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 2phd_1_A DATA FIRST_RESID 17 DATA SEQUENCE PKDTPELRAL YKSFEEESII PLWTQLGDLM PIHPKSKAVP HVWKWSTLLR DATA SEQUENCE LARKSGELVP VGRGGERRAL GLANPGLGGN AYISPTMWAG IQYLGPRETA DATA SEQUENCE PEHRHSQNAF RFVVEGEGVW TVVNGDPVRM SRGDLLLTPG WCFHGHMNDT DATA SEQUENCE DQPMAWIDGL DIPFSQQMDV GFFEFGSDXX TDYATPNFSR GERLWCHPGL DATA SEQUENCE RPLSGLQNTV ASPIGAYRWE FTDRALTEQL LLEDEGQPAT VAPGHAAIRY DATA SEQUENCE VNPTTGGDVM PTLRCEFHRL RAGTETATRN EVGSTVFQVF EGAGAVVMNG DATA SEQUENCE ETTKLEKGDM FVVPSWVPWS LQAETQFDLF RFSDAPIMEA LSFMRTKIEG DATA SEQUENCE Q 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.362 177.300 0.104 0.000 1.155 17 P CA 0.000 63.221 63.100 0.202 0.000 0.800 17 P CB 0.000 31.916 31.700 0.360 0.000 0.726 18 K N -0.836 119.622 120.400 0.097 0.000 3.248 18 K HA 0.691 5.011 4.320 -0.001 0.000 0.255 18 K C 0.896 177.497 176.600 0.001 0.000 1.395 18 K CA 1.002 57.304 56.287 0.025 0.000 1.139 18 K CB -0.911 31.596 32.500 0.012 0.000 2.091 18 K HN 0.600 nan 8.250 nan 0.000 0.408 19 D N -1.345 119.043 120.400 -0.019 0.000 3.604 19 D HA 0.531 5.171 4.640 -0.001 0.000 0.169 19 D C 1.009 177.274 176.300 -0.058 0.000 1.155 19 D CA 0.805 54.782 54.000 -0.038 0.000 1.422 19 D CB 0.459 41.231 40.800 -0.047 0.000 1.132 19 D HN 0.288 nan 8.370 nan 0.000 0.254 20 T N -1.468 113.036 114.554 -0.083 0.000 3.384 20 T HA 0.148 4.497 4.350 -0.001 0.000 0.269 20 T C -1.736 172.901 174.700 -0.105 0.000 0.852 20 T CA 0.939 62.977 62.100 -0.104 0.000 0.813 20 T CB -0.340 68.488 68.868 -0.067 0.000 1.220 20 T HN 0.311 nan 8.240 nan 0.000 0.742 21 P HA -0.096 nan 4.420 nan 0.000 0.203 21 P C 0.684 177.940 177.300 -0.073 0.000 1.087 21 P CA 1.775 64.836 63.100 -0.064 0.000 0.952 21 P CB 0.129 31.797 31.700 -0.053 0.000 0.758 22 E N -1.809 118.345 120.200 -0.077 0.000 2.651 22 E HA 0.165 4.514 4.350 -0.001 0.000 0.208 22 E C 1.393 177.928 176.600 -0.109 0.000 0.997 22 E CA -0.237 56.116 56.400 -0.077 0.000 1.020 22 E CB -0.884 28.784 29.700 -0.053 0.000 1.052 22 E HN 0.068 nan 8.360 nan 0.000 0.465 23 L N -0.279 120.849 121.223 -0.158 0.000 2.131 23 L HA 0.087 4.427 4.340 -0.001 0.000 0.206 23 L C 2.053 178.698 176.870 -0.375 0.000 1.087 23 L CA 0.991 55.675 54.840 -0.259 0.000 0.767 23 L CB 0.099 41.971 42.059 -0.311 0.000 0.917 23 L HN 0.023 nan 8.230 nan 0.000 0.441 24 R N 0.695 121.019 120.500 -0.293 0.000 2.096 24 R HA -0.037 4.302 4.340 -0.001 0.000 0.240 24 R C 1.105 177.341 176.300 -0.107 0.000 1.139 24 R CA 1.339 57.306 56.100 -0.220 0.000 0.952 24 R CB -0.538 29.689 30.300 -0.122 0.000 0.854 24 R HN 0.461 nan 8.270 nan 0.000 0.436 25 A N -0.138 122.628 122.820 -0.092 0.000 3.094 25 A HA 0.386 4.706 4.320 -0.001 0.000 0.288 25 A C 0.312 177.848 177.584 -0.079 0.000 1.519 25 A CA -0.204 51.798 52.037 -0.057 0.000 1.227 25 A CB -0.019 18.956 19.000 -0.041 0.000 1.175 25 A HN 0.360 nan 8.150 nan 0.000 0.568 26 L N -0.423 120.736 121.223 -0.107 0.000 1.589 26 L HA 0.211 4.551 4.340 -0.001 0.000 0.161 26 L C 1.128 177.774 176.870 -0.373 0.000 1.300 26 L CA 0.586 55.297 54.840 -0.216 0.000 1.196 26 L CB -0.507 41.431 42.059 -0.202 0.000 2.497 26 L HN 0.269 nan 8.230 nan 0.000 0.492 27 Y N 1.472 121.497 120.300 -0.459 0.000 2.181 27 Y HA -0.293 4.256 4.550 -0.001 0.000 0.284 27 Y C 2.604 178.424 175.900 -0.133 0.000 1.179 27 Y CA 1.996 59.916 58.100 -0.299 0.000 1.179 27 Y CB -0.782 37.619 38.460 -0.098 0.000 0.973 27 Y HN 0.283 nan 8.280 nan 0.000 0.519 28 K N 0.277 120.709 120.400 0.053 0.000 1.991 28 K HA -0.166 4.153 4.320 -0.001 0.000 0.212 28 K C 2.244 178.869 176.600 0.042 0.000 1.049 28 K CA 2.040 58.350 56.287 0.039 0.000 0.932 28 K CB -0.480 32.028 32.500 0.013 0.000 0.717 28 K HN 0.230 nan 8.250 nan 0.000 0.441 29 S N 0.393 116.097 115.700 0.007 0.000 2.370 29 S HA -0.148 4.321 4.470 -0.001 0.000 0.226 29 S C 1.837 176.555 174.600 0.197 0.000 1.033 29 S CA 1.303 59.541 58.200 0.064 0.000 1.011 29 S CB -0.583 62.639 63.200 0.037 0.000 0.852 29 S HN 0.150 nan 8.310 nan 0.000 0.457 30 F N 2.210 122.171 119.950 0.018 0.000 2.065 30 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 30 F C 2.476 178.249 175.800 -0.046 0.000 1.112 30 F CA 0.877 58.853 58.000 -0.039 0.000 1.212 30 F CB -1.456 37.475 39.000 -0.115 0.000 0.975 30 F HN 0.328 nan 8.300 nan 0.000 0.476 31 E N -0.154 120.150 120.200 0.173 0.000 2.097 31 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 31 E C 2.004 178.639 176.600 0.058 0.000 1.000 31 E CA 1.736 58.184 56.400 0.078 0.000 0.804 31 E CB -0.338 29.398 29.700 0.060 0.000 0.740 31 E HN 0.487 nan 8.360 nan 0.000 0.454 32 E N 0.427 120.668 120.200 0.068 0.000 2.072 32 E HA -0.115 4.235 4.350 -0.001 0.000 0.190 32 E C 1.642 178.270 176.600 0.047 0.000 0.982 32 E CA 0.759 57.188 56.400 0.049 0.000 0.803 32 E CB 0.231 29.959 29.700 0.047 0.000 0.755 32 E HN 0.141 nan 8.360 nan 0.000 0.453 33 E N 0.185 120.428 120.200 0.071 0.000 2.489 33 E HA 0.005 4.355 4.350 -0.001 0.000 0.193 33 E C -0.052 176.557 176.600 0.014 0.000 1.057 33 E CA 0.658 57.089 56.400 0.052 0.000 0.866 33 E CB 0.333 30.082 29.700 0.082 0.000 0.916 33 E HN 0.207 nan 8.360 nan 0.000 0.500 34 S N 0.296 116.000 115.700 0.006 0.000 3.797 34 S HA -0.168 4.302 4.470 -0.001 0.000 0.374 34 S C 0.139 174.687 174.600 -0.087 0.000 0.970 34 S CA 0.308 58.488 58.200 -0.033 0.000 1.177 34 S CB -2.348 60.834 63.200 -0.031 0.000 0.891 34 S HN 0.246 nan 8.310 nan 0.000 0.491 35 I N 1.632 122.123 120.570 -0.132 0.000 2.418 35 I HA 0.491 4.660 4.170 -0.001 0.000 0.287 35 I C 0.418 176.297 176.117 -0.397 0.000 1.008 35 I CA -0.860 60.252 61.300 -0.313 0.000 1.104 35 I CB 1.585 39.276 38.000 -0.515 0.000 1.264 35 I HN 0.434 nan 8.210 nan 0.000 0.438 36 I N 7.932 128.279 120.570 -0.371 0.000 2.321 36 I HA 0.311 4.481 4.170 -0.001 0.000 0.291 36 I C -1.988 173.800 176.117 -0.548 0.000 0.998 36 I CA -1.723 59.336 61.300 -0.403 0.000 1.227 36 I CB 1.577 39.416 38.000 -0.268 0.000 1.368 36 I HN 0.296 nan 8.210 nan 0.000 0.466 37 P HA 0.136 nan 4.420 nan 0.000 0.280 37 P C 0.793 177.653 177.300 -0.733 0.000 1.244 37 P CA -0.468 62.024 63.100 -1.014 0.000 0.784 37 P CB 1.864 32.471 31.700 -1.821 0.000 0.913 38 L N 2.450 123.441 121.223 -0.386 0.000 2.043 38 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 38 L C 2.216 179.058 176.870 -0.046 0.000 1.075 38 L CA 2.136 56.900 54.840 -0.127 0.000 0.752 38 L CB -0.499 41.582 42.059 0.037 0.000 0.891 38 L HN 0.557 nan 8.230 nan 0.000 0.432 39 W N 0.555 121.849 121.300 -0.010 0.000 2.332 39 W HA -0.195 4.464 4.660 -0.001 0.000 0.321 39 W C 1.555 178.086 176.519 0.020 0.000 1.219 39 W CA 0.892 58.247 57.345 0.018 0.000 1.277 39 W CB -1.842 27.648 29.460 0.050 0.000 1.161 39 W HN 0.181 nan 8.180 nan 0.000 0.476 40 T N 0.640 115.094 114.554 -0.168 0.000 3.121 40 T HA 0.275 4.625 4.350 -0.001 0.000 0.256 40 T C -0.481 174.167 174.700 -0.087 0.000 0.942 40 T CA -0.095 61.965 62.100 -0.067 0.000 1.158 40 T CB -0.037 68.741 68.868 -0.150 0.000 0.963 40 T HN 0.383 nan 8.240 nan 0.000 0.660 41 Q N 2.379 122.171 119.800 -0.013 0.000 2.364 41 Q HA 0.376 4.716 4.340 -0.001 0.000 0.257 41 Q C -0.987 175.010 176.000 -0.005 0.000 0.956 41 Q CA -0.498 55.286 55.803 -0.031 0.000 0.924 41 Q CB 1.475 30.183 28.738 -0.049 0.000 1.413 41 Q HN 0.752 nan 8.270 nan 0.000 0.418 42 L N 3.172 124.387 121.223 -0.013 0.000 2.745 42 L HA 0.019 4.359 4.340 -0.001 0.000 0.273 42 L C 1.573 178.437 176.870 -0.010 0.000 1.156 42 L CA 0.869 55.705 54.840 -0.007 0.000 0.982 42 L CB 0.389 42.441 42.059 -0.011 0.000 1.295 42 L HN 1.040 nan 8.230 nan 0.000 0.483 43 G N 2.029 110.828 108.800 -0.002 0.000 2.564 43 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.217 43 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.217 43 G C 0.767 175.654 174.900 -0.021 0.000 1.120 43 G CA 0.292 45.389 45.100 -0.005 0.000 0.752 43 G HN 0.682 nan 8.290 nan 0.000 0.558 44 D N -0.648 119.736 120.400 -0.025 0.000 2.352 44 D HA 0.149 4.788 4.640 -0.001 0.000 0.236 44 D C 1.863 178.140 176.300 -0.038 0.000 1.148 44 D CA -0.281 53.697 54.000 -0.038 0.000 0.844 44 D CB 0.414 41.194 40.800 -0.034 0.000 0.933 44 D HN 0.194 nan 8.370 nan 0.000 0.507 45 L N -0.205 120.997 121.223 -0.034 0.000 2.131 45 L HA 0.146 4.486 4.340 -0.001 0.000 0.206 45 L C 0.539 177.383 176.870 -0.044 0.000 1.087 45 L CA 1.218 56.035 54.840 -0.039 0.000 0.767 45 L CB 0.058 42.095 42.059 -0.037 0.000 0.917 45 L HN -0.016 nan 8.230 nan 0.000 0.441 46 M N 1.376 120.951 119.600 -0.042 0.000 2.065 46 M HA 0.386 4.865 4.480 -0.001 0.000 0.308 46 M C -2.350 173.915 176.300 -0.059 0.000 0.939 46 M CA -1.674 53.597 55.300 -0.048 0.000 0.890 46 M CB 0.763 33.344 32.600 -0.032 0.000 1.383 46 M HN -0.105 nan 8.290 nan 0.000 0.381 47 P HA 0.225 nan 4.420 nan 0.000 0.274 47 P C 1.044 178.264 177.300 -0.133 0.000 1.231 47 P CA -0.592 62.437 63.100 -0.117 0.000 0.790 47 P CB 0.932 32.551 31.700 -0.134 0.000 0.951 48 I N 0.547 121.014 120.570 -0.171 0.000 2.194 48 I HA -0.165 4.004 4.170 -0.001 0.000 0.246 48 I C 1.182 177.242 176.117 -0.096 0.000 1.093 48 I CA 1.923 63.147 61.300 -0.128 0.000 1.355 48 I CB -1.974 35.951 38.000 -0.126 0.000 1.046 48 I HN 0.640 nan 8.210 nan 0.000 0.413 49 H N -3.041 115.990 119.070 -0.066 0.000 2.990 49 H HA 0.600 5.156 4.556 -0.001 0.000 0.336 49 H C -2.921 172.322 175.328 -0.142 0.000 1.306 49 H CA -2.397 53.530 56.048 -0.201 0.000 1.118 49 H CB -0.198 29.454 29.762 -0.183 0.000 1.856 49 H HN -0.320 nan 8.280 nan 0.000 0.538 50 P HA 0.139 nan 4.420 nan 0.000 0.265 50 P C -0.887 176.564 177.300 0.251 0.000 1.193 50 P CA 0.028 63.173 63.100 0.075 0.000 0.765 50 P CB 0.406 32.143 31.700 0.062 0.000 0.823 51 K N 1.588 122.058 120.400 0.117 0.000 2.701 51 K HA 0.275 4.595 4.320 -0.001 0.000 0.212 51 K C -0.443 176.211 176.600 0.090 0.000 1.035 51 K CA -0.300 56.062 56.287 0.126 0.000 1.048 51 K CB 0.853 33.382 32.500 0.049 0.000 1.234 51 K HN 0.323 nan 8.250 nan 0.000 0.540 52 S N 1.596 117.365 115.700 0.114 0.000 2.564 52 S HA 0.106 4.575 4.470 -0.001 0.000 0.278 52 S C 1.082 175.729 174.600 0.078 0.000 1.333 52 S CA -0.106 58.148 58.200 0.089 0.000 1.048 52 S CB 0.716 63.980 63.200 0.106 0.000 0.900 52 S HN 0.522 nan 8.310 nan 0.000 0.505 53 K N 2.613 123.052 120.400 0.065 0.000 2.097 53 K HA -0.019 4.301 4.320 -0.001 0.000 0.206 53 K C 1.050 177.695 176.600 0.075 0.000 1.049 53 K CA 1.060 57.384 56.287 0.061 0.000 0.933 53 K CB -0.389 32.144 32.500 0.055 0.000 0.717 53 K HN 0.706 nan 8.250 nan 0.000 0.442 54 A N 1.640 124.515 122.820 0.091 0.000 2.483 54 A HA 0.246 4.566 4.320 -0.001 0.000 0.238 54 A C -0.231 177.418 177.584 0.107 0.000 1.070 54 A CA -0.096 52.004 52.037 0.105 0.000 0.770 54 A CB 0.681 19.751 19.000 0.117 0.000 1.008 54 A HN 0.032 nan 8.150 nan 0.000 0.497 55 V N 3.614 123.598 119.914 0.117 0.000 2.789 55 V HA 0.483 4.603 4.120 -0.001 0.000 0.311 55 V C -2.412 173.770 176.094 0.147 0.000 1.073 55 V CA -1.955 60.413 62.300 0.113 0.000 0.921 55 V CB 2.413 34.289 31.823 0.088 0.000 1.009 55 V HN 0.814 nan 8.190 nan 0.000 0.426 56 P HA 0.229 nan 4.420 nan 0.000 0.264 56 P C -1.309 176.092 177.300 0.169 0.000 1.193 56 P CA 0.573 63.764 63.100 0.151 0.000 0.763 56 P CB 0.069 31.826 31.700 0.096 0.000 0.810 57 H N 0.742 119.857 119.070 0.076 0.000 3.079 57 H HA 0.532 5.087 4.556 -0.001 0.000 0.356 57 H C -1.556 173.781 175.328 0.014 0.000 1.221 57 H CA -0.698 55.300 56.048 -0.083 0.000 1.185 57 H CB 1.137 30.728 29.762 -0.285 0.000 1.882 57 H HN 0.051 nan 8.280 nan 0.000 0.543 58 V N 3.290 122.885 119.914 -0.533 0.000 2.815 58 V HA 0.339 4.459 4.120 -0.001 0.000 0.314 58 V C -0.784 175.208 176.094 -0.171 0.000 1.064 58 V CA -0.708 61.556 62.300 -0.059 0.000 0.952 58 V CB 2.060 33.851 31.823 -0.052 0.000 1.020 58 V HN 0.647 nan 8.190 nan 0.000 0.439 59 W N 2.670 124.075 121.300 0.175 0.000 2.554 59 W HA 0.439 5.098 4.660 -0.001 0.000 0.324 59 W C -0.288 176.345 176.519 0.190 0.000 1.018 59 W CA -1.012 56.447 57.345 0.190 0.000 1.243 59 W CB 1.980 31.571 29.460 0.218 0.000 1.345 59 W HN 0.433 nan 8.180 nan 0.000 0.441 60 K N 2.974 123.544 120.400 0.283 0.000 2.412 60 K HA -0.104 4.216 4.320 -0.001 0.000 0.281 60 K C 1.192 177.990 176.600 0.330 0.000 1.027 60 K CA -0.168 56.275 56.287 0.259 0.000 0.989 60 K CB 1.470 34.056 32.500 0.143 0.000 0.935 60 K HN 0.653 nan 8.250 nan 0.000 0.475 61 W N 3.778 125.172 121.300 0.157 0.000 2.335 61 W HA -0.308 4.352 4.660 -0.000 0.000 0.311 61 W C 1.848 178.428 176.519 0.102 0.000 1.213 61 W CA 2.191 59.617 57.345 0.135 0.000 1.274 61 W CB -0.081 29.453 29.460 0.123 0.000 1.148 61 W HN 0.735 nan 8.180 nan 0.000 0.498 62 S N 0.383 116.100 115.700 0.029 0.000 2.387 62 S HA -0.255 4.215 4.470 -0.001 0.000 0.230 62 S C 1.573 176.079 174.600 -0.158 0.000 1.035 62 S CA 2.334 60.460 58.200 -0.123 0.000 1.014 62 S CB -1.098 62.105 63.200 0.005 0.000 0.836 62 S HN 0.280 nan 8.310 nan 0.000 0.466 63 T N 3.009 117.527 114.554 -0.059 0.000 2.701 63 T HA 0.090 4.440 4.350 -0.001 0.000 0.263 63 T C 1.809 176.445 174.700 -0.107 0.000 1.040 63 T CA 1.468 63.540 62.100 -0.047 0.000 1.147 63 T CB -0.665 68.224 68.868 0.036 0.000 0.865 63 T HN 0.312 nan 8.240 nan 0.000 0.426 64 L N 0.539 121.705 121.223 -0.095 0.000 1.997 64 L HA -0.146 4.194 4.340 -0.001 0.000 0.216 64 L C 2.608 179.232 176.870 -0.410 0.000 1.074 64 L CA 1.395 56.136 54.840 -0.165 0.000 0.763 64 L CB -0.597 41.454 42.059 -0.013 0.000 0.890 64 L HN 0.246 nan 8.230 nan 0.000 0.434 65 L N -0.741 120.008 121.223 -0.789 0.000 2.046 65 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 65 L C 2.945 179.599 176.870 -0.360 0.000 1.077 65 L CA 1.346 55.752 54.840 -0.724 0.000 0.747 65 L CB -0.312 41.218 42.059 -0.881 0.000 0.896 65 L HN 0.293 nan 8.230 nan 0.000 0.432 66 R N -0.226 120.103 120.500 -0.285 0.000 2.070 66 R HA -0.170 4.169 4.340 -0.001 0.000 0.233 66 R C 2.268 178.455 176.300 -0.188 0.000 1.137 66 R CA 1.368 57.355 56.100 -0.188 0.000 0.945 66 R CB -0.278 29.944 30.300 -0.131 0.000 0.845 66 R HN 0.377 nan 8.270 nan 0.000 0.430 67 L N -0.032 121.090 121.223 -0.168 0.000 2.131 67 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 67 L C 2.613 179.358 176.870 -0.208 0.000 1.092 67 L CA 1.158 55.911 54.840 -0.146 0.000 0.759 67 L CB -0.616 41.392 42.059 -0.085 0.000 0.903 67 L HN 0.298 nan 8.230 nan 0.000 0.435 68 A N 0.393 123.056 122.820 -0.261 0.000 1.855 68 A HA -0.217 4.102 4.320 -0.001 0.000 0.215 68 A C 2.373 179.473 177.584 -0.808 0.000 1.191 68 A CA 1.497 53.313 52.037 -0.368 0.000 0.613 68 A CB -0.436 18.470 19.000 -0.157 0.000 0.829 68 A HN 0.267 nan 8.150 nan 0.000 0.442 69 R N -0.331 119.749 120.500 -0.701 0.000 2.081 69 R HA -0.088 4.251 4.340 -0.001 0.000 0.235 69 R C 2.633 178.673 176.300 -0.432 0.000 1.131 69 R CA 2.083 57.767 56.100 -0.692 0.000 0.960 69 R CB -0.444 29.692 30.300 -0.274 0.000 0.856 69 R HN 0.550 nan 8.270 nan 0.000 0.436 70 K N 0.505 120.731 120.400 -0.289 0.000 1.991 70 K HA -0.129 4.191 4.320 -0.001 0.000 0.212 70 K C 1.987 178.474 176.600 -0.188 0.000 1.049 70 K CA 2.059 58.235 56.287 -0.185 0.000 0.932 70 K CB -1.326 31.095 32.500 -0.133 0.000 0.717 70 K HN 0.247 nan 8.250 nan 0.000 0.441 71 S N 0.524 116.096 115.700 -0.213 0.000 2.484 71 S HA -0.081 4.389 4.470 -0.001 0.000 0.250 71 S C 2.133 176.613 174.600 -0.200 0.000 0.995 71 S CA 0.687 58.781 58.200 -0.177 0.000 0.967 71 S CB -0.889 62.217 63.200 -0.158 0.000 0.752 71 S HN 0.876 nan 8.310 nan 0.000 0.517 72 G N 1.724 110.329 108.800 -0.325 0.000 2.771 72 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.214 72 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.214 72 G C 0.669 175.532 174.900 -0.062 0.000 1.331 72 G CA 0.920 45.889 45.100 -0.218 0.000 0.812 72 G HN 0.654 nan 8.290 nan 0.000 0.628 73 E N -0.393 119.775 120.200 -0.054 0.000 2.026 73 E HA 0.650 4.999 4.350 -0.001 0.000 0.253 73 E C 0.300 176.882 176.600 -0.031 0.000 1.056 73 E CA -0.256 56.131 56.400 -0.021 0.000 0.927 73 E CB 0.382 30.078 29.700 -0.008 0.000 1.172 73 E HN 0.365 nan 8.360 nan 0.000 0.445 74 L N 0.983 122.190 121.223 -0.028 0.000 3.094 74 L HA 0.170 4.510 4.340 -0.001 0.000 0.338 74 L C 0.076 176.938 176.870 -0.013 0.000 1.018 74 L CA 0.423 55.248 54.840 -0.025 0.000 1.520 74 L CB 1.306 43.341 42.059 -0.040 0.000 2.533 74 L HN 0.491 nan 8.230 nan 0.000 0.576 75 V N 2.709 122.616 119.914 -0.011 0.000 2.385 75 V HA 0.693 4.813 4.120 -0.001 0.000 0.277 75 V C -2.796 173.310 176.094 0.021 0.000 1.012 75 V CA -1.459 60.844 62.300 0.005 0.000 0.832 75 V CB 1.508 33.334 31.823 0.005 0.000 1.028 75 V HN -0.018 nan 8.190 nan 0.000 0.436 76 P HA 0.517 nan 4.420 nan 0.000 0.292 76 P C -0.214 177.115 177.300 0.049 0.000 1.304 76 P CA -0.592 62.532 63.100 0.040 0.000 0.848 76 P CB 1.695 33.415 31.700 0.032 0.000 1.260 77 V N -2.351 117.598 119.914 0.058 0.000 2.814 77 V HA 0.377 4.497 4.120 -0.001 0.000 0.307 77 V C 1.228 177.351 176.094 0.049 0.000 1.089 77 V CA 0.807 63.145 62.300 0.062 0.000 1.212 77 V CB -1.558 30.306 31.823 0.067 0.000 0.912 77 V HN 1.185 nan 8.190 nan 0.000 0.497 78 G N 3.592 112.422 108.800 0.050 0.000 2.496 78 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.243 78 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.243 78 G C -0.039 174.883 174.900 0.037 0.000 1.176 78 G CA -0.198 44.925 45.100 0.038 0.000 0.940 78 G HN 1.233 nan 8.290 nan 0.000 0.573 79 R N 1.775 122.291 120.500 0.028 0.000 4.642 79 R HA 0.091 4.430 4.340 -0.001 0.000 0.146 79 R C 1.541 177.859 176.300 0.030 0.000 0.272 79 R CA 2.164 58.279 56.100 0.025 0.000 0.889 79 R CB -1.947 28.364 30.300 0.018 0.000 0.978 79 R HN 2.669 nan 8.270 nan 0.000 0.252 80 G N 1.236 110.057 108.800 0.035 0.000 2.531 80 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.274 80 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.274 80 G C 0.949 175.884 174.900 0.058 0.000 1.159 80 G CA 0.894 46.019 45.100 0.042 0.000 0.969 80 G HN 1.360 nan 8.290 nan 0.000 0.554 81 G N -1.249 107.588 108.800 0.061 0.000 2.708 81 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.229 81 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.229 81 G C 1.165 176.123 174.900 0.097 0.000 1.236 81 G CA 1.489 46.632 45.100 0.071 0.000 0.749 81 G HN 1.341 nan 8.290 nan 0.000 0.515 82 E N 0.629 120.895 120.200 0.110 0.000 2.371 82 E HA 0.072 4.422 4.350 -0.001 0.000 0.194 82 E C 1.493 178.197 176.600 0.172 0.000 1.012 82 E CA 0.181 56.670 56.400 0.147 0.000 0.860 82 E CB 0.030 29.813 29.700 0.137 0.000 0.811 82 E HN 0.528 nan 8.360 nan 0.000 0.502 83 R N 1.195 121.778 120.500 0.138 0.000 3.863 83 R HA 0.218 4.557 4.340 -0.001 0.000 0.304 83 R C 0.003 176.370 176.300 0.112 0.000 1.485 83 R CA -0.188 55.994 56.100 0.136 0.000 1.355 83 R CB 0.047 30.410 30.300 0.105 0.000 1.457 83 R HN -0.160 nan 8.270 nan 0.000 0.669 84 R N 1.786 122.346 120.500 0.101 0.000 3.266 84 R HA 0.253 4.593 4.340 -0.001 0.000 0.224 84 R C -1.027 175.310 176.300 0.061 0.000 1.525 84 R CA 0.040 56.185 56.100 0.074 0.000 1.364 84 R CB 0.297 30.640 30.300 0.072 0.000 1.276 84 R HN 0.332 nan 8.270 nan 0.000 0.660 85 A N 4.416 127.305 122.820 0.115 0.000 2.381 85 A HA 0.400 4.720 4.320 -0.001 0.000 0.299 85 A C -0.942 176.759 177.584 0.194 0.000 1.049 85 A CA -0.734 51.410 52.037 0.178 0.000 0.715 85 A CB 1.147 20.366 19.000 0.366 0.000 1.222 85 A HN 0.531 nan 8.150 nan 0.000 0.428 86 L N 3.531 124.795 121.223 0.068 0.000 2.288 86 L HA 0.392 4.732 4.340 -0.001 0.000 0.283 86 L C 0.998 177.771 176.870 -0.161 0.000 1.072 86 L CA -0.424 54.414 54.840 -0.003 0.000 0.862 86 L CB 0.817 42.852 42.059 -0.040 0.000 1.245 86 L HN 0.902 nan 8.230 nan 0.000 0.432 87 G N 3.592 112.303 108.800 -0.148 0.000 2.378 87 G HA2 0.355 4.315 3.960 -0.001 0.000 0.255 87 G HA3 0.355 4.315 3.960 -0.001 0.000 0.255 87 G C -0.321 174.292 174.900 -0.478 0.000 1.270 87 G CA -0.526 44.198 45.100 -0.628 0.000 0.876 87 G HN 0.336 nan 8.290 nan 0.000 0.521 88 L N 2.067 122.867 121.223 -0.704 0.000 2.315 88 L HA 0.452 4.792 4.340 -0.001 0.000 0.283 88 L C 0.870 177.500 176.870 -0.401 0.000 1.089 88 L CA 0.082 54.475 54.840 -0.745 0.000 0.833 88 L CB 1.127 42.287 42.059 -1.498 0.000 1.170 88 L HN 0.604 nan 8.230 nan 0.000 0.442 89 A N 3.871 126.681 122.820 -0.016 0.000 2.260 89 A HA 0.354 4.674 4.320 -0.001 0.000 0.314 89 A C 0.121 177.842 177.584 0.228 0.000 1.257 89 A CA -0.640 51.445 52.037 0.080 0.000 0.871 89 A CB 0.140 19.177 19.000 0.061 0.000 1.166 89 A HN 0.661 nan 8.150 nan 0.000 0.522 90 N N 3.559 122.369 118.700 0.184 0.000 2.431 90 N HA 0.091 4.830 4.740 -0.001 0.000 0.265 90 N C -1.679 173.866 175.510 0.059 0.000 1.184 90 N CA -1.440 51.721 53.050 0.186 0.000 0.943 90 N CB 1.099 39.700 38.487 0.191 0.000 1.080 90 N HN 0.231 nan 8.380 nan 0.000 0.477 91 P HA -0.142 nan 4.420 nan 0.000 0.219 91 P C 0.865 178.166 177.300 0.001 0.000 1.153 91 P CA 1.378 64.447 63.100 -0.051 0.000 0.865 91 P CB 0.071 31.722 31.700 -0.082 0.000 0.788 92 G N -1.907 106.911 108.800 0.031 0.000 3.042 92 G HA2 0.055 4.014 3.960 -0.001 0.000 0.212 92 G HA3 0.055 4.014 3.960 -0.001 0.000 0.212 92 G C 0.704 175.632 174.900 0.047 0.000 1.166 92 G CA -0.100 45.025 45.100 0.041 0.000 0.767 92 G HN 0.246 nan 8.290 nan 0.000 0.546 93 L N 1.209 122.460 121.223 0.047 0.000 3.034 93 L HA 0.302 4.642 4.340 -0.001 0.000 0.245 93 L C 1.487 178.348 176.870 -0.015 0.000 1.295 93 L CA -0.350 54.519 54.840 0.047 0.000 1.068 93 L CB 0.163 42.291 42.059 0.115 0.000 1.426 93 L HN 0.174 nan 8.230 nan 0.000 0.531 94 G N 0.559 109.352 108.800 -0.012 0.000 2.424 94 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.294 94 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.294 94 G C 1.083 175.948 174.900 -0.057 0.000 0.939 94 G CA 0.580 45.662 45.100 -0.029 0.000 1.143 94 G HN 0.812 nan 8.290 nan 0.000 0.507 95 G N -0.812 107.954 108.800 -0.056 0.000 2.153 95 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.252 95 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.252 95 G C 1.050 175.876 174.900 -0.122 0.000 0.994 95 G CA 0.809 45.871 45.100 -0.064 0.000 0.698 95 G HN 0.722 nan 8.290 nan 0.000 0.521 96 N N 0.506 119.076 118.700 -0.216 0.000 2.409 96 N HA 0.197 4.937 4.740 -0.001 0.000 0.179 96 N C 1.806 177.071 175.510 -0.408 0.000 1.032 96 N CA 1.656 54.427 53.050 -0.464 0.000 0.898 96 N CB -0.182 37.744 38.487 -0.935 0.000 0.971 96 N HN 1.668 nan 8.380 nan 0.000 0.441 97 A N -0.355 122.373 122.820 -0.154 0.000 3.095 97 A HA -0.202 4.118 4.320 -0.001 0.000 0.248 97 A C -1.000 176.741 177.584 0.261 0.000 1.369 97 A CA 0.372 52.436 52.037 0.045 0.000 0.843 97 A CB -2.495 16.606 19.000 0.170 0.000 1.064 97 A HN 0.278 nan 8.150 nan 0.000 0.636 98 Y N -1.268 119.082 120.300 0.083 0.000 2.335 98 Y HA 0.569 5.118 4.550 -0.001 0.000 0.338 98 Y C 1.209 177.112 175.900 0.005 0.000 0.977 98 Y CA -1.146 57.001 58.100 0.078 0.000 1.114 98 Y CB 0.986 39.502 38.460 0.094 0.000 1.182 98 Y HN 0.315 nan 8.280 nan 0.000 0.463 99 I N 1.515 122.130 120.570 0.075 0.000 2.439 99 I HA -0.119 4.051 4.170 -0.001 0.000 0.251 99 I C 0.526 176.692 176.117 0.081 0.000 1.139 99 I CA 1.030 62.327 61.300 -0.006 0.000 1.438 99 I CB 0.228 38.110 38.000 -0.196 0.000 1.085 99 I HN 0.594 nan 8.210 nan 0.000 0.427 100 S N -1.800 113.950 115.700 0.084 0.000 2.638 100 S HA 0.462 4.931 4.470 -0.001 0.000 0.274 100 S C -2.248 172.399 174.600 0.078 0.000 1.157 100 S CA -1.086 57.158 58.200 0.074 0.000 0.826 100 S CB 1.365 64.568 63.200 0.006 0.000 1.139 100 S HN -0.227 nan 8.310 nan 0.000 0.474 101 P HA -0.018 nan 4.420 nan 0.000 0.221 101 P C 1.182 178.459 177.300 -0.038 0.000 1.145 101 P CA 1.763 64.890 63.100 0.044 0.000 0.795 101 P CB -0.201 31.536 31.700 0.061 0.000 0.775 102 T N -6.724 107.831 114.554 0.002 0.000 2.978 102 T HA 0.318 4.668 4.350 -0.001 0.000 0.248 102 T C 0.653 175.373 174.700 0.033 0.000 1.018 102 T CA 0.067 62.201 62.100 0.056 0.000 1.026 102 T CB -0.055 68.856 68.868 0.072 0.000 1.032 102 T HN -0.093 nan 8.240 nan 0.000 0.485 103 M N 0.480 120.093 119.600 0.022 0.000 2.535 103 M HA 0.555 5.034 4.480 -0.001 0.000 0.314 103 M C -1.832 174.563 176.300 0.158 0.000 1.153 103 M CA -0.885 54.474 55.300 0.099 0.000 0.924 103 M CB 2.765 35.423 32.600 0.097 0.000 1.710 103 M HN 0.272 nan 8.290 nan 0.000 0.451 104 W N 1.984 123.306 121.300 0.037 0.000 2.429 104 W HA 0.729 5.389 4.660 -0.001 0.000 0.314 104 W C -1.333 175.223 176.519 0.061 0.000 1.062 104 W CA -0.306 57.068 57.345 0.050 0.000 1.211 104 W CB 1.221 30.703 29.460 0.036 0.000 1.305 104 W HN 0.638 nan 8.180 nan 0.000 0.476 105 A N 4.508 127.137 122.820 -0.319 0.000 2.335 105 A HA 0.837 5.157 4.320 -0.001 0.000 0.304 105 A C -0.548 176.503 177.584 -0.888 0.000 1.118 105 A CA -0.477 51.370 52.037 -0.317 0.000 0.757 105 A CB 0.808 19.786 19.000 -0.037 0.000 1.188 105 A HN 0.881 nan 8.150 nan 0.000 0.460 106 G N 1.319 109.638 108.800 -0.802 0.000 2.612 106 G HA2 0.570 4.529 3.960 -0.001 0.000 0.298 106 G HA3 0.570 4.529 3.960 -0.001 0.000 0.298 106 G C -0.799 173.983 174.900 -0.196 0.000 1.336 106 G CA -0.612 44.040 45.100 -0.748 0.000 0.953 106 G HN 0.512 nan 8.290 nan 0.000 0.482 107 I N 0.995 121.498 120.570 -0.112 0.000 2.325 107 I HA 0.262 4.432 4.170 -0.001 0.000 0.291 107 I C 0.206 176.293 176.117 -0.051 0.000 1.019 107 I CA -0.662 60.642 61.300 0.008 0.000 1.302 107 I CB 1.005 39.069 38.000 0.107 0.000 1.401 107 I HN 0.565 nan 8.210 nan 0.000 0.485 108 Q N 6.268 125.932 119.800 -0.227 0.000 2.257 108 Q HA 0.268 4.607 4.340 -0.001 0.000 0.255 108 Q C -1.791 173.929 176.000 -0.466 0.000 0.920 108 Q CA -0.347 55.192 55.803 -0.440 0.000 0.927 108 Q CB 1.365 29.520 28.738 -0.971 0.000 1.229 108 Q HN 0.513 nan 8.270 nan 0.000 0.433 109 Y N 4.586 124.662 120.300 -0.372 0.000 2.356 109 Y HA 0.453 5.002 4.550 -0.001 0.000 0.334 109 Y C -1.714 174.032 175.900 -0.257 0.000 0.958 109 Y CA -1.170 56.772 58.100 -0.265 0.000 1.196 109 Y CB 1.018 39.391 38.460 -0.144 0.000 1.137 109 Y HN 0.721 nan 8.280 nan 0.000 0.485 110 L N 6.639 127.584 121.223 -0.463 0.000 2.265 110 L HA 0.672 5.012 4.340 -0.001 0.000 0.289 110 L C 0.395 177.143 176.870 -0.202 0.000 1.033 110 L CA 0.001 54.691 54.840 -0.250 0.000 0.814 110 L CB 0.754 42.678 42.059 -0.225 0.000 1.203 110 L HN 0.752 nan 8.230 nan 0.000 0.423 111 G N 4.763 113.559 108.800 -0.006 0.000 2.599 111 G HA2 0.394 4.354 3.960 -0.001 0.000 0.264 111 G HA3 0.394 4.354 3.960 -0.001 0.000 0.264 111 G C -2.665 172.255 174.900 0.033 0.000 1.200 111 G CA -1.298 43.833 45.100 0.052 0.000 0.896 111 G HN 0.528 nan 8.290 nan 0.000 0.536 112 P HA 0.039 nan 4.420 nan 0.000 0.262 112 P C 0.425 177.759 177.300 0.056 0.000 1.182 112 P CA 0.205 63.330 63.100 0.042 0.000 0.761 112 P CB 0.367 32.093 31.700 0.044 0.000 0.795 113 R N -0.416 120.119 120.500 0.060 0.000 3.932 113 R HA -0.219 4.120 4.340 -0.001 0.000 0.318 113 R C -0.131 176.218 176.300 0.081 0.000 1.219 113 R CA 0.950 57.091 56.100 0.067 0.000 0.889 113 R CB -1.594 28.742 30.300 0.060 0.000 1.309 113 R HN 0.660 nan 8.270 nan 0.000 0.537 114 E N 1.006 121.263 120.200 0.095 0.000 2.366 114 E HA 0.209 4.558 4.350 -0.001 0.000 0.266 114 E C 0.766 177.464 176.600 0.163 0.000 1.051 114 E CA 0.446 56.919 56.400 0.121 0.000 0.884 114 E CB 1.115 30.890 29.700 0.126 0.000 1.006 114 E HN 0.260 nan 8.360 nan 0.000 0.417 115 T N -1.983 112.657 114.554 0.143 0.000 2.896 115 T HA 0.709 5.058 4.350 -0.001 0.000 0.297 115 T C -1.068 173.632 174.700 -0.001 0.000 1.108 115 T CA -0.929 61.229 62.100 0.096 0.000 1.004 115 T CB 1.825 70.727 68.868 0.056 0.000 1.159 115 T HN 0.450 nan 8.240 nan 0.000 0.499 116 A N 2.958 125.601 122.820 -0.295 0.000 2.356 116 A HA 0.871 5.190 4.320 -0.001 0.000 0.310 116 A C -2.726 174.730 177.584 -0.212 0.000 1.075 116 A CA -1.875 49.972 52.037 -0.318 0.000 0.746 116 A CB 0.967 19.576 19.000 -0.650 0.000 1.221 116 A HN 0.773 nan 8.150 nan 0.000 0.443 117 P HA 0.219 nan 4.420 nan 0.000 0.274 117 P C -0.598 176.663 177.300 -0.064 0.000 1.256 117 P CA -0.245 62.846 63.100 -0.015 0.000 0.795 117 P CB 0.642 32.377 31.700 0.059 0.000 1.038 118 E N 0.309 120.486 120.200 -0.037 0.000 2.290 118 E HA 0.127 4.476 4.350 -0.001 0.000 0.277 118 E C 0.365 176.961 176.600 -0.005 0.000 1.035 118 E CA -0.087 56.265 56.400 -0.080 0.000 0.873 118 E CB 0.252 29.925 29.700 -0.044 0.000 1.029 118 E HN 0.593 nan 8.360 nan 0.000 0.419 119 H N 1.559 120.512 119.070 -0.195 0.000 2.927 119 H HA 0.696 5.252 4.556 -0.001 0.000 0.316 119 H C -0.563 174.310 175.328 -0.760 0.000 1.403 119 H CA -1.305 54.500 56.048 -0.405 0.000 1.288 119 H CB 2.083 31.631 29.762 -0.357 0.000 1.944 119 H HN 0.307 nan 8.280 nan 0.000 0.629 120 R N 0.821 120.836 120.500 -0.809 0.000 2.522 120 R HA 0.207 4.546 4.340 -0.001 0.000 0.273 120 R C -2.115 173.675 176.300 -0.850 0.000 1.133 120 R CA -0.520 54.948 56.100 -1.054 0.000 0.969 120 R CB 1.943 31.220 30.300 -1.705 0.000 1.235 120 R HN 1.049 nan 8.270 nan 0.000 0.433 121 H N -0.450 118.463 119.070 -0.263 0.000 3.012 121 H HA 0.246 4.801 4.556 -0.001 0.000 0.367 121 H C 0.540 176.060 175.328 0.319 0.000 1.211 121 H CA -0.476 55.618 56.048 0.076 0.000 1.139 121 H CB 1.664 31.476 29.762 0.082 0.000 1.838 121 H HN 0.477 nan 8.280 nan 0.000 0.550 122 S N 0.616 116.637 115.700 0.535 0.000 2.423 122 S HA -0.132 4.338 4.470 -0.001 0.000 0.231 122 S C 0.496 175.267 174.600 0.286 0.000 1.014 122 S CA 0.500 58.913 58.200 0.355 0.000 0.965 122 S CB -0.420 62.943 63.200 0.271 0.000 0.785 122 S HN 0.648 nan 8.310 nan 0.000 0.495 123 Q N 2.704 122.705 119.800 0.335 0.000 2.337 123 Q HA 0.350 4.690 4.340 -0.001 0.000 0.270 123 Q C -0.201 175.967 176.000 0.281 0.000 1.002 123 Q CA 0.119 56.080 55.803 0.264 0.000 0.888 123 Q CB 0.281 29.123 28.738 0.174 0.000 1.222 123 Q HN 0.396 nan 8.270 nan 0.000 0.400 124 N N 0.801 119.607 118.700 0.177 0.000 2.530 124 N HA 0.587 5.327 4.740 -0.001 0.000 0.277 124 N C -1.101 174.481 175.510 0.121 0.000 1.168 124 N CA -0.096 53.034 53.050 0.133 0.000 0.979 124 N CB 1.370 39.914 38.487 0.095 0.000 1.141 124 N HN 0.608 nan 8.380 nan 0.000 0.459 125 A N 1.412 124.282 122.820 0.083 0.000 2.549 125 A HA 0.695 5.015 4.320 -0.001 0.000 0.297 125 A C -1.206 176.389 177.584 0.018 0.000 1.061 125 A CA -0.767 51.276 52.037 0.010 0.000 0.690 125 A CB 0.955 19.972 19.000 0.028 0.000 1.287 125 A HN 0.627 nan 8.150 nan 0.000 0.402 126 F N -0.350 119.574 119.950 -0.043 0.000 2.640 126 F HA 0.923 5.449 4.527 -0.000 0.000 0.324 126 F C -0.324 175.413 175.800 -0.106 0.000 1.077 126 F CA -1.136 56.804 58.000 -0.101 0.000 0.965 126 F CB 1.693 40.622 39.000 -0.119 0.000 1.351 126 F HN 0.485 nan 8.300 nan 0.000 0.487 127 R N 1.677 122.257 120.500 0.133 0.000 2.502 127 R HA 0.371 4.711 4.340 -0.001 0.000 0.298 127 R C -2.212 174.112 176.300 0.039 0.000 1.018 127 R CA -0.577 55.464 56.100 -0.098 0.000 0.899 127 R CB 2.051 31.940 30.300 -0.685 0.000 1.181 127 R HN 0.711 nan 8.270 nan 0.000 0.444 128 F N 4.255 124.193 119.950 -0.021 0.000 2.361 128 F HA 0.325 4.851 4.527 -0.001 0.000 0.364 128 F C -0.266 175.449 175.800 -0.140 0.000 1.120 128 F CA -0.816 57.013 58.000 -0.286 0.000 1.102 128 F CB 1.068 39.590 39.000 -0.797 0.000 1.183 128 F HN 0.117 nan 8.300 nan 0.000 0.476 129 V N 7.750 127.248 119.914 -0.693 0.000 2.488 129 V HA 0.120 4.239 4.120 -0.001 0.000 0.277 129 V C 0.586 176.387 176.094 -0.488 0.000 1.046 129 V CA -0.167 61.899 62.300 -0.391 0.000 0.986 129 V CB 0.888 32.522 31.823 -0.315 0.000 0.989 129 V HN 0.811 nan 8.190 nan 0.000 0.475 130 V N 2.684 122.483 119.914 -0.192 0.000 2.627 130 V HA 0.232 4.352 4.120 -0.001 0.000 0.239 130 V C 0.506 176.529 176.094 -0.119 0.000 1.077 130 V CA 0.833 63.038 62.300 -0.159 0.000 1.103 130 V CB 0.084 31.799 31.823 -0.180 0.000 0.802 130 V HN 0.881 nan 8.190 nan 0.000 0.482 131 E N -0.271 119.910 120.200 -0.032 0.000 2.314 131 E HA 0.629 4.978 4.350 -0.001 0.000 0.272 131 E C -0.201 176.376 176.600 -0.038 0.000 0.884 131 E CA 0.366 56.751 56.400 -0.024 0.000 0.753 131 E CB 2.169 31.906 29.700 0.061 0.000 1.213 131 E HN 0.415 nan 8.360 nan 0.000 0.432 132 G N 1.751 110.514 108.800 -0.061 0.000 2.355 132 G HA2 0.211 4.171 3.960 -0.001 0.000 0.619 132 G HA3 0.211 4.171 3.960 -0.001 0.000 0.619 132 G C -1.156 173.690 174.900 -0.091 0.000 1.337 132 G CA -0.251 44.809 45.100 -0.066 0.000 0.993 132 G HN 0.704 nan 8.290 nan 0.000 0.599 133 E N -1.868 118.278 120.200 -0.090 0.000 2.442 133 E HA 0.557 4.906 4.350 -0.001 0.000 0.278 133 E C 0.623 177.150 176.600 -0.122 0.000 1.082 133 E CA -0.448 55.871 56.400 -0.136 0.000 0.861 133 E CB 1.028 30.654 29.700 -0.125 0.000 1.462 133 E HN 2.525 nan 8.360 nan 0.000 0.458 134 G N -0.263 108.409 108.800 -0.212 0.000 2.273 134 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.280 134 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.280 134 G C -0.323 174.586 174.900 0.015 0.000 1.047 134 G CA 0.465 45.502 45.100 -0.105 0.000 0.869 134 G HN 0.479 nan 8.290 nan 0.000 0.502 135 V N 0.460 120.244 119.914 -0.216 0.000 2.604 135 V HA 0.692 4.812 4.120 -0.001 0.000 0.305 135 V C 0.021 176.015 176.094 -0.166 0.000 1.043 135 V CA -1.067 61.235 62.300 0.003 0.000 0.888 135 V CB 1.836 33.665 31.823 0.010 0.000 0.995 135 V HN 0.332 nan 8.190 nan 0.000 0.429 136 W N 2.031 123.300 121.300 -0.051 0.000 2.532 136 W HA 0.460 5.119 4.660 -0.001 0.000 0.321 136 W C -0.337 176.162 176.519 -0.034 0.000 1.037 136 W CA -0.521 56.787 57.345 -0.062 0.000 1.220 136 W CB 2.428 31.846 29.460 -0.069 0.000 1.361 136 W HN 0.403 nan 8.180 nan 0.000 0.468 137 T N 2.570 117.174 114.554 0.083 0.000 2.767 137 T HA 0.280 4.630 4.350 -0.001 0.000 0.288 137 T C -0.116 174.651 174.700 0.111 0.000 0.963 137 T CA -0.435 61.709 62.100 0.073 0.000 1.019 137 T CB 1.656 70.474 68.868 -0.084 0.000 0.923 137 T HN 0.028 nan 8.240 nan 0.000 0.468 138 V N 4.856 124.843 119.914 0.122 0.000 2.364 138 V HA 0.295 4.415 4.120 -0.001 0.000 0.272 138 V C 0.001 176.158 176.094 0.105 0.000 1.036 138 V CA -0.640 61.726 62.300 0.110 0.000 0.880 138 V CB 1.161 33.036 31.823 0.086 0.000 0.991 138 V HN 0.736 nan 8.190 nan 0.000 0.460 139 V N 4.321 124.293 119.914 0.097 0.000 2.347 139 V HA 0.372 4.491 4.120 -0.001 0.000 0.280 139 V C 0.633 176.783 176.094 0.095 0.000 1.021 139 V CA -0.853 61.506 62.300 0.097 0.000 0.847 139 V CB 0.475 32.339 31.823 0.069 0.000 0.990 139 V HN 1.026 nan 8.190 nan 0.000 0.444 140 N N 3.994 122.764 118.700 0.116 0.000 2.699 140 N HA -0.250 4.490 4.740 -0.001 0.000 0.256 140 N C 1.225 176.778 175.510 0.071 0.000 0.993 140 N CA 0.538 53.657 53.050 0.115 0.000 0.759 140 N CB -0.753 37.798 38.487 0.106 0.000 0.906 140 N HN 1.405 nan 8.380 nan 0.000 0.541 141 G N -0.431 108.399 108.800 0.051 0.000 2.205 141 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 141 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 141 G C -0.217 174.715 174.900 0.053 0.000 0.980 141 G CA 0.451 45.571 45.100 0.033 0.000 0.632 141 G HN 0.595 nan 8.290 nan 0.000 0.533 142 D N 1.773 122.217 120.400 0.073 0.000 2.373 142 D HA 0.546 5.186 4.640 -0.001 0.000 0.227 142 D C -2.341 174.025 176.300 0.112 0.000 1.091 142 D CA -2.075 51.978 54.000 0.088 0.000 0.840 142 D CB 1.454 42.310 40.800 0.094 0.000 1.060 142 D HN 0.112 nan 8.370 nan 0.000 0.502 143 P HA 0.092 nan 4.420 nan 0.000 0.276 143 P C -0.756 176.738 177.300 0.323 0.000 1.264 143 P CA -0.371 62.857 63.100 0.213 0.000 0.769 143 P CB 0.871 32.645 31.700 0.123 0.000 0.840 144 V N 5.162 125.244 119.914 0.279 0.000 2.313 144 V HA 0.314 4.433 4.120 -0.001 0.000 0.278 144 V C 0.899 176.888 176.094 -0.175 0.000 1.017 144 V CA -0.836 61.522 62.300 0.097 0.000 0.823 144 V CB 0.845 32.681 31.823 0.022 0.000 1.010 144 V HN 0.493 nan 8.190 nan 0.000 0.443 145 R N 5.160 125.392 120.500 -0.448 0.000 2.679 145 R HA 0.364 4.703 4.340 -0.001 0.000 0.268 145 R C -0.548 175.359 176.300 -0.655 0.000 1.044 145 R CA 0.067 55.497 56.100 -1.117 0.000 1.105 145 R CB 0.457 30.174 30.300 -0.971 0.000 0.989 145 R HN 0.671 nan 8.270 nan 0.000 0.447 146 M N 2.443 121.632 119.600 -0.685 0.000 2.311 146 M HA 0.309 4.789 4.480 -0.001 0.000 0.325 146 M C -0.882 175.207 176.300 -0.353 0.000 1.061 146 M CA -0.529 54.516 55.300 -0.426 0.000 0.957 146 M CB 2.411 34.788 32.600 -0.371 0.000 1.646 146 M HN 0.562 nan 8.290 nan 0.000 0.434 147 S N 0.998 116.538 115.700 -0.266 0.000 2.599 147 S HA 0.521 4.991 4.470 -0.001 0.000 0.287 147 S C -0.731 173.740 174.600 -0.215 0.000 1.105 147 S CA -0.958 57.117 58.200 -0.208 0.000 0.899 147 S CB 2.409 65.516 63.200 -0.155 0.000 1.100 147 S HN 0.755 nan 8.310 nan 0.000 0.482 148 R N 0.424 120.810 120.500 -0.190 0.000 2.537 148 R HA 0.289 4.629 4.340 -0.001 0.000 0.281 148 R C 1.175 177.305 176.300 -0.283 0.000 0.988 148 R CA 1.701 57.668 56.100 -0.221 0.000 1.077 148 R CB -0.576 29.621 30.300 -0.172 0.000 0.932 148 R HN 1.049 nan 8.270 nan 0.000 0.409 149 G N 2.919 111.423 108.800 -0.495 0.000 2.234 149 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 149 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 149 G C -0.484 174.202 174.900 -0.356 0.000 0.997 149 G CA 0.200 44.887 45.100 -0.689 0.000 0.623 149 G HN 0.691 nan 8.290 nan 0.000 0.514 150 D N 0.331 120.546 120.400 -0.309 0.000 2.341 150 D HA 0.501 5.141 4.640 -0.001 0.000 0.245 150 D C 0.222 176.417 176.300 -0.176 0.000 1.106 150 D CA -0.132 53.804 54.000 -0.107 0.000 0.905 150 D CB 1.797 42.536 40.800 -0.101 0.000 1.202 150 D HN 0.305 nan 8.370 nan 0.000 0.426 151 L N 2.677 123.926 121.223 0.043 0.000 2.287 151 L HA 0.374 4.713 4.340 -0.001 0.000 0.287 151 L C -1.480 175.394 176.870 0.007 0.000 1.022 151 L CA -0.500 54.331 54.840 -0.016 0.000 0.814 151 L CB 0.829 42.700 42.059 -0.313 0.000 1.217 151 L HN 0.189 nan 8.230 nan 0.000 0.420 152 L N 5.569 126.768 121.223 -0.040 0.000 2.325 152 L HA 0.565 4.904 4.340 -0.001 0.000 0.278 152 L C -0.629 176.250 176.870 0.016 0.000 1.023 152 L CA -0.140 54.682 54.840 -0.030 0.000 0.811 152 L CB 1.801 43.766 42.059 -0.155 0.000 1.249 152 L HN 0.503 nan 8.230 nan 0.000 0.431 153 L N 1.868 123.117 121.223 0.044 0.000 2.307 153 L HA 0.606 4.945 4.340 -0.001 0.000 0.284 153 L C -0.150 176.708 176.870 -0.020 0.000 1.023 153 L CA -0.544 54.323 54.840 0.046 0.000 0.810 153 L CB 1.695 43.805 42.059 0.085 0.000 1.231 153 L HN 0.650 nan 8.230 nan 0.000 0.423 154 T N -0.071 114.442 114.554 -0.069 0.000 3.250 154 T HA 0.433 4.782 4.350 -0.001 0.000 0.391 154 T C -2.585 172.060 174.700 -0.090 0.000 1.502 154 T CA -2.071 59.941 62.100 -0.146 0.000 1.320 154 T CB 0.626 69.236 68.868 -0.429 0.000 1.102 154 T HN 0.159 nan 8.240 nan 0.000 0.610 155 P HA 0.281 nan 4.420 nan 0.000 0.269 155 P C 1.022 178.336 177.300 0.024 0.000 1.209 155 P CA 0.111 63.221 63.100 0.016 0.000 0.776 155 P CB 0.285 31.997 31.700 0.020 0.000 0.876 156 G N 2.590 111.433 108.800 0.072 0.000 2.168 156 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.240 156 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.240 156 G C 0.361 175.367 174.900 0.176 0.000 1.080 156 G CA -0.094 45.084 45.100 0.130 0.000 0.877 156 G HN 0.801 nan 8.290 nan 0.000 0.446 157 W N 0.421 121.631 121.300 -0.149 0.000 2.869 157 W HA -0.279 4.380 4.660 -0.001 0.000 0.285 157 W C -0.061 176.301 176.519 -0.262 0.000 1.098 157 W CA 0.026 57.234 57.345 -0.228 0.000 0.571 157 W CB -1.494 27.861 29.460 -0.175 0.000 2.131 157 W HN 0.635 nan 8.180 nan 0.000 1.367 158 C N 1.492 120.664 119.300 -0.212 0.000 2.330 158 C HA 0.437 4.896 4.460 -0.001 0.000 0.344 158 C C 0.687 175.532 174.990 -0.241 0.000 1.273 158 C CA -0.507 58.391 59.018 -0.201 0.000 1.879 158 C CB -0.330 27.393 27.740 -0.029 0.000 2.376 158 C HN 0.086 nan 8.230 nan 0.000 0.534 159 F N 4.767 124.593 119.950 -0.207 0.000 2.608 159 F HA 0.195 4.722 4.527 -0.001 0.000 0.380 159 F C 1.474 177.212 175.800 -0.102 0.000 1.083 159 F CA 0.942 58.796 58.000 -0.243 0.000 1.266 159 F CB 0.350 39.217 39.000 -0.222 0.000 1.076 159 F HN 0.658 nan 8.300 nan 0.000 0.574 160 H N 1.394 120.457 119.070 -0.011 0.000 2.865 160 H HA 0.796 5.352 4.556 -0.001 0.000 0.362 160 H C -0.567 174.695 175.328 -0.110 0.000 1.114 160 H CA -1.165 54.857 56.048 -0.043 0.000 1.208 160 H CB 1.284 31.012 29.762 -0.056 0.000 1.727 160 H HN 0.719 nan 8.280 nan 0.000 0.534 161 G N 1.316 110.115 108.800 -0.003 0.000 2.788 161 G HA2 0.484 4.443 3.960 -0.001 0.000 0.293 161 G HA3 0.484 4.443 3.960 -0.001 0.000 0.293 161 G C -1.551 173.355 174.900 0.010 0.000 1.392 161 G CA -0.934 44.104 45.100 -0.104 0.000 0.810 161 G HN 1.041 nan 8.290 nan 0.000 0.508 162 H N -1.715 117.396 119.070 0.068 0.000 3.012 162 H HA 0.691 5.247 4.556 -0.001 0.000 0.367 162 H C -1.150 174.196 175.328 0.030 0.000 1.211 162 H CA -1.181 54.910 56.048 0.071 0.000 1.139 162 H CB 2.058 31.898 29.762 0.130 0.000 1.838 162 H HN 0.767 nan 8.280 nan 0.000 0.550 163 M N 2.130 121.808 119.600 0.130 0.000 2.327 163 M HA 0.361 4.840 4.480 -0.001 0.000 0.298 163 M C -1.724 174.658 176.300 0.137 0.000 1.065 163 M CA -0.619 54.692 55.300 0.017 0.000 0.916 163 M CB 2.031 34.390 32.600 -0.401 0.000 1.630 163 M HN 0.554 nan 8.290 nan 0.000 0.442 164 N N 2.496 121.286 118.700 0.150 0.000 2.430 164 N HA 0.172 4.912 4.740 -0.001 0.000 0.265 164 N C -1.008 174.566 175.510 0.105 0.000 1.100 164 N CA 0.325 53.459 53.050 0.139 0.000 0.961 164 N CB 0.780 39.334 38.487 0.112 0.000 1.075 164 N HN 0.715 nan 8.380 nan 0.000 0.478 165 D N 1.487 121.980 120.400 0.155 0.000 2.587 165 D HA 0.247 4.887 4.640 -0.001 0.000 0.233 165 D C -0.829 175.533 176.300 0.104 0.000 1.213 165 D CA 0.267 54.336 54.000 0.116 0.000 0.827 165 D CB 0.359 41.256 40.800 0.162 0.000 1.006 165 D HN 0.334 nan 8.370 nan 0.000 0.490 166 T N -1.215 113.389 114.554 0.083 0.000 2.894 166 T HA 0.128 4.477 4.350 -0.001 0.000 0.309 166 T C -0.199 174.529 174.700 0.046 0.000 1.208 166 T CA -0.682 61.456 62.100 0.064 0.000 1.016 166 T CB 1.779 70.684 68.868 0.062 0.000 1.192 166 T HN -0.158 nan 8.240 nan 0.000 0.491 167 D N 1.093 121.515 120.400 0.037 0.000 2.340 167 D HA 0.056 4.695 4.640 -0.001 0.000 0.220 167 D C 0.191 176.506 176.300 0.025 0.000 1.039 167 D CA 0.370 54.390 54.000 0.032 0.000 0.866 167 D CB 0.680 41.499 40.800 0.031 0.000 0.913 167 D HN 0.165 nan 8.370 nan 0.000 0.523 168 Q N 1.160 120.969 119.800 0.015 0.000 2.235 168 Q HA 0.287 4.627 4.340 -0.001 0.000 0.256 168 Q C -2.363 173.617 176.000 -0.033 0.000 0.951 168 Q CA -2.039 53.763 55.803 -0.002 0.000 0.890 168 Q CB 1.801 30.535 28.738 -0.006 0.000 1.279 168 Q HN -0.036 nan 8.270 nan 0.000 0.444 169 P HA 0.143 nan 4.420 nan 0.000 0.272 169 P C -1.079 176.085 177.300 -0.227 0.000 1.240 169 P CA -0.253 62.718 63.100 -0.214 0.000 0.791 169 P CB 0.746 32.246 31.700 -0.333 0.000 0.978 170 M N 0.734 120.144 119.600 -0.317 0.000 2.457 170 M HA 0.658 5.137 4.480 -0.001 0.000 0.300 170 M C -1.707 174.408 176.300 -0.310 0.000 1.141 170 M CA -0.591 54.587 55.300 -0.202 0.000 0.901 170 M CB 2.271 34.851 32.600 -0.034 0.000 1.687 170 M HN 0.419 nan 8.290 nan 0.000 0.449 171 A N 3.545 126.289 122.820 -0.127 0.000 2.356 171 A HA 0.863 5.182 4.320 -0.001 0.000 0.310 171 A C -2.035 175.616 177.584 0.111 0.000 1.075 171 A CA -0.455 51.546 52.037 -0.059 0.000 0.746 171 A CB 0.643 19.738 19.000 0.158 0.000 1.221 171 A HN 0.974 nan 8.150 nan 0.000 0.443 172 W N 1.896 123.203 121.300 0.012 0.000 3.031 172 W HA 0.743 5.402 4.660 -0.001 0.000 0.337 172 W C -1.519 175.029 176.519 0.049 0.000 1.187 172 W CA -1.467 55.865 57.345 -0.022 0.000 1.166 172 W CB 0.312 29.717 29.460 -0.091 0.000 1.437 172 W HN 0.555 nan 8.180 nan 0.000 0.551 173 I N 3.140 123.958 120.570 0.413 0.000 2.371 173 I HA 0.133 4.303 4.170 -0.001 0.000 0.290 173 I C -0.167 176.153 176.117 0.337 0.000 1.028 173 I CA -0.288 61.197 61.300 0.308 0.000 1.345 173 I CB 0.468 38.637 38.000 0.282 0.000 1.407 173 I HN 0.288 nan 8.210 nan 0.000 0.501 174 D N 5.641 126.184 120.400 0.238 0.000 2.313 174 D HA 0.390 5.030 4.640 -0.001 0.000 0.239 174 D C 0.099 176.310 176.300 -0.149 0.000 1.142 174 D CA 0.142 54.254 54.000 0.187 0.000 0.847 174 D CB 1.895 43.033 40.800 0.564 0.000 1.082 174 D HN 0.758 nan 8.370 nan 0.000 0.480 175 G N 2.116 110.369 108.800 -0.911 0.000 2.416 175 G HA2 0.620 4.580 3.960 -0.001 0.000 0.324 175 G HA3 0.620 4.580 3.960 -0.001 0.000 0.324 175 G C -0.889 173.723 174.900 -0.480 0.000 1.194 175 G CA -0.313 44.170 45.100 -1.029 0.000 0.922 175 G HN 0.343 nan 8.290 nan 0.000 0.467 176 L N 0.917 122.148 121.223 0.014 0.000 2.469 176 L HA 0.392 4.732 4.340 -0.001 0.000 0.256 176 L C -0.594 176.367 176.870 0.152 0.000 1.006 176 L CA -0.858 54.033 54.840 0.085 0.000 0.832 176 L CB 2.626 44.724 42.059 0.066 0.000 1.421 176 L HN 0.585 nan 8.230 nan 0.000 0.410 177 D N 0.252 120.727 120.400 0.124 0.000 2.706 177 D HA 0.136 4.776 4.640 -0.001 0.000 0.236 177 D C 1.275 177.652 176.300 0.128 0.000 1.231 177 D CA -0.060 54.019 54.000 0.133 0.000 0.828 177 D CB -0.083 40.782 40.800 0.108 0.000 1.015 177 D HN 0.451 nan 8.370 nan 0.000 0.484 178 I N 0.475 121.092 120.570 0.077 0.000 2.118 178 I HA -0.222 3.947 4.170 -0.001 0.000 0.241 178 I C -0.547 175.536 176.117 -0.057 0.000 1.070 178 I CA 1.383 62.685 61.300 0.003 0.000 1.327 178 I CB -0.947 37.012 38.000 -0.069 0.000 1.034 178 I HN 0.086 nan 8.210 nan 0.000 0.405 179 P HA -0.198 nan 4.420 nan 0.000 0.216 179 P C 1.697 178.828 177.300 -0.281 0.000 1.153 179 P CA 1.409 64.113 63.100 -0.659 0.000 0.848 179 P CB -0.119 30.928 31.700 -1.088 0.000 0.787 180 F N 0.627 120.460 119.950 -0.195 0.000 2.069 180 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 180 F C 2.153 177.917 175.800 -0.060 0.000 1.113 180 F CA 1.796 59.739 58.000 -0.095 0.000 1.214 180 F CB -0.689 38.287 39.000 -0.041 0.000 0.978 180 F HN -0.165 nan 8.300 nan 0.000 0.474 181 S N -0.268 115.490 115.700 0.096 0.000 2.382 181 S HA -0.271 4.198 4.470 -0.001 0.000 0.228 181 S C 1.895 176.451 174.600 -0.074 0.000 1.027 181 S CA 1.364 59.587 58.200 0.038 0.000 0.991 181 S CB -0.488 62.785 63.200 0.120 0.000 0.823 181 S HN 0.668 nan 8.310 nan 0.000 0.469 182 Q N 1.138 120.893 119.800 -0.074 0.000 2.049 182 Q HA -0.076 4.263 4.340 -0.001 0.000 0.198 182 Q C 1.997 177.943 176.000 -0.089 0.000 0.971 182 Q CA 1.203 56.973 55.803 -0.055 0.000 0.833 182 Q CB -0.235 28.516 28.738 0.023 0.000 0.896 182 Q HN 0.525 nan 8.270 nan 0.000 0.434 183 Q N -0.701 119.021 119.800 -0.131 0.000 2.224 183 Q HA -0.054 4.285 4.340 -0.001 0.000 0.203 183 Q C 1.415 177.285 176.000 -0.217 0.000 0.970 183 Q CA 1.018 56.738 55.803 -0.138 0.000 0.865 183 Q CB 0.207 28.867 28.738 -0.130 0.000 0.922 183 Q HN 0.442 nan 8.270 nan 0.000 0.445 184 M N 0.185 119.573 119.600 -0.353 0.000 2.428 184 M HA 0.054 4.534 4.480 -0.001 0.000 0.239 184 M C -0.636 175.541 176.300 -0.206 0.000 1.121 184 M CA 0.318 55.393 55.300 -0.375 0.000 1.019 184 M CB -0.104 32.045 32.600 -0.752 0.000 1.485 184 M HN 0.007 nan 8.290 nan 0.000 0.484 185 D N 0.429 120.738 120.400 -0.152 0.000 2.828 185 D HA -0.124 4.516 4.640 -0.001 0.000 0.241 185 D C 0.584 176.843 176.300 -0.068 0.000 1.142 185 D CA 0.238 54.176 54.000 -0.103 0.000 0.755 185 D CB -1.254 39.493 40.800 -0.090 0.000 1.014 185 D HN 0.165 nan 8.370 nan 0.000 0.420 186 V N -0.356 119.536 119.914 -0.036 0.000 3.411 186 V HA 0.216 4.335 4.120 -0.001 0.000 0.287 186 V C 1.384 177.565 176.094 0.145 0.000 1.543 186 V CA 0.669 63.012 62.300 0.073 0.000 1.028 186 V CB 1.267 33.146 31.823 0.093 0.000 0.840 186 V HN 0.440 nan 8.190 nan 0.000 0.435 187 G N -0.042 108.770 108.800 0.019 0.000 2.380 187 G HA2 0.492 4.451 3.960 -0.001 0.000 0.262 187 G HA3 0.492 4.451 3.960 -0.001 0.000 0.262 187 G C -1.080 173.759 174.900 -0.103 0.000 1.243 187 G CA 0.189 45.317 45.100 0.048 0.000 0.865 187 G HN 0.180 nan 8.290 nan 0.000 0.513 188 F N 0.439 120.453 119.950 0.107 0.000 2.588 188 F HA 0.688 5.214 4.527 -0.001 0.000 0.314 188 F C -0.537 175.471 175.800 0.347 0.000 1.069 188 F CA -0.853 57.246 58.000 0.164 0.000 0.931 188 F CB 2.847 41.869 39.000 0.037 0.000 1.260 188 F HN 0.449 nan 8.300 nan 0.000 0.465 189 F N 1.527 121.661 119.950 0.308 0.000 2.588 189 F HA 0.486 5.013 4.527 -0.001 0.000 0.314 189 F C -1.350 174.460 175.800 0.017 0.000 1.134 189 F CA -0.351 57.707 58.000 0.096 0.000 0.961 189 F CB 1.606 40.529 39.000 -0.129 0.000 1.239 189 F HN 0.478 nan 8.300 nan 0.000 0.448 190 E N 4.808 124.705 120.200 -0.505 0.000 2.266 190 E HA 0.378 4.727 4.350 -0.001 0.000 0.268 190 E C -1.482 174.793 176.600 -0.541 0.000 0.879 190 E CA -0.864 55.354 56.400 -0.303 0.000 0.762 190 E CB 2.458 32.037 29.700 -0.201 0.000 1.199 190 E HN 0.377 nan 8.360 nan 0.000 0.422 191 F N 0.444 120.446 119.950 0.086 0.000 2.371 191 F HA 0.481 5.008 4.527 -0.001 0.000 0.329 191 F C 1.144 177.023 175.800 0.132 0.000 1.107 191 F CA -0.221 57.866 58.000 0.145 0.000 1.137 191 F CB 1.116 40.244 39.000 0.214 0.000 1.214 191 F HN 0.387 nan 8.300 nan 0.000 0.536 192 G N -0.075 108.899 108.800 0.290 0.000 2.461 192 G HA2 0.520 4.479 3.960 -0.001 0.000 0.323 192 G HA3 0.520 4.479 3.960 -0.001 0.000 0.323 192 G C -1.324 173.569 174.900 -0.012 0.000 1.229 192 G CA -0.590 44.547 45.100 0.062 0.000 0.941 192 G HN 0.532 nan 8.290 nan 0.000 0.477 193 S N 2.035 117.683 115.700 -0.087 0.000 2.423 193 S HA 0.390 4.859 4.470 -0.001 0.000 0.213 193 S C -0.552 173.973 174.600 -0.126 0.000 1.131 193 S CA -0.497 57.651 58.200 -0.087 0.000 1.155 193 S CB 0.304 63.483 63.200 -0.034 0.000 1.202 193 S HN 0.823 nan 8.310 nan 0.000 0.441 198 D N 1.130 121.559 120.400 0.049 0.000 2.525 198 D HA 0.156 4.796 4.640 -0.001 0.000 0.235 198 D C 0.269 176.694 176.300 0.208 0.000 1.137 198 D CA 0.774 54.820 54.000 0.076 0.000 0.868 198 D CB 0.429 41.248 40.800 0.032 0.000 1.180 198 D HN 0.499 nan 8.370 nan 0.000 0.465 199 Y N 2.015 122.264 120.300 -0.085 0.000 2.467 199 Y HA 0.392 4.941 4.550 -0.001 0.000 0.250 199 Y C 0.974 176.752 175.900 -0.204 0.000 1.155 199 Y CA -0.224 57.806 58.100 -0.117 0.000 1.249 199 Y CB -0.386 38.016 38.460 -0.096 0.000 1.146 199 Y HN 0.479 nan 8.280 nan 0.000 0.524 200 A N 0.504 123.285 122.820 -0.064 0.000 2.547 200 A HA 0.258 4.578 4.320 -0.001 0.000 0.233 200 A C 0.862 178.188 177.584 -0.430 0.000 1.067 200 A CA 0.905 52.835 52.037 -0.177 0.000 0.763 200 A CB -0.178 18.765 19.000 -0.095 0.000 1.007 200 A HN 0.378 nan 8.150 nan 0.000 0.506 201 T N 0.213 114.458 114.554 -0.515 0.000 3.438 201 T HA 0.535 4.884 4.350 -0.001 0.000 0.244 201 T C -2.674 171.828 174.700 -0.330 0.000 1.269 201 T CA -1.297 60.202 62.100 -1.002 0.000 1.371 201 T CB -0.071 68.040 68.868 -1.262 0.000 1.002 201 T HN 0.429 nan 8.240 nan 0.000 0.637 202 P HA 0.328 nan 4.420 nan 0.000 0.274 202 P C 0.920 178.398 177.300 0.297 0.000 1.231 202 P CA -0.576 62.608 63.100 0.141 0.000 0.790 202 P CB 0.745 32.529 31.700 0.140 0.000 0.951 203 N N 0.263 119.035 118.700 0.121 0.000 2.223 203 N HA -0.051 4.689 4.740 -0.001 0.000 0.185 203 N C -0.260 174.937 175.510 -0.522 0.000 1.016 203 N CA 1.252 54.208 53.050 -0.158 0.000 0.863 203 N CB -0.085 38.286 38.487 -0.192 0.000 0.983 203 N HN 0.352 nan 8.380 nan 0.000 0.429 204 F N -0.189 119.847 119.950 0.144 0.000 2.557 204 F HA 0.207 4.733 4.527 -0.000 0.000 0.316 204 F C 0.314 176.184 175.800 0.116 0.000 1.141 204 F CA -1.335 56.728 58.000 0.107 0.000 0.922 204 F CB 1.285 40.336 39.000 0.086 0.000 1.194 204 F HN -0.234 nan 8.300 nan 0.000 0.443 205 S N 2.151 118.014 115.700 0.273 0.000 2.554 205 S HA -0.010 4.460 4.470 -0.001 0.000 0.290 205 S C 1.510 176.217 174.600 0.180 0.000 1.309 205 S CA -0.042 58.278 58.200 0.200 0.000 1.047 205 S CB 0.772 64.066 63.200 0.157 0.000 0.828 205 S HN 0.854 nan 8.310 nan 0.000 0.509 206 R N 3.075 123.662 120.500 0.145 0.000 2.105 206 R HA 0.022 4.362 4.340 -0.001 0.000 0.239 206 R C 2.213 178.594 176.300 0.134 0.000 1.135 206 R CA 2.048 58.222 56.100 0.123 0.000 0.967 206 R CB -1.529 28.830 30.300 0.098 0.000 0.861 206 R HN 0.747 nan 8.270 nan 0.000 0.442 207 G N 0.902 109.796 108.800 0.157 0.000 2.631 207 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.219 207 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.219 207 G C 1.215 176.236 174.900 0.202 0.000 1.214 207 G CA 1.256 46.487 45.100 0.219 0.000 0.785 207 G HN 0.584 nan 8.290 nan 0.000 0.596 208 E N 0.078 120.351 120.200 0.122 0.000 2.118 208 E HA -0.105 4.244 4.350 -0.001 0.000 0.195 208 E C 2.731 179.317 176.600 -0.024 0.000 0.992 208 E CA 0.732 57.153 56.400 0.036 0.000 0.804 208 E CB -0.139 29.604 29.700 0.072 0.000 0.741 208 E HN 0.372 nan 8.360 nan 0.000 0.458 209 R N 0.275 120.806 120.500 0.053 0.000 2.148 209 R HA -0.041 4.299 4.340 -0.001 0.000 0.227 209 R C 2.288 178.659 176.300 0.118 0.000 1.103 209 R CA 0.722 56.867 56.100 0.075 0.000 0.983 209 R CB -0.085 30.281 30.300 0.109 0.000 0.874 209 R HN 0.195 nan 8.270 nan 0.000 0.451 210 L N -1.808 119.433 121.223 0.030 0.000 2.162 210 L HA -0.054 4.286 4.340 -0.001 0.000 0.205 210 L C 1.249 177.971 176.870 -0.246 0.000 1.086 210 L CA 1.049 55.800 54.840 -0.149 0.000 0.778 210 L CB 0.004 41.890 42.059 -0.287 0.000 0.928 210 L HN 0.289 nan 8.230 nan 0.000 0.446 211 W N -2.899 118.382 121.300 -0.031 0.000 3.103 211 W HA 0.146 4.805 4.660 -0.001 0.000 0.325 211 W C 1.040 177.430 176.519 -0.215 0.000 1.170 211 W CA -0.404 56.890 57.345 -0.086 0.000 1.712 211 W CB 0.313 29.712 29.460 -0.102 0.000 1.068 211 W HN -0.041 nan 8.180 nan 0.000 0.592 212 C N 1.600 120.751 119.300 -0.248 0.000 2.447 212 C HA 0.276 4.736 4.460 -0.001 0.000 0.402 212 C C -0.249 174.257 174.990 -0.806 0.000 1.356 212 C CA -0.133 58.577 59.018 -0.513 0.000 1.712 212 C CB -2.078 25.335 27.740 -0.546 0.000 2.540 212 C HN 0.090 nan 8.230 nan 0.000 0.593 213 H N 1.652 120.622 119.070 -0.167 0.000 2.860 213 H HA 0.273 4.829 4.556 -0.001 0.000 0.312 213 H C -2.472 172.783 175.328 -0.122 0.000 0.995 213 H CA -1.564 54.391 56.048 -0.155 0.000 1.311 213 H CB 1.296 30.980 29.762 -0.130 0.000 1.478 213 H HN 0.222 nan 8.280 nan 0.000 0.508 214 P HA 0.015 nan 4.420 nan 0.000 0.265 214 P C 1.081 178.372 177.300 -0.015 0.000 1.193 214 P CA 0.720 63.784 63.100 -0.060 0.000 0.765 214 P CB 0.788 32.438 31.700 -0.082 0.000 0.823 215 G N 2.075 110.874 108.800 -0.003 0.000 2.189 215 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.267 215 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.267 215 G C -0.078 174.829 174.900 0.011 0.000 0.975 215 G CA 0.071 45.175 45.100 0.007 0.000 0.644 215 G HN 0.505 nan 8.290 nan 0.000 0.537 216 L N -0.535 120.698 121.223 0.017 0.000 2.334 216 L HA 0.774 5.113 4.340 -0.001 0.000 0.273 216 L C 0.529 177.388 176.870 -0.018 0.000 1.013 216 L CA -1.026 53.808 54.840 -0.011 0.000 0.816 216 L CB 2.047 44.087 42.059 -0.032 0.000 1.278 216 L HN 0.133 nan 8.230 nan 0.000 0.431 217 R N 3.014 123.469 120.500 -0.074 0.000 2.538 217 R HA 0.456 4.795 4.340 -0.001 0.000 0.292 217 R C -2.611 173.534 176.300 -0.258 0.000 1.008 217 R CA -1.428 54.580 56.100 -0.154 0.000 0.896 217 R CB 2.463 32.776 30.300 0.022 0.000 1.187 217 R HN 0.372 nan 8.270 nan 0.000 0.440 218 P HA 0.073 nan 4.420 nan 0.000 0.271 218 P C 0.773 177.946 177.300 -0.212 0.000 1.216 218 P CA -0.292 62.598 63.100 -0.350 0.000 0.776 218 P CB 0.892 32.300 31.700 -0.486 0.000 0.881 219 L N 1.532 122.674 121.223 -0.135 0.000 2.362 219 L HA -0.119 4.221 4.340 -0.001 0.000 0.219 219 L C 2.228 179.065 176.870 -0.055 0.000 1.134 219 L CA 1.680 56.475 54.840 -0.076 0.000 0.807 219 L CB -0.831 41.193 42.059 -0.058 0.000 0.927 219 L HN 0.493 nan 8.230 nan 0.000 0.447 220 S N -0.671 114.984 115.700 -0.076 0.000 2.561 220 S HA -0.004 4.465 4.470 -0.001 0.000 0.225 220 S C 1.373 175.975 174.600 0.004 0.000 0.977 220 S CA 0.556 58.734 58.200 -0.037 0.000 0.926 220 S CB -0.036 63.137 63.200 -0.045 0.000 0.769 220 S HN 0.381 nan 8.310 nan 0.000 0.533 221 G N 0.588 109.384 108.800 -0.008 0.000 4.331 221 G HA2 0.472 4.432 3.960 -0.001 0.000 0.299 221 G HA3 0.472 4.432 3.960 -0.001 0.000 0.299 221 G C 0.579 175.607 174.900 0.213 0.000 1.158 221 G CA -0.390 44.805 45.100 0.158 0.000 0.916 221 G HN 0.424 nan 8.290 nan 0.000 0.553 222 L N -0.502 120.788 121.223 0.110 0.000 2.275 222 L HA 0.038 4.377 4.340 -0.001 0.000 0.215 222 L C 1.682 178.618 176.870 0.111 0.000 1.119 222 L CA 0.436 55.336 54.840 0.101 0.000 0.790 222 L CB 0.001 42.091 42.059 0.052 0.000 0.919 222 L HN 0.307 nan 8.230 nan 0.000 0.443 223 Q N 1.480 121.347 119.800 0.111 0.000 2.313 223 Q HA 0.091 4.430 4.340 -0.001 0.000 0.266 223 Q C -0.332 175.721 176.000 0.088 0.000 0.989 223 Q CA 0.347 56.200 55.803 0.084 0.000 0.890 223 Q CB 0.407 29.186 28.738 0.070 0.000 1.200 223 Q HN 0.212 nan 8.270 nan 0.000 0.396 224 N N 1.636 120.366 118.700 0.050 0.000 2.508 224 N HA 0.257 4.997 4.740 -0.001 0.000 0.264 224 N C -0.746 174.761 175.510 -0.005 0.000 1.216 224 N CA 0.228 53.288 53.050 0.017 0.000 0.943 224 N CB 0.701 39.193 38.487 0.008 0.000 1.113 224 N HN 0.753 nan 8.380 nan 0.000 0.447 225 T N -2.430 112.096 114.554 -0.046 0.000 2.908 225 T HA 0.220 4.570 4.350 -0.001 0.000 0.290 225 T C 1.164 175.835 174.700 -0.049 0.000 1.034 225 T CA -0.988 61.084 62.100 -0.048 0.000 1.010 225 T CB 1.506 70.323 68.868 -0.085 0.000 1.068 225 T HN 0.254 nan 8.240 nan 0.000 0.481 226 V N -0.219 119.677 119.914 -0.031 0.000 2.515 226 V HA 0.403 4.523 4.120 -0.001 0.000 0.250 226 V C 0.856 176.931 176.094 -0.031 0.000 1.058 226 V CA 1.292 63.576 62.300 -0.027 0.000 1.064 226 V CB -1.184 30.628 31.823 -0.017 0.000 0.675 226 V HN 1.197 nan 8.190 nan 0.000 0.461 227 A N 0.251 123.051 122.820 -0.034 0.000 2.380 227 A HA 0.718 5.037 4.320 -0.001 0.000 0.315 227 A C 0.132 177.674 177.584 -0.070 0.000 1.101 227 A CA 0.143 52.161 52.037 -0.032 0.000 0.771 227 A CB 1.414 20.410 19.000 -0.006 0.000 1.287 227 A HN 0.706 nan 8.150 nan 0.000 0.436 228 S N 1.441 117.110 115.700 -0.052 0.000 2.558 228 S HA 0.245 4.714 4.470 -0.001 0.000 0.288 228 S C -1.252 173.243 174.600 -0.174 0.000 1.318 228 S CA -0.229 57.908 58.200 -0.105 0.000 1.056 228 S CB 0.440 63.677 63.200 0.061 0.000 0.853 228 S HN 0.509 nan 8.310 nan 0.000 0.505 229 P HA 0.242 nan 4.420 nan 0.000 0.255 229 P C -0.106 177.043 177.300 -0.251 0.000 1.248 229 P CA 0.059 62.940 63.100 -0.364 0.000 0.807 229 P CB -0.117 31.151 31.700 -0.719 0.000 1.150 230 I N 0.538 120.950 120.570 -0.263 0.000 2.436 230 I HA 0.134 4.303 4.170 -0.001 0.000 0.289 230 I C 1.952 178.012 176.117 -0.095 0.000 1.083 230 I CA -0.183 60.970 61.300 -0.245 0.000 1.372 230 I CB 0.846 38.464 38.000 -0.637 0.000 1.408 230 I HN -0.096 nan 8.210 nan 0.000 0.516 231 G N 5.217 114.001 108.800 -0.025 0.000 2.408 231 G HA2 0.140 4.100 3.960 -0.001 0.000 0.217 231 G HA3 0.140 4.100 3.960 -0.001 0.000 0.217 231 G C 0.545 175.480 174.900 0.059 0.000 1.150 231 G CA 0.693 45.813 45.100 0.033 0.000 0.776 231 G HN 0.681 nan 8.290 nan 0.000 0.542 232 A N -0.856 121.988 122.820 0.040 0.000 2.427 232 A HA 0.642 4.962 4.320 -0.001 0.000 0.298 232 A C -1.784 175.875 177.584 0.124 0.000 1.036 232 A CA -0.717 51.388 52.037 0.115 0.000 0.701 232 A CB 1.010 20.053 19.000 0.071 0.000 1.250 232 A HN 0.124 nan 8.150 nan 0.000 0.412 233 Y N 3.031 123.392 120.300 0.102 0.000 2.518 233 Y HA 0.336 4.886 4.550 -0.001 0.000 0.344 233 Y C 1.020 177.080 175.900 0.267 0.000 0.982 233 Y CA -0.621 57.612 58.100 0.221 0.000 1.234 233 Y CB 0.480 39.137 38.460 0.327 0.000 1.114 233 Y HN 0.534 nan 8.280 nan 0.000 0.515 234 R N 1.773 122.524 120.500 0.419 0.000 2.594 234 R HA -0.101 4.238 4.340 -0.001 0.000 0.272 234 R C 1.413 177.861 176.300 0.247 0.000 1.074 234 R CA -0.252 56.031 56.100 0.304 0.000 1.105 234 R CB 0.537 30.988 30.300 0.251 0.000 1.008 234 R HN 0.937 nan 8.270 nan 0.000 0.472 235 W N 3.160 124.450 121.300 -0.016 0.000 2.342 235 W HA -0.245 4.415 4.660 -0.000 0.000 0.297 235 W C 0.751 177.189 176.519 -0.135 0.000 1.213 235 W CA 1.538 58.834 57.345 -0.081 0.000 1.251 235 W CB 0.238 29.641 29.460 -0.095 0.000 1.136 235 W HN 0.651 nan 8.180 nan 0.000 0.526 236 E N 0.308 120.289 120.200 -0.365 0.000 2.086 236 E HA -0.272 4.077 4.350 -0.001 0.000 0.205 236 E C 1.723 177.964 176.600 -0.598 0.000 1.027 236 E CA 2.825 58.877 56.400 -0.580 0.000 0.830 236 E CB -1.234 27.989 29.700 -0.795 0.000 0.751 236 E HN 0.279 nan 8.360 nan 0.000 0.456 237 F N 0.365 120.184 119.950 -0.219 0.000 2.206 237 F HA -0.067 4.460 4.527 -0.001 0.000 0.298 237 F C 2.468 178.092 175.800 -0.294 0.000 1.090 237 F CA 1.270 59.149 58.000 -0.200 0.000 1.323 237 F CB -1.109 37.825 39.000 -0.110 0.000 1.028 237 F HN -0.054 nan 8.300 nan 0.000 0.492 238 T N -0.530 113.888 114.554 -0.226 0.000 2.708 238 T HA -0.252 4.098 4.350 -0.001 0.000 0.266 238 T C 1.558 175.842 174.700 -0.694 0.000 1.037 238 T CA 1.871 63.708 62.100 -0.439 0.000 1.146 238 T CB -0.534 68.046 68.868 -0.481 0.000 0.865 238 T HN 0.283 nan 8.240 nan 0.000 0.435 239 D N 0.566 120.304 120.400 -1.103 0.000 2.117 239 D HA -0.083 4.556 4.640 -0.001 0.000 0.198 239 D C 2.320 178.360 176.300 -0.432 0.000 0.982 239 D CA 0.938 54.367 54.000 -0.950 0.000 0.828 239 D CB -0.071 39.998 40.800 -1.218 0.000 0.967 239 D HN 0.209 nan 8.370 nan 0.000 0.464 240 R N -0.307 119.991 120.500 -0.336 0.000 2.066 240 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 240 R C 2.271 178.497 176.300 -0.123 0.000 1.131 240 R CA 1.322 57.321 56.100 -0.168 0.000 0.955 240 R CB -0.355 29.885 30.300 -0.101 0.000 0.851 240 R HN 0.222 nan 8.270 nan 0.000 0.432 241 A N 0.801 123.544 122.820 -0.130 0.000 1.908 241 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 241 A C 1.953 179.478 177.584 -0.099 0.000 1.181 241 A CA 1.188 53.164 52.037 -0.102 0.000 0.627 241 A CB -0.525 18.411 19.000 -0.107 0.000 0.818 241 A HN 0.239 nan 8.150 nan 0.000 0.445 242 L N -0.468 120.674 121.223 -0.136 0.000 2.056 242 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 242 L C 2.693 179.543 176.870 -0.033 0.000 1.078 242 L CA 2.325 57.119 54.840 -0.076 0.000 0.749 242 L CB -1.726 40.279 42.059 -0.090 0.000 0.901 242 L HN 0.361 nan 8.230 nan 0.000 0.433 243 T N -1.078 113.444 114.554 -0.053 0.000 2.720 243 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 243 T C 1.824 176.517 174.700 -0.012 0.000 1.037 243 T CA 1.420 63.508 62.100 -0.021 0.000 1.144 243 T CB 0.065 68.912 68.868 -0.035 0.000 0.864 243 T HN 0.169 nan 8.240 nan 0.000 0.444 244 E N 1.052 121.236 120.200 -0.027 0.000 2.106 244 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 244 E C 2.378 178.973 176.600 -0.009 0.000 0.984 244 E CA 1.110 57.499 56.400 -0.018 0.000 0.806 244 E CB -0.132 29.552 29.700 -0.026 0.000 0.750 244 E HN 0.520 nan 8.360 nan 0.000 0.458 245 Q N -0.412 119.382 119.800 -0.010 0.000 2.124 245 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 245 Q C 2.268 178.279 176.000 0.017 0.000 0.977 245 Q CA 1.134 56.938 55.803 0.001 0.000 0.850 245 Q CB -0.072 28.666 28.738 0.000 0.000 0.901 245 Q HN 0.320 nan 8.270 nan 0.000 0.429 246 L N -0.126 121.113 121.223 0.026 0.000 2.056 246 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 246 L C 2.169 179.055 176.870 0.028 0.000 1.078 246 L CA 0.409 55.271 54.840 0.038 0.000 0.749 246 L CB -0.318 41.771 42.059 0.050 0.000 0.901 246 L HN 0.217 nan 8.230 nan 0.000 0.433 247 L N -0.320 120.914 121.223 0.019 0.000 2.012 247 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 247 L C 2.400 179.277 176.870 0.011 0.000 1.073 247 L CA 1.752 56.600 54.840 0.014 0.000 0.748 247 L CB -0.774 41.290 42.059 0.008 0.000 0.891 247 L HN 0.158 nan 8.230 nan 0.000 0.431 248 L N -0.996 120.232 121.223 0.008 0.000 2.079 248 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 248 L C 2.559 179.435 176.870 0.010 0.000 1.081 248 L CA 1.412 56.255 54.840 0.006 0.000 0.752 248 L CB -0.386 41.674 42.059 0.001 0.000 0.896 248 L HN 0.421 nan 8.230 nan 0.000 0.433 249 E N 0.055 120.264 120.200 0.016 0.000 2.047 249 E HA -0.243 4.107 4.350 -0.001 0.000 0.191 249 E C 1.683 178.294 176.600 0.019 0.000 0.987 249 E CA 1.336 57.748 56.400 0.020 0.000 0.799 249 E CB 0.122 29.840 29.700 0.030 0.000 0.752 249 E HN 0.412 nan 8.360 nan 0.000 0.449 250 D N 0.883 121.295 120.400 0.020 0.000 2.133 250 D HA -0.195 4.444 4.640 -0.001 0.000 0.192 250 D C 1.310 177.618 176.300 0.013 0.000 1.001 250 D CA 1.329 55.339 54.000 0.018 0.000 0.844 250 D CB -0.225 40.585 40.800 0.018 0.000 0.944 250 D HN 0.366 nan 8.370 nan 0.000 0.447 251 E N -0.563 119.644 120.200 0.011 0.000 2.512 251 E HA 0.214 4.564 4.350 -0.001 0.000 0.195 251 E C 1.171 177.775 176.600 0.007 0.000 1.083 251 E CA 0.368 56.773 56.400 0.008 0.000 0.873 251 E CB 0.126 29.830 29.700 0.006 0.000 0.897 251 E HN 0.319 nan 8.360 nan 0.000 0.514 252 G N 1.212 110.017 108.800 0.008 0.000 2.143 252 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.249 252 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.249 252 G C 0.043 174.946 174.900 0.005 0.000 0.981 252 G CA -0.165 44.939 45.100 0.007 0.000 0.665 252 G HN 0.202 nan 8.290 nan 0.000 0.528 253 Q N 0.073 119.875 119.800 0.005 0.000 2.245 253 Q HA 0.430 4.770 4.340 -0.001 0.000 0.256 253 Q C -2.553 173.448 176.000 0.002 0.000 0.942 253 Q CA -1.796 54.008 55.803 0.002 0.000 0.896 253 Q CB 1.819 30.558 28.738 0.001 0.000 1.272 253 Q HN 0.155 nan 8.270 nan 0.000 0.442 254 P HA 0.068 nan 4.420 nan 0.000 0.267 254 P C -0.540 176.756 177.300 -0.006 0.000 1.205 254 P CA 0.397 63.495 63.100 -0.003 0.000 0.765 254 P CB 0.896 32.593 31.700 -0.006 0.000 0.828 255 A N 1.572 124.388 122.820 -0.006 0.000 1.595 255 A HA 0.103 4.422 4.320 -0.001 0.000 0.199 255 A C 0.702 178.279 177.584 -0.011 0.000 1.987 255 A CA 0.495 52.526 52.037 -0.010 0.000 1.632 255 A CB -0.977 18.020 19.000 -0.005 0.000 1.535 255 A HN 0.502 nan 8.150 nan 0.000 0.299 256 T N -0.944 113.612 114.554 0.002 0.000 2.813 256 T HA 0.437 4.787 4.350 -0.001 0.000 0.297 256 T C 1.159 175.844 174.700 -0.025 0.000 1.036 256 T CA 0.386 62.492 62.100 0.011 0.000 1.044 256 T CB 1.192 70.092 68.868 0.053 0.000 0.993 256 T HN 0.592 nan 8.240 nan 0.000 0.535 257 V N 1.236 121.106 119.914 -0.073 0.000 2.719 257 V HA 0.353 4.472 4.120 -0.001 0.000 0.252 257 V C 1.345 177.366 176.094 -0.123 0.000 1.065 257 V CA 1.410 63.623 62.300 -0.146 0.000 1.086 257 V CB -1.305 30.345 31.823 -0.289 0.000 0.700 257 V HN 1.209 nan 8.190 nan 0.000 0.467 258 A N -1.143 121.639 122.820 -0.064 0.000 2.602 258 A HA 0.738 5.058 4.320 -0.001 0.000 0.290 258 A C -3.164 174.468 177.584 0.080 0.000 1.114 258 A CA -1.472 50.571 52.037 0.009 0.000 0.683 258 A CB 0.937 19.957 19.000 0.032 0.000 1.281 258 A HN 0.039 nan 8.150 nan 0.000 0.416 259 P HA 0.323 nan 4.420 nan 0.000 0.264 259 P C 0.988 178.353 177.300 0.109 0.000 1.193 259 P CA 2.193 65.336 63.100 0.072 0.000 0.763 259 P CB 0.613 32.341 31.700 0.047 0.000 0.810 260 G N 1.812 110.675 108.800 0.105 0.000 2.184 260 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.264 260 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.264 260 G C 0.103 175.098 174.900 0.159 0.000 0.975 260 G CA 0.190 45.356 45.100 0.110 0.000 0.642 260 G HN 0.783 nan 8.290 nan 0.000 0.536 261 H N 0.186 119.302 119.070 0.077 0.000 2.632 261 H HA 0.655 5.211 4.556 -0.000 0.000 0.258 261 H C 0.584 175.957 175.328 0.075 0.000 1.278 261 H CA -0.202 55.908 56.048 0.103 0.000 1.352 261 H CB 0.235 30.059 29.762 0.104 0.000 1.418 261 H HN 0.539 nan 8.280 nan 0.000 0.513 262 A N 3.420 126.409 122.820 0.282 0.000 2.322 262 A HA 0.768 5.088 4.320 -0.001 0.000 0.269 262 A C -0.442 177.246 177.584 0.174 0.000 1.094 262 A CA 0.238 52.374 52.037 0.166 0.000 0.807 262 A CB 0.401 19.467 19.000 0.111 0.000 1.047 262 A HN 0.788 nan 8.150 nan 0.000 0.487 263 A N 0.815 123.639 122.820 0.007 0.000 2.594 263 A HA 0.615 4.935 4.320 -0.001 0.000 0.296 263 A C -0.892 176.588 177.584 -0.172 0.000 1.056 263 A CA -0.141 51.799 52.037 -0.162 0.000 0.693 263 A CB 0.508 19.231 19.000 -0.461 0.000 1.278 263 A HN 2.029 nan 8.150 nan 0.000 0.408 264 I N -1.625 118.823 120.570 -0.204 0.000 3.042 264 I HA 0.908 5.078 4.170 -0.001 0.000 0.310 264 I C -0.370 175.597 176.117 -0.250 0.000 1.117 264 I CA -0.944 60.227 61.300 -0.214 0.000 1.003 264 I CB 1.976 39.829 38.000 -0.244 0.000 1.228 264 I HN 0.733 nan 8.210 nan 0.000 0.443 265 R N 2.111 122.482 120.500 -0.216 0.000 2.494 265 R HA 0.521 4.861 4.340 -0.001 0.000 0.305 265 R C -1.687 174.487 176.300 -0.210 0.000 0.959 265 R CA -0.646 55.346 56.100 -0.180 0.000 0.864 265 R CB 1.078 31.324 30.300 -0.090 0.000 1.159 265 R HN 0.684 nan 8.270 nan 0.000 0.446 266 Y N 3.457 123.673 120.300 -0.139 0.000 2.377 266 Y HA 0.236 4.786 4.550 -0.000 0.000 0.330 266 Y C 0.518 176.317 175.900 -0.169 0.000 1.108 266 Y CA -0.033 57.926 58.100 -0.234 0.000 1.308 266 Y CB 1.161 39.270 38.460 -0.586 0.000 1.216 266 Y HN 0.292 nan 8.280 nan 0.000 0.518 267 V N 0.400 120.400 119.914 0.143 0.000 3.040 267 V HA 0.519 4.638 4.120 -0.001 0.000 0.312 267 V C -0.591 175.606 176.094 0.172 0.000 1.115 267 V CA -1.374 60.989 62.300 0.105 0.000 0.998 267 V CB 2.129 33.982 31.823 0.050 0.000 1.042 267 V HN 0.729 nan 8.190 nan 0.000 0.433 268 N N 4.301 123.041 118.700 0.066 0.000 2.399 268 N HA 0.313 5.053 4.740 -0.001 0.000 0.259 268 N C -1.328 174.155 175.510 -0.045 0.000 1.160 268 N CA -2.019 51.033 53.050 0.003 0.000 0.946 268 N CB 1.301 39.763 38.487 -0.041 0.000 1.156 268 N HN 0.592 nan 8.380 nan 0.000 0.489 269 P HA -0.098 nan 4.420 nan 0.000 0.225 269 P C 0.803 178.072 177.300 -0.050 0.000 1.148 269 P CA 1.118 64.190 63.100 -0.048 0.000 0.779 269 P CB -0.103 31.586 31.700 -0.018 0.000 0.780 270 T N -5.684 108.766 114.554 -0.173 0.000 3.118 270 T HA 0.086 4.436 4.350 -0.001 0.000 0.260 270 T C 1.289 175.975 174.700 -0.023 0.000 1.139 270 T CA 1.084 63.132 62.100 -0.087 0.000 1.085 270 T CB -0.569 68.201 68.868 -0.163 0.000 0.934 270 T HN 0.016 nan 8.240 nan 0.000 0.518 271 T N -1.002 113.534 114.554 -0.030 0.000 3.236 271 T HA 0.467 4.817 4.350 -0.001 0.000 0.265 271 T C 1.493 176.189 174.700 -0.008 0.000 0.912 271 T CA 0.351 62.440 62.100 -0.017 0.000 0.946 271 T CB 0.178 69.028 68.868 -0.030 0.000 1.241 271 T HN 0.526 nan 8.240 nan 0.000 0.513 272 G N 1.175 109.972 108.800 -0.006 0.000 2.195 272 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.246 272 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.246 272 G C 0.577 175.475 174.900 -0.005 0.000 0.984 272 G CA 0.281 45.380 45.100 -0.000 0.000 0.633 272 G HN 0.871 nan 8.290 nan 0.000 0.525 273 G N -0.545 108.249 108.800 -0.010 0.000 2.494 273 G HA2 0.484 4.443 3.960 -0.001 0.000 0.270 273 G HA3 0.484 4.443 3.960 -0.001 0.000 0.270 273 G C -0.217 174.675 174.900 -0.013 0.000 1.423 273 G CA 0.218 45.310 45.100 -0.014 0.000 1.055 273 G HN 0.230 nan 8.290 nan 0.000 0.536 274 D N -0.904 119.485 120.400 -0.020 0.000 2.377 274 D HA 0.120 4.759 4.640 -0.001 0.000 0.245 274 D C 2.017 178.304 176.300 -0.022 0.000 1.196 274 D CA 0.063 54.048 54.000 -0.025 0.000 0.962 274 D CB 1.737 42.517 40.800 -0.034 0.000 1.127 274 D HN 0.123 nan 8.370 nan 0.000 0.471 275 V N -1.284 118.609 119.914 -0.036 0.000 2.407 275 V HA -0.064 4.056 4.120 -0.001 0.000 0.248 275 V C 0.931 177.018 176.094 -0.012 0.000 1.055 275 V CA 1.259 63.542 62.300 -0.029 0.000 1.049 275 V CB -0.346 31.407 31.823 -0.117 0.000 0.662 275 V HN 0.402 nan 8.190 nan 0.000 0.455 276 M N -1.443 118.149 119.600 -0.014 0.000 2.575 276 M HA 0.461 4.941 4.480 -0.001 0.000 0.284 276 M C -2.403 173.888 176.300 -0.015 0.000 1.253 276 M CA -1.569 53.730 55.300 -0.002 0.000 0.861 276 M CB 2.192 34.807 32.600 0.025 0.000 1.733 276 M HN -0.277 nan 8.290 nan 0.000 0.462 277 P HA -0.142 nan 4.420 nan 0.000 0.218 277 P C 0.969 178.228 177.300 -0.068 0.000 1.146 277 P CA 1.468 64.546 63.100 -0.037 0.000 0.813 277 P CB 0.161 31.844 31.700 -0.028 0.000 0.778 278 T N -3.969 110.545 114.554 -0.067 0.000 3.016 278 T HA 0.254 4.604 4.350 -0.001 0.000 0.271 278 T C 0.023 174.677 174.700 -0.077 0.000 0.968 278 T CA -0.110 61.912 62.100 -0.130 0.000 0.891 278 T CB -0.166 68.591 68.868 -0.186 0.000 1.149 278 T HN -0.161 nan 8.240 nan 0.000 0.524 279 L N 1.989 123.203 121.223 -0.014 0.000 2.408 279 L HA 0.636 4.976 4.340 -0.001 0.000 0.268 279 L C -0.449 176.412 176.870 -0.015 0.000 0.986 279 L CA -1.172 53.686 54.840 0.029 0.000 0.820 279 L CB 2.403 44.556 42.059 0.156 0.000 1.303 279 L HN 0.012 nan 8.230 nan 0.000 0.411 280 R N 1.776 122.250 120.500 -0.044 0.000 2.407 280 R HA 0.698 5.038 4.340 -0.001 0.000 0.303 280 R C -1.502 174.708 176.300 -0.149 0.000 0.981 280 R CA -0.272 55.778 56.100 -0.083 0.000 0.905 280 R CB 1.393 31.646 30.300 -0.078 0.000 1.099 280 R HN 0.698 nan 8.270 nan 0.000 0.459 281 C N 3.239 122.440 119.300 -0.164 0.000 2.408 281 C HA 0.532 4.992 4.460 -0.001 0.000 0.321 281 C C -0.533 174.460 174.990 0.006 0.000 1.245 281 C CA -0.539 58.336 59.018 -0.239 0.000 1.523 281 C CB 1.243 28.747 27.740 -0.392 0.000 2.178 281 C HN 0.866 nan 8.230 nan 0.000 0.488 282 E N 0.606 120.724 120.200 -0.137 0.000 2.410 282 E HA 0.649 4.999 4.350 -0.001 0.000 0.269 282 E C -1.706 174.912 176.600 0.031 0.000 0.937 282 E CA -0.540 55.826 56.400 -0.056 0.000 0.793 282 E CB 2.563 32.271 29.700 0.013 0.000 1.314 282 E HN 0.578 nan 8.360 nan 0.000 0.447 283 F N 0.817 120.710 119.950 -0.094 0.000 2.574 283 F HA 0.361 4.887 4.527 -0.001 0.000 0.313 283 F C -1.102 174.713 175.800 0.025 0.000 1.130 283 F CA -0.556 57.487 58.000 0.071 0.000 0.936 283 F CB 1.382 40.422 39.000 0.067 0.000 1.219 283 F HN 0.475 nan 8.300 nan 0.000 0.445 284 H N 3.495 122.742 119.070 0.294 0.000 2.495 284 H HA 0.536 5.091 4.556 -0.001 0.000 0.348 284 H C -0.912 174.636 175.328 0.366 0.000 1.113 284 H CA -0.821 55.412 56.048 0.309 0.000 1.195 284 H CB 1.764 31.659 29.762 0.221 0.000 1.521 284 H HN 0.501 nan 8.280 nan 0.000 0.509 285 R N 3.125 123.850 120.500 0.375 0.000 2.435 285 R HA 0.367 4.706 4.340 -0.001 0.000 0.308 285 R C -1.660 174.758 176.300 0.196 0.000 0.975 285 R CA -0.877 55.409 56.100 0.310 0.000 0.867 285 R CB 0.403 30.870 30.300 0.279 0.000 1.171 285 R HN 0.369 nan 8.270 nan 0.000 0.470 286 L N 4.027 125.348 121.223 0.165 0.000 2.275 286 L HA 0.463 4.802 4.340 -0.001 0.000 0.288 286 L C 0.724 177.684 176.870 0.150 0.000 1.046 286 L CA -0.283 54.617 54.840 0.100 0.000 0.805 286 L CB 1.235 43.340 42.059 0.076 0.000 1.193 286 L HN 0.489 nan 8.230 nan 0.000 0.426 287 R N 1.802 122.371 120.500 0.115 0.000 2.638 287 R HA 0.257 4.597 4.340 -0.001 0.000 0.268 287 R C 0.101 176.453 176.300 0.086 0.000 1.006 287 R CA 0.032 56.191 56.100 0.098 0.000 1.088 287 R CB 0.433 30.780 30.300 0.079 0.000 0.950 287 R HN 0.823 nan 8.270 nan 0.000 0.419 288 A N 2.331 125.194 122.820 0.071 0.000 2.567 288 A HA 0.301 4.620 4.320 -0.001 0.000 0.240 288 A C 1.322 178.922 177.584 0.026 0.000 1.053 288 A CA 0.802 52.863 52.037 0.040 0.000 0.755 288 A CB -0.220 18.797 19.000 0.028 0.000 0.978 288 A HN 1.007 nan 8.150 nan 0.000 0.507 289 G N 1.956 110.761 108.800 0.007 0.000 2.195 289 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.246 289 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.246 289 G C 0.509 175.417 174.900 0.013 0.000 0.984 289 G CA 0.483 45.584 45.100 0.003 0.000 0.633 289 G HN 1.218 nan 8.290 nan 0.000 0.525 290 T N 1.827 116.400 114.554 0.032 0.000 2.916 290 T HA 0.463 4.812 4.350 -0.001 0.000 0.303 290 T C 0.053 174.770 174.700 0.027 0.000 1.025 290 T CA 0.453 62.575 62.100 0.036 0.000 1.142 290 T CB 1.050 69.948 68.868 0.049 0.000 0.947 290 T HN 0.414 nan 8.240 nan 0.000 0.544 291 E N 2.011 122.221 120.200 0.017 0.000 2.155 291 E HA 0.313 4.662 4.350 -0.001 0.000 0.264 291 E C 0.187 176.787 176.600 -0.001 0.000 0.886 291 E CA -0.731 55.671 56.400 0.002 0.000 0.752 291 E CB 1.273 30.965 29.700 -0.014 0.000 1.133 291 E HN 0.695 nan 8.360 nan 0.000 0.414 292 T N -0.131 114.417 114.554 -0.010 0.000 2.860 292 T HA 0.429 4.778 4.350 -0.001 0.000 0.299 292 T C 0.389 175.027 174.700 -0.103 0.000 1.045 292 T CA -0.740 61.350 62.100 -0.017 0.000 1.071 292 T CB 1.182 70.043 68.868 -0.012 0.000 0.985 292 T HN 0.415 nan 8.240 nan 0.000 0.537 293 A N 2.585 125.331 122.820 -0.122 0.000 2.363 293 A HA 0.525 4.844 4.320 -0.001 0.000 0.270 293 A C 0.852 178.265 177.584 -0.286 0.000 1.121 293 A CA -0.686 51.254 52.037 -0.161 0.000 0.800 293 A CB -0.275 18.654 19.000 -0.120 0.000 1.052 293 A HN 0.948 nan 8.150 nan 0.000 0.493 294 T N 3.135 117.531 114.554 -0.264 0.000 2.867 294 T HA 0.210 4.560 4.350 -0.001 0.000 0.297 294 T C 0.302 174.756 174.700 -0.411 0.000 0.989 294 T CA 0.679 62.575 62.100 -0.339 0.000 1.159 294 T CB -0.122 68.609 68.868 -0.228 0.000 0.928 294 T HN 0.575 nan 8.240 nan 0.000 0.538 295 R N 3.185 123.313 120.500 -0.621 0.000 2.534 295 R HA 0.302 4.642 4.340 -0.001 0.000 0.301 295 R C -0.388 175.677 176.300 -0.392 0.000 0.961 295 R CA -0.747 55.028 56.100 -0.541 0.000 0.871 295 R CB 1.319 31.182 30.300 -0.728 0.000 1.170 295 R HN 0.650 nan 8.270 nan 0.000 0.446 296 N N 3.095 121.553 118.700 -0.403 0.000 2.425 296 N HA 0.186 4.925 4.740 -0.001 0.000 0.268 296 N C -0.971 174.395 175.510 -0.239 0.000 0.991 296 N CA -0.296 52.391 53.050 -0.606 0.000 0.931 296 N CB 2.011 39.535 38.487 -1.605 0.000 1.130 296 N HN 0.453 nan 8.380 nan 0.000 0.493 297 E N 0.979 121.276 120.200 0.162 0.000 2.272 297 E HA 0.326 4.676 4.350 -0.001 0.000 0.269 297 E C -0.572 176.330 176.600 0.503 0.000 0.877 297 E CA -0.826 55.806 56.400 0.386 0.000 0.755 297 E CB 2.530 32.429 29.700 0.332 0.000 1.192 297 E HN 0.150 nan 8.360 nan 0.000 0.422 298 V N 2.125 122.316 119.914 0.461 0.000 2.924 298 V HA 0.470 4.589 4.120 -0.001 0.000 0.305 298 V C 0.886 177.088 176.094 0.180 0.000 1.073 298 V CA 0.986 63.457 62.300 0.284 0.000 1.098 298 V CB 0.690 32.593 31.823 0.134 0.000 1.000 298 V HN 0.984 nan 8.190 nan 0.000 0.484 299 G N 3.756 112.630 108.800 0.123 0.000 2.741 299 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.222 299 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.222 299 G C -0.239 174.697 174.900 0.060 0.000 1.364 299 G CA -0.230 44.913 45.100 0.072 0.000 0.866 299 G HN 1.621 nan 8.290 nan 0.000 0.555 300 S N -1.932 113.765 115.700 -0.005 0.000 2.648 300 S HA 0.894 5.364 4.470 -0.001 0.000 0.305 300 S C -0.293 174.200 174.600 -0.178 0.000 1.094 300 S CA 0.429 58.595 58.200 -0.057 0.000 0.983 300 S CB 2.506 65.675 63.200 -0.052 0.000 1.101 300 S HN 1.940 nan 8.310 nan 0.000 0.514 301 T N 0.351 114.737 114.554 -0.280 0.000 2.923 301 T HA 0.607 4.956 4.350 -0.001 0.000 0.311 301 T C -1.783 172.536 174.700 -0.636 0.000 1.183 301 T CA -0.456 61.331 62.100 -0.521 0.000 1.020 301 T CB 1.342 69.863 68.868 -0.578 0.000 1.165 301 T HN 0.692 nan 8.240 nan 0.000 0.482 302 V N 4.564 123.879 119.914 -0.999 0.000 2.604 302 V HA 0.687 4.807 4.120 -0.001 0.000 0.305 302 V C -1.054 174.389 176.094 -1.085 0.000 1.043 302 V CA -0.758 60.952 62.300 -0.983 0.000 0.888 302 V CB 1.572 32.716 31.823 -1.131 0.000 0.995 302 V HN 0.845 nan 8.190 nan 0.000 0.429 303 F N 2.287 121.659 119.950 -0.963 0.000 2.522 303 F HA 0.620 5.146 4.527 -0.001 0.000 0.324 303 F C 0.144 175.618 175.800 -0.543 0.000 1.077 303 F CA -0.391 57.097 58.000 -0.854 0.000 0.944 303 F CB 2.006 40.240 39.000 -1.277 0.000 1.175 303 F HN 0.335 nan 8.300 nan 0.000 0.468 304 Q N 2.409 122.193 119.800 -0.025 0.000 2.321 304 Q HA 0.400 4.739 4.340 -0.001 0.000 0.270 304 Q C -1.541 174.511 176.000 0.086 0.000 1.032 304 Q CA -0.701 55.155 55.803 0.087 0.000 0.784 304 Q CB 2.488 31.347 28.738 0.202 0.000 1.264 304 Q HN 0.529 nan 8.270 nan 0.000 0.448 305 V N 6.183 126.170 119.914 0.120 0.000 2.421 305 V HA -0.015 4.104 4.120 -0.001 0.000 0.271 305 V C 0.901 177.107 176.094 0.187 0.000 1.031 305 V CA 0.505 62.883 62.300 0.130 0.000 1.032 305 V CB -0.227 31.748 31.823 0.255 0.000 1.009 305 V HN 0.776 nan 8.190 nan 0.000 0.477 306 F N 4.011 124.008 119.950 0.078 0.000 2.220 306 F HA 0.257 4.783 4.527 -0.001 0.000 0.290 306 F C 1.116 176.979 175.800 0.104 0.000 1.080 306 F CA 0.844 58.924 58.000 0.134 0.000 1.318 306 F CB 0.528 39.747 39.000 0.366 0.000 1.063 306 F HN 0.510 nan 8.300 nan 0.000 0.498 307 E N -0.836 119.473 120.200 0.181 0.000 2.383 307 E HA 0.507 4.857 4.350 -0.001 0.000 0.275 307 E C -0.401 176.367 176.600 0.279 0.000 0.918 307 E CA -0.083 56.358 56.400 0.068 0.000 0.764 307 E CB 1.866 31.594 29.700 0.047 0.000 1.252 307 E HN 0.484 nan 8.360 nan 0.000 0.449 308 G N 0.614 109.532 108.800 0.197 0.000 2.631 308 G HA2 0.370 4.330 3.960 -0.001 0.000 0.504 308 G HA3 0.370 4.330 3.960 -0.001 0.000 0.504 308 G C -0.994 173.993 174.900 0.144 0.000 1.306 308 G CA -0.374 44.844 45.100 0.198 0.000 0.897 308 G HN 0.999 nan 8.290 nan 0.000 0.520 309 A N -1.211 121.514 122.820 -0.158 0.000 2.556 309 A HA 1.216 5.536 4.320 -0.001 0.000 0.294 309 A C 0.564 177.506 177.584 -1.070 0.000 1.091 309 A CA 0.858 52.637 52.037 -0.431 0.000 0.704 309 A CB 1.421 20.312 19.000 -0.182 0.000 1.300 309 A HN 2.788 nan 8.150 nan 0.000 0.406 310 G N -0.881 107.251 108.800 -1.113 0.000 2.637 310 G HA2 0.795 4.754 3.960 -0.001 0.000 0.112 310 G HA3 0.795 4.754 3.960 -0.001 0.000 0.112 310 G C -0.607 174.111 174.900 -0.304 0.000 1.181 310 G CA 0.519 45.116 45.100 -0.839 0.000 1.150 310 G HN 2.301 nan 8.290 nan 0.000 0.561 311 A N -1.464 121.315 122.820 -0.067 0.000 2.612 311 A HA 0.790 5.110 4.320 -0.001 0.000 0.293 311 A C -1.226 176.346 177.584 -0.021 0.000 1.075 311 A CA -0.072 51.953 52.037 -0.021 0.000 0.680 311 A CB 1.308 20.267 19.000 -0.069 0.000 1.279 311 A HN 1.718 nan 8.150 nan 0.000 0.411 312 V N -0.343 119.462 119.914 -0.181 0.000 2.769 312 V HA 0.791 4.910 4.120 -0.001 0.000 0.312 312 V C -0.354 175.625 176.094 -0.191 0.000 1.058 312 V CA -0.794 61.321 62.300 -0.309 0.000 0.952 312 V CB 1.557 32.959 31.823 -0.702 0.000 1.019 312 V HN 0.759 nan 8.190 nan 0.000 0.445 313 V N 3.879 123.720 119.914 -0.122 0.000 2.487 313 V HA 0.604 4.724 4.120 -0.001 0.000 0.298 313 V C -0.330 175.745 176.094 -0.031 0.000 1.028 313 V CA -0.317 61.938 62.300 -0.075 0.000 0.860 313 V CB 1.619 33.409 31.823 -0.055 0.000 0.991 313 V HN 0.887 nan 8.190 nan 0.000 0.427 314 M N 3.373 122.954 119.600 -0.031 0.000 2.271 314 M HA 0.441 4.921 4.480 -0.001 0.000 0.285 314 M C 0.123 176.427 176.300 0.007 0.000 1.059 314 M CA -0.502 54.810 55.300 0.020 0.000 0.940 314 M CB 1.858 34.469 32.600 0.018 0.000 1.636 314 M HN 0.791 nan 8.290 nan 0.000 0.460 315 N N 1.891 120.600 118.700 0.014 0.000 2.716 315 N HA -0.214 4.526 4.740 -0.001 0.000 0.250 315 N C 0.685 176.187 175.510 -0.013 0.000 1.033 315 N CA 0.804 53.855 53.050 0.001 0.000 0.727 315 N CB -0.826 37.671 38.487 0.017 0.000 0.950 315 N HN 1.199 nan 8.380 nan 0.000 0.541 316 G N -0.998 107.786 108.800 -0.025 0.000 2.184 316 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.264 316 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.264 316 G C -0.218 174.662 174.900 -0.034 0.000 0.975 316 G CA 0.740 45.820 45.100 -0.032 0.000 0.642 316 G HN 0.580 nan 8.290 nan 0.000 0.536 317 E N 0.585 120.764 120.200 -0.035 0.000 2.166 317 E HA 0.508 4.857 4.350 -0.001 0.000 0.275 317 E C -0.365 176.199 176.600 -0.061 0.000 0.941 317 E CA -0.414 55.960 56.400 -0.043 0.000 0.784 317 E CB 1.442 31.119 29.700 -0.038 0.000 1.115 317 E HN 0.080 nan 8.360 nan 0.000 0.399 318 T N 1.979 116.495 114.554 -0.063 0.000 2.882 318 T HA 0.341 4.691 4.350 -0.001 0.000 0.287 318 T C -0.433 174.215 174.700 -0.086 0.000 0.992 318 T CA -0.123 61.932 62.100 -0.076 0.000 1.076 318 T CB 0.979 69.810 68.868 -0.062 0.000 0.961 318 T HN 0.311 nan 8.240 nan 0.000 0.490 319 T N 2.804 117.294 114.554 -0.107 0.000 2.928 319 T HA 0.617 4.966 4.350 -0.001 0.000 0.296 319 T C 0.025 174.674 174.700 -0.084 0.000 1.000 319 T CA -0.868 61.171 62.100 -0.102 0.000 0.989 319 T CB 1.253 70.041 68.868 -0.134 0.000 1.005 319 T HN 0.691 nan 8.240 nan 0.000 0.442 320 K N 2.394 122.760 120.400 -0.056 0.000 2.270 320 K HA 0.681 5.001 4.320 -0.001 0.000 0.276 320 K C -0.696 175.905 176.600 0.002 0.000 1.023 320 K CA -0.373 55.889 56.287 -0.041 0.000 0.955 320 K CB 0.174 32.649 32.500 -0.041 0.000 0.975 320 K HN 0.397 nan 8.250 nan 0.000 0.471 321 L N 2.204 123.447 121.223 0.034 0.000 2.362 321 L HA 0.513 4.852 4.340 -0.001 0.000 0.271 321 L C 0.051 177.001 176.870 0.135 0.000 1.002 321 L CA -0.729 54.197 54.840 0.144 0.000 0.818 321 L CB 1.968 44.218 42.059 0.319 0.000 1.298 321 L HN 0.954 nan 8.230 nan 0.000 0.420 322 E N 0.593 120.899 120.200 0.176 0.000 2.355 322 E HA 0.419 4.769 4.350 -0.001 0.000 0.261 322 E C -1.068 175.652 176.600 0.200 0.000 0.943 322 E CA -1.271 55.224 56.400 0.159 0.000 0.806 322 E CB 1.450 31.226 29.700 0.126 0.000 1.286 322 E HN 0.322 nan 8.360 nan 0.000 0.424 323 K N 0.313 120.800 120.400 0.144 0.000 2.473 323 K HA -0.027 4.292 4.320 -0.001 0.000 0.277 323 K C 0.696 177.307 176.600 0.018 0.000 1.052 323 K CA 1.492 57.822 56.287 0.071 0.000 1.114 323 K CB -0.436 32.069 32.500 0.009 0.000 0.869 323 K HN 0.721 nan 8.250 nan 0.000 0.481 324 G N 3.070 111.808 108.800 -0.104 0.000 2.284 324 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.230 324 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.230 324 G C -0.337 174.605 174.900 0.070 0.000 1.021 324 G CA 0.105 44.980 45.100 -0.375 0.000 0.619 324 G HN 0.739 nan 8.290 nan 0.000 0.510 325 D N 0.981 121.537 120.400 0.261 0.000 2.390 325 D HA 0.534 5.174 4.640 -0.001 0.000 0.236 325 D C 0.923 177.424 176.300 0.336 0.000 1.189 325 D CA 0.837 55.051 54.000 0.357 0.000 0.887 325 D CB 0.346 41.347 40.800 0.337 0.000 1.198 325 D HN 0.415 nan 8.370 nan 0.000 0.444 326 M N 0.947 120.789 119.600 0.403 0.000 2.446 326 M HA 0.533 5.012 4.480 -0.001 0.000 0.294 326 M C -1.229 175.353 176.300 0.471 0.000 1.158 326 M CA -0.944 54.546 55.300 0.316 0.000 0.899 326 M CB 1.930 34.684 32.600 0.256 0.000 1.687 326 M HN 0.413 nan 8.290 nan 0.000 0.455 327 F N 0.283 120.393 119.950 0.266 0.000 2.662 327 F HA 0.917 5.443 4.527 -0.001 0.000 0.312 327 F C -1.870 174.038 175.800 0.180 0.000 1.113 327 F CA -1.291 56.875 58.000 0.276 0.000 0.951 327 F CB 1.174 40.262 39.000 0.146 0.000 1.344 327 F HN 0.306 nan 8.300 nan 0.000 0.462 328 V N 2.495 122.628 119.914 0.365 0.000 2.588 328 V HA 0.735 4.855 4.120 -0.001 0.000 0.304 328 V C -1.526 174.692 176.094 0.207 0.000 1.042 328 V CA -0.733 61.651 62.300 0.141 0.000 0.877 328 V CB 1.948 33.874 31.823 0.172 0.000 0.996 328 V HN 0.816 nan 8.190 nan 0.000 0.425 329 V N 9.206 129.158 119.914 0.064 0.000 2.311 329 V HA 0.446 4.566 4.120 -0.001 0.000 0.275 329 V C -2.210 173.908 176.094 0.041 0.000 1.022 329 V CA -1.640 60.700 62.300 0.066 0.000 0.830 329 V CB 1.089 32.871 31.823 -0.068 0.000 1.012 329 V HN 0.793 nan 8.190 nan 0.000 0.452 330 P HA 0.158 nan 4.420 nan 0.000 0.275 330 P C 0.222 177.601 177.300 0.133 0.000 1.266 330 P CA -0.278 62.880 63.100 0.096 0.000 0.793 330 P CB 0.496 32.266 31.700 0.117 0.000 1.074 331 S N 0.627 116.416 115.700 0.148 0.000 2.563 331 S HA -0.083 4.386 4.470 -0.001 0.000 0.294 331 S C 0.494 175.307 174.600 0.354 0.000 1.279 331 S CA 0.143 58.475 58.200 0.221 0.000 1.069 331 S CB -1.110 62.194 63.200 0.173 0.000 0.828 331 S HN 0.690 nan 8.310 nan 0.000 0.497 332 W N 2.261 123.620 121.300 0.099 0.000 2.323 332 W HA -0.261 4.398 4.660 -0.002 0.000 0.261 332 W C -0.628 175.939 176.519 0.081 0.000 1.029 332 W CA 0.341 57.736 57.345 0.082 0.000 0.499 332 W CB -1.466 28.035 29.460 0.069 0.000 2.045 332 W HN 0.459 nan 8.180 nan 0.000 1.374 333 V N 3.497 123.500 119.914 0.149 0.000 2.479 333 V HA 0.091 4.210 4.120 -0.001 0.000 0.281 333 V C -1.058 175.077 176.094 0.067 0.000 1.031 333 V CA -0.503 61.848 62.300 0.084 0.000 1.038 333 V CB 0.699 32.600 31.823 0.131 0.000 0.981 333 V HN -0.123 nan 8.190 nan 0.000 0.478 334 P HA 0.085 nan 4.420 nan 0.000 0.271 334 P C -0.655 176.688 177.300 0.071 0.000 1.226 334 P CA 0.003 63.049 63.100 -0.089 0.000 0.765 334 P CB 0.492 32.086 31.700 -0.177 0.000 0.835 335 W N 2.213 123.459 121.300 -0.090 0.000 3.032 335 W HA 0.611 5.270 4.660 -0.000 0.000 0.335 335 W C -1.435 175.041 176.519 -0.072 0.000 1.154 335 W CA -1.177 56.129 57.345 -0.065 0.000 1.204 335 W CB 1.155 30.617 29.460 0.003 0.000 1.416 335 W HN 0.442 nan 8.180 nan 0.000 0.521 336 S N 1.999 117.728 115.700 0.049 0.000 2.588 336 S HA 0.803 5.272 4.470 -0.001 0.000 0.275 336 S C -1.389 173.252 174.600 0.068 0.000 1.130 336 S CA -1.002 57.141 58.200 -0.094 0.000 0.855 336 S CB 2.388 65.497 63.200 -0.152 0.000 1.116 336 S HN 0.525 nan 8.310 nan 0.000 0.472 337 L N 1.200 122.454 121.223 0.051 0.000 2.334 337 L HA 0.573 4.912 4.340 -0.001 0.000 0.276 337 L C -0.461 176.446 176.870 0.060 0.000 1.014 337 L CA -0.638 54.237 54.840 0.058 0.000 0.815 337 L CB 1.875 43.952 42.059 0.031 0.000 1.268 337 L HN 0.712 nan 8.230 nan 0.000 0.428 338 Q N 2.218 122.074 119.800 0.092 0.000 2.330 338 Q HA 0.674 5.014 4.340 -0.001 0.000 0.269 338 Q C -0.872 175.165 176.000 0.062 0.000 1.022 338 Q CA -0.715 55.119 55.803 0.052 0.000 0.796 338 Q CB 2.516 31.247 28.738 -0.011 0.000 1.271 338 Q HN 0.682 nan 8.270 nan 0.000 0.450 339 A N 2.036 124.890 122.820 0.058 0.000 2.252 339 A HA 0.203 4.522 4.320 -0.001 0.000 0.309 339 A C 0.611 178.108 177.584 -0.146 0.000 1.285 339 A CA -0.437 51.579 52.037 -0.035 0.000 0.900 339 A CB 0.617 19.705 19.000 0.146 0.000 1.157 339 A HN 1.003 nan 8.150 nan 0.000 0.536 340 E N 2.653 122.674 120.200 -0.299 0.000 2.014 340 E HA -0.064 4.286 4.350 -0.001 0.000 0.190 340 E C 1.133 177.657 176.600 -0.127 0.000 0.980 340 E CA 1.550 57.837 56.400 -0.189 0.000 0.807 340 E CB -0.028 29.547 29.700 -0.209 0.000 0.770 340 E HN 0.747 nan 8.360 nan 0.000 0.451 341 T N -1.616 112.847 114.554 -0.151 0.000 2.888 341 T HA 0.144 4.494 4.350 -0.001 0.000 0.283 341 T C 0.189 174.901 174.700 0.021 0.000 1.013 341 T CA -0.855 61.217 62.100 -0.047 0.000 0.938 341 T CB 0.795 69.644 68.868 -0.031 0.000 1.298 341 T HN 0.247 nan 8.240 nan 0.000 0.580 342 Q N 0.201 120.053 119.800 0.087 0.000 2.300 342 Q HA 0.178 4.517 4.340 -0.001 0.000 0.280 342 Q C -1.657 174.515 176.000 0.287 0.000 1.033 342 Q CA -0.240 55.664 55.803 0.169 0.000 0.903 342 Q CB 0.097 28.934 28.738 0.164 0.000 1.195 342 Q HN 0.562 nan 8.270 nan 0.000 0.386 343 F N 4.264 124.292 119.950 0.130 0.000 2.500 343 F HA 0.337 4.863 4.527 -0.001 0.000 0.349 343 F C -1.394 174.542 175.800 0.226 0.000 1.127 343 F CA -1.584 56.502 58.000 0.143 0.000 0.998 343 F CB 1.378 40.427 39.000 0.081 0.000 1.237 343 F HN 0.529 nan 8.300 nan 0.000 0.439 344 D N 5.899 126.555 120.400 0.427 0.000 2.303 344 D HA 0.464 5.103 4.640 -0.001 0.000 0.236 344 D C -0.801 175.632 176.300 0.222 0.000 1.068 344 D CA -0.100 54.205 54.000 0.507 0.000 0.830 344 D CB 1.787 43.114 40.800 0.877 0.000 1.109 344 D HN 0.127 nan 8.370 nan 0.000 0.496 345 L N 2.397 123.581 121.223 -0.066 0.000 2.365 345 L HA 0.487 4.827 4.340 -0.001 0.000 0.273 345 L C -0.568 175.765 176.870 -0.895 0.000 1.000 345 L CA -0.943 53.704 54.840 -0.321 0.000 0.819 345 L CB 1.135 43.076 42.059 -0.196 0.000 1.284 345 L HN 0.318 nan 8.230 nan 0.000 0.418 346 F N 4.120 123.508 119.950 -0.937 0.000 2.399 346 F HA 0.640 5.167 4.527 -0.000 0.000 0.334 346 F C 0.054 175.533 175.800 -0.535 0.000 1.097 346 F CA -0.391 56.997 58.000 -1.019 0.000 1.076 346 F CB 0.918 39.206 39.000 -1.186 0.000 1.162 346 F HN 0.516 nan 8.300 nan 0.000 0.495 347 R N 6.210 125.996 120.500 -1.189 0.000 2.621 347 R HA 0.503 4.842 4.340 -0.001 0.000 0.284 347 R C -2.070 173.628 176.300 -1.004 0.000 0.998 347 R CA -0.611 54.815 56.100 -1.124 0.000 0.895 347 R CB 1.451 31.070 30.300 -1.134 0.000 1.195 347 R HN 0.654 nan 8.270 nan 0.000 0.450 348 F N 0.475 119.811 119.950 -1.022 0.000 2.588 348 F HA 0.784 5.310 4.527 -0.001 0.000 0.314 348 F C -0.857 174.668 175.800 -0.459 0.000 1.069 348 F CA -1.115 56.480 58.000 -0.674 0.000 0.931 348 F CB 1.792 40.490 39.000 -0.503 0.000 1.260 348 F HN 0.514 nan 8.300 nan 0.000 0.465 349 S N -0.533 115.017 115.700 -0.251 0.000 2.638 349 S HA 0.424 4.894 4.470 -0.001 0.000 0.274 349 S C -0.790 173.744 174.600 -0.111 0.000 1.157 349 S CA -0.392 57.654 58.200 -0.255 0.000 0.826 349 S CB 1.589 64.631 63.200 -0.264 0.000 1.139 349 S HN 0.783 nan 8.310 nan 0.000 0.474 350 D N 0.239 120.579 120.400 -0.100 0.000 2.325 350 D HA 0.284 4.924 4.640 -0.001 0.000 0.225 350 D C 1.622 177.885 176.300 -0.062 0.000 1.096 350 D CA 0.347 54.304 54.000 -0.073 0.000 0.844 350 D CB -0.339 40.425 40.800 -0.060 0.000 0.925 350 D HN 0.634 nan 8.370 nan 0.000 0.513 351 A N 1.647 124.437 122.820 -0.050 0.000 1.927 351 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 351 A C -0.045 177.526 177.584 -0.021 0.000 1.185 351 A CA 1.380 53.406 52.037 -0.019 0.000 0.639 351 A CB -1.538 17.451 19.000 -0.018 0.000 0.820 351 A HN 0.287 nan 8.150 nan 0.000 0.451 352 P HA -0.132 nan 4.420 nan 0.000 0.218 352 P C 1.333 178.598 177.300 -0.058 0.000 1.148 352 P CA 0.937 64.008 63.100 -0.048 0.000 0.822 352 P CB -0.119 31.545 31.700 -0.060 0.000 0.784 353 I N -1.596 118.919 120.570 -0.093 0.000 2.142 353 I HA -0.237 3.932 4.170 -0.001 0.000 0.240 353 I C 2.330 178.457 176.117 0.017 0.000 1.078 353 I CA 1.449 62.686 61.300 -0.105 0.000 1.343 353 I CB -0.682 37.177 38.000 -0.235 0.000 1.046 353 I HN -0.093 nan 8.210 nan 0.000 0.405 354 M N 0.105 119.736 119.600 0.052 0.000 2.108 354 M HA -0.216 4.264 4.480 -0.001 0.000 0.261 354 M C 2.083 178.443 176.300 0.100 0.000 1.066 354 M CA 1.864 57.247 55.300 0.139 0.000 1.107 354 M CB -1.300 31.371 32.600 0.118 0.000 1.356 354 M HN 0.308 nan 8.290 nan 0.000 0.406 355 E N 0.533 120.757 120.200 0.041 0.000 2.072 355 E HA -0.030 4.320 4.350 -0.001 0.000 0.190 355 E C 2.195 178.784 176.600 -0.018 0.000 0.982 355 E CA 0.987 57.394 56.400 0.013 0.000 0.803 355 E CB -0.127 29.578 29.700 0.008 0.000 0.755 355 E HN 0.513 nan 8.360 nan 0.000 0.453 356 A N 1.017 123.824 122.820 -0.022 0.000 1.978 356 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 356 A C 1.879 179.424 177.584 -0.065 0.000 1.170 356 A CA 1.156 53.170 52.037 -0.037 0.000 0.636 356 A CB -0.351 18.629 19.000 -0.032 0.000 0.810 356 A HN 0.166 nan 8.150 nan 0.000 0.448 357 L N -1.482 119.693 121.223 -0.081 0.000 2.910 357 L HA 0.202 4.541 4.340 -0.001 0.000 0.252 357 L C 0.610 177.192 176.870 -0.479 0.000 1.195 357 L CA 0.114 54.819 54.840 -0.226 0.000 1.003 357 L CB 0.085 42.073 42.059 -0.118 0.000 1.328 357 L HN 0.210 nan 8.230 nan 0.000 0.540 358 S N -0.411 115.140 115.700 -0.248 0.000 3.587 358 S HA -0.214 4.256 4.470 -0.001 0.000 0.337 358 S C 0.731 175.211 174.600 -0.201 0.000 1.119 358 S CA 0.898 58.970 58.200 -0.213 0.000 0.976 358 S CB -1.598 61.462 63.200 -0.233 0.000 0.922 358 S HN 0.502 nan 8.310 nan 0.000 0.503 359 F N -0.620 119.328 119.950 -0.003 0.000 2.721 359 F HA 0.349 4.876 4.527 -0.000 0.000 0.301 359 F C 1.152 176.947 175.800 -0.007 0.000 1.096 359 F CA -0.512 57.482 58.000 -0.011 0.000 1.308 359 F CB 0.215 39.212 39.000 -0.006 0.000 1.086 359 F HN 0.297 nan 8.300 nan 0.000 0.587 360 M N 1.380 121.081 119.600 0.167 0.000 2.248 360 M HA 0.256 4.735 4.480 -0.001 0.000 0.337 360 M C -0.323 176.047 176.300 0.116 0.000 1.121 360 M CA 0.488 55.868 55.300 0.133 0.000 1.155 360 M CB 0.357 33.017 32.600 0.100 0.000 1.514 360 M HN 0.071 nan 8.290 nan 0.000 0.452 361 R N 1.251 121.840 120.500 0.148 0.000 2.629 361 R HA 0.645 4.984 4.340 -0.001 0.000 0.266 361 R C -1.675 174.818 176.300 0.320 0.000 1.051 361 R CA -0.470 55.732 56.100 0.170 0.000 0.895 361 R CB 2.035 32.375 30.300 0.067 0.000 1.246 361 R HN 0.777 nan 8.270 nan 0.000 0.459 362 T N 1.202 115.928 114.554 0.287 0.000 2.928 362 T HA 0.246 4.596 4.350 -0.001 0.000 0.296 362 T C -1.556 173.249 174.700 0.175 0.000 1.000 362 T CA -0.676 61.569 62.100 0.241 0.000 0.989 362 T CB 1.564 70.513 68.868 0.135 0.000 1.005 362 T HN 0.184 nan 8.240 nan 0.000 0.442 363 K N 3.973 124.405 120.400 0.054 0.000 2.274 363 K HA 0.737 5.057 4.320 -0.001 0.000 0.262 363 K C -0.986 175.537 176.600 -0.129 0.000 0.961 363 K CA -0.646 55.614 56.287 -0.046 0.000 0.833 363 K CB 0.342 32.772 32.500 -0.117 0.000 1.102 363 K HN 0.654 nan 8.250 nan 0.000 0.436 364 I N 2.970 123.485 120.570 -0.091 0.000 2.474 364 I HA 0.336 4.505 4.170 -0.001 0.000 0.294 364 I C 1.599 177.650 176.117 -0.110 0.000 1.005 364 I CA -0.526 60.701 61.300 -0.121 0.000 1.113 364 I CB 2.141 40.088 38.000 -0.088 0.000 1.289 364 I HN 0.816 nan 8.210 nan 0.000 0.436 365 E N 4.112 124.231 120.200 -0.134 0.000 2.106 365 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 365 E C 1.779 178.333 176.600 -0.077 0.000 0.984 365 E CA 1.116 57.449 56.400 -0.112 0.000 0.806 365 E CB 0.117 29.740 29.700 -0.129 0.000 0.750 365 E HN 0.950 nan 8.360 nan 0.000 0.458 366 G N 1.118 109.876 108.800 -0.071 0.000 2.916 366 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.205 366 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.205 366 G C 0.399 175.277 174.900 -0.037 0.000 1.163 366 G CA 0.685 45.756 45.100 -0.049 0.000 0.821 366 G HN 0.390 nan 8.290 nan 0.000 0.515 367 Q N 0.000 119.778 119.800 -0.037 0.000 2.315 367 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 367 Q CA 0.000 55.789 55.803 -0.024 0.000 1.022 367 Q CB 0.000 28.726 28.738 -0.020 0.000 1.108 367 Q HN 0.000 nan 8.270 nan 0.000 0.481