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 3cai_1_A DATA FIRST_RESID 3 DATA SEQUENCE YDVARVRGLH PSLGDGWVHF DAPAGMLIPD SVATTVSTAF RRSGASTVGA DATA SEQUENCE HPSARRSAAV LDAAREAVAD LVNADPGGVV LGADRAVLLS LLAEASSSRA DATA SEQUENCE GLGYEVIVSR LDDEANIAPW LRAAHRYGAK VKWAEVDIET GELPTWQWES DATA SEQUENCE LISKSTRLVA VNSASGTLGG VTDLRAMTKL VHDVGALVVV DHSAAAPYRL DATA SEQUENCE LDIRETDADV VTVNAHAWGG PPIGAMVFRD PSVMNSFGSV STNPYATGPA DATA SEQUENCE RLEIGVHQFG LLAGVVASIE YLAALDESAR GSRRERLAVS MQSADAYLNR DATA SEQUENCE VFDYLMVSLR SLPLVMLIGR PEAQIPVVSF AVHKVPADRV VQRLADNGIL DATA SEQUENCE AIANTGSRVL DVLGVNDVGG AVTVGLAHYS TMAEVDQLVR ALASLG 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.815 175.900 -0.141 0.000 1.272 3 Y CA 0.000 58.052 58.100 -0.080 0.000 1.940 3 Y CB 0.000 38.418 38.460 -0.070 0.000 1.050 4 D N 4.962 124.933 120.400 -0.716 0.000 2.438 4 D HA 0.209 4.846 4.640 -0.004 0.000 0.257 4 D C 0.208 176.137 176.300 -0.618 0.000 1.148 4 D CA 0.008 53.724 54.000 -0.473 0.000 0.902 4 D CB 1.740 42.362 40.800 -0.297 0.000 1.062 4 D HN 0.477 nan 8.370 nan 0.000 0.518 5 V N 4.114 123.744 119.914 -0.473 0.000 2.515 5 V HA -0.151 3.966 4.120 -0.004 0.000 0.250 5 V C 2.080 178.114 176.094 -0.099 0.000 1.058 5 V CA 2.445 64.578 62.300 -0.278 0.000 1.064 5 V CB -0.274 31.447 31.823 -0.172 0.000 0.675 5 V HN 0.611 nan 8.190 nan 0.000 0.461 6 A N 0.156 122.927 122.820 -0.082 0.000 1.883 6 A HA -0.279 4.039 4.320 -0.004 0.000 0.217 6 A C 2.416 179.982 177.584 -0.031 0.000 1.186 6 A CA 2.155 54.177 52.037 -0.024 0.000 0.624 6 A CB -0.728 18.259 19.000 -0.021 0.000 0.822 6 A HN 0.580 nan 8.150 nan 0.000 0.444 7 R N -0.426 120.019 120.500 -0.091 0.000 2.073 7 R HA -0.107 4.231 4.340 -0.004 0.000 0.234 7 R C 1.980 178.260 176.300 -0.034 0.000 1.134 7 R CA 1.871 57.923 56.100 -0.079 0.000 0.952 7 R CB -0.438 29.781 30.300 -0.135 0.000 0.850 7 R HN 0.322 nan 8.270 nan 0.000 0.433 8 V N 1.109 120.986 119.914 -0.062 0.000 2.343 8 V HA -0.228 3.889 4.120 -0.004 0.000 0.247 8 V C 2.396 178.658 176.094 0.279 0.000 1.051 8 V CA 1.916 64.272 62.300 0.093 0.000 1.036 8 V CB -0.527 31.346 31.823 0.084 0.000 0.654 8 V HN 0.390 nan 8.190 nan 0.000 0.451 9 R N 0.239 120.862 120.500 0.205 0.000 2.120 9 R HA -0.104 4.234 4.340 -0.004 0.000 0.234 9 R C 2.405 178.803 176.300 0.164 0.000 1.123 9 R CA 1.302 57.529 56.100 0.211 0.000 0.975 9 R CB -0.755 29.632 30.300 0.145 0.000 0.866 9 R HN 0.594 nan 8.270 nan 0.000 0.446 10 G N 0.924 109.786 108.800 0.103 0.000 2.470 10 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.220 10 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.220 10 G C 1.277 176.206 174.900 0.050 0.000 1.121 10 G CA 0.343 45.479 45.100 0.060 0.000 0.766 10 G HN 0.189 nan 8.290 nan 0.000 0.553 11 L N 0.031 121.303 121.223 0.081 0.000 2.610 11 L HA 0.161 4.499 4.340 -0.004 0.000 0.232 11 L C 0.389 177.103 176.870 -0.260 0.000 1.149 11 L CA 0.251 55.071 54.840 -0.035 0.000 0.872 11 L CB -0.089 42.009 42.059 0.065 0.000 0.992 11 L HN 0.222 nan 8.230 nan 0.000 0.447 12 H N -0.356 118.702 119.070 -0.020 0.000 2.791 12 H HA 0.203 4.757 4.556 -0.004 0.000 0.272 12 H C -1.729 173.547 175.328 -0.086 0.000 1.188 12 H CA -1.539 54.445 56.048 -0.108 0.000 1.436 12 H CB 1.427 31.046 29.762 -0.239 0.000 1.467 12 H HN -0.113 nan 8.280 nan 0.000 0.500 13 P HA -0.200 nan 4.420 nan 0.000 0.217 13 P C 1.748 179.061 177.300 0.021 0.000 1.148 13 P CA 1.424 64.528 63.100 0.007 0.000 0.828 13 P CB 0.359 32.052 31.700 -0.011 0.000 0.783 14 S N -1.307 114.402 115.700 0.015 0.000 2.428 14 S HA -0.043 4.425 4.470 -0.004 0.000 0.230 14 S C 0.958 175.600 174.600 0.071 0.000 1.014 14 S CA 0.217 58.443 58.200 0.044 0.000 0.957 14 S CB -1.364 61.860 63.200 0.039 0.000 0.784 14 S HN 0.031 nan 8.310 nan 0.000 0.499 15 L N 2.035 123.278 121.223 0.034 0.000 2.525 15 L HA 0.341 4.679 4.340 -0.004 0.000 0.278 15 L C 1.649 178.564 176.870 0.074 0.000 1.218 15 L CA 0.927 55.799 54.840 0.053 0.000 0.878 15 L CB -0.057 42.002 42.059 0.000 0.000 1.127 15 L HN 0.587 nan 8.230 nan 0.000 0.492 16 G N 1.455 110.310 108.800 0.091 0.000 2.176 16 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.232 16 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.232 16 G C 0.522 175.460 174.900 0.062 0.000 0.986 16 G CA 0.221 45.363 45.100 0.070 0.000 0.643 16 G HN 0.840 nan 8.290 nan 0.000 0.522 17 D N 0.458 120.911 120.400 0.088 0.000 2.349 17 D HA 0.389 5.027 4.640 -0.004 0.000 0.224 17 D C 1.785 178.091 176.300 0.011 0.000 1.029 17 D CA 1.082 55.127 54.000 0.076 0.000 0.879 17 D CB -0.382 40.499 40.800 0.135 0.000 0.906 17 D HN 1.621 nan 8.370 nan 0.000 0.528 18 G N -0.431 108.366 108.800 -0.005 0.000 2.391 18 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.204 18 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.204 18 G C -0.238 174.572 174.900 -0.150 0.000 1.012 18 G CA -0.337 44.687 45.100 -0.127 0.000 0.651 18 G HN 0.233 nan 8.290 nan 0.000 0.494 19 W N 1.113 122.406 121.300 -0.011 0.000 2.253 19 W HA 0.535 5.193 4.660 -0.004 0.000 0.322 19 W C 0.263 176.710 176.519 -0.121 0.000 1.342 19 W CA -0.480 56.807 57.345 -0.097 0.000 1.218 19 W CB 1.302 30.670 29.460 -0.153 0.000 1.205 19 W HN 0.105 nan 8.180 nan 0.000 0.551 20 V N 5.017 125.013 119.914 0.138 0.000 2.357 20 V HA 0.170 4.288 4.120 -0.004 0.000 0.284 20 V C -0.035 176.048 176.094 -0.019 0.000 1.018 20 V CA -1.006 61.343 62.300 0.083 0.000 0.841 20 V CB 0.681 32.598 31.823 0.157 0.000 0.991 20 V HN 0.389 nan 8.190 nan 0.000 0.437 21 H N 5.685 124.770 119.070 0.025 0.000 2.690 21 H HA 0.313 4.866 4.556 -0.004 0.000 0.289 21 H C -0.553 174.676 175.328 -0.164 0.000 1.089 21 H CA -0.083 55.988 56.048 0.037 0.000 1.299 21 H CB 0.935 30.767 29.762 0.117 0.000 1.405 21 H HN 0.624 nan 8.280 nan 0.000 0.463 22 F N 1.449 121.541 119.950 0.236 0.000 2.791 22 F HA 0.031 4.555 4.527 -0.004 0.000 0.308 22 F C 0.706 176.607 175.800 0.168 0.000 1.138 22 F CA -0.532 57.584 58.000 0.193 0.000 1.294 22 F CB 0.613 39.716 39.000 0.173 0.000 0.975 22 F HN 0.444 nan 8.300 nan 0.000 0.512 23 D N -0.588 119.986 120.400 0.290 0.000 2.427 23 D HA 0.176 4.813 4.640 -0.004 0.000 0.224 23 D C 1.711 178.111 176.300 0.167 0.000 1.157 23 D CA 0.169 54.295 54.000 0.210 0.000 0.828 23 D CB -0.148 40.756 40.800 0.173 0.000 0.974 23 D HN 0.139 nan 8.370 nan 0.000 0.498 24 A N 1.716 124.636 122.820 0.167 0.000 1.940 24 A HA -0.171 4.147 4.320 -0.004 0.000 0.221 24 A C -0.119 177.528 177.584 0.106 0.000 1.190 24 A CA 1.396 53.502 52.037 0.115 0.000 0.647 24 A CB -1.557 17.506 19.000 0.105 0.000 0.821 24 A HN 0.290 nan 8.150 nan 0.000 0.457 25 P HA -0.081 nan 4.420 nan 0.000 0.219 25 P C 1.314 178.671 177.300 0.095 0.000 1.146 25 P CA 1.607 64.773 63.100 0.111 0.000 0.808 25 P CB -0.063 31.701 31.700 0.107 0.000 0.779 26 A N -1.055 121.823 122.820 0.096 0.000 2.208 26 A HA 0.467 4.784 4.320 -0.004 0.000 0.209 26 A C 1.025 178.696 177.584 0.145 0.000 1.161 26 A CA 0.836 52.937 52.037 0.107 0.000 0.782 26 A CB -0.749 18.305 19.000 0.091 0.000 0.816 26 A HN 0.286 nan 8.150 nan 0.000 0.477 27 G N -1.010 107.820 108.800 0.049 0.000 2.957 27 G HA2 0.126 4.084 3.960 -0.004 0.000 0.636 27 G HA3 0.126 4.084 3.960 -0.004 0.000 0.636 27 G C -0.535 174.286 174.900 -0.132 0.000 1.401 27 G CA -0.564 44.440 45.100 -0.159 0.000 0.941 27 G HN 0.198 nan 8.290 nan 0.000 0.610 28 M N 1.732 121.265 119.600 -0.113 0.000 2.202 28 M HA 0.415 4.892 4.480 -0.004 0.000 0.316 28 M C 1.234 177.511 176.300 -0.040 0.000 1.138 28 M CA -0.359 54.952 55.300 0.018 0.000 1.151 28 M CB 0.525 33.191 32.600 0.109 0.000 1.422 28 M HN 0.473 nan 8.290 nan 0.000 0.471 29 L N 1.777 123.005 121.223 0.007 0.000 2.514 29 L HA 0.046 4.384 4.340 -0.004 0.000 0.280 29 L C -0.281 176.591 176.870 0.003 0.000 1.223 29 L CA 0.136 54.900 54.840 -0.127 0.000 0.864 29 L CB -0.183 41.624 42.059 -0.421 0.000 1.118 29 L HN 0.512 nan 8.230 nan 0.000 0.494 30 I N 4.521 125.045 120.570 -0.076 0.000 2.379 30 I HA 0.145 4.313 4.170 -0.004 0.000 0.290 30 I C -1.860 174.148 176.117 -0.183 0.000 1.063 30 I CA -1.711 59.515 61.300 -0.123 0.000 1.351 30 I CB 0.529 38.450 38.000 -0.132 0.000 1.410 30 I HN 0.348 nan 8.210 nan 0.000 0.505 31 P HA -0.038 nan 4.420 nan 0.000 0.267 31 P C 0.350 177.452 177.300 -0.330 0.000 1.200 31 P CA 0.008 62.723 63.100 -0.641 0.000 0.772 31 P CB 0.676 31.909 31.700 -0.777 0.000 0.855 32 D N 1.739 121.970 120.400 -0.281 0.000 2.133 32 D HA -0.223 4.415 4.640 -0.004 0.000 0.192 32 D C 1.678 177.916 176.300 -0.103 0.000 1.001 32 D CA 2.371 56.283 54.000 -0.147 0.000 0.844 32 D CB -0.239 40.495 40.800 -0.111 0.000 0.944 32 D HN 0.358 nan 8.370 nan 0.000 0.447 33 S N -0.854 114.789 115.700 -0.095 0.000 2.382 33 S HA -0.154 4.314 4.470 -0.004 0.000 0.228 33 S C 2.206 176.784 174.600 -0.035 0.000 1.027 33 S CA 1.301 59.476 58.200 -0.041 0.000 0.991 33 S CB -0.750 62.449 63.200 -0.001 0.000 0.823 33 S HN 0.189 nan 8.310 nan 0.000 0.469 34 V N 2.497 122.369 119.914 -0.071 0.000 2.358 34 V HA -0.054 4.064 4.120 -0.004 0.000 0.246 34 V C 3.161 179.229 176.094 -0.043 0.000 1.047 34 V CA 1.548 63.817 62.300 -0.051 0.000 1.035 34 V CB -1.515 30.255 31.823 -0.088 0.000 0.658 34 V HN 0.665 nan 8.190 nan 0.000 0.452 35 A N -0.231 122.550 122.820 -0.065 0.000 1.877 35 A HA -0.235 4.083 4.320 -0.004 0.000 0.216 35 A C 2.407 179.976 177.584 -0.024 0.000 1.186 35 A CA 2.576 54.583 52.037 -0.051 0.000 0.620 35 A CB -1.049 17.913 19.000 -0.064 0.000 0.822 35 A HN 0.483 nan 8.150 nan 0.000 0.443 36 T N -0.271 114.270 114.554 -0.022 0.000 2.746 36 T HA -0.120 4.227 4.350 -0.004 0.000 0.267 36 T C 2.015 176.724 174.700 0.015 0.000 1.039 36 T CA 1.959 64.057 62.100 -0.003 0.000 1.142 36 T CB -0.514 68.350 68.868 -0.007 0.000 0.866 36 T HN 0.569 nan 8.240 nan 0.000 0.444 37 T N 1.747 116.310 114.554 0.016 0.000 2.746 37 T HA -0.075 4.273 4.350 -0.004 0.000 0.267 37 T C 2.161 176.893 174.700 0.052 0.000 1.039 37 T CA 0.960 63.080 62.100 0.033 0.000 1.142 37 T CB -0.497 68.392 68.868 0.034 0.000 0.866 37 T HN 0.152 nan 8.240 nan 0.000 0.444 38 V N 1.410 121.350 119.914 0.044 0.000 2.343 38 V HA -0.172 3.946 4.120 -0.004 0.000 0.247 38 V C 2.702 178.857 176.094 0.101 0.000 1.051 38 V CA 1.758 64.097 62.300 0.066 0.000 1.036 38 V CB -0.803 31.034 31.823 0.023 0.000 0.654 38 V HN 0.432 nan 8.190 nan 0.000 0.451 39 S N -0.138 115.602 115.700 0.066 0.000 2.353 39 S HA -0.227 4.241 4.470 -0.004 0.000 0.222 39 S C 2.094 176.767 174.600 0.122 0.000 1.035 39 S CA 2.170 60.421 58.200 0.085 0.000 1.025 39 S CB -0.465 62.761 63.200 0.044 0.000 0.902 39 S HN 0.705 nan 8.310 nan 0.000 0.440 40 T N 2.311 116.915 114.554 0.084 0.000 2.701 40 T HA 0.005 4.353 4.350 -0.004 0.000 0.263 40 T C 2.173 176.921 174.700 0.079 0.000 1.040 40 T CA 1.231 63.372 62.100 0.069 0.000 1.147 40 T CB -0.578 68.317 68.868 0.045 0.000 0.865 40 T HN 0.448 nan 8.240 nan 0.000 0.426 41 A N 0.980 123.857 122.820 0.094 0.000 1.933 41 A HA -0.031 4.287 4.320 -0.004 0.000 0.218 41 A C 2.022 179.679 177.584 0.122 0.000 1.175 41 A CA 1.332 53.427 52.037 0.096 0.000 0.628 41 A CB -0.963 18.104 19.000 0.111 0.000 0.814 41 A HN 0.482 nan 8.150 nan 0.000 0.444 42 F N 0.456 120.431 119.950 0.043 0.000 2.134 42 F HA -0.128 4.397 4.527 -0.004 0.000 0.299 42 F C 2.322 178.143 175.800 0.036 0.000 1.097 42 F CA 1.965 59.993 58.000 0.047 0.000 1.264 42 F CB -0.256 38.763 39.000 0.031 0.000 1.001 42 F HN 0.194 nan 8.300 nan 0.000 0.479 43 R N -0.107 120.389 120.500 -0.007 0.000 2.096 43 R HA -0.092 4.246 4.340 -0.004 0.000 0.235 43 R C 1.999 178.219 176.300 -0.134 0.000 1.127 43 R CA 1.174 57.220 56.100 -0.090 0.000 0.968 43 R CB -0.048 30.273 30.300 0.035 0.000 0.861 43 R HN 0.139 nan 8.270 nan 0.000 0.440 44 R N -0.332 120.120 120.500 -0.080 0.000 2.290 44 R HA 0.209 4.547 4.340 -0.004 0.000 0.197 44 R C 0.135 176.378 176.300 -0.095 0.000 0.913 44 R CA 0.124 56.186 56.100 -0.065 0.000 1.040 44 R CB 0.603 30.891 30.300 -0.019 0.000 0.992 44 R HN 0.003 nan 8.270 nan 0.000 0.500 45 S N 0.417 116.047 115.700 -0.116 0.000 2.545 45 S HA 0.411 4.879 4.470 -0.004 0.000 0.275 45 S C 0.471 174.966 174.600 -0.175 0.000 1.299 45 S CA -0.437 57.685 58.200 -0.130 0.000 1.048 45 S CB 1.693 64.885 63.200 -0.014 0.000 0.938 45 S HN 0.311 nan 8.310 nan 0.000 0.496 46 G N 1.032 109.693 108.800 -0.232 0.000 2.599 46 G HA2 0.461 4.419 3.960 -0.004 0.000 0.264 46 G HA3 0.461 4.419 3.960 -0.004 0.000 0.264 46 G C 1.054 175.881 174.900 -0.122 0.000 1.200 46 G CA -0.199 44.772 45.100 -0.214 0.000 0.896 46 G HN 0.808 nan 8.290 nan 0.000 0.536 47 A N -0.089 122.685 122.820 -0.077 0.000 1.948 47 A HA 0.190 4.508 4.320 -0.004 0.000 0.220 47 A C 1.752 179.421 177.584 0.143 0.000 1.177 47 A CA 2.290 54.343 52.037 0.027 0.000 0.636 47 A CB -0.580 18.414 19.000 -0.009 0.000 0.815 47 A HN 1.752 nan 8.150 nan 0.000 0.449 48 S N -3.912 111.816 115.700 0.048 0.000 2.776 48 S HA 0.419 4.887 4.470 -0.004 0.000 0.292 48 S C 0.432 174.979 174.600 -0.089 0.000 1.187 48 S CA 0.379 58.642 58.200 0.104 0.000 0.834 48 S CB 0.828 64.083 63.200 0.091 0.000 1.199 48 S HN 0.668 nan 8.310 nan 0.000 0.514 49 T N -1.406 113.133 114.554 -0.025 0.000 3.107 49 T HA 0.335 4.683 4.350 -0.004 0.000 0.249 49 T C 0.285 174.958 174.700 -0.045 0.000 1.096 49 T CA 0.023 62.068 62.100 -0.093 0.000 1.012 49 T CB -0.422 68.441 68.868 -0.009 0.000 0.977 49 T HN 0.499 nan 8.240 nan 0.000 0.527 50 V N 1.215 121.117 119.914 -0.020 0.000 2.547 50 V HA 0.802 4.920 4.120 -0.004 0.000 0.299 50 V C 0.799 176.884 176.094 -0.016 0.000 1.040 50 V CA 0.220 62.512 62.300 -0.014 0.000 0.913 50 V CB 0.658 32.479 31.823 -0.004 0.000 0.992 50 V HN 0.883 nan 8.190 nan 0.000 0.449 51 G N 3.060 111.853 108.800 -0.011 0.000 2.440 51 G HA2 0.333 4.291 3.960 -0.004 0.000 0.684 51 G HA3 0.333 4.291 3.960 -0.004 0.000 0.684 51 G C 0.226 175.131 174.900 0.008 0.000 1.309 51 G CA -0.021 45.078 45.100 -0.000 0.000 0.931 51 G HN 1.284 nan 8.290 nan 0.000 0.612 52 A N -0.474 122.357 122.820 0.018 0.000 2.178 52 A HA 0.293 4.611 4.320 -0.004 0.000 0.211 52 A C 1.047 178.639 177.584 0.013 0.000 1.157 52 A CA 1.253 53.293 52.037 0.005 0.000 0.780 52 A CB -0.311 18.684 19.000 -0.008 0.000 0.828 52 A HN 1.109 nan 8.150 nan 0.000 0.476 53 H N 0.575 119.619 119.070 -0.043 0.000 2.848 53 H HA 0.117 4.670 4.556 -0.004 0.000 0.341 53 H C -1.692 173.602 175.328 -0.056 0.000 1.060 53 H CA -1.410 54.610 56.048 -0.047 0.000 1.444 53 H CB 1.162 30.895 29.762 -0.049 0.000 1.446 53 H HN 0.002 nan 8.280 nan 0.000 0.583 54 P HA -0.222 nan 4.420 nan 0.000 0.217 54 P C 1.601 178.975 177.300 0.123 0.000 1.148 54 P CA 2.208 65.328 63.100 0.034 0.000 0.834 54 P CB 0.121 31.792 31.700 -0.048 0.000 0.783 55 S N -0.862 115.037 115.700 0.332 0.000 2.399 55 S HA -0.148 4.320 4.470 -0.004 0.000 0.231 55 S C 2.045 176.586 174.600 -0.098 0.000 1.022 55 S CA 1.192 59.409 58.200 0.028 0.000 0.983 55 S CB -1.278 61.825 63.200 -0.161 0.000 0.803 55 S HN 0.153 nan 8.310 nan 0.000 0.480 56 A N 2.385 125.170 122.820 -0.059 0.000 1.898 56 A HA 0.028 4.346 4.320 -0.004 0.000 0.216 56 A C 2.329 179.831 177.584 -0.136 0.000 1.181 56 A CA 1.301 53.263 52.037 -0.126 0.000 0.620 56 A CB -0.744 18.219 19.000 -0.061 0.000 0.819 56 A HN 0.582 nan 8.150 nan 0.000 0.442 57 R N -0.436 120.019 120.500 -0.075 0.000 2.081 57 R HA -0.164 4.174 4.340 -0.004 0.000 0.235 57 R C 2.374 178.616 176.300 -0.096 0.000 1.131 57 R CA 1.751 57.809 56.100 -0.070 0.000 0.960 57 R CB -0.275 30.000 30.300 -0.040 0.000 0.856 57 R HN 0.509 nan 8.270 nan 0.000 0.436 58 R N 0.038 120.477 120.500 -0.102 0.000 2.073 58 R HA -0.078 4.259 4.340 -0.004 0.000 0.234 58 R C 2.251 178.441 176.300 -0.183 0.000 1.134 58 R CA 2.207 58.243 56.100 -0.106 0.000 0.952 58 R CB -0.196 30.053 30.300 -0.085 0.000 0.850 58 R HN 0.162 nan 8.270 nan 0.000 0.433 59 S N 0.264 115.743 115.700 -0.368 0.000 2.370 59 S HA -0.171 4.297 4.470 -0.004 0.000 0.226 59 S C 1.982 176.305 174.600 -0.462 0.000 1.033 59 S CA 1.206 58.940 58.200 -0.778 0.000 1.011 59 S CB -0.350 61.901 63.200 -1.583 0.000 0.852 59 S HN 0.577 nan 8.310 nan 0.000 0.457 60 A N 1.622 124.275 122.820 -0.278 0.000 1.902 60 A HA 0.060 4.377 4.320 -0.004 0.000 0.217 60 A C 2.373 179.932 177.584 -0.041 0.000 1.181 60 A CA 1.811 53.789 52.037 -0.099 0.000 0.623 60 A CB -1.138 17.820 19.000 -0.069 0.000 0.818 60 A HN 0.528 nan 8.150 nan 0.000 0.443 61 A N -0.768 122.021 122.820 -0.053 0.000 1.902 61 A HA 0.016 4.334 4.320 -0.004 0.000 0.217 61 A C 2.231 179.818 177.584 0.005 0.000 1.181 61 A CA 1.739 53.764 52.037 -0.019 0.000 0.623 61 A CB -0.883 18.103 19.000 -0.023 0.000 0.818 61 A HN 0.384 nan 8.150 nan 0.000 0.443 62 V N -0.277 119.644 119.914 0.012 0.000 2.427 62 V HA -0.202 3.916 4.120 -0.004 0.000 0.248 62 V C 2.478 178.623 176.094 0.086 0.000 1.051 62 V CA 1.878 64.215 62.300 0.062 0.000 1.048 62 V CB -0.634 31.248 31.823 0.099 0.000 0.666 62 V HN 0.605 nan 8.190 nan 0.000 0.456 63 L N 0.812 122.100 121.223 0.107 0.000 2.017 63 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 63 L C 2.109 178.986 176.870 0.011 0.000 1.073 63 L CA 2.648 57.523 54.840 0.059 0.000 0.745 63 L CB -0.955 41.167 42.059 0.106 0.000 0.894 63 L HN 0.465 nan 8.230 nan 0.000 0.432 64 D N -0.718 119.695 120.400 0.022 0.000 2.104 64 D HA -0.201 4.437 4.640 -0.004 0.000 0.194 64 D C 2.099 178.412 176.300 0.023 0.000 0.994 64 D CA 1.515 55.526 54.000 0.018 0.000 0.830 64 D CB -0.058 40.751 40.800 0.016 0.000 0.959 64 D HN 0.461 nan 8.370 nan 0.000 0.452 65 A N 0.371 123.207 122.820 0.027 0.000 1.933 65 A HA 0.023 4.340 4.320 -0.004 0.000 0.218 65 A C 2.366 179.975 177.584 0.041 0.000 1.175 65 A CA 2.081 54.137 52.037 0.032 0.000 0.628 65 A CB -1.070 17.951 19.000 0.035 0.000 0.814 65 A HN 0.352 nan 8.150 nan 0.000 0.444 66 A N -0.025 122.821 122.820 0.043 0.000 1.877 66 A HA -0.176 4.142 4.320 -0.004 0.000 0.216 66 A C 2.242 179.855 177.584 0.049 0.000 1.186 66 A CA 1.509 53.576 52.037 0.050 0.000 0.620 66 A CB -0.495 18.527 19.000 0.036 0.000 0.822 66 A HN 0.559 nan 8.150 nan 0.000 0.443 67 R N -0.253 120.266 120.500 0.032 0.000 2.091 67 R HA -0.166 4.172 4.340 -0.004 0.000 0.238 67 R C 2.099 178.426 176.300 0.044 0.000 1.136 67 R CA 1.709 57.832 56.100 0.039 0.000 0.959 67 R CB -0.411 29.907 30.300 0.031 0.000 0.856 67 R HN 0.701 nan 8.270 nan 0.000 0.437 68 E N 0.529 120.751 120.200 0.037 0.000 2.072 68 E HA -0.152 4.196 4.350 -0.004 0.000 0.191 68 E C 2.068 178.689 176.600 0.035 0.000 0.985 68 E CA 1.111 57.531 56.400 0.033 0.000 0.801 68 E CB -0.100 29.615 29.700 0.026 0.000 0.750 68 E HN 0.364 nan 8.360 nan 0.000 0.452 69 A N 0.958 123.804 122.820 0.045 0.000 1.873 69 A HA -0.127 4.190 4.320 -0.004 0.000 0.215 69 A C 2.508 180.125 177.584 0.054 0.000 1.186 69 A CA 1.108 53.174 52.037 0.049 0.000 0.616 69 A CB -0.623 18.419 19.000 0.071 0.000 0.823 69 A HN 0.114 nan 8.150 nan 0.000 0.442 70 V N -0.043 119.917 119.914 0.077 0.000 2.358 70 V HA -0.226 3.891 4.120 -0.004 0.000 0.246 70 V C 3.048 179.178 176.094 0.059 0.000 1.047 70 V CA 1.813 64.168 62.300 0.091 0.000 1.035 70 V CB -1.269 30.623 31.823 0.116 0.000 0.658 70 V HN 0.610 nan 8.190 nan 0.000 0.452 71 A N 0.101 122.951 122.820 0.050 0.000 1.908 71 A HA -0.283 4.035 4.320 -0.004 0.000 0.218 71 A C 1.985 179.581 177.584 0.019 0.000 1.181 71 A CA 2.161 54.220 52.037 0.037 0.000 0.627 71 A CB -0.704 18.318 19.000 0.036 0.000 0.818 71 A HN 0.530 nan 8.150 nan 0.000 0.445 72 D N -0.527 119.881 120.400 0.013 0.000 2.123 72 D HA -0.145 4.493 4.640 -0.004 0.000 0.196 72 D C 1.773 178.062 176.300 -0.019 0.000 0.992 72 D CA 1.228 55.225 54.000 -0.004 0.000 0.833 72 D CB -0.425 40.371 40.800 -0.007 0.000 0.954 72 D HN 0.339 nan 8.370 nan 0.000 0.455 73 L N 0.461 121.671 121.223 -0.021 0.000 2.083 73 L HA -0.117 4.221 4.340 -0.004 0.000 0.209 73 L C 1.831 178.684 176.870 -0.029 0.000 1.083 73 L CA 1.285 56.095 54.840 -0.050 0.000 0.752 73 L CB -0.023 41.995 42.059 -0.069 0.000 0.899 73 L HN 0.082 nan 8.230 nan 0.000 0.433 74 V N -3.567 116.341 119.914 -0.011 0.000 3.214 74 V HA 0.372 4.490 4.120 -0.004 0.000 0.330 74 V C 0.811 176.888 176.094 -0.029 0.000 1.403 74 V CA 0.198 62.481 62.300 -0.028 0.000 1.143 74 V CB -0.899 30.911 31.823 -0.021 0.000 1.098 74 V HN 0.606 nan 8.190 nan 0.000 0.463 75 N N 0.498 119.187 118.700 -0.018 0.000 2.727 75 N HA -0.179 4.559 4.740 -0.004 0.000 0.249 75 N C -0.081 175.427 175.510 -0.004 0.000 1.048 75 N CA 0.982 54.024 53.050 -0.013 0.000 0.714 75 N CB -1.143 37.331 38.487 -0.021 0.000 0.959 75 N HN 1.136 nan 8.380 nan 0.000 0.544 76 A N -0.556 122.269 122.820 0.008 0.000 2.869 76 A HA 0.598 4.916 4.320 -0.004 0.000 0.244 76 A C -0.269 177.332 177.584 0.027 0.000 1.374 76 A CA -0.248 51.802 52.037 0.021 0.000 0.913 76 A CB 0.693 19.714 19.000 0.035 0.000 1.589 76 A HN 0.361 nan 8.150 nan 0.000 0.485 77 D N -0.981 119.442 120.400 0.039 0.000 2.185 77 D HA 0.377 5.014 4.640 -0.004 0.000 0.247 77 D C -1.829 174.499 176.300 0.047 0.000 1.027 77 D CA -1.640 52.382 54.000 0.037 0.000 0.861 77 D CB 1.802 42.624 40.800 0.036 0.000 1.202 77 D HN 0.108 nan 8.370 nan 0.000 0.453 78 P HA -0.049 nan 4.420 nan 0.000 0.222 78 P C 1.208 178.538 177.300 0.050 0.000 1.147 78 P CA 0.577 63.704 63.100 0.045 0.000 0.790 78 P CB 0.143 31.864 31.700 0.035 0.000 0.780 79 G N -0.095 108.732 108.800 0.045 0.000 2.625 79 G HA2 -0.062 3.896 3.960 -0.004 0.000 0.214 79 G HA3 -0.062 3.896 3.960 -0.004 0.000 0.214 79 G C 1.415 176.348 174.900 0.054 0.000 1.132 79 G CA 0.631 45.756 45.100 0.041 0.000 0.782 79 G HN 0.443 nan 8.290 nan 0.000 0.538 80 G N -0.561 108.291 108.800 0.086 0.000 3.324 80 G HA2 0.358 4.316 3.960 -0.004 0.000 0.251 80 G HA3 0.358 4.316 3.960 -0.004 0.000 0.251 80 G C -0.169 174.858 174.900 0.212 0.000 1.072 80 G CA -0.060 45.131 45.100 0.151 0.000 0.787 80 G HN 0.188 nan 8.290 nan 0.000 0.537 81 V N 1.839 121.839 119.914 0.142 0.000 2.348 81 V HA 0.331 4.448 4.120 -0.004 0.000 0.270 81 V C -0.161 176.016 176.094 0.138 0.000 1.037 81 V CA -0.636 61.747 62.300 0.139 0.000 0.872 81 V CB 1.436 33.316 31.823 0.095 0.000 1.002 81 V HN -0.045 nan 8.190 nan 0.000 0.464 82 V N 7.215 127.235 119.914 0.177 0.000 2.427 82 V HA 0.476 4.594 4.120 -0.004 0.000 0.286 82 V C -0.031 176.142 176.094 0.130 0.000 1.034 82 V CA -0.392 62.004 62.300 0.160 0.000 0.893 82 V CB 1.590 33.537 31.823 0.206 0.000 0.982 82 V HN 0.633 nan 8.190 nan 0.000 0.452 83 L N 4.332 125.642 121.223 0.145 0.000 2.334 83 L HA 0.978 5.316 4.340 -0.004 0.000 0.276 83 L C 0.579 177.546 176.870 0.162 0.000 1.014 83 L CA -0.047 54.876 54.840 0.137 0.000 0.815 83 L CB 1.983 44.098 42.059 0.093 0.000 1.268 83 L HN 0.821 nan 8.230 nan 0.000 0.428 84 G N 0.020 108.872 108.800 0.088 0.000 2.634 84 G HA2 0.486 4.444 3.960 -0.004 0.000 0.309 84 G HA3 0.486 4.444 3.960 -0.004 0.000 0.309 84 G C 0.008 174.911 174.900 0.004 0.000 1.299 84 G CA 0.149 45.272 45.100 0.038 0.000 0.798 84 G HN 0.585 nan 8.290 nan 0.000 0.490 85 A N -1.405 121.398 122.820 -0.027 0.000 2.014 85 A HA 0.377 4.695 4.320 -0.004 0.000 0.218 85 A C 0.751 178.301 177.584 -0.057 0.000 1.163 85 A CA 2.119 54.130 52.037 -0.044 0.000 0.652 85 A CB -0.218 18.748 19.000 -0.057 0.000 0.808 85 A HN 0.661 nan 8.150 nan 0.000 0.449 86 D N -3.036 117.334 120.400 -0.051 0.000 2.722 86 D HA 0.170 4.808 4.640 -0.004 0.000 0.231 86 D C 0.459 176.733 176.300 -0.043 0.000 1.218 86 D CA -0.214 53.749 54.000 -0.063 0.000 0.753 86 D CB 0.884 41.633 40.800 -0.084 0.000 1.471 86 D HN 0.080 nan 8.370 nan 0.000 0.455 87 R N 1.921 122.401 120.500 -0.033 0.000 2.159 87 R HA 0.000 4.338 4.340 -0.004 0.000 0.237 87 R C 1.684 177.967 176.300 -0.028 0.000 1.131 87 R CA 2.003 58.094 56.100 -0.015 0.000 0.982 87 R CB -0.715 29.590 30.300 0.008 0.000 0.868 87 R HN 0.224 nan 8.270 nan 0.000 0.453 88 A N 1.047 123.842 122.820 -0.040 0.000 1.930 88 A HA -0.015 4.303 4.320 -0.004 0.000 0.217 88 A C 2.351 179.892 177.584 -0.072 0.000 1.175 88 A CA 1.494 53.500 52.037 -0.052 0.000 0.627 88 A CB -0.546 18.424 19.000 -0.050 0.000 0.815 88 A HN 0.171 nan 8.150 nan 0.000 0.443 89 V N 0.259 120.134 119.914 -0.065 0.000 2.295 89 V HA -0.250 3.867 4.120 -0.004 0.000 0.246 89 V C 2.558 178.609 176.094 -0.072 0.000 1.049 89 V CA 1.922 64.181 62.300 -0.068 0.000 1.024 89 V CB -0.819 30.969 31.823 -0.058 0.000 0.648 89 V HN 0.569 nan 8.190 nan 0.000 0.447 90 L N -0.737 120.452 121.223 -0.056 0.000 2.046 90 L HA -0.180 4.158 4.340 -0.004 0.000 0.208 90 L C 2.423 179.241 176.870 -0.086 0.000 1.077 90 L CA 1.484 56.294 54.840 -0.050 0.000 0.747 90 L CB -0.582 41.465 42.059 -0.019 0.000 0.896 90 L HN 0.296 nan 8.230 nan 0.000 0.432 91 L N -1.049 120.115 121.223 -0.098 0.000 2.141 91 L HA -0.191 4.147 4.340 -0.004 0.000 0.209 91 L C 2.845 179.518 176.870 -0.329 0.000 1.094 91 L CA 1.070 55.812 54.840 -0.163 0.000 0.763 91 L CB -0.455 41.548 42.059 -0.093 0.000 0.908 91 L HN 0.228 nan 8.230 nan 0.000 0.437 92 S N 0.256 115.810 115.700 -0.244 0.000 2.355 92 S HA -0.198 4.269 4.470 -0.004 0.000 0.222 92 S C 2.015 176.493 174.600 -0.203 0.000 1.031 92 S CA 1.307 59.359 58.200 -0.246 0.000 0.993 92 S CB -0.230 62.879 63.200 -0.152 0.000 0.859 92 S HN 0.386 nan 8.310 nan 0.000 0.453 93 L N 0.760 121.899 121.223 -0.140 0.000 2.042 93 L HA -0.071 4.267 4.340 -0.004 0.000 0.210 93 L C 2.322 179.128 176.870 -0.107 0.000 1.076 93 L CA 1.563 56.346 54.840 -0.094 0.000 0.749 93 L CB -0.395 41.626 42.059 -0.064 0.000 0.893 93 L HN 0.388 nan 8.230 nan 0.000 0.432 94 L N 0.103 121.230 121.223 -0.159 0.000 2.017 94 L HA -0.156 4.182 4.340 -0.004 0.000 0.208 94 L C 2.630 179.423 176.870 -0.128 0.000 1.073 94 L CA 2.102 56.842 54.840 -0.168 0.000 0.745 94 L CB -0.905 41.072 42.059 -0.135 0.000 0.894 94 L HN 0.319 nan 8.230 nan 0.000 0.432 95 A N -1.000 121.560 122.820 -0.433 0.000 1.908 95 A HA -0.247 4.070 4.320 -0.004 0.000 0.218 95 A C 2.177 179.708 177.584 -0.088 0.000 1.181 95 A CA 1.882 53.621 52.037 -0.498 0.000 0.627 95 A CB -0.667 17.772 19.000 -0.934 0.000 0.818 95 A HN 0.597 nan 8.150 nan 0.000 0.445 96 E N -0.465 119.693 120.200 -0.070 0.000 2.085 96 E HA -0.157 4.190 4.350 -0.004 0.000 0.194 96 E C 2.195 178.854 176.600 0.098 0.000 0.994 96 E CA 1.077 57.507 56.400 0.050 0.000 0.801 96 E CB -0.266 29.448 29.700 0.025 0.000 0.743 96 E HN 0.625 nan 8.360 nan 0.000 0.453 97 A N 0.579 123.467 122.820 0.112 0.000 2.119 97 A HA -0.049 4.268 4.320 -0.004 0.000 0.217 97 A C 2.149 179.912 177.584 0.299 0.000 1.153 97 A CA 0.774 52.943 52.037 0.220 0.000 0.692 97 A CB -0.044 19.127 19.000 0.285 0.000 0.799 97 A HN 0.052 nan 8.150 nan 0.000 0.458 98 S N 0.282 116.151 115.700 0.281 0.000 2.481 98 S HA -0.064 4.403 4.470 -0.004 0.000 0.231 98 S C 1.712 176.284 174.600 -0.045 0.000 0.996 98 S CA 0.918 59.260 58.200 0.236 0.000 0.942 98 S CB -0.487 62.925 63.200 0.353 0.000 0.768 98 S HN 1.117 nan 8.310 nan 0.000 0.520 99 S N 2.406 117.989 115.700 -0.194 0.000 4.154 99 S HA -0.389 4.078 4.470 -0.004 0.000 0.538 99 S C 1.644 175.652 174.600 -0.987 0.000 1.296 99 S CA 2.100 59.850 58.200 -0.749 0.000 3.684 99 S CB -1.897 61.073 63.200 -0.384 0.000 1.955 99 S HN 0.888 nan 8.310 nan 0.000 0.461 100 S N 1.593 116.971 115.700 -0.538 0.000 2.522 100 S HA 0.126 4.594 4.470 -0.004 0.000 0.227 100 S C 1.667 176.264 174.600 -0.005 0.000 0.986 100 S CA 0.620 58.686 58.200 -0.224 0.000 0.929 100 S CB -0.512 62.683 63.200 -0.009 0.000 0.769 100 S HN 0.600 nan 8.310 nan 0.000 0.529 101 R N 1.075 121.515 120.500 -0.102 0.000 2.249 101 R HA 0.070 4.407 4.340 -0.004 0.000 0.230 101 R C 1.435 177.758 176.300 0.039 0.000 1.121 101 R CA 1.091 57.125 56.100 -0.110 0.000 0.997 101 R CB -0.386 29.857 30.300 -0.096 0.000 0.867 101 R HN 0.569 nan 8.270 nan 0.000 0.465 102 A N 0.482 123.343 122.820 0.069 0.000 2.577 102 A HA 0.310 4.627 4.320 -0.004 0.000 0.280 102 A C 0.539 178.268 177.584 0.243 0.000 1.331 102 A CA -0.135 52.004 52.037 0.171 0.000 0.935 102 A CB 0.363 19.490 19.000 0.212 0.000 1.082 102 A HN 0.246 nan 8.150 nan 0.000 0.525 103 G N -0.805 108.171 108.800 0.294 0.000 2.461 103 G HA2 0.493 4.450 3.960 -0.004 0.000 0.329 103 G HA3 0.493 4.450 3.960 -0.004 0.000 0.329 103 G C -0.317 174.652 174.900 0.115 0.000 1.170 103 G CA -0.695 44.563 45.100 0.263 0.000 0.935 103 G HN 0.331 nan 8.290 nan 0.000 0.492 104 L N 0.812 122.061 121.223 0.043 0.000 2.559 104 L HA 0.391 4.729 4.340 -0.004 0.000 0.282 104 L C 1.503 178.220 176.870 -0.254 0.000 1.232 104 L CA 2.293 57.102 54.840 -0.051 0.000 0.885 104 L CB 0.606 42.656 42.059 -0.016 0.000 1.131 104 L HN 1.408 nan 8.230 nan 0.000 0.498 105 G N 1.928 110.576 108.800 -0.254 0.000 2.254 105 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.225 105 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.225 105 G C -0.095 174.549 174.900 -0.426 0.000 1.003 105 G CA 0.155 45.007 45.100 -0.414 0.000 0.622 105 G HN 0.612 nan 8.290 nan 0.000 0.507 106 Y N 0.551 120.867 120.300 0.027 0.000 2.650 106 Y HA 0.781 5.328 4.550 -0.004 0.000 0.331 106 Y C 0.477 176.387 175.900 0.017 0.000 1.082 106 Y CA -1.515 56.595 58.100 0.017 0.000 1.171 106 Y CB 0.994 39.461 38.460 0.011 0.000 1.326 106 Y HN 0.149 nan 8.280 nan 0.000 0.513 107 E N 0.273 120.596 120.200 0.205 0.000 2.248 107 E HA 0.638 4.985 4.350 -0.004 0.000 0.267 107 E C -1.642 174.986 176.600 0.046 0.000 0.877 107 E CA -0.873 55.584 56.400 0.095 0.000 0.759 107 E CB 2.749 32.490 29.700 0.068 0.000 1.182 107 E HN 0.237 nan 8.360 nan 0.000 0.418 108 V N 3.973 123.888 119.914 0.001 0.000 2.495 108 V HA 0.430 4.548 4.120 -0.004 0.000 0.298 108 V C -0.251 175.758 176.094 -0.142 0.000 1.031 108 V CA -0.654 61.600 62.300 -0.077 0.000 0.871 108 V CB 1.382 33.178 31.823 -0.046 0.000 0.988 108 V HN 0.577 nan 8.190 nan 0.000 0.432 109 I N 5.478 125.935 120.570 -0.187 0.000 2.354 109 I HA 0.592 4.760 4.170 -0.004 0.000 0.292 109 I C -0.114 175.815 176.117 -0.315 0.000 0.989 109 I CA -0.698 60.488 61.300 -0.190 0.000 1.188 109 I CB 1.769 39.760 38.000 -0.015 0.000 1.342 109 I HN 0.524 nan 8.210 nan 0.000 0.457 110 V N 2.177 121.813 119.914 -0.464 0.000 3.103 110 V HA 0.734 4.852 4.120 -0.004 0.000 0.318 110 V C -0.184 175.692 176.094 -0.363 0.000 1.114 110 V CA -0.692 61.298 62.300 -0.517 0.000 1.020 110 V CB 1.813 33.170 31.823 -0.776 0.000 1.085 110 V HN 0.732 nan 8.190 nan 0.000 0.446 111 S N 0.316 115.925 115.700 -0.153 0.000 2.482 111 S HA 0.528 4.995 4.470 -0.004 0.000 0.303 111 S C 0.525 175.302 174.600 0.295 0.000 1.091 111 S CA -0.633 57.620 58.200 0.089 0.000 1.057 111 S CB 1.809 65.079 63.200 0.117 0.000 1.031 111 S HN 0.885 nan 8.310 nan 0.000 0.485 112 R N 3.204 123.953 120.500 0.414 0.000 2.237 112 R HA 0.228 4.565 4.340 -0.004 0.000 0.219 112 R C 1.453 177.874 176.300 0.202 0.000 1.080 112 R CA 1.297 57.623 56.100 0.376 0.000 0.995 112 R CB -0.561 29.846 30.300 0.179 0.000 0.875 112 R HN 0.810 nan 8.270 nan 0.000 0.462 113 L N -0.127 121.188 121.223 0.153 0.000 2.558 113 L HA 0.094 4.432 4.340 -0.004 0.000 0.225 113 L C -0.205 176.734 176.870 0.114 0.000 1.128 113 L CA 0.002 54.906 54.840 0.108 0.000 0.868 113 L CB -0.054 42.054 42.059 0.082 0.000 1.006 113 L HN 0.166 nan 8.230 nan 0.000 0.454 114 D N -0.101 120.384 120.400 0.142 0.000 2.344 114 D HA 0.012 4.650 4.640 -0.004 0.000 0.244 114 D C 0.080 176.453 176.300 0.122 0.000 1.134 114 D CA -0.146 53.928 54.000 0.123 0.000 0.930 114 D CB 0.695 41.565 40.800 0.117 0.000 1.175 114 D HN -0.029 nan 8.370 nan 0.000 0.437 115 D N 0.602 121.063 120.400 0.101 0.000 2.399 115 D HA -0.084 4.553 4.640 -0.004 0.000 0.241 115 D C 0.804 177.165 176.300 0.102 0.000 1.133 115 D CA -0.134 53.920 54.000 0.088 0.000 0.890 115 D CB 1.057 41.899 40.800 0.070 0.000 1.201 115 D HN 0.290 nan 8.370 nan 0.000 0.432 116 E N 2.525 122.779 120.200 0.091 0.000 2.209 116 E HA -0.174 4.174 4.350 -0.004 0.000 0.196 116 E C 1.734 178.378 176.600 0.073 0.000 0.993 116 E CA 1.492 57.949 56.400 0.095 0.000 0.819 116 E CB -0.300 29.445 29.700 0.074 0.000 0.745 116 E HN 0.535 nan 8.360 nan 0.000 0.477 117 A N 0.459 123.311 122.820 0.053 0.000 1.986 117 A HA -0.201 4.117 4.320 -0.004 0.000 0.220 117 A C 1.950 179.566 177.584 0.053 0.000 1.171 117 A CA 1.857 53.911 52.037 0.028 0.000 0.640 117 A CB -0.462 18.549 19.000 0.019 0.000 0.811 117 A HN 0.258 nan 8.150 nan 0.000 0.451 118 N N -1.317 117.459 118.700 0.126 0.000 2.273 118 N HA 0.338 5.076 4.740 -0.004 0.000 0.231 118 N C 0.598 176.319 175.510 0.352 0.000 1.134 118 N CA 0.130 53.336 53.050 0.260 0.000 0.856 118 N CB 0.039 38.657 38.487 0.219 0.000 1.068 118 N HN 0.507 nan 8.380 nan 0.000 0.510 119 I N -1.525 119.188 120.570 0.239 0.000 3.746 119 I HA 0.220 4.388 4.170 -0.004 0.000 0.262 119 I C 1.949 178.168 176.117 0.172 0.000 1.153 119 I CA 0.234 61.669 61.300 0.227 0.000 1.395 119 I CB -0.381 37.729 38.000 0.184 0.000 1.589 119 I HN 0.022 nan 8.210 nan 0.000 0.441 120 A N 2.574 125.450 122.820 0.095 0.000 1.892 120 A HA -0.138 4.180 4.320 -0.004 0.000 0.218 120 A C -0.228 177.337 177.584 -0.031 0.000 1.188 120 A CA 2.226 54.294 52.037 0.051 0.000 0.631 120 A CB -2.114 16.905 19.000 0.033 0.000 0.822 120 A HN 0.292 nan 8.150 nan 0.000 0.447 121 P HA -0.139 nan 4.420 nan 0.000 0.221 121 P C 0.948 178.039 177.300 -0.349 0.000 1.150 121 P CA 1.178 64.074 63.100 -0.340 0.000 0.800 121 P CB -0.316 31.035 31.700 -0.582 0.000 0.787 122 W N -0.135 121.155 121.300 -0.016 0.000 2.418 122 W HA 0.051 4.711 4.660 -0.000 0.000 0.292 122 W C 2.454 178.938 176.519 -0.057 0.000 1.213 122 W CA 0.024 57.346 57.345 -0.038 0.000 1.283 122 W CB -1.110 28.299 29.460 -0.084 0.000 1.119 122 W HN -0.203 nan 8.180 nan 0.000 0.542 123 L N 0.295 121.588 121.223 0.117 0.000 2.046 123 L HA -0.172 4.166 4.340 -0.004 0.000 0.208 123 L C 2.594 179.419 176.870 -0.075 0.000 1.077 123 L CA 1.451 56.283 54.840 -0.013 0.000 0.747 123 L CB -0.983 41.111 42.059 0.058 0.000 0.896 123 L HN 0.037 nan 8.230 nan 0.000 0.432 124 R N 0.106 120.630 120.500 0.039 0.000 2.081 124 R HA -0.128 4.209 4.340 -0.004 0.000 0.235 124 R C 2.438 178.798 176.300 0.099 0.000 1.131 124 R CA 1.414 57.574 56.100 0.100 0.000 0.960 124 R CB -0.429 29.902 30.300 0.052 0.000 0.856 124 R HN 0.349 nan 8.270 nan 0.000 0.436 125 A N 1.209 124.086 122.820 0.096 0.000 1.930 125 A HA -0.084 4.234 4.320 -0.004 0.000 0.217 125 A C 2.369 180.103 177.584 0.250 0.000 1.175 125 A CA 1.589 53.754 52.037 0.213 0.000 0.627 125 A CB -0.541 18.586 19.000 0.212 0.000 0.815 125 A HN 0.396 nan 8.150 nan 0.000 0.443 126 A N -0.869 122.028 122.820 0.129 0.000 1.908 126 A HA -0.211 4.107 4.320 -0.004 0.000 0.218 126 A C 2.041 179.657 177.584 0.053 0.000 1.181 126 A CA 1.706 53.787 52.037 0.074 0.000 0.627 126 A CB -0.913 18.064 19.000 -0.037 0.000 0.818 126 A HN 0.649 nan 8.150 nan 0.000 0.445 127 H N -0.273 118.859 119.070 0.104 0.000 2.353 127 H HA -0.045 4.509 4.556 -0.003 0.000 0.300 127 H C 2.318 177.653 175.328 0.012 0.000 1.090 127 H CA 1.659 57.741 56.048 0.057 0.000 1.327 127 H CB -0.252 29.533 29.762 0.039 0.000 1.383 127 H HN 0.513 nan 8.280 nan 0.000 0.508 128 R N -0.314 120.243 120.500 0.094 0.000 2.075 128 R HA -0.118 4.219 4.340 -0.004 0.000 0.232 128 R C 1.686 177.827 176.300 -0.266 0.000 1.126 128 R CA 1.476 57.485 56.100 -0.151 0.000 0.963 128 R CB -0.094 30.020 30.300 -0.310 0.000 0.858 128 R HN 0.379 nan 8.270 nan 0.000 0.435 129 Y N -2.077 118.275 120.300 0.088 0.000 2.535 129 Y HA 0.251 4.799 4.550 -0.004 0.000 0.266 129 Y C 1.554 177.498 175.900 0.072 0.000 1.088 129 Y CA 0.436 58.584 58.100 0.081 0.000 1.285 129 Y CB 1.155 39.674 38.460 0.098 0.000 1.166 129 Y HN 0.278 nan 8.280 nan 0.000 0.525 130 G N 0.011 108.934 108.800 0.205 0.000 2.192 130 G HA2 -0.112 3.845 3.960 -0.004 0.000 0.193 130 G HA3 -0.112 3.845 3.960 -0.004 0.000 0.193 130 G C 0.288 175.252 174.900 0.107 0.000 0.999 130 G CA -0.376 44.802 45.100 0.129 0.000 0.659 130 G HN 0.506 nan 8.290 nan 0.000 0.503 131 A N -0.002 122.898 122.820 0.133 0.000 2.466 131 A HA 0.582 4.899 4.320 -0.004 0.000 0.238 131 A C 0.657 178.288 177.584 0.077 0.000 1.074 131 A CA 1.057 53.163 52.037 0.114 0.000 0.774 131 A CB 0.362 19.454 19.000 0.154 0.000 1.015 131 A HN 0.946 nan 8.150 nan 0.000 0.498 132 K N 1.578 122.019 120.400 0.068 0.000 2.297 132 K HA 0.389 4.706 4.320 -0.004 0.000 0.286 132 K C -0.889 175.737 176.600 0.043 0.000 1.053 132 K CA 0.059 56.381 56.287 0.059 0.000 0.940 132 K CB 0.434 32.968 32.500 0.056 0.000 1.019 132 K HN 0.321 nan 8.250 nan 0.000 0.475 133 V N 6.292 126.230 119.914 0.039 0.000 2.432 133 V HA 0.245 4.363 4.120 -0.004 0.000 0.271 133 V C 0.189 176.298 176.094 0.025 0.000 1.046 133 V CA -0.357 61.936 62.300 -0.013 0.000 0.945 133 V CB 0.657 32.472 31.823 -0.013 0.000 0.992 133 V HN 0.697 nan 8.190 nan 0.000 0.471 134 K N 3.697 124.062 120.400 -0.059 0.000 2.208 134 K HA 0.505 4.822 4.320 -0.004 0.000 0.247 134 K C -1.477 175.048 176.600 -0.126 0.000 0.953 134 K CA -0.599 55.697 56.287 0.014 0.000 0.837 134 K CB 2.433 34.943 32.500 0.017 0.000 1.131 134 K HN 0.548 nan 8.250 nan 0.000 0.431 135 W N 0.629 121.906 121.300 -0.039 0.000 2.532 135 W HA 0.405 5.061 4.660 -0.007 0.000 0.321 135 W C -0.269 176.166 176.519 -0.140 0.000 1.037 135 W CA -0.498 56.811 57.345 -0.060 0.000 1.220 135 W CB 1.716 31.149 29.460 -0.044 0.000 1.361 135 W HN 0.588 nan 8.180 nan 0.000 0.468 136 A N 3.632 126.445 122.820 -0.012 0.000 2.404 136 A HA 0.443 4.761 4.320 -0.004 0.000 0.273 136 A C 0.024 177.569 177.584 -0.065 0.000 1.144 136 A CA -0.264 51.621 52.037 -0.254 0.000 0.806 136 A CB 0.222 18.921 19.000 -0.503 0.000 1.080 136 A HN 0.531 nan 8.150 nan 0.000 0.509 137 E N 1.117 121.239 120.200 -0.131 0.000 2.227 137 E HA 0.440 4.788 4.350 -0.004 0.000 0.268 137 E C 0.087 176.622 176.600 -0.108 0.000 0.990 137 E CA -0.589 55.773 56.400 -0.064 0.000 0.856 137 E CB 1.806 31.469 29.700 -0.061 0.000 1.159 137 E HN 0.589 nan 8.360 nan 0.000 0.401 138 V N -1.311 118.566 119.914 -0.060 0.000 2.785 138 V HA 0.266 4.384 4.120 -0.004 0.000 0.300 138 V C 0.450 176.510 176.094 -0.056 0.000 1.062 138 V CA -0.898 61.364 62.300 -0.063 0.000 1.029 138 V CB 1.443 33.251 31.823 -0.024 0.000 1.024 138 V HN 0.559 nan 8.190 nan 0.000 0.477 139 D N 2.497 122.864 120.400 -0.056 0.000 2.417 139 D HA 0.069 4.706 4.640 -0.004 0.000 0.250 139 D C 1.286 177.591 176.300 0.010 0.000 1.166 139 D CA 0.181 54.180 54.000 -0.003 0.000 0.881 139 D CB 1.307 42.119 40.800 0.020 0.000 1.164 139 D HN 0.761 nan 8.370 nan 0.000 0.467 140 I N 0.882 121.462 120.570 0.018 0.000 2.830 140 I HA -0.061 4.107 4.170 -0.004 0.000 0.263 140 I C 1.491 177.620 176.117 0.020 0.000 1.230 140 I CA 0.431 61.739 61.300 0.013 0.000 1.480 140 I CB 0.063 38.068 38.000 0.008 0.000 1.095 140 I HN 0.192 nan 8.210 nan 0.000 0.455 141 E N 1.636 121.854 120.200 0.030 0.000 2.075 141 E HA -0.082 4.266 4.350 -0.004 0.000 0.190 141 E C 2.396 179.016 176.600 0.033 0.000 0.969 141 E CA 2.056 58.475 56.400 0.032 0.000 0.815 141 E CB -0.032 29.691 29.700 0.038 0.000 0.776 141 E HN 0.685 nan 8.360 nan 0.000 0.457 142 T N -3.329 111.247 114.554 0.037 0.000 3.051 142 T HA 0.204 4.552 4.350 -0.004 0.000 0.255 142 T C 1.540 176.257 174.700 0.028 0.000 1.085 142 T CA 0.971 63.092 62.100 0.036 0.000 1.109 142 T CB 0.392 69.287 68.868 0.044 0.000 0.921 142 T HN 0.232 nan 8.240 nan 0.000 0.488 143 G N 1.403 110.214 108.800 0.019 0.000 2.162 143 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.260 143 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.260 143 G C -0.184 174.719 174.900 0.005 0.000 0.976 143 G CA 0.257 45.366 45.100 0.015 0.000 0.655 143 G HN 0.666 nan 8.290 nan 0.000 0.533 144 E N -0.469 119.726 120.200 -0.009 0.000 2.283 144 E HA 0.526 4.873 4.350 -0.004 0.000 0.267 144 E C 0.300 176.852 176.600 -0.080 0.000 1.045 144 E CA -0.811 55.572 56.400 -0.028 0.000 0.884 144 E CB 1.196 30.879 29.700 -0.029 0.000 1.106 144 E HN 0.233 nan 8.360 nan 0.000 0.408 145 L N 3.815 124.993 121.223 -0.075 0.000 2.312 145 L HA 0.243 4.581 4.340 -0.004 0.000 0.287 145 L C -2.172 174.546 176.870 -0.255 0.000 1.091 145 L CA -1.922 52.832 54.840 -0.144 0.000 0.846 145 L CB 0.078 42.126 42.059 -0.018 0.000 1.219 145 L HN 0.126 nan 8.230 nan 0.000 0.439 146 P HA 0.034 nan 4.420 nan 0.000 0.268 146 P C 0.957 177.818 177.300 -0.732 0.000 1.205 146 P CA -0.221 62.323 63.100 -0.927 0.000 0.771 146 P CB 0.777 31.350 31.700 -1.880 0.000 0.858 147 T N -1.242 113.070 114.554 -0.402 0.000 2.915 147 T HA -0.160 4.187 4.350 -0.004 0.000 0.269 147 T C 1.235 175.985 174.700 0.083 0.000 1.071 147 T CA 0.722 62.844 62.100 0.037 0.000 1.132 147 T CB -0.986 67.965 68.868 0.138 0.000 0.878 147 T HN 0.583 nan 8.240 nan 0.000 0.479 148 W N 2.630 123.973 121.300 0.072 0.000 2.595 148 W HA 0.073 4.740 4.660 0.013 0.000 0.257 148 W C 2.132 178.649 176.519 -0.003 0.000 1.267 148 W CA 0.358 57.730 57.345 0.045 0.000 1.300 148 W CB -0.638 28.834 29.460 0.020 0.000 1.120 148 W HN 0.453 nan 8.180 nan 0.000 0.618 149 Q N -0.546 119.082 119.800 -0.285 0.000 2.297 149 Q HA -0.128 4.210 4.340 -0.004 0.000 0.204 149 Q C 1.542 177.414 176.000 -0.213 0.000 0.962 149 Q CA 1.245 56.889 55.803 -0.265 0.000 0.879 149 Q CB -1.120 27.300 28.738 -0.530 0.000 0.947 149 Q HN 0.489 nan 8.270 nan 0.000 0.462 150 W N 1.786 123.064 121.300 -0.037 0.000 2.363 150 W HA -0.076 4.575 4.660 -0.015 0.000 0.296 150 W C 2.123 178.639 176.519 -0.005 0.000 1.212 150 W CA 1.050 58.374 57.345 -0.034 0.000 1.260 150 W CB 0.083 29.511 29.460 -0.055 0.000 1.131 150 W HN 0.291 nan 8.180 nan 0.000 0.530 151 E N 0.281 120.617 120.200 0.227 0.000 2.150 151 E HA -0.187 4.161 4.350 -0.004 0.000 0.193 151 E C 2.197 178.863 176.600 0.110 0.000 0.985 151 E CA 1.799 58.291 56.400 0.153 0.000 0.814 151 E CB -0.039 29.742 29.700 0.134 0.000 0.752 151 E HN 0.206 nan 8.360 nan 0.000 0.466 152 S N -0.509 115.246 115.700 0.092 0.000 2.458 152 S HA 0.045 4.513 4.470 -0.004 0.000 0.223 152 S C 1.945 176.576 174.600 0.052 0.000 1.019 152 S CA -0.040 58.198 58.200 0.064 0.000 0.937 152 S CB -0.055 63.178 63.200 0.054 0.000 0.788 152 S HN 0.195 nan 8.310 nan 0.000 0.511 153 L N 0.710 121.960 121.223 0.046 0.000 2.072 153 L HA 0.270 4.608 4.340 -0.004 0.000 0.205 153 L C 0.485 177.407 176.870 0.087 0.000 1.079 153 L CA 0.830 55.694 54.840 0.039 0.000 0.752 153 L CB -0.175 41.870 42.059 -0.025 0.000 0.906 153 L HN 0.288 nan 8.230 nan 0.000 0.436 154 I N 0.056 120.704 120.570 0.130 0.000 2.416 154 I HA 0.043 4.211 4.170 -0.004 0.000 0.288 154 I C 0.479 176.639 176.117 0.071 0.000 1.051 154 I CA 0.017 61.380 61.300 0.106 0.000 1.375 154 I CB 1.062 39.129 38.000 0.111 0.000 1.407 154 I HN 0.127 nan 8.210 nan 0.000 0.516 155 S N 4.923 120.656 115.700 0.056 0.000 2.709 155 S HA 0.401 4.869 4.470 -0.004 0.000 0.302 155 S C 0.727 175.355 174.600 0.046 0.000 1.127 155 S CA -0.954 57.277 58.200 0.051 0.000 0.905 155 S CB 1.669 64.900 63.200 0.052 0.000 1.151 155 S HN 0.726 nan 8.310 nan 0.000 0.510 156 K N 0.251 120.680 120.400 0.047 0.000 2.281 156 K HA -0.027 4.291 4.320 -0.004 0.000 0.203 156 K C 1.251 177.893 176.600 0.070 0.000 1.046 156 K CA 1.700 58.016 56.287 0.048 0.000 0.938 156 K CB -0.519 32.009 32.500 0.047 0.000 0.737 156 K HN 0.354 nan 8.250 nan 0.000 0.458 157 S N 0.679 116.432 115.700 0.090 0.000 2.548 157 S HA 0.023 4.490 4.470 -0.004 0.000 0.215 157 S C 0.098 174.782 174.600 0.140 0.000 0.976 157 S CA -0.047 58.248 58.200 0.158 0.000 0.908 157 S CB 0.218 63.503 63.200 0.141 0.000 0.781 157 S HN 0.328 nan 8.310 nan 0.000 0.519 158 T N 2.973 117.564 114.554 0.062 0.000 2.853 158 T HA 0.202 4.550 4.350 -0.004 0.000 0.298 158 T C 1.010 175.683 174.700 -0.045 0.000 0.978 158 T CA -0.036 62.075 62.100 0.018 0.000 1.152 158 T CB 0.658 69.529 68.868 0.005 0.000 0.914 158 T HN 0.109 nan 8.240 nan 0.000 0.539 159 R N 1.816 122.265 120.500 -0.084 0.000 2.342 159 R HA 0.342 4.680 4.340 -0.004 0.000 0.204 159 R C -0.106 176.111 176.300 -0.138 0.000 0.882 159 R CA 0.262 56.261 56.100 -0.169 0.000 1.041 159 R CB 0.365 30.466 30.300 -0.332 0.000 1.188 159 R HN 0.486 nan 8.270 nan 0.000 0.598 160 L N 0.967 122.103 121.223 -0.144 0.000 2.436 160 L HA 0.509 4.847 4.340 -0.004 0.000 0.268 160 L C -1.117 175.569 176.870 -0.305 0.000 0.974 160 L CA -0.885 53.816 54.840 -0.232 0.000 0.826 160 L CB 3.016 44.919 42.059 -0.261 0.000 1.291 160 L HN -0.350 nan 8.230 nan 0.000 0.406 161 V N 2.113 121.817 119.914 -0.350 0.000 2.525 161 V HA 0.717 4.835 4.120 -0.004 0.000 0.299 161 V C -0.245 175.591 176.094 -0.430 0.000 1.034 161 V CA -0.529 61.570 62.300 -0.336 0.000 0.863 161 V CB 1.759 33.433 31.823 -0.248 0.000 0.999 161 V HN 0.794 nan 8.190 nan 0.000 0.423 162 A N 4.539 127.061 122.820 -0.497 0.000 2.291 162 A HA 0.895 5.213 4.320 -0.004 0.000 0.311 162 A C -0.852 176.611 177.584 -0.203 0.000 1.224 162 A CA -0.577 51.182 52.037 -0.463 0.000 0.821 162 A CB 1.557 20.053 19.000 -0.841 0.000 1.172 162 A HN 0.972 nan 8.150 nan 0.000 0.494 163 V N 3.158 123.007 119.914 -0.109 0.000 3.114 163 V HA 0.633 4.750 4.120 -0.004 0.000 0.308 163 V C -1.514 174.590 176.094 0.016 0.000 1.168 163 V CA -0.929 61.363 62.300 -0.013 0.000 1.015 163 V CB 2.557 34.376 31.823 -0.007 0.000 1.050 163 V HN 1.115 nan 8.190 nan 0.000 0.433 164 N N 1.939 120.673 118.700 0.057 0.000 2.472 164 N HA 0.320 5.058 4.740 -0.004 0.000 0.289 164 N C 0.614 176.170 175.510 0.076 0.000 1.156 164 N CA -0.006 53.088 53.050 0.073 0.000 0.940 164 N CB 1.596 40.134 38.487 0.084 0.000 1.200 164 N HN 0.660 nan 8.380 nan 0.000 0.511 165 S N -0.783 114.985 115.700 0.113 0.000 2.461 165 S HA 0.370 4.837 4.470 -0.004 0.000 0.228 165 S C 0.527 175.195 174.600 0.113 0.000 1.005 165 S CA 0.288 58.567 58.200 0.132 0.000 0.942 165 S CB -0.342 63.027 63.200 0.282 0.000 0.776 165 S HN 1.043 nan 8.310 nan 0.000 0.514 166 A N 0.515 123.394 122.820 0.098 0.000 2.597 166 A HA 0.676 4.993 4.320 -0.004 0.000 0.292 166 A C -0.631 176.991 177.584 0.063 0.000 1.057 166 A CA -0.373 51.705 52.037 0.069 0.000 0.674 166 A CB 0.835 19.871 19.000 0.060 0.000 1.278 166 A HN 0.291 nan 8.150 nan 0.000 0.416 167 S N -0.035 115.696 115.700 0.051 0.000 2.513 167 S HA 0.480 4.948 4.470 -0.004 0.000 0.276 167 S C 1.169 175.800 174.600 0.051 0.000 1.254 167 S CA 0.309 58.542 58.200 0.054 0.000 1.053 167 S CB 0.744 63.975 63.200 0.051 0.000 0.958 167 S HN 1.785 nan 8.310 nan 0.000 0.491 168 G N 3.236 112.073 108.800 0.061 0.000 3.026 168 G HA2 0.118 4.075 3.960 -0.004 0.000 0.208 168 G HA3 0.118 4.075 3.960 -0.004 0.000 0.208 168 G C 0.799 175.737 174.900 0.062 0.000 1.169 168 G CA 0.270 45.411 45.100 0.069 0.000 0.788 168 G HN 0.703 nan 8.290 nan 0.000 0.533 169 T N 0.039 114.625 114.554 0.054 0.000 3.114 169 T HA 0.170 4.518 4.350 -0.004 0.000 0.240 169 T C 2.102 176.833 174.700 0.052 0.000 0.983 169 T CA -0.008 62.121 62.100 0.048 0.000 1.151 169 T CB 0.028 68.920 68.868 0.040 0.000 0.974 169 T HN 0.093 nan 8.240 nan 0.000 0.442 170 L N 0.492 121.745 121.223 0.050 0.000 2.477 170 L HA 0.319 4.657 4.340 -0.004 0.000 0.220 170 L C 2.093 178.997 176.870 0.058 0.000 1.106 170 L CA 0.619 55.493 54.840 0.058 0.000 0.851 170 L CB -0.252 41.837 42.059 0.049 0.000 0.994 170 L HN 0.586 nan 8.230 nan 0.000 0.462 171 G N 0.132 108.950 108.800 0.030 0.000 2.225 171 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.254 171 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.254 171 G C 0.699 175.586 174.900 -0.022 0.000 0.988 171 G CA -0.052 45.035 45.100 -0.023 0.000 0.625 171 G HN 0.506 nan 8.290 nan 0.000 0.527 172 G N -0.217 108.592 108.800 0.016 0.000 2.398 172 G HA2 0.526 4.483 3.960 -0.004 0.000 0.246 172 G HA3 0.526 4.483 3.960 -0.004 0.000 0.246 172 G C 0.163 175.075 174.900 0.019 0.000 1.289 172 G CA 0.419 45.531 45.100 0.019 0.000 0.869 172 G HN 0.992 nan 8.290 nan 0.000 0.543 173 V N 2.840 122.764 119.914 0.017 0.000 2.406 173 V HA 0.287 4.405 4.120 -0.004 0.000 0.272 173 V C 1.034 177.150 176.094 0.036 0.000 1.043 173 V CA -0.507 61.811 62.300 0.029 0.000 0.915 173 V CB 0.913 32.749 31.823 0.023 0.000 0.988 173 V HN 0.999 nan 8.190 nan 0.000 0.466 174 T N 0.872 115.454 114.554 0.047 0.000 2.919 174 T HA 0.202 4.549 4.350 -0.004 0.000 0.302 174 T C -0.261 174.460 174.700 0.035 0.000 1.031 174 T CA -0.648 61.483 62.100 0.051 0.000 1.127 174 T CB 1.097 70.006 68.868 0.069 0.000 0.952 174 T HN 0.629 nan 8.240 nan 0.000 0.540 175 D N 2.217 122.641 120.400 0.040 0.000 2.396 175 D HA 0.235 4.872 4.640 -0.004 0.000 0.225 175 D C 0.442 176.738 176.300 -0.007 0.000 1.121 175 D CA -0.703 53.309 54.000 0.021 0.000 0.853 175 D CB 0.397 41.217 40.800 0.034 0.000 1.043 175 D HN 0.595 nan 8.370 nan 0.000 0.500 176 L N 3.530 124.712 121.223 -0.070 0.000 2.693 176 L HA 0.241 4.579 4.340 -0.004 0.000 0.235 176 L C 2.214 178.966 176.870 -0.197 0.000 1.127 176 L CA -0.315 54.414 54.840 -0.185 0.000 0.914 176 L CB 0.264 42.209 42.059 -0.190 0.000 1.193 176 L HN 0.213 nan 8.230 nan 0.000 0.502 177 R N 1.082 121.516 120.500 -0.111 0.000 2.103 177 R HA -0.187 4.151 4.340 -0.004 0.000 0.234 177 R C 2.442 178.678 176.300 -0.108 0.000 1.132 177 R CA 1.895 57.942 56.100 -0.088 0.000 0.925 177 R CB -0.538 29.739 30.300 -0.040 0.000 0.842 177 R HN 0.333 nan 8.270 nan 0.000 0.430 178 A N 1.565 124.335 122.820 -0.084 0.000 1.902 178 A HA -0.207 4.111 4.320 -0.004 0.000 0.217 178 A C 2.265 179.756 177.584 -0.154 0.000 1.181 178 A CA 1.888 53.885 52.037 -0.067 0.000 0.623 178 A CB -0.510 18.498 19.000 0.014 0.000 0.818 178 A HN 0.442 nan 8.150 nan 0.000 0.443 179 M N -0.721 118.688 119.600 -0.318 0.000 2.159 179 M HA -0.064 4.413 4.480 -0.004 0.000 0.263 179 M C 1.657 177.664 176.300 -0.488 0.000 1.063 179 M CA 2.642 57.600 55.300 -0.570 0.000 1.110 179 M CB -1.837 29.884 32.600 -1.464 0.000 1.374 179 M HN 0.088 nan 8.290 nan 0.000 0.411 180 T N 0.687 114.981 114.554 -0.434 0.000 2.684 180 T HA -0.124 4.224 4.350 -0.004 0.000 0.267 180 T C 1.832 176.273 174.700 -0.431 0.000 1.036 180 T CA 2.006 63.829 62.100 -0.463 0.000 1.148 180 T CB -0.231 68.443 68.868 -0.323 0.000 0.863 180 T HN 0.337 nan 8.240 nan 0.000 0.436 181 K N 1.098 121.371 120.400 -0.211 0.000 2.020 181 K HA 0.005 4.323 4.320 -0.004 0.000 0.212 181 K C 2.115 178.660 176.600 -0.091 0.000 1.050 181 K CA 1.232 57.465 56.287 -0.090 0.000 0.929 181 K CB -0.835 31.639 32.500 -0.044 0.000 0.714 181 K HN 0.303 nan 8.250 nan 0.000 0.443 182 L N -0.167 120.986 121.223 -0.115 0.000 2.083 182 L HA -0.187 4.151 4.340 -0.004 0.000 0.209 182 L C 2.179 178.991 176.870 -0.097 0.000 1.083 182 L CA 0.840 55.638 54.840 -0.071 0.000 0.752 182 L CB -0.548 41.489 42.059 -0.036 0.000 0.899 182 L HN -0.015 nan 8.230 nan 0.000 0.433 183 V N -0.854 118.933 119.914 -0.212 0.000 2.295 183 V HA -0.282 3.836 4.120 -0.004 0.000 0.246 183 V C 2.538 178.558 176.094 -0.123 0.000 1.049 183 V CA 1.673 63.841 62.300 -0.221 0.000 1.024 183 V CB -0.780 30.817 31.823 -0.376 0.000 0.648 183 V HN 0.437 nan 8.190 nan 0.000 0.447 184 H N -0.096 118.925 119.070 -0.081 0.000 2.421 184 H HA -0.108 4.447 4.556 -0.003 0.000 0.298 184 H C 2.170 177.470 175.328 -0.046 0.000 1.087 184 H CA 1.413 57.424 56.048 -0.062 0.000 1.330 184 H CB -0.461 29.266 29.762 -0.058 0.000 1.388 184 H HN 0.428 nan 8.280 nan 0.000 0.526 185 D N 0.260 120.700 120.400 0.067 0.000 2.182 185 D HA -0.112 4.526 4.640 -0.004 0.000 0.201 185 D C 1.917 178.230 176.300 0.022 0.000 0.986 185 D CA 1.232 55.252 54.000 0.034 0.000 0.847 185 D CB -0.001 40.810 40.800 0.018 0.000 0.942 185 D HN 0.407 nan 8.370 nan 0.000 0.467 186 V N -4.057 115.865 119.914 0.013 0.000 3.542 186 V HA 0.515 4.633 4.120 -0.004 0.000 0.296 186 V C 1.264 177.354 176.094 -0.006 0.000 1.364 186 V CA 0.397 62.700 62.300 0.005 0.000 1.118 186 V CB 0.080 31.906 31.823 0.005 0.000 0.972 186 V HN 0.160 nan 8.190 nan 0.000 0.430 187 G N 0.122 108.925 108.800 0.005 0.000 2.160 187 G HA2 -0.043 3.915 3.960 -0.004 0.000 0.244 187 G HA3 -0.043 3.915 3.960 -0.004 0.000 0.244 187 G C 0.303 175.188 174.900 -0.026 0.000 1.022 187 G CA 0.399 45.493 45.100 -0.009 0.000 0.741 187 G HN 1.597 nan 8.290 nan 0.000 0.508 188 A N -0.646 122.165 122.820 -0.014 0.000 2.252 188 A HA 0.865 5.183 4.320 -0.004 0.000 0.305 188 A C 0.446 178.031 177.584 0.001 0.000 1.097 188 A CA -0.533 51.476 52.037 -0.047 0.000 0.849 188 A CB 0.816 19.769 19.000 -0.079 0.000 1.142 188 A HN 0.724 nan 8.150 nan 0.000 0.499 189 L N 0.899 122.103 121.223 -0.031 0.000 2.322 189 L HA 0.436 4.773 4.340 -0.004 0.000 0.279 189 L C -0.864 175.954 176.870 -0.086 0.000 1.036 189 L CA -0.757 54.088 54.840 0.009 0.000 0.807 189 L CB 1.692 43.787 42.059 0.060 0.000 1.226 189 L HN 0.404 nan 8.230 nan 0.000 0.433 190 V N 4.100 123.971 119.914 -0.071 0.000 2.347 190 V HA 0.279 4.396 4.120 -0.004 0.000 0.280 190 V C 0.028 176.043 176.094 -0.132 0.000 1.021 190 V CA -0.565 61.633 62.300 -0.170 0.000 0.847 190 V CB 1.743 33.432 31.823 -0.224 0.000 0.990 190 V HN 0.402 nan 8.190 nan 0.000 0.444 191 V N 6.139 125.947 119.914 -0.177 0.000 2.347 191 V HA 0.402 4.520 4.120 -0.004 0.000 0.280 191 V C -0.085 175.946 176.094 -0.105 0.000 1.021 191 V CA -0.521 61.703 62.300 -0.126 0.000 0.847 191 V CB 1.761 33.528 31.823 -0.094 0.000 0.990 191 V HN 0.597 nan 8.190 nan 0.000 0.444 192 V N 3.881 123.751 119.914 -0.074 0.000 2.347 192 V HA 0.329 4.447 4.120 -0.004 0.000 0.280 192 V C -0.176 175.933 176.094 0.025 0.000 1.021 192 V CA -0.543 61.735 62.300 -0.037 0.000 0.847 192 V CB 1.788 33.578 31.823 -0.055 0.000 0.990 192 V HN 0.882 nan 8.190 nan 0.000 0.444 193 D N 2.832 123.268 120.400 0.060 0.000 2.336 193 D HA 0.131 4.769 4.640 -0.004 0.000 0.249 193 D C 0.524 176.914 176.300 0.150 0.000 1.213 193 D CA 0.091 54.151 54.000 0.099 0.000 0.870 193 D CB 0.739 41.596 40.800 0.095 0.000 1.076 193 D HN 0.610 nan 8.370 nan 0.000 0.483 194 H N 1.805 120.904 119.070 0.049 0.000 2.549 194 H HA 0.256 4.809 4.556 -0.004 0.000 0.279 194 H C 1.255 176.647 175.328 0.106 0.000 1.018 194 H CA 0.242 56.329 56.048 0.066 0.000 1.175 194 H CB 0.468 30.263 29.762 0.054 0.000 1.485 194 H HN 0.226 nan 8.280 nan 0.000 0.543 195 S N -0.370 115.368 115.700 0.062 0.000 2.383 195 S HA -0.168 4.300 4.470 -0.004 0.000 0.229 195 S C 2.307 176.915 174.600 0.013 0.000 1.030 195 S CA 1.018 59.246 58.200 0.047 0.000 1.002 195 S CB -0.225 63.009 63.200 0.055 0.000 0.829 195 S HN 0.646 nan 8.310 nan 0.000 0.467 196 A N 1.053 123.880 122.820 0.011 0.000 1.929 196 A HA 0.327 4.645 4.320 -0.004 0.000 0.216 196 A C 2.213 179.831 177.584 0.057 0.000 1.176 196 A CA 1.371 53.437 52.037 0.048 0.000 0.628 196 A CB -0.681 18.359 19.000 0.067 0.000 0.816 196 A HN 0.505 nan 8.150 nan 0.000 0.444 197 A N -0.630 122.147 122.820 -0.072 0.000 2.081 197 A HA 0.464 4.782 4.320 -0.004 0.000 0.214 197 A C 2.293 179.748 177.584 -0.216 0.000 1.158 197 A CA 1.190 53.195 52.037 -0.055 0.000 0.724 197 A CB -0.649 18.317 19.000 -0.057 0.000 0.826 197 A HN 0.884 nan 8.150 nan 0.000 0.463 198 A N 1.099 123.651 122.820 -0.447 0.000 1.948 198 A HA -0.078 4.240 4.320 -0.004 0.000 0.220 198 A C 0.037 177.550 177.584 -0.118 0.000 1.177 198 A CA 1.925 53.795 52.037 -0.278 0.000 0.636 198 A CB -1.600 17.423 19.000 0.038 0.000 0.815 198 A HN 0.444 nan 8.150 nan 0.000 0.449 199 P HA -0.097 nan 4.420 nan 0.000 0.225 199 P C 0.352 177.483 177.300 -0.281 0.000 1.148 199 P CA 1.184 64.148 63.100 -0.225 0.000 0.779 199 P CB -0.109 31.261 31.700 -0.550 0.000 0.780 200 Y N -2.178 118.152 120.300 0.050 0.000 2.638 200 Y HA 0.302 4.850 4.550 -0.003 0.000 0.275 200 Y C 1.094 177.006 175.900 0.020 0.000 1.122 200 Y CA -0.370 57.746 58.100 0.027 0.000 1.266 200 Y CB 0.602 39.029 38.460 -0.054 0.000 1.317 200 Y HN -0.345 nan 8.280 nan 0.000 0.501 201 R N 0.713 121.322 120.500 0.183 0.000 2.686 201 R HA 0.521 4.859 4.340 -0.004 0.000 0.283 201 R C -1.517 174.897 176.300 0.191 0.000 0.978 201 R CA -0.719 55.475 56.100 0.157 0.000 0.897 201 R CB 2.220 32.623 30.300 0.173 0.000 1.192 201 R HN -0.040 nan 8.270 nan 0.000 0.457 202 L N 3.212 124.500 121.223 0.109 0.000 2.349 202 L HA 0.375 4.713 4.340 -0.004 0.000 0.275 202 L C -0.186 176.688 176.870 0.008 0.000 1.115 202 L CA -0.477 54.408 54.840 0.076 0.000 0.820 202 L CB 0.766 42.827 42.059 0.005 0.000 1.135 202 L HN 0.400 nan 8.230 nan 0.000 0.445 203 L N 3.307 124.434 121.223 -0.160 0.000 2.282 203 L HA 0.346 4.684 4.340 -0.004 0.000 0.288 203 L C -0.496 176.264 176.870 -0.183 0.000 1.033 203 L CA -0.449 54.189 54.840 -0.337 0.000 0.807 203 L CB 1.281 42.826 42.059 -0.855 0.000 1.209 203 L HN 0.508 nan 8.230 nan 0.000 0.423 204 D N 4.969 125.297 120.400 -0.120 0.000 2.428 204 D HA 0.083 4.720 4.640 -0.004 0.000 0.221 204 D C 0.965 177.221 176.300 -0.074 0.000 1.123 204 D CA 0.021 53.975 54.000 -0.077 0.000 0.869 204 D CB 1.132 41.902 40.800 -0.050 0.000 1.032 204 D HN 0.657 nan 8.370 nan 0.000 0.506 205 I N 3.827 124.357 120.570 -0.066 0.000 2.454 205 I HA -0.209 3.959 4.170 -0.004 0.000 0.254 205 I C 1.903 178.002 176.117 -0.030 0.000 1.156 205 I CA 0.634 61.903 61.300 -0.052 0.000 1.433 205 I CB 0.278 38.255 38.000 -0.038 0.000 1.082 205 I HN 0.254 nan 8.210 nan 0.000 0.432 206 R N 0.438 120.923 120.500 -0.024 0.000 2.090 206 R HA -0.100 4.238 4.340 -0.004 0.000 0.228 206 R C 1.934 178.224 176.300 -0.017 0.000 1.110 206 R CA 1.174 57.264 56.100 -0.016 0.000 0.973 206 R CB -0.598 29.695 30.300 -0.013 0.000 0.869 206 R HN 0.499 nan 8.270 nan 0.000 0.440 207 E N 0.013 120.199 120.200 -0.025 0.000 2.076 207 E HA -0.098 4.250 4.350 -0.004 0.000 0.190 207 E C 1.824 178.408 176.600 -0.027 0.000 0.979 207 E CA 1.702 58.088 56.400 -0.024 0.000 0.807 207 E CB 0.040 29.724 29.700 -0.026 0.000 0.761 207 E HN 0.421 nan 8.360 nan 0.000 0.454 208 T N -1.743 112.788 114.554 -0.039 0.000 3.023 208 T HA -0.078 4.270 4.350 -0.004 0.000 0.266 208 T C 0.481 175.165 174.700 -0.027 0.000 1.093 208 T CA 0.803 62.874 62.100 -0.048 0.000 1.129 208 T CB 0.040 68.863 68.868 -0.075 0.000 0.899 208 T HN -0.020 nan 8.240 nan 0.000 0.491 209 D N 0.878 121.278 120.400 -0.000 0.000 3.076 209 D HA -0.128 4.510 4.640 -0.004 0.000 0.218 209 D C 0.348 176.716 176.300 0.113 0.000 1.156 209 D CA 0.918 54.954 54.000 0.061 0.000 0.921 209 D CB -1.815 39.051 40.800 0.109 0.000 1.113 209 D HN 0.885 nan 8.370 nan 0.000 0.418 210 A N 0.532 123.360 122.820 0.014 0.000 2.498 210 A HA 0.122 4.440 4.320 -0.004 0.000 0.239 210 A C 1.327 178.926 177.584 0.024 0.000 1.068 210 A CA 0.424 52.456 52.037 -0.010 0.000 0.766 210 A CB 0.480 19.438 19.000 -0.071 0.000 1.003 210 A HN 0.044 nan 8.150 nan 0.000 0.497 211 D N 0.419 120.846 120.400 0.045 0.000 2.137 211 D HA 0.030 4.668 4.640 -0.004 0.000 0.202 211 D C 0.112 176.386 176.300 -0.043 0.000 0.970 211 D CA 1.537 55.571 54.000 0.055 0.000 0.837 211 D CB 0.137 41.005 40.800 0.113 0.000 0.981 211 D HN 0.269 nan 8.370 nan 0.000 0.475 212 V N 1.166 120.997 119.914 -0.138 0.000 2.686 212 V HA 0.344 4.462 4.120 -0.004 0.000 0.306 212 V C -0.297 175.677 176.094 -0.200 0.000 1.065 212 V CA -0.800 61.301 62.300 -0.331 0.000 0.894 212 V CB 2.883 34.420 31.823 -0.477 0.000 1.004 212 V HN -0.254 nan 8.190 nan 0.000 0.424 213 V N 3.123 122.927 119.914 -0.183 0.000 2.588 213 V HA 0.710 4.828 4.120 -0.004 0.000 0.304 213 V C 0.068 176.136 176.094 -0.042 0.000 1.042 213 V CA -0.426 61.827 62.300 -0.079 0.000 0.877 213 V CB 2.465 34.253 31.823 -0.059 0.000 0.996 213 V HN 1.047 nan 8.190 nan 0.000 0.425 214 T N 1.694 116.261 114.554 0.022 0.000 2.888 214 T HA 0.892 5.240 4.350 -0.004 0.000 0.284 214 T C -0.537 174.238 174.700 0.126 0.000 1.017 214 T CA -0.685 61.446 62.100 0.052 0.000 1.022 214 T CB 1.802 70.692 68.868 0.036 0.000 1.013 214 T HN 1.001 nan 8.240 nan 0.000 0.465 215 V N -0.743 119.254 119.914 0.137 0.000 3.159 215 V HA 0.853 4.971 4.120 -0.004 0.000 0.308 215 V C -1.442 174.721 176.094 0.115 0.000 1.190 215 V CA -1.151 61.268 62.300 0.198 0.000 1.037 215 V CB 2.138 34.174 31.823 0.355 0.000 1.060 215 V HN 0.887 nan 8.190 nan 0.000 0.437 216 N N 0.623 119.350 118.700 0.045 0.000 2.504 216 N HA 0.740 5.478 4.740 -0.004 0.000 0.280 216 N C 0.556 175.768 175.510 -0.496 0.000 1.052 216 N CA 0.193 53.167 53.050 -0.126 0.000 0.887 216 N CB 2.040 40.482 38.487 -0.076 0.000 1.323 216 N HN 1.056 nan 8.380 nan 0.000 0.509 217 A N 2.074 124.494 122.820 -0.665 0.000 2.019 217 A HA -0.207 4.111 4.320 -0.004 0.000 0.219 217 A C 1.864 178.740 177.584 -1.181 0.000 1.164 217 A CA 1.230 52.404 52.037 -1.438 0.000 0.644 217 A CB -0.772 17.856 19.000 -0.619 0.000 0.805 217 A HN 0.874 nan 8.150 nan 0.000 0.449 218 H N 0.234 118.925 119.070 -0.630 0.000 2.426 218 H HA -0.163 4.391 4.556 -0.004 0.000 0.298 218 H C 2.198 177.313 175.328 -0.354 0.000 1.107 218 H CA 1.613 57.424 56.048 -0.395 0.000 1.298 218 H CB -0.140 29.478 29.762 -0.240 0.000 1.377 218 H HN 0.445 nan 8.280 nan 0.000 0.519 219 A N 1.090 123.737 122.820 -0.288 0.000 1.940 219 A HA -0.205 4.112 4.320 -0.004 0.000 0.219 219 A C 1.870 179.411 177.584 -0.072 0.000 1.176 219 A CA 1.562 53.522 52.037 -0.129 0.000 0.631 219 A CB -1.135 17.854 19.000 -0.017 0.000 0.814 219 A HN 0.765 nan 8.150 nan 0.000 0.446 220 W N -2.347 118.924 121.300 -0.047 0.000 3.223 220 W HA 0.511 5.168 4.660 -0.004 0.000 0.389 220 W C 0.779 177.298 176.519 -0.001 0.000 1.118 220 W CA -0.346 56.998 57.345 -0.001 0.000 1.902 220 W CB -0.574 28.919 29.460 0.054 0.000 1.094 220 W HN 0.699 nan 8.180 nan 0.000 0.666 221 G N 0.221 108.919 108.800 -0.170 0.000 2.141 221 G HA2 -0.158 3.800 3.960 -0.004 0.000 0.242 221 G HA3 -0.158 3.800 3.960 -0.004 0.000 0.242 221 G C 0.696 175.464 174.900 -0.219 0.000 0.982 221 G CA -0.216 44.781 45.100 -0.172 0.000 0.662 221 G HN 0.825 nan 8.290 nan 0.000 0.527 222 G N 0.016 108.589 108.800 -0.379 0.000 2.621 222 G HA2 0.621 4.578 3.960 -0.004 0.000 0.271 222 G HA3 0.621 4.578 3.960 -0.004 0.000 0.271 222 G C -1.677 173.087 174.900 -0.228 0.000 1.236 222 G CA -0.469 44.465 45.100 -0.277 0.000 0.958 222 G HN 0.268 nan 8.290 nan 0.000 0.512 223 P HA 0.205 nan 4.420 nan 0.000 0.272 223 P C -2.435 174.826 177.300 -0.065 0.000 1.240 223 P CA -1.451 61.605 63.100 -0.072 0.000 0.791 223 P CB 0.183 31.860 31.700 -0.039 0.000 0.978 224 P HA 0.175 nan 4.420 nan 0.000 0.263 224 P C -0.742 176.518 177.300 -0.068 0.000 1.601 224 P CA 0.775 63.848 63.100 -0.044 0.000 1.161 224 P CB -0.292 31.365 31.700 -0.073 0.000 1.730 225 I N 1.997 122.521 120.570 -0.078 0.000 2.619 225 I HA 0.455 4.622 4.170 -0.004 0.000 0.292 225 I C 0.685 176.769 176.117 -0.055 0.000 1.100 225 I CA -0.665 60.605 61.300 -0.049 0.000 1.043 225 I CB 2.269 40.259 38.000 -0.018 0.000 1.239 225 I HN 0.188 nan 8.210 nan 0.000 0.420 226 G N 3.417 112.202 108.800 -0.026 0.000 2.471 226 G HA2 0.823 4.781 3.960 -0.004 0.000 0.332 226 G HA3 0.823 4.781 3.960 -0.004 0.000 0.332 226 G C -1.218 173.704 174.900 0.036 0.000 1.176 226 G CA -0.496 44.600 45.100 -0.006 0.000 0.949 226 G HN 0.771 nan 8.290 nan 0.000 0.488 227 A N 0.475 123.332 122.820 0.061 0.000 2.475 227 A HA 0.779 5.097 4.320 -0.004 0.000 0.301 227 A C -0.763 176.856 177.584 0.059 0.000 1.059 227 A CA -0.661 51.423 52.037 0.078 0.000 0.710 227 A CB 1.900 20.966 19.000 0.110 0.000 1.288 227 A HN 0.920 nan 8.150 nan 0.000 0.408 228 M N 2.923 122.554 119.600 0.053 0.000 2.197 228 M HA 0.607 5.085 4.480 -0.004 0.000 0.301 228 M C -2.033 174.267 176.300 -0.001 0.000 0.987 228 M CA -0.469 54.821 55.300 -0.016 0.000 0.921 228 M CB 1.497 34.079 32.600 -0.030 0.000 1.569 228 M HN 0.402 nan 8.290 nan 0.000 0.431 229 V N 5.605 125.466 119.914 -0.089 0.000 2.448 229 V HA 0.510 4.628 4.120 -0.004 0.000 0.295 229 V C -0.961 175.058 176.094 -0.125 0.000 1.025 229 V CA -0.447 61.853 62.300 0.000 0.000 0.859 229 V CB 1.530 33.367 31.823 0.023 0.000 0.988 229 V HN 0.707 nan 8.190 nan 0.000 0.431 230 F N 3.434 123.398 119.950 0.023 0.000 2.415 230 F HA 0.505 5.031 4.527 -0.003 0.000 0.348 230 F C 1.355 177.171 175.800 0.026 0.000 1.119 230 F CA -0.509 57.510 58.000 0.031 0.000 1.069 230 F CB 1.421 40.447 39.000 0.044 0.000 1.124 230 F HN 0.416 nan 8.300 nan 0.000 0.472 231 R N 0.658 121.246 120.500 0.146 0.000 2.096 231 R HA -0.136 4.202 4.340 -0.004 0.000 0.235 231 R C -0.270 176.091 176.300 0.103 0.000 1.127 231 R CA 1.435 57.589 56.100 0.090 0.000 0.968 231 R CB 0.032 30.360 30.300 0.047 0.000 0.861 231 R HN 0.617 nan 8.270 nan 0.000 0.440 232 D N -1.312 119.176 120.400 0.148 0.000 2.421 232 D HA 0.204 4.841 4.640 -0.004 0.000 0.254 232 D C -2.119 174.245 176.300 0.108 0.000 1.238 232 D CA -2.529 51.530 54.000 0.098 0.000 0.919 232 D CB 1.912 42.748 40.800 0.060 0.000 1.152 232 D HN -0.180 nan 8.370 nan 0.000 0.552 233 P HA -0.191 nan 4.420 nan 0.000 0.218 233 P C 1.331 178.619 177.300 -0.020 0.000 1.147 233 P CA 0.968 64.072 63.100 0.007 0.000 0.827 233 P CB 0.384 32.089 31.700 0.008 0.000 0.778 234 S N -1.267 114.433 115.700 0.001 0.000 2.368 234 S HA -0.103 4.365 4.470 -0.004 0.000 0.224 234 S C 1.871 176.467 174.600 -0.007 0.000 1.029 234 S CA 1.172 59.365 58.200 -0.012 0.000 0.988 234 S CB -0.998 62.195 63.200 -0.012 0.000 0.838 234 S HN -0.103 nan 8.310 nan 0.000 0.462 235 V N 2.272 122.211 119.914 0.041 0.000 2.343 235 V HA -0.177 3.941 4.120 -0.004 0.000 0.247 235 V C 2.513 178.689 176.094 0.135 0.000 1.051 235 V CA 2.219 64.581 62.300 0.102 0.000 1.036 235 V CB -0.697 31.259 31.823 0.221 0.000 0.654 235 V HN 0.598 nan 8.190 nan 0.000 0.451 236 M N 1.960 121.538 119.600 -0.037 0.000 2.082 236 M HA -0.253 4.224 4.480 -0.004 0.000 0.258 236 M C 1.854 178.062 176.300 -0.153 0.000 1.069 236 M CA 2.770 57.785 55.300 -0.474 0.000 1.102 236 M CB -0.432 31.724 32.600 -0.739 0.000 1.336 236 M HN 0.692 nan 8.290 nan 0.000 0.404 237 N N -0.607 118.038 118.700 -0.092 0.000 2.461 237 N HA -0.061 4.677 4.740 -0.004 0.000 0.188 237 N C 1.344 176.832 175.510 -0.038 0.000 1.134 237 N CA 0.885 53.904 53.050 -0.051 0.000 0.878 237 N CB -0.541 37.915 38.487 -0.052 0.000 0.972 237 N HN 0.401 nan 8.380 nan 0.000 0.456 238 S N -0.899 114.760 115.700 -0.067 0.000 2.522 238 S HA 0.075 4.543 4.470 -0.004 0.000 0.227 238 S C 0.204 174.655 174.600 -0.248 0.000 0.986 238 S CA -0.366 57.736 58.200 -0.164 0.000 0.929 238 S CB -0.602 62.462 63.200 -0.228 0.000 0.769 238 S HN 0.167 nan 8.310 nan 0.000 0.529 239 F N 2.133 122.048 119.950 -0.058 0.000 2.382 239 F HA 0.594 5.118 4.527 -0.005 0.000 0.331 239 F C 1.411 177.186 175.800 -0.040 0.000 1.121 239 F CA -0.335 57.645 58.000 -0.033 0.000 1.183 239 F CB 0.405 39.394 39.000 -0.018 0.000 1.207 239 F HN 0.129 nan 8.300 nan 0.000 0.555 240 G N 0.928 109.830 108.800 0.169 0.000 2.380 240 G HA2 0.279 4.236 3.960 -0.004 0.000 0.262 240 G HA3 0.279 4.236 3.960 -0.004 0.000 0.262 240 G C -0.341 174.602 174.900 0.071 0.000 1.243 240 G CA -0.508 44.641 45.100 0.082 0.000 0.865 240 G HN 0.630 nan 8.290 nan 0.000 0.513 241 S N 0.181 115.902 115.700 0.037 0.000 2.537 241 S HA 0.102 4.570 4.470 -0.004 0.000 0.286 241 S C 1.282 175.896 174.600 0.023 0.000 1.299 241 S CA -0.032 58.181 58.200 0.023 0.000 1.067 241 S CB 0.726 63.931 63.200 0.009 0.000 0.864 241 S HN 1.195 nan 8.310 nan 0.000 0.494 242 V N 2.567 122.491 119.914 0.018 0.000 3.477 242 V HA 0.392 4.510 4.120 -0.004 0.000 0.297 242 V C 0.763 176.859 176.094 0.004 0.000 1.433 242 V CA -0.082 62.226 62.300 0.012 0.000 1.052 242 V CB -0.219 31.610 31.823 0.009 0.000 0.895 242 V HN 0.698 nan 8.190 nan 0.000 0.438 243 S N 2.126 117.830 115.700 0.007 0.000 2.572 243 S HA 0.167 4.635 4.470 -0.004 0.000 0.279 243 S C 1.565 176.173 174.600 0.013 0.000 1.341 243 S CA 0.637 58.841 58.200 0.007 0.000 1.043 243 S CB 1.114 64.327 63.200 0.021 0.000 0.887 243 S HN 0.848 nan 8.310 nan 0.000 0.516 244 T N 1.463 116.023 114.554 0.010 0.000 3.118 244 T HA 0.062 4.410 4.350 -0.004 0.000 0.260 244 T C 0.600 175.324 174.700 0.040 0.000 1.139 244 T CA 0.054 62.165 62.100 0.019 0.000 1.085 244 T CB -0.350 68.523 68.868 0.008 0.000 0.934 244 T HN 0.467 nan 8.240 nan 0.000 0.518 245 N N 2.870 121.601 118.700 0.052 0.000 2.420 245 N HA 0.240 4.977 4.740 -0.004 0.000 0.249 245 N C -1.730 173.842 175.510 0.104 0.000 1.033 245 N CA -2.296 50.808 53.050 0.090 0.000 0.944 245 N CB 1.926 40.468 38.487 0.092 0.000 1.113 245 N HN 0.081 nan 8.380 nan 0.000 0.502 246 P HA -0.045 nan 4.420 nan 0.000 0.233 246 P C -0.009 177.292 177.300 0.001 0.000 1.167 246 P CA 0.871 64.009 63.100 0.064 0.000 0.770 246 P CB 0.070 31.810 31.700 0.066 0.000 0.837 247 Y N 0.309 120.616 120.300 0.011 0.000 2.746 247 Y HA 0.457 5.004 4.550 -0.004 0.000 0.312 247 Y C 1.166 177.076 175.900 0.015 0.000 1.117 247 Y CA -0.796 57.311 58.100 0.012 0.000 1.324 247 Y CB -0.529 37.939 38.460 0.013 0.000 1.173 247 Y HN -0.083 nan 8.280 nan 0.000 0.529 248 A N 0.680 123.566 122.820 0.111 0.000 2.363 248 A HA 0.599 4.916 4.320 -0.004 0.000 0.270 248 A C 0.459 178.072 177.584 0.048 0.000 1.121 248 A CA -0.052 52.033 52.037 0.080 0.000 0.800 248 A CB 0.067 19.103 19.000 0.059 0.000 1.052 248 A HN 0.311 nan 8.150 nan 0.000 0.493 249 T N -0.345 114.239 114.554 0.050 0.000 2.907 249 T HA 0.753 5.100 4.350 -0.004 0.000 0.292 249 T C 0.622 175.335 174.700 0.023 0.000 1.043 249 T CA 0.206 62.323 62.100 0.028 0.000 1.003 249 T CB 1.240 70.128 68.868 0.033 0.000 1.084 249 T HN 2.550 nan 8.240 nan 0.000 0.483 250 G N 2.913 111.715 108.800 0.003 0.000 2.566 250 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.280 250 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.280 250 G C -1.583 173.310 174.900 -0.012 0.000 1.225 250 G CA 0.072 45.168 45.100 -0.006 0.000 0.966 250 G HN 0.777 nan 8.290 nan 0.000 0.560 251 P HA 0.076 nan 4.420 nan 0.000 0.223 251 P C 1.942 179.271 177.300 0.048 0.000 1.151 251 P CA 2.583 65.693 63.100 0.017 0.000 0.787 251 P CB -0.428 31.307 31.700 0.057 0.000 0.788 252 A N 0.982 123.842 122.820 0.068 0.000 2.032 252 A HA -0.215 4.102 4.320 -0.004 0.000 0.221 252 A C 2.304 179.921 177.584 0.055 0.000 1.165 252 A CA 1.297 53.389 52.037 0.092 0.000 0.645 252 A CB -1.149 17.910 19.000 0.098 0.000 0.807 252 A HN 0.138 nan 8.150 nan 0.000 0.453 253 R N -0.822 119.694 120.500 0.027 0.000 2.152 253 R HA -0.002 4.335 4.340 -0.004 0.000 0.232 253 R C 0.856 177.160 176.300 0.007 0.000 1.117 253 R CA 1.106 57.212 56.100 0.012 0.000 0.981 253 R CB -0.330 29.966 30.300 -0.006 0.000 0.870 253 R HN 0.491 nan 8.270 nan 0.000 0.451 254 L N 0.726 121.951 121.223 0.004 0.000 2.741 254 L HA 0.190 4.527 4.340 -0.004 0.000 0.237 254 L C -0.393 176.484 176.870 0.012 0.000 1.178 254 L CA 0.015 54.856 54.840 0.003 0.000 0.973 254 L CB 0.245 42.296 42.059 -0.014 0.000 1.255 254 L HN 0.050 nan 8.230 nan 0.000 0.498 255 E N 1.234 121.439 120.200 0.008 0.000 2.176 255 E HA 0.515 4.863 4.350 -0.004 0.000 0.267 255 E C -0.768 175.781 176.600 -0.085 0.000 0.893 255 E CA -0.374 56.007 56.400 -0.032 0.000 0.761 255 E CB 2.540 32.246 29.700 0.009 0.000 1.133 255 E HN 0.130 nan 8.360 nan 0.000 0.409 256 I N 2.373 122.878 120.570 -0.109 0.000 2.404 256 I HA 0.597 4.765 4.170 -0.004 0.000 0.293 256 I C 0.493 176.519 176.117 -0.152 0.000 0.992 256 I CA -0.394 60.845 61.300 -0.101 0.000 1.149 256 I CB 1.695 39.656 38.000 -0.064 0.000 1.315 256 I HN 0.722 nan 8.210 nan 0.000 0.446 257 G N 3.798 112.514 108.800 -0.139 0.000 2.662 257 G HA2 -0.101 3.856 3.960 -0.004 0.000 0.686 257 G HA3 -0.101 3.856 3.960 -0.004 0.000 0.686 257 G C -0.785 173.987 174.900 -0.212 0.000 1.271 257 G CA -1.204 43.809 45.100 -0.145 0.000 0.816 257 G HN 0.465 nan 8.290 nan 0.000 0.608 258 V N 3.317 123.139 119.914 -0.154 0.000 2.540 258 V HA 0.123 4.241 4.120 -0.004 0.000 0.297 258 V C 1.286 177.199 176.094 -0.302 0.000 1.024 258 V CA -0.175 62.029 62.300 -0.159 0.000 1.105 258 V CB 0.679 32.461 31.823 -0.069 0.000 0.938 258 V HN 0.692 nan 8.190 nan 0.000 0.482 259 H N 4.096 122.922 119.070 -0.407 0.000 2.871 259 H HA 0.107 4.660 4.556 -0.004 0.000 0.355 259 H C 0.387 175.193 175.328 -0.871 0.000 1.092 259 H CA 0.443 56.105 56.048 -0.645 0.000 1.420 259 H CB 0.610 29.936 29.762 -0.726 0.000 1.400 259 H HN 0.629 nan 8.280 nan 0.000 0.604 260 Q N 4.016 123.618 119.800 -0.329 0.000 2.810 260 Q HA 0.100 4.438 4.340 -0.004 0.000 0.236 260 Q C 0.654 176.591 176.000 -0.105 0.000 1.278 260 Q CA -0.319 55.375 55.803 -0.183 0.000 1.065 260 Q CB 0.045 28.753 28.738 -0.051 0.000 1.364 260 Q HN 0.583 nan 8.270 nan 0.000 0.570 261 F N 0.198 120.217 119.950 0.116 0.000 2.126 261 F HA -0.199 4.325 4.527 -0.004 0.000 0.299 261 F C 2.285 178.137 175.800 0.087 0.000 1.096 261 F CA 1.112 59.157 58.000 0.076 0.000 1.255 261 F CB -0.236 38.790 39.000 0.042 0.000 0.997 261 F HN 0.569 nan 8.300 nan 0.000 0.479 262 G N 0.562 109.550 108.800 0.314 0.000 2.446 262 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.217 262 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.217 262 G C 1.675 176.682 174.900 0.179 0.000 1.168 262 G CA 0.986 46.258 45.100 0.287 0.000 0.771 262 G HN 0.299 nan 8.290 nan 0.000 0.551 263 L N -0.062 121.241 121.223 0.132 0.000 2.093 263 L HA 0.043 4.381 4.340 -0.004 0.000 0.208 263 L C 2.925 179.833 176.870 0.064 0.000 1.085 263 L CA 0.378 55.257 54.840 0.064 0.000 0.755 263 L CB -0.475 41.599 42.059 0.025 0.000 0.904 263 L HN 0.186 nan 8.230 nan 0.000 0.435 264 L N -0.021 121.248 121.223 0.077 0.000 2.079 264 L HA -0.240 4.097 4.340 -0.004 0.000 0.210 264 L C 2.916 179.840 176.870 0.090 0.000 1.081 264 L CA 1.276 56.161 54.840 0.075 0.000 0.752 264 L CB -0.801 41.301 42.059 0.073 0.000 0.896 264 L HN 0.270 nan 8.230 nan 0.000 0.433 265 A N 0.381 123.266 122.820 0.107 0.000 1.902 265 A HA -0.130 4.188 4.320 -0.004 0.000 0.217 265 A C 2.425 180.056 177.584 0.078 0.000 1.181 265 A CA 1.710 53.802 52.037 0.092 0.000 0.623 265 A CB -1.222 17.835 19.000 0.095 0.000 0.818 265 A HN 0.448 nan 8.150 nan 0.000 0.443 266 G N -0.513 108.330 108.800 0.071 0.000 2.442 266 G HA2 -0.128 3.829 3.960 -0.004 0.000 0.219 266 G HA3 -0.128 3.829 3.960 -0.004 0.000 0.219 266 G C 1.501 176.445 174.900 0.074 0.000 1.141 266 G CA 1.230 46.362 45.100 0.054 0.000 0.763 266 G HN 0.319 nan 8.290 nan 0.000 0.554 267 V N 0.615 120.580 119.914 0.084 0.000 2.287 267 V HA -0.208 3.910 4.120 -0.004 0.000 0.248 267 V C 3.052 179.250 176.094 0.173 0.000 1.053 267 V CA 1.680 64.060 62.300 0.133 0.000 1.027 267 V CB -0.556 31.336 31.823 0.115 0.000 0.646 267 V HN 0.266 nan 8.190 nan 0.000 0.447 268 V N 0.406 120.393 119.914 0.123 0.000 2.287 268 V HA -0.310 3.808 4.120 -0.004 0.000 0.248 268 V C 2.721 178.882 176.094 0.111 0.000 1.053 268 V CA 2.229 64.592 62.300 0.106 0.000 1.027 268 V CB -1.302 30.567 31.823 0.077 0.000 0.646 268 V HN 0.575 nan 8.190 nan 0.000 0.447 269 A N 0.706 123.587 122.820 0.102 0.000 1.933 269 A HA -0.220 4.098 4.320 -0.004 0.000 0.218 269 A C 2.552 180.225 177.584 0.149 0.000 1.175 269 A CA 2.364 54.460 52.037 0.099 0.000 0.628 269 A CB -0.764 18.276 19.000 0.066 0.000 0.814 269 A HN 0.714 nan 8.150 nan 0.000 0.444 270 S N -0.145 115.673 115.700 0.196 0.000 2.402 270 S HA -0.071 4.397 4.470 -0.004 0.000 0.229 270 S C 1.828 176.648 174.600 0.367 0.000 1.021 270 S CA 1.361 59.759 58.200 0.331 0.000 0.974 270 S CB -0.647 62.811 63.200 0.429 0.000 0.800 270 S HN 0.478 nan 8.310 nan 0.000 0.484 271 I N 1.625 122.346 120.570 0.252 0.000 2.406 271 I HA -0.053 4.114 4.170 -0.004 0.000 0.249 271 I C 2.738 178.872 176.117 0.029 0.000 1.122 271 I CA 0.960 62.294 61.300 0.057 0.000 1.431 271 I CB -0.298 37.731 38.000 0.048 0.000 1.087 271 I HN 0.249 nan 8.210 nan 0.000 0.424 272 E N 0.474 120.719 120.200 0.076 0.000 2.085 272 E HA -0.278 4.070 4.350 -0.004 0.000 0.194 272 E C 2.006 178.642 176.600 0.060 0.000 0.994 272 E CA 1.493 57.923 56.400 0.051 0.000 0.801 272 E CB -0.509 29.227 29.700 0.059 0.000 0.743 272 E HN 0.572 nan 8.360 nan 0.000 0.453 273 Y N 1.645 121.938 120.300 -0.012 0.000 2.128 273 Y HA -0.210 4.338 4.550 -0.004 0.000 0.284 273 Y C 2.236 178.089 175.900 -0.077 0.000 1.154 273 Y CA 1.516 59.603 58.100 -0.022 0.000 1.149 273 Y CB -0.391 38.084 38.460 0.025 0.000 0.976 273 Y HN -0.072 nan 8.280 nan 0.000 0.505 274 L N -0.083 121.091 121.223 -0.081 0.000 2.083 274 L HA -0.223 4.115 4.340 -0.004 0.000 0.209 274 L C 2.759 179.482 176.870 -0.245 0.000 1.083 274 L CA 1.189 55.860 54.840 -0.282 0.000 0.752 274 L CB -0.990 40.875 42.059 -0.324 0.000 0.899 274 L HN 0.388 nan 8.230 nan 0.000 0.433 275 A N -0.287 122.439 122.820 -0.157 0.000 2.067 275 A HA 0.042 4.360 4.320 -0.004 0.000 0.219 275 A C 2.113 179.628 177.584 -0.116 0.000 1.158 275 A CA 1.413 53.380 52.037 -0.115 0.000 0.661 275 A CB -0.374 18.582 19.000 -0.072 0.000 0.801 275 A HN 0.386 nan 8.150 nan 0.000 0.452 276 A N -0.964 121.764 122.820 -0.153 0.000 2.423 276 A HA 0.508 4.826 4.320 -0.004 0.000 0.246 276 A C 1.547 179.009 177.584 -0.202 0.000 1.278 276 A CA -0.211 51.739 52.037 -0.144 0.000 0.903 276 A CB -0.371 18.564 19.000 -0.109 0.000 0.997 276 A HN 0.383 nan 8.150 nan 0.000 0.510 277 L N -0.446 120.628 121.223 -0.249 0.000 2.079 277 L HA -0.111 4.227 4.340 -0.004 0.000 0.210 277 L C 0.717 177.528 176.870 -0.097 0.000 1.081 277 L CA 1.110 55.824 54.840 -0.210 0.000 0.752 277 L CB -0.065 41.910 42.059 -0.140 0.000 0.896 277 L HN 0.336 nan 8.230 nan 0.000 0.433 278 D N -0.102 120.270 120.400 -0.046 0.000 2.443 278 D HA 0.028 4.665 4.640 -0.004 0.000 0.221 278 D C 0.848 177.109 176.300 -0.065 0.000 1.097 278 D CA -0.011 53.972 54.000 -0.029 0.000 0.865 278 D CB 1.383 42.200 40.800 0.028 0.000 1.034 278 D HN 0.104 nan 8.370 nan 0.000 0.511 279 E N 1.385 121.529 120.200 -0.093 0.000 2.160 279 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 279 E C 1.376 177.944 176.600 -0.053 0.000 0.991 279 E CA 0.951 57.303 56.400 -0.080 0.000 0.810 279 E CB 0.303 29.951 29.700 -0.087 0.000 0.742 279 E HN 0.430 nan 8.360 nan 0.000 0.466 280 S N -0.361 115.313 115.700 -0.043 0.000 2.650 280 S HA 0.264 4.731 4.470 -0.004 0.000 0.219 280 S C 0.541 175.128 174.600 -0.020 0.000 0.960 280 S CA -0.041 58.142 58.200 -0.028 0.000 0.925 280 S CB 0.317 63.504 63.200 -0.022 0.000 0.775 280 S HN 0.295 nan 8.310 nan 0.000 0.525 281 A N 2.151 124.957 122.820 -0.023 0.000 2.477 281 A HA 0.521 4.839 4.320 -0.004 0.000 0.246 281 A C 0.530 178.103 177.584 -0.019 0.000 1.078 281 A CA -0.355 51.671 52.037 -0.019 0.000 0.770 281 A CB 0.284 19.270 19.000 -0.023 0.000 1.011 281 A HN 0.570 nan 8.150 nan 0.000 0.494 282 R N 0.900 121.391 120.500 -0.014 0.000 2.854 282 R HA 0.749 5.087 4.340 -0.004 0.000 0.271 282 R C 0.298 176.591 176.300 -0.012 0.000 0.996 282 R CA 0.187 56.279 56.100 -0.013 0.000 0.961 282 R CB 2.037 32.331 30.300 -0.010 0.000 1.182 282 R HN 1.631 nan 8.270 nan 0.000 0.479 283 G N 0.435 109.228 108.800 -0.011 0.000 2.396 283 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.254 283 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.254 283 G C -0.586 174.308 174.900 -0.011 0.000 1.248 283 G CA -0.391 44.703 45.100 -0.010 0.000 1.033 283 G HN 0.726 nan 8.290 nan 0.000 0.502 284 S N -0.362 115.332 115.700 -0.010 0.000 2.580 284 S HA 0.319 4.786 4.470 -0.004 0.000 0.266 284 S C 1.583 176.174 174.600 -0.014 0.000 1.354 284 S CA 0.858 59.052 58.200 -0.010 0.000 1.008 284 S CB 1.415 64.610 63.200 -0.008 0.000 0.898 284 S HN 1.129 nan 8.310 nan 0.000 0.555 285 R N 0.814 121.307 120.500 -0.013 0.000 2.103 285 R HA -0.152 4.186 4.340 -0.004 0.000 0.242 285 R C 2.601 178.886 176.300 -0.025 0.000 1.142 285 R CA 1.728 57.817 56.100 -0.019 0.000 0.960 285 R CB -0.318 29.974 30.300 -0.013 0.000 0.858 285 R HN 0.816 nan 8.270 nan 0.000 0.439 286 R N 0.403 120.891 120.500 -0.019 0.000 2.083 286 R HA -0.181 4.157 4.340 -0.004 0.000 0.237 286 R C 2.064 178.350 176.300 -0.023 0.000 1.137 286 R CA 2.240 58.327 56.100 -0.022 0.000 0.951 286 R CB -0.102 30.190 30.300 -0.014 0.000 0.851 286 R HN 0.387 nan 8.270 nan 0.000 0.434 287 E N -0.487 119.702 120.200 -0.018 0.000 2.051 287 E HA -0.184 4.164 4.350 -0.004 0.000 0.192 287 E C 2.179 178.767 176.600 -0.021 0.000 0.991 287 E CA 1.144 57.534 56.400 -0.017 0.000 0.799 287 E CB 0.025 29.718 29.700 -0.013 0.000 0.748 287 E HN 0.286 nan 8.360 nan 0.000 0.449 288 R N 0.340 120.825 120.500 -0.025 0.000 2.120 288 R HA -0.100 4.238 4.340 -0.004 0.000 0.234 288 R C 2.450 178.724 176.300 -0.043 0.000 1.123 288 R CA 0.736 56.817 56.100 -0.031 0.000 0.975 288 R CB -0.300 29.980 30.300 -0.034 0.000 0.866 288 R HN 0.199 nan 8.270 nan 0.000 0.446 289 L N 0.232 121.425 121.223 -0.050 0.000 2.042 289 L HA -0.217 4.121 4.340 -0.004 0.000 0.210 289 L C 2.694 179.534 176.870 -0.050 0.000 1.076 289 L CA 1.414 56.213 54.840 -0.068 0.000 0.749 289 L CB -0.571 41.442 42.059 -0.076 0.000 0.893 289 L HN 0.238 nan 8.230 nan 0.000 0.432 290 A N -0.439 122.361 122.820 -0.033 0.000 1.858 290 A HA -0.166 4.152 4.320 -0.004 0.000 0.216 290 A C 2.306 179.883 177.584 -0.012 0.000 1.190 290 A CA 1.998 54.023 52.037 -0.020 0.000 0.617 290 A CB -0.902 18.089 19.000 -0.015 0.000 0.827 290 A HN 0.189 nan 8.150 nan 0.000 0.443 291 V N -0.296 119.611 119.914 -0.012 0.000 2.295 291 V HA -0.216 3.902 4.120 -0.004 0.000 0.246 291 V C 2.798 178.895 176.094 0.004 0.000 1.049 291 V CA 2.380 64.679 62.300 -0.002 0.000 1.024 291 V CB -0.933 30.888 31.823 -0.003 0.000 0.648 291 V HN 0.545 nan 8.190 nan 0.000 0.447 292 S N -0.529 115.164 115.700 -0.012 0.000 2.368 292 S HA -0.148 4.319 4.470 -0.004 0.000 0.225 292 S C 1.991 176.592 174.600 0.001 0.000 1.030 292 S CA 1.521 59.717 58.200 -0.008 0.000 0.999 292 S CB -0.296 62.869 63.200 -0.059 0.000 0.844 292 S HN 0.383 nan 8.310 nan 0.000 0.459 293 M N 1.142 120.730 119.600 -0.019 0.000 2.175 293 M HA -0.084 4.394 4.480 -0.004 0.000 0.264 293 M C 2.323 178.636 176.300 0.023 0.000 1.063 293 M CA 1.274 56.575 55.300 0.001 0.000 1.119 293 M CB -1.284 31.310 32.600 -0.010 0.000 1.377 293 M HN 0.405 nan 8.290 nan 0.000 0.415 294 Q N -0.228 119.582 119.800 0.017 0.000 2.050 294 Q HA -0.180 4.158 4.340 -0.004 0.000 0.202 294 Q C 2.273 178.287 176.000 0.023 0.000 0.980 294 Q CA 2.328 58.143 55.803 0.020 0.000 0.840 294 Q CB -0.002 28.747 28.738 0.018 0.000 0.898 294 Q HN 0.449 nan 8.270 nan 0.000 0.424 295 S N -0.541 115.181 115.700 0.038 0.000 2.356 295 S HA -0.158 4.310 4.470 -0.004 0.000 0.223 295 S C 1.937 176.525 174.600 -0.020 0.000 1.032 295 S CA 1.281 59.520 58.200 0.064 0.000 1.005 295 S CB -0.374 62.904 63.200 0.130 0.000 0.867 295 S HN 0.526 nan 8.310 nan 0.000 0.449 296 A N 0.654 123.429 122.820 -0.074 0.000 1.898 296 A HA -0.070 4.247 4.320 -0.004 0.000 0.216 296 A C 1.919 179.409 177.584 -0.156 0.000 1.181 296 A CA 1.956 53.783 52.037 -0.350 0.000 0.620 296 A CB -1.161 17.820 19.000 -0.032 0.000 0.819 296 A HN 0.648 nan 8.150 nan 0.000 0.442 297 D N -0.368 120.017 120.400 -0.024 0.000 2.117 297 D HA -0.018 4.620 4.640 -0.004 0.000 0.197 297 D C 2.098 178.381 176.300 -0.029 0.000 0.987 297 D CA 1.431 55.428 54.000 -0.006 0.000 0.829 297 D CB -0.154 40.658 40.800 0.019 0.000 0.961 297 D HN 0.351 nan 8.370 nan 0.000 0.460 298 A N -0.441 122.372 122.820 -0.012 0.000 1.883 298 A HA -0.220 4.098 4.320 -0.004 0.000 0.217 298 A C 2.217 179.807 177.584 0.011 0.000 1.186 298 A CA 1.731 53.773 52.037 0.008 0.000 0.624 298 A CB -1.335 17.686 19.000 0.036 0.000 0.822 298 A HN 0.528 nan 8.150 nan 0.000 0.444 299 Y N 0.439 120.656 120.300 -0.139 0.000 2.114 299 Y HA -0.153 4.395 4.550 -0.003 0.000 0.284 299 Y C 1.976 177.823 175.900 -0.088 0.000 1.143 299 Y CA 1.940 59.960 58.100 -0.134 0.000 1.135 299 Y CB -0.362 37.904 38.460 -0.323 0.000 0.980 299 Y HN 0.195 nan 8.280 nan 0.000 0.499 300 L N 0.395 121.495 121.223 -0.205 0.000 2.131 300 L HA -0.242 4.096 4.340 -0.004 0.000 0.210 300 L C 2.345 179.130 176.870 -0.141 0.000 1.092 300 L CA 1.234 55.942 54.840 -0.220 0.000 0.759 300 L CB -0.697 41.307 42.059 -0.091 0.000 0.903 300 L HN 0.376 nan 8.230 nan 0.000 0.435 301 N N 0.363 119.007 118.700 -0.094 0.000 2.149 301 N HA -0.183 4.554 4.740 -0.004 0.000 0.188 301 N C 1.937 177.454 175.510 0.010 0.000 1.019 301 N CA 1.289 54.333 53.050 -0.011 0.000 0.857 301 N CB 0.007 38.488 38.487 -0.010 0.000 0.997 301 N HN 0.399 nan 8.380 nan 0.000 0.426 302 R N 0.282 120.737 120.500 -0.075 0.000 2.073 302 R HA 0.000 4.338 4.340 -0.004 0.000 0.229 302 R C 2.275 178.537 176.300 -0.065 0.000 1.120 302 R CA 0.760 56.819 56.100 -0.067 0.000 0.967 302 R CB -0.316 29.929 30.300 -0.092 0.000 0.862 302 R HN 0.041 nan 8.270 nan 0.000 0.436 303 V N 0.766 120.573 119.914 -0.177 0.000 2.343 303 V HA -0.233 3.885 4.120 -0.004 0.000 0.247 303 V C 1.956 178.111 176.094 0.102 0.000 1.051 303 V CA 1.609 63.865 62.300 -0.073 0.000 1.036 303 V CB -0.561 31.135 31.823 -0.211 0.000 0.654 303 V HN 0.178 nan 8.190 nan 0.000 0.451 304 F N 1.526 121.436 119.950 -0.067 0.000 2.146 304 F HA -0.144 4.380 4.527 -0.005 0.000 0.298 304 F C 2.137 177.920 175.800 -0.029 0.000 1.096 304 F CA 1.785 59.759 58.000 -0.043 0.000 1.275 304 F CB -0.389 38.559 39.000 -0.087 0.000 1.008 304 F HN 0.196 nan 8.300 nan 0.000 0.480 305 D N -0.878 119.521 120.400 -0.002 0.000 2.123 305 D HA -0.258 4.380 4.640 -0.004 0.000 0.196 305 D C 2.008 178.261 176.300 -0.079 0.000 0.992 305 D CA 1.552 55.509 54.000 -0.073 0.000 0.833 305 D CB -0.745 40.062 40.800 0.012 0.000 0.954 305 D HN 0.404 nan 8.370 nan 0.000 0.455 306 Y N 1.041 121.263 120.300 -0.131 0.000 2.181 306 Y HA -0.163 4.384 4.550 -0.004 0.000 0.288 306 Y C 2.126 177.930 175.900 -0.160 0.000 1.146 306 Y CA 0.925 58.956 58.100 -0.115 0.000 1.164 306 Y CB -0.542 37.877 38.460 -0.069 0.000 0.982 306 Y HN -0.049 nan 8.280 nan 0.000 0.515 307 L N -0.233 120.860 121.223 -0.216 0.000 2.012 307 L HA -0.259 4.079 4.340 -0.004 0.000 0.210 307 L C 2.095 178.687 176.870 -0.464 0.000 1.073 307 L CA 2.022 56.647 54.840 -0.359 0.000 0.748 307 L CB -0.826 41.076 42.059 -0.261 0.000 0.891 307 L HN 0.234 nan 8.230 nan 0.000 0.431 308 M N -0.655 118.627 119.600 -0.530 0.000 2.099 308 M HA -0.101 4.377 4.480 -0.004 0.000 0.262 308 M C 2.387 178.488 176.300 -0.332 0.000 1.067 308 M CA 1.996 57.006 55.300 -0.484 0.000 1.124 308 M CB -1.427 30.844 32.600 -0.548 0.000 1.353 308 M HN 0.423 nan 8.290 nan 0.000 0.410 309 V N -2.476 117.268 119.914 -0.283 0.000 2.490 309 V HA -0.173 3.945 4.120 -0.004 0.000 0.250 309 V C 2.253 178.190 176.094 -0.263 0.000 1.061 309 V CA 2.102 64.270 62.300 -0.220 0.000 1.064 309 V CB -1.338 30.396 31.823 -0.148 0.000 0.670 309 V HN 0.295 nan 8.190 nan 0.000 0.461 310 S N 0.904 116.379 115.700 -0.375 0.000 2.355 310 S HA 0.040 4.508 4.470 -0.004 0.000 0.222 310 S C 1.898 176.304 174.600 -0.322 0.000 1.031 310 S CA 1.895 59.861 58.200 -0.389 0.000 0.993 310 S CB -0.500 62.366 63.200 -0.556 0.000 0.859 310 S HN 0.590 nan 8.310 nan 0.000 0.453 311 L N 0.936 121.944 121.223 -0.359 0.000 2.046 311 L HA -0.089 4.249 4.340 -0.004 0.000 0.208 311 L C 2.609 179.316 176.870 -0.271 0.000 1.077 311 L CA 1.263 55.883 54.840 -0.366 0.000 0.747 311 L CB -0.422 41.369 42.059 -0.446 0.000 0.896 311 L HN 0.206 nan 8.230 nan 0.000 0.432 312 R N -0.273 120.089 120.500 -0.230 0.000 2.241 312 R HA -0.114 4.224 4.340 -0.004 0.000 0.224 312 R C 2.401 178.617 176.300 -0.141 0.000 1.101 312 R CA 1.327 57.328 56.100 -0.164 0.000 0.995 312 R CB -0.217 29.997 30.300 -0.143 0.000 0.870 312 R HN 0.438 nan 8.270 nan 0.000 0.463 313 S N -0.159 115.447 115.700 -0.157 0.000 2.528 313 S HA 0.085 4.552 4.470 -0.004 0.000 0.219 313 S C 0.693 175.222 174.600 -0.118 0.000 0.985 313 S CA -0.078 58.046 58.200 -0.126 0.000 0.914 313 S CB 0.149 63.272 63.200 -0.128 0.000 0.776 313 S HN 0.090 nan 8.310 nan 0.000 0.526 314 L N 2.848 123.988 121.223 -0.140 0.000 2.261 314 L HA 0.367 4.704 4.340 -0.004 0.000 0.289 314 L C -1.384 175.426 176.870 -0.100 0.000 1.059 314 L CA -2.054 52.714 54.840 -0.120 0.000 0.816 314 L CB 1.156 43.126 42.059 -0.148 0.000 1.191 314 L HN 0.048 nan 8.230 nan 0.000 0.431 315 P HA -0.151 nan 4.420 nan 0.000 0.218 315 P C 1.498 178.756 177.300 -0.070 0.000 1.149 315 P CA 1.176 64.230 63.100 -0.078 0.000 0.817 315 P CB 0.435 32.091 31.700 -0.074 0.000 0.785 316 L N -0.998 120.203 121.223 -0.037 0.000 2.291 316 L HA -0.002 4.336 4.340 -0.004 0.000 0.214 316 L C 0.981 177.877 176.870 0.043 0.000 1.120 316 L CA 0.356 55.212 54.840 0.026 0.000 0.799 316 L CB -0.414 41.681 42.059 0.059 0.000 0.925 316 L HN -0.212 nan 8.230 nan 0.000 0.446 317 V N 2.125 122.026 119.914 -0.022 0.000 2.488 317 V HA 0.107 4.225 4.120 -0.004 0.000 0.277 317 V C 0.360 176.452 176.094 -0.004 0.000 1.046 317 V CA 0.202 62.483 62.300 -0.032 0.000 0.986 317 V CB 1.227 32.915 31.823 -0.226 0.000 0.989 317 V HN 0.148 nan 8.190 nan 0.000 0.475 318 M N 6.642 126.294 119.600 0.087 0.000 2.023 318 M HA 0.459 4.937 4.480 -0.004 0.000 0.325 318 M C -0.715 175.653 176.300 0.114 0.000 0.963 318 M CA -0.346 54.998 55.300 0.073 0.000 0.928 318 M CB 1.118 33.769 32.600 0.086 0.000 1.429 318 M HN 0.365 nan 8.290 nan 0.000 0.404 319 L N 3.732 124.994 121.223 0.065 0.000 2.439 319 L HA 0.383 4.721 4.340 -0.004 0.000 0.269 319 L C 0.045 176.963 176.870 0.079 0.000 1.179 319 L CA -0.136 54.758 54.840 0.091 0.000 0.828 319 L CB 0.493 42.566 42.059 0.024 0.000 1.106 319 L HN 0.568 nan 8.230 nan 0.000 0.467 320 I N 2.140 122.766 120.570 0.092 0.000 2.339 320 I HA 0.549 4.717 4.170 -0.004 0.000 0.290 320 I C 0.695 176.846 176.117 0.057 0.000 0.994 320 I CA -0.166 61.172 61.300 0.063 0.000 1.191 320 I CB 1.173 39.206 38.000 0.054 0.000 1.343 320 I HN 0.807 nan 8.210 nan 0.000 0.458 321 G N 5.094 113.920 108.800 0.043 0.000 2.795 321 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.664 321 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.664 321 G C -0.387 174.538 174.900 0.042 0.000 1.381 321 G CA -0.646 44.478 45.100 0.041 0.000 0.853 321 G HN 0.855 nan 8.290 nan 0.000 0.545 322 R N 0.525 121.049 120.500 0.042 0.000 2.994 322 R HA 0.350 4.687 4.340 -0.004 0.000 0.219 322 R C -2.721 173.606 176.300 0.044 0.000 1.645 322 R CA -0.759 55.365 56.100 0.040 0.000 1.362 322 R CB 1.206 31.524 30.300 0.029 0.000 1.572 322 R HN 0.608 nan 8.270 nan 0.000 0.659 323 P HA 0.109 nan 4.420 nan 0.000 0.277 323 P C 0.004 177.332 177.300 0.046 0.000 1.240 323 P CA -0.213 62.914 63.100 0.045 0.000 0.798 323 P CB 1.597 33.323 31.700 0.043 0.000 0.979 324 E N 1.795 122.021 120.200 0.042 0.000 2.106 324 E HA -0.024 4.324 4.350 -0.004 0.000 0.192 324 E C 0.154 176.777 176.600 0.038 0.000 0.984 324 E CA 0.875 57.300 56.400 0.042 0.000 0.806 324 E CB -0.158 29.569 29.700 0.045 0.000 0.750 324 E HN 0.582 nan 8.360 nan 0.000 0.458 325 A N 0.101 122.940 122.820 0.032 0.000 2.414 325 A HA 0.602 4.920 4.320 -0.004 0.000 0.306 325 A C -1.190 176.400 177.584 0.009 0.000 1.054 325 A CA -0.577 51.473 52.037 0.021 0.000 0.724 325 A CB 1.619 20.630 19.000 0.017 0.000 1.267 325 A HN 0.174 nan 8.150 nan 0.000 0.418 326 Q N 1.622 121.411 119.800 -0.017 0.000 2.289 326 Q HA 0.549 4.887 4.340 -0.004 0.000 0.270 326 Q C -0.756 175.107 176.000 -0.228 0.000 1.038 326 Q CA -0.664 55.097 55.803 -0.071 0.000 0.812 326 Q CB 1.711 30.464 28.738 0.025 0.000 1.300 326 Q HN 0.894 nan 8.270 nan 0.000 0.427 327 I N 0.155 120.548 120.570 -0.294 0.000 3.004 327 I HA 0.395 4.563 4.170 -0.004 0.000 0.287 327 I C -2.008 173.546 176.117 -0.939 0.000 1.144 327 I CA -2.182 58.789 61.300 -0.549 0.000 1.353 327 I CB 0.405 38.144 38.000 -0.436 0.000 1.417 327 I HN 0.474 nan 8.210 nan 0.000 0.602 328 P HA 0.210 nan 4.420 nan 0.000 0.225 328 P C -0.958 175.840 177.300 -0.837 0.000 1.768 328 P CA 0.179 62.330 63.100 -1.582 0.000 0.943 328 P CB -0.103 31.020 31.700 -0.961 0.000 1.936 329 V N 0.650 120.222 119.914 -0.569 0.000 2.709 329 V HA 0.544 4.662 4.120 -0.004 0.000 0.308 329 V C -0.359 175.815 176.094 0.135 0.000 1.062 329 V CA -0.902 61.356 62.300 -0.069 0.000 0.901 329 V CB 3.012 34.808 31.823 -0.044 0.000 1.003 329 V HN -0.035 nan 8.190 nan 0.000 0.425 330 V N 3.607 123.676 119.914 0.259 0.000 2.888 330 V HA 0.756 4.873 4.120 -0.004 0.000 0.309 330 V C -0.571 175.654 176.094 0.218 0.000 1.114 330 V CA 0.057 62.521 62.300 0.273 0.000 0.940 330 V CB 2.868 34.885 31.823 0.322 0.000 1.021 330 V HN 0.915 nan 8.190 nan 0.000 0.426 331 S N 5.723 121.521 115.700 0.163 0.000 2.501 331 S HA 0.927 5.394 4.470 -0.004 0.000 0.301 331 S C -1.041 173.653 174.600 0.157 0.000 1.096 331 S CA -0.393 57.850 58.200 0.073 0.000 1.063 331 S CB 1.432 64.637 63.200 0.008 0.000 1.042 331 S HN 0.907 nan 8.310 nan 0.000 0.494 332 F N -0.334 119.620 119.950 0.007 0.000 2.631 332 F HA 0.913 5.437 4.527 -0.005 0.000 0.308 332 F C -0.556 175.244 175.800 -0.000 0.000 1.097 332 F CA -1.423 56.575 58.000 -0.005 0.000 0.952 332 F CB 0.687 39.672 39.000 -0.025 0.000 1.307 332 F HN 0.606 nan 8.300 nan 0.000 0.450 333 A N 1.606 124.521 122.820 0.158 0.000 2.306 333 A HA 0.829 5.147 4.320 -0.004 0.000 0.330 333 A C -1.287 176.428 177.584 0.219 0.000 1.146 333 A CA -0.918 51.175 52.037 0.093 0.000 0.827 333 A CB 1.481 20.515 19.000 0.056 0.000 1.178 333 A HN 0.806 nan 8.150 nan 0.000 0.490 334 V N 1.956 121.968 119.914 0.163 0.000 2.398 334 V HA 0.189 4.306 4.120 -0.004 0.000 0.286 334 V C 0.126 176.294 176.094 0.124 0.000 1.026 334 V CA -0.484 61.918 62.300 0.169 0.000 0.868 334 V CB 1.096 33.017 31.823 0.162 0.000 0.982 334 V HN 0.978 nan 8.190 nan 0.000 0.443 335 H N 6.313 125.407 119.070 0.040 0.000 3.217 335 H HA 0.045 4.598 4.556 -0.004 0.000 0.272 335 H C 0.984 176.321 175.328 0.016 0.000 0.929 335 H CA 0.826 56.887 56.048 0.021 0.000 1.425 335 H CB -0.268 29.501 29.762 0.011 0.000 1.505 335 H HN 0.700 nan 8.280 nan 0.000 0.542 336 K N 2.024 122.230 120.400 -0.324 0.000 3.160 336 K HA -0.144 4.174 4.320 -0.004 0.000 0.280 336 K C -1.020 175.513 176.600 -0.112 0.000 1.154 336 K CA 0.817 56.938 56.287 -0.277 0.000 0.822 336 K CB -1.758 30.491 32.500 -0.419 0.000 1.239 336 K HN 0.257 nan 8.250 nan 0.000 0.489 337 V N 0.903 120.786 119.914 -0.052 0.000 2.443 337 V HA 0.261 4.379 4.120 -0.004 0.000 0.293 337 V C -2.065 174.022 176.094 -0.012 0.000 1.021 337 V CA -1.764 60.527 62.300 -0.015 0.000 0.848 337 V CB 1.679 33.513 31.823 0.018 0.000 0.998 337 V HN -0.042 nan 8.190 nan 0.000 0.424 338 P HA 0.184 nan 4.420 nan 0.000 0.269 338 P C 0.818 178.107 177.300 -0.018 0.000 1.209 338 P CA -0.041 63.046 63.100 -0.020 0.000 0.776 338 P CB 0.963 32.652 31.700 -0.019 0.000 0.876 339 A N 3.101 125.900 122.820 -0.035 0.000 1.948 339 A HA -0.264 4.054 4.320 -0.004 0.000 0.220 339 A C 1.688 179.254 177.584 -0.031 0.000 1.177 339 A CA 2.350 54.355 52.037 -0.054 0.000 0.636 339 A CB -1.547 17.404 19.000 -0.082 0.000 0.815 339 A HN 0.682 nan 8.150 nan 0.000 0.449 340 D N -0.405 119.984 120.400 -0.020 0.000 2.123 340 D HA -0.251 4.387 4.640 -0.004 0.000 0.196 340 D C 1.951 178.254 176.300 0.006 0.000 0.992 340 D CA 1.605 55.602 54.000 -0.006 0.000 0.833 340 D CB -0.492 40.305 40.800 -0.005 0.000 0.954 340 D HN 0.573 nan 8.370 nan 0.000 0.455 341 R N 0.582 121.085 120.500 0.006 0.000 2.092 341 R HA -0.067 4.271 4.340 -0.004 0.000 0.231 341 R C 1.920 178.235 176.300 0.026 0.000 1.119 341 R CA 0.996 57.104 56.100 0.015 0.000 0.970 341 R CB -0.170 30.136 30.300 0.010 0.000 0.864 341 R HN 0.171 nan 8.270 nan 0.000 0.440 342 V N 0.216 120.146 119.914 0.027 0.000 2.295 342 V HA -0.214 3.904 4.120 -0.004 0.000 0.246 342 V C 2.338 178.465 176.094 0.054 0.000 1.049 342 V CA 1.665 63.996 62.300 0.051 0.000 1.024 342 V CB -0.296 31.562 31.823 0.059 0.000 0.648 342 V HN 0.190 nan 8.190 nan 0.000 0.447 343 V N -0.240 119.694 119.914 0.034 0.000 2.407 343 V HA -0.332 3.786 4.120 -0.004 0.000 0.248 343 V C 2.412 178.544 176.094 0.063 0.000 1.055 343 V CA 2.347 64.675 62.300 0.047 0.000 1.049 343 V CB -0.663 31.175 31.823 0.024 0.000 0.662 343 V HN 0.620 nan 8.190 nan 0.000 0.455 344 Q N 0.161 119.991 119.800 0.051 0.000 2.079 344 Q HA -0.254 4.083 4.340 -0.004 0.000 0.200 344 Q C 2.373 178.409 176.000 0.060 0.000 0.974 344 Q CA 1.824 57.660 55.803 0.056 0.000 0.840 344 Q CB -0.121 28.642 28.738 0.040 0.000 0.898 344 Q HN 0.483 nan 8.270 nan 0.000 0.430 345 R N 0.321 120.853 120.500 0.052 0.000 2.105 345 R HA -0.101 4.237 4.340 -0.004 0.000 0.239 345 R C 1.972 178.309 176.300 0.060 0.000 1.135 345 R CA 1.537 57.666 56.100 0.048 0.000 0.967 345 R CB -0.606 29.719 30.300 0.043 0.000 0.861 345 R HN 0.390 nan 8.270 nan 0.000 0.442 346 L N -0.375 120.895 121.223 0.080 0.000 2.017 346 L HA -0.085 4.253 4.340 -0.004 0.000 0.208 346 L C 2.502 179.445 176.870 0.122 0.000 1.073 346 L CA 1.442 56.344 54.840 0.102 0.000 0.745 346 L CB -0.758 41.376 42.059 0.124 0.000 0.894 346 L HN 0.351 nan 8.230 nan 0.000 0.432 347 A N -0.212 122.692 122.820 0.140 0.000 1.940 347 A HA -0.236 4.081 4.320 -0.004 0.000 0.219 347 A C 1.839 179.501 177.584 0.129 0.000 1.176 347 A CA 1.966 54.125 52.037 0.204 0.000 0.631 347 A CB -0.524 18.593 19.000 0.196 0.000 0.814 347 A HN 0.373 nan 8.150 nan 0.000 0.446 348 D N 0.151 120.595 120.400 0.072 0.000 2.263 348 D HA -0.079 4.559 4.640 -0.004 0.000 0.208 348 D C 0.902 177.190 176.300 -0.021 0.000 0.971 348 D CA 0.793 54.806 54.000 0.023 0.000 0.867 348 D CB -0.248 40.566 40.800 0.024 0.000 0.929 348 D HN 0.443 nan 8.370 nan 0.000 0.492 349 N N -0.318 118.378 118.700 -0.006 0.000 2.251 349 N HA 0.123 4.861 4.740 -0.004 0.000 0.217 349 N C 0.866 176.335 175.510 -0.068 0.000 1.124 349 N CA 0.392 53.425 53.050 -0.029 0.000 0.843 349 N CB 1.336 39.829 38.487 0.010 0.000 1.024 349 N HN 0.107 nan 8.380 nan 0.000 0.501 350 G N 1.453 110.176 108.800 -0.129 0.000 2.176 350 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.252 350 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.252 350 G C -0.063 174.892 174.900 0.092 0.000 1.024 350 G CA 0.023 44.948 45.100 -0.292 0.000 0.755 350 G HN 0.333 nan 8.290 nan 0.000 0.507 351 I N 0.130 120.818 120.570 0.196 0.000 2.404 351 I HA 0.519 4.687 4.170 -0.004 0.000 0.293 351 I C 0.396 176.683 176.117 0.284 0.000 0.992 351 I CA -0.979 60.481 61.300 0.266 0.000 1.149 351 I CB 1.661 39.809 38.000 0.247 0.000 1.315 351 I HN -0.063 nan 8.210 nan 0.000 0.446 352 L N 6.442 127.823 121.223 0.263 0.000 2.280 352 L HA 0.800 5.138 4.340 -0.004 0.000 0.287 352 L C 0.048 177.058 176.870 0.233 0.000 1.023 352 L CA -0.154 54.795 54.840 0.183 0.000 0.819 352 L CB 1.313 43.400 42.059 0.046 0.000 1.212 352 L HN 0.745 nan 8.230 nan 0.000 0.420 353 A N 4.312 127.240 122.820 0.180 0.000 2.483 353 A HA 0.907 5.225 4.320 -0.004 0.000 0.286 353 A C -0.962 176.677 177.584 0.092 0.000 1.207 353 A CA -0.608 51.528 52.037 0.165 0.000 0.764 353 A CB 1.386 20.475 19.000 0.149 0.000 1.341 353 A HN 0.559 nan 8.150 nan 0.000 0.428 354 I N 0.481 121.084 120.570 0.055 0.000 2.433 354 I HA 0.526 4.693 4.170 -0.004 0.000 0.292 354 I C 0.469 176.569 176.117 -0.027 0.000 1.001 354 I CA -0.558 60.756 61.300 0.023 0.000 1.119 354 I CB 2.027 40.048 38.000 0.035 0.000 1.289 354 I HN 0.662 nan 8.210 nan 0.000 0.438 355 A N 5.720 128.526 122.820 -0.023 0.000 2.437 355 A HA 0.178 4.496 4.320 -0.004 0.000 0.303 355 A C 0.168 177.730 177.584 -0.037 0.000 1.324 355 A CA -0.320 51.691 52.037 -0.045 0.000 0.983 355 A CB -0.279 18.704 19.000 -0.028 0.000 1.142 355 A HN 0.766 nan 8.150 nan 0.000 0.541 356 N N 2.087 120.755 118.700 -0.054 0.000 2.447 356 N HA 0.067 4.804 4.740 -0.004 0.000 0.263 356 N C -0.474 175.022 175.510 -0.022 0.000 1.226 356 N CA 0.922 53.952 53.050 -0.033 0.000 0.906 356 N CB 0.632 39.094 38.487 -0.042 0.000 1.060 356 N HN 0.562 nan 8.380 nan 0.000 0.468 357 T N 1.281 115.830 114.554 -0.008 0.000 2.861 357 T HA 0.536 4.883 4.350 -0.004 0.000 0.287 357 T C 0.548 175.250 174.700 0.004 0.000 1.003 357 T CA 0.405 62.502 62.100 -0.005 0.000 0.977 357 T CB 0.590 69.455 68.868 -0.005 0.000 0.996 357 T HN 0.656 nan 8.240 nan 0.000 0.448 358 G N 2.653 111.456 108.800 0.005 0.000 2.137 358 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.237 358 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.237 358 G C 0.194 175.109 174.900 0.025 0.000 1.002 358 G CA 0.373 45.482 45.100 0.015 0.000 0.702 358 G HN 1.159 nan 8.290 nan 0.000 0.515 359 S N -0.379 115.332 115.700 0.019 0.000 2.465 359 S HA 0.500 4.968 4.470 -0.004 0.000 0.279 359 S C 1.813 176.428 174.600 0.023 0.000 1.201 359 S CA -0.184 58.033 58.200 0.028 0.000 1.053 359 S CB 0.671 63.883 63.200 0.020 0.000 0.953 359 S HN 0.398 nan 8.310 nan 0.000 0.488 360 R N 3.200 123.726 120.500 0.043 0.000 2.120 360 R HA -0.059 4.278 4.340 -0.004 0.000 0.234 360 R C 1.997 178.294 176.300 -0.006 0.000 1.123 360 R CA 1.237 57.348 56.100 0.019 0.000 0.975 360 R CB -0.539 29.800 30.300 0.065 0.000 0.866 360 R HN 0.615 nan 8.270 nan 0.000 0.446 361 V N 1.339 121.266 119.914 0.022 0.000 2.358 361 V HA -0.164 3.954 4.120 -0.004 0.000 0.246 361 V C 2.059 178.150 176.094 -0.005 0.000 1.047 361 V CA 1.491 63.796 62.300 0.009 0.000 1.035 361 V CB -0.133 31.707 31.823 0.030 0.000 0.658 361 V HN 0.265 nan 8.190 nan 0.000 0.452 362 L N -0.336 120.886 121.223 -0.001 0.000 2.093 362 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 362 L C 2.395 179.254 176.870 -0.018 0.000 1.085 362 L CA 1.671 56.507 54.840 -0.008 0.000 0.755 362 L CB -0.791 41.263 42.059 -0.009 0.000 0.904 362 L HN 0.341 nan 8.230 nan 0.000 0.435 363 D N -0.150 120.236 120.400 -0.023 0.000 2.092 363 D HA -0.188 4.450 4.640 -0.004 0.000 0.193 363 D C 2.258 178.529 176.300 -0.048 0.000 0.994 363 D CA 1.176 55.155 54.000 -0.035 0.000 0.828 363 D CB -0.319 40.456 40.800 -0.042 0.000 0.963 363 D HN 0.045 nan 8.370 nan 0.000 0.450 364 V N 0.732 120.608 119.914 -0.062 0.000 2.490 364 V HA -0.168 3.950 4.120 -0.004 0.000 0.250 364 V C 2.291 178.355 176.094 -0.050 0.000 1.061 364 V CA 1.069 63.323 62.300 -0.076 0.000 1.064 364 V CB -0.213 31.544 31.823 -0.108 0.000 0.670 364 V HN 0.195 nan 8.190 nan 0.000 0.461 365 L N -0.229 120.974 121.223 -0.032 0.000 2.478 365 L HA 0.197 4.535 4.340 -0.004 0.000 0.223 365 L C 1.845 178.705 176.870 -0.015 0.000 1.140 365 L CA 0.990 55.819 54.840 -0.019 0.000 0.842 365 L CB -0.463 41.592 42.059 -0.007 0.000 0.953 365 L HN 0.538 nan 8.230 nan 0.000 0.452 366 G N -0.881 107.907 108.800 -0.020 0.000 2.175 366 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.244 366 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.244 366 G C 0.788 175.681 174.900 -0.012 0.000 0.982 366 G CA 0.348 45.438 45.100 -0.017 0.000 0.641 366 G HN 0.104 nan 8.290 nan 0.000 0.527 367 V N 0.761 120.669 119.914 -0.010 0.000 2.490 367 V HA -0.126 3.991 4.120 -0.004 0.000 0.250 367 V C 2.267 178.351 176.094 -0.016 0.000 1.061 367 V CA 2.289 64.583 62.300 -0.009 0.000 1.064 367 V CB -0.268 31.550 31.823 -0.008 0.000 0.670 367 V HN 0.507 nan 8.190 nan 0.000 0.461 368 N N -0.301 118.388 118.700 -0.019 0.000 2.336 368 N HA -0.035 4.703 4.740 -0.004 0.000 0.189 368 N C 1.193 176.691 175.510 -0.020 0.000 1.113 368 N CA 0.354 53.391 53.050 -0.021 0.000 0.858 368 N CB -0.043 38.431 38.487 -0.021 0.000 0.970 368 N HN 0.441 nan 8.380 nan 0.000 0.471 369 D N 0.261 120.650 120.400 -0.019 0.000 2.104 369 D HA -0.066 4.571 4.640 -0.004 0.000 0.194 369 D C 0.364 176.653 176.300 -0.018 0.000 0.994 369 D CA 1.092 55.082 54.000 -0.018 0.000 0.830 369 D CB 0.340 41.130 40.800 -0.017 0.000 0.959 369 D HN -0.019 nan 8.370 nan 0.000 0.452 370 V N -1.438 118.464 119.914 -0.019 0.000 2.577 370 V HA 0.563 4.681 4.120 -0.004 0.000 0.303 370 V C 1.034 177.113 176.094 -0.025 0.000 1.042 370 V CA -0.115 62.172 62.300 -0.022 0.000 0.872 370 V CB 1.487 33.295 31.823 -0.025 0.000 0.998 370 V HN 0.373 nan 8.190 nan 0.000 0.423 371 G N 3.265 112.050 108.800 -0.026 0.000 2.498 371 G HA2 0.087 4.045 3.960 -0.004 0.000 0.229 371 G HA3 0.087 4.045 3.960 -0.004 0.000 0.229 371 G C 1.197 176.078 174.900 -0.032 0.000 1.156 371 G CA 0.506 45.589 45.100 -0.028 0.000 0.680 371 G HN 2.583 nan 8.290 nan 0.000 0.512 372 G N -0.375 108.406 108.800 -0.032 0.000 2.725 372 G HA2 0.421 4.379 3.960 -0.004 0.000 0.220 372 G HA3 0.421 4.379 3.960 -0.004 0.000 0.220 372 G C 0.118 174.980 174.900 -0.063 0.000 1.357 372 G CA 1.160 46.235 45.100 -0.042 0.000 0.866 372 G HN 2.468 nan 8.290 nan 0.000 0.548 373 A N -1.723 121.042 122.820 -0.091 0.000 2.479 373 A HA 0.925 5.243 4.320 -0.004 0.000 0.296 373 A C -0.378 177.062 177.584 -0.239 0.000 1.121 373 A CA 0.071 52.012 52.037 -0.160 0.000 0.743 373 A CB 2.104 21.029 19.000 -0.125 0.000 1.323 373 A HN 1.959 nan 8.150 nan 0.000 0.415 374 V N 0.668 120.297 119.914 -0.475 0.000 2.513 374 V HA 0.630 4.748 4.120 -0.004 0.000 0.299 374 V C -0.102 175.683 176.094 -0.515 0.000 1.035 374 V CA -0.304 61.669 62.300 -0.544 0.000 0.889 374 V CB 1.879 33.209 31.823 -0.821 0.000 0.988 374 V HN 0.929 nan 8.190 nan 0.000 0.440 375 T N 4.062 118.484 114.554 -0.220 0.000 2.807 375 T HA 0.662 5.010 4.350 -0.004 0.000 0.279 375 T C -0.455 174.276 174.700 0.052 0.000 0.993 375 T CA -0.447 61.617 62.100 -0.060 0.000 0.970 375 T CB 1.555 70.421 68.868 -0.002 0.000 0.950 375 T HN 0.714 nan 8.240 nan 0.000 0.441 376 V N 0.262 120.271 119.914 0.157 0.000 2.914 376 V HA 1.086 5.204 4.120 -0.004 0.000 0.314 376 V C -0.065 176.188 176.094 0.265 0.000 1.084 376 V CA -0.844 61.603 62.300 0.245 0.000 0.963 376 V CB 1.787 33.753 31.823 0.238 0.000 1.025 376 V HN 1.047 nan 8.190 nan 0.000 0.432 377 G N 2.526 111.513 108.800 0.312 0.000 2.706 377 G HA2 0.637 4.595 3.960 -0.004 0.000 0.297 377 G HA3 0.637 4.595 3.960 -0.004 0.000 0.297 377 G C -1.282 173.789 174.900 0.286 0.000 1.403 377 G CA -1.010 44.239 45.100 0.249 0.000 0.954 377 G HN 0.878 nan 8.290 nan 0.000 0.500 378 L N 0.693 122.035 121.223 0.198 0.000 2.421 378 L HA 0.718 5.055 4.340 -0.004 0.000 0.263 378 L C 0.816 177.688 176.870 0.002 0.000 1.122 378 L CA -0.624 54.288 54.840 0.119 0.000 0.804 378 L CB 1.472 43.591 42.059 0.100 0.000 1.150 378 L HN 0.682 nan 8.230 nan 0.000 0.457 379 A N -0.157 122.517 122.820 -0.244 0.000 2.437 379 A HA 0.459 4.777 4.320 -0.004 0.000 0.288 379 A C 0.230 177.480 177.584 -0.555 0.000 1.201 379 A CA -0.503 51.191 52.037 -0.572 0.000 0.795 379 A CB 0.514 18.841 19.000 -1.122 0.000 1.359 379 A HN 0.843 nan 8.150 nan 0.000 0.435 380 H N -0.758 118.125 119.070 -0.311 0.000 2.491 380 H HA -0.082 4.472 4.556 -0.004 0.000 0.290 380 H C 0.858 176.265 175.328 0.131 0.000 1.050 380 H CA 2.538 58.610 56.048 0.040 0.000 1.309 380 H CB -0.279 29.597 29.762 0.191 0.000 1.392 380 H HN 0.730 nan 8.280 nan 0.000 0.554 381 Y N -1.355 119.093 120.300 0.246 0.000 2.466 381 Y HA 0.383 4.932 4.550 -0.003 0.000 0.272 381 Y C 0.463 176.452 175.900 0.149 0.000 1.169 381 Y CA -0.790 57.401 58.100 0.151 0.000 1.285 381 Y CB -0.229 38.215 38.460 -0.027 0.000 1.078 381 Y HN -0.136 nan 8.280 nan 0.000 0.523 382 S N 1.378 117.142 115.700 0.107 0.000 2.580 382 S HA 0.412 4.879 4.470 -0.004 0.000 0.274 382 S C 0.510 175.280 174.600 0.283 0.000 1.329 382 S CA -0.100 58.172 58.200 0.119 0.000 1.036 382 S CB 0.854 64.053 63.200 -0.003 0.000 0.919 382 S HN 0.573 nan 8.310 nan 0.000 0.515 383 T N -0.363 114.328 114.554 0.228 0.000 2.916 383 T HA 0.436 4.784 4.350 -0.004 0.000 0.292 383 T C 1.226 176.061 174.700 0.225 0.000 1.064 383 T CA -1.016 61.245 62.100 0.267 0.000 1.011 383 T CB 0.821 69.823 68.868 0.222 0.000 1.152 383 T HN 0.284 nan 8.240 nan 0.000 0.510 384 M N 1.027 120.729 119.600 0.170 0.000 2.108 384 M HA -0.038 4.439 4.480 -0.004 0.000 0.261 384 M C 2.700 179.114 176.300 0.190 0.000 1.066 384 M CA 2.154 57.529 55.300 0.125 0.000 1.107 384 M CB -1.940 30.610 32.600 -0.083 0.000 1.356 384 M HN 0.946 nan 8.290 nan 0.000 0.406 385 A N 0.243 123.155 122.820 0.153 0.000 1.933 385 A HA -0.182 4.136 4.320 -0.004 0.000 0.218 385 A C 2.072 179.776 177.584 0.200 0.000 1.175 385 A CA 1.767 53.895 52.037 0.152 0.000 0.628 385 A CB -0.700 18.369 19.000 0.115 0.000 0.814 385 A HN 0.589 nan 8.150 nan 0.000 0.444 386 E N -0.409 119.931 120.200 0.234 0.000 2.077 386 E HA -0.122 4.226 4.350 -0.004 0.000 0.193 386 E C 1.994 178.906 176.600 0.520 0.000 0.989 386 E CA 1.235 57.824 56.400 0.316 0.000 0.800 386 E CB -0.299 29.512 29.700 0.184 0.000 0.746 386 E HN 0.403 nan 8.360 nan 0.000 0.452 387 V N 2.083 122.309 119.914 0.520 0.000 2.287 387 V HA -0.283 3.834 4.120 -0.004 0.000 0.248 387 V C 1.773 177.969 176.094 0.170 0.000 1.053 387 V CA 2.048 64.559 62.300 0.353 0.000 1.027 387 V CB -0.501 31.524 31.823 0.336 0.000 0.646 387 V HN 0.214 nan 8.190 nan 0.000 0.447 388 D N -0.351 120.192 120.400 0.238 0.000 2.133 388 D HA -0.215 4.423 4.640 -0.004 0.000 0.195 388 D C 2.362 178.718 176.300 0.093 0.000 0.997 388 D CA 1.466 55.559 54.000 0.155 0.000 0.840 388 D CB -0.263 40.647 40.800 0.182 0.000 0.947 388 D HN 0.566 nan 8.370 nan 0.000 0.452 389 Q N -0.358 119.523 119.800 0.135 0.000 2.084 389 Q HA -0.134 4.204 4.340 -0.004 0.000 0.202 389 Q C 2.257 178.306 176.000 0.081 0.000 0.978 389 Q CA 0.615 56.486 55.803 0.113 0.000 0.844 389 Q CB -0.163 28.667 28.738 0.154 0.000 0.898 389 Q HN 0.212 nan 8.270 nan 0.000 0.426 390 L N 0.363 121.633 121.223 0.077 0.000 2.017 390 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 390 L C 2.140 178.945 176.870 -0.109 0.000 1.073 390 L CA 1.549 56.349 54.840 -0.067 0.000 0.745 390 L CB -0.621 41.203 42.059 -0.393 0.000 0.894 390 L HN -0.019 nan 8.230 nan 0.000 0.432 391 V N 0.106 119.942 119.914 -0.129 0.000 2.332 391 V HA -0.297 3.820 4.120 -0.004 0.000 0.248 391 V C 2.763 178.802 176.094 -0.093 0.000 1.055 391 V CA 2.184 64.391 62.300 -0.155 0.000 1.038 391 V CB -0.725 30.988 31.823 -0.183 0.000 0.651 391 V HN 0.469 nan 8.190 nan 0.000 0.450 392 R N -0.018 120.455 120.500 -0.044 0.000 2.096 392 R HA -0.103 4.235 4.340 -0.004 0.000 0.235 392 R C 2.423 178.712 176.300 -0.018 0.000 1.127 392 R CA 1.443 57.529 56.100 -0.023 0.000 0.968 392 R CB -0.552 29.748 30.300 0.001 0.000 0.861 392 R HN 0.545 nan 8.270 nan 0.000 0.440 393 A N 1.118 123.933 122.820 -0.009 0.000 1.898 393 A HA -0.089 4.229 4.320 -0.004 0.000 0.216 393 A C 2.152 179.734 177.584 -0.002 0.000 1.181 393 A CA 1.010 53.049 52.037 0.004 0.000 0.620 393 A CB -0.422 18.594 19.000 0.026 0.000 0.819 393 A HN 0.161 nan 8.150 nan 0.000 0.442 394 L N -0.768 120.438 121.223 -0.027 0.000 2.093 394 L HA -0.159 4.179 4.340 -0.004 0.000 0.208 394 L C 3.011 179.858 176.870 -0.038 0.000 1.085 394 L CA 0.926 55.746 54.840 -0.034 0.000 0.755 394 L CB -0.511 41.482 42.059 -0.109 0.000 0.904 394 L HN 0.425 nan 8.230 nan 0.000 0.435 395 A N 0.057 122.846 122.820 -0.052 0.000 2.070 395 A HA -0.195 4.123 4.320 -0.004 0.000 0.220 395 A C 2.456 180.027 177.584 -0.021 0.000 1.159 395 A CA 1.757 53.767 52.037 -0.044 0.000 0.656 395 A CB -0.556 18.415 19.000 -0.049 0.000 0.800 395 A HN 0.526 nan 8.150 nan 0.000 0.453 396 S N -0.914 114.779 115.700 -0.012 0.000 2.522 396 S HA 0.202 4.670 4.470 -0.004 0.000 0.227 396 S C 0.614 175.217 174.600 0.005 0.000 0.986 396 S CA -0.145 58.054 58.200 -0.002 0.000 0.929 396 S CB -0.592 62.609 63.200 0.002 0.000 0.769 396 S HN 0.378 nan 8.310 nan 0.000 0.529 397 L N 1.719 122.947 121.223 0.009 0.000 2.439 397 L HA 0.605 4.943 4.340 -0.004 0.000 0.261 397 L C 1.195 178.076 176.870 0.019 0.000 1.153 397 L CA 0.497 55.348 54.840 0.019 0.000 0.808 397 L CB 0.423 42.501 42.059 0.032 0.000 1.126 397 L HN 0.531 nan 8.230 nan 0.000 0.460 398 G N 0.000 108.814 108.800 0.023 0.000 5.446 398 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 398 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 398 G CA 0.000 45.117 45.100 0.027 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925