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 3a5y_1_A DATA FIRST_RESID 5 DATA SEQUENCE ASWQPSASIP NLLKRAAIMA EIRRFFADRG VLEVETPCMS QATVTDIHLV DATA SEQUENCE PFETRFVGPG HSQGMNLWLM TSPEYHMKRL LVAGCGPVFQ LCRSFRNEEM DATA SEQUENCE GRYHNPEFTM LEWYRPHYDM YRLMNEVDDL LQQVLDCPAA ESLSYQQAFL DATA SEQUENCE RYLEIDPLSA XXXXXXXXXX XXXXXXXXXX XXXXDTLLQL LFTFGVEPNI DATA SEQUENCE GKEKPTFVYH FPASQASLAQ ISTEDHRVAE RFEVYYKGIE LANGFHELTD DATA SEQUENCE AREQQQRFEQ DNRKRAARGL PQHPIDQNLI EALKVGMPDC SGVALGVDRL DATA SEQUENCE VMLALGAETL AEVIAFSVDR A 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.445 177.584 -0.231 0.000 1.274 5 A CA 0.000 51.949 52.037 -0.147 0.000 0.836 5 A CB 0.000 19.012 19.000 0.019 0.000 0.831 6 S N 0.395 116.067 115.700 -0.048 0.000 2.419 6 S HA -0.124 4.123 4.470 -0.371 0.000 0.233 6 S C 1.596 176.232 174.600 0.059 0.000 1.016 6 S CA 1.724 59.928 58.200 0.007 0.000 0.974 6 S CB -0.436 62.807 63.200 0.072 0.000 0.786 6 S HN 0.968 nan 8.310 nan 0.000 0.492 7 W N 2.070 123.417 121.300 0.079 0.000 2.465 7 W HA 0.079 4.516 4.660 -0.371 0.000 0.268 7 W C 0.217 176.850 176.519 0.190 0.000 1.242 7 W CA -0.167 57.241 57.345 0.106 0.000 1.248 7 W CB -0.640 28.861 29.460 0.068 0.000 1.118 7 W HN 0.271 nan 8.180 nan 0.000 0.587 8 Q N 1.730 121.118 119.800 -0.688 0.000 2.394 8 Q HA 0.181 4.299 4.340 -0.371 0.000 0.248 8 Q C -2.087 173.797 176.000 -0.194 0.000 0.992 8 Q CA -1.779 53.609 55.803 -0.692 0.000 0.888 8 Q CB 0.180 28.339 28.738 -0.965 0.000 1.257 8 Q HN -0.191 nan 8.270 nan 0.000 0.462 9 P HA -0.032 nan 4.420 nan 0.000 0.272 9 P C -0.064 176.981 177.300 -0.425 0.000 1.230 9 P CA 0.035 62.681 63.100 -0.757 0.000 0.788 9 P CB 0.754 32.000 31.700 -0.757 0.000 0.949 10 S N 0.025 115.496 115.700 -0.382 0.000 2.470 10 S HA 0.194 4.441 4.470 -0.371 0.000 0.225 10 S C 0.897 175.384 174.600 -0.189 0.000 1.006 10 S CA 0.027 58.105 58.200 -0.204 0.000 0.934 10 S CB -0.296 62.834 63.200 -0.116 0.000 0.778 10 S HN 0.563 nan 8.310 nan 0.000 0.517 11 A N 2.420 125.099 122.820 -0.234 0.000 2.312 11 A HA 0.694 4.791 4.320 -0.371 0.000 0.326 11 A C 0.463 177.952 177.584 -0.158 0.000 1.172 11 A CA -0.543 51.396 52.037 -0.164 0.000 0.821 11 A CB 0.753 19.667 19.000 -0.143 0.000 1.166 11 A HN 0.478 nan 8.150 nan 0.000 0.493 12 S N 2.061 117.696 115.700 -0.107 0.000 2.585 12 S HA 0.270 4.517 4.470 -0.371 0.000 0.273 12 S C 1.122 175.680 174.600 -0.069 0.000 1.339 12 S CA -0.599 57.550 58.200 -0.086 0.000 1.028 12 S CB 0.311 63.475 63.200 -0.060 0.000 0.906 12 S HN 0.459 nan 8.310 nan 0.000 0.528 13 I N 2.140 122.679 120.570 -0.051 0.000 2.208 13 I HA -0.061 3.886 4.170 -0.371 0.000 0.245 13 I C -0.435 175.669 176.117 -0.022 0.000 1.097 13 I CA 0.650 61.932 61.300 -0.030 0.000 1.363 13 I CB -2.922 35.073 38.000 -0.009 0.000 1.051 13 I HN 0.571 nan 8.210 nan 0.000 0.413 14 P HA -0.161 nan 4.420 nan 0.000 0.216 14 P C 1.359 178.648 177.300 -0.017 0.000 1.150 14 P CA 1.585 64.677 63.100 -0.014 0.000 0.837 14 P CB -0.304 31.388 31.700 -0.014 0.000 0.786 15 N N -0.774 117.911 118.700 -0.026 0.000 2.188 15 N HA -0.093 4.424 4.740 -0.371 0.000 0.184 15 N C 1.567 177.064 175.510 -0.022 0.000 1.018 15 N CA 0.352 53.387 53.050 -0.025 0.000 0.858 15 N CB -0.283 38.183 38.487 -0.036 0.000 0.989 15 N HN -0.008 nan 8.380 nan 0.000 0.426 16 L N 1.268 122.474 121.223 -0.028 0.000 2.141 16 L HA -0.044 4.073 4.340 -0.371 0.000 0.209 16 L C 2.028 178.895 176.870 -0.006 0.000 1.094 16 L CA 1.022 55.850 54.840 -0.020 0.000 0.763 16 L CB -0.946 41.097 42.059 -0.028 0.000 0.908 16 L HN 0.304 nan 8.230 nan 0.000 0.437 17 L N -0.351 120.869 121.223 -0.005 0.000 2.056 17 L HA -0.194 3.924 4.340 -0.371 0.000 0.207 17 L C 2.281 179.152 176.870 0.002 0.000 1.078 17 L CA 1.773 56.614 54.840 0.002 0.000 0.749 17 L CB -0.639 41.421 42.059 0.002 0.000 0.901 17 L HN 0.319 nan 8.230 nan 0.000 0.433 18 K N -0.680 119.720 120.400 -0.001 0.000 2.217 18 K HA -0.159 3.938 4.320 -0.371 0.000 0.202 18 K C 2.080 178.682 176.600 0.003 0.000 1.051 18 K CA 0.781 57.068 56.287 0.001 0.000 0.952 18 K CB -0.001 32.498 32.500 -0.002 0.000 0.736 18 K HN 0.279 nan 8.250 nan 0.000 0.453 19 R N 1.092 121.593 120.500 0.002 0.000 2.075 19 R HA -0.106 4.011 4.340 -0.371 0.000 0.232 19 R C 2.168 178.475 176.300 0.012 0.000 1.126 19 R CA 1.377 57.481 56.100 0.006 0.000 0.963 19 R CB -0.199 30.104 30.300 0.004 0.000 0.858 19 R HN 0.142 nan 8.270 nan 0.000 0.435 20 A N 0.782 123.609 122.820 0.013 0.000 1.933 20 A HA -0.110 3.987 4.320 -0.371 0.000 0.218 20 A C 2.336 179.931 177.584 0.019 0.000 1.175 20 A CA 1.671 53.720 52.037 0.019 0.000 0.628 20 A CB -0.679 18.332 19.000 0.019 0.000 0.814 20 A HN 0.557 nan 8.150 nan 0.000 0.444 21 A N -0.067 122.762 122.820 0.014 0.000 1.898 21 A HA -0.060 4.038 4.320 -0.371 0.000 0.216 21 A C 2.103 179.693 177.584 0.010 0.000 1.181 21 A CA 1.473 53.517 52.037 0.012 0.000 0.620 21 A CB -0.557 18.448 19.000 0.008 0.000 0.819 21 A HN 0.496 nan 8.150 nan 0.000 0.442 22 I N -0.620 119.955 120.570 0.007 0.000 2.315 22 I HA -0.260 3.687 4.170 -0.371 0.000 0.248 22 I C 2.550 178.672 176.117 0.008 0.000 1.117 22 I CA 1.013 62.314 61.300 0.001 0.000 1.404 22 I CB -0.294 37.705 38.000 -0.001 0.000 1.071 22 I HN 0.274 nan 8.210 nan 0.000 0.419 23 M N 0.330 119.944 119.600 0.023 0.000 2.117 23 M HA -0.164 4.093 4.480 -0.371 0.000 0.262 23 M C 2.598 178.930 176.300 0.053 0.000 1.065 23 M CA 1.903 57.229 55.300 0.043 0.000 1.114 23 M CB -1.278 31.350 32.600 0.048 0.000 1.361 23 M HN 0.297 nan 8.290 nan 0.000 0.408 24 A N -0.312 122.533 122.820 0.041 0.000 1.930 24 A HA -0.180 3.917 4.320 -0.371 0.000 0.217 24 A C 2.136 179.742 177.584 0.036 0.000 1.175 24 A CA 1.772 53.836 52.037 0.045 0.000 0.627 24 A CB -0.724 18.296 19.000 0.034 0.000 0.815 24 A HN 0.587 nan 8.150 nan 0.000 0.443 25 E N -0.202 120.008 120.200 0.017 0.000 2.077 25 E HA -0.173 3.954 4.350 -0.371 0.000 0.193 25 E C 1.786 178.379 176.600 -0.013 0.000 0.989 25 E CA 1.233 57.633 56.400 0.001 0.000 0.800 25 E CB -0.125 29.567 29.700 -0.013 0.000 0.746 25 E HN 0.501 nan 8.360 nan 0.000 0.452 26 I N 1.086 121.641 120.570 -0.025 0.000 2.226 26 I HA -0.237 3.710 4.170 -0.371 0.000 0.245 26 I C 2.473 178.590 176.117 -0.000 0.000 1.100 26 I CA 1.301 62.562 61.300 -0.065 0.000 1.374 26 I CB -0.966 37.025 38.000 -0.015 0.000 1.057 26 I HN 0.185 nan 8.210 nan 0.000 0.413 27 R N 0.239 120.784 120.500 0.075 0.000 2.096 27 R HA -0.114 4.003 4.340 -0.371 0.000 0.235 27 R C 2.409 178.758 176.300 0.082 0.000 1.127 27 R CA 1.005 57.191 56.100 0.143 0.000 0.968 27 R CB -0.217 30.208 30.300 0.208 0.000 0.861 27 R HN 0.384 nan 8.270 nan 0.000 0.440 28 R N -0.253 120.274 120.500 0.044 0.000 2.075 28 R HA -0.132 3.985 4.340 -0.371 0.000 0.232 28 R C 2.150 178.422 176.300 -0.047 0.000 1.126 28 R CA 1.413 57.520 56.100 0.012 0.000 0.963 28 R CB -0.439 29.865 30.300 0.007 0.000 0.858 28 R HN 0.175 nan 8.270 nan 0.000 0.435 29 F N 0.783 120.572 119.950 -0.268 0.000 2.091 29 F HA -0.246 4.062 4.527 -0.366 0.000 0.299 29 F C 1.657 177.099 175.800 -0.596 0.000 1.103 29 F CA 1.576 59.302 58.000 -0.457 0.000 1.228 29 F CB -0.210 38.413 39.000 -0.629 0.000 0.984 29 F HN -0.130 nan 8.300 nan 0.000 0.477 30 F N 0.113 119.946 119.950 -0.194 0.000 2.293 30 F HA 0.097 4.397 4.527 -0.378 0.000 0.297 30 F C 2.511 178.199 175.800 -0.186 0.000 1.089 30 F CA 0.896 58.680 58.000 -0.360 0.000 1.377 30 F CB -1.367 37.071 39.000 -0.937 0.000 1.051 30 F HN 0.054 nan 8.300 nan 0.000 0.511 31 A N 0.089 122.939 122.820 0.049 0.000 1.877 31 A HA -0.204 3.893 4.320 -0.371 0.000 0.216 31 A C 1.922 179.494 177.584 -0.020 0.000 1.186 31 A CA 2.103 54.179 52.037 0.065 0.000 0.620 31 A CB -0.879 18.161 19.000 0.067 0.000 0.822 31 A HN 0.241 nan 8.150 nan 0.000 0.443 32 D N -0.621 119.715 120.400 -0.107 0.000 2.265 32 D HA -0.097 4.320 4.640 -0.371 0.000 0.208 32 D C 1.768 177.969 176.300 -0.164 0.000 0.977 32 D CA 0.980 54.892 54.000 -0.147 0.000 0.871 32 D CB -0.190 40.478 40.800 -0.220 0.000 0.925 32 D HN 0.495 nan 8.370 nan 0.000 0.485 33 R N -0.885 119.498 120.500 -0.195 0.000 2.393 33 R HA 0.274 4.391 4.340 -0.371 0.000 0.244 33 R C 1.035 177.328 176.300 -0.011 0.000 0.920 33 R CA 0.381 56.395 56.100 -0.143 0.000 1.076 33 R CB 0.708 30.854 30.300 -0.257 0.000 1.119 33 R HN 0.031 nan 8.270 nan 0.000 0.524 34 G N 1.291 110.104 108.800 0.022 0.000 2.221 34 G HA2 -0.242 3.495 3.960 -0.371 0.000 0.265 34 G HA3 -0.242 3.495 3.960 -0.371 0.000 0.265 34 G C -0.059 174.913 174.900 0.120 0.000 1.041 34 G CA 0.079 45.220 45.100 0.069 0.000 0.807 34 G HN 0.143 nan 8.290 nan 0.000 0.502 35 V N 1.089 121.111 119.914 0.181 0.000 2.370 35 V HA 0.556 4.453 4.120 -0.371 0.000 0.279 35 V C 0.710 177.004 176.094 0.333 0.000 1.029 35 V CA -0.872 61.583 62.300 0.257 0.000 0.870 35 V CB 1.502 33.530 31.823 0.342 0.000 0.984 35 V HN 0.521 nan 8.190 nan 0.000 0.451 36 L N 4.785 126.134 121.223 0.210 0.000 2.410 36 L HA 0.334 4.451 4.340 -0.371 0.000 0.273 36 L C 0.331 177.165 176.870 -0.061 0.000 1.152 36 L CA 0.592 55.498 54.840 0.110 0.000 0.855 36 L CB 0.535 42.623 42.059 0.049 0.000 1.129 36 L HN 0.803 nan 8.230 nan 0.000 0.463 37 E N 4.125 124.172 120.200 -0.255 0.000 2.283 37 E HA 0.525 4.653 4.350 -0.371 0.000 0.278 37 E C -1.055 175.308 176.600 -0.395 0.000 1.027 37 E CA -0.629 55.301 56.400 -0.783 0.000 0.843 37 E CB 1.084 30.298 29.700 -0.811 0.000 1.062 37 E HN 0.619 nan 8.360 nan 0.000 0.401 38 V N 0.615 120.300 119.914 -0.382 0.000 3.102 38 V HA 0.626 4.523 4.120 -0.371 0.000 0.312 38 V C -1.079 174.907 176.094 -0.180 0.000 1.135 38 V CA -0.884 61.295 62.300 -0.201 0.000 1.022 38 V CB 1.998 33.750 31.823 -0.119 0.000 1.056 38 V HN 0.736 nan 8.190 nan 0.000 0.436 39 E N 1.602 121.730 120.200 -0.122 0.000 2.255 39 E HA 0.565 4.692 4.350 -0.371 0.000 0.256 39 E C -0.623 175.920 176.600 -0.095 0.000 0.887 39 E CA -0.519 55.819 56.400 -0.104 0.000 0.782 39 E CB 2.074 31.718 29.700 -0.094 0.000 1.214 39 E HN 1.031 nan 8.360 nan 0.000 0.417 40 T N -0.456 114.040 114.554 -0.096 0.000 2.937 40 T HA 0.611 4.739 4.350 -0.371 0.000 0.283 40 T C -2.373 172.201 174.700 -0.210 0.000 1.012 40 T CA -2.290 59.720 62.100 -0.150 0.000 0.997 40 T CB 0.999 69.815 68.868 -0.086 0.000 1.136 40 T HN 0.006 nan 8.240 nan 0.000 0.551 41 P HA 0.283 nan 4.420 nan 0.000 0.268 41 P C 0.046 177.246 177.300 -0.166 0.000 1.208 41 P CA -0.516 62.399 63.100 -0.309 0.000 0.777 41 P CB 0.223 31.660 31.700 -0.438 0.000 0.875 42 C N 0.487 119.730 119.300 -0.094 0.000 2.780 42 C HA 0.253 4.490 4.460 -0.371 0.000 0.267 42 C C 0.784 175.722 174.990 -0.086 0.000 1.266 42 C CA 0.309 59.329 59.018 0.003 0.000 1.709 42 C CB -0.934 26.838 27.740 0.054 0.000 1.975 42 C HN 0.492 nan 8.230 nan 0.000 0.582 43 M N -0.013 119.515 119.600 -0.121 0.000 2.464 43 M HA 0.437 4.695 4.480 -0.371 0.000 0.308 43 M C -0.512 175.775 176.300 -0.021 0.000 1.127 43 M CA 0.262 55.500 55.300 -0.102 0.000 0.913 43 M CB 2.013 34.501 32.600 -0.186 0.000 1.689 43 M HN 0.003 nan 8.290 nan 0.000 0.445 44 S N 0.164 115.913 115.700 0.081 0.000 2.595 44 S HA 0.365 4.613 4.470 -0.371 0.000 0.281 44 S C -0.134 174.595 174.600 0.214 0.000 1.117 44 S CA -0.555 57.739 58.200 0.157 0.000 0.873 44 S CB 2.041 65.364 63.200 0.205 0.000 1.108 44 S HN 0.843 nan 8.310 nan 0.000 0.477 45 Q N 0.704 120.618 119.800 0.189 0.000 2.444 45 Q HA 0.319 4.436 4.340 -0.371 0.000 0.206 45 Q C 0.475 176.619 176.000 0.238 0.000 0.948 45 Q CA 0.391 56.330 55.803 0.227 0.000 0.946 45 Q CB 0.445 29.276 28.738 0.155 0.000 1.027 45 Q HN 0.615 nan 8.270 nan 0.000 0.513 46 A N -0.336 122.545 122.820 0.101 0.000 2.483 46 A HA 0.766 4.864 4.320 -0.371 0.000 0.286 46 A C -0.447 176.885 177.584 -0.420 0.000 1.207 46 A CA -0.395 51.543 52.037 -0.166 0.000 0.764 46 A CB 2.023 20.965 19.000 -0.096 0.000 1.341 46 A HN -0.010 nan 8.150 nan 0.000 0.428 47 T N -1.966 112.182 114.554 -0.677 0.000 2.598 47 T HA 0.603 4.730 4.350 -0.371 0.000 0.289 47 T C -1.227 173.141 174.700 -0.553 0.000 1.056 47 T CA 0.420 62.099 62.100 -0.702 0.000 1.088 47 T CB 0.720 68.829 68.868 -1.265 0.000 1.519 47 T HN 1.859 nan 8.240 nan 0.000 0.488 48 V N 1.151 120.777 119.914 -0.480 0.000 2.630 48 V HA 0.694 4.592 4.120 -0.371 0.000 0.305 48 V C 1.187 177.178 176.094 -0.171 0.000 1.046 48 V CA 0.236 62.330 62.300 -0.344 0.000 0.934 48 V CB 0.935 32.600 31.823 -0.264 0.000 1.003 48 V HN 1.086 nan 8.190 nan 0.000 0.451 49 T N -1.569 112.868 114.554 -0.195 0.000 3.065 49 T HA 0.047 4.174 4.350 -0.371 0.000 0.252 49 T C 0.651 175.326 174.700 -0.042 0.000 1.099 49 T CA 0.397 62.439 62.100 -0.097 0.000 1.063 49 T CB -0.363 68.426 68.868 -0.131 0.000 0.948 49 T HN 0.860 nan 8.240 nan 0.000 0.506 50 D N 1.598 121.994 120.400 -0.007 0.000 2.662 50 D HA -0.057 4.360 4.640 -0.371 0.000 0.237 50 D C 1.068 177.334 176.300 -0.058 0.000 1.154 50 D CA 0.127 54.135 54.000 0.014 0.000 0.861 50 D CB 0.371 41.214 40.800 0.072 0.000 1.146 50 D HN 0.351 nan 8.370 nan 0.000 0.518 51 I N 3.895 124.356 120.570 -0.183 0.000 2.423 51 I HA -0.270 3.677 4.170 -0.371 0.000 0.254 51 I C 1.865 177.825 176.117 -0.261 0.000 1.151 51 I CA 0.798 61.932 61.300 -0.277 0.000 1.421 51 I CB -0.268 37.502 38.000 -0.383 0.000 1.079 51 I HN 0.497 nan 8.210 nan 0.000 0.431 52 H N -0.095 118.991 119.070 0.026 0.000 2.551 52 H HA 0.252 4.583 4.556 -0.375 0.000 0.266 52 H C 0.383 175.734 175.328 0.038 0.000 0.964 52 H CA 0.150 56.217 56.048 0.031 0.000 1.180 52 H CB 0.189 29.972 29.762 0.036 0.000 1.408 52 H HN 0.141 nan 8.280 nan 0.000 0.563 53 L N 1.098 122.397 121.223 0.127 0.000 2.343 53 L HA 0.231 4.348 4.340 -0.371 0.000 0.275 53 L C 0.096 177.029 176.870 0.105 0.000 1.056 53 L CA -0.646 54.261 54.840 0.112 0.000 0.804 53 L CB 1.997 44.116 42.059 0.100 0.000 1.203 53 L HN -0.205 nan 8.230 nan 0.000 0.440 54 V N 4.770 124.735 119.914 0.084 0.000 2.340 54 V HA 0.373 4.270 4.120 -0.371 0.000 0.277 54 V C -2.182 173.925 176.094 0.022 0.000 1.017 54 V CA -1.275 61.067 62.300 0.069 0.000 0.820 54 V CB 1.343 33.169 31.823 0.005 0.000 1.028 54 V HN 0.661 nan 8.190 nan 0.000 0.436 55 P HA 0.333 nan 4.420 nan 0.000 0.277 55 P C -0.546 176.816 177.300 0.103 0.000 1.240 55 P CA -0.371 62.807 63.100 0.131 0.000 0.798 55 P CB 1.063 32.872 31.700 0.181 0.000 0.979 56 F N 0.638 120.666 119.950 0.131 0.000 2.418 56 F HA 0.205 4.506 4.527 -0.377 0.000 0.341 56 F C 1.391 177.163 175.800 -0.046 0.000 1.120 56 F CA 0.426 58.450 58.000 0.038 0.000 1.232 56 F CB 0.692 39.688 39.000 -0.006 0.000 1.175 56 F HN 0.244 nan 8.300 nan 0.000 0.569 57 E N 0.570 120.799 120.200 0.049 0.000 2.238 57 E HA 0.501 4.628 4.350 -0.371 0.000 0.267 57 E C -0.878 175.603 176.600 -0.197 0.000 0.887 57 E CA -0.894 55.344 56.400 -0.271 0.000 0.769 57 E CB 2.405 31.819 29.700 -0.475 0.000 1.187 57 E HN 0.476 nan 8.360 nan 0.000 0.416 58 T N 0.900 115.295 114.554 -0.266 0.000 2.868 58 T HA 0.511 4.638 4.350 -0.371 0.000 0.306 58 T C -1.645 172.959 174.700 -0.160 0.000 1.224 58 T CA -0.783 61.212 62.100 -0.175 0.000 1.012 58 T CB 1.402 70.177 68.868 -0.154 0.000 1.221 58 T HN 0.345 nan 8.240 nan 0.000 0.499 59 R N 2.216 122.662 120.500 -0.090 0.000 2.346 59 R HA 0.671 4.788 4.340 -0.371 0.000 0.311 59 R C -1.512 174.826 176.300 0.064 0.000 0.983 59 R CA -0.777 55.299 56.100 -0.041 0.000 0.880 59 R CB 0.514 30.781 30.300 -0.054 0.000 1.100 59 R HN 0.606 nan 8.270 nan 0.000 0.453 60 F N 5.103 124.992 119.950 -0.103 0.000 2.458 60 F HA 0.290 4.595 4.527 -0.369 0.000 0.336 60 F C 0.838 176.592 175.800 -0.076 0.000 1.114 60 F CA -0.931 57.019 58.000 -0.085 0.000 0.987 60 F CB 1.708 40.662 39.000 -0.077 0.000 1.130 60 F HN 0.380 nan 8.300 nan 0.000 0.458 61 V N 6.473 126.168 119.914 -0.364 0.000 2.594 61 V HA 0.039 3.936 4.120 -0.371 0.000 0.253 61 V C 1.308 176.916 176.094 -0.810 0.000 1.069 61 V CA 1.910 63.930 62.300 -0.467 0.000 1.082 61 V CB -1.284 30.374 31.823 -0.276 0.000 0.680 61 V HN 1.262 nan 8.190 nan 0.000 0.469 62 G N -0.069 107.616 108.800 -1.858 0.000 2.682 62 G HA2 -0.250 3.488 3.960 -0.371 0.000 0.256 62 G HA3 -0.250 3.488 3.960 -0.371 0.000 0.256 62 G C -2.077 172.430 174.900 -0.655 0.000 1.333 62 G CA -0.242 44.013 45.100 -1.408 0.000 0.904 62 G HN 0.507 nan 8.290 nan 0.000 0.569 63 P HA 0.233 nan 4.420 nan 0.000 0.264 63 P C 1.332 178.445 177.300 -0.312 0.000 1.183 63 P CA 0.861 63.794 63.100 -0.278 0.000 0.763 63 P CB 0.301 31.823 31.700 -0.296 0.000 0.807 64 G N 2.584 111.302 108.800 -0.135 0.000 2.517 64 G HA2 -0.291 3.446 3.960 -0.371 0.000 0.222 64 G HA3 -0.291 3.446 3.960 -0.371 0.000 0.222 64 G C 1.242 176.098 174.900 -0.072 0.000 1.109 64 G CA 0.804 45.849 45.100 -0.091 0.000 0.746 64 G HN 0.754 nan 8.290 nan 0.000 0.576 65 H N 0.429 119.462 119.070 -0.062 0.000 2.448 65 H HA 0.097 4.430 4.556 -0.371 0.000 0.292 65 H C 1.755 177.050 175.328 -0.055 0.000 1.035 65 H CA 0.884 56.903 56.048 -0.049 0.000 1.349 65 H CB -0.786 28.955 29.762 -0.035 0.000 1.425 65 H HN 0.390 nan 8.280 nan 0.000 0.539 66 S N 0.422 115.737 115.700 -0.643 0.000 2.617 66 S HA -0.052 4.195 4.470 -0.371 0.000 0.255 66 S C 1.086 175.558 174.600 -0.214 0.000 1.318 66 S CA -0.148 57.815 58.200 -0.395 0.000 0.978 66 S CB 1.428 64.342 63.200 -0.477 0.000 0.961 66 S HN 0.449 nan 8.310 nan 0.000 0.582 67 Q N 0.115 119.824 119.800 -0.151 0.000 2.360 67 Q HA 0.398 4.515 4.340 -0.371 0.000 0.202 67 Q C 0.773 176.692 176.000 -0.134 0.000 0.915 67 Q CA 0.719 56.456 55.803 -0.111 0.000 0.943 67 Q CB -0.497 28.201 28.738 -0.066 0.000 1.064 67 Q HN 1.279 nan 8.270 nan 0.000 0.511 68 G N 0.314 108.998 108.800 -0.193 0.000 2.660 68 G HA2 -0.136 3.601 3.960 -0.371 0.000 0.247 68 G HA3 -0.136 3.601 3.960 -0.371 0.000 0.247 68 G C -0.533 174.289 174.900 -0.131 0.000 1.328 68 G CA -0.270 44.698 45.100 -0.219 0.000 0.884 68 G HN 0.621 nan 8.290 nan 0.000 0.531 69 M N -1.901 117.653 119.600 -0.077 0.000 2.732 69 M HA 0.628 4.885 4.480 -0.371 0.000 0.272 69 M C -1.350 174.962 176.300 0.021 0.000 1.203 69 M CA -1.237 54.066 55.300 0.004 0.000 0.841 69 M CB 1.699 34.338 32.600 0.065 0.000 1.685 69 M HN 0.505 nan 8.290 nan 0.000 0.492 70 N N 1.349 120.042 118.700 -0.012 0.000 2.498 70 N HA 0.736 5.253 4.740 -0.371 0.000 0.287 70 N C -1.543 173.895 175.510 -0.121 0.000 1.097 70 N CA -0.277 52.694 53.050 -0.132 0.000 0.973 70 N CB 1.588 39.944 38.487 -0.219 0.000 1.153 70 N HN 0.466 nan 8.380 nan 0.000 0.472 71 L N 1.163 122.236 121.223 -0.249 0.000 2.354 71 L HA 0.576 4.693 4.340 -0.371 0.000 0.264 71 L C -1.254 175.410 176.870 -0.343 0.000 1.008 71 L CA -0.675 54.079 54.840 -0.144 0.000 0.819 71 L CB 1.440 43.446 42.059 -0.089 0.000 1.339 71 L HN 0.506 nan 8.230 nan 0.000 0.420 72 W N 2.791 124.050 121.300 -0.069 0.000 2.702 72 W HA 0.673 5.111 4.660 -0.370 0.000 0.331 72 W C -0.723 175.745 176.519 -0.085 0.000 1.049 72 W CA -0.547 56.753 57.345 -0.075 0.000 1.230 72 W CB 0.893 30.288 29.460 -0.108 0.000 1.408 72 W HN 0.137 nan 8.180 nan 0.000 0.492 73 L N 4.323 125.615 121.223 0.115 0.000 2.417 73 L HA 0.251 4.369 4.340 -0.371 0.000 0.268 73 L C 0.577 177.533 176.870 0.143 0.000 1.158 73 L CA -0.599 54.220 54.840 -0.035 0.000 0.819 73 L CB 0.319 42.228 42.059 -0.250 0.000 1.112 73 L HN 0.232 nan 8.230 nan 0.000 0.458 74 M N 1.936 121.630 119.600 0.157 0.000 2.188 74 M HA 0.060 4.317 4.480 -0.371 0.000 0.354 74 M C 1.295 177.711 176.300 0.194 0.000 1.342 74 M CA 0.054 55.447 55.300 0.155 0.000 1.117 74 M CB 0.773 33.451 32.600 0.131 0.000 1.670 74 M HN 0.705 nan 8.290 nan 0.000 0.466 75 T N -1.095 113.522 114.554 0.104 0.000 3.023 75 T HA 0.052 4.180 4.350 -0.371 0.000 0.266 75 T C 0.779 175.521 174.700 0.070 0.000 1.093 75 T CA 0.606 62.779 62.100 0.121 0.000 1.129 75 T CB 0.105 69.026 68.868 0.089 0.000 0.899 75 T HN 0.668 nan 8.240 nan 0.000 0.491 76 S N 0.928 116.638 115.700 0.017 0.000 2.586 76 S HA 0.408 4.655 4.470 -0.371 0.000 0.277 76 S C -2.942 171.675 174.600 0.028 0.000 1.131 76 S CA -0.962 57.249 58.200 0.018 0.000 0.848 76 S CB 1.881 65.107 63.200 0.043 0.000 1.091 76 S HN -0.031 nan 8.310 nan 0.000 0.453 77 P HA 0.149 nan 4.420 nan 0.000 0.255 77 P C 0.938 178.335 177.300 0.161 0.000 1.301 77 P CA 0.105 63.280 63.100 0.125 0.000 0.817 77 P CB 0.062 31.821 31.700 0.098 0.000 1.259 78 E N 0.719 121.019 120.200 0.166 0.000 2.065 78 E HA -0.239 3.889 4.350 -0.371 0.000 0.201 78 E C 1.440 178.178 176.600 0.230 0.000 1.016 78 E CA 1.519 58.063 56.400 0.240 0.000 0.818 78 E CB -0.675 29.223 29.700 0.330 0.000 0.749 78 E HN 0.352 nan 8.360 nan 0.000 0.453 79 Y N -1.069 119.196 120.300 -0.059 0.000 2.181 79 Y HA -0.226 4.096 4.550 -0.380 0.000 0.288 79 Y C 2.467 178.219 175.900 -0.247 0.000 1.146 79 Y CA 1.071 59.070 58.100 -0.169 0.000 1.164 79 Y CB -0.203 38.106 38.460 -0.251 0.000 0.982 79 Y HN 0.292 nan 8.280 nan 0.000 0.515 80 H N -1.038 118.102 119.070 0.117 0.000 2.395 80 H HA -0.101 4.230 4.556 -0.375 0.000 0.299 80 H C 2.169 177.476 175.328 -0.035 0.000 1.070 80 H CA 1.356 57.422 56.048 0.030 0.000 1.356 80 H CB -0.121 29.650 29.762 0.016 0.000 1.401 80 H HN 0.300 nan 8.280 nan 0.000 0.524 81 M N 0.259 119.877 119.600 0.030 0.000 2.175 81 M HA -0.135 4.122 4.480 -0.371 0.000 0.264 81 M C 1.825 177.959 176.300 -0.277 0.000 1.063 81 M CA 1.440 56.667 55.300 -0.122 0.000 1.119 81 M CB -0.026 32.485 32.600 -0.149 0.000 1.377 81 M HN 0.176 nan 8.290 nan 0.000 0.415 82 K N 0.020 120.240 120.400 -0.300 0.000 2.097 82 K HA -0.105 3.992 4.320 -0.371 0.000 0.205 82 K C 2.031 178.542 176.600 -0.149 0.000 1.050 82 K CA 1.129 57.250 56.287 -0.278 0.000 0.938 82 K CB -0.088 32.283 32.500 -0.216 0.000 0.718 82 K HN 0.307 nan 8.250 nan 0.000 0.442 83 R N 0.701 121.145 120.500 -0.095 0.000 2.092 83 R HA -0.043 4.074 4.340 -0.371 0.000 0.231 83 R C 2.271 178.549 176.300 -0.037 0.000 1.119 83 R CA 0.954 57.023 56.100 -0.052 0.000 0.970 83 R CB -0.246 30.043 30.300 -0.018 0.000 0.864 83 R HN 0.140 nan 8.270 nan 0.000 0.440 84 L N 0.390 121.591 121.223 -0.038 0.000 2.093 84 L HA -0.169 3.948 4.340 -0.371 0.000 0.208 84 L C 2.229 179.077 176.870 -0.038 0.000 1.085 84 L CA 1.068 55.891 54.840 -0.027 0.000 0.755 84 L CB -0.369 41.676 42.059 -0.023 0.000 0.904 84 L HN 0.203 nan 8.230 nan 0.000 0.435 85 L N -0.969 120.211 121.223 -0.072 0.000 2.046 85 L HA -0.208 3.909 4.340 -0.371 0.000 0.208 85 L C 2.510 179.358 176.870 -0.036 0.000 1.077 85 L CA 0.930 55.735 54.840 -0.059 0.000 0.747 85 L CB -0.569 41.430 42.059 -0.100 0.000 0.896 85 L HN 0.049 nan 8.230 nan 0.000 0.432 86 V N 0.063 119.951 119.914 -0.043 0.000 2.490 86 V HA -0.258 3.639 4.120 -0.371 0.000 0.250 86 V C 2.433 178.521 176.094 -0.010 0.000 1.061 86 V CA 1.705 63.990 62.300 -0.025 0.000 1.064 86 V CB -0.864 30.939 31.823 -0.033 0.000 0.670 86 V HN 0.497 nan 8.190 nan 0.000 0.461 87 A N -0.569 122.245 122.820 -0.010 0.000 2.238 87 A HA 0.411 4.509 4.320 -0.371 0.000 0.208 87 A C 1.815 179.403 177.584 0.006 0.000 1.177 87 A CA 0.895 52.932 52.037 -0.000 0.000 0.804 87 A CB -0.523 18.477 19.000 0.000 0.000 0.823 87 A HN 1.251 nan 8.150 nan 0.000 0.482 88 G N -1.440 107.365 108.800 0.008 0.000 2.142 88 G HA2 -0.317 3.420 3.960 -0.371 0.000 0.225 88 G HA3 -0.317 3.420 3.960 -0.371 0.000 0.225 88 G C 0.962 175.874 174.900 0.021 0.000 1.015 88 G CA 0.598 45.709 45.100 0.019 0.000 0.716 88 G HN 1.434 nan 8.290 nan 0.000 0.508 89 C N -0.616 118.692 119.300 0.013 0.000 2.456 89 C HA 0.530 4.767 4.460 -0.371 0.000 0.279 89 C C 2.243 177.253 174.990 0.033 0.000 1.427 89 C CA 0.505 59.534 59.018 0.018 0.000 1.778 89 C CB -1.284 26.460 27.740 0.007 0.000 1.842 89 C HN 2.484 nan 8.230 nan 0.000 0.531 90 G N 1.309 110.131 108.800 0.037 0.000 2.698 90 G HA2 -0.071 3.667 3.960 -0.371 0.000 0.233 90 G HA3 -0.071 3.667 3.960 -0.371 0.000 0.233 90 G C -2.642 172.297 174.900 0.065 0.000 1.352 90 G CA -0.258 44.873 45.100 0.052 0.000 0.879 90 G HN 0.536 nan 8.290 nan 0.000 0.567 91 P HA 0.424 nan 4.420 nan 0.000 0.267 91 P C 0.080 177.469 177.300 0.148 0.000 1.205 91 P CA 0.840 64.009 63.100 0.115 0.000 0.765 91 P CB 0.939 32.697 31.700 0.097 0.000 0.828 92 V N 1.435 121.466 119.914 0.195 0.000 3.114 92 V HA 0.829 4.726 4.120 -0.371 0.000 0.308 92 V C -0.703 175.536 176.094 0.241 0.000 1.168 92 V CA -1.138 61.264 62.300 0.169 0.000 1.015 92 V CB 1.927 33.804 31.823 0.090 0.000 1.050 92 V HN 0.542 nan 8.190 nan 0.000 0.433 93 F N 0.152 120.046 119.950 -0.093 0.000 2.650 93 F HA 0.936 5.233 4.527 -0.383 0.000 0.320 93 F C -0.757 174.973 175.800 -0.116 0.000 1.091 93 F CA -0.866 57.013 58.000 -0.202 0.000 0.962 93 F CB 2.101 40.572 39.000 -0.881 0.000 1.363 93 F HN 0.874 nan 8.300 nan 0.000 0.482 94 Q N 1.597 121.342 119.800 -0.092 0.000 2.353 94 Q HA 0.570 4.687 4.340 -0.371 0.000 0.275 94 Q C -2.368 173.643 176.000 0.020 0.000 1.029 94 Q CA -0.743 54.951 55.803 -0.181 0.000 0.848 94 Q CB 2.581 31.276 28.738 -0.072 0.000 1.390 94 Q HN 0.988 nan 8.270 nan 0.000 0.401 95 L N 4.338 125.551 121.223 -0.017 0.000 2.387 95 L HA 0.508 4.625 4.340 -0.371 0.000 0.259 95 L C -0.546 176.312 176.870 -0.021 0.000 1.050 95 L CA -0.707 54.162 54.840 0.048 0.000 0.922 95 L CB 0.626 42.748 42.059 0.105 0.000 1.280 95 L HN 0.802 nan 8.230 nan 0.000 0.449 96 C N 0.298 119.570 119.300 -0.045 0.000 2.668 96 C HA 0.812 5.049 4.460 -0.371 0.000 0.355 96 C C 0.080 174.967 174.990 -0.171 0.000 1.277 96 C CA -1.245 57.721 59.018 -0.088 0.000 1.787 96 C CB 1.731 29.425 27.740 -0.077 0.000 2.233 96 C HN 0.727 nan 8.230 nan 0.000 0.495 97 R N 1.150 121.520 120.500 -0.216 0.000 2.265 97 R HA 0.638 4.755 4.340 -0.371 0.000 0.319 97 R C -0.386 175.519 176.300 -0.658 0.000 1.006 97 R CA 0.337 56.173 56.100 -0.440 0.000 0.880 97 R CB 0.725 30.798 30.300 -0.377 0.000 1.077 97 R HN 0.968 nan 8.270 nan 0.000 0.454 98 S N 3.512 118.624 115.700 -0.979 0.000 2.621 98 S HA 0.666 4.913 4.470 -0.371 0.000 0.302 98 S C -1.235 172.710 174.600 -1.092 0.000 1.093 98 S CA -0.433 57.233 58.200 -0.891 0.000 1.017 98 S CB 0.814 63.446 63.200 -0.947 0.000 1.077 98 S HN 0.420 nan 8.310 nan 0.000 0.517 99 F N 1.107 120.984 119.950 -0.122 0.000 2.547 99 F HA 0.608 4.915 4.527 -0.368 0.000 0.316 99 F C 0.230 176.250 175.800 0.367 0.000 1.121 99 F CA -0.779 57.318 58.000 0.162 0.000 0.911 99 F CB 1.653 40.744 39.000 0.151 0.000 1.179 99 F HN 0.232 nan 8.300 nan 0.000 0.443 100 R N 1.134 122.035 120.500 0.667 0.000 2.522 100 R HA 0.246 4.363 4.340 -0.371 0.000 0.283 100 R C -1.129 175.262 176.300 0.152 0.000 1.074 100 R CA -0.979 55.350 56.100 0.382 0.000 0.925 100 R CB 1.783 32.295 30.300 0.353 0.000 1.205 100 R HN 0.424 nan 8.270 nan 0.000 0.436 101 N N 3.843 122.284 118.700 -0.432 0.000 2.819 101 N HA -0.023 4.494 4.740 -0.371 0.000 0.284 101 N C -1.062 174.307 175.510 -0.236 0.000 1.196 101 N CA 0.194 52.758 53.050 -0.810 0.000 1.114 101 N CB 0.285 38.131 38.487 -1.068 0.000 1.437 101 N HN 0.589 nan 8.380 nan 0.000 0.518 102 E N 0.095 120.269 120.200 -0.043 0.000 2.356 102 E HA 0.232 4.360 4.350 -0.371 0.000 0.275 102 E C -0.952 175.674 176.600 0.042 0.000 0.904 102 E CA -0.933 55.465 56.400 -0.004 0.000 0.757 102 E CB 1.227 30.927 29.700 0.001 0.000 1.232 102 E HN 0.209 nan 8.360 nan 0.000 0.442 103 E N 2.293 122.497 120.200 0.007 0.000 2.534 103 E HA -0.082 4.045 4.350 -0.371 0.000 0.264 103 E C -0.267 176.356 176.600 0.038 0.000 0.981 103 E CA 0.055 56.467 56.400 0.020 0.000 0.948 103 E CB 0.651 30.344 29.700 -0.011 0.000 0.934 103 E HN 0.473 nan 8.360 nan 0.000 0.459 104 M N 3.391 123.028 119.600 0.063 0.000 2.245 104 M HA 0.239 4.496 4.480 -0.371 0.000 0.344 104 M C 0.035 176.360 176.300 0.041 0.000 1.170 104 M CA 0.638 55.983 55.300 0.075 0.000 1.135 104 M CB 0.375 33.016 32.600 0.068 0.000 1.574 104 M HN 0.579 nan 8.290 nan 0.000 0.452 105 G N 3.004 111.840 108.800 0.060 0.000 2.788 105 G HA2 0.321 4.059 3.960 -0.371 0.000 0.293 105 G HA3 0.321 4.059 3.960 -0.371 0.000 0.293 105 G C -0.129 174.748 174.900 -0.038 0.000 1.392 105 G CA -0.645 44.468 45.100 0.022 0.000 0.810 105 G HN 0.875 nan 8.290 nan 0.000 0.508 106 R N -1.452 118.947 120.500 -0.170 0.000 2.105 106 R HA -0.077 4.040 4.340 -0.371 0.000 0.239 106 R C 0.659 176.634 176.300 -0.540 0.000 1.135 106 R CA 1.748 57.582 56.100 -0.444 0.000 0.967 106 R CB -0.192 29.665 30.300 -0.740 0.000 0.861 106 R HN 0.519 nan 8.270 nan 0.000 0.442 107 Y N -1.641 118.688 120.300 0.047 0.000 2.660 107 Y HA 0.326 4.655 4.550 -0.369 0.000 0.254 107 Y C -0.753 174.975 175.900 -0.286 0.000 1.176 107 Y CA -0.562 57.483 58.100 -0.093 0.000 1.195 107 Y CB 0.471 38.854 38.460 -0.130 0.000 1.190 107 Y HN 0.033 nan 8.280 nan 0.000 0.535 108 H N -0.614 118.459 119.070 0.005 0.000 2.894 108 H HA 0.514 4.848 4.556 -0.369 0.000 0.367 108 H C -1.091 174.237 175.328 0.001 0.000 1.144 108 H CA -1.222 54.805 56.048 -0.035 0.000 1.180 108 H CB 1.734 31.480 29.762 -0.026 0.000 1.758 108 H HN -0.055 nan 8.280 nan 0.000 0.541 109 N N 1.545 120.330 118.700 0.141 0.000 2.264 109 N HA 0.256 4.773 4.740 -0.371 0.000 0.288 109 N C -2.154 173.520 175.510 0.274 0.000 1.094 109 N CA -1.983 51.174 53.050 0.178 0.000 0.817 109 N CB 2.409 40.987 38.487 0.153 0.000 1.604 109 N HN 0.235 nan 8.380 nan 0.000 0.473 110 P HA -0.120 nan 4.420 nan 0.000 0.221 110 P C -0.925 176.639 177.300 0.440 0.000 1.145 110 P CA 1.259 64.618 63.100 0.432 0.000 0.795 110 P CB 0.085 32.087 31.700 0.503 0.000 0.775 111 E N 0.240 120.591 120.200 0.252 0.000 2.234 111 E HA 0.547 4.674 4.350 -0.371 0.000 0.266 111 E C -0.757 175.876 176.600 0.054 0.000 0.877 111 E CA -1.098 55.264 56.400 -0.063 0.000 0.758 111 E CB 1.556 31.127 29.700 -0.215 0.000 1.170 111 E HN 0.049 nan 8.360 nan 0.000 0.415 112 F N -1.160 118.664 119.950 -0.209 0.000 2.685 112 F HA 0.636 4.917 4.527 -0.410 0.000 0.315 112 F C -0.945 174.766 175.800 -0.148 0.000 1.126 112 F CA -1.241 56.685 58.000 -0.124 0.000 0.950 112 F CB 1.359 40.320 39.000 -0.066 0.000 1.360 112 F HN 0.173 nan 8.300 nan 0.000 0.469 113 T N 2.680 117.258 114.554 0.039 0.000 2.767 113 T HA 0.516 4.643 4.350 -0.371 0.000 0.288 113 T C -0.646 174.084 174.700 0.051 0.000 0.963 113 T CA -0.176 61.889 62.100 -0.057 0.000 1.019 113 T CB 0.952 69.823 68.868 0.004 0.000 0.923 113 T HN 0.664 nan 8.240 nan 0.000 0.468 114 M N 3.994 123.559 119.600 -0.059 0.000 2.404 114 M HA 0.541 4.798 4.480 -0.371 0.000 0.338 114 M C -1.332 175.019 176.300 0.084 0.000 1.150 114 M CA -0.944 54.391 55.300 0.058 0.000 1.016 114 M CB 1.197 33.791 32.600 -0.011 0.000 1.672 114 M HN 0.495 nan 8.290 nan 0.000 0.448 115 L N 4.294 125.608 121.223 0.151 0.000 2.294 115 L HA 0.566 4.683 4.340 -0.371 0.000 0.283 115 L C -1.405 175.636 176.870 0.286 0.000 1.015 115 L CA -0.099 54.871 54.840 0.217 0.000 0.831 115 L CB 0.877 43.080 42.059 0.241 0.000 1.217 115 L HN 0.851 nan 8.230 nan 0.000 0.420 116 E N 5.554 125.911 120.200 0.262 0.000 2.256 116 E HA 0.481 4.608 4.350 -0.371 0.000 0.268 116 E C -1.856 174.926 176.600 0.304 0.000 0.877 116 E CA -0.725 55.796 56.400 0.201 0.000 0.757 116 E CB 1.595 31.361 29.700 0.111 0.000 1.183 116 E HN 0.571 nan 8.360 nan 0.000 0.418 117 W N 3.354 124.529 121.300 -0.208 0.000 3.118 117 W HA 0.638 5.112 4.660 -0.311 0.000 0.328 117 W C -2.110 174.128 176.519 -0.469 0.000 1.239 117 W CA -0.859 56.384 57.345 -0.169 0.000 1.176 117 W CB 0.861 30.209 29.460 -0.186 0.000 1.433 117 W HN 0.312 nan 8.180 nan 0.000 0.562 118 Y N 1.732 122.131 120.300 0.164 0.000 2.425 118 Y HA 0.618 4.962 4.550 -0.343 0.000 0.344 118 Y C 0.024 175.950 175.900 0.044 0.000 0.969 118 Y CA -1.365 56.749 58.100 0.024 0.000 1.052 118 Y CB 2.042 40.511 38.460 0.015 0.000 1.215 118 Y HN 0.205 nan 8.280 nan 0.000 0.451 119 R N 3.172 123.693 120.500 0.034 0.000 2.358 119 R HA 0.385 4.502 4.340 -0.371 0.000 0.309 119 R C -3.081 173.185 176.300 -0.056 0.000 1.026 119 R CA -2.430 53.578 56.100 -0.153 0.000 0.909 119 R CB 1.341 31.272 30.300 -0.616 0.000 1.153 119 R HN 0.371 nan 8.270 nan 0.000 0.515 120 P HA 0.054 nan 4.420 nan 0.000 0.268 120 P C -0.480 176.733 177.300 -0.145 0.000 1.205 120 P CA 0.289 63.245 63.100 -0.240 0.000 0.771 120 P CB 0.421 31.881 31.700 -0.400 0.000 0.858 121 H N -1.167 118.053 119.070 0.251 0.000 3.080 121 H HA -0.204 4.132 4.556 -0.368 0.000 0.254 121 H C -0.617 174.909 175.328 0.331 0.000 1.179 121 H CA 0.719 56.920 56.048 0.255 0.000 1.144 121 H CB -2.677 27.209 29.762 0.207 0.000 1.261 121 H HN 0.452 nan 8.280 nan 0.000 0.333 122 Y N 2.218 122.607 120.300 0.149 0.000 2.331 122 Y HA 0.330 4.657 4.550 -0.371 0.000 0.338 122 Y C 0.867 176.787 175.900 0.034 0.000 0.992 122 Y CA -1.242 56.918 58.100 0.099 0.000 1.121 122 Y CB 1.036 39.558 38.460 0.103 0.000 1.184 122 Y HN 0.180 nan 8.280 nan 0.000 0.469 123 D N 1.050 121.475 120.400 0.042 0.000 2.411 123 D HA 0.084 4.501 4.640 -0.371 0.000 0.251 123 D C 1.308 177.550 176.300 -0.097 0.000 1.201 123 D CA -0.536 53.379 54.000 -0.141 0.000 0.996 123 D CB 0.560 41.301 40.800 -0.098 0.000 1.101 123 D HN 0.637 nan 8.370 nan 0.000 0.504 124 M N -1.081 118.374 119.600 -0.242 0.000 2.358 124 M HA -0.134 4.123 4.480 -0.371 0.000 0.264 124 M C 0.841 176.848 176.300 -0.490 0.000 1.064 124 M CA 1.136 56.286 55.300 -0.249 0.000 1.093 124 M CB -0.566 31.919 32.600 -0.192 0.000 1.401 124 M HN 0.437 nan 8.290 nan 0.000 0.440 125 Y N 0.206 120.370 120.300 -0.226 0.000 2.243 125 Y HA 0.095 4.430 4.550 -0.359 0.000 0.293 125 Y C 2.786 178.524 175.900 -0.270 0.000 1.124 125 Y CA 0.866 58.762 58.100 -0.340 0.000 1.159 125 Y CB -0.587 37.681 38.460 -0.320 0.000 1.008 125 Y HN 0.166 nan 8.280 nan 0.000 0.527 126 R N 0.284 120.757 120.500 -0.044 0.000 2.091 126 R HA -0.178 3.939 4.340 -0.371 0.000 0.238 126 R C 2.190 178.545 176.300 0.093 0.000 1.136 126 R CA 1.420 57.470 56.100 -0.083 0.000 0.959 126 R CB -0.837 29.282 30.300 -0.301 0.000 0.856 126 R HN 0.342 nan 8.270 nan 0.000 0.437 127 L N 0.866 122.194 121.223 0.174 0.000 2.046 127 L HA -0.126 3.991 4.340 -0.371 0.000 0.208 127 L C 2.253 179.117 176.870 -0.011 0.000 1.077 127 L CA 1.651 56.620 54.840 0.215 0.000 0.747 127 L CB -0.396 41.755 42.059 0.153 0.000 0.896 127 L HN 0.140 nan 8.230 nan 0.000 0.432 128 M N -0.686 118.687 119.600 -0.378 0.000 2.149 128 M HA -0.253 4.004 4.480 -0.371 0.000 0.261 128 M C 1.926 177.961 176.300 -0.440 0.000 1.064 128 M CA 2.151 57.009 55.300 -0.737 0.000 1.102 128 M CB -0.687 31.109 32.600 -1.339 0.000 1.369 128 M HN 0.431 nan 8.290 nan 0.000 0.408 129 N N -0.094 118.452 118.700 -0.257 0.000 2.149 129 N HA -0.222 4.295 4.740 -0.371 0.000 0.188 129 N C 1.661 177.211 175.510 0.066 0.000 1.019 129 N CA 1.260 54.243 53.050 -0.112 0.000 0.857 129 N CB -0.137 38.310 38.487 -0.066 0.000 0.997 129 N HN 0.420 nan 8.380 nan 0.000 0.426 130 E N 0.805 121.123 120.200 0.196 0.000 2.106 130 E HA -0.114 4.013 4.350 -0.371 0.000 0.192 130 E C 1.788 178.654 176.600 0.444 0.000 0.984 130 E CA 0.693 57.323 56.400 0.385 0.000 0.806 130 E CB 0.203 30.237 29.700 0.556 0.000 0.750 130 E HN 0.084 nan 8.360 nan 0.000 0.458 131 V N 1.543 121.721 119.914 0.441 0.000 2.343 131 V HA -0.238 3.659 4.120 -0.371 0.000 0.247 131 V C 2.178 178.472 176.094 0.333 0.000 1.051 131 V CA 2.061 64.656 62.300 0.491 0.000 1.036 131 V CB -0.614 31.525 31.823 0.527 0.000 0.654 131 V HN 0.390 nan 8.190 nan 0.000 0.451 132 D N 0.363 120.952 120.400 0.315 0.000 2.104 132 D HA -0.208 4.209 4.640 -0.371 0.000 0.194 132 D C 1.811 178.187 176.300 0.125 0.000 0.994 132 D CA 1.577 55.723 54.000 0.242 0.000 0.830 132 D CB -0.230 40.639 40.800 0.115 0.000 0.959 132 D HN 0.397 nan 8.370 nan 0.000 0.452 133 D N -0.343 120.143 120.400 0.142 0.000 2.149 133 D HA -0.144 4.273 4.640 -0.371 0.000 0.198 133 D C 2.076 178.424 176.300 0.080 0.000 0.990 133 D CA 0.442 54.535 54.000 0.156 0.000 0.839 133 D CB -0.392 40.567 40.800 0.264 0.000 0.948 133 D HN 0.245 nan 8.370 nan 0.000 0.460 134 L N 0.497 121.644 121.223 -0.127 0.000 2.056 134 L HA -0.074 4.043 4.340 -0.371 0.000 0.207 134 L C 2.141 178.853 176.870 -0.264 0.000 1.078 134 L CA 1.295 55.780 54.840 -0.592 0.000 0.749 134 L CB -0.466 41.075 42.059 -0.864 0.000 0.901 134 L HN 0.011 nan 8.230 nan 0.000 0.433 135 L N -1.088 120.070 121.223 -0.109 0.000 2.046 135 L HA -0.242 3.875 4.340 -0.371 0.000 0.208 135 L C 2.648 179.467 176.870 -0.084 0.000 1.077 135 L CA 1.437 56.225 54.840 -0.087 0.000 0.747 135 L CB -0.653 41.359 42.059 -0.078 0.000 0.896 135 L HN 0.383 nan 8.230 nan 0.000 0.432 136 Q N -0.405 119.362 119.800 -0.056 0.000 2.061 136 Q HA -0.318 3.799 4.340 -0.371 0.000 0.204 136 Q C 2.229 178.211 176.000 -0.030 0.000 0.984 136 Q CA 2.077 57.857 55.803 -0.039 0.000 0.846 136 Q CB -0.158 28.575 28.738 -0.008 0.000 0.902 136 Q HN 0.489 nan 8.270 nan 0.000 0.421 137 Q N 0.097 119.878 119.800 -0.032 0.000 2.046 137 Q HA -0.140 3.977 4.340 -0.371 0.000 0.200 137 Q C 1.984 177.959 176.000 -0.041 0.000 0.975 137 Q CA 1.485 57.274 55.803 -0.023 0.000 0.836 137 Q CB 0.180 28.921 28.738 0.005 0.000 0.896 137 Q HN 0.202 nan 8.270 nan 0.000 0.428 138 V N 0.489 120.357 119.914 -0.077 0.000 2.453 138 V HA -0.165 3.732 4.120 -0.371 0.000 0.247 138 V C 1.955 178.036 176.094 -0.022 0.000 1.048 138 V CA 1.310 63.575 62.300 -0.059 0.000 1.049 138 V CB -0.232 31.540 31.823 -0.085 0.000 0.672 138 V HN 0.391 nan 8.190 nan 0.000 0.457 139 L N -1.098 120.116 121.223 -0.015 0.000 2.590 139 L HA 0.278 4.395 4.340 -0.371 0.000 0.227 139 L C 0.691 177.577 176.870 0.028 0.000 1.099 139 L CA 0.230 55.085 54.840 0.026 0.000 0.872 139 L CB -0.241 41.855 42.059 0.061 0.000 1.088 139 L HN 0.300 nan 8.230 nan 0.000 0.479 140 D N 0.288 120.690 120.400 0.003 0.000 2.723 140 D HA -0.175 4.242 4.640 -0.371 0.000 0.236 140 D C 0.103 176.411 176.300 0.015 0.000 1.138 140 D CA 0.802 54.807 54.000 0.008 0.000 0.676 140 D CB -0.698 40.112 40.800 0.016 0.000 1.069 140 D HN 0.546 nan 8.370 nan 0.000 0.430 141 C N -2.755 116.537 119.300 -0.013 0.000 2.407 141 C HA 0.907 5.145 4.460 -0.371 0.000 0.366 141 C C -2.042 172.915 174.990 -0.055 0.000 1.213 141 C CA -1.870 57.130 59.018 -0.031 0.000 2.011 141 C CB 1.085 28.724 27.740 -0.168 0.000 2.306 141 C HN 0.062 nan 8.230 nan 0.000 0.527 142 P HA 0.363 nan 4.420 nan 0.000 0.272 142 P C -0.176 177.097 177.300 -0.045 0.000 1.240 142 P CA 0.232 63.315 63.100 -0.028 0.000 0.791 142 P CB 0.230 31.930 31.700 -0.001 0.000 0.978 143 A N 1.373 124.185 122.820 -0.012 0.000 2.466 143 A HA 0.439 4.536 4.320 -0.371 0.000 0.238 143 A C 0.580 178.177 177.584 0.021 0.000 1.074 143 A CA 0.232 52.272 52.037 0.005 0.000 0.774 143 A CB -0.605 18.401 19.000 0.011 0.000 1.015 143 A HN 0.608 nan 8.150 nan 0.000 0.498 144 A N 1.156 124.020 122.820 0.074 0.000 2.313 144 A HA 0.560 4.657 4.320 -0.371 0.000 0.261 144 A C 0.343 178.018 177.584 0.153 0.000 1.090 144 A CA 0.020 52.143 52.037 0.144 0.000 0.807 144 A CB 0.056 19.284 19.000 0.380 0.000 1.055 144 A HN 0.942 nan 8.150 nan 0.000 0.492 145 E N 0.070 120.386 120.200 0.192 0.000 2.202 145 E HA 0.646 4.774 4.350 -0.371 0.000 0.272 145 E C -1.167 175.596 176.600 0.272 0.000 0.951 145 E CA -0.735 55.771 56.400 0.176 0.000 0.813 145 E CB 1.531 31.318 29.700 0.145 0.000 1.151 145 E HN 0.243 nan 8.360 nan 0.000 0.398 146 S N 2.090 117.934 115.700 0.239 0.000 2.519 146 S HA 0.476 4.723 4.470 -0.371 0.000 0.309 146 S C -1.097 173.725 174.600 0.370 0.000 1.100 146 S CA -0.738 57.670 58.200 0.348 0.000 1.059 146 S CB 0.612 63.953 63.200 0.234 0.000 1.008 146 S HN 0.358 nan 8.310 nan 0.000 0.478 147 L N 2.682 124.126 121.223 0.368 0.000 2.386 147 L HA 0.581 4.698 4.340 -0.371 0.000 0.271 147 L C 0.549 177.348 176.870 -0.118 0.000 0.993 147 L CA -0.435 54.507 54.840 0.169 0.000 0.819 147 L CB 1.900 44.037 42.059 0.130 0.000 1.294 147 L HN 0.749 nan 8.230 nan 0.000 0.414 148 S N 1.086 116.549 115.700 -0.396 0.000 2.603 148 S HA 0.157 4.404 4.470 -0.371 0.000 0.268 148 S C 1.095 175.599 174.600 -0.161 0.000 1.317 148 S CA -0.139 57.620 58.200 -0.735 0.000 1.012 148 S CB 0.398 63.343 63.200 -0.425 0.000 0.926 148 S HN 0.576 nan 8.310 nan 0.000 0.539 149 Y N 1.491 121.674 120.300 -0.196 0.000 2.165 149 Y HA -0.224 4.102 4.550 -0.373 0.000 0.286 149 Y C 2.819 178.788 175.900 0.114 0.000 1.155 149 Y CA 2.414 60.481 58.100 -0.055 0.000 1.164 149 Y CB -0.473 37.881 38.460 -0.176 0.000 0.978 149 Y HN 0.959 nan 8.280 nan 0.000 0.513 150 Q N 0.045 119.973 119.800 0.214 0.000 2.002 150 Q HA -0.332 3.785 4.340 -0.371 0.000 0.204 150 Q C 2.455 178.502 176.000 0.079 0.000 0.988 150 Q CA 2.240 58.127 55.803 0.139 0.000 0.843 150 Q CB -0.533 28.261 28.738 0.093 0.000 0.908 150 Q HN 0.677 nan 8.270 nan 0.000 0.420 151 Q N -0.432 119.382 119.800 0.024 0.000 2.135 151 Q HA -0.205 3.912 4.340 -0.371 0.000 0.204 151 Q C 1.918 177.882 176.000 -0.060 0.000 0.981 151 Q CA 1.527 57.319 55.803 -0.019 0.000 0.856 151 Q CB -0.275 28.448 28.738 -0.024 0.000 0.902 151 Q HN 0.549 nan 8.270 nan 0.000 0.425 152 A N -0.340 122.455 122.820 -0.042 0.000 1.969 152 A HA -0.122 3.975 4.320 -0.371 0.000 0.218 152 A C 1.630 179.133 177.584 -0.135 0.000 1.169 152 A CA 0.955 52.951 52.037 -0.068 0.000 0.635 152 A CB -0.602 18.329 19.000 -0.115 0.000 0.810 152 A HN 0.473 nan 8.150 nan 0.000 0.445 153 F N -0.427 119.421 119.950 -0.171 0.000 2.179 153 F HA 0.088 4.389 4.527 -0.376 0.000 0.292 153 F C 2.002 177.737 175.800 -0.108 0.000 1.089 153 F CA 0.943 58.852 58.000 -0.152 0.000 1.295 153 F CB -0.240 38.647 39.000 -0.190 0.000 1.041 153 F HN 0.052 nan 8.300 nan 0.000 0.487 154 L N 0.150 121.424 121.223 0.084 0.000 2.261 154 L HA -0.219 3.898 4.340 -0.371 0.000 0.216 154 L C 2.290 179.117 176.870 -0.072 0.000 1.114 154 L CA 1.585 56.430 54.840 0.009 0.000 0.777 154 L CB -0.393 41.662 42.059 -0.006 0.000 0.910 154 L HN 0.206 nan 8.230 nan 0.000 0.440 155 R N -2.574 117.818 120.500 -0.180 0.000 2.250 155 R HA -0.018 4.099 4.340 -0.371 0.000 0.194 155 R C 1.529 177.608 176.300 -0.368 0.000 0.927 155 R CA 0.485 56.394 56.100 -0.319 0.000 1.052 155 R CB -0.352 29.657 30.300 -0.484 0.000 1.055 155 R HN 0.071 nan 8.270 nan 0.000 0.537 156 Y N 0.037 120.253 120.300 -0.139 0.000 2.478 156 Y HA 0.410 4.737 4.550 -0.372 0.000 0.261 156 Y C 1.127 176.939 175.900 -0.147 0.000 1.127 156 Y CA 0.081 58.077 58.100 -0.173 0.000 1.288 156 Y CB 0.765 39.057 38.460 -0.280 0.000 1.084 156 Y HN -0.023 nan 8.280 nan 0.000 0.530 157 L N -0.893 120.340 121.223 0.015 0.000 3.515 157 L HA 0.181 4.298 4.340 -0.371 0.000 0.322 157 L C -0.345 176.559 176.870 0.057 0.000 1.225 157 L CA -0.018 54.848 54.840 0.042 0.000 1.104 157 L CB 0.454 42.561 42.059 0.081 0.000 1.506 157 L HN -0.052 nan 8.230 nan 0.000 0.624 158 E N 1.881 122.096 120.200 0.025 0.000 2.332 158 E HA -0.189 3.938 4.350 -0.371 0.000 0.162 158 E C -0.430 176.196 176.600 0.044 0.000 1.637 158 E CA 0.632 57.042 56.400 0.017 0.000 0.654 158 E CB -0.848 28.854 29.700 0.003 0.000 1.072 158 E HN 0.382 nan 8.360 nan 0.000 0.336 159 I N 0.853 121.463 120.570 0.067 0.000 2.771 159 I HA 0.107 4.055 4.170 -0.371 0.000 0.291 159 I C -1.718 174.423 176.117 0.041 0.000 1.527 159 I CA -0.751 60.583 61.300 0.057 0.000 1.024 159 I CB 1.791 39.840 38.000 0.081 0.000 1.388 159 I HN 0.026 nan 8.210 nan 0.000 0.447 160 D N 8.250 128.649 120.400 -0.002 0.000 2.396 160 D HA 0.391 4.808 4.640 -0.371 0.000 0.225 160 D C -2.000 174.255 176.300 -0.076 0.000 1.121 160 D CA -2.271 51.717 54.000 -0.020 0.000 0.853 160 D CB 1.930 42.724 40.800 -0.010 0.000 1.043 160 D HN 0.199 nan 8.370 nan 0.000 0.500 161 P HA -0.093 nan 4.420 nan 0.000 0.218 161 P C 1.120 178.374 177.300 -0.078 0.000 1.149 161 P CA 0.543 63.505 63.100 -0.231 0.000 0.817 161 P CB 0.339 31.840 31.700 -0.333 0.000 0.785 162 L N -1.952 119.252 121.223 -0.032 0.000 2.552 162 L HA 0.069 4.187 4.340 -0.371 0.000 0.227 162 L C 0.432 177.287 176.870 -0.025 0.000 1.146 162 L CA 1.292 56.118 54.840 -0.023 0.000 0.858 162 L CB -0.839 41.205 42.059 -0.025 0.000 0.969 162 L HN -0.220 nan 8.230 nan 0.000 0.451 163 S N -0.329 115.355 115.700 -0.027 0.000 2.488 163 S HA 0.803 5.050 4.470 -0.371 0.000 0.151 163 S C -0.307 174.281 174.600 -0.020 0.000 1.401 163 S CA -0.079 58.111 58.200 -0.017 0.000 1.221 163 S CB 1.142 64.335 63.200 -0.011 0.000 1.407 163 S HN 0.245 nan 8.310 nan 0.000 0.406 190 T N 1.640 116.264 114.554 0.116 0.000 2.995 190 T HA 0.099 4.227 4.350 -0.371 0.000 0.269 190 T C 2.135 176.919 174.700 0.141 0.000 1.091 190 T CA 0.637 62.818 62.100 0.134 0.000 1.128 190 T CB 0.114 69.051 68.868 0.116 0.000 0.891 190 T HN 0.171 nan 8.240 nan 0.000 0.492 191 L N 0.168 121.464 121.223 0.122 0.000 1.988 191 L HA -0.052 4.065 4.340 -0.371 0.000 0.207 191 L C 2.310 179.288 176.870 0.181 0.000 1.071 191 L CA 0.852 55.767 54.840 0.125 0.000 0.744 191 L CB -0.701 41.410 42.059 0.086 0.000 0.893 191 L HN 0.197 nan 8.230 nan 0.000 0.433 192 L N -0.121 121.210 121.223 0.181 0.000 2.021 192 L HA -0.299 3.818 4.340 -0.371 0.000 0.215 192 L C 2.681 179.802 176.870 0.419 0.000 1.074 192 L CA 1.842 56.843 54.840 0.268 0.000 0.760 192 L CB -0.928 41.271 42.059 0.233 0.000 0.889 192 L HN 0.298 nan 8.230 nan 0.000 0.433 193 Q N -1.239 118.757 119.800 0.325 0.000 2.226 193 Q HA -0.181 3.936 4.340 -0.371 0.000 0.204 193 Q C 2.357 178.559 176.000 0.336 0.000 0.975 193 Q CA 1.139 57.128 55.803 0.310 0.000 0.866 193 Q CB -0.192 28.655 28.738 0.181 0.000 0.915 193 Q HN 0.517 nan 8.270 nan 0.000 0.440 194 L N -0.015 121.397 121.223 0.314 0.000 2.179 194 L HA -0.113 4.004 4.340 -0.371 0.000 0.208 194 L C 1.677 178.809 176.870 0.436 0.000 1.096 194 L CA 0.408 55.468 54.840 0.366 0.000 0.779 194 L CB 0.111 42.308 42.059 0.231 0.000 0.922 194 L HN 0.233 nan 8.230 nan 0.000 0.443 195 L N -0.913 120.532 121.223 0.370 0.000 2.044 195 L HA -0.185 3.932 4.340 -0.371 0.000 0.205 195 L C 2.428 179.466 176.870 0.279 0.000 1.075 195 L CA 1.700 56.749 54.840 0.349 0.000 0.747 195 L CB -1.571 40.754 42.059 0.443 0.000 0.903 195 L HN 0.279 nan 8.230 nan 0.000 0.435 196 F N 1.366 121.447 119.950 0.219 0.000 2.069 196 F HA -0.277 4.032 4.527 -0.362 0.000 0.298 196 F C 2.541 178.285 175.800 -0.094 0.000 1.113 196 F CA 2.146 60.128 58.000 -0.029 0.000 1.214 196 F CB -0.445 38.656 39.000 0.168 0.000 0.978 196 F HN 0.047 nan 8.300 nan 0.000 0.474 197 T N 0.243 114.997 114.554 0.333 0.000 2.720 197 T HA -0.221 3.906 4.350 -0.371 0.000 0.268 197 T C 1.626 176.157 174.700 -0.283 0.000 1.037 197 T CA 2.096 64.213 62.100 0.029 0.000 1.144 197 T CB -0.539 68.298 68.868 -0.052 0.000 0.864 197 T HN 0.236 nan 8.240 nan 0.000 0.444 198 F N -0.031 119.906 119.950 -0.022 0.000 2.582 198 F HA 0.374 4.680 4.527 -0.367 0.000 0.290 198 F C 2.439 178.154 175.800 -0.142 0.000 1.115 198 F CA 0.084 58.044 58.000 -0.065 0.000 1.445 198 F CB -0.154 38.836 39.000 -0.018 0.000 1.126 198 F HN 0.187 nan 8.300 nan 0.000 0.574 199 G N -0.924 107.862 108.800 -0.025 0.000 2.921 199 G HA2 0.201 3.939 3.960 -0.371 0.000 0.213 199 G HA3 0.201 3.939 3.960 -0.371 0.000 0.213 199 G C 1.131 175.777 174.900 -0.424 0.000 1.143 199 G CA 0.644 45.642 45.100 -0.168 0.000 0.764 199 G HN 0.180 nan 8.290 nan 0.000 0.542 200 V N -0.392 119.132 119.914 -0.650 0.000 3.054 200 V HA 0.097 3.994 4.120 -0.371 0.000 0.227 200 V C 2.197 177.733 176.094 -0.930 0.000 1.252 200 V CA 0.631 62.354 62.300 -0.962 0.000 1.279 200 V CB -0.197 30.729 31.823 -1.495 0.000 1.118 200 V HN 0.201 nan 8.190 nan 0.000 0.504 201 E N 0.819 120.465 120.200 -0.923 0.000 2.086 201 E HA -0.251 3.876 4.350 -0.371 0.000 0.200 201 E C -0.501 175.815 176.600 -0.473 0.000 1.012 201 E CA 2.231 58.220 56.400 -0.686 0.000 0.812 201 E CB -1.126 28.324 29.700 -0.416 0.000 0.743 201 E HN 0.509 nan 8.360 nan 0.000 0.453 202 P HA -0.167 nan 4.420 nan 0.000 0.219 202 P C 0.294 177.408 177.300 -0.310 0.000 1.146 202 P CA 1.421 64.349 63.100 -0.287 0.000 0.808 202 P CB -0.192 31.377 31.700 -0.219 0.000 0.779 203 N N -1.247 117.177 118.700 -0.461 0.000 2.282 203 N HA 0.138 4.655 4.740 -0.371 0.000 0.240 203 N C 0.250 175.439 175.510 -0.535 0.000 1.182 203 N CA -0.291 52.472 53.050 -0.477 0.000 0.874 203 N CB 0.022 38.184 38.487 -0.541 0.000 1.126 203 N HN 0.188 nan 8.380 nan 0.000 0.516 204 I N -4.894 115.408 120.570 -0.448 0.000 2.910 204 I HA 0.708 4.655 4.170 -0.371 0.000 0.310 204 I C 0.830 176.885 176.117 -0.104 0.000 1.043 204 I CA -0.850 60.278 61.300 -0.287 0.000 1.053 204 I CB 1.726 39.532 38.000 -0.323 0.000 1.242 204 I HN -0.031 nan 8.210 nan 0.000 0.452 205 G N 2.739 111.555 108.800 0.028 0.000 2.283 205 G HA2 -0.290 3.447 3.960 -0.371 0.000 0.280 205 G HA3 -0.290 3.447 3.960 -0.371 0.000 0.280 205 G C 0.427 175.412 174.900 0.142 0.000 1.029 205 G CA 0.868 46.064 45.100 0.159 0.000 0.840 205 G HN 0.804 nan 8.290 nan 0.000 0.505 206 K N -0.227 120.208 120.400 0.059 0.000 2.021 206 K HA 0.179 4.276 4.320 -0.371 0.000 0.205 206 K C 2.094 178.742 176.600 0.079 0.000 1.047 206 K CA 1.527 57.822 56.287 0.014 0.000 0.943 206 K CB -0.113 32.378 32.500 -0.016 0.000 0.725 206 K HN 0.294 nan 8.250 nan 0.000 0.439 207 E N 0.207 120.485 120.200 0.130 0.000 2.431 207 E HA 0.086 4.213 4.350 -0.371 0.000 0.200 207 E C -0.759 175.981 176.600 0.234 0.000 0.995 207 E CA 0.254 56.745 56.400 0.151 0.000 0.915 207 E CB 0.417 30.170 29.700 0.088 0.000 0.930 207 E HN 0.304 nan 8.360 nan 0.000 0.496 208 K N -2.012 118.542 120.400 0.257 0.000 2.579 208 K HA 0.491 4.588 4.320 -0.371 0.000 0.284 208 K C -3.060 173.555 176.600 0.025 0.000 0.990 208 K CA -2.158 54.171 56.287 0.070 0.000 0.880 208 K CB 1.443 33.956 32.500 0.022 0.000 1.488 208 K HN -0.344 nan 8.250 nan 0.000 0.425 209 P HA 0.082 nan 4.420 nan 0.000 0.269 209 P C -0.965 176.363 177.300 0.047 0.000 1.215 209 P CA -0.092 62.917 63.100 -0.152 0.000 0.780 209 P CB 0.603 32.100 31.700 -0.338 0.000 0.898 210 T N 3.019 117.630 114.554 0.095 0.000 2.809 210 T HA 0.457 4.585 4.350 -0.371 0.000 0.284 210 T C -0.545 174.276 174.700 0.201 0.000 0.992 210 T CA -0.169 62.041 62.100 0.182 0.000 0.957 210 T CB -0.030 68.940 68.868 0.170 0.000 0.942 210 T HN 0.063 nan 8.240 nan 0.000 0.439 211 F N 2.242 122.342 119.950 0.249 0.000 2.404 211 F HA 0.514 4.812 4.527 -0.382 0.000 0.345 211 F C 0.266 176.313 175.800 0.412 0.000 1.110 211 F CA -0.686 57.511 58.000 0.328 0.000 1.130 211 F CB 1.181 40.303 39.000 0.204 0.000 1.129 211 F HN 0.174 nan 8.300 nan 0.000 0.500 212 V N 5.240 125.564 119.914 0.683 0.000 2.378 212 V HA 0.338 4.236 4.120 -0.371 0.000 0.288 212 V C -0.719 175.793 176.094 0.697 0.000 1.016 212 V CA -0.827 61.803 62.300 0.550 0.000 0.840 212 V CB 0.689 32.826 31.823 0.525 0.000 0.994 212 V HN 0.631 nan 8.190 nan 0.000 0.431 213 Y N 1.883 122.456 120.300 0.456 0.000 2.659 213 Y HA 0.762 5.084 4.550 -0.380 0.000 0.333 213 Y C 0.226 176.373 175.900 0.411 0.000 1.064 213 Y CA -1.587 56.785 58.100 0.453 0.000 1.141 213 Y CB 0.754 39.342 38.460 0.213 0.000 1.316 213 Y HN 0.569 nan 8.280 nan 0.000 0.509 214 H N -0.234 119.153 119.070 0.527 0.000 2.827 214 H HA -0.164 4.170 4.556 -0.371 0.000 0.330 214 H C -1.137 174.294 175.328 0.171 0.000 1.236 214 H CA -0.013 56.225 56.048 0.317 0.000 1.165 214 H CB -1.770 28.125 29.762 0.222 0.000 1.532 214 H HN 0.636 nan 8.280 nan 0.000 0.434 215 F N 0.686 120.691 119.950 0.091 0.000 2.480 215 F HA 0.216 4.544 4.527 -0.332 0.000 0.319 215 F C -1.124 174.511 175.800 -0.275 0.000 1.230 215 F CA -1.705 56.103 58.000 -0.320 0.000 1.285 215 F CB -0.081 38.752 39.000 -0.279 0.000 1.208 215 F HN 0.042 nan 8.300 nan 0.000 0.579 216 P HA -0.000 nan 4.420 nan 0.000 0.266 216 P C -0.227 177.054 177.300 -0.030 0.000 1.195 216 P CA 0.482 63.512 63.100 -0.118 0.000 0.768 216 P CB 0.569 32.192 31.700 -0.130 0.000 0.838 217 A N 2.939 125.753 122.820 -0.012 0.000 2.032 217 A HA -0.217 3.880 4.320 -0.371 0.000 0.221 217 A C 2.342 179.917 177.584 -0.014 0.000 1.165 217 A CA 2.266 54.302 52.037 -0.001 0.000 0.645 217 A CB -1.491 17.524 19.000 0.026 0.000 0.807 217 A HN 0.544 nan 8.150 nan 0.000 0.453 218 S N -0.751 114.945 115.700 -0.008 0.000 2.442 218 S HA -0.143 4.104 4.470 -0.371 0.000 0.236 218 S C 1.382 175.978 174.600 -0.006 0.000 1.007 218 S CA 1.410 59.608 58.200 -0.002 0.000 0.965 218 S CB -0.265 62.942 63.200 0.012 0.000 0.773 218 S HN 0.723 nan 8.310 nan 0.000 0.504 219 Q N -0.127 119.663 119.800 -0.017 0.000 2.211 219 Q HA 0.468 4.585 4.340 -0.371 0.000 0.301 219 Q C 1.274 177.210 176.000 -0.107 0.000 0.884 219 Q CA 0.139 55.926 55.803 -0.028 0.000 1.115 219 Q CB 0.652 29.395 28.738 0.008 0.000 1.217 219 Q HN 0.503 nan 8.270 nan 0.000 0.451 220 A N 0.446 123.192 122.820 -0.123 0.000 2.067 220 A HA -0.117 3.980 4.320 -0.371 0.000 0.219 220 A C 1.402 178.733 177.584 -0.421 0.000 1.158 220 A CA 1.206 53.111 52.037 -0.221 0.000 0.661 220 A CB -0.108 18.794 19.000 -0.162 0.000 0.801 220 A HN 0.443 nan 8.150 nan 0.000 0.452 221 S N -2.011 113.518 115.700 -0.286 0.000 4.139 221 S HA -0.236 4.011 4.470 -0.371 0.000 0.603 221 S C 0.558 174.960 174.600 -0.329 0.000 1.897 221 S CA 1.459 59.494 58.200 -0.275 0.000 4.241 221 S CB -1.506 61.476 63.200 -0.364 0.000 0.221 221 S HN 0.711 nan 8.310 nan 0.000 0.488 222 L N 1.561 122.462 121.223 -0.537 0.000 2.872 222 L HA 0.533 4.650 4.340 -0.371 0.000 0.245 222 L C 0.780 177.395 176.870 -0.425 0.000 1.211 222 L CA 0.640 55.313 54.840 -0.278 0.000 1.013 222 L CB -0.752 41.391 42.059 0.140 0.000 1.326 222 L HN 0.611 nan 8.230 nan 0.000 0.525 223 A N 0.097 122.453 122.820 -0.773 0.000 2.293 223 A HA 0.471 4.568 4.320 -0.371 0.000 0.302 223 A C 0.286 177.744 177.584 -0.211 0.000 1.119 223 A CA -0.330 51.436 52.037 -0.452 0.000 0.823 223 A CB 0.641 19.326 19.000 -0.525 0.000 1.097 223 A HN 0.336 nan 8.150 nan 0.000 0.491 224 Q N 0.254 119.995 119.800 -0.098 0.000 2.392 224 Q HA 0.286 4.403 4.340 -0.371 0.000 0.262 224 Q C -0.702 175.296 176.000 -0.002 0.000 1.003 224 Q CA 0.328 56.093 55.803 -0.063 0.000 0.888 224 Q CB 0.836 29.543 28.738 -0.052 0.000 1.260 224 Q HN 0.646 nan 8.270 nan 0.000 0.435 225 I N 1.075 121.644 120.570 -0.002 0.000 2.428 225 I HA 0.021 3.969 4.170 -0.371 0.000 0.289 225 I C 0.589 176.748 176.117 0.070 0.000 1.019 225 I CA -0.073 61.244 61.300 0.028 0.000 1.351 225 I CB 1.441 39.449 38.000 0.014 0.000 1.412 225 I HN 0.532 nan 8.210 nan 0.000 0.513 226 S N 3.262 119.012 115.700 0.083 0.000 2.549 226 S HA 0.001 4.248 4.470 -0.371 0.000 0.286 226 S C 1.299 175.948 174.600 0.081 0.000 1.314 226 S CA -0.058 58.200 58.200 0.097 0.000 1.062 226 S CB 0.546 63.764 63.200 0.030 0.000 0.865 226 S HN 0.783 nan 8.310 nan 0.000 0.498 227 T N 1.905 116.517 114.554 0.096 0.000 3.081 227 T HA 0.171 4.298 4.350 -0.371 0.000 0.255 227 T C 1.076 175.820 174.700 0.074 0.000 1.113 227 T CA 0.381 62.532 62.100 0.084 0.000 1.082 227 T CB -0.169 68.748 68.868 0.082 0.000 0.939 227 T HN 0.623 nan 8.240 nan 0.000 0.506 228 E N 1.468 121.709 120.200 0.067 0.000 2.230 228 E HA 0.137 4.264 4.350 -0.371 0.000 0.192 228 E C 0.331 176.937 176.600 0.010 0.000 0.987 228 E CA 0.606 57.035 56.400 0.049 0.000 0.841 228 E CB 0.224 29.963 29.700 0.064 0.000 0.783 228 E HN 0.460 nan 8.360 nan 0.000 0.481 229 D N -0.907 119.474 120.400 -0.031 0.000 2.323 229 D HA 0.020 4.437 4.640 -0.371 0.000 0.242 229 D C 0.070 176.279 176.300 -0.153 0.000 1.347 229 D CA -0.403 53.520 54.000 -0.128 0.000 0.988 229 D CB 0.022 40.721 40.800 -0.168 0.000 1.314 229 D HN 0.113 nan 8.370 nan 0.000 0.564 230 H N 2.216 121.275 119.070 -0.017 0.000 2.541 230 H HA 0.020 4.353 4.556 -0.372 0.000 0.289 230 H C 1.006 176.322 175.328 -0.021 0.000 1.054 230 H CA 1.246 57.286 56.048 -0.015 0.000 1.250 230 H CB -0.008 29.748 29.762 -0.010 0.000 1.369 230 H HN 0.186 nan 8.280 nan 0.000 0.578 231 R N 0.739 120.993 120.500 -0.411 0.000 2.299 231 R HA 0.136 4.253 4.340 -0.371 0.000 0.197 231 R C 0.021 176.267 176.300 -0.090 0.000 0.971 231 R CA 0.652 56.635 56.100 -0.196 0.000 1.030 231 R CB 0.463 30.605 30.300 -0.263 0.000 0.932 231 R HN 0.388 nan 8.270 nan 0.000 0.477 232 V N -3.786 116.071 119.914 -0.096 0.000 3.040 232 V HA 0.878 4.776 4.120 -0.371 0.000 0.312 232 V C -0.747 175.357 176.094 0.017 0.000 1.115 232 V CA -1.411 60.860 62.300 -0.049 0.000 0.998 232 V CB 1.934 33.673 31.823 -0.140 0.000 1.042 232 V HN -0.036 nan 8.190 nan 0.000 0.433 233 A N 1.497 124.378 122.820 0.101 0.000 2.337 233 A HA 0.741 4.838 4.320 -0.371 0.000 0.331 233 A C -0.015 177.737 177.584 0.280 0.000 1.137 233 A CA -0.776 51.333 52.037 0.119 0.000 0.807 233 A CB 0.995 20.008 19.000 0.022 0.000 1.250 233 A HN 0.951 nan 8.150 nan 0.000 0.468 234 E N 1.112 121.466 120.200 0.256 0.000 2.148 234 E HA 0.163 4.290 4.350 -0.371 0.000 0.308 234 E C -0.031 176.751 176.600 0.304 0.000 1.278 234 E CA 0.063 56.663 56.400 0.334 0.000 1.368 234 E CB 0.013 29.908 29.700 0.325 0.000 1.229 234 E HN 0.441 nan 8.360 nan 0.000 0.494 235 R N 2.448 123.156 120.500 0.346 0.000 2.744 235 R HA 0.521 4.638 4.340 -0.371 0.000 0.279 235 R C -1.419 175.178 176.300 0.496 0.000 0.977 235 R CA -0.657 55.641 56.100 0.330 0.000 0.906 235 R CB 1.074 31.431 30.300 0.095 0.000 1.197 235 R HN 0.184 nan 8.270 nan 0.000 0.463 236 F N -0.419 119.718 119.950 0.312 0.000 2.626 236 F HA 0.617 4.989 4.527 -0.258 0.000 0.311 236 F C -1.315 174.658 175.800 0.287 0.000 1.088 236 F CA -0.914 57.348 58.000 0.437 0.000 0.949 236 F CB 1.698 40.944 39.000 0.410 0.000 1.322 236 F HN 0.449 nan 8.300 nan 0.000 0.461 237 E N 0.966 121.561 120.200 0.659 0.000 2.369 237 E HA 0.660 4.787 4.350 -0.371 0.000 0.270 237 E C -1.792 175.024 176.600 0.360 0.000 0.909 237 E CA -1.440 55.148 56.400 0.314 0.000 0.775 237 E CB 3.298 33.183 29.700 0.309 0.000 1.270 237 E HN 0.614 nan 8.360 nan 0.000 0.445 238 V N 2.447 122.318 119.914 -0.071 0.000 2.588 238 V HA 0.514 4.411 4.120 -0.371 0.000 0.304 238 V C -1.957 173.940 176.094 -0.328 0.000 1.042 238 V CA -0.386 61.729 62.300 -0.308 0.000 0.877 238 V CB 0.936 32.206 31.823 -0.922 0.000 0.996 238 V HN 0.577 nan 8.190 nan 0.000 0.425 239 Y N 5.864 126.120 120.300 -0.074 0.000 2.485 239 Y HA 0.775 5.125 4.550 -0.333 0.000 0.345 239 Y C -0.860 175.081 175.900 0.068 0.000 0.998 239 Y CA -0.753 57.345 58.100 -0.003 0.000 1.059 239 Y CB 2.179 40.657 38.460 0.029 0.000 1.234 239 Y HN 0.703 nan 8.280 nan 0.000 0.461 240 Y N 2.433 122.748 120.300 0.024 0.000 2.436 240 Y HA 0.324 4.648 4.550 -0.377 0.000 0.327 240 Y C -0.544 175.329 175.900 -0.044 0.000 1.138 240 Y CA -2.124 55.964 58.100 -0.019 0.000 1.042 240 Y CB 1.268 39.699 38.460 -0.049 0.000 1.302 240 Y HN 0.613 nan 8.280 nan 0.000 0.439 241 K N 3.820 123.943 120.400 -0.463 0.000 3.016 241 K HA -0.202 3.895 4.320 -0.371 0.000 0.262 241 K C 0.876 177.325 176.600 -0.252 0.000 1.043 241 K CA 1.350 57.362 56.287 -0.460 0.000 0.761 241 K CB -1.818 30.300 32.500 -0.637 0.000 1.230 241 K HN 1.728 nan 8.250 nan 0.000 0.485 242 G N -0.816 107.893 108.800 -0.152 0.000 2.179 242 G HA2 -0.283 3.454 3.960 -0.371 0.000 0.260 242 G HA3 -0.283 3.454 3.960 -0.371 0.000 0.260 242 G C 0.071 174.874 174.900 -0.161 0.000 0.977 242 G CA 0.257 45.277 45.100 -0.134 0.000 0.641 242 G HN 0.267 nan 8.290 nan 0.000 0.533 243 I N 0.934 121.405 120.570 -0.165 0.000 2.377 243 I HA 0.365 4.312 4.170 -0.371 0.000 0.293 243 I C 0.466 176.499 176.117 -0.140 0.000 0.987 243 I CA -1.234 59.914 61.300 -0.254 0.000 1.185 243 I CB 1.627 39.432 38.000 -0.324 0.000 1.341 243 I HN 0.245 nan 8.210 nan 0.000 0.455 244 E N 5.816 125.886 120.200 -0.215 0.000 2.129 244 E HA 0.200 4.327 4.350 -0.371 0.000 0.283 244 E C 0.062 176.437 176.600 -0.375 0.000 1.080 244 E CA -0.184 55.917 56.400 -0.499 0.000 0.867 244 E CB 0.831 30.287 29.700 -0.407 0.000 1.056 244 E HN 0.575 nan 8.360 nan 0.000 0.404 245 L N 3.262 124.270 121.223 -0.358 0.000 2.253 245 L HA 0.322 4.439 4.340 -0.371 0.000 0.205 245 L C 0.782 177.541 176.870 -0.185 0.000 1.078 245 L CA 0.367 55.078 54.840 -0.215 0.000 0.805 245 L CB 0.213 42.190 42.059 -0.136 0.000 0.963 245 L HN 0.497 nan 8.230 nan 0.000 0.459 246 A N -0.531 122.150 122.820 -0.232 0.000 2.602 246 A HA 0.670 4.767 4.320 -0.371 0.000 0.290 246 A C -1.634 175.799 177.584 -0.251 0.000 1.114 246 A CA -0.443 51.485 52.037 -0.182 0.000 0.683 246 A CB 1.611 20.567 19.000 -0.073 0.000 1.281 246 A HN 0.049 nan 8.150 nan 0.000 0.416 247 N N -0.855 117.634 118.700 -0.352 0.000 2.503 247 N HA 0.595 5.113 4.740 -0.371 0.000 0.287 247 N C -0.661 174.316 175.510 -0.889 0.000 1.096 247 N CA 0.563 53.301 53.050 -0.520 0.000 0.936 247 N CB 1.928 40.194 38.487 -0.368 0.000 1.570 247 N HN 1.265 nan 8.380 nan 0.000 0.504 248 G N 1.295 109.237 108.800 -1.430 0.000 2.642 248 G HA2 0.795 4.532 3.960 -0.371 0.000 0.293 248 G HA3 0.795 4.532 3.960 -0.371 0.000 0.293 248 G C -1.520 172.792 174.900 -0.980 0.000 1.341 248 G CA -0.645 43.533 45.100 -1.538 0.000 0.916 248 G HN 0.368 nan 8.290 nan 0.000 0.474 249 F N -1.178 118.563 119.950 -0.347 0.000 2.643 249 F HA 0.437 4.846 4.527 -0.197 0.000 0.314 249 F C -0.055 175.801 175.800 0.094 0.000 1.096 249 F CA -1.346 56.606 58.000 -0.080 0.000 0.953 249 F CB 2.325 41.289 39.000 -0.059 0.000 1.345 249 F HN 0.523 nan 8.300 nan 0.000 0.468 250 H N 2.028 121.250 119.070 0.254 0.000 2.652 250 H HA 0.159 4.489 4.556 -0.377 0.000 0.298 250 H C -0.670 174.769 175.328 0.185 0.000 1.076 250 H CA -0.849 55.303 56.048 0.173 0.000 1.360 250 H CB 0.843 30.683 29.762 0.130 0.000 1.421 250 H HN 0.526 nan 8.280 nan 0.000 0.464 251 E N 4.324 124.567 120.200 0.072 0.000 2.376 251 E HA -0.051 4.076 4.350 -0.371 0.000 0.266 251 E C -0.057 176.462 176.600 -0.137 0.000 1.009 251 E CA -0.446 55.975 56.400 0.035 0.000 0.902 251 E CB 1.201 30.976 29.700 0.125 0.000 0.972 251 E HN 0.434 nan 8.360 nan 0.000 0.439 252 L N 3.444 124.611 121.223 -0.094 0.000 2.410 252 L HA 0.049 4.166 4.340 -0.371 0.000 0.273 252 L C 1.022 177.821 176.870 -0.119 0.000 1.144 252 L CA 0.648 55.406 54.840 -0.136 0.000 0.863 252 L CB 0.554 42.519 42.059 -0.157 0.000 1.140 252 L HN 0.569 nan 8.230 nan 0.000 0.463 253 T N -0.724 113.760 114.554 -0.115 0.000 3.010 253 T HA 0.181 4.308 4.350 -0.371 0.000 0.257 253 T C 0.369 175.015 174.700 -0.090 0.000 1.020 253 T CA 0.004 62.050 62.100 -0.091 0.000 0.938 253 T CB -0.374 68.455 68.868 -0.064 0.000 1.049 253 T HN 0.599 nan 8.240 nan 0.000 0.522 254 D N 1.484 121.824 120.400 -0.100 0.000 2.338 254 D HA 0.571 4.988 4.640 -0.371 0.000 0.255 254 D C 1.439 177.666 176.300 -0.121 0.000 1.237 254 D CA 0.164 54.108 54.000 -0.093 0.000 0.883 254 D CB 0.981 41.729 40.800 -0.086 0.000 1.087 254 D HN 0.206 nan 8.370 nan 0.000 0.485 255 A N 4.917 127.674 122.820 -0.105 0.000 1.908 255 A HA -0.234 3.863 4.320 -0.371 0.000 0.218 255 A C 2.112 179.619 177.584 -0.128 0.000 1.181 255 A CA 1.292 53.258 52.037 -0.118 0.000 0.627 255 A CB -0.253 18.698 19.000 -0.082 0.000 0.818 255 A HN 0.691 nan 8.150 nan 0.000 0.445 256 R N -0.883 119.558 120.500 -0.100 0.000 2.075 256 R HA -0.126 3.991 4.340 -0.371 0.000 0.232 256 R C 2.338 178.565 176.300 -0.121 0.000 1.126 256 R CA 1.456 57.500 56.100 -0.093 0.000 0.963 256 R CB -0.296 29.964 30.300 -0.066 0.000 0.858 256 R HN 0.799 nan 8.270 nan 0.000 0.435 257 E N 0.614 120.736 120.200 -0.131 0.000 2.106 257 E HA -0.257 3.870 4.350 -0.371 0.000 0.192 257 E C 2.030 178.492 176.600 -0.230 0.000 0.984 257 E CA 1.080 57.392 56.400 -0.148 0.000 0.806 257 E CB 0.178 29.802 29.700 -0.127 0.000 0.750 257 E HN 0.095 nan 8.360 nan 0.000 0.458 258 Q N 0.913 120.533 119.800 -0.299 0.000 2.084 258 Q HA -0.228 3.889 4.340 -0.371 0.000 0.202 258 Q C 1.981 177.566 176.000 -0.692 0.000 0.978 258 Q CA 2.146 57.630 55.803 -0.532 0.000 0.844 258 Q CB -0.241 28.183 28.738 -0.525 0.000 0.898 258 Q HN 0.309 nan 8.270 nan 0.000 0.426 259 Q N -0.344 119.222 119.800 -0.390 0.000 2.084 259 Q HA -0.206 3.911 4.340 -0.371 0.000 0.202 259 Q C 2.080 177.995 176.000 -0.141 0.000 0.978 259 Q CA 1.914 57.590 55.803 -0.212 0.000 0.844 259 Q CB -0.058 28.625 28.738 -0.092 0.000 0.898 259 Q HN 0.532 nan 8.270 nan 0.000 0.426 260 Q N -0.492 119.221 119.800 -0.146 0.000 2.124 260 Q HA -0.146 3.971 4.340 -0.371 0.000 0.202 260 Q C 2.139 178.087 176.000 -0.086 0.000 0.977 260 Q CA 1.475 57.224 55.803 -0.091 0.000 0.850 260 Q CB 0.026 28.712 28.738 -0.087 0.000 0.901 260 Q HN 0.330 nan 8.270 nan 0.000 0.429 261 R N -0.555 119.846 120.500 -0.165 0.000 2.092 261 R HA -0.106 4.011 4.340 -0.371 0.000 0.231 261 R C 2.010 178.329 176.300 0.031 0.000 1.119 261 R CA 1.057 57.087 56.100 -0.116 0.000 0.970 261 R CB -0.171 30.006 30.300 -0.205 0.000 0.864 261 R HN 0.211 nan 8.270 nan 0.000 0.440 262 F N 1.620 121.542 119.950 -0.046 0.000 2.171 262 F HA -0.123 4.175 4.527 -0.381 0.000 0.300 262 F C 2.388 178.166 175.800 -0.037 0.000 1.090 262 F CA 0.975 58.954 58.000 -0.035 0.000 1.293 262 F CB -0.594 38.386 39.000 -0.033 0.000 1.013 262 F HN -0.061 nan 8.300 nan 0.000 0.486 263 E N 0.212 120.501 120.200 0.148 0.000 2.106 263 E HA -0.187 3.940 4.350 -0.371 0.000 0.192 263 E C 2.144 178.765 176.600 0.036 0.000 0.984 263 E CA 0.826 57.267 56.400 0.068 0.000 0.806 263 E CB -0.527 29.194 29.700 0.035 0.000 0.750 263 E HN 0.540 nan 8.360 nan 0.000 0.458 264 Q N 0.580 120.396 119.800 0.028 0.000 2.061 264 Q HA -0.169 3.948 4.340 -0.371 0.000 0.204 264 Q C 1.845 177.849 176.000 0.007 0.000 0.984 264 Q CA 1.399 57.206 55.803 0.007 0.000 0.846 264 Q CB -0.039 28.696 28.738 -0.005 0.000 0.902 264 Q HN 0.208 nan 8.270 nan 0.000 0.421 265 D N 0.282 120.702 120.400 0.034 0.000 2.116 265 D HA -0.152 4.265 4.640 -0.371 0.000 0.193 265 D C 1.584 177.864 176.300 -0.033 0.000 0.998 265 D CA 1.021 55.026 54.000 0.008 0.000 0.836 265 D CB -0.319 40.515 40.800 0.057 0.000 0.951 265 D HN 0.176 nan 8.370 nan 0.000 0.449 266 N N 0.418 119.105 118.700 -0.020 0.000 2.244 266 N HA -0.053 4.465 4.740 -0.371 0.000 0.183 266 N C 1.820 177.302 175.510 -0.046 0.000 1.016 266 N CA 0.446 53.465 53.050 -0.052 0.000 0.866 266 N CB -0.049 38.417 38.487 -0.035 0.000 0.980 266 N HN 0.231 nan 8.380 nan 0.000 0.430 267 R N 0.915 121.400 120.500 -0.026 0.000 2.075 267 R HA 0.024 4.142 4.340 -0.371 0.000 0.232 267 R C 1.982 178.263 176.300 -0.031 0.000 1.126 267 R CA 1.006 57.092 56.100 -0.024 0.000 0.963 267 R CB -0.001 30.291 30.300 -0.014 0.000 0.858 267 R HN 0.234 nan 8.270 nan 0.000 0.435 268 K N 0.211 120.589 120.400 -0.037 0.000 2.057 268 K HA -0.124 3.973 4.320 -0.371 0.000 0.207 268 K C 2.177 178.743 176.600 -0.057 0.000 1.049 268 K CA 1.207 57.469 56.287 -0.043 0.000 0.931 268 K CB -0.073 32.397 32.500 -0.050 0.000 0.714 268 K HN 0.105 nan 8.250 nan 0.000 0.440 269 R N 0.506 120.958 120.500 -0.079 0.000 2.083 269 R HA -0.134 3.984 4.340 -0.371 0.000 0.237 269 R C 2.412 178.669 176.300 -0.072 0.000 1.137 269 R CA 1.472 57.512 56.100 -0.099 0.000 0.951 269 R CB -0.420 29.785 30.300 -0.157 0.000 0.851 269 R HN 0.203 nan 8.270 nan 0.000 0.434 270 A N 1.066 123.851 122.820 -0.059 0.000 1.908 270 A HA -0.148 3.950 4.320 -0.371 0.000 0.218 270 A C 2.350 179.917 177.584 -0.028 0.000 1.181 270 A CA 1.771 53.785 52.037 -0.039 0.000 0.627 270 A CB -0.722 18.260 19.000 -0.030 0.000 0.818 270 A HN 0.428 nan 8.150 nan 0.000 0.445 271 A N -0.431 122.373 122.820 -0.026 0.000 1.972 271 A HA -0.126 3.972 4.320 -0.371 0.000 0.219 271 A C 2.105 179.680 177.584 -0.015 0.000 1.169 271 A CA 1.414 53.441 52.037 -0.017 0.000 0.635 271 A CB -0.338 18.653 19.000 -0.015 0.000 0.810 271 A HN 0.544 nan 8.150 nan 0.000 0.446 272 R N -1.407 119.080 120.500 -0.022 0.000 2.359 272 R HA 0.251 4.368 4.340 -0.371 0.000 0.231 272 R C 1.082 177.373 176.300 -0.016 0.000 0.913 272 R CA 0.444 56.534 56.100 -0.016 0.000 1.075 272 R CB -0.001 30.287 30.300 -0.021 0.000 1.087 272 R HN 0.619 nan 8.270 nan 0.000 0.515 273 G N 1.449 110.237 108.800 -0.019 0.000 2.160 273 G HA2 -0.283 3.454 3.960 -0.371 0.000 0.251 273 G HA3 -0.283 3.454 3.960 -0.371 0.000 0.251 273 G C 0.029 174.916 174.900 -0.021 0.000 1.008 273 G CA 0.056 45.147 45.100 -0.015 0.000 0.724 273 G HN 0.189 nan 8.290 nan 0.000 0.514 274 L N 0.083 121.281 121.223 -0.040 0.000 2.360 274 L HA 0.500 4.617 4.340 -0.371 0.000 0.271 274 L C -1.728 175.089 176.870 -0.088 0.000 1.057 274 L CA -2.443 52.361 54.840 -0.060 0.000 0.803 274 L CB 1.303 43.310 42.059 -0.086 0.000 1.207 274 L HN -0.131 nan 8.230 nan 0.000 0.445 275 P HA 0.070 nan 4.420 nan 0.000 0.269 275 P C -1.323 175.819 177.300 -0.264 0.000 1.209 275 P CA -0.216 62.828 63.100 -0.094 0.000 0.776 275 P CB 0.421 32.140 31.700 0.032 0.000 0.876 276 Q N 1.546 121.260 119.800 -0.143 0.000 2.256 276 Q HA 0.280 4.397 4.340 -0.371 0.000 0.254 276 Q C -0.313 175.643 176.000 -0.073 0.000 0.916 276 Q CA -0.408 55.302 55.803 -0.155 0.000 0.932 276 Q CB 0.728 29.432 28.738 -0.055 0.000 1.207 276 Q HN 0.500 nan 8.270 nan 0.000 0.426 277 H N 2.523 121.521 119.070 -0.120 0.000 2.479 277 H HA 0.320 4.652 4.556 -0.374 0.000 0.335 277 H C -2.154 173.039 175.328 -0.226 0.000 1.142 277 H CA -2.486 53.416 56.048 -0.245 0.000 1.234 277 H CB 0.707 30.224 29.762 -0.410 0.000 1.503 277 H HN 0.467 nan 8.280 nan 0.000 0.510 278 P HA 0.116 nan 4.420 nan 0.000 0.271 278 P C 0.064 177.265 177.300 -0.166 0.000 1.216 278 P CA 0.012 63.056 63.100 -0.093 0.000 0.771 278 P CB 0.963 32.633 31.700 -0.049 0.000 0.864 279 I N 2.581 123.093 120.570 -0.097 0.000 2.474 279 I HA 0.064 4.011 4.170 -0.371 0.000 0.287 279 I C 1.169 177.243 176.117 -0.072 0.000 1.048 279 I CA -0.202 61.028 61.300 -0.117 0.000 1.383 279 I CB 0.364 38.367 38.000 0.005 0.000 1.412 279 I HN 0.273 nan 8.210 nan 0.000 0.531 280 D N 6.578 126.929 120.400 -0.082 0.000 2.367 280 D HA -0.039 4.378 4.640 -0.371 0.000 0.255 280 D C 1.236 177.540 176.300 0.007 0.000 1.300 280 D CA 0.024 54.017 54.000 -0.012 0.000 0.959 280 D CB 0.829 41.683 40.800 0.090 0.000 1.064 280 D HN 0.573 nan 8.370 nan 0.000 0.509 281 Q N 3.062 122.869 119.800 0.012 0.000 2.170 281 Q HA -0.189 3.928 4.340 -0.371 0.000 0.203 281 Q C 0.779 176.780 176.000 0.002 0.000 0.976 281 Q CA 0.749 56.562 55.803 0.015 0.000 0.858 281 Q CB -0.057 28.692 28.738 0.019 0.000 0.907 281 Q HN 0.293 nan 8.270 nan 0.000 0.433 282 N N 1.132 119.832 118.700 -0.000 0.000 2.166 282 N HA -0.122 4.395 4.740 -0.371 0.000 0.186 282 N C 1.840 177.327 175.510 -0.039 0.000 1.019 282 N CA 1.056 54.100 53.050 -0.009 0.000 0.856 282 N CB -0.241 38.248 38.487 0.003 0.000 0.993 282 N HN 0.251 nan 8.380 nan 0.000 0.426 283 L N 1.362 122.545 121.223 -0.067 0.000 1.994 283 L HA -0.070 4.047 4.340 -0.371 0.000 0.208 283 L C 1.934 178.746 176.870 -0.097 0.000 1.071 283 L CA 1.392 56.155 54.840 -0.127 0.000 0.745 283 L CB -0.607 41.283 42.059 -0.281 0.000 0.892 283 L HN -0.003 nan 8.230 nan 0.000 0.431 284 I N -0.027 120.510 120.570 -0.056 0.000 2.163 284 I HA -0.232 3.715 4.170 -0.371 0.000 0.243 284 I C 2.532 178.621 176.117 -0.047 0.000 1.085 284 I CA 1.252 62.521 61.300 -0.051 0.000 1.347 284 I CB -1.516 36.476 38.000 -0.014 0.000 1.044 284 I HN 0.376 nan 8.210 nan 0.000 0.408 285 E N 0.870 121.051 120.200 -0.030 0.000 2.153 285 E HA -0.141 3.986 4.350 -0.371 0.000 0.194 285 E C 2.313 178.895 176.600 -0.029 0.000 0.988 285 E CA 1.359 57.745 56.400 -0.023 0.000 0.811 285 E CB -0.219 29.474 29.700 -0.011 0.000 0.746 285 E HN 0.492 nan 8.360 nan 0.000 0.466 286 A N 1.181 123.978 122.820 -0.038 0.000 1.898 286 A HA -0.100 3.997 4.320 -0.371 0.000 0.216 286 A C 2.368 179.923 177.584 -0.048 0.000 1.181 286 A CA 0.894 52.906 52.037 -0.040 0.000 0.620 286 A CB -0.667 18.303 19.000 -0.050 0.000 0.819 286 A HN 0.184 nan 8.150 nan 0.000 0.442 287 L N -0.658 120.526 121.223 -0.066 0.000 2.131 287 L HA -0.205 3.912 4.340 -0.371 0.000 0.210 287 L C 2.477 179.315 176.870 -0.053 0.000 1.092 287 L CA 1.500 56.297 54.840 -0.070 0.000 0.759 287 L CB -0.470 41.530 42.059 -0.099 0.000 0.903 287 L HN 0.391 nan 8.230 nan 0.000 0.435 288 K N -0.341 120.032 120.400 -0.045 0.000 2.097 288 K HA -0.108 3.990 4.320 -0.371 0.000 0.205 288 K C 2.055 178.640 176.600 -0.023 0.000 1.050 288 K CA 0.988 57.255 56.287 -0.034 0.000 0.938 288 K CB -0.123 32.360 32.500 -0.028 0.000 0.718 288 K HN 0.120 nan 8.250 nan 0.000 0.442 289 V N 0.277 120.178 119.914 -0.021 0.000 2.427 289 V HA -0.063 3.834 4.120 -0.371 0.000 0.248 289 V C 0.867 176.954 176.094 -0.010 0.000 1.051 289 V CA 1.294 63.586 62.300 -0.013 0.000 1.048 289 V CB -0.311 31.506 31.823 -0.010 0.000 0.666 289 V HN 0.612 nan 8.190 nan 0.000 0.456 290 G N 0.390 109.180 108.800 -0.017 0.000 3.220 290 G HA2 -0.065 3.672 3.960 -0.371 0.000 0.636 290 G HA3 -0.065 3.672 3.960 -0.371 0.000 0.636 290 G C -0.860 174.033 174.900 -0.011 0.000 1.226 290 G CA -0.208 44.886 45.100 -0.011 0.000 1.177 290 G HN 0.200 nan 8.290 nan 0.000 0.527 291 M N 3.827 123.414 119.600 -0.021 0.000 2.209 291 M HA 0.587 4.844 4.480 -0.371 0.000 0.355 291 M C -2.003 174.296 176.300 -0.002 0.000 1.171 291 M CA -1.908 53.377 55.300 -0.024 0.000 1.069 291 M CB 1.251 33.822 32.600 -0.048 0.000 1.622 291 M HN 0.282 nan 8.290 nan 0.000 0.459 292 P HA 0.012 nan 4.420 nan 0.000 0.269 292 P C -1.128 176.187 177.300 0.025 0.000 1.215 292 P CA -0.133 62.984 63.100 0.029 0.000 0.780 292 P CB 0.385 32.081 31.700 -0.008 0.000 0.898 293 D N 1.237 121.692 120.400 0.091 0.000 2.493 293 D HA 0.091 4.508 4.640 -0.371 0.000 0.240 293 D C -0.538 175.831 176.300 0.114 0.000 1.142 293 D CA 0.430 54.514 54.000 0.140 0.000 0.872 293 D CB 0.250 41.207 40.800 0.263 0.000 1.173 293 D HN 0.494 nan 8.370 nan 0.000 0.467 294 C N 0.744 120.144 119.300 0.167 0.000 3.306 294 C HA 0.723 4.960 4.460 -0.371 0.000 0.335 294 C C -0.843 174.327 174.990 0.301 0.000 1.382 294 C CA -0.880 58.253 59.018 0.191 0.000 1.254 294 C CB 1.377 29.186 27.740 0.116 0.000 1.555 294 C HN 0.465 nan 8.230 nan 0.000 0.463 295 S N -0.416 115.438 115.700 0.256 0.000 2.542 295 S HA 0.953 5.200 4.470 -0.371 0.000 0.293 295 S C -0.037 174.562 174.600 -0.001 0.000 1.089 295 S CA 0.086 58.415 58.200 0.215 0.000 0.961 295 S CB 1.828 65.166 63.200 0.230 0.000 1.062 295 S HN 1.554 nan 8.310 nan 0.000 0.483 296 G N -0.003 108.684 108.800 -0.189 0.000 2.642 296 G HA2 0.767 4.504 3.960 -0.371 0.000 0.293 296 G HA3 0.767 4.504 3.960 -0.371 0.000 0.293 296 G C -1.781 172.626 174.900 -0.822 0.000 1.341 296 G CA -0.772 43.845 45.100 -0.805 0.000 0.916 296 G HN 0.778 nan 8.290 nan 0.000 0.474 297 V N -0.696 118.593 119.914 -1.041 0.000 3.000 297 V HA 0.808 4.705 4.120 -0.371 0.000 0.300 297 V C -1.130 174.562 176.094 -0.670 0.000 1.251 297 V CA -0.189 61.591 62.300 -0.867 0.000 0.972 297 V CB 1.847 33.197 31.823 -0.787 0.000 1.065 297 V HN 1.777 nan 8.190 nan 0.000 0.431 298 A N 6.361 128.906 122.820 -0.459 0.000 2.318 298 A HA 0.900 4.997 4.320 -0.371 0.000 0.317 298 A C -1.193 176.326 177.584 -0.108 0.000 1.159 298 A CA -0.506 51.411 52.037 -0.199 0.000 0.799 298 A CB 1.335 20.244 19.000 -0.151 0.000 1.194 298 A HN 1.464 nan 8.150 nan 0.000 0.479 299 L N 2.575 123.822 121.223 0.039 0.000 2.362 299 L HA 0.827 4.944 4.340 -0.371 0.000 0.271 299 L C 0.414 177.341 176.870 0.095 0.000 1.002 299 L CA -0.658 54.218 54.840 0.061 0.000 0.818 299 L CB 2.007 44.163 42.059 0.160 0.000 1.298 299 L HN 0.747 nan 8.230 nan 0.000 0.420 300 G N 3.275 112.099 108.800 0.039 0.000 2.396 300 G HA2 0.338 4.075 3.960 -0.371 0.000 0.292 300 G HA3 0.338 4.075 3.960 -0.371 0.000 0.292 300 G C 0.711 175.651 174.900 0.067 0.000 1.106 300 G CA -0.387 44.753 45.100 0.066 0.000 1.055 300 G HN 0.578 nan 8.290 nan 0.000 0.424 301 V N 2.684 122.665 119.914 0.111 0.000 2.407 301 V HA -0.168 3.729 4.120 -0.371 0.000 0.248 301 V C 2.380 178.507 176.094 0.056 0.000 1.055 301 V CA 2.017 64.364 62.300 0.077 0.000 1.049 301 V CB -0.265 31.606 31.823 0.080 0.000 0.662 301 V HN 0.657 nan 8.190 nan 0.000 0.455 302 D N 0.036 120.480 120.400 0.072 0.000 2.117 302 D HA -0.184 4.233 4.640 -0.371 0.000 0.197 302 D C 2.336 178.648 176.300 0.021 0.000 0.987 302 D CA 1.224 55.252 54.000 0.048 0.000 0.829 302 D CB -0.165 40.675 40.800 0.065 0.000 0.961 302 D HN 0.423 nan 8.370 nan 0.000 0.460 303 R N 0.146 120.643 120.500 -0.005 0.000 2.092 303 R HA -0.077 4.041 4.340 -0.371 0.000 0.231 303 R C 2.416 178.709 176.300 -0.011 0.000 1.119 303 R CA 0.392 56.477 56.100 -0.025 0.000 0.970 303 R CB -0.333 29.910 30.300 -0.094 0.000 0.864 303 R HN 0.102 nan 8.270 nan 0.000 0.440 304 L N 0.563 121.786 121.223 -0.000 0.000 2.046 304 L HA -0.138 3.980 4.340 -0.371 0.000 0.208 304 L C 1.984 178.863 176.870 0.016 0.000 1.077 304 L CA 1.570 56.417 54.840 0.011 0.000 0.747 304 L CB -0.196 41.870 42.059 0.012 0.000 0.896 304 L HN -0.089 nan 8.230 nan 0.000 0.432 305 V N -0.496 119.427 119.914 0.015 0.000 2.427 305 V HA -0.299 3.598 4.120 -0.371 0.000 0.248 305 V C 2.539 178.641 176.094 0.013 0.000 1.051 305 V CA 1.950 64.258 62.300 0.013 0.000 1.048 305 V CB -0.479 31.352 31.823 0.014 0.000 0.666 305 V HN 0.578 nan 8.190 nan 0.000 0.456 306 M N -0.569 119.042 119.600 0.017 0.000 2.080 306 M HA -0.192 4.066 4.480 -0.371 0.000 0.260 306 M C 2.107 178.416 176.300 0.016 0.000 1.068 306 M CA 2.059 57.372 55.300 0.021 0.000 1.109 306 M CB -0.146 32.481 32.600 0.045 0.000 1.342 306 M HN 0.265 nan 8.290 nan 0.000 0.405 307 L N -0.106 121.124 121.223 0.012 0.000 2.027 307 L HA -0.148 3.969 4.340 -0.371 0.000 0.206 307 L C 2.783 179.666 176.870 0.022 0.000 1.074 307 L CA 1.168 56.012 54.840 0.007 0.000 0.745 307 L CB -1.082 40.992 42.059 0.024 0.000 0.898 307 L HN 0.398 nan 8.230 nan 0.000 0.433 308 A N 0.205 123.042 122.820 0.028 0.000 1.908 308 A HA -0.159 3.938 4.320 -0.371 0.000 0.218 308 A C 2.115 179.708 177.584 0.014 0.000 1.181 308 A CA 1.532 53.584 52.037 0.024 0.000 0.627 308 A CB -0.616 18.394 19.000 0.015 0.000 0.818 308 A HN 0.431 nan 8.150 nan 0.000 0.445 309 L N -1.504 119.724 121.223 0.008 0.000 2.567 309 L HA 0.216 4.333 4.340 -0.371 0.000 0.225 309 L C 1.558 178.428 176.870 -0.000 0.000 1.119 309 L CA 0.446 55.288 54.840 0.003 0.000 0.871 309 L CB -0.498 41.560 42.059 -0.002 0.000 1.036 309 L HN 0.575 nan 8.230 nan 0.000 0.459 310 G N 1.208 110.008 108.800 0.001 0.000 2.221 310 G HA2 -0.268 3.469 3.960 -0.371 0.000 0.265 310 G HA3 -0.268 3.469 3.960 -0.371 0.000 0.265 310 G C 0.382 175.280 174.900 -0.004 0.000 1.041 310 G CA 0.237 45.334 45.100 -0.004 0.000 0.807 310 G HN 0.520 nan 8.290 nan 0.000 0.502 311 A N -0.680 122.141 122.820 0.001 0.000 2.351 311 A HA 0.702 4.799 4.320 -0.371 0.000 0.257 311 A C 1.299 178.889 177.584 0.010 0.000 1.087 311 A CA 0.402 52.438 52.037 -0.002 0.000 0.798 311 A CB 0.460 19.458 19.000 -0.005 0.000 1.033 311 A HN 0.234 nan 8.150 nan 0.000 0.488 312 E N 0.034 120.231 120.200 -0.005 0.000 2.170 312 E HA 0.014 4.141 4.350 -0.371 0.000 0.191 312 E C 0.803 177.387 176.600 -0.026 0.000 0.981 312 E CA 1.555 57.952 56.400 -0.005 0.000 0.830 312 E CB -0.096 29.588 29.700 -0.027 0.000 0.775 312 E HN 0.851 nan 8.360 nan 0.000 0.470 313 T N -2.581 111.945 114.554 -0.047 0.000 2.901 313 T HA 0.359 4.487 4.350 -0.371 0.000 0.293 313 T C 0.796 175.473 174.700 -0.039 0.000 1.084 313 T CA -0.779 61.263 62.100 -0.097 0.000 1.008 313 T CB 1.478 70.274 68.868 -0.121 0.000 1.170 313 T HN -0.161 nan 8.240 nan 0.000 0.509 314 L N 1.671 122.872 121.223 -0.037 0.000 2.083 314 L HA 0.156 4.273 4.340 -0.371 0.000 0.209 314 L C 2.903 179.766 176.870 -0.011 0.000 1.083 314 L CA 2.371 57.212 54.840 0.001 0.000 0.752 314 L CB -1.220 40.844 42.059 0.008 0.000 0.899 314 L HN 0.994 nan 8.230 nan 0.000 0.433 315 A N -1.038 121.766 122.820 -0.027 0.000 1.986 315 A HA -0.253 3.844 4.320 -0.371 0.000 0.220 315 A C 2.114 179.668 177.584 -0.051 0.000 1.171 315 A CA 1.864 53.883 52.037 -0.030 0.000 0.640 315 A CB -0.565 18.413 19.000 -0.036 0.000 0.811 315 A HN 0.593 nan 8.150 nan 0.000 0.451 316 E N -0.613 119.557 120.200 -0.050 0.000 2.418 316 E HA -0.030 4.097 4.350 -0.371 0.000 0.197 316 E C 1.315 177.885 176.600 -0.050 0.000 1.026 316 E CA 1.026 57.392 56.400 -0.057 0.000 0.862 316 E CB -0.011 29.661 29.700 -0.047 0.000 0.799 316 E HN 0.682 nan 8.360 nan 0.000 0.518 317 V N -2.201 117.692 119.914 -0.034 0.000 3.432 317 V HA 0.333 4.230 4.120 -0.371 0.000 0.298 317 V C 0.366 176.447 176.094 -0.022 0.000 1.464 317 V CA -0.327 61.958 62.300 -0.025 0.000 1.046 317 V CB 0.026 31.846 31.823 -0.005 0.000 0.887 317 V HN -0.039 nan 8.190 nan 0.000 0.441 318 I N 1.218 121.770 120.570 -0.030 0.000 2.378 318 I HA 0.656 4.603 4.170 -0.371 0.000 0.291 318 I C 1.685 177.757 176.117 -0.074 0.000 0.992 318 I CA -0.193 61.099 61.300 -0.014 0.000 1.154 318 I CB 1.959 39.973 38.000 0.023 0.000 1.315 318 I HN 0.105 nan 8.210 nan 0.000 0.448 319 A N 6.458 129.230 122.820 -0.079 0.000 1.903 319 A HA -0.135 3.962 4.320 -0.371 0.000 0.219 319 A C 0.550 177.759 177.584 -0.625 0.000 1.191 319 A CA 1.845 53.709 52.037 -0.288 0.000 0.638 319 A CB -0.259 18.697 19.000 -0.075 0.000 0.823 319 A HN 0.579 nan 8.150 nan 0.000 0.451 320 F N -0.287 119.670 119.950 0.012 0.000 2.828 320 F HA 0.337 4.640 4.527 -0.373 0.000 0.355 320 F C 0.497 176.307 175.800 0.017 0.000 1.200 320 F CA -0.501 57.505 58.000 0.011 0.000 1.062 320 F CB 1.323 40.336 39.000 0.022 0.000 1.351 320 F HN 0.117 nan 8.300 nan 0.000 0.504 321 S N 0.577 116.353 115.700 0.127 0.000 2.576 321 S HA 0.089 4.336 4.470 -0.371 0.000 0.272 321 S C 1.180 175.856 174.600 0.127 0.000 1.352 321 S CA -0.579 57.681 58.200 0.101 0.000 1.021 321 S CB 1.593 64.824 63.200 0.052 0.000 0.887 321 S HN 0.567 nan 8.310 nan 0.000 0.542 322 V N 1.588 121.570 119.914 0.114 0.000 2.453 322 V HA -0.233 3.665 4.120 -0.371 0.000 0.252 322 V C 2.239 178.388 176.094 0.093 0.000 1.068 322 V CA 2.667 65.033 62.300 0.110 0.000 1.070 322 V CB -1.176 30.723 31.823 0.126 0.000 0.664 322 V HN 1.064 nan 8.190 nan 0.000 0.461 323 D N -0.424 120.025 120.400 0.081 0.000 2.263 323 D HA -0.235 4.182 4.640 -0.371 0.000 0.208 323 D C 2.000 178.344 176.300 0.072 0.000 0.971 323 D CA 1.366 55.405 54.000 0.065 0.000 0.867 323 D CB -0.383 40.445 40.800 0.046 0.000 0.929 323 D HN 0.515 nan 8.370 nan 0.000 0.492 324 R N -0.063 120.499 120.500 0.104 0.000 2.335 324 R HA 0.410 4.527 4.340 -0.371 0.000 0.210 324 R C 1.186 177.566 176.300 0.134 0.000 0.892 324 R CA 0.207 56.391 56.100 0.140 0.000 1.048 324 R CB 0.527 30.952 30.300 0.208 0.000 1.067 324 R HN 0.110 nan 8.270 nan 0.000 0.524 325 A N 0.000 122.886 122.820 0.111 0.000 2.254 325 A HA 0.000 4.097 4.320 -0.371 0.000 0.244 325 A CA 0.000 52.051 52.037 0.024 0.000 0.836 325 A CB 0.000 19.034 19.000 0.057 0.000 0.831 325 A HN 0.000 nan 8.150 nan 0.000 0.486