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 2c44_1_D DATA FIRST_RESID 5 DATA SEQUENCE KHLPEPFRIR VIEPVKRTTR AYREEAIIKS GMNPFLLDSE DVFIDLLTDS DATA SEQUENCE GTGAVTQSMQ AAMMRGDEAY SGSRSYYALA ESVKNIFGYQ YTIPTHQGRG DATA SEQUENCE AEQIYIPVLI KKREQEKGLD RSKMVAFSNY FFDTTQGHSQ INGCTVRNVY DATA SEQUENCE IKEAFDTGVR YDFKGNFDLE GLERGIEEVG PNNVPYIVAT ITSNSAGGQP DATA SEQUENCE VSLANLKAMY SIAKKYDIPV VMDSARFAEN AYFIKQREAE YKDWTIEQIT DATA SEQUENCE RETYKYADML AMSAKKDAMV PMGGLLCMKD DSFFDVYTEC RTLCVVQEGF DATA SEQUENCE PTYGGLEGGA MERLAVGLYD GMNLDWLAYR IAQVQYLVDG LEEIGVVCQQ DATA SEQUENCE AGGHAAFVDA GKLLPHIPAD QFPAQALACE LYKVAGIRAV EIGSFLLGRD DATA SEQUENCE PKTGKQLPCP AELLRLTIPR ATYTQTHMDF IIEAFKHVKE NASNIKGLTF DATA SEQUENCE TYEPKVLRHF TAKLKEV 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.674 176.600 0.123 0.000 0.988 5 K CA 0.000 56.378 56.287 0.152 0.000 0.838 5 K CB 0.000 32.558 32.500 0.097 0.000 1.064 6 H N 2.963 122.004 119.070 -0.050 0.000 2.878 6 H HA 0.403 4.959 4.556 -0.000 0.000 0.290 6 H C -0.012 175.249 175.328 -0.111 0.000 1.065 6 H CA -0.246 55.664 56.048 -0.231 0.000 1.477 6 H CB 0.012 29.363 29.762 -0.685 0.000 1.484 6 H HN 0.519 nan 8.280 nan 0.000 0.504 7 L N 7.774 129.017 121.223 0.032 0.000 2.467 7 L HA 0.167 4.507 4.340 -0.000 0.000 0.270 7 L C -1.692 175.377 176.870 0.331 0.000 1.205 7 L CA -1.760 53.171 54.840 0.152 0.000 0.828 7 L CB 0.401 42.534 42.059 0.124 0.000 1.101 7 L HN 0.536 nan 8.230 nan 0.000 0.479 8 P HA 0.115 nan 4.420 nan 0.000 0.279 8 P C -1.033 176.225 177.300 -0.071 0.000 1.239 8 P CA -0.578 62.564 63.100 0.070 0.000 0.789 8 P CB 0.779 32.473 31.700 -0.009 0.000 0.933 9 E N 3.993 123.976 120.200 -0.360 0.000 2.493 9 E HA 0.023 4.373 4.350 -0.000 0.000 0.255 9 E C -1.478 174.628 176.600 -0.822 0.000 0.999 9 E CA -0.834 54.898 56.400 -1.114 0.000 0.934 9 E CB -0.302 28.449 29.700 -1.583 0.000 0.940 9 E HN 0.353 nan 8.360 nan 0.000 0.473 10 P HA 0.086 nan 4.420 nan 0.000 0.235 10 P C -1.157 176.105 177.300 -0.064 0.000 1.725 10 P CA -0.009 62.978 63.100 -0.189 0.000 0.894 10 P CB -0.591 31.123 31.700 0.024 0.000 1.704 11 F N -2.718 117.166 119.950 -0.109 0.000 2.770 11 F HA 0.555 5.082 4.527 -0.000 0.000 0.313 11 F C -1.132 174.621 175.800 -0.079 0.000 1.154 11 F CA -1.671 56.276 58.000 -0.090 0.000 0.923 11 F CB 0.925 39.858 39.000 -0.113 0.000 1.301 11 F HN -0.368 nan 8.300 nan 0.000 0.449 12 R N 1.504 122.149 120.500 0.241 0.000 2.532 12 R HA 0.682 5.022 4.340 -0.000 0.000 0.295 12 R C -0.892 175.546 176.300 0.229 0.000 0.968 12 R CA -1.017 55.173 56.100 0.149 0.000 0.916 12 R CB 2.207 32.546 30.300 0.064 0.000 1.124 12 R HN 0.671 nan 8.270 nan 0.000 0.463 13 I N 2.869 123.549 120.570 0.182 0.000 2.533 13 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 13 I C 1.263 177.415 176.117 0.059 0.000 1.109 13 I CA 0.290 61.671 61.300 0.135 0.000 1.412 13 I CB 0.825 38.898 38.000 0.122 0.000 1.396 13 I HN 0.479 nan 8.210 nan 0.000 0.543 14 R N 3.935 124.447 120.500 0.020 0.000 2.191 14 R HA 0.321 4.661 4.340 -0.000 0.000 0.196 14 R C -0.649 175.648 176.300 -0.005 0.000 0.991 14 R CA 0.531 56.632 56.100 0.002 0.000 1.075 14 R CB 0.640 30.931 30.300 -0.016 0.000 1.040 14 R HN 0.463 nan 8.270 nan 0.000 0.526 15 V N 2.293 122.199 119.914 -0.015 0.000 2.686 15 V HA 0.458 4.578 4.120 -0.000 0.000 0.306 15 V C -0.561 175.525 176.094 -0.012 0.000 1.065 15 V CA -1.055 61.237 62.300 -0.014 0.000 0.894 15 V CB 2.165 33.973 31.823 -0.025 0.000 1.004 15 V HN 0.174 nan 8.190 nan 0.000 0.424 16 I N 0.493 121.063 120.570 -0.000 0.000 2.785 16 I HA 0.810 4.980 4.170 -0.000 0.000 0.302 16 I C -0.610 175.510 176.117 0.006 0.000 1.069 16 I CA -0.648 60.656 61.300 0.005 0.000 1.045 16 I CB 2.421 40.437 38.000 0.026 0.000 1.236 16 I HN 0.765 nan 8.210 nan 0.000 0.429 17 E N 5.094 125.298 120.200 0.006 0.000 2.182 17 E HA 0.530 4.880 4.350 -0.000 0.000 0.258 17 E C -2.535 174.086 176.600 0.034 0.000 0.879 17 E CA -1.841 54.566 56.400 0.013 0.000 0.754 17 E CB 1.368 31.068 29.700 0.001 0.000 1.162 17 E HN 0.543 nan 8.360 nan 0.000 0.419 18 P HA 0.039 nan 4.420 nan 0.000 0.269 18 P C -1.049 176.294 177.300 0.072 0.000 1.209 18 P CA -0.351 62.783 63.100 0.057 0.000 0.776 18 P CB 0.772 32.497 31.700 0.041 0.000 0.876 19 V N -2.505 117.473 119.914 0.106 0.000 2.962 19 V HA 0.938 5.058 4.120 -0.000 0.000 0.313 19 V C -0.267 175.890 176.094 0.105 0.000 1.099 19 V CA -0.993 61.387 62.300 0.133 0.000 0.971 19 V CB 1.185 33.141 31.823 0.221 0.000 1.028 19 V HN 0.596 nan 8.190 nan 0.000 0.430 20 K N 2.043 122.484 120.400 0.068 0.000 2.288 20 K HA 0.948 5.268 4.320 -0.000 0.000 0.234 20 K C -0.195 176.359 176.600 -0.076 0.000 1.037 20 K CA -1.023 55.254 56.287 -0.016 0.000 0.914 20 K CB 0.947 33.426 32.500 -0.035 0.000 1.197 20 K HN 0.886 nan 8.250 nan 0.000 0.471 21 R N -0.364 120.034 120.500 -0.169 0.000 2.923 21 R HA 0.723 5.063 4.340 -0.000 0.000 0.252 21 R C -0.234 175.953 176.300 -0.188 0.000 1.130 21 R CA -0.275 55.678 56.100 -0.247 0.000 1.043 21 R CB 1.526 31.619 30.300 -0.346 0.000 1.205 21 R HN 1.054 nan 8.270 nan 0.000 0.495 22 T N -3.251 111.200 114.554 -0.173 0.000 2.812 22 T HA 0.495 4.845 4.350 -0.000 0.000 0.294 22 T C -0.103 174.533 174.700 -0.106 0.000 1.159 22 T CA -0.769 61.220 62.100 -0.184 0.000 1.008 22 T CB 1.599 70.350 68.868 -0.196 0.000 1.289 22 T HN 0.577 nan 8.240 nan 0.000 0.514 23 T N -1.216 113.309 114.554 -0.049 0.000 2.934 23 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 23 T C 1.173 175.885 174.700 0.019 0.000 1.005 23 T CA -0.760 61.335 62.100 -0.009 0.000 1.041 23 T CB 1.812 70.693 68.868 0.021 0.000 1.042 23 T HN 0.783 nan 8.240 nan 0.000 0.505 24 R N 1.724 122.210 120.500 -0.022 0.000 2.091 24 R HA -0.025 4.315 4.340 -0.000 0.000 0.238 24 R C 2.430 178.728 176.300 -0.002 0.000 1.136 24 R CA 2.289 58.364 56.100 -0.043 0.000 0.959 24 R CB -1.423 28.840 30.300 -0.061 0.000 0.856 24 R HN 0.845 nan 8.270 nan 0.000 0.437 25 A N -0.420 122.413 122.820 0.021 0.000 1.883 25 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 25 A C 2.236 179.850 177.584 0.049 0.000 1.186 25 A CA 1.666 53.719 52.037 0.027 0.000 0.624 25 A CB -1.127 17.892 19.000 0.032 0.000 0.822 25 A HN 0.612 nan 8.150 nan 0.000 0.444 26 Y N 0.384 120.675 120.300 -0.015 0.000 2.145 26 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 26 Y C 2.550 178.469 175.900 0.031 0.000 1.145 26 Y CA 2.154 60.259 58.100 0.008 0.000 1.148 26 Y CB -0.302 38.162 38.460 0.007 0.000 0.981 26 Y HN 0.257 nan 8.280 nan 0.000 0.507 27 R N -0.100 120.517 120.500 0.196 0.000 2.081 27 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 27 R C 2.580 178.932 176.300 0.086 0.000 1.131 27 R CA 1.732 57.908 56.100 0.125 0.000 0.960 27 R CB -0.690 29.477 30.300 -0.223 0.000 0.856 27 R HN 0.565 nan 8.270 nan 0.000 0.436 28 E N 0.979 121.186 120.200 0.012 0.000 2.049 28 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 28 E C 2.062 178.654 176.600 -0.014 0.000 1.007 28 E CA 2.022 58.425 56.400 0.006 0.000 0.809 28 E CB -1.121 28.572 29.700 -0.012 0.000 0.749 28 E HN 0.700 nan 8.360 nan 0.000 0.450 29 E N 0.268 120.422 120.200 -0.076 0.000 2.051 29 E HA 0.145 4.495 4.350 -0.000 0.000 0.192 29 E C 2.585 179.114 176.600 -0.118 0.000 0.991 29 E CA 2.211 58.541 56.400 -0.118 0.000 0.799 29 E CB -1.059 28.522 29.700 -0.198 0.000 0.748 29 E HN 0.994 nan 8.360 nan 0.000 0.449 30 A N 0.297 123.018 122.820 -0.165 0.000 1.883 30 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 30 A C 2.473 180.072 177.584 0.025 0.000 1.186 30 A CA 1.839 53.831 52.037 -0.076 0.000 0.624 30 A CB -0.460 18.552 19.000 0.020 0.000 0.822 30 A HN 0.586 nan 8.150 nan 0.000 0.444 31 I N 0.064 120.698 120.570 0.107 0.000 2.361 31 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 31 I C 2.504 178.637 176.117 0.026 0.000 1.133 31 I CA 1.402 62.748 61.300 0.077 0.000 1.413 31 I CB -0.238 37.865 38.000 0.172 0.000 1.073 31 I HN 0.366 nan 8.210 nan 0.000 0.424 32 I N 0.102 120.681 120.570 0.016 0.000 2.233 32 I HA -0.126 4.044 4.170 -0.000 0.000 0.243 32 I C 2.706 178.824 176.117 0.002 0.000 1.093 32 I CA 2.213 63.516 61.300 0.005 0.000 1.380 32 I CB -2.145 35.853 38.000 -0.003 0.000 1.067 32 I HN 0.323 nan 8.210 nan 0.000 0.413 33 K N 1.090 121.483 120.400 -0.011 0.000 2.211 33 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 33 K C 2.119 178.724 176.600 0.007 0.000 1.047 33 K CA 1.940 58.221 56.287 -0.010 0.000 0.935 33 K CB -1.478 31.004 32.500 -0.030 0.000 0.728 33 K HN 1.269 nan 8.250 nan 0.000 0.452 34 S N -1.308 114.398 115.700 0.009 0.000 2.634 34 S HA 0.390 4.860 4.470 -0.000 0.000 0.221 34 S C 1.468 176.094 174.600 0.043 0.000 0.952 34 S CA 0.655 58.869 58.200 0.023 0.000 0.930 34 S CB -0.556 62.642 63.200 -0.005 0.000 0.780 34 S HN 1.603 nan 8.310 nan 0.000 0.498 35 G N 2.158 110.981 108.800 0.039 0.000 2.249 35 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 35 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 35 G C 0.544 175.457 174.900 0.023 0.000 1.036 35 G CA 0.147 45.278 45.100 0.052 0.000 0.824 35 G HN 0.696 nan 8.290 nan 0.000 0.504 36 M N -1.695 117.905 119.600 -0.001 0.000 2.576 36 M HA -0.157 4.323 4.480 -0.000 0.000 0.200 36 M C 0.094 176.357 176.300 -0.061 0.000 0.487 36 M CA 1.480 56.759 55.300 -0.036 0.000 0.553 36 M CB -2.415 30.148 32.600 -0.061 0.000 2.042 36 M HN 0.762 nan 8.290 nan 0.000 0.758 37 N N 0.311 119.007 118.700 -0.007 0.000 2.573 37 N HA 0.429 5.169 4.740 -0.000 0.000 0.262 37 N C -1.992 173.546 175.510 0.045 0.000 1.029 37 N CA -1.773 51.305 53.050 0.048 0.000 0.882 37 N CB 1.652 40.240 38.487 0.169 0.000 1.204 37 N HN -0.168 nan 8.380 nan 0.000 0.519 38 P HA -0.100 nan 4.420 nan 0.000 0.217 38 P C 1.021 178.271 177.300 -0.082 0.000 1.148 38 P CA 1.181 64.188 63.100 -0.155 0.000 0.834 38 P CB 0.027 31.601 31.700 -0.210 0.000 0.783 39 F N -1.273 118.702 119.950 0.042 0.000 2.307 39 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 39 F C 1.805 177.652 175.800 0.078 0.000 1.076 39 F CA 0.962 59.021 58.000 0.098 0.000 1.383 39 F CB -0.435 38.666 39.000 0.169 0.000 1.055 39 F HN -0.122 nan 8.300 nan 0.000 0.526 40 L N -0.350 121.007 121.223 0.223 0.000 2.607 40 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 40 L C 0.297 177.206 176.870 0.064 0.000 1.123 40 L CA -0.192 54.734 54.840 0.145 0.000 0.890 40 L CB -0.298 41.841 42.059 0.133 0.000 1.103 40 L HN -0.010 nan 8.230 nan 0.000 0.468 41 L N -0.025 121.200 121.223 0.004 0.000 2.436 41 L HA 0.167 4.507 4.340 -0.000 0.000 0.265 41 L C -0.002 176.880 176.870 0.021 0.000 1.168 41 L CA -0.389 54.425 54.840 -0.044 0.000 0.815 41 L CB 0.574 42.501 42.059 -0.221 0.000 1.109 41 L HN -0.016 nan 8.230 nan 0.000 0.462 42 D N 0.250 120.684 120.400 0.057 0.000 2.345 42 D HA 0.025 4.665 4.640 -0.000 0.000 0.247 42 D C 0.881 177.232 176.300 0.085 0.000 1.108 42 D CA 0.067 54.116 54.000 0.081 0.000 0.894 42 D CB 1.773 42.636 40.800 0.104 0.000 1.203 42 D HN 0.490 nan 8.370 nan 0.000 0.430 43 S N 1.853 117.601 115.700 0.080 0.000 2.365 43 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 43 S C 1.270 175.930 174.600 0.100 0.000 1.039 43 S CA 1.451 59.702 58.200 0.084 0.000 1.033 43 S CB -0.090 63.155 63.200 0.076 0.000 0.887 43 S HN 0.469 nan 8.310 nan 0.000 0.447 44 E N 0.073 120.327 120.200 0.091 0.000 2.472 44 E HA -0.088 4.262 4.350 -0.000 0.000 0.200 44 E C 0.484 177.142 176.600 0.096 0.000 1.046 44 E CA 0.749 57.199 56.400 0.083 0.000 0.871 44 E CB -0.084 29.651 29.700 0.058 0.000 0.806 44 E HN 0.553 nan 8.360 nan 0.000 0.533 45 D N 0.163 120.653 120.400 0.150 0.000 2.342 45 D HA 0.045 4.685 4.640 -0.000 0.000 0.221 45 D C -0.427 176.067 176.300 0.324 0.000 1.101 45 D CA 0.223 54.362 54.000 0.231 0.000 0.837 45 D CB 0.748 41.770 40.800 0.371 0.000 0.938 45 D HN -0.095 nan 8.370 nan 0.000 0.508 46 V N 1.552 121.615 119.914 0.250 0.000 2.487 46 V HA 0.217 4.337 4.120 -0.000 0.000 0.298 46 V C 0.610 176.866 176.094 0.272 0.000 1.028 46 V CA -0.854 61.621 62.300 0.291 0.000 0.860 46 V CB 2.083 34.021 31.823 0.191 0.000 0.991 46 V HN 0.011 nan 8.190 nan 0.000 0.427 47 F N 4.678 124.677 119.950 0.082 0.000 2.123 47 F HA 0.336 4.863 4.527 -0.000 0.000 0.289 47 F C 0.745 176.530 175.800 -0.026 0.000 1.099 47 F CA 0.924 58.928 58.000 0.006 0.000 1.234 47 F CB 0.522 39.497 39.000 -0.042 0.000 1.034 47 F HN 0.276 nan 8.300 nan 0.000 0.479 48 I N 1.601 122.017 120.570 -0.256 0.000 2.420 48 I HA 0.142 4.312 4.170 -0.000 0.000 0.282 48 I C -1.300 174.699 176.117 -0.197 0.000 1.019 48 I CA -0.674 60.294 61.300 -0.552 0.000 1.130 48 I CB 1.121 38.625 38.000 -0.826 0.000 1.262 48 I HN -0.031 nan 8.210 nan 0.000 0.454 49 D N 7.532 127.927 120.400 -0.009 0.000 2.422 49 D HA 0.243 4.883 4.640 -0.000 0.000 0.227 49 D C 0.415 176.760 176.300 0.074 0.000 1.190 49 D CA 0.006 54.043 54.000 0.062 0.000 0.905 49 D CB 0.834 41.700 40.800 0.111 0.000 1.034 49 D HN 0.452 nan 8.370 nan 0.000 0.507 50 L N 4.064 125.290 121.223 0.005 0.000 2.791 50 L HA 0.095 4.435 4.340 -0.000 0.000 0.239 50 L C 1.803 178.662 176.870 -0.018 0.000 1.203 50 L CA -0.332 54.513 54.840 0.010 0.000 1.002 50 L CB 0.120 42.163 42.059 -0.028 0.000 1.295 50 L HN 0.314 nan 8.230 nan 0.000 0.504 51 L N -0.177 121.027 121.223 -0.033 0.000 2.042 51 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 51 L C 0.970 177.830 176.870 -0.017 0.000 1.076 51 L CA 1.925 56.702 54.840 -0.106 0.000 0.749 51 L CB -0.010 41.962 42.059 -0.145 0.000 0.893 51 L HN 0.411 nan 8.230 nan 0.000 0.432 52 T N -2.825 111.770 114.554 0.067 0.000 2.775 52 T HA 0.202 4.552 4.350 -0.000 0.000 0.320 52 T C -0.656 174.137 174.700 0.155 0.000 1.597 52 T CA -0.092 62.091 62.100 0.138 0.000 1.022 52 T CB 0.724 69.717 68.868 0.208 0.000 1.485 52 T HN 0.355 nan 8.240 nan 0.000 0.494 53 D N 0.811 121.326 120.400 0.191 0.000 2.349 53 D HA 0.152 4.792 4.640 -0.000 0.000 0.214 53 D C 0.623 177.023 176.300 0.167 0.000 1.063 53 D CA -0.153 53.957 54.000 0.184 0.000 0.847 53 D CB 0.215 41.153 40.800 0.231 0.000 0.933 53 D HN 0.270 nan 8.370 nan 0.000 0.513 54 S N 0.189 115.995 115.700 0.176 0.000 2.405 54 S HA 0.426 4.896 4.470 -0.000 0.000 0.291 54 S C 1.330 176.010 174.600 0.133 0.000 1.137 54 S CA 0.374 58.672 58.200 0.165 0.000 1.061 54 S CB -0.538 62.782 63.200 0.200 0.000 1.001 54 S HN 0.534 nan 8.310 nan 0.000 0.507 55 G N 3.739 112.604 108.800 0.107 0.000 2.153 55 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 55 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 55 G C 0.606 175.546 174.900 0.067 0.000 0.994 55 G CA 0.832 45.981 45.100 0.082 0.000 0.698 55 G HN 1.116 nan 8.290 nan 0.000 0.521 56 T N -2.599 111.997 114.554 0.070 0.000 3.044 56 T HA 0.550 4.900 4.350 -0.000 0.000 0.260 56 T C 1.439 176.143 174.700 0.007 0.000 1.019 56 T CA 1.029 63.157 62.100 0.046 0.000 0.921 56 T CB 1.046 69.956 68.868 0.070 0.000 1.053 56 T HN 1.228 nan 8.240 nan 0.000 0.533 57 G N 1.132 109.943 108.800 0.018 0.000 2.563 57 G HA2 0.623 4.583 3.960 -0.000 0.000 0.283 57 G HA3 0.623 4.583 3.960 -0.000 0.000 0.283 57 G C 0.023 174.884 174.900 -0.066 0.000 1.309 57 G CA -0.441 44.651 45.100 -0.014 0.000 1.022 57 G HN 0.610 nan 8.290 nan 0.000 0.501 58 A N -1.481 121.269 122.820 -0.116 0.000 2.257 58 A HA 0.701 5.021 4.320 -0.000 0.000 0.289 58 A C 0.352 177.815 177.584 -0.202 0.000 1.095 58 A CA 0.121 52.056 52.037 -0.169 0.000 0.836 58 A CB 0.810 19.670 19.000 -0.233 0.000 1.111 58 A HN 1.805 nan 8.150 nan 0.000 0.497 59 V N -1.936 117.860 119.914 -0.196 0.000 3.113 59 V HA 0.887 5.007 4.120 -0.000 0.000 0.316 59 V C 0.186 176.139 176.094 -0.235 0.000 1.125 59 V CA -0.065 62.119 62.300 -0.193 0.000 1.026 59 V CB 1.180 32.933 31.823 -0.116 0.000 1.080 59 V HN 1.262 nan 8.190 nan 0.000 0.444 60 T N -1.264 113.160 114.554 -0.216 0.000 2.912 60 T HA 0.398 4.748 4.350 -0.000 0.000 0.280 60 T C 0.801 175.425 174.700 -0.126 0.000 0.989 60 T CA -0.182 61.795 62.100 -0.204 0.000 0.995 60 T CB 1.477 70.224 68.868 -0.202 0.000 1.077 60 T HN 0.756 nan 8.240 nan 0.000 0.531 61 Q N 0.483 120.222 119.800 -0.102 0.000 2.061 61 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 61 Q C 2.641 178.609 176.000 -0.054 0.000 0.984 61 Q CA 1.887 57.650 55.803 -0.067 0.000 0.846 61 Q CB -0.446 28.262 28.738 -0.051 0.000 0.902 61 Q HN 0.760 nan 8.270 nan 0.000 0.421 62 S N 0.692 116.359 115.700 -0.054 0.000 2.383 62 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 62 S C 1.923 176.504 174.600 -0.032 0.000 1.030 62 S CA 1.308 59.484 58.200 -0.039 0.000 1.002 62 S CB -0.165 63.013 63.200 -0.038 0.000 0.829 62 S HN 0.325 nan 8.310 nan 0.000 0.467 63 M N 0.782 120.355 119.600 -0.045 0.000 2.099 63 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 63 M C 2.572 178.855 176.300 -0.028 0.000 1.067 63 M CA 1.348 56.628 55.300 -0.034 0.000 1.124 63 M CB -0.457 32.111 32.600 -0.054 0.000 1.353 63 M HN 0.332 nan 8.290 nan 0.000 0.410 64 Q N 0.356 120.132 119.800 -0.040 0.000 2.124 64 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 64 Q C 2.009 177.997 176.000 -0.020 0.000 0.977 64 Q CA 1.682 57.466 55.803 -0.031 0.000 0.850 64 Q CB -0.023 28.691 28.738 -0.039 0.000 0.901 64 Q HN 0.527 nan 8.270 nan 0.000 0.429 65 A N 0.578 123.385 122.820 -0.021 0.000 1.898 65 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 65 A C 2.260 179.840 177.584 -0.006 0.000 1.181 65 A CA 1.513 53.542 52.037 -0.013 0.000 0.620 65 A CB -0.911 18.080 19.000 -0.016 0.000 0.819 65 A HN 0.530 nan 8.150 nan 0.000 0.442 66 A N -1.013 121.805 122.820 -0.003 0.000 1.933 66 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 66 A C 2.122 179.713 177.584 0.011 0.000 1.175 66 A CA 2.162 54.204 52.037 0.007 0.000 0.628 66 A CB -0.494 18.514 19.000 0.013 0.000 0.814 66 A HN 0.530 nan 8.150 nan 0.000 0.444 67 M N -0.943 118.661 119.600 0.006 0.000 2.435 67 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 67 M C 1.402 177.707 176.300 0.008 0.000 1.065 67 M CA 1.362 56.667 55.300 0.009 0.000 1.076 67 M CB -0.356 32.246 32.600 0.003 0.000 1.403 67 M HN 0.296 nan 8.290 nan 0.000 0.454 68 M N -0.082 119.521 119.600 0.005 0.000 2.541 68 M HA 0.092 4.572 4.480 -0.000 0.000 0.252 68 M C 0.531 176.836 176.300 0.008 0.000 1.125 68 M CA 0.725 56.028 55.300 0.005 0.000 1.091 68 M CB -0.630 31.971 32.600 0.001 0.000 1.420 68 M HN 0.325 nan 8.290 nan 0.000 0.486 69 R N -0.105 120.403 120.500 0.013 0.000 2.834 69 R HA 0.576 4.916 4.340 -0.000 0.000 0.362 69 R C 0.205 176.520 176.300 0.025 0.000 1.147 69 R CA -0.243 55.867 56.100 0.017 0.000 1.125 69 R CB -0.353 29.957 30.300 0.016 0.000 1.361 69 R HN 0.032 nan 8.270 nan 0.000 0.598 70 G N 0.397 109.212 108.800 0.025 0.000 2.420 70 G HA2 0.135 4.095 3.960 -0.000 0.000 0.284 70 G HA3 0.135 4.095 3.960 -0.000 0.000 0.284 70 G C -1.100 173.820 174.900 0.034 0.000 1.177 70 G CA -0.349 44.772 45.100 0.034 0.000 0.841 70 G HN 0.297 nan 8.290 nan 0.000 0.527 71 D N 0.955 121.383 120.400 0.047 0.000 2.428 71 D HA 0.161 4.801 4.640 -0.000 0.000 0.221 71 D C 0.764 177.085 176.300 0.034 0.000 1.123 71 D CA -0.533 53.495 54.000 0.047 0.000 0.869 71 D CB 0.960 41.804 40.800 0.074 0.000 1.032 71 D HN 0.201 nan 8.370 nan 0.000 0.506 72 E N 1.997 122.203 120.200 0.011 0.000 2.438 72 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 72 E C 0.437 177.020 176.600 -0.029 0.000 1.110 72 E CA -0.103 56.285 56.400 -0.021 0.000 0.893 72 E CB -0.312 29.371 29.700 -0.028 0.000 0.990 72 E HN 0.522 nan 8.360 nan 0.000 0.490 73 A N 0.404 123.227 122.820 0.005 0.000 2.555 73 A HA -0.087 4.233 4.320 -0.000 0.000 0.233 73 A C 0.804 178.389 177.584 0.002 0.000 1.060 73 A CA -0.044 52.005 52.037 0.020 0.000 0.759 73 A CB 0.115 19.140 19.000 0.043 0.000 0.995 73 A HN 0.312 nan 8.150 nan 0.000 0.506 74 Y N 1.587 121.819 120.300 -0.113 0.000 2.337 74 Y HA 0.084 4.634 4.550 -0.000 0.000 0.293 74 Y C 0.760 176.613 175.900 -0.079 0.000 1.123 74 Y CA 1.740 59.763 58.100 -0.129 0.000 1.201 74 Y CB 0.309 38.682 38.460 -0.146 0.000 1.011 74 Y HN 0.517 nan 8.280 nan 0.000 0.545 75 S N -1.258 114.387 115.700 -0.090 0.000 2.541 75 S HA 0.491 4.961 4.470 -0.000 0.000 0.280 75 S C 0.097 174.680 174.600 -0.027 0.000 1.112 75 S CA -0.505 57.560 58.200 -0.226 0.000 0.925 75 S CB 1.536 64.444 63.200 -0.487 0.000 1.067 75 S HN 0.596 nan 8.310 nan 0.000 0.479 76 G N 1.885 110.695 108.800 0.016 0.000 2.249 76 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.273 76 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.273 76 G C 0.187 175.185 174.900 0.164 0.000 1.036 76 G CA 0.575 45.733 45.100 0.098 0.000 0.824 76 G HN 0.939 nan 8.290 nan 0.000 0.504 77 S N -0.676 115.086 115.700 0.103 0.000 2.552 77 S HA 0.282 4.752 4.470 -0.000 0.000 0.289 77 S C 2.063 176.811 174.600 0.246 0.000 1.304 77 S CA 0.672 58.963 58.200 0.152 0.000 1.063 77 S CB 0.393 63.668 63.200 0.125 0.000 0.848 77 S HN 0.830 nan 8.310 nan 0.000 0.499 78 R N 3.087 123.742 120.500 0.257 0.000 2.189 78 R HA 0.017 4.357 4.340 -0.000 0.000 0.223 78 R C 1.928 178.369 176.300 0.234 0.000 1.092 78 R CA 1.592 57.882 56.100 0.317 0.000 0.989 78 R CB -0.645 29.774 30.300 0.199 0.000 0.876 78 R HN 0.484 nan 8.270 nan 0.000 0.457 79 S N 0.538 116.339 115.700 0.168 0.000 2.402 79 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 79 S C 1.415 176.084 174.600 0.116 0.000 1.021 79 S CA 0.937 59.211 58.200 0.124 0.000 0.974 79 S CB -0.382 62.880 63.200 0.103 0.000 0.800 79 S HN 0.514 nan 8.310 nan 0.000 0.484 80 Y N 1.331 121.630 120.300 -0.002 0.000 2.145 80 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 80 Y C 1.836 177.676 175.900 -0.100 0.000 1.145 80 Y CA 1.347 59.393 58.100 -0.090 0.000 1.148 80 Y CB -0.660 37.672 38.460 -0.214 0.000 0.981 80 Y HN 0.197 nan 8.280 nan 0.000 0.507 81 Y N 0.170 120.444 120.300 -0.044 0.000 2.274 81 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 81 Y C 2.679 178.503 175.900 -0.127 0.000 1.145 81 Y CA 1.036 59.052 58.100 -0.141 0.000 1.203 81 Y CB -1.131 37.355 38.460 0.045 0.000 0.984 81 Y HN 0.290 nan 8.280 nan 0.000 0.533 82 A N -0.286 122.581 122.820 0.079 0.000 1.877 82 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 82 A C 2.201 179.783 177.584 -0.003 0.000 1.186 82 A CA 1.621 53.689 52.037 0.052 0.000 0.620 82 A CB -1.051 17.987 19.000 0.064 0.000 0.822 82 A HN 0.389 nan 8.150 nan 0.000 0.443 83 L N -0.133 121.053 121.223 -0.062 0.000 2.017 83 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 83 L C 2.685 179.470 176.870 -0.142 0.000 1.073 83 L CA 2.245 57.034 54.840 -0.086 0.000 0.745 83 L CB -0.938 41.068 42.059 -0.088 0.000 0.894 83 L HN 0.348 nan 8.230 nan 0.000 0.432 84 A N -0.807 121.843 122.820 -0.283 0.000 1.908 84 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 84 A C 2.258 179.780 177.584 -0.102 0.000 1.181 84 A CA 1.860 53.744 52.037 -0.255 0.000 0.627 84 A CB -0.749 18.003 19.000 -0.413 0.000 0.818 84 A HN 0.548 nan 8.150 nan 0.000 0.445 85 E N 0.255 120.425 120.200 -0.049 0.000 2.110 85 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 85 E C 2.201 178.807 176.600 0.010 0.000 0.988 85 E CA 1.572 57.971 56.400 -0.002 0.000 0.804 85 E CB -0.382 29.335 29.700 0.029 0.000 0.745 85 E HN 0.482 nan 8.360 nan 0.000 0.458 86 S N -0.806 114.902 115.700 0.013 0.000 2.368 86 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 86 S C 1.988 176.502 174.600 -0.144 0.000 1.030 86 S CA 1.120 59.307 58.200 -0.022 0.000 0.999 86 S CB -0.270 62.904 63.200 -0.044 0.000 0.844 86 S HN 0.165 nan 8.310 nan 0.000 0.459 87 V N 2.083 121.950 119.914 -0.079 0.000 2.343 87 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 87 V C 2.867 178.952 176.094 -0.016 0.000 1.051 87 V CA 2.223 64.521 62.300 -0.004 0.000 1.036 87 V CB -1.165 30.650 31.823 -0.012 0.000 0.654 87 V HN 0.652 nan 8.190 nan 0.000 0.451 88 K N 0.149 120.533 120.400 -0.028 0.000 2.057 88 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 88 K C 1.843 178.422 176.600 -0.035 0.000 1.049 88 K CA 1.901 58.178 56.287 -0.016 0.000 0.931 88 K CB -0.915 31.568 32.500 -0.030 0.000 0.714 88 K HN 0.592 nan 8.250 nan 0.000 0.440 89 N N 0.105 118.775 118.700 -0.049 0.000 2.171 89 N HA 0.030 4.770 4.740 -0.000 0.000 0.184 89 N C 1.887 177.314 175.510 -0.139 0.000 1.021 89 N CA 1.533 54.560 53.050 -0.039 0.000 0.854 89 N CB -0.031 38.498 38.487 0.070 0.000 0.994 89 N HN 0.515 nan 8.380 nan 0.000 0.426 90 I N -0.603 119.763 120.570 -0.340 0.000 2.296 90 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 90 I C 1.116 176.760 176.117 -0.789 0.000 1.087 90 I CA 0.977 61.882 61.300 -0.658 0.000 1.393 90 I CB -0.093 37.231 38.000 -1.128 0.000 1.093 90 I HN -0.068 nan 8.210 nan 0.000 0.421 91 F N 0.333 120.032 119.950 -0.419 0.000 2.714 91 F HA 0.333 4.860 4.527 -0.000 0.000 0.294 91 F C 1.797 177.481 175.800 -0.193 0.000 1.120 91 F CA 0.443 58.099 58.000 -0.574 0.000 1.398 91 F CB -0.284 38.025 39.000 -1.152 0.000 1.120 91 F HN 0.149 nan 8.300 nan 0.000 0.589 92 G N -0.302 108.539 108.800 0.067 0.000 2.143 92 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 92 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 92 G C -0.319 174.772 174.900 0.317 0.000 0.991 92 G CA -0.354 44.839 45.100 0.155 0.000 0.689 92 G HN 0.211 nan 8.290 nan 0.000 0.522 93 Y N -0.286 119.998 120.300 -0.025 0.000 2.313 93 Y HA 0.592 5.142 4.550 -0.000 0.000 0.332 93 Y C 1.412 177.243 175.900 -0.116 0.000 1.071 93 Y CA -0.353 57.715 58.100 -0.053 0.000 1.169 93 Y CB 1.186 39.609 38.460 -0.062 0.000 1.192 93 Y HN 0.353 nan 8.280 nan 0.000 0.487 94 Q N 2.606 122.346 119.800 -0.100 0.000 2.331 94 Q HA 0.064 4.404 4.340 -0.000 0.000 0.203 94 Q C -0.685 174.928 176.000 -0.646 0.000 0.944 94 Q CA 1.132 56.699 55.803 -0.393 0.000 0.892 94 Q CB -0.246 28.143 28.738 -0.582 0.000 0.983 94 Q HN 0.671 nan 8.270 nan 0.000 0.482 95 Y N -0.081 120.157 120.300 -0.103 0.000 2.328 95 Y HA 0.584 5.134 4.550 -0.000 0.000 0.336 95 Y C -0.098 175.791 175.900 -0.017 0.000 0.960 95 Y CA -0.976 56.975 58.100 -0.248 0.000 1.134 95 Y CB 2.412 40.498 38.460 -0.623 0.000 1.166 95 Y HN -0.028 nan 8.280 nan 0.000 0.464 96 T N 5.284 119.971 114.554 0.222 0.000 2.861 96 T HA 0.673 5.023 4.350 -0.000 0.000 0.287 96 T C -0.692 174.237 174.700 0.383 0.000 1.003 96 T CA -0.600 61.632 62.100 0.220 0.000 0.977 96 T CB 0.888 69.770 68.868 0.024 0.000 0.996 96 T HN 0.395 nan 8.240 nan 0.000 0.448 97 I N 5.172 125.889 120.570 0.246 0.000 2.468 97 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 97 I C -2.410 173.755 176.117 0.080 0.000 1.039 97 I CA -2.455 58.944 61.300 0.164 0.000 1.074 97 I CB 2.740 40.766 38.000 0.044 0.000 1.228 97 I HN 0.319 nan 8.210 nan 0.000 0.436 98 P HA 0.275 nan 4.420 nan 0.000 0.277 98 P C -0.688 176.608 177.300 -0.007 0.000 1.240 98 P CA -0.075 63.055 63.100 0.050 0.000 0.798 98 P CB 1.590 33.357 31.700 0.111 0.000 0.979 99 T N -2.650 111.899 114.554 -0.009 0.000 2.896 99 T HA 0.282 4.632 4.350 -0.000 0.000 0.297 99 T C 1.406 176.116 174.700 0.017 0.000 1.108 99 T CA -0.509 61.580 62.100 -0.018 0.000 1.004 99 T CB 0.868 69.691 68.868 -0.075 0.000 1.159 99 T HN 0.589 nan 8.240 nan 0.000 0.499 100 H N 0.778 119.845 119.070 -0.004 0.000 2.423 100 H HA 0.041 4.597 4.556 -0.000 0.000 0.297 100 H C 0.436 175.774 175.328 0.017 0.000 1.075 100 H CA 1.177 57.237 56.048 0.020 0.000 1.342 100 H CB 0.301 30.080 29.762 0.028 0.000 1.395 100 H HN 0.902 nan 8.280 nan 0.000 0.530 101 Q N -2.066 117.408 119.800 -0.543 0.000 2.854 101 Q HA 0.355 4.695 4.340 -0.000 0.000 0.328 101 Q C 0.903 176.729 176.000 -0.291 0.000 0.808 101 Q CA -0.364 55.230 55.803 -0.350 0.000 0.817 101 Q CB 0.280 28.843 28.738 -0.291 0.000 1.377 101 Q HN -0.033 nan 8.270 nan 0.000 0.497 102 G N 1.409 110.107 108.800 -0.170 0.000 2.628 102 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 102 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 102 G C 1.305 176.119 174.900 -0.145 0.000 1.240 102 G CA 1.587 46.606 45.100 -0.136 0.000 0.792 102 G HN 0.721 nan 8.290 nan 0.000 0.593 103 R N 1.485 121.914 120.500 -0.118 0.000 2.293 103 R HA 0.041 4.381 4.340 -0.000 0.000 0.219 103 R C 2.295 178.463 176.300 -0.220 0.000 1.091 103 R CA 1.499 57.531 56.100 -0.112 0.000 1.004 103 R CB -0.960 29.376 30.300 0.061 0.000 0.865 103 R HN 0.334 nan 8.270 nan 0.000 0.469 104 G N 0.836 109.491 108.800 -0.242 0.000 2.403 104 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 104 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 104 G C 1.596 176.395 174.900 -0.168 0.000 1.154 104 G CA 0.647 45.630 45.100 -0.194 0.000 0.784 104 G HN 0.472 nan 8.290 nan 0.000 0.538 105 A N 0.899 123.632 122.820 -0.145 0.000 1.930 105 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 105 A C 2.117 179.663 177.584 -0.064 0.000 1.176 105 A CA 1.604 53.607 52.037 -0.056 0.000 0.632 105 A CB -0.235 18.761 19.000 -0.005 0.000 0.819 105 A HN 0.424 nan 8.150 nan 0.000 0.445 106 E N 0.414 120.484 120.200 -0.216 0.000 2.051 106 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 106 E C 2.087 178.246 176.600 -0.735 0.000 0.991 106 E CA 1.408 57.471 56.400 -0.561 0.000 0.799 106 E CB -0.354 29.106 29.700 -0.400 0.000 0.748 106 E HN 0.929 nan 8.360 nan 0.000 0.449 107 Q N 0.423 119.794 119.800 -0.716 0.000 2.561 107 Q HA -0.085 4.255 4.340 -0.000 0.000 0.217 107 Q C 1.712 177.524 176.000 -0.313 0.000 0.980 107 Q CA 0.915 56.364 55.803 -0.591 0.000 0.927 107 Q CB -0.066 28.380 28.738 -0.487 0.000 0.980 107 Q HN 0.372 nan 8.270 nan 0.000 0.525 108 I N -0.346 120.055 120.570 -0.282 0.000 3.132 108 I HA -0.079 4.091 4.170 -0.000 0.000 0.255 108 I C 2.220 178.268 176.117 -0.115 0.000 1.118 108 I CA 0.259 61.465 61.300 -0.157 0.000 1.463 108 I CB -0.249 37.692 38.000 -0.098 0.000 1.356 108 I HN 0.171 nan 8.210 nan 0.000 0.463 109 Y N 1.389 121.607 120.300 -0.136 0.000 2.242 109 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 109 Y C 2.237 178.059 175.900 -0.131 0.000 1.137 109 Y CA 1.064 59.093 58.100 -0.119 0.000 1.181 109 Y CB -0.844 37.539 38.460 -0.129 0.000 0.989 109 Y HN 0.005 nan 8.280 nan 0.000 0.527 110 I N 1.234 121.414 120.570 -0.651 0.000 2.127 110 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 110 I C -0.488 175.595 176.117 -0.058 0.000 1.075 110 I CA 1.419 62.477 61.300 -0.402 0.000 1.334 110 I CB -1.499 36.234 38.000 -0.444 0.000 1.040 110 I HN 0.225 nan 8.210 nan 0.000 0.405 111 P HA -0.113 nan 4.420 nan 0.000 0.216 111 P C 1.994 179.306 177.300 0.020 0.000 1.153 111 P CA 1.174 64.265 63.100 -0.014 0.000 0.848 111 P CB 0.041 31.716 31.700 -0.041 0.000 0.787 112 V N -0.327 119.594 119.914 0.012 0.000 2.255 112 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 112 V C 2.465 178.610 176.094 0.086 0.000 1.051 112 V CA 1.764 64.085 62.300 0.034 0.000 1.018 112 V CB -1.307 30.534 31.823 0.028 0.000 0.641 112 V HN 0.072 nan 8.190 nan 0.000 0.445 113 L N -0.866 120.449 121.223 0.153 0.000 2.083 113 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 113 L C 2.366 179.368 176.870 0.221 0.000 1.083 113 L CA 1.584 56.564 54.840 0.233 0.000 0.752 113 L CB -0.493 41.790 42.059 0.372 0.000 0.899 113 L HN 0.295 nan 8.230 nan 0.000 0.433 114 I N 0.536 121.232 120.570 0.211 0.000 2.142 114 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 114 I C 3.187 179.358 176.117 0.089 0.000 1.078 114 I CA 1.803 63.195 61.300 0.154 0.000 1.343 114 I CB -0.635 37.441 38.000 0.128 0.000 1.046 114 I HN 0.221 nan 8.210 nan 0.000 0.405 115 K N 1.217 121.656 120.400 0.065 0.000 2.103 115 K HA -0.248 4.072 4.320 -0.000 0.000 0.207 115 K C 2.059 178.680 176.600 0.034 0.000 1.048 115 K CA 1.988 58.297 56.287 0.036 0.000 0.930 115 K CB -0.853 31.658 32.500 0.019 0.000 0.716 115 K HN 0.404 nan 8.250 nan 0.000 0.444 116 K N -0.053 120.375 120.400 0.046 0.000 1.991 116 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 116 K C 2.507 179.127 176.600 0.034 0.000 1.049 116 K CA 1.751 58.057 56.287 0.032 0.000 0.932 116 K CB -0.174 32.350 32.500 0.040 0.000 0.717 116 K HN 0.358 nan 8.250 nan 0.000 0.441 117 R N 0.585 121.121 120.500 0.059 0.000 2.148 117 R HA -0.136 4.204 4.340 -0.000 0.000 0.227 117 R C 2.210 178.531 176.300 0.036 0.000 1.103 117 R CA 1.541 57.672 56.100 0.052 0.000 0.983 117 R CB -0.004 30.340 30.300 0.073 0.000 0.874 117 R HN 0.407 nan 8.270 nan 0.000 0.451 118 E N -0.037 120.183 120.200 0.034 0.000 2.015 118 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 118 E C 2.192 178.801 176.600 0.015 0.000 0.991 118 E CA 1.733 58.146 56.400 0.022 0.000 0.802 118 E CB -0.063 29.650 29.700 0.021 0.000 0.759 118 E HN 0.433 nan 8.360 nan 0.000 0.447 119 Q N 0.651 120.458 119.800 0.012 0.000 2.224 119 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 119 Q C 1.652 177.654 176.000 0.003 0.000 0.970 119 Q CA 1.773 57.579 55.803 0.005 0.000 0.865 119 Q CB -0.453 28.285 28.738 0.001 0.000 0.922 119 Q HN 0.532 nan 8.270 nan 0.000 0.445 120 E N -0.733 119.471 120.200 0.005 0.000 2.201 120 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 120 E C 1.250 177.855 176.600 0.008 0.000 0.957 120 E CA 0.741 57.142 56.400 0.002 0.000 0.858 120 E CB 0.458 30.155 29.700 -0.005 0.000 0.816 120 E HN 0.493 nan 8.360 nan 0.000 0.475 121 K N -0.338 120.071 120.400 0.016 0.000 2.413 121 K HA 0.196 4.516 4.320 -0.000 0.000 0.204 121 K C 0.240 176.851 176.600 0.018 0.000 1.041 121 K CA 0.350 56.648 56.287 0.019 0.000 1.082 121 K CB 1.750 34.267 32.500 0.029 0.000 0.871 121 K HN 0.172 nan 8.250 nan 0.000 0.535 122 G N 2.823 111.632 108.800 0.015 0.000 2.272 122 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 122 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 122 G C -0.020 174.889 174.900 0.014 0.000 1.067 122 G CA 0.068 45.176 45.100 0.013 0.000 0.902 122 G HN 0.363 nan 8.290 nan 0.000 0.500 123 L N -0.152 121.082 121.223 0.018 0.000 2.506 123 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 123 L C 0.615 177.492 176.870 0.011 0.000 1.228 123 L CA 0.844 55.695 54.840 0.018 0.000 0.850 123 L CB 0.502 42.575 42.059 0.025 0.000 1.110 123 L HN 0.489 nan 8.230 nan 0.000 0.496 124 D N 4.043 124.447 120.400 0.006 0.000 2.441 124 D HA 0.328 4.968 4.640 -0.000 0.000 0.231 124 D C 0.918 177.216 176.300 -0.004 0.000 1.073 124 D CA -0.514 53.486 54.000 0.001 0.000 0.850 124 D CB 0.746 41.545 40.800 -0.000 0.000 1.062 124 D HN 0.814 nan 8.370 nan 0.000 0.524 125 R N 0.426 120.924 120.500 -0.004 0.000 2.154 125 R HA -0.162 4.178 4.340 -0.000 0.000 0.248 125 R C 2.569 178.859 176.300 -0.017 0.000 1.155 125 R CA 2.033 58.127 56.100 -0.008 0.000 0.979 125 R CB -0.086 30.211 30.300 -0.005 0.000 0.869 125 R HN 0.583 nan 8.270 nan 0.000 0.452 126 S N -0.475 115.217 115.700 -0.015 0.000 2.515 126 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 126 S C 1.690 176.277 174.600 -0.022 0.000 0.987 126 S CA 1.227 59.416 58.200 -0.018 0.000 0.936 126 S CB 0.243 63.434 63.200 -0.014 0.000 0.766 126 S HN 0.396 nan 8.310 nan 0.000 0.528 127 K N 1.139 121.527 120.400 -0.020 0.000 2.501 127 K HA 0.547 4.867 4.320 -0.000 0.000 0.204 127 K C 0.431 177.015 176.600 -0.027 0.000 1.067 127 K CA 0.064 56.338 56.287 -0.021 0.000 1.060 127 K CB -0.543 31.950 32.500 -0.012 0.000 0.873 127 K HN 0.784 nan 8.250 nan 0.000 0.540 128 M N 0.064 119.643 119.600 -0.035 0.000 2.238 128 M HA 0.640 5.120 4.480 -0.000 0.000 0.347 128 M C -0.673 175.573 176.300 -0.090 0.000 1.173 128 M CA -0.283 54.989 55.300 -0.048 0.000 1.147 128 M CB 1.318 33.891 32.600 -0.045 0.000 1.547 128 M HN -0.157 nan 8.290 nan 0.000 0.455 129 V N 2.662 122.512 119.914 -0.107 0.000 2.760 129 V HA 0.826 4.946 4.120 -0.000 0.000 0.309 129 V C -0.365 175.570 176.094 -0.264 0.000 1.077 129 V CA -0.772 61.396 62.300 -0.220 0.000 0.910 129 V CB 1.653 33.316 31.823 -0.266 0.000 1.008 129 V HN 1.092 nan 8.190 nan 0.000 0.424 130 A N 3.810 126.421 122.820 -0.348 0.000 2.320 130 A HA 0.989 5.309 4.320 -0.000 0.000 0.334 130 A C -1.265 176.263 177.584 -0.093 0.000 1.147 130 A CA -0.325 51.586 52.037 -0.209 0.000 0.820 130 A CB 0.953 19.744 19.000 -0.347 0.000 1.218 130 A HN 0.595 nan 8.150 nan 0.000 0.482 131 F N 0.223 120.330 119.950 0.261 0.000 2.579 131 F HA 0.805 5.332 4.527 -0.000 0.000 0.324 131 F C 0.666 176.499 175.800 0.055 0.000 1.058 131 F CA -0.265 57.869 58.000 0.223 0.000 0.944 131 F CB 2.445 41.529 39.000 0.140 0.000 1.245 131 F HN 0.596 nan 8.300 nan 0.000 0.477 132 S N 0.211 115.913 115.700 0.004 0.000 2.552 132 S HA 0.200 4.670 4.470 -0.000 0.000 0.272 132 S C 0.061 174.452 174.600 -0.349 0.000 1.150 132 S CA -0.808 57.188 58.200 -0.339 0.000 0.849 132 S CB 0.896 63.244 63.200 -1.419 0.000 1.113 132 S HN 0.706 nan 8.310 nan 0.000 0.458 133 N N 1.551 119.767 118.700 -0.807 0.000 2.381 133 N HA -0.038 4.702 4.740 -0.000 0.000 0.182 133 N C -0.273 175.159 175.510 -0.130 0.000 1.025 133 N CA 1.101 53.694 53.050 -0.761 0.000 0.888 133 N CB -0.232 37.572 38.487 -1.139 0.000 0.965 133 N HN 0.635 nan 8.380 nan 0.000 0.438 134 Y N -0.966 119.190 120.300 -0.240 0.000 2.131 134 Y HA 0.194 4.744 4.550 -0.000 0.000 0.313 134 Y C -1.369 174.532 175.900 0.002 0.000 1.296 134 Y CA -1.340 56.736 58.100 -0.039 0.000 1.481 134 Y CB -0.398 38.077 38.460 0.025 0.000 1.301 134 Y HN -0.203 nan 8.280 nan 0.000 0.382 135 F N 4.939 125.020 119.950 0.217 0.000 2.459 135 F HA 0.309 4.836 4.527 -0.000 0.000 0.346 135 F C 0.512 176.579 175.800 0.444 0.000 1.128 135 F CA 0.369 58.568 58.000 0.332 0.000 1.268 135 F CB 0.250 39.371 39.000 0.202 0.000 1.161 135 F HN 0.276 nan 8.300 nan 0.000 0.583 136 F N 1.173 121.411 119.950 0.479 0.000 2.444 136 F HA 0.228 4.755 4.527 -0.000 0.000 0.331 136 F C 1.727 177.717 175.800 0.316 0.000 1.167 136 F CA 0.442 58.652 58.000 0.350 0.000 1.262 136 F CB 0.084 39.262 39.000 0.296 0.000 1.196 136 F HN 0.696 nan 8.300 nan 0.000 0.583 137 D N -0.448 120.190 120.400 0.396 0.000 2.123 137 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 137 D C 1.887 178.388 176.300 0.335 0.000 0.992 137 D CA 2.030 56.217 54.000 0.311 0.000 0.833 137 D CB -0.989 39.990 40.800 0.298 0.000 0.954 137 D HN 0.656 nan 8.370 nan 0.000 0.455 138 T N -3.050 111.748 114.554 0.405 0.000 2.942 138 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 138 T C 2.173 177.052 174.700 0.299 0.000 1.062 138 T CA 1.912 64.206 62.100 0.323 0.000 1.139 138 T CB -0.382 68.680 68.868 0.323 0.000 0.883 138 T HN 0.366 nan 8.240 nan 0.000 0.468 139 T N 1.904 116.659 114.554 0.335 0.000 2.737 139 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 139 T C 2.016 176.765 174.700 0.082 0.000 1.038 139 T CA 1.380 63.638 62.100 0.264 0.000 1.144 139 T CB -0.403 68.757 68.868 0.486 0.000 0.866 139 T HN 0.520 nan 8.240 nan 0.000 0.434 140 Q N 0.825 120.667 119.800 0.069 0.000 2.084 140 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 140 Q C 2.555 178.507 176.000 -0.079 0.000 0.978 140 Q CA 1.728 57.456 55.803 -0.125 0.000 0.844 140 Q CB -0.610 28.133 28.738 0.007 0.000 0.898 140 Q HN 0.569 nan 8.270 nan 0.000 0.426 141 G N 0.213 109.011 108.800 -0.003 0.000 2.480 141 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 141 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 141 G C 1.228 176.041 174.900 -0.146 0.000 1.200 141 G CA 1.054 46.108 45.100 -0.077 0.000 0.782 141 G HN 0.440 nan 8.290 nan 0.000 0.554 142 H N 0.556 119.595 119.070 -0.050 0.000 2.421 142 H HA -0.010 4.546 4.556 -0.000 0.000 0.298 142 H C 3.031 178.304 175.328 -0.092 0.000 1.087 142 H CA 1.380 57.378 56.048 -0.082 0.000 1.330 142 H CB -0.060 29.631 29.762 -0.119 0.000 1.388 142 H HN 0.301 nan 8.280 nan 0.000 0.526 143 S N 0.775 116.473 115.700 -0.003 0.000 2.343 143 S HA -0.162 4.308 4.470 -0.000 0.000 0.219 143 S C 2.145 176.709 174.600 -0.060 0.000 1.033 143 S CA 1.066 59.247 58.200 -0.032 0.000 1.014 143 S CB -0.181 62.920 63.200 -0.164 0.000 0.915 143 S HN 0.520 nan 8.310 nan 0.000 0.435 144 Q N 0.395 120.137 119.800 -0.097 0.000 2.124 144 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 144 Q C 2.102 178.061 176.000 -0.069 0.000 0.977 144 Q CA 1.094 56.844 55.803 -0.089 0.000 0.850 144 Q CB -0.379 28.303 28.738 -0.094 0.000 0.901 144 Q HN 0.517 nan 8.270 nan 0.000 0.429 145 I N 1.113 121.639 120.570 -0.073 0.000 2.454 145 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 145 I C 1.365 177.462 176.117 -0.034 0.000 1.156 145 I CA 0.724 61.985 61.300 -0.066 0.000 1.433 145 I CB -0.168 37.773 38.000 -0.098 0.000 1.082 145 I HN 0.229 nan 8.210 nan 0.000 0.432 146 N N 0.889 119.578 118.700 -0.018 0.000 2.314 146 N HA 0.060 4.800 4.740 -0.000 0.000 0.200 146 N C 1.159 176.662 175.510 -0.011 0.000 1.135 146 N CA 0.815 53.863 53.050 -0.003 0.000 0.835 146 N CB 0.821 39.319 38.487 0.019 0.000 0.989 146 N HN 0.439 nan 8.380 nan 0.000 0.478 147 G N 1.070 109.853 108.800 -0.029 0.000 2.153 147 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 147 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 147 G C 0.091 174.964 174.900 -0.045 0.000 0.994 147 G CA 0.279 45.358 45.100 -0.035 0.000 0.698 147 G HN 0.467 nan 8.290 nan 0.000 0.521 148 C N 1.654 120.921 119.300 -0.054 0.000 2.303 148 C HA 0.771 5.231 4.460 -0.000 0.000 0.326 148 C C 1.068 175.982 174.990 -0.127 0.000 1.285 148 C CA 0.212 59.180 59.018 -0.083 0.000 1.675 148 C CB 0.192 27.890 27.740 -0.070 0.000 2.289 148 C HN 0.476 nan 8.230 nan 0.000 0.512 149 T N 4.943 119.413 114.554 -0.141 0.000 2.899 149 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 149 T C 0.093 174.656 174.700 -0.228 0.000 1.033 149 T CA -0.206 61.797 62.100 -0.161 0.000 1.084 149 T CB 1.013 69.798 68.868 -0.138 0.000 0.979 149 T HN 0.961 nan 8.240 nan 0.000 0.532 150 V N 1.040 120.819 119.914 -0.226 0.000 2.919 150 V HA 0.837 4.957 4.120 -0.000 0.000 0.316 150 V C -0.642 175.368 176.094 -0.140 0.000 1.077 150 V CA -1.263 60.906 62.300 -0.218 0.000 0.977 150 V CB 1.834 33.423 31.823 -0.391 0.000 1.039 150 V HN 0.799 nan 8.190 nan 0.000 0.441 151 R N 2.113 122.558 120.500 -0.091 0.000 2.512 151 R HA 0.462 4.802 4.340 -0.000 0.000 0.291 151 R C -1.292 175.015 176.300 0.013 0.000 1.097 151 R CA -0.530 55.493 56.100 -0.128 0.000 0.940 151 R CB 1.600 31.686 30.300 -0.357 0.000 1.198 151 R HN 0.849 nan 8.270 nan 0.000 0.429 152 N N 2.368 121.054 118.700 -0.023 0.000 2.414 152 N HA 0.115 4.855 4.740 -0.000 0.000 0.256 152 N C -0.105 175.387 175.510 -0.029 0.000 1.029 152 N CA -0.221 52.778 53.050 -0.085 0.000 0.948 152 N CB 1.985 40.231 38.487 -0.403 0.000 1.102 152 N HN 0.309 nan 8.380 nan 0.000 0.496 153 V N 1.034 120.966 119.914 0.030 0.000 2.180 153 V HA 0.342 4.462 4.120 -0.000 0.000 0.265 153 V C -0.322 175.767 176.094 -0.007 0.000 1.214 153 V CA -0.922 61.372 62.300 -0.010 0.000 1.130 153 V CB -1.667 30.255 31.823 0.165 0.000 1.266 153 V HN 0.402 nan 8.190 nan 0.000 0.473 154 Y N 2.382 122.741 120.300 0.097 0.000 2.326 154 Y HA 0.807 5.357 4.550 -0.000 0.000 0.324 154 Y C 0.479 176.434 175.900 0.092 0.000 1.291 154 Y CA -2.083 56.080 58.100 0.105 0.000 1.348 154 Y CB 0.576 39.184 38.460 0.246 0.000 1.294 154 Y HN 0.526 nan 8.280 nan 0.000 0.525 155 I N -0.945 119.775 120.570 0.251 0.000 2.764 155 I HA 0.528 4.698 4.170 -0.000 0.000 0.294 155 I C 1.254 177.473 176.117 0.170 0.000 1.045 155 I CA -0.503 60.869 61.300 0.119 0.000 1.340 155 I CB 1.135 39.151 38.000 0.026 0.000 1.436 155 I HN 0.875 nan 8.210 nan 0.000 0.567 156 K N 3.260 123.695 120.400 0.059 0.000 2.160 156 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 156 K C 1.546 178.168 176.600 0.037 0.000 1.047 156 K CA 2.412 58.740 56.287 0.068 0.000 0.930 156 K CB -1.207 31.292 32.500 -0.001 0.000 0.720 156 K HN 0.887 nan 8.250 nan 0.000 0.450 157 E N -0.289 119.855 120.200 -0.093 0.000 2.285 157 E HA 0.232 4.582 4.350 -0.000 0.000 0.194 157 E C 2.322 178.864 176.600 -0.097 0.000 0.997 157 E CA 0.776 57.090 56.400 -0.143 0.000 0.845 157 E CB -0.269 29.198 29.700 -0.388 0.000 0.782 157 E HN 0.570 nan 8.360 nan 0.000 0.491 158 A N 0.785 123.556 122.820 -0.083 0.000 1.894 158 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 158 A C 1.395 178.670 177.584 -0.515 0.000 1.237 158 A CA 1.756 53.615 52.037 -0.297 0.000 0.660 158 A CB -0.881 17.943 19.000 -0.294 0.000 0.835 158 A HN 0.338 nan 8.150 nan 0.000 0.461 159 F N -0.186 119.684 119.950 -0.132 0.000 2.730 159 F HA 0.226 4.753 4.527 -0.000 0.000 0.295 159 F C 0.363 176.110 175.800 -0.089 0.000 1.143 159 F CA -0.474 57.434 58.000 -0.152 0.000 1.367 159 F CB 0.395 39.282 39.000 -0.189 0.000 0.970 159 F HN 0.101 nan 8.300 nan 0.000 0.514 160 D N 1.027 121.447 120.400 0.033 0.000 2.479 160 D HA 0.016 4.656 4.640 -0.000 0.000 0.218 160 D C 1.397 177.688 176.300 -0.015 0.000 1.131 160 D CA 0.139 54.152 54.000 0.021 0.000 0.916 160 D CB 0.901 41.705 40.800 0.006 0.000 1.022 160 D HN 0.253 nan 8.370 nan 0.000 0.515 161 T N -0.175 114.375 114.554 -0.007 0.000 3.098 161 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 161 T C 1.575 176.260 174.700 -0.025 0.000 1.145 161 T CA 0.640 62.723 62.100 -0.028 0.000 1.092 161 T CB 0.124 68.984 68.868 -0.014 0.000 0.908 161 T HN 0.278 nan 8.240 nan 0.000 0.526 162 G N 0.313 109.105 108.800 -0.014 0.000 2.887 162 G HA2 0.417 4.377 3.960 -0.000 0.000 0.211 162 G HA3 0.417 4.377 3.960 -0.000 0.000 0.211 162 G C 0.156 175.048 174.900 -0.013 0.000 1.152 162 G CA -0.119 44.974 45.100 -0.013 0.000 0.769 162 G HN 0.508 nan 8.290 nan 0.000 0.541 163 V N -0.008 119.898 119.914 -0.013 0.000 2.715 163 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 163 V C 0.310 176.403 176.094 -0.002 0.000 1.054 163 V CA -1.022 61.276 62.300 -0.005 0.000 0.928 163 V CB 1.374 33.197 31.823 0.000 0.000 1.007 163 V HN 0.406 nan 8.190 nan 0.000 0.437 164 R N 1.932 122.438 120.500 0.011 0.000 2.428 164 R HA 0.779 5.119 4.340 -0.000 0.000 0.294 164 R C -1.344 175.011 176.300 0.092 0.000 1.000 164 R CA -0.513 55.593 56.100 0.009 0.000 0.960 164 R CB 1.023 31.311 30.300 -0.020 0.000 1.076 164 R HN 0.863 nan 8.270 nan 0.000 0.475 165 Y N 0.773 121.006 120.300 -0.113 0.000 2.482 165 Y HA 0.280 4.830 4.550 -0.000 0.000 0.334 165 Y C -0.052 175.737 175.900 -0.184 0.000 1.091 165 Y CA -1.299 56.739 58.100 -0.104 0.000 1.027 165 Y CB 2.515 40.931 38.460 -0.073 0.000 1.306 165 Y HN 0.792 nan 8.280 nan 0.000 0.446 166 D N 3.284 123.191 120.400 -0.822 0.000 2.144 166 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 166 D C -0.351 175.245 176.300 -1.173 0.000 0.984 166 D CA 2.111 55.575 54.000 -0.892 0.000 0.834 166 D CB 0.030 40.371 40.800 -0.765 0.000 0.955 166 D HN 0.344 nan 8.370 nan 0.000 0.465 167 F N -0.323 119.322 119.950 -0.508 0.000 2.710 167 F HA 0.309 4.836 4.527 -0.000 0.000 0.345 167 F C 0.990 176.858 175.800 0.113 0.000 1.362 167 F CA -0.605 57.301 58.000 -0.156 0.000 1.175 167 F CB 0.918 39.859 39.000 -0.097 0.000 1.561 167 F HN -0.376 nan 8.300 nan 0.000 0.593 168 K N 0.299 120.794 120.400 0.157 0.000 2.515 168 K HA -0.005 4.315 4.320 -0.000 0.000 0.196 168 K C 1.900 178.488 176.600 -0.021 0.000 1.038 168 K CA 0.801 57.146 56.287 0.097 0.000 0.967 168 K CB 0.093 32.534 32.500 -0.098 0.000 0.780 168 K HN 0.689 nan 8.250 nan 0.000 0.483 169 G N 0.729 109.536 108.800 0.011 0.000 3.042 169 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.212 169 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.212 169 G C 0.322 175.236 174.900 0.023 0.000 1.166 169 G CA -0.349 44.735 45.100 -0.026 0.000 0.767 169 G HN 0.144 nan 8.290 nan 0.000 0.546 170 N N 0.383 119.158 118.700 0.125 0.000 2.374 170 N HA 0.098 4.838 4.740 -0.000 0.000 0.241 170 N C -0.358 175.224 175.510 0.120 0.000 1.262 170 N CA 0.022 53.166 53.050 0.157 0.000 0.880 170 N CB 0.351 38.976 38.487 0.229 0.000 1.105 170 N HN 0.013 nan 8.380 nan 0.000 0.438 171 F N 0.085 120.081 119.950 0.076 0.000 2.418 171 F HA 0.035 4.562 4.527 -0.000 0.000 0.341 171 F C 1.290 177.120 175.800 0.049 0.000 1.120 171 F CA -0.216 57.823 58.000 0.065 0.000 1.232 171 F CB 0.537 39.559 39.000 0.036 0.000 1.175 171 F HN 0.316 nan 8.300 nan 0.000 0.569 172 D N 3.978 124.520 120.400 0.235 0.000 2.468 172 D HA 0.112 4.752 4.640 -0.000 0.000 0.218 172 D C 1.072 177.440 176.300 0.112 0.000 1.155 172 D CA 0.151 54.222 54.000 0.119 0.000 0.924 172 D CB 0.230 41.054 40.800 0.041 0.000 1.029 172 D HN 0.493 nan 8.370 nan 0.000 0.515 173 L N 2.373 123.651 121.223 0.092 0.000 1.990 173 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 173 L C 2.271 179.140 176.870 -0.002 0.000 1.072 173 L CA 1.346 56.205 54.840 0.031 0.000 0.755 173 L CB -0.282 41.784 42.059 0.013 0.000 0.889 173 L HN 0.420 nan 8.230 nan 0.000 0.432 174 E N -0.101 120.100 120.200 0.002 0.000 2.051 174 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 174 E C 2.203 178.788 176.600 -0.025 0.000 0.991 174 E CA 1.062 57.454 56.400 -0.013 0.000 0.799 174 E CB -0.329 29.367 29.700 -0.007 0.000 0.748 174 E HN 0.551 nan 8.360 nan 0.000 0.449 175 G N 1.385 110.177 108.800 -0.013 0.000 2.469 175 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 175 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 175 G C 1.530 176.405 174.900 -0.041 0.000 1.150 175 G CA 0.941 46.031 45.100 -0.016 0.000 0.763 175 G HN 0.198 nan 8.290 nan 0.000 0.561 176 L N 0.658 121.852 121.223 -0.048 0.000 2.017 176 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 176 L C 2.600 179.278 176.870 -0.321 0.000 1.073 176 L CA 2.725 57.457 54.840 -0.180 0.000 0.745 176 L CB -0.718 41.278 42.059 -0.105 0.000 0.894 176 L HN 0.419 nan 8.230 nan 0.000 0.432 177 E N -0.624 119.465 120.200 -0.184 0.000 2.028 177 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 177 E C 2.395 178.889 176.600 -0.177 0.000 0.988 177 E CA 1.979 58.279 56.400 -0.166 0.000 0.799 177 E CB -0.123 29.547 29.700 -0.049 0.000 0.755 177 E HN 0.439 nan 8.360 nan 0.000 0.447 178 R N 0.458 120.892 120.500 -0.110 0.000 2.091 178 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 178 R C 2.522 178.764 176.300 -0.097 0.000 1.136 178 R CA 1.936 57.990 56.100 -0.078 0.000 0.959 178 R CB -2.121 28.156 30.300 -0.038 0.000 0.856 178 R HN 0.417 nan 8.270 nan 0.000 0.437 179 G N 0.979 109.708 108.800 -0.118 0.000 2.446 179 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 179 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 179 G C 1.749 176.558 174.900 -0.152 0.000 1.168 179 G CA 1.114 46.194 45.100 -0.033 0.000 0.771 179 G HN 0.534 nan 8.290 nan 0.000 0.551 180 I N 1.209 121.474 120.570 -0.508 0.000 2.252 180 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 180 I C 3.344 179.258 176.117 -0.338 0.000 1.102 180 I CA 1.537 62.523 61.300 -0.523 0.000 1.385 180 I CB -0.592 36.919 38.000 -0.816 0.000 1.064 180 I HN 0.391 nan 8.210 nan 0.000 0.414 181 E N 1.269 121.297 120.200 -0.286 0.000 2.058 181 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 181 E C 2.138 178.696 176.600 -0.071 0.000 0.997 181 E CA 1.974 58.285 56.400 -0.147 0.000 0.801 181 E CB -1.293 28.363 29.700 -0.075 0.000 0.746 181 E HN 0.668 nan 8.360 nan 0.000 0.450 182 E N 0.257 120.430 120.200 -0.045 0.000 2.005 182 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 182 E C 2.490 179.096 176.600 0.009 0.000 1.010 182 E CA 1.670 58.068 56.400 -0.004 0.000 0.825 182 E CB -1.284 28.428 29.700 0.020 0.000 0.769 182 E HN 0.481 nan 8.360 nan 0.000 0.456 183 V N 0.137 120.078 119.914 0.045 0.000 2.453 183 V HA 0.143 4.263 4.120 -0.000 0.000 0.252 183 V C 1.615 177.721 176.094 0.020 0.000 1.068 183 V CA 1.535 63.869 62.300 0.057 0.000 1.070 183 V CB -1.292 30.621 31.823 0.151 0.000 0.664 183 V HN 1.419 nan 8.190 nan 0.000 0.461 184 G N 0.032 108.823 108.800 -0.015 0.000 3.439 184 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 184 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 184 G C -1.142 173.738 174.900 -0.033 0.000 1.075 184 G CA -0.210 44.877 45.100 -0.021 0.000 0.926 184 G HN 0.242 nan 8.290 nan 0.000 0.485 185 P HA -0.205 nan 4.420 nan 0.000 0.218 185 P C 1.347 178.661 177.300 0.023 0.000 1.146 185 P CA 1.305 64.369 63.100 -0.060 0.000 0.820 185 P CB 0.116 31.851 31.700 0.058 0.000 0.778 186 N N -0.279 118.440 118.700 0.032 0.000 2.459 186 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 186 N C 1.050 176.577 175.510 0.030 0.000 1.046 186 N CA 0.679 53.751 53.050 0.037 0.000 0.904 186 N CB -0.436 38.069 38.487 0.031 0.000 0.964 186 N HN 0.285 nan 8.380 nan 0.000 0.444 187 N N 0.244 118.958 118.700 0.023 0.000 2.270 187 N HA 0.052 4.792 4.740 -0.000 0.000 0.198 187 N C -0.408 175.114 175.510 0.021 0.000 1.117 187 N CA 0.094 53.155 53.050 0.018 0.000 0.845 187 N CB 1.238 39.732 38.487 0.012 0.000 0.980 187 N HN -0.064 nan 8.380 nan 0.000 0.486 188 V N 3.934 123.871 119.914 0.040 0.000 2.277 188 V HA 0.176 4.296 4.120 -0.000 0.000 0.269 188 V C -1.272 174.841 176.094 0.031 0.000 1.036 188 V CA -1.233 61.101 62.300 0.058 0.000 0.821 188 V CB 1.966 33.861 31.823 0.120 0.000 1.052 188 V HN -0.006 nan 8.190 nan 0.000 0.462 189 P HA -0.054 nan 4.420 nan 0.000 0.221 189 P C -0.321 177.105 177.300 0.210 0.000 1.150 189 P CA 1.355 64.482 63.100 0.045 0.000 0.800 189 P CB 0.233 31.942 31.700 0.015 0.000 0.787 190 Y N -3.483 116.961 120.300 0.240 0.000 2.765 190 Y HA 0.576 5.126 4.550 -0.000 0.000 0.350 190 Y C -1.506 174.587 175.900 0.321 0.000 1.196 190 Y CA -1.753 56.508 58.100 0.268 0.000 1.119 190 Y CB -0.020 38.619 38.460 0.298 0.000 1.368 190 Y HN -0.333 nan 8.280 nan 0.000 0.463 191 I N 2.422 123.294 120.570 0.503 0.000 2.465 191 I HA 0.579 4.749 4.170 -0.000 0.000 0.291 191 I C -1.083 175.299 176.117 0.442 0.000 1.014 191 I CA -1.322 60.241 61.300 0.439 0.000 1.093 191 I CB 2.100 40.257 38.000 0.261 0.000 1.267 191 I HN 0.494 nan 8.210 nan 0.000 0.431 192 V N 5.373 125.531 119.914 0.407 0.000 2.370 192 V HA 0.529 4.649 4.120 -0.000 0.000 0.283 192 V C 0.347 176.596 176.094 0.259 0.000 1.023 192 V CA -0.551 61.920 62.300 0.286 0.000 0.857 192 V CB 1.532 33.534 31.823 0.298 0.000 0.985 192 V HN 0.820 nan 8.190 nan 0.000 0.443 193 A N 3.464 126.454 122.820 0.284 0.000 2.260 193 A HA 0.596 4.916 4.320 -0.000 0.000 0.312 193 A C 0.413 178.094 177.584 0.161 0.000 1.321 193 A CA -0.316 51.920 52.037 0.332 0.000 0.928 193 A CB 0.114 19.325 19.000 0.351 0.000 1.158 193 A HN 0.730 nan 8.150 nan 0.000 0.542 194 T N 4.687 119.306 114.554 0.108 0.000 2.863 194 T HA 0.191 4.541 4.350 -0.000 0.000 0.299 194 T C 0.383 175.184 174.700 0.167 0.000 0.973 194 T CA -0.098 62.116 62.100 0.190 0.000 0.994 194 T CB -0.403 68.627 68.868 0.271 0.000 0.961 194 T HN 0.419 nan 8.240 nan 0.000 0.552 195 I N 4.028 124.706 120.570 0.180 0.000 2.573 195 I HA 0.076 4.246 4.170 -0.000 0.000 0.295 195 I C 0.967 177.207 176.117 0.205 0.000 1.141 195 I CA 0.773 62.182 61.300 0.183 0.000 1.364 195 I CB -1.655 36.469 38.000 0.206 0.000 1.447 195 I HN 0.742 nan 8.210 nan 0.000 0.571 196 T N 3.479 118.129 114.554 0.161 0.000 1.803 196 T HA -0.157 4.193 4.350 -0.000 0.000 0.628 196 T C 0.187 174.936 174.700 0.082 0.000 0.925 196 T CA 0.005 62.182 62.100 0.128 0.000 3.325 196 T CB -0.361 68.606 68.868 0.166 0.000 1.965 196 T HN 0.717 nan 8.240 nan 0.000 0.470 197 S N 3.344 119.044 115.700 -0.001 0.000 2.429 197 S HA 0.163 4.633 4.470 -0.000 0.000 0.292 197 S C 1.561 176.080 174.600 -0.135 0.000 1.183 197 S CA -0.300 57.863 58.200 -0.061 0.000 1.088 197 S CB 0.340 63.462 63.200 -0.131 0.000 1.018 197 S HN 0.624 nan 8.310 nan 0.000 0.511 198 N N 4.069 122.687 118.700 -0.137 0.000 2.025 198 N HA -0.113 4.627 4.740 -0.000 0.000 0.194 198 N C 1.619 177.010 175.510 -0.199 0.000 1.044 198 N CA 2.048 55.020 53.050 -0.130 0.000 0.851 198 N CB -0.502 37.737 38.487 -0.412 0.000 1.036 198 N HN 0.623 nan 8.380 nan 0.000 0.422 199 S N 0.373 115.861 115.700 -0.354 0.000 2.419 199 S HA 0.002 4.472 4.470 -0.000 0.000 0.233 199 S C 1.926 176.177 174.600 -0.581 0.000 1.016 199 S CA 0.921 58.843 58.200 -0.463 0.000 0.974 199 S CB -0.290 62.366 63.200 -0.907 0.000 0.786 199 S HN 0.569 nan 8.310 nan 0.000 0.492 200 A N 0.594 122.975 122.820 -0.731 0.000 2.172 200 A HA 0.409 4.729 4.320 -0.000 0.000 0.216 200 A C 1.544 178.580 177.584 -0.913 0.000 1.154 200 A CA 0.963 52.407 52.037 -0.989 0.000 0.701 200 A CB -0.643 17.906 19.000 -0.751 0.000 0.789 200 A HN 0.972 nan 8.150 nan 0.000 0.465 201 G N -2.674 105.489 108.800 -1.062 0.000 2.181 201 G HA2 0.327 4.287 3.960 -0.000 0.000 0.152 201 G HA3 0.327 4.287 3.960 -0.000 0.000 0.152 201 G C 1.102 175.480 174.900 -0.871 0.000 1.026 201 G CA 0.328 44.323 45.100 -1.841 0.000 0.699 201 G HN 1.972 nan 8.290 nan 0.000 0.497 202 G N -1.027 107.584 108.800 -0.315 0.000 2.273 202 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.280 202 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.280 202 G C 0.254 175.096 174.900 -0.096 0.000 1.047 202 G CA 0.840 46.010 45.100 0.117 0.000 0.869 202 G HN 1.009 nan 8.290 nan 0.000 0.502 203 Q N 0.211 119.863 119.800 -0.247 0.000 2.261 203 Q HA 0.395 4.735 4.340 -0.000 0.000 0.252 203 Q C -1.899 173.987 176.000 -0.189 0.000 0.915 203 Q CA -1.817 53.798 55.803 -0.312 0.000 0.915 203 Q CB 1.710 30.253 28.738 -0.326 0.000 1.204 203 Q HN 0.395 nan 8.270 nan 0.000 0.421 204 P HA 0.159 nan 4.420 nan 0.000 0.274 204 P C -0.611 176.843 177.300 0.258 0.000 1.237 204 P CA -0.327 62.802 63.100 0.049 0.000 0.793 204 P CB 0.930 32.647 31.700 0.027 0.000 0.977 205 V N 1.650 121.730 119.914 0.277 0.000 2.409 205 V HA 0.202 4.322 4.120 -0.000 0.000 0.291 205 V C 0.923 177.018 176.094 0.001 0.000 1.020 205 V CA -0.458 61.947 62.300 0.175 0.000 0.848 205 V CB 1.207 33.102 31.823 0.120 0.000 0.990 205 V HN 0.754 nan 8.190 nan 0.000 0.430 206 S N 4.945 120.377 115.700 -0.447 0.000 2.584 206 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 206 S C 0.889 175.259 174.600 -0.384 0.000 1.346 206 S CA -0.355 57.288 58.200 -0.928 0.000 1.018 206 S CB 0.958 63.312 63.200 -1.410 0.000 0.899 206 S HN 0.533 nan 8.310 nan 0.000 0.542 207 L N 2.342 123.365 121.223 -0.333 0.000 2.093 207 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 207 L C 2.619 179.356 176.870 -0.221 0.000 1.085 207 L CA 2.125 56.823 54.840 -0.237 0.000 0.755 207 L CB -1.917 39.939 42.059 -0.339 0.000 0.904 207 L HN 0.981 nan 8.230 nan 0.000 0.435 208 A N -0.533 122.169 122.820 -0.198 0.000 1.902 208 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 208 A C 2.259 179.737 177.584 -0.177 0.000 1.181 208 A CA 1.848 53.781 52.037 -0.174 0.000 0.623 208 A CB -0.892 18.024 19.000 -0.140 0.000 0.818 208 A HN 0.627 nan 8.150 nan 0.000 0.443 209 N N 0.124 118.728 118.700 -0.160 0.000 2.120 209 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 209 N C 1.783 177.249 175.510 -0.074 0.000 1.024 209 N CA 1.519 54.526 53.050 -0.072 0.000 0.852 209 N CB -0.208 38.276 38.487 -0.005 0.000 1.003 209 N HN 0.522 nan 8.380 nan 0.000 0.424 210 L N 1.011 122.173 121.223 -0.101 0.000 2.046 210 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 210 L C 2.532 179.276 176.870 -0.210 0.000 1.077 210 L CA 1.145 55.927 54.840 -0.096 0.000 0.747 210 L CB -0.297 41.728 42.059 -0.058 0.000 0.896 210 L HN 0.140 nan 8.230 nan 0.000 0.432 211 K N 0.035 120.167 120.400 -0.446 0.000 2.026 211 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 211 K C 2.240 178.710 176.600 -0.217 0.000 1.048 211 K CA 1.472 57.393 56.287 -0.610 0.000 0.929 211 K CB -0.299 31.804 32.500 -0.662 0.000 0.713 211 K HN 0.281 nan 8.250 nan 0.000 0.439 212 A N 1.925 124.643 122.820 -0.170 0.000 1.877 212 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 212 A C 2.137 179.654 177.584 -0.112 0.000 1.186 212 A CA 1.583 53.554 52.037 -0.109 0.000 0.620 212 A CB -0.527 18.421 19.000 -0.086 0.000 0.822 212 A HN 0.289 nan 8.150 nan 0.000 0.443 213 M N -1.617 117.884 119.600 -0.165 0.000 2.086 213 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 213 M C 2.109 178.323 176.300 -0.143 0.000 1.067 213 M CA 2.175 57.301 55.300 -0.289 0.000 1.116 213 M CB -0.804 31.406 32.600 -0.649 0.000 1.348 213 M HN 0.493 nan 8.290 nan 0.000 0.407 214 Y N 0.829 121.030 120.300 -0.165 0.000 2.274 214 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 214 Y C 2.772 178.661 175.900 -0.019 0.000 1.145 214 Y CA 1.926 59.998 58.100 -0.046 0.000 1.203 214 Y CB -0.682 37.831 38.460 0.089 0.000 0.984 214 Y HN 0.385 nan 8.280 nan 0.000 0.533 215 S N -0.187 115.491 115.700 -0.037 0.000 2.368 215 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 215 S C 2.088 176.612 174.600 -0.127 0.000 1.030 215 S CA 1.598 59.740 58.200 -0.096 0.000 0.999 215 S CB -0.495 62.675 63.200 -0.050 0.000 0.844 215 S HN 0.511 nan 8.310 nan 0.000 0.459 216 I N 1.358 121.873 120.570 -0.092 0.000 2.226 216 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 216 I C 2.706 178.832 176.117 0.015 0.000 1.100 216 I CA 1.126 62.409 61.300 -0.029 0.000 1.374 216 I CB -0.495 37.487 38.000 -0.031 0.000 1.057 216 I HN 0.336 nan 8.210 nan 0.000 0.413 217 A N 1.094 123.874 122.820 -0.068 0.000 1.902 217 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 217 A C 2.620 180.142 177.584 -0.103 0.000 1.181 217 A CA 2.533 54.542 52.037 -0.046 0.000 0.623 217 A CB -0.932 18.028 19.000 -0.066 0.000 0.818 217 A HN 0.381 nan 8.150 nan 0.000 0.443 218 K N 0.486 120.717 120.400 -0.281 0.000 2.057 218 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 218 K C 2.084 178.581 176.600 -0.172 0.000 1.049 218 K CA 2.124 58.248 56.287 -0.271 0.000 0.931 218 K CB -0.769 31.521 32.500 -0.351 0.000 0.714 218 K HN 0.673 nan 8.250 nan 0.000 0.440 219 K N -1.014 119.263 120.400 -0.206 0.000 2.044 219 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 219 K C 1.439 177.788 176.600 -0.418 0.000 1.049 219 K CA 2.132 58.214 56.287 -0.342 0.000 0.927 219 K CB -0.270 31.943 32.500 -0.480 0.000 0.713 219 K HN 0.610 nan 8.250 nan 0.000 0.443 220 Y N 0.342 120.597 120.300 -0.074 0.000 2.468 220 Y HA 0.103 4.653 4.550 -0.000 0.000 0.268 220 Y C -0.087 175.796 175.900 -0.029 0.000 1.177 220 Y CA 0.069 58.140 58.100 -0.049 0.000 1.265 220 Y CB 0.264 38.692 38.460 -0.054 0.000 1.103 220 Y HN 0.236 nan 8.280 nan 0.000 0.522 221 D N 1.030 121.462 120.400 0.053 0.000 2.699 221 D HA -0.223 4.417 4.640 -0.000 0.000 0.239 221 D C -0.727 175.637 176.300 0.106 0.000 1.136 221 D CA 0.466 54.498 54.000 0.052 0.000 0.668 221 D CB -1.206 39.616 40.800 0.036 0.000 1.060 221 D HN 0.379 nan 8.370 nan 0.000 0.429 222 I N 0.397 121.040 120.570 0.121 0.000 2.321 222 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 222 I C -1.784 174.455 176.117 0.204 0.000 0.998 222 I CA -2.132 59.263 61.300 0.157 0.000 1.227 222 I CB 1.421 39.500 38.000 0.132 0.000 1.368 222 I HN -0.085 nan 8.210 nan 0.000 0.466 223 P HA 0.026 nan 4.420 nan 0.000 0.265 223 P C -0.824 176.641 177.300 0.274 0.000 1.193 223 P CA 0.013 63.330 63.100 0.361 0.000 0.765 223 P CB 0.542 32.515 31.700 0.455 0.000 0.823 224 V N 5.224 125.259 119.914 0.201 0.000 2.357 224 V HA 0.223 4.343 4.120 -0.000 0.000 0.284 224 V C 0.095 176.219 176.094 0.051 0.000 1.018 224 V CA -0.550 61.861 62.300 0.185 0.000 0.841 224 V CB 1.882 33.877 31.823 0.287 0.000 0.991 224 V HN 0.208 nan 8.190 nan 0.000 0.437 225 V N 6.214 126.153 119.914 0.042 0.000 2.370 225 V HA 0.416 4.536 4.120 -0.000 0.000 0.283 225 V C 0.058 176.127 176.094 -0.042 0.000 1.023 225 V CA -0.508 61.723 62.300 -0.115 0.000 0.857 225 V CB 1.527 33.144 31.823 -0.344 0.000 0.985 225 V HN 0.897 nan 8.190 nan 0.000 0.443 226 M N 4.837 124.395 119.600 -0.069 0.000 2.151 226 M HA 0.285 4.765 4.480 -0.000 0.000 0.349 226 M C -0.060 176.212 176.300 -0.046 0.000 1.284 226 M CA 0.014 55.285 55.300 -0.048 0.000 1.173 226 M CB 0.273 32.795 32.600 -0.130 0.000 1.469 226 M HN 0.665 nan 8.290 nan 0.000 0.439 227 D N 2.636 123.035 120.400 -0.001 0.000 2.346 227 D HA 0.086 4.726 4.640 -0.000 0.000 0.260 227 D C -0.490 175.831 176.300 0.035 0.000 1.252 227 D CA 0.260 54.241 54.000 -0.032 0.000 0.895 227 D CB 0.785 41.579 40.800 -0.009 0.000 1.097 227 D HN 0.677 nan 8.370 nan 0.000 0.489 228 S N 2.653 118.359 115.700 0.009 0.000 2.574 228 S HA 0.187 4.657 4.470 -0.000 0.000 0.242 228 S C 1.691 176.435 174.600 0.239 0.000 0.982 228 S CA -0.127 58.156 58.200 0.138 0.000 0.977 228 S CB 0.883 64.081 63.200 -0.004 0.000 0.814 228 S HN 0.590 nan 8.310 nan 0.000 0.464 229 A N 2.694 125.614 122.820 0.166 0.000 1.927 229 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 229 A C 1.647 179.397 177.584 0.277 0.000 1.185 229 A CA 1.315 53.477 52.037 0.208 0.000 0.639 229 A CB -0.173 18.960 19.000 0.221 0.000 0.820 229 A HN 0.489 nan 8.150 nan 0.000 0.451 230 R N -0.696 119.967 120.500 0.271 0.000 2.903 230 R HA 0.256 4.596 4.340 -0.000 0.000 0.363 230 R C 0.666 177.087 176.300 0.201 0.000 1.161 230 R CA 0.035 56.243 56.100 0.180 0.000 1.109 230 R CB -0.006 30.352 30.300 0.097 0.000 1.399 230 R HN 0.651 nan 8.270 nan 0.000 0.587 231 F N -0.423 119.648 119.950 0.201 0.000 2.216 231 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 231 F C 1.971 177.909 175.800 0.230 0.000 1.085 231 F CA 1.053 59.206 58.000 0.255 0.000 1.326 231 F CB -0.367 38.863 39.000 0.383 0.000 1.027 231 F HN 0.048 nan 8.300 nan 0.000 0.497 232 A N 0.994 123.263 122.820 -0.919 0.000 1.873 232 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 232 A C 2.190 179.676 177.584 -0.164 0.000 1.186 232 A CA 1.661 53.337 52.037 -0.602 0.000 0.616 232 A CB -0.913 17.681 19.000 -0.676 0.000 0.823 232 A HN 0.577 nan 8.150 nan 0.000 0.442 233 E N -0.412 119.726 120.200 -0.103 0.000 2.110 233 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 233 E C 1.914 178.615 176.600 0.169 0.000 0.988 233 E CA 1.254 57.636 56.400 -0.030 0.000 0.804 233 E CB -0.297 29.436 29.700 0.055 0.000 0.745 233 E HN 0.707 nan 8.360 nan 0.000 0.458 234 N N 0.963 119.811 118.700 0.247 0.000 2.120 234 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 234 N C 1.763 177.440 175.510 0.280 0.000 1.024 234 N CA 1.501 54.758 53.050 0.346 0.000 0.852 234 N CB -0.094 38.557 38.487 0.275 0.000 1.003 234 N HN 0.151 nan 8.380 nan 0.000 0.424 235 A N -0.711 122.222 122.820 0.189 0.000 1.933 235 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 235 A C 2.129 179.780 177.584 0.112 0.000 1.175 235 A CA 1.306 53.428 52.037 0.142 0.000 0.628 235 A CB -1.158 17.928 19.000 0.142 0.000 0.814 235 A HN 0.610 nan 8.150 nan 0.000 0.444 236 Y N -0.772 119.492 120.300 -0.060 0.000 2.145 236 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 236 Y C 1.915 177.721 175.900 -0.157 0.000 1.145 236 Y CA 1.974 59.969 58.100 -0.174 0.000 1.148 236 Y CB -0.370 37.862 38.460 -0.380 0.000 0.981 236 Y HN 0.274 nan 8.280 nan 0.000 0.507 237 F N -0.105 119.940 119.950 0.158 0.000 2.171 237 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 237 F C 2.313 178.158 175.800 0.075 0.000 1.090 237 F CA 1.366 59.401 58.000 0.060 0.000 1.293 237 F CB -0.780 38.263 39.000 0.072 0.000 1.013 237 F HN 0.057 nan 8.300 nan 0.000 0.486 238 I N -0.042 120.728 120.570 0.333 0.000 2.226 238 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 238 I C 2.539 178.742 176.117 0.144 0.000 1.100 238 I CA 1.467 62.936 61.300 0.282 0.000 1.374 238 I CB -0.423 37.618 38.000 0.068 0.000 1.057 238 I HN 0.082 nan 8.210 nan 0.000 0.413 239 K N 0.362 120.771 120.400 0.016 0.000 2.147 239 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 239 K C 2.043 178.589 176.600 -0.091 0.000 1.049 239 K CA 1.214 57.478 56.287 -0.038 0.000 0.936 239 K CB 0.177 32.611 32.500 -0.109 0.000 0.722 239 K HN 0.271 nan 8.250 nan 0.000 0.446 240 Q N -0.291 119.408 119.800 -0.169 0.000 2.302 240 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 240 Q C 1.534 177.514 176.000 -0.034 0.000 0.936 240 Q CA 0.939 56.650 55.803 -0.153 0.000 0.886 240 Q CB 0.446 29.038 28.738 -0.243 0.000 0.986 240 Q HN 0.350 nan 8.270 nan 0.000 0.487 241 R N 0.063 120.590 120.500 0.045 0.000 2.287 241 R HA 0.174 4.514 4.340 -0.000 0.000 0.197 241 R C 0.421 176.839 176.300 0.196 0.000 0.900 241 R CA -0.044 56.094 56.100 0.062 0.000 1.052 241 R CB 0.698 30.915 30.300 -0.137 0.000 1.117 241 R HN 0.062 nan 8.270 nan 0.000 0.568 242 E N 1.403 121.772 120.200 0.281 0.000 2.001 242 E HA 0.232 4.582 4.350 -0.000 0.000 0.279 242 E C 0.663 177.296 176.600 0.054 0.000 1.045 242 E CA -0.196 56.326 56.400 0.202 0.000 0.833 242 E CB 1.018 30.852 29.700 0.224 0.000 1.077 242 E HN 0.235 nan 8.360 nan 0.000 0.397 243 A N 4.556 127.373 122.820 -0.005 0.000 1.923 243 A HA -0.366 3.954 4.320 -0.000 0.000 0.222 243 A C 1.951 179.438 177.584 -0.162 0.000 1.258 243 A CA 2.362 54.362 52.037 -0.062 0.000 0.670 243 A CB -0.602 18.364 19.000 -0.057 0.000 0.834 243 A HN 0.865 nan 8.150 nan 0.000 0.470 244 E N -1.847 118.152 120.200 -0.336 0.000 2.209 244 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 244 E C 0.913 177.018 176.600 -0.825 0.000 0.993 244 E CA 1.536 57.558 56.400 -0.630 0.000 0.819 244 E CB -0.174 28.927 29.700 -0.998 0.000 0.745 244 E HN 0.817 nan 8.360 nan 0.000 0.477 245 Y N -1.457 118.636 120.300 -0.345 0.000 2.584 245 Y HA 0.279 4.829 4.550 -0.000 0.000 0.254 245 Y C 2.033 177.857 175.900 -0.126 0.000 1.177 245 Y CA 0.410 58.192 58.100 -0.531 0.000 1.216 245 Y CB -0.119 37.947 38.460 -0.655 0.000 1.172 245 Y HN 0.021 nan 8.280 nan 0.000 0.529 246 K N 0.355 120.781 120.400 0.044 0.000 2.127 246 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 246 K C 1.041 177.720 176.600 0.131 0.000 1.047 246 K CA 2.340 58.667 56.287 0.067 0.000 0.927 246 K CB -0.735 31.784 32.500 0.032 0.000 0.716 246 K HN 0.340 nan 8.250 nan 0.000 0.450 247 D N -2.037 118.498 120.400 0.224 0.000 2.342 247 D HA 0.088 4.728 4.640 -0.000 0.000 0.221 247 D C -0.549 175.969 176.300 0.363 0.000 1.101 247 D CA -0.329 53.818 54.000 0.244 0.000 0.837 247 D CB -0.060 40.850 40.800 0.183 0.000 0.938 247 D HN 0.526 nan 8.370 nan 0.000 0.508 248 W N 2.002 123.358 121.300 0.094 0.000 2.283 248 W HA 0.235 4.895 4.660 0.000 0.000 0.341 248 W C 1.197 177.759 176.519 0.071 0.000 1.206 248 W CA -0.851 56.557 57.345 0.105 0.000 1.294 248 W CB 0.350 29.918 29.460 0.179 0.000 1.154 248 W HN -0.284 nan 8.180 nan 0.000 0.613 249 T N -0.416 114.301 114.554 0.273 0.000 2.874 249 T HA 0.238 4.588 4.350 -0.000 0.000 0.281 249 T C 1.184 176.002 174.700 0.196 0.000 0.994 249 T CA -0.692 61.514 62.100 0.176 0.000 1.015 249 T CB 0.887 69.819 68.868 0.107 0.000 1.028 249 T HN 0.239 nan 8.240 nan 0.000 0.523 250 I N 0.907 121.568 120.570 0.151 0.000 2.208 250 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 250 I C 2.376 178.581 176.117 0.148 0.000 1.097 250 I CA 1.500 62.886 61.300 0.144 0.000 1.363 250 I CB -1.537 36.538 38.000 0.126 0.000 1.051 250 I HN 0.720 nan 8.210 nan 0.000 0.413 251 E N 0.738 121.013 120.200 0.125 0.000 2.077 251 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 251 E C 2.229 178.892 176.600 0.106 0.000 0.989 251 E CA 1.086 57.540 56.400 0.090 0.000 0.800 251 E CB -0.352 29.393 29.700 0.074 0.000 0.746 251 E HN 0.546 nan 8.360 nan 0.000 0.452 252 Q N -0.031 119.857 119.800 0.145 0.000 2.079 252 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 252 Q C 2.289 178.527 176.000 0.395 0.000 0.974 252 Q CA 1.107 57.027 55.803 0.195 0.000 0.840 252 Q CB -0.162 28.637 28.738 0.101 0.000 0.898 252 Q HN 0.319 nan 8.270 nan 0.000 0.430 253 I N 0.380 121.187 120.570 0.395 0.000 2.286 253 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 253 I C 2.134 178.354 176.117 0.171 0.000 1.115 253 I CA 1.118 62.550 61.300 0.220 0.000 1.392 253 I CB -0.344 37.701 38.000 0.075 0.000 1.065 253 I HN 0.224 nan 8.210 nan 0.000 0.418 254 T N 0.084 114.767 114.554 0.214 0.000 2.708 254 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 254 T C 2.003 176.879 174.700 0.293 0.000 1.037 254 T CA 1.445 63.721 62.100 0.295 0.000 1.146 254 T CB -0.256 68.751 68.868 0.231 0.000 0.865 254 T HN 0.197 nan 8.240 nan 0.000 0.435 255 R N 1.132 121.727 120.500 0.158 0.000 2.091 255 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 255 R C 2.351 178.762 176.300 0.184 0.000 1.136 255 R CA 1.742 57.921 56.100 0.131 0.000 0.959 255 R CB -0.352 29.997 30.300 0.081 0.000 0.856 255 R HN 0.282 nan 8.270 nan 0.000 0.437 256 E N -0.657 119.678 120.200 0.225 0.000 2.031 256 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 256 E C 1.729 178.407 176.600 0.130 0.000 0.994 256 E CA 2.297 58.827 56.400 0.216 0.000 0.800 256 E CB -0.521 29.370 29.700 0.319 0.000 0.752 256 E HN 0.326 nan 8.360 nan 0.000 0.447 257 T N -0.252 114.383 114.554 0.134 0.000 2.653 257 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 257 T C 1.240 175.898 174.700 -0.070 0.000 1.035 257 T CA 1.786 63.929 62.100 0.073 0.000 1.154 257 T CB -0.606 68.285 68.868 0.038 0.000 0.862 257 T HN 0.290 nan 8.240 nan 0.000 0.441 258 Y N 1.305 121.617 120.300 0.021 0.000 2.619 258 Y HA 0.106 4.656 4.550 -0.000 0.000 0.308 258 Y C 2.090 177.948 175.900 -0.069 0.000 1.192 258 Y CA 0.286 58.388 58.100 0.003 0.000 1.319 258 Y CB -0.228 38.230 38.460 -0.004 0.000 1.030 258 Y HN 0.156 nan 8.280 nan 0.000 0.517 259 K N -0.682 119.535 120.400 -0.306 0.000 2.418 259 K HA -0.019 4.301 4.320 -0.000 0.000 0.195 259 K C -0.437 175.552 176.600 -1.019 0.000 1.035 259 K CA 0.558 56.485 56.287 -0.600 0.000 1.003 259 K CB 0.125 32.167 32.500 -0.762 0.000 0.793 259 K HN 0.344 nan 8.250 nan 0.000 0.494 260 Y N 0.542 120.586 120.300 -0.427 0.000 2.833 260 Y HA 0.415 4.965 4.550 -0.000 0.000 0.339 260 Y C 0.137 175.421 175.900 -1.027 0.000 1.032 260 Y CA -0.817 56.750 58.100 -0.889 0.000 1.450 260 Y CB 0.463 38.708 38.460 -0.358 0.000 1.296 260 Y HN -0.081 nan 8.280 nan 0.000 0.535 261 A N -0.796 121.515 122.820 -0.848 0.000 2.601 261 A HA 0.523 4.843 4.320 -0.000 0.000 0.291 261 A C -0.251 177.180 177.584 -0.255 0.000 1.075 261 A CA -0.683 51.149 52.037 -0.341 0.000 0.671 261 A CB 1.007 19.929 19.000 -0.129 0.000 1.277 261 A HN 0.168 nan 8.150 nan 0.000 0.417 262 D N 0.136 120.424 120.400 -0.187 0.000 2.388 262 D HA 0.178 4.818 4.640 -0.000 0.000 0.208 262 D C 0.535 176.462 176.300 -0.621 0.000 1.035 262 D CA 1.482 55.187 54.000 -0.493 0.000 0.875 262 D CB 0.330 40.625 40.800 -0.841 0.000 0.984 262 D HN 0.696 nan 8.370 nan 0.000 0.508 263 M N -0.357 119.062 119.600 -0.302 0.000 2.833 263 M HA 0.491 4.971 4.480 -0.000 0.000 0.270 263 M C -2.134 174.187 176.300 0.036 0.000 1.209 263 M CA -1.202 54.033 55.300 -0.107 0.000 0.826 263 M CB 2.524 34.968 32.600 -0.259 0.000 1.657 263 M HN -0.207 nan 8.290 nan 0.000 0.492 264 L N -0.187 121.043 121.223 0.013 0.000 2.401 264 L HA 1.095 5.435 4.340 -0.000 0.000 0.266 264 L C -1.413 175.321 176.870 -0.226 0.000 0.991 264 L CA -0.635 54.123 54.840 -0.137 0.000 0.818 264 L CB 2.057 43.953 42.059 -0.272 0.000 1.321 264 L HN 0.925 nan 8.230 nan 0.000 0.413 265 A N 4.629 127.304 122.820 -0.242 0.000 2.335 265 A HA 0.870 5.190 4.320 -0.000 0.000 0.304 265 A C -0.763 176.717 177.584 -0.173 0.000 1.118 265 A CA -0.407 51.514 52.037 -0.193 0.000 0.757 265 A CB 1.350 20.249 19.000 -0.168 0.000 1.188 265 A HN 0.995 nan 8.150 nan 0.000 0.460 266 M N 2.671 122.172 119.600 -0.165 0.000 2.446 266 M HA 0.494 4.974 4.480 -0.000 0.000 0.294 266 M C -0.949 175.290 176.300 -0.103 0.000 1.158 266 M CA -0.322 54.891 55.300 -0.146 0.000 0.899 266 M CB 2.226 34.711 32.600 -0.193 0.000 1.687 266 M HN 0.622 nan 8.290 nan 0.000 0.455 267 S N 3.057 118.714 115.700 -0.071 0.000 2.464 267 S HA 0.515 4.985 4.470 -0.000 0.000 0.313 267 S C 0.868 175.488 174.600 0.032 0.000 1.078 267 S CA 0.093 58.275 58.200 -0.030 0.000 1.096 267 S CB 0.551 63.749 63.200 -0.003 0.000 1.032 267 S HN 0.785 nan 8.310 nan 0.000 0.498 268 A N 5.066 127.900 122.820 0.024 0.000 2.178 268 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 268 A C 1.824 179.460 177.584 0.087 0.000 1.157 268 A CA 0.998 53.075 52.037 0.065 0.000 0.689 268 A CB -0.323 18.701 19.000 0.041 0.000 0.787 268 A HN 0.858 nan 8.150 nan 0.000 0.465 269 K N -0.690 119.757 120.400 0.078 0.000 2.574 269 K HA -0.072 4.248 4.320 -0.000 0.000 0.193 269 K C 1.078 177.745 176.600 0.112 0.000 1.035 269 K CA 0.886 57.226 56.287 0.089 0.000 0.982 269 K CB 0.055 32.608 32.500 0.088 0.000 0.795 269 K HN 0.354 nan 8.250 nan 0.000 0.491 270 K N 0.140 120.618 120.400 0.131 0.000 3.956 270 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 270 K C 1.158 177.850 176.600 0.153 0.000 1.153 270 K CA 0.265 56.639 56.287 0.144 0.000 1.676 270 K CB -0.346 32.242 32.500 0.147 0.000 2.322 270 K HN -0.229 nan 8.250 nan 0.000 0.493 271 D N 0.891 121.386 120.400 0.159 0.000 2.182 271 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 271 D C 1.368 177.763 176.300 0.158 0.000 0.986 271 D CA 1.332 55.412 54.000 0.133 0.000 0.847 271 D CB -0.245 40.540 40.800 -0.024 0.000 0.942 271 D HN 0.374 nan 8.370 nan 0.000 0.467 272 A N -0.188 122.756 122.820 0.208 0.000 2.216 272 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 272 A C 1.248 178.884 177.584 0.086 0.000 1.160 272 A CA 0.640 52.784 52.037 0.178 0.000 0.725 272 A CB -0.552 18.555 19.000 0.179 0.000 0.784 272 A HN 0.285 nan 8.150 nan 0.000 0.472 273 M N -1.958 117.689 119.600 0.078 0.000 2.856 273 M HA -0.179 4.301 4.480 -0.000 0.000 0.189 273 M C 0.179 176.482 176.300 0.004 0.000 0.612 273 M CA 0.638 55.951 55.300 0.021 0.000 0.673 273 M CB -2.351 30.205 32.600 -0.074 0.000 2.440 273 M HN 0.491 nan 8.290 nan 0.000 0.437 274 V N -1.910 118.023 119.914 0.032 0.000 2.617 274 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 274 V C -1.329 174.786 176.094 0.036 0.000 1.048 274 V CA -1.215 61.100 62.300 0.024 0.000 0.964 274 V CB 1.075 32.918 31.823 0.033 0.000 1.004 274 V HN 0.050 nan 8.190 nan 0.000 0.466 275 P HA 0.093 nan 4.420 nan 0.000 0.233 275 P C -0.123 177.210 177.300 0.055 0.000 1.167 275 P CA 0.795 63.919 63.100 0.039 0.000 0.770 275 P CB 0.261 31.977 31.700 0.027 0.000 0.837 276 M N -0.651 118.982 119.600 0.056 0.000 2.373 276 M HA 0.601 5.081 4.480 -0.000 0.000 0.290 276 M C -1.484 174.853 176.300 0.063 0.000 1.143 276 M CA -0.239 55.103 55.300 0.070 0.000 0.949 276 M CB 1.942 34.591 32.600 0.083 0.000 1.756 276 M HN 0.086 nan 8.290 nan 0.000 0.494 277 G N 1.455 110.287 108.800 0.053 0.000 2.318 277 G HA2 0.532 4.492 3.960 -0.000 0.000 0.302 277 G HA3 0.532 4.492 3.960 -0.000 0.000 0.302 277 G C -1.352 173.545 174.900 -0.005 0.000 1.633 277 G CA -0.179 44.943 45.100 0.036 0.000 0.965 277 G HN 1.380 nan 8.290 nan 0.000 0.698 278 G N -0.951 107.834 108.800 -0.025 0.000 2.684 278 G HA2 0.870 4.830 3.960 -0.000 0.000 0.290 278 G HA3 0.870 4.830 3.960 -0.000 0.000 0.290 278 G C -1.468 173.397 174.900 -0.059 0.000 1.425 278 G CA -0.795 44.267 45.100 -0.062 0.000 0.822 278 G HN 1.063 nan 8.290 nan 0.000 0.482 279 L N -0.330 120.841 121.223 -0.087 0.000 2.434 279 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 279 L C -1.527 175.283 176.870 -0.100 0.000 0.983 279 L CA -0.920 53.864 54.840 -0.094 0.000 0.820 279 L CB 2.669 44.638 42.059 -0.150 0.000 1.361 279 L HN 0.462 nan 8.230 nan 0.000 0.410 280 L N 2.760 123.949 121.223 -0.058 0.000 2.457 280 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 280 L C -1.235 175.645 176.870 0.017 0.000 0.979 280 L CA -0.030 54.787 54.840 -0.038 0.000 0.857 280 L CB 1.102 43.160 42.059 -0.002 0.000 1.213 280 L HN 0.653 nan 8.230 nan 0.000 0.418 281 C N 4.472 123.772 119.300 -0.000 0.000 2.634 281 C HA 0.813 5.273 4.460 -0.000 0.000 0.313 281 C C -0.167 174.925 174.990 0.171 0.000 1.198 281 C CA -0.828 58.256 59.018 0.111 0.000 1.605 281 C CB 1.639 29.418 27.740 0.064 0.000 2.196 281 C HN 0.750 nan 8.230 nan 0.000 0.486 282 M N 1.924 121.632 119.600 0.179 0.000 2.364 282 M HA 0.393 4.873 4.480 -0.000 0.000 0.334 282 M C 1.170 177.376 176.300 -0.156 0.000 1.107 282 M CA -0.201 55.110 55.300 0.018 0.000 0.988 282 M CB 1.089 33.761 32.600 0.120 0.000 1.673 282 M HN 0.743 nan 8.290 nan 0.000 0.441 283 K N 1.125 121.103 120.400 -0.704 0.000 2.009 283 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 283 K C -0.243 176.197 176.600 -0.267 0.000 1.049 283 K CA 2.229 57.923 56.287 -0.988 0.000 0.929 283 K CB 0.267 32.152 32.500 -1.025 0.000 0.714 283 K HN 0.961 nan 8.250 nan 0.000 0.440 284 D N -4.063 116.330 120.400 -0.012 0.000 2.825 284 D HA 0.149 4.789 4.640 -0.000 0.000 0.327 284 D C 0.486 177.008 176.300 0.370 0.000 1.277 284 D CA 0.168 54.279 54.000 0.185 0.000 0.950 284 D CB 0.280 41.126 40.800 0.076 0.000 1.438 284 D HN -0.042 nan 8.370 nan 0.000 0.526 285 D N -0.707 119.901 120.400 0.347 0.000 2.190 285 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 285 D C 1.749 178.163 176.300 0.190 0.000 0.992 285 D CA 2.677 56.837 54.000 0.267 0.000 0.854 285 D CB -0.794 40.093 40.800 0.144 0.000 0.936 285 D HN 0.483 nan 8.370 nan 0.000 0.462 286 S N -1.689 114.123 115.700 0.186 0.000 2.465 286 S HA 0.061 4.531 4.470 -0.000 0.000 0.241 286 S C 1.198 175.838 174.600 0.067 0.000 1.000 286 S CA 0.786 59.067 58.200 0.135 0.000 0.964 286 S CB -0.489 62.819 63.200 0.179 0.000 0.763 286 S HN 0.582 nan 8.310 nan 0.000 0.512 287 F N 0.037 120.012 119.950 0.041 0.000 2.698 287 F HA 0.435 4.962 4.527 -0.000 0.000 0.304 287 F C 1.108 176.875 175.800 -0.055 0.000 1.108 287 F CA -1.097 56.907 58.000 0.005 0.000 1.263 287 F CB 0.133 39.130 39.000 -0.005 0.000 1.013 287 F HN 0.165 nan 8.300 nan 0.000 0.532 288 F N 1.264 121.143 119.950 -0.120 0.000 2.161 288 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 288 F C 2.024 177.774 175.800 -0.084 0.000 1.089 288 F CA 1.881 59.713 58.000 -0.279 0.000 1.282 288 F CB -0.160 38.701 39.000 -0.231 0.000 1.010 288 F HN -0.039 nan 8.300 nan 0.000 0.485 289 D N 0.112 120.453 120.400 -0.099 0.000 2.117 289 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 289 D C 2.557 178.752 176.300 -0.175 0.000 0.987 289 D CA 2.046 55.952 54.000 -0.158 0.000 0.829 289 D CB -0.800 39.954 40.800 -0.077 0.000 0.961 289 D HN 0.407 nan 8.370 nan 0.000 0.460 290 V N -0.511 119.349 119.914 -0.090 0.000 2.515 290 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 290 V C 2.254 178.319 176.094 -0.048 0.000 1.058 290 V CA 1.200 63.491 62.300 -0.014 0.000 1.064 290 V CB -1.101 30.817 31.823 0.159 0.000 0.675 290 V HN 0.162 nan 8.190 nan 0.000 0.461 291 Y N 2.663 122.823 120.300 -0.234 0.000 2.114 291 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 291 Y C 2.971 178.652 175.900 -0.365 0.000 1.143 291 Y CA 3.069 60.987 58.100 -0.304 0.000 1.135 291 Y CB -0.573 37.589 38.460 -0.497 0.000 0.980 291 Y HN 0.426 nan 8.280 nan 0.000 0.499 292 T N -1.576 112.596 114.554 -0.636 0.000 2.915 292 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 292 T C 1.632 176.091 174.700 -0.402 0.000 1.071 292 T CA 1.438 63.163 62.100 -0.626 0.000 1.132 292 T CB -0.321 68.225 68.868 -0.536 0.000 0.878 292 T HN 0.367 nan 8.240 nan 0.000 0.479 293 E N 0.383 120.408 120.200 -0.291 0.000 2.152 293 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 293 E C 2.414 178.897 176.600 -0.196 0.000 0.983 293 E CA 0.783 57.069 56.400 -0.191 0.000 0.818 293 E CB -0.712 28.916 29.700 -0.119 0.000 0.758 293 E HN 0.627 nan 8.360 nan 0.000 0.467 294 C N 0.357 119.523 119.300 -0.225 0.000 2.446 294 C HA 0.031 4.491 4.460 -0.000 0.000 0.279 294 C C 2.561 177.377 174.990 -0.290 0.000 1.366 294 C CA 0.072 58.969 59.018 -0.202 0.000 1.763 294 C CB -0.683 26.971 27.740 -0.142 0.000 1.929 294 C HN 0.387 nan 8.230 nan 0.000 0.509 295 R N 0.407 120.648 120.500 -0.431 0.000 2.092 295 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 295 R C 2.114 178.201 176.300 -0.355 0.000 1.119 295 R CA 1.711 57.528 56.100 -0.472 0.000 0.970 295 R CB -0.670 29.270 30.300 -0.600 0.000 0.864 295 R HN 0.508 nan 8.270 nan 0.000 0.440 296 T N 1.577 115.964 114.554 -0.278 0.000 2.777 296 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 296 T C 1.637 176.240 174.700 -0.161 0.000 1.040 296 T CA 0.861 62.843 62.100 -0.196 0.000 1.141 296 T CB -0.127 68.651 68.868 -0.150 0.000 0.868 296 T HN 0.046 nan 8.240 nan 0.000 0.444 297 L N 0.816 121.946 121.223 -0.155 0.000 2.217 297 L HA 0.143 4.483 4.340 -0.000 0.000 0.211 297 L C 2.525 179.314 176.870 -0.134 0.000 1.107 297 L CA 0.988 55.755 54.840 -0.122 0.000 0.783 297 L CB -0.976 41.020 42.059 -0.105 0.000 0.919 297 L HN 0.396 nan 8.230 nan 0.000 0.442 298 C N -1.780 117.412 119.300 -0.180 0.000 2.440 298 C HA -0.104 4.356 4.460 -0.000 0.000 0.278 298 C C 2.676 177.549 174.990 -0.195 0.000 1.295 298 C CA 1.002 59.903 59.018 -0.194 0.000 1.738 298 C CB -0.810 26.776 27.740 -0.257 0.000 1.987 298 C HN 0.415 nan 8.230 nan 0.000 0.492 299 V N 0.811 120.598 119.914 -0.211 0.000 2.469 299 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 299 V C 2.493 178.547 176.094 -0.067 0.000 1.064 299 V CA 2.304 64.514 62.300 -0.149 0.000 1.066 299 V CB -0.599 31.152 31.823 -0.120 0.000 0.667 299 V HN 0.563 nan 8.190 nan 0.000 0.461 300 V N -0.794 119.078 119.914 -0.069 0.000 2.346 300 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 300 V C 2.393 178.467 176.094 -0.033 0.000 1.037 300 V CA 1.488 63.766 62.300 -0.038 0.000 1.029 300 V CB -0.431 31.367 31.823 -0.041 0.000 0.663 300 V HN 0.499 nan 8.190 nan 0.000 0.454 301 Q N -0.706 119.064 119.800 -0.050 0.000 2.250 301 Q HA 0.016 4.356 4.340 -0.000 0.000 0.200 301 Q C 1.869 177.856 176.000 -0.022 0.000 0.941 301 Q CA 0.921 56.704 55.803 -0.034 0.000 0.872 301 Q CB 0.188 28.898 28.738 -0.047 0.000 0.965 301 Q HN 0.618 nan 8.270 nan 0.000 0.480 302 E N -0.689 119.481 120.200 -0.050 0.000 2.406 302 E HA 0.336 4.686 4.350 -0.000 0.000 0.204 302 E C 0.803 177.350 176.600 -0.088 0.000 0.820 302 E CA 0.877 57.254 56.400 -0.039 0.000 1.136 302 E CB 1.359 31.036 29.700 -0.038 0.000 1.129 302 E HN 0.209 nan 8.360 nan 0.000 0.530 303 G N 0.970 109.655 108.800 -0.193 0.000 2.359 303 G HA2 0.073 4.033 3.960 -0.000 0.000 0.293 303 G HA3 0.073 4.033 3.960 -0.000 0.000 0.293 303 G C -1.564 173.029 174.900 -0.512 0.000 1.300 303 G CA -0.821 44.106 45.100 -0.287 0.000 0.888 303 G HN 0.015 nan 8.290 nan 0.000 0.541 304 F N 2.809 122.293 119.950 -0.778 0.000 2.629 304 F HA 0.342 4.869 4.527 -0.000 0.000 0.377 304 F C -0.280 175.094 175.800 -0.709 0.000 1.101 304 F CA -0.544 57.091 58.000 -0.608 0.000 1.301 304 F CB 1.084 39.738 39.000 -0.577 0.000 1.062 304 F HN 0.213 nan 8.300 nan 0.000 0.583 305 P HA -0.131 nan 4.420 nan 0.000 0.236 305 P C 0.657 177.631 177.300 -0.544 0.000 1.172 305 P CA 1.393 64.085 63.100 -0.681 0.000 0.759 305 P CB -0.498 30.787 31.700 -0.693 0.000 0.843 306 T N -5.197 109.101 114.554 -0.427 0.000 3.069 306 T HA 0.093 4.443 4.350 -0.000 0.000 0.252 306 T C 1.154 175.802 174.700 -0.087 0.000 1.053 306 T CA -0.035 61.742 62.100 -0.538 0.000 0.964 306 T CB -0.762 67.857 68.868 -0.414 0.000 1.005 306 T HN 0.289 nan 8.240 nan 0.000 0.532 307 Y N -1.653 118.593 120.300 -0.090 0.000 2.449 307 Y HA 0.520 5.070 4.550 -0.000 0.000 0.283 307 Y C 1.325 177.218 175.900 -0.012 0.000 1.079 307 Y CA -0.514 57.574 58.100 -0.021 0.000 1.099 307 Y CB -0.222 38.204 38.460 -0.057 0.000 1.354 307 Y HN 0.085 nan 8.280 nan 0.000 0.569 308 G N 1.720 110.137 108.800 -0.638 0.000 2.451 308 G HA2 0.075 4.035 3.960 -0.000 0.000 0.296 308 G HA3 0.075 4.035 3.960 -0.000 0.000 0.296 308 G C 1.257 176.092 174.900 -0.109 0.000 0.922 308 G CA 1.253 46.100 45.100 -0.422 0.000 1.074 308 G HN 1.908 nan 8.290 nan 0.000 0.509 309 G N -2.185 106.652 108.800 0.061 0.000 2.157 309 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.239 309 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.239 309 G C 0.225 175.286 174.900 0.268 0.000 0.982 309 G CA 0.318 45.563 45.100 0.242 0.000 0.650 309 G HN 1.238 nan 8.290 nan 0.000 0.527 310 L N 1.206 122.620 121.223 0.318 0.000 2.346 310 L HA 0.524 4.864 4.340 -0.000 0.000 0.276 310 L C 0.810 177.780 176.870 0.167 0.000 1.006 310 L CA -1.146 53.817 54.840 0.204 0.000 0.817 310 L CB 1.546 43.703 42.059 0.162 0.000 1.272 310 L HN 0.478 nan 8.230 nan 0.000 0.421 311 E N 1.453 121.703 120.200 0.082 0.000 2.374 311 E HA 0.179 4.529 4.350 -0.000 0.000 0.260 311 E C 0.968 177.593 176.600 0.042 0.000 1.101 311 E CA -0.137 56.276 56.400 0.022 0.000 0.907 311 E CB 1.004 30.709 29.700 0.008 0.000 1.014 311 E HN 0.712 nan 8.360 nan 0.000 0.427 312 G N 2.278 111.090 108.800 0.019 0.000 2.529 312 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 312 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 312 G C 1.344 176.272 174.900 0.047 0.000 1.177 312 G CA 0.897 46.022 45.100 0.043 0.000 0.773 312 G HN 0.688 nan 8.290 nan 0.000 0.573 313 G N 0.930 109.750 108.800 0.033 0.000 2.442 313 G HA2 0.036 3.996 3.960 -0.000 0.000 0.219 313 G HA3 0.036 3.996 3.960 -0.000 0.000 0.219 313 G C 2.025 176.947 174.900 0.036 0.000 1.141 313 G CA 1.502 46.621 45.100 0.031 0.000 0.763 313 G HN 0.752 nan 8.290 nan 0.000 0.554 314 A N 0.405 123.252 122.820 0.044 0.000 1.972 314 A HA 0.097 4.417 4.320 -0.000 0.000 0.219 314 A C 2.431 180.048 177.584 0.055 0.000 1.169 314 A CA 1.617 53.684 52.037 0.050 0.000 0.635 314 A CB -0.278 18.760 19.000 0.062 0.000 0.810 314 A HN 0.406 nan 8.150 nan 0.000 0.446 315 M N -1.015 118.624 119.600 0.066 0.000 2.236 315 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 315 M C 1.916 178.247 176.300 0.052 0.000 1.070 315 M CA 0.948 56.288 55.300 0.066 0.000 1.137 315 M CB -0.328 32.328 32.600 0.093 0.000 1.378 315 M HN 0.343 nan 8.290 nan 0.000 0.426 316 E N 0.407 120.638 120.200 0.051 0.000 2.077 316 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 316 E C 1.962 178.587 176.600 0.040 0.000 0.989 316 E CA 1.100 57.528 56.400 0.046 0.000 0.800 316 E CB -0.385 29.339 29.700 0.040 0.000 0.746 316 E HN 0.471 nan 8.360 nan 0.000 0.452 317 R N 0.604 121.125 120.500 0.034 0.000 2.081 317 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 317 R C 2.428 178.747 176.300 0.033 0.000 1.131 317 R CA 0.955 57.071 56.100 0.026 0.000 0.960 317 R CB -0.232 30.079 30.300 0.019 0.000 0.856 317 R HN 0.091 nan 8.270 nan 0.000 0.436 318 L N 0.631 121.876 121.223 0.037 0.000 2.093 318 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 318 L C 2.190 179.083 176.870 0.039 0.000 1.085 318 L CA 1.982 56.844 54.840 0.037 0.000 0.755 318 L CB -0.680 41.400 42.059 0.033 0.000 0.904 318 L HN 0.228 nan 8.230 nan 0.000 0.435 319 A N -1.292 121.555 122.820 0.044 0.000 1.978 319 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 319 A C 2.219 179.886 177.584 0.139 0.000 1.170 319 A CA 2.067 54.142 52.037 0.064 0.000 0.636 319 A CB -0.855 18.186 19.000 0.068 0.000 0.810 319 A HN 0.327 nan 8.150 nan 0.000 0.448 320 V N -0.832 119.151 119.914 0.116 0.000 2.500 320 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 320 V C 2.777 178.948 176.094 0.127 0.000 1.039 320 V CA 1.411 63.798 62.300 0.145 0.000 1.053 320 V CB -1.121 30.741 31.823 0.064 0.000 0.695 320 V HN 0.569 nan 8.190 nan 0.000 0.463 321 G N 0.235 109.075 108.800 0.067 0.000 2.442 321 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 321 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 321 G C 1.583 176.529 174.900 0.077 0.000 1.141 321 G CA 0.921 46.049 45.100 0.047 0.000 0.763 321 G HN 0.456 nan 8.290 nan 0.000 0.554 322 L N -1.115 120.141 121.223 0.055 0.000 2.127 322 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 322 L C 2.619 179.461 176.870 -0.047 0.000 1.089 322 L CA 0.970 55.825 54.840 0.024 0.000 0.757 322 L CB -0.333 41.631 42.059 -0.159 0.000 0.899 322 L HN 0.218 nan 8.230 nan 0.000 0.434 323 Y N -0.380 119.949 120.300 0.048 0.000 2.205 323 Y HA -0.134 4.416 4.550 -0.000 0.000 0.292 323 Y C 2.398 178.314 175.900 0.027 0.000 1.119 323 Y CA 0.862 58.976 58.100 0.024 0.000 1.117 323 Y CB -0.432 38.024 38.460 -0.006 0.000 1.037 323 Y HN 0.085 nan 8.280 nan 0.000 0.510 324 D N -0.579 119.921 120.400 0.166 0.000 2.190 324 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 324 D C 2.310 178.618 176.300 0.014 0.000 0.992 324 D CA 1.505 55.529 54.000 0.040 0.000 0.854 324 D CB -0.725 40.042 40.800 -0.055 0.000 0.936 324 D HN 0.430 nan 8.370 nan 0.000 0.462 325 G N -0.308 108.524 108.800 0.052 0.000 2.509 325 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 325 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 325 G C 1.314 176.333 174.900 0.198 0.000 1.124 325 G CA 0.104 45.277 45.100 0.122 0.000 0.776 325 G HN 0.241 nan 8.290 nan 0.000 0.547 326 M N 0.470 120.158 119.600 0.147 0.000 2.495 326 M HA 0.122 4.602 4.480 -0.000 0.000 0.237 326 M C 0.776 177.182 176.300 0.176 0.000 1.131 326 M CA -0.235 55.138 55.300 0.121 0.000 1.032 326 M CB 0.072 32.739 32.600 0.112 0.000 1.513 326 M HN 0.084 nan 8.290 nan 0.000 0.488 327 N N 2.047 120.886 118.700 0.231 0.000 2.411 327 N HA -0.085 4.655 4.740 -0.000 0.000 0.261 327 N C 0.708 176.358 175.510 0.235 0.000 1.248 327 N CA 0.087 53.272 53.050 0.224 0.000 0.885 327 N CB 1.078 39.702 38.487 0.230 0.000 1.062 327 N HN 0.170 nan 8.380 nan 0.000 0.471 328 L N 4.730 126.060 121.223 0.179 0.000 2.017 328 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 328 L C 1.550 178.518 176.870 0.163 0.000 1.073 328 L CA 1.839 56.783 54.840 0.173 0.000 0.745 328 L CB -0.587 41.562 42.059 0.151 0.000 0.894 328 L HN 0.582 nan 8.230 nan 0.000 0.432 329 D N -1.202 119.300 120.400 0.171 0.000 2.117 329 D HA -0.274 4.366 4.640 -0.000 0.000 0.197 329 D C 1.846 178.274 176.300 0.213 0.000 0.987 329 D CA 1.439 55.539 54.000 0.166 0.000 0.829 329 D CB -0.481 40.412 40.800 0.155 0.000 0.961 329 D HN 0.630 nan 8.370 nan 0.000 0.460 330 W N 1.586 122.941 121.300 0.092 0.000 2.353 330 W HA -0.198 4.462 4.660 -0.000 0.000 0.319 330 W C 1.771 178.331 176.519 0.069 0.000 1.207 330 W CA 0.733 58.150 57.345 0.120 0.000 1.291 330 W CB -0.563 28.944 29.460 0.078 0.000 1.159 330 W HN -0.040 nan 8.180 nan 0.000 0.478 331 L N 1.494 122.440 121.223 -0.461 0.000 2.043 331 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 331 L C 2.986 179.317 176.870 -0.897 0.000 1.075 331 L CA 1.846 56.214 54.840 -0.787 0.000 0.752 331 L CB -1.363 40.430 42.059 -0.442 0.000 0.891 331 L HN 0.071 nan 8.230 nan 0.000 0.432 332 A N -0.721 121.785 122.820 -0.522 0.000 1.908 332 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 332 A C 2.187 179.566 177.584 -0.341 0.000 1.181 332 A CA 1.849 53.653 52.037 -0.388 0.000 0.627 332 A CB -0.910 18.106 19.000 0.026 0.000 0.818 332 A HN 0.510 nan 8.150 nan 0.000 0.445 333 Y N 0.211 120.311 120.300 -0.332 0.000 2.089 333 Y HA -0.201 4.349 4.550 -0.000 0.000 0.282 333 Y C 2.559 178.209 175.900 -0.417 0.000 1.139 333 Y CA 2.234 60.169 58.100 -0.275 0.000 1.123 333 Y CB -0.366 38.044 38.460 -0.083 0.000 0.980 333 Y HN 0.212 nan 8.280 nan 0.000 0.493 334 R N 1.201 121.245 120.500 -0.761 0.000 2.094 334 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 334 R C 2.232 178.150 176.300 -0.637 0.000 1.137 334 R CA 2.502 58.098 56.100 -0.839 0.000 0.943 334 R CB -1.086 28.503 30.300 -1.186 0.000 0.850 334 R HN 0.620 nan 8.270 nan 0.000 0.433 335 I N 0.654 120.841 120.570 -0.638 0.000 2.394 335 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 335 I C 2.478 178.387 176.117 -0.347 0.000 1.136 335 I CA 1.120 62.144 61.300 -0.460 0.000 1.425 335 I CB -0.346 37.262 38.000 -0.653 0.000 1.079 335 I HN 0.199 nan 8.210 nan 0.000 0.425 336 A N 0.101 122.666 122.820 -0.425 0.000 1.969 336 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 336 A C 2.324 179.672 177.584 -0.394 0.000 1.169 336 A CA 1.479 53.320 52.037 -0.327 0.000 0.635 336 A CB -0.542 18.270 19.000 -0.313 0.000 0.810 336 A HN 0.497 nan 8.150 nan 0.000 0.445 337 Q N -0.180 119.239 119.800 -0.635 0.000 2.079 337 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 337 Q C 1.891 177.787 176.000 -0.174 0.000 0.974 337 Q CA 1.919 57.355 55.803 -0.612 0.000 0.840 337 Q CB -0.199 28.147 28.738 -0.654 0.000 0.898 337 Q HN 0.378 nan 8.270 nan 0.000 0.430 338 V N 0.946 120.764 119.914 -0.161 0.000 2.343 338 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 338 V C 2.388 178.471 176.094 -0.018 0.000 1.051 338 V CA 2.083 64.351 62.300 -0.054 0.000 1.036 338 V CB -0.676 31.120 31.823 -0.046 0.000 0.654 338 V HN 0.437 nan 8.190 nan 0.000 0.451 339 Q N -0.400 119.382 119.800 -0.030 0.000 2.096 339 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 339 Q C 2.040 178.055 176.000 0.026 0.000 0.982 339 Q CA 2.296 58.098 55.803 -0.001 0.000 0.850 339 Q CB -0.719 28.018 28.738 -0.002 0.000 0.901 339 Q HN 0.730 nan 8.270 nan 0.000 0.422 340 Y N -0.179 120.074 120.300 -0.078 0.000 2.128 340 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 340 Y C 1.865 177.763 175.900 -0.003 0.000 1.154 340 Y CA 1.827 59.913 58.100 -0.022 0.000 1.149 340 Y CB -0.451 38.021 38.460 0.020 0.000 0.976 340 Y HN 0.319 nan 8.280 nan 0.000 0.505 341 L N -0.557 120.719 121.223 0.087 0.000 2.046 341 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 341 L C 2.248 179.054 176.870 -0.108 0.000 1.077 341 L CA 1.636 56.471 54.840 -0.008 0.000 0.747 341 L CB -1.055 41.036 42.059 0.055 0.000 0.896 341 L HN 0.162 nan 8.230 nan 0.000 0.432 342 V N 0.044 119.909 119.914 -0.083 0.000 2.343 342 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 342 V C 2.262 178.282 176.094 -0.124 0.000 1.051 342 V CA 2.022 64.262 62.300 -0.100 0.000 1.036 342 V CB -0.771 31.016 31.823 -0.061 0.000 0.654 342 V HN 0.476 nan 8.190 nan 0.000 0.451 343 D N 0.441 120.763 120.400 -0.129 0.000 2.144 343 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 343 D C 2.181 178.370 176.300 -0.185 0.000 0.978 343 D CA 1.564 55.481 54.000 -0.138 0.000 0.833 343 D CB -0.439 40.287 40.800 -0.122 0.000 0.961 343 D HN 0.491 nan 8.370 nan 0.000 0.470 344 G N 1.002 109.638 108.800 -0.272 0.000 2.418 344 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 344 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 344 G C 1.835 176.630 174.900 -0.174 0.000 1.158 344 G CA 0.248 45.187 45.100 -0.269 0.000 0.771 344 G HN 0.230 nan 8.290 nan 0.000 0.545 345 L N -0.175 120.941 121.223 -0.179 0.000 2.056 345 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 345 L C 2.767 179.546 176.870 -0.152 0.000 1.078 345 L CA 1.348 56.072 54.840 -0.194 0.000 0.749 345 L CB -0.348 41.532 42.059 -0.298 0.000 0.901 345 L HN 0.204 nan 8.230 nan 0.000 0.433 346 E N 0.552 120.671 120.200 -0.135 0.000 2.153 346 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 346 E C 1.953 178.504 176.600 -0.082 0.000 0.988 346 E CA 1.422 57.762 56.400 -0.101 0.000 0.811 346 E CB 0.068 29.715 29.700 -0.088 0.000 0.746 346 E HN 0.622 nan 8.360 nan 0.000 0.466 347 E N 0.275 120.422 120.200 -0.089 0.000 2.274 347 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 347 E C 1.803 178.368 176.600 -0.059 0.000 0.996 347 E CA 1.196 57.553 56.400 -0.071 0.000 0.840 347 E CB -0.523 29.130 29.700 -0.078 0.000 0.772 347 E HN 0.566 nan 8.360 nan 0.000 0.491 348 I N -2.721 117.812 120.570 -0.062 0.000 3.810 348 I HA 0.471 4.641 4.170 -0.000 0.000 0.322 348 I C 1.108 177.204 176.117 -0.035 0.000 1.288 348 I CA 0.245 61.518 61.300 -0.044 0.000 1.143 348 I CB 0.158 38.138 38.000 -0.034 0.000 1.012 348 I HN 0.171 nan 8.210 nan 0.000 0.423 349 G N 1.418 110.193 108.800 -0.042 0.000 2.131 349 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.223 349 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.223 349 G C -0.006 174.874 174.900 -0.032 0.000 0.990 349 G CA 0.013 45.094 45.100 -0.032 0.000 0.671 349 G HN 0.293 nan 8.290 nan 0.000 0.521 350 V N 1.814 121.692 119.914 -0.061 0.000 2.304 350 V HA 0.434 4.554 4.120 -0.000 0.000 0.269 350 V C 0.991 177.024 176.094 -0.103 0.000 1.036 350 V CA -0.756 61.493 62.300 -0.084 0.000 0.840 350 V CB 1.456 33.174 31.823 -0.176 0.000 1.036 350 V HN 0.280 nan 8.190 nan 0.000 0.466 351 V N 4.811 124.687 119.914 -0.063 0.000 2.585 351 V HA 0.125 4.245 4.120 -0.000 0.000 0.296 351 V C 0.429 176.484 176.094 -0.065 0.000 1.035 351 V CA 0.193 62.460 62.300 -0.056 0.000 1.084 351 V CB 0.487 32.293 31.823 -0.029 0.000 0.953 351 V HN 0.989 nan 8.190 nan 0.000 0.483 352 C N 3.540 122.801 119.300 -0.065 0.000 3.044 352 C HA 0.573 5.033 4.460 -0.000 0.000 0.315 352 C C 0.171 175.137 174.990 -0.039 0.000 1.320 352 C CA -0.862 58.125 59.018 -0.052 0.000 1.582 352 C CB 1.586 29.281 27.740 -0.075 0.000 2.039 352 C HN 0.851 nan 8.230 nan 0.000 0.466 353 Q N 1.761 121.547 119.800 -0.023 0.000 2.421 353 Q HA 0.273 4.613 4.340 -0.000 0.000 0.255 353 Q C 0.161 176.111 176.000 -0.083 0.000 1.013 353 Q CA 0.547 56.303 55.803 -0.079 0.000 0.895 353 Q CB 0.506 29.153 28.738 -0.152 0.000 1.271 353 Q HN 0.729 nan 8.270 nan 0.000 0.460 354 Q N 1.800 121.533 119.800 -0.111 0.000 2.349 354 Q HA 0.284 4.624 4.340 -0.000 0.000 0.287 354 Q C -0.519 175.418 176.000 -0.105 0.000 1.044 354 Q CA 0.073 55.814 55.803 -0.102 0.000 0.918 354 Q CB 0.301 28.970 28.738 -0.116 0.000 1.242 354 Q HN 0.716 nan 8.270 nan 0.000 0.405 355 A N 3.096 125.878 122.820 -0.064 0.000 2.583 355 A HA 0.293 4.613 4.320 -0.000 0.000 0.249 355 A C 0.621 178.178 177.584 -0.044 0.000 1.035 355 A CA 0.663 52.684 52.037 -0.026 0.000 0.777 355 A CB -0.468 18.534 19.000 0.004 0.000 0.942 355 A HN 0.884 nan 8.150 nan 0.000 0.516 356 G N 1.350 110.145 108.800 -0.009 0.000 2.782 356 G HA2 0.480 4.440 3.960 -0.000 0.000 0.201 356 G HA3 0.480 4.440 3.960 -0.000 0.000 0.201 356 G C 0.982 176.036 174.900 0.257 0.000 1.374 356 G CA 0.145 45.231 45.100 -0.023 0.000 1.039 356 G HN 1.060 nan 8.290 nan 0.000 0.576 357 G N -1.311 107.715 108.800 0.377 0.000 2.459 357 G HA2 0.070 4.030 3.960 -0.000 0.000 0.213 357 G HA3 0.070 4.030 3.960 -0.000 0.000 0.213 357 G C 1.215 176.275 174.900 0.265 0.000 1.155 357 G CA 1.312 46.662 45.100 0.416 0.000 0.811 357 G HN 0.715 nan 8.290 nan 0.000 0.534 358 H N -0.812 118.344 119.070 0.143 0.000 2.893 358 H HA 0.632 5.188 4.556 -0.000 0.000 0.270 358 H C 0.350 175.729 175.328 0.084 0.000 1.095 358 H CA 0.424 56.534 56.048 0.104 0.000 1.186 358 H CB 0.152 29.992 29.762 0.130 0.000 1.562 358 H HN 0.370 nan 8.280 nan 0.000 0.536 359 A N 0.429 123.076 122.820 -0.289 0.000 2.586 359 A HA 0.676 4.997 4.320 -0.000 0.000 0.291 359 A C -1.392 176.088 177.584 -0.173 0.000 1.062 359 A CA -0.326 51.523 52.037 -0.313 0.000 0.666 359 A CB 0.562 19.184 19.000 -0.631 0.000 1.281 359 A HN 0.533 nan 8.150 nan 0.000 0.421 360 A N 0.413 123.108 122.820 -0.208 0.000 2.274 360 A HA 0.719 5.039 4.320 -0.000 0.000 0.309 360 A C -1.191 176.270 177.584 -0.205 0.000 1.226 360 A CA -0.182 51.793 52.037 -0.103 0.000 0.853 360 A CB -0.345 18.583 19.000 -0.120 0.000 1.146 360 A HN 0.871 nan 8.150 nan 0.000 0.518 361 F N 2.817 122.681 119.950 -0.144 0.000 2.332 361 F HA 0.357 4.884 4.527 -0.000 0.000 0.368 361 F C 0.291 176.023 175.800 -0.113 0.000 1.110 361 F CA -0.537 57.393 58.000 -0.117 0.000 1.087 361 F CB 1.501 40.432 39.000 -0.116 0.000 1.235 361 F HN 0.275 nan 8.300 nan 0.000 0.470 362 V N 2.784 122.692 119.914 -0.009 0.000 2.614 362 V HA 0.026 4.146 4.120 -0.000 0.000 0.291 362 V C 0.211 176.321 176.094 0.028 0.000 1.049 362 V CA -0.440 61.827 62.300 -0.055 0.000 1.038 362 V CB 1.121 32.869 31.823 -0.125 0.000 0.980 362 V HN 0.511 nan 8.190 nan 0.000 0.481 363 D N 4.012 124.421 120.400 0.015 0.000 2.483 363 D HA 0.316 4.956 4.640 -0.000 0.000 0.220 363 D C 1.009 177.331 176.300 0.037 0.000 1.173 363 D CA 0.243 54.264 54.000 0.035 0.000 0.964 363 D CB 1.235 42.047 40.800 0.020 0.000 1.046 363 D HN 0.614 nan 8.370 nan 0.000 0.517 364 A N 3.150 126.001 122.820 0.052 0.000 1.940 364 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 364 A C 2.112 179.711 177.584 0.025 0.000 1.176 364 A CA 1.766 53.833 52.037 0.050 0.000 0.631 364 A CB -0.715 18.316 19.000 0.053 0.000 0.814 364 A HN 0.571 nan 8.150 nan 0.000 0.446 365 G N -0.248 108.563 108.800 0.019 0.000 2.446 365 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 365 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 365 G C 1.685 176.589 174.900 0.008 0.000 1.168 365 G CA 1.184 46.286 45.100 0.002 0.000 0.771 365 G HN 0.592 nan 8.290 nan 0.000 0.551 366 K N -0.591 119.819 120.400 0.017 0.000 2.155 366 K HA 0.098 4.418 4.320 -0.000 0.000 0.203 366 K C 2.297 178.916 176.600 0.032 0.000 1.052 366 K CA 0.532 56.831 56.287 0.020 0.000 0.948 366 K CB -0.152 32.356 32.500 0.014 0.000 0.728 366 K HN 0.260 nan 8.250 nan 0.000 0.448 367 L N 0.607 121.854 121.223 0.041 0.000 2.179 367 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 367 L C 0.585 177.506 176.870 0.086 0.000 1.096 367 L CA 1.534 56.412 54.840 0.064 0.000 0.779 367 L CB 0.213 42.322 42.059 0.083 0.000 0.922 367 L HN 0.019 nan 8.230 nan 0.000 0.443 368 L N 1.508 122.765 121.223 0.055 0.000 2.637 368 L HA 0.308 4.648 4.340 -0.000 0.000 0.241 368 L C -1.539 175.297 176.870 -0.056 0.000 1.398 368 L CA -0.919 53.939 54.840 0.031 0.000 0.895 368 L CB 0.634 42.643 42.059 -0.084 0.000 1.183 368 L HN -0.018 nan 8.230 nan 0.000 0.497 369 P HA -0.193 nan 4.420 nan 0.000 0.225 369 P C 1.132 178.449 177.300 0.029 0.000 1.148 369 P CA 1.345 64.467 63.100 0.037 0.000 0.779 369 P CB -0.063 31.677 31.700 0.066 0.000 0.780 370 H N -0.270 118.794 119.070 -0.009 0.000 2.502 370 H HA 0.134 4.690 4.556 -0.000 0.000 0.283 370 H C 1.016 176.330 175.328 -0.023 0.000 1.015 370 H CA 0.189 56.228 56.048 -0.015 0.000 1.298 370 H CB -1.346 28.408 29.762 -0.013 0.000 1.411 370 H HN 0.046 nan 8.280 nan 0.000 0.556 371 I N 3.366 123.635 120.570 -0.500 0.000 2.304 371 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 371 I C -2.057 173.944 176.117 -0.194 0.000 1.018 371 I CA -2.627 58.479 61.300 -0.324 0.000 1.260 371 I CB 0.668 38.436 38.000 -0.387 0.000 1.390 371 I HN 0.034 nan 8.210 nan 0.000 0.475 372 P HA 0.229 nan 4.420 nan 0.000 0.268 372 P C 0.968 178.173 177.300 -0.157 0.000 1.205 372 P CA 0.763 63.788 63.100 -0.124 0.000 0.771 372 P CB 1.180 32.815 31.700 -0.109 0.000 0.858 373 A N 2.965 125.715 122.820 -0.115 0.000 1.927 373 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 373 A C 2.159 179.610 177.584 -0.221 0.000 1.185 373 A CA 2.813 54.789 52.037 -0.101 0.000 0.639 373 A CB -2.059 16.916 19.000 -0.042 0.000 0.820 373 A HN 0.634 nan 8.150 nan 0.000 0.451 374 D N -1.247 119.004 120.400 -0.249 0.000 2.271 374 D HA -0.154 4.486 4.640 -0.000 0.000 0.207 374 D C 1.821 177.607 176.300 -0.858 0.000 0.983 374 D CA 1.513 55.282 54.000 -0.385 0.000 0.878 374 D CB -0.535 40.142 40.800 -0.204 0.000 0.920 374 D HN 0.759 nan 8.370 nan 0.000 0.479 375 Q N -1.869 117.524 119.800 -0.678 0.000 2.220 375 Q HA 0.366 4.706 4.340 -0.000 0.000 0.205 375 Q C -0.434 175.221 176.000 -0.576 0.000 0.865 375 Q CA -0.530 54.865 55.803 -0.680 0.000 0.960 375 Q CB -0.068 28.481 28.738 -0.315 0.000 1.097 375 Q HN 0.660 nan 8.270 nan 0.000 0.493 376 F N 0.213 120.114 119.950 -0.081 0.000 2.667 376 F HA -0.229 4.298 4.527 -0.000 0.000 0.250 376 F C -1.519 174.214 175.800 -0.113 0.000 1.029 376 F CA -0.355 57.591 58.000 -0.090 0.000 0.944 376 F CB -0.909 37.985 39.000 -0.176 0.000 0.994 376 F HN 0.216 nan 8.300 nan 0.000 0.842 377 P HA -0.262 nan 4.420 nan 0.000 0.218 377 P C 1.499 178.805 177.300 0.010 0.000 1.148 377 P CA 2.137 65.216 63.100 -0.034 0.000 0.822 377 P CB 0.096 31.752 31.700 -0.073 0.000 0.784 378 A N -0.175 122.675 122.820 0.050 0.000 1.969 378 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 378 A C 2.429 180.031 177.584 0.029 0.000 1.169 378 A CA 1.171 53.242 52.037 0.055 0.000 0.635 378 A CB -1.076 17.971 19.000 0.079 0.000 0.810 378 A HN 0.087 nan 8.150 nan 0.000 0.445 379 Q N -0.692 119.109 119.800 0.002 0.000 2.123 379 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 379 Q C 2.411 178.363 176.000 -0.079 0.000 0.966 379 Q CA 1.330 57.076 55.803 -0.096 0.000 0.845 379 Q CB -0.383 28.165 28.738 -0.316 0.000 0.907 379 Q HN 0.642 nan 8.270 nan 0.000 0.439 380 A N 0.694 123.485 122.820 -0.049 0.000 1.898 380 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 380 A C 2.081 179.654 177.584 -0.017 0.000 1.181 380 A CA 1.111 53.125 52.037 -0.038 0.000 0.620 380 A CB -0.634 18.345 19.000 -0.035 0.000 0.819 380 A HN 0.339 nan 8.150 nan 0.000 0.442 381 L N -0.171 121.052 121.223 0.000 0.000 2.046 381 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 381 L C 2.708 179.577 176.870 -0.001 0.000 1.077 381 L CA 2.069 56.919 54.840 0.017 0.000 0.747 381 L CB -0.799 41.301 42.059 0.067 0.000 0.896 381 L HN 0.367 nan 8.230 nan 0.000 0.432 382 A N -1.417 121.404 122.820 0.003 0.000 1.883 382 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 382 A C 2.394 179.984 177.584 0.010 0.000 1.186 382 A CA 1.953 53.989 52.037 -0.001 0.000 0.624 382 A CB -1.480 17.508 19.000 -0.020 0.000 0.822 382 A HN 0.610 nan 8.150 nan 0.000 0.444 383 C N -1.090 118.211 119.300 0.002 0.000 2.425 383 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 383 C C 2.683 177.707 174.990 0.056 0.000 1.280 383 C CA 1.306 60.349 59.018 0.041 0.000 1.744 383 C CB -1.019 26.725 27.740 0.007 0.000 1.989 383 C HN 0.779 nan 8.230 nan 0.000 0.491 384 E N 1.167 121.367 120.200 0.001 0.000 2.031 384 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 384 E C 1.934 178.489 176.600 -0.076 0.000 0.994 384 E CA 1.056 57.437 56.400 -0.033 0.000 0.800 384 E CB -0.546 29.126 29.700 -0.047 0.000 0.752 384 E HN 0.424 nan 8.360 nan 0.000 0.447 385 L N 0.019 121.172 121.223 -0.117 0.000 2.042 385 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 385 L C 2.240 179.075 176.870 -0.058 0.000 1.076 385 L CA 2.066 56.789 54.840 -0.194 0.000 0.749 385 L CB -1.053 40.864 42.059 -0.237 0.000 0.893 385 L HN 0.347 nan 8.230 nan 0.000 0.432 386 Y N 0.824 121.079 120.300 -0.075 0.000 2.145 386 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 386 Y C 2.611 178.504 175.900 -0.010 0.000 1.145 386 Y CA 3.105 61.192 58.100 -0.022 0.000 1.148 386 Y CB -0.881 37.573 38.460 -0.009 0.000 0.981 386 Y HN 0.204 nan 8.280 nan 0.000 0.507 387 K N 0.253 120.591 120.400 -0.103 0.000 2.015 387 K HA -0.188 4.131 4.320 -0.000 0.000 0.216 387 K C 2.200 178.668 176.600 -0.220 0.000 1.052 387 K CA 2.568 58.749 56.287 -0.178 0.000 0.937 387 K CB -1.708 30.758 32.500 -0.056 0.000 0.719 387 K HN 0.331 nan 8.250 nan 0.000 0.446 388 V N -0.054 119.755 119.914 -0.174 0.000 2.252 388 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 388 V C 2.437 178.410 176.094 -0.201 0.000 1.056 388 V CA 2.512 64.695 62.300 -0.195 0.000 1.022 388 V CB -0.492 31.212 31.823 -0.199 0.000 0.641 388 V HN 0.808 nan 8.190 nan 0.000 0.445 389 A N -2.245 120.485 122.820 -0.150 0.000 2.671 389 A HA 0.539 4.859 4.320 -0.000 0.000 0.265 389 A C 1.426 179.084 177.584 0.124 0.000 1.148 389 A CA 0.800 52.828 52.037 -0.014 0.000 0.977 389 A CB 0.709 19.686 19.000 -0.038 0.000 1.242 389 A HN 1.361 nan 8.150 nan 0.000 0.591 390 G N 0.046 108.792 108.800 -0.090 0.000 2.147 390 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 390 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 390 G C -0.035 175.017 174.900 0.253 0.000 1.005 390 G CA 0.413 45.499 45.100 -0.024 0.000 0.713 390 G HN 0.536 nan 8.290 nan 0.000 0.515 391 I N 0.322 121.023 120.570 0.219 0.000 2.359 391 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 391 I C 0.760 177.002 176.117 0.209 0.000 0.987 391 I CA -0.845 60.560 61.300 0.175 0.000 1.225 391 I CB 1.485 39.555 38.000 0.116 0.000 1.366 391 I HN 0.124 nan 8.210 nan 0.000 0.466 392 R N 5.647 126.222 120.500 0.125 0.000 2.393 392 R HA 0.830 5.170 4.340 -0.000 0.000 0.310 392 R C -1.272 175.013 176.300 -0.026 0.000 0.968 392 R CA -0.269 55.857 56.100 0.042 0.000 0.867 392 R CB 1.634 31.922 30.300 -0.020 0.000 1.124 392 R HN 0.814 nan 8.270 nan 0.000 0.450 393 A N 3.329 126.116 122.820 -0.055 0.000 2.530 393 A HA 0.687 5.007 4.320 -0.000 0.000 0.288 393 A C -1.045 176.461 177.584 -0.129 0.000 1.172 393 A CA -0.652 51.339 52.037 -0.077 0.000 0.733 393 A CB 1.629 20.617 19.000 -0.021 0.000 1.320 393 A HN 0.510 nan 8.150 nan 0.000 0.419 394 V N -1.266 118.579 119.914 -0.115 0.000 2.864 394 V HA 0.798 4.918 4.120 -0.000 0.000 0.314 394 V C -0.467 175.625 176.094 -0.002 0.000 1.073 394 V CA -0.749 61.505 62.300 -0.076 0.000 0.956 394 V CB 1.317 33.115 31.823 -0.040 0.000 1.023 394 V HN 1.130 nan 8.190 nan 0.000 0.435 395 E N 1.334 121.579 120.200 0.074 0.000 2.231 395 E HA 0.712 5.062 4.350 -0.000 0.000 0.277 395 E C -0.422 176.229 176.600 0.085 0.000 0.999 395 E CA -0.321 56.130 56.400 0.086 0.000 0.827 395 E CB 1.715 31.486 29.700 0.118 0.000 1.101 395 E HN 1.394 nan 8.360 nan 0.000 0.393 396 I N 2.165 122.787 120.570 0.087 0.000 2.905 396 I HA 0.719 4.889 4.170 -0.000 0.000 0.297 396 I C 0.314 176.473 176.117 0.069 0.000 1.358 396 I CA 0.063 61.410 61.300 0.079 0.000 0.975 396 I CB 0.324 38.430 38.000 0.177 0.000 1.857 396 I HN 0.728 nan 8.210 nan 0.000 0.612 397 G N -0.399 108.440 108.800 0.065 0.000 3.187 397 G HA2 0.426 4.386 3.960 -0.000 0.000 0.175 397 G HA3 0.426 4.386 3.960 -0.000 0.000 0.175 397 G C 0.908 175.867 174.900 0.099 0.000 1.112 397 G CA 0.932 46.076 45.100 0.074 0.000 0.821 397 G HN 0.309 nan 8.290 nan 0.000 0.636 398 S N -0.368 115.450 115.700 0.195 0.000 2.383 398 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 398 S C 1.848 176.651 174.600 0.337 0.000 1.026 398 S CA 1.290 59.659 58.200 0.282 0.000 0.981 398 S CB -0.402 63.010 63.200 0.354 0.000 0.818 398 S HN 0.384 nan 8.310 nan 0.000 0.472 399 F N 1.891 121.883 119.950 0.069 0.000 2.095 399 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 399 F C 2.042 177.708 175.800 -0.223 0.000 1.104 399 F CA 1.289 59.010 58.000 -0.466 0.000 1.232 399 F CB -0.098 38.534 39.000 -0.614 0.000 0.987 399 F HN 0.153 nan 8.300 nan 0.000 0.475 400 L N -0.321 120.741 121.223 -0.270 0.000 2.109 400 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 400 L C 2.221 178.878 176.870 -0.356 0.000 1.086 400 L CA 0.776 55.258 54.840 -0.597 0.000 0.760 400 L CB -0.428 41.297 42.059 -0.556 0.000 0.910 400 L HN 0.263 nan 8.230 nan 0.000 0.437 401 L N 0.729 121.875 121.223 -0.128 0.000 2.127 401 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 401 L C 1.262 178.118 176.870 -0.023 0.000 1.089 401 L CA 1.577 56.401 54.840 -0.028 0.000 0.757 401 L CB -1.178 40.902 42.059 0.036 0.000 0.899 401 L HN 0.551 nan 8.230 nan 0.000 0.434 402 G N -0.935 107.851 108.800 -0.023 0.000 2.681 402 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 402 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 402 G C -0.395 174.523 174.900 0.031 0.000 1.353 402 G CA -0.079 45.014 45.100 -0.011 0.000 0.872 402 G HN 0.544 nan 8.290 nan 0.000 0.557 403 R N -0.163 120.337 120.500 0.001 0.000 2.758 403 R HA 0.553 4.893 4.340 -0.000 0.000 0.265 403 R C -0.743 175.550 176.300 -0.012 0.000 1.016 403 R CA -0.783 55.321 56.100 0.006 0.000 1.040 403 R CB 1.028 31.319 30.300 -0.015 0.000 1.152 403 R HN 0.545 nan 8.270 nan 0.000 0.503 404 D N 2.791 123.186 120.400 -0.009 0.000 2.382 404 D HA 0.033 4.673 4.640 -0.000 0.000 0.259 404 D C -1.264 175.017 176.300 -0.031 0.000 1.224 404 D CA -2.113 51.875 54.000 -0.020 0.000 0.894 404 D CB 1.018 41.810 40.800 -0.015 0.000 1.127 404 D HN 0.258 nan 8.370 nan 0.000 0.487 405 P HA -0.173 nan 4.420 nan 0.000 0.223 405 P C 0.774 178.049 177.300 -0.041 0.000 1.144 405 P CA 1.361 64.433 63.100 -0.046 0.000 0.783 405 P CB 0.234 31.901 31.700 -0.055 0.000 0.771 406 K N -0.613 119.766 120.400 -0.036 0.000 2.172 406 K HA 0.206 4.526 4.320 -0.000 0.000 0.203 406 K C 2.476 179.061 176.600 -0.025 0.000 1.040 406 K CA 1.709 57.977 56.287 -0.031 0.000 0.974 406 K CB -1.838 30.643 32.500 -0.032 0.000 0.857 406 K HN 0.248 nan 8.250 nan 0.000 0.464 407 T N -1.149 113.392 114.554 -0.022 0.000 2.812 407 T HA 0.342 4.692 4.350 -0.000 0.000 0.264 407 T C 2.238 176.928 174.700 -0.016 0.000 1.042 407 T CA 2.568 64.659 62.100 -0.016 0.000 1.140 407 T CB -0.400 68.461 68.868 -0.011 0.000 0.870 407 T HN 1.548 nan 8.240 nan 0.000 0.445 408 G N -0.545 108.243 108.800 -0.020 0.000 2.176 408 G HA2 0.249 4.209 3.960 -0.000 0.000 0.253 408 G HA3 0.249 4.209 3.960 -0.000 0.000 0.253 408 G C 0.337 175.230 174.900 -0.012 0.000 0.979 408 G CA 1.086 46.172 45.100 -0.024 0.000 0.641 408 G HN 1.215 nan 8.290 nan 0.000 0.530 409 K N -0.032 120.367 120.400 -0.002 0.000 2.098 409 K HA 0.864 5.184 4.320 -0.000 0.000 0.258 409 K C 0.421 177.038 176.600 0.028 0.000 0.973 409 K CA 0.149 56.444 56.287 0.013 0.000 0.898 409 K CB 0.558 33.065 32.500 0.011 0.000 1.057 409 K HN 0.987 nan 8.250 nan 0.000 0.447 410 Q N 1.271 121.103 119.800 0.055 0.000 2.269 410 Q HA 0.131 4.471 4.340 -0.000 0.000 0.300 410 Q C -0.547 175.489 176.000 0.060 0.000 1.070 410 Q CA 0.451 56.306 55.803 0.087 0.000 0.957 410 Q CB -0.279 28.531 28.738 0.121 0.000 1.131 410 Q HN 0.544 nan 8.270 nan 0.000 0.377 411 L N 7.428 128.687 121.223 0.060 0.000 2.426 411 L HA 0.328 4.668 4.340 -0.000 0.000 0.271 411 L C -1.685 175.210 176.870 0.042 0.000 1.169 411 L CA -1.836 53.028 54.840 0.040 0.000 0.836 411 L CB 0.344 42.423 42.059 0.034 0.000 1.112 411 L HN 0.726 nan 8.230 nan 0.000 0.465 412 P HA 0.016 nan 4.420 nan 0.000 0.276 412 P C -1.016 176.288 177.300 0.008 0.000 1.230 412 P CA -0.407 62.703 63.100 0.017 0.000 0.776 412 P CB 1.210 32.918 31.700 0.012 0.000 0.888 413 C N 6.267 125.560 119.300 -0.012 0.000 2.345 413 C HA 0.419 4.879 4.460 -0.000 0.000 0.323 413 C C -0.511 174.395 174.990 -0.140 0.000 1.276 413 C CA -1.843 57.139 59.018 -0.060 0.000 1.543 413 C CB 0.693 28.419 27.740 -0.024 0.000 2.211 413 C HN 0.552 nan 8.230 nan 0.000 0.493 414 P HA 0.121 nan 4.420 nan 0.000 0.223 414 P C -0.029 177.045 177.300 -0.377 0.000 1.151 414 P CA 0.927 63.759 63.100 -0.447 0.000 0.787 414 P CB 0.334 31.428 31.700 -1.010 0.000 0.788 415 A N -0.442 122.183 122.820 -0.325 0.000 2.594 415 A HA 0.442 4.762 4.320 -0.000 0.000 0.296 415 A C -1.265 176.296 177.584 -0.037 0.000 1.056 415 A CA -0.689 51.284 52.037 -0.106 0.000 0.693 415 A CB 1.067 20.088 19.000 0.035 0.000 1.278 415 A HN -0.153 nan 8.150 nan 0.000 0.408 416 E N 2.258 122.466 120.200 0.013 0.000 2.103 416 E HA 0.438 4.788 4.350 -0.000 0.000 0.254 416 E C -1.011 175.630 176.600 0.069 0.000 0.940 416 E CA 0.003 56.429 56.400 0.044 0.000 0.771 416 E CB 0.821 30.542 29.700 0.036 0.000 1.153 416 E HN 0.533 nan 8.360 nan 0.000 0.428 417 L N 2.515 123.797 121.223 0.100 0.000 2.325 417 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 417 L C -0.210 176.728 176.870 0.112 0.000 1.023 417 L CA -1.262 53.661 54.840 0.139 0.000 0.811 417 L CB 1.240 43.451 42.059 0.253 0.000 1.249 417 L HN 0.231 nan 8.230 nan 0.000 0.431 418 L N 4.054 125.323 121.223 0.077 0.000 2.280 418 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 418 L C -0.186 176.633 176.870 -0.085 0.000 1.023 418 L CA -0.114 54.745 54.840 0.032 0.000 0.819 418 L CB 0.957 43.069 42.059 0.087 0.000 1.212 418 L HN 0.524 nan 8.230 nan 0.000 0.420 419 R N 5.221 125.602 120.500 -0.198 0.000 2.198 419 R HA 0.318 4.658 4.340 -0.000 0.000 0.339 419 R C -1.278 174.810 176.300 -0.354 0.000 1.020 419 R CA -0.709 55.071 56.100 -0.534 0.000 0.864 419 R CB 0.613 30.508 30.300 -0.675 0.000 1.105 419 R HN 0.583 nan 8.270 nan 0.000 0.463 420 L N 5.156 126.171 121.223 -0.347 0.000 2.422 420 L HA 0.178 4.518 4.340 -0.000 0.000 0.256 420 L C 0.013 176.758 176.870 -0.209 0.000 1.202 420 L CA 0.146 54.879 54.840 -0.178 0.000 1.119 420 L CB 0.614 42.615 42.059 -0.096 0.000 1.383 420 L HN 0.519 nan 8.230 nan 0.000 0.411 421 T N 1.893 116.339 114.554 -0.179 0.000 2.853 421 T HA 0.306 4.656 4.350 -0.000 0.000 0.298 421 T C 0.425 175.137 174.700 0.019 0.000 0.978 421 T CA -0.331 61.712 62.100 -0.095 0.000 1.152 421 T CB 0.838 69.706 68.868 -0.000 0.000 0.914 421 T HN 0.048 nan 8.240 nan 0.000 0.539 422 I N 5.185 125.789 120.570 0.057 0.000 2.306 422 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 422 I C -2.269 173.958 176.117 0.182 0.000 1.036 422 I CA -3.584 57.799 61.300 0.137 0.000 1.221 422 I CB 0.346 38.414 38.000 0.113 0.000 1.385 422 I HN 0.318 nan 8.210 nan 0.000 0.472 423 P HA 0.149 nan 4.420 nan 0.000 0.266 423 P C -0.115 177.285 177.300 0.166 0.000 1.195 423 P CA -0.233 62.957 63.100 0.149 0.000 0.768 423 P CB 0.523 32.269 31.700 0.077 0.000 0.838 424 R N 2.771 123.390 120.500 0.197 0.000 2.489 424 R HA 0.323 4.663 4.340 -0.000 0.000 0.287 424 R C 0.710 177.161 176.300 0.252 0.000 1.053 424 R CA 0.500 56.803 56.100 0.337 0.000 1.036 424 R CB -0.204 30.352 30.300 0.427 0.000 0.966 424 R HN 0.631 nan 8.270 nan 0.000 0.432 425 A N 2.736 125.833 122.820 0.461 0.000 2.704 425 A HA -0.224 4.096 4.320 -0.000 0.000 0.299 425 A C 0.832 178.456 177.584 0.066 0.000 1.507 425 A CA 1.601 53.807 52.037 0.281 0.000 0.776 425 A CB -1.693 17.171 19.000 -0.227 0.000 1.027 425 A HN 0.872 nan 8.150 nan 0.000 0.475 426 T N -2.235 112.335 114.554 0.027 0.000 3.056 426 T HA 0.366 4.716 4.350 -0.000 0.000 0.243 426 T C 0.436 174.911 174.700 -0.375 0.000 0.995 426 T CA 1.243 63.177 62.100 -0.276 0.000 1.091 426 T CB 0.109 68.663 68.868 -0.524 0.000 0.990 426 T HN 0.487 nan 8.240 nan 0.000 0.464 427 Y N 1.777 122.156 120.300 0.132 0.000 2.567 427 Y HA 0.576 5.126 4.550 -0.000 0.000 0.333 427 Y C 0.898 177.031 175.900 0.389 0.000 1.106 427 Y CA -1.546 56.653 58.100 0.165 0.000 1.157 427 Y CB 0.912 39.342 38.460 -0.049 0.000 1.277 427 Y HN 0.013 nan 8.280 nan 0.000 0.490 428 T N -2.842 112.165 114.554 0.755 0.000 2.889 428 T HA 0.188 4.538 4.350 -0.000 0.000 0.278 428 T C 0.879 175.697 174.700 0.196 0.000 0.995 428 T CA -0.655 61.656 62.100 0.353 0.000 0.966 428 T CB 1.347 70.288 68.868 0.122 0.000 1.237 428 T HN 0.747 nan 8.240 nan 0.000 0.591 429 Q N -0.270 119.454 119.800 -0.127 0.000 2.170 429 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 429 Q C 1.927 177.880 176.000 -0.078 0.000 0.976 429 Q CA 1.916 57.505 55.803 -0.358 0.000 0.858 429 Q CB -0.697 27.492 28.738 -0.914 0.000 0.907 429 Q HN 0.879 nan 8.270 nan 0.000 0.433 430 T N -0.448 114.042 114.554 -0.106 0.000 2.788 430 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 430 T C 1.145 175.852 174.700 0.011 0.000 1.044 430 T CA 1.700 63.758 62.100 -0.071 0.000 1.139 430 T CB -0.357 68.408 68.868 -0.171 0.000 0.867 430 T HN 0.544 nan 8.240 nan 0.000 0.454 431 H N 0.501 119.629 119.070 0.098 0.000 2.357 431 H HA 0.042 4.598 4.556 -0.000 0.000 0.301 431 H C 2.416 177.833 175.328 0.148 0.000 1.082 431 H CA 1.088 57.167 56.048 0.051 0.000 1.342 431 H CB -0.113 29.612 29.762 -0.062 0.000 1.389 431 H HN 0.125 nan 8.280 nan 0.000 0.511 432 M N 0.642 120.420 119.600 0.297 0.000 2.080 432 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 432 M C 1.455 177.932 176.300 0.295 0.000 1.068 432 M CA 1.338 56.824 55.300 0.309 0.000 1.109 432 M CB -0.649 32.221 32.600 0.451 0.000 1.342 432 M HN 0.289 nan 8.290 nan 0.000 0.405 433 D N -0.365 120.218 120.400 0.306 0.000 2.144 433 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 433 D C 1.860 178.292 176.300 0.220 0.000 0.984 433 D CA 0.929 55.073 54.000 0.239 0.000 0.834 433 D CB -0.432 40.496 40.800 0.212 0.000 0.955 433 D HN 0.322 nan 8.370 nan 0.000 0.465 434 F N 1.271 121.292 119.950 0.118 0.000 2.134 434 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 434 F C 2.176 178.048 175.800 0.120 0.000 1.097 434 F CA 1.093 59.166 58.000 0.122 0.000 1.264 434 F CB -0.157 38.930 39.000 0.145 0.000 1.001 434 F HN -0.134 nan 8.300 nan 0.000 0.479 435 I N 0.084 120.827 120.570 0.288 0.000 2.179 435 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 435 I C 2.348 178.577 176.117 0.186 0.000 1.088 435 I CA 1.491 62.917 61.300 0.210 0.000 1.357 435 I CB -0.535 37.589 38.000 0.207 0.000 1.051 435 I HN 0.135 nan 8.210 nan 0.000 0.409 436 I N 0.524 121.180 120.570 0.143 0.000 2.226 436 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 436 I C 2.615 178.785 176.117 0.088 0.000 1.100 436 I CA 1.345 62.708 61.300 0.105 0.000 1.374 436 I CB -0.362 37.655 38.000 0.028 0.000 1.057 436 I HN 0.232 nan 8.210 nan 0.000 0.413 437 E N 1.491 121.705 120.200 0.024 0.000 2.077 437 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 437 E C 2.110 178.716 176.600 0.011 0.000 0.989 437 E CA 1.700 58.090 56.400 -0.016 0.000 0.800 437 E CB -0.188 29.470 29.700 -0.070 0.000 0.746 437 E HN 0.421 nan 8.360 nan 0.000 0.452 438 A N -0.354 122.418 122.820 -0.079 0.000 1.902 438 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 438 A C 2.111 179.684 177.584 -0.018 0.000 1.181 438 A CA 1.417 53.400 52.037 -0.090 0.000 0.623 438 A CB -1.013 17.860 19.000 -0.211 0.000 0.818 438 A HN 0.382 nan 8.150 nan 0.000 0.443 439 F N 0.308 120.250 119.950 -0.013 0.000 2.408 439 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 439 F C 2.213 177.999 175.800 -0.024 0.000 1.090 439 F CA 1.519 59.513 58.000 -0.010 0.000 1.427 439 F CB -0.038 38.948 39.000 -0.023 0.000 1.070 439 F HN 0.181 nan 8.300 nan 0.000 0.549 440 K N -0.845 119.607 120.400 0.086 0.000 2.057 440 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 440 K C 1.738 178.261 176.600 -0.129 0.000 1.049 440 K CA 1.845 58.097 56.287 -0.058 0.000 0.931 440 K CB -0.340 32.051 32.500 -0.181 0.000 0.714 440 K HN 0.352 nan 8.250 nan 0.000 0.440 441 H N -0.263 118.777 119.070 -0.051 0.000 2.363 441 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 441 H C 2.072 177.356 175.328 -0.073 0.000 1.074 441 H CA 1.230 57.237 56.048 -0.068 0.000 1.354 441 H CB -0.185 29.518 29.762 -0.098 0.000 1.397 441 H HN -0.104 nan 8.280 nan 0.000 0.516 442 V N 1.098 121.014 119.914 0.003 0.000 2.287 442 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 442 V C 2.392 178.498 176.094 0.019 0.000 1.053 442 V CA 2.166 64.425 62.300 -0.070 0.000 1.027 442 V CB -0.456 31.177 31.823 -0.315 0.000 0.646 442 V HN 0.391 nan 8.190 nan 0.000 0.447 443 K N 0.608 121.051 120.400 0.071 0.000 2.026 443 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 443 K C 2.199 178.818 176.600 0.032 0.000 1.048 443 K CA 1.953 58.287 56.287 0.078 0.000 0.929 443 K CB -0.298 32.253 32.500 0.085 0.000 0.713 443 K HN 0.534 nan 8.250 nan 0.000 0.439 444 E N 0.821 121.024 120.200 0.005 0.000 2.396 444 E HA -0.207 4.143 4.350 -0.000 0.000 0.200 444 E C 1.242 177.842 176.600 -0.000 0.000 1.023 444 E CA 1.689 58.082 56.400 -0.011 0.000 0.857 444 E CB -0.777 28.900 29.700 -0.039 0.000 0.775 444 E HN 0.546 nan 8.360 nan 0.000 0.525 445 N N -2.008 116.698 118.700 0.011 0.000 2.170 445 N HA 0.374 5.114 4.740 -0.000 0.000 0.222 445 N C 1.543 177.064 175.510 0.017 0.000 1.218 445 N CA 0.918 53.973 53.050 0.007 0.000 0.889 445 N CB 0.257 38.748 38.487 0.008 0.000 1.083 445 N HN 0.289 nan 8.380 nan 0.000 0.520 446 A N 0.709 123.550 122.820 0.035 0.000 1.881 446 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 446 A C 2.423 180.055 177.584 0.079 0.000 1.215 446 A CA 2.577 54.662 52.037 0.080 0.000 0.648 446 A CB -1.603 17.451 19.000 0.090 0.000 0.832 446 A HN 0.478 nan 8.150 nan 0.000 0.455 447 S N -0.144 115.533 115.700 -0.039 0.000 2.440 447 S HA -0.208 4.262 4.470 -0.000 0.000 0.240 447 S C 1.521 175.947 174.600 -0.291 0.000 1.014 447 S CA 1.679 59.725 58.200 -0.257 0.000 0.980 447 S CB -0.555 62.534 63.200 -0.184 0.000 0.775 447 S HN 0.663 nan 8.310 nan 0.000 0.499 448 N N 0.320 118.967 118.700 -0.089 0.000 2.236 448 N HA 0.223 4.963 4.740 -0.000 0.000 0.196 448 N C -0.280 175.255 175.510 0.042 0.000 1.114 448 N CA -0.016 53.010 53.050 -0.040 0.000 0.859 448 N CB 0.467 38.938 38.487 -0.027 0.000 0.982 448 N HN 0.490 nan 8.380 nan 0.000 0.493 449 I N 1.963 122.608 120.570 0.126 0.000 2.471 449 I HA 0.090 4.260 4.170 -0.000 0.000 0.286 449 I C 0.935 177.155 176.117 0.171 0.000 1.079 449 I CA -0.238 61.139 61.300 0.130 0.000 1.398 449 I CB 0.431 38.496 38.000 0.109 0.000 1.403 449 I HN -0.020 nan 8.210 nan 0.000 0.530 450 K N 5.130 125.575 120.400 0.075 0.000 2.174 450 K HA 0.615 4.935 4.320 -0.000 0.000 0.275 450 K C 0.426 177.021 176.600 -0.008 0.000 1.015 450 K CA -0.169 56.145 56.287 0.045 0.000 0.933 450 K CB 0.727 33.241 32.500 0.024 0.000 1.025 450 K HN 0.834 nan 8.250 nan 0.000 0.463 451 G N -0.779 107.999 108.800 -0.037 0.000 2.699 451 G HA2 0.560 4.520 3.960 -0.000 0.000 0.246 451 G HA3 0.560 4.520 3.960 -0.000 0.000 0.246 451 G C 0.191 175.049 174.900 -0.070 0.000 1.219 451 G CA 0.279 45.328 45.100 -0.084 0.000 0.866 451 G HN 1.654 nan 8.290 nan 0.000 0.572 452 L N -1.071 120.102 121.223 -0.084 0.000 2.286 452 L HA 1.007 5.347 4.340 -0.000 0.000 0.265 452 L C 0.478 177.309 176.870 -0.065 0.000 1.012 452 L CA -0.303 54.500 54.840 -0.061 0.000 0.818 452 L CB 1.773 43.790 42.059 -0.069 0.000 1.337 452 L HN 1.143 nan 8.230 nan 0.000 0.438 453 T N -0.858 113.669 114.554 -0.045 0.000 2.942 453 T HA 0.636 4.986 4.350 -0.000 0.000 0.327 453 T C -0.877 173.831 174.700 0.012 0.000 1.360 453 T CA -0.358 61.740 62.100 -0.003 0.000 1.055 453 T CB 0.602 69.491 68.868 0.035 0.000 1.261 453 T HN 0.683 nan 8.240 nan 0.000 0.485 454 F N 2.368 122.440 119.950 0.204 0.000 2.595 454 F HA 0.299 4.826 4.527 -0.000 0.000 0.359 454 F C 2.172 178.044 175.800 0.121 0.000 1.147 454 F CA 1.117 59.213 58.000 0.160 0.000 1.341 454 F CB 1.001 40.090 39.000 0.149 0.000 1.104 454 F HN 0.778 nan 8.300 nan 0.000 0.603 455 T N -1.630 113.139 114.554 0.359 0.000 2.993 455 T HA 0.153 4.503 4.350 -0.000 0.000 0.260 455 T C -0.792 174.102 174.700 0.323 0.000 0.939 455 T CA -0.152 62.103 62.100 0.258 0.000 0.886 455 T CB -0.141 68.840 68.868 0.189 0.000 1.209 455 T HN 0.499 nan 8.240 nan 0.000 0.518 456 Y N 1.123 121.564 120.300 0.235 0.000 2.299 456 Y HA 0.593 5.143 4.550 -0.000 0.000 0.318 456 Y C -1.926 174.093 175.900 0.200 0.000 1.205 456 Y CA -1.484 56.713 58.100 0.162 0.000 1.106 456 Y CB 1.391 39.924 38.460 0.122 0.000 1.246 456 Y HN 0.253 nan 8.280 nan 0.000 0.415 457 E N 8.318 128.162 120.200 -0.594 0.000 2.244 457 E HA 0.515 4.865 4.350 -0.000 0.000 0.260 457 E C -2.797 173.381 176.600 -0.702 0.000 0.884 457 E CA -2.203 53.776 56.400 -0.701 0.000 0.777 457 E CB 1.699 30.824 29.700 -0.958 0.000 1.197 457 E HN 0.478 nan 8.360 nan 0.000 0.416 458 P HA 0.122 nan 4.420 nan 0.000 0.272 458 P C 0.290 177.434 177.300 -0.260 0.000 1.230 458 P CA 0.088 62.970 63.100 -0.365 0.000 0.788 458 P CB 0.769 32.328 31.700 -0.235 0.000 0.949 459 K N 0.283 120.583 120.400 -0.166 0.000 2.243 459 K HA 0.315 4.635 4.320 -0.000 0.000 0.201 459 K C 0.856 177.382 176.600 -0.123 0.000 1.051 459 K CA 1.734 57.938 56.287 -0.139 0.000 0.970 459 K CB -0.989 31.454 32.500 -0.096 0.000 0.755 459 K HN 0.548 nan 8.250 nan 0.000 0.465 460 V N -0.485 119.361 119.914 -0.114 0.000 2.735 460 V HA 0.608 4.728 4.120 -0.000 0.000 0.310 460 V C 0.644 176.683 176.094 -0.091 0.000 1.061 460 V CA -1.078 61.163 62.300 -0.099 0.000 0.913 460 V CB 1.399 33.163 31.823 -0.098 0.000 1.005 460 V HN 0.394 nan 8.190 nan 0.000 0.428 461 L N 3.038 124.228 121.223 -0.054 0.000 3.833 461 L HA -0.301 4.039 4.340 -0.000 0.000 0.447 461 L C 2.226 178.993 176.870 -0.172 0.000 1.213 461 L CA 0.839 55.669 54.840 -0.018 0.000 0.801 461 L CB -1.135 40.963 42.059 0.065 0.000 1.676 461 L HN 1.099 nan 8.230 nan 0.000 0.883 462 R N -0.013 120.382 120.500 -0.174 0.000 2.119 462 R HA -0.254 4.086 4.340 -0.000 0.000 0.246 462 R C 2.207 178.285 176.300 -0.370 0.000 1.146 462 R CA 2.215 58.164 56.100 -0.252 0.000 0.962 462 R CB -0.953 29.190 30.300 -0.261 0.000 0.863 462 R HN 0.769 nan 8.270 nan 0.000 0.442 463 H N -0.370 118.296 119.070 -0.673 0.000 2.460 463 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 463 H C 1.587 176.603 175.328 -0.520 0.000 1.103 463 H CA 1.467 56.941 56.048 -0.958 0.000 1.292 463 H CB -0.705 28.418 29.762 -1.066 0.000 1.376 463 H HN 0.367 nan 8.280 nan 0.000 0.531 464 F N 1.984 121.411 119.950 -0.873 0.000 2.206 464 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 464 F C 2.227 177.818 175.800 -0.348 0.000 1.090 464 F CA 1.779 59.248 58.000 -0.884 0.000 1.323 464 F CB 0.243 38.754 39.000 -0.815 0.000 1.028 464 F HN 0.389 nan 8.300 nan 0.000 0.492 465 T N -3.203 111.368 114.554 0.028 0.000 3.209 465 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 465 T C 0.345 175.218 174.700 0.288 0.000 0.977 465 T CA -0.096 62.106 62.100 0.171 0.000 0.922 465 T CB -0.446 68.529 68.868 0.180 0.000 1.152 465 T HN 0.102 nan 8.240 nan 0.000 0.527 466 A N 1.746 124.703 122.820 0.229 0.000 2.346 466 A HA 0.651 4.971 4.320 -0.000 0.000 0.252 466 A C 0.068 177.890 177.584 0.398 0.000 1.089 466 A CA -0.379 51.839 52.037 0.301 0.000 0.797 466 A CB 0.446 19.705 19.000 0.431 0.000 1.047 466 A HN 0.497 nan 8.150 nan 0.000 0.494 467 K N 0.079 120.728 120.400 0.415 0.000 2.371 467 K HA 0.634 4.954 4.320 -0.000 0.000 0.251 467 K C -1.677 175.042 176.600 0.198 0.000 0.934 467 K CA -0.497 55.956 56.287 0.276 0.000 0.798 467 K CB 1.791 34.456 32.500 0.275 0.000 1.204 467 K HN 0.473 nan 8.250 nan 0.000 0.427 468 L N 0.952 122.207 121.223 0.055 0.000 2.257 468 L HA 0.614 4.954 4.340 -0.000 0.000 0.257 468 L C -0.377 176.495 176.870 0.005 0.000 1.033 468 L CA -0.762 54.067 54.840 -0.018 0.000 0.835 468 L CB 1.359 43.301 42.059 -0.196 0.000 1.398 468 L HN 0.530 nan 8.230 nan 0.000 0.429 469 K N -0.536 119.867 120.400 0.004 0.000 2.439 469 K HA 0.399 4.719 4.320 -0.000 0.000 0.260 469 K C 0.088 176.686 176.600 -0.003 0.000 1.032 469 K CA 0.168 56.462 56.287 0.012 0.000 0.882 469 K CB 1.778 34.300 32.500 0.036 0.000 1.420 469 K HN 0.668 nan 8.250 nan 0.000 0.455 470 E N -1.927 118.274 120.200 0.001 0.000 4.665 470 E HA -0.367 3.983 4.350 -0.000 0.000 0.181 470 E C -0.742 175.851 176.600 -0.012 0.000 1.307 470 E CA 2.173 58.571 56.400 -0.003 0.000 2.299 470 E CB -1.314 28.385 29.700 -0.002 0.000 1.862 470 E HN 0.666 nan 8.360 nan 0.000 0.373 471 V N 0.000 119.899 119.914 -0.026 0.000 2.409 471 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 471 V CA 0.000 nan 62.300 nan 0.000 1.235 471 V CB 0.000 nan 31.823 nan 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556