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 2i0q_1_A DATA FIRST_RESID 35 DATA SEQUENCE KYEYVELAKA SLTSAQPQHF YAVVIDATFP YKTNQERYIC SLKIVDPTLY DATA SEQUENCE LKQQKGAGDA SDYATLVLYA KRFEDLPIIH RAGDIIRVHR ATLRLYNGQR DATA SEQUENCE QFNANVFYSS SWALFSTDKR SVTQEINNQD AVSDTTPFSF SSKHATIEKN DATA SEQUENCE EISILQNLRK WANQYFSSYS VISSDMYTAL NKAQAQKGDF DVVAKILQVH DATA SEQUENCE ELDEYTNELK LKDASGQVFY TLSLKLKFPH VRTGEVVRIR SATYDETSTQ DATA SEQUENCE KKVLILSHYS NIITFIQSSK LAKELRAKIQ DDHSVEVASL KKNVSLNAVV DATA SEQUENCE LTEVDKKHAA LPSTSLQDLF HHADSDKELQ AQDTFRTQFY VTKIEPSDVK DATA SEQUENCE EWVKGYDRKT KKSSSLKGAS GKGDNIFQVQ FLVKDASTQL NNNTYRVLLY DATA SEQUENCE TQDGLGANFF NVKADNLHKN ADARKKLEDS AELLTKFNSY VDAVVERRNG DATA SEQUENCE FYLIKDTKLI Y 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 35 K HA 0.000 nan 4.320 nan 0.000 0.191 35 K C 0.000 176.379 176.600 -0.368 0.000 0.988 35 K CA 0.000 56.169 56.287 -0.196 0.000 0.838 35 K CB 0.000 32.431 32.500 -0.115 0.000 1.064 36 Y N 1.122 121.274 120.300 -0.247 0.000 2.330 36 Y HA 0.330 4.883 4.550 0.005 0.000 0.336 36 Y C 0.448 176.077 175.900 -0.452 0.000 1.036 36 Y CA -0.564 57.250 58.100 -0.477 0.000 1.125 36 Y CB 1.769 39.772 38.460 -0.763 0.000 1.194 36 Y HN 0.413 nan 8.280 nan 0.000 0.469 37 E N 2.810 122.909 120.200 -0.168 0.000 2.133 37 E HA 0.305 4.658 4.350 0.006 0.000 0.274 37 E C -1.904 174.621 176.600 -0.124 0.000 0.930 37 E CA -0.603 55.739 56.400 -0.098 0.000 0.770 37 E CB 0.379 30.075 29.700 -0.006 0.000 1.104 37 E HN 0.409 nan 8.360 nan 0.000 0.403 38 Y N 2.631 123.075 120.300 0.240 0.000 2.326 38 Y HA 0.437 4.989 4.550 0.004 0.000 0.337 38 Y C 0.106 176.119 175.900 0.188 0.000 1.023 38 Y CA -0.851 57.407 58.100 0.264 0.000 1.143 38 Y CB 1.492 40.133 38.460 0.300 0.000 1.183 38 Y HN 0.280 nan 8.280 nan 0.000 0.485 39 V N 4.186 124.300 119.914 0.333 0.000 2.630 39 V HA 0.342 4.466 4.120 0.006 0.000 0.305 39 V C -0.337 175.874 176.094 0.196 0.000 1.046 39 V CA -0.764 61.666 62.300 0.217 0.000 0.934 39 V CB 1.621 33.550 31.823 0.177 0.000 1.003 39 V HN 0.831 nan 8.190 nan 0.000 0.451 40 E N 4.051 124.314 120.200 0.105 0.000 2.373 40 E HA 0.192 4.546 4.350 0.006 0.000 0.263 40 E C 0.920 177.533 176.600 0.021 0.000 1.073 40 E CA -0.260 56.159 56.400 0.031 0.000 0.894 40 E CB 1.131 30.824 29.700 -0.013 0.000 1.008 40 E HN 0.620 nan 8.360 nan 0.000 0.420 41 L N 1.459 122.647 121.223 -0.059 0.000 2.013 41 L HA -0.280 4.063 4.340 0.006 0.000 0.212 41 L C 2.202 179.136 176.870 0.107 0.000 1.073 41 L CA 1.631 56.460 54.840 -0.017 0.000 0.753 41 L CB -0.543 41.454 42.059 -0.103 0.000 0.890 41 L HN 0.642 nan 8.230 nan 0.000 0.432 42 A N -0.366 122.479 122.820 0.042 0.000 2.067 42 A HA -0.110 4.214 4.320 0.006 0.000 0.217 42 A C 2.151 179.757 177.584 0.037 0.000 1.156 42 A CA 1.031 53.089 52.037 0.035 0.000 0.683 42 A CB -0.170 18.837 19.000 0.012 0.000 0.808 42 A HN 0.358 nan 8.150 nan 0.000 0.455 43 K N -0.098 120.331 120.400 0.048 0.000 2.393 43 K HA 0.333 4.657 4.320 0.006 0.000 0.193 43 K C 0.681 177.322 176.600 0.068 0.000 1.026 43 K CA 0.283 56.598 56.287 0.046 0.000 1.064 43 K CB 0.130 32.654 32.500 0.040 0.000 0.833 43 K HN 0.393 nan 8.250 nan 0.000 0.521 44 A N 1.722 124.611 122.820 0.115 0.000 2.498 44 A HA 0.054 4.377 4.320 0.006 0.000 0.239 44 A C 0.256 177.877 177.584 0.062 0.000 1.068 44 A CA 0.068 52.194 52.037 0.149 0.000 0.766 44 A CB 0.387 19.588 19.000 0.335 0.000 1.003 44 A HN 0.150 nan 8.150 nan 0.000 0.497 45 S N 1.149 116.877 115.700 0.047 0.000 2.548 45 S HA 0.348 4.821 4.470 0.006 0.000 0.277 45 S C 0.779 175.365 174.600 -0.023 0.000 1.315 45 S CA -0.546 57.659 58.200 0.008 0.000 1.050 45 S CB 0.030 63.236 63.200 0.010 0.000 0.918 45 S HN 0.557 nan 8.310 nan 0.000 0.497 46 L N 3.910 125.111 121.223 -0.037 0.000 2.585 46 L HA 0.119 4.463 4.340 0.006 0.000 0.226 46 L C 2.137 178.988 176.870 -0.033 0.000 1.113 46 L CA 0.602 55.410 54.840 -0.053 0.000 0.876 46 L CB -0.168 41.858 42.059 -0.056 0.000 1.072 46 L HN 0.876 nan 8.230 nan 0.000 0.468 47 T N -5.454 109.088 114.554 -0.021 0.000 3.038 47 T HA -0.050 4.304 4.350 0.006 0.000 0.244 47 T C 2.051 176.745 174.700 -0.011 0.000 1.016 47 T CA 0.604 62.695 62.100 -0.015 0.000 1.098 47 T CB -0.169 68.692 68.868 -0.012 0.000 0.954 47 T HN 0.231 nan 8.240 nan 0.000 0.469 48 S N 2.841 118.536 115.700 -0.009 0.000 2.387 48 S HA 0.016 4.490 4.470 0.006 0.000 0.230 48 S C 2.159 176.755 174.600 -0.007 0.000 1.035 48 S CA 1.459 59.655 58.200 -0.008 0.000 1.014 48 S CB -1.236 61.961 63.200 -0.006 0.000 0.836 48 S HN 1.700 nan 8.310 nan 0.000 0.466 49 A N -1.014 121.803 122.820 -0.005 0.000 2.910 49 A HA -0.185 4.139 4.320 0.006 0.000 0.267 49 A C 0.422 178.008 177.584 0.004 0.000 1.310 49 A CA 1.364 53.401 52.037 -0.000 0.000 0.934 49 A CB -1.994 17.005 19.000 -0.003 0.000 1.057 49 A HN 0.654 nan 8.150 nan 0.000 0.742 50 Q N -1.057 118.743 119.800 -0.000 0.000 2.230 50 Q HA 0.470 4.813 4.340 0.006 0.000 0.248 50 Q C -2.627 173.370 176.000 -0.006 0.000 0.915 50 Q CA -2.314 53.484 55.803 -0.007 0.000 0.900 50 Q CB 0.160 28.886 28.738 -0.019 0.000 1.229 50 Q HN 0.295 nan 8.270 nan 0.000 0.439 51 P HA -0.030 nan 4.420 nan 0.000 0.257 51 P C -0.653 176.535 177.300 -0.187 0.000 1.189 51 P CA 0.667 63.758 63.100 -0.014 0.000 0.780 51 P CB 0.305 32.029 31.700 0.040 0.000 0.772 52 Q N 2.387 122.107 119.800 -0.134 0.000 2.241 52 Q HA 0.433 4.777 4.340 0.006 0.000 0.262 52 Q C -0.121 175.724 176.000 -0.258 0.000 1.014 52 Q CA -0.784 54.866 55.803 -0.254 0.000 0.885 52 Q CB 1.598 30.388 28.738 0.086 0.000 1.311 52 Q HN 0.559 nan 8.270 nan 0.000 0.461 53 H N 0.625 119.825 119.070 0.218 0.000 2.747 53 H HA 0.651 5.211 4.556 0.006 0.000 0.371 53 H C -0.885 174.681 175.328 0.398 0.000 1.161 53 H CA -0.670 55.498 56.048 0.199 0.000 1.167 53 H CB 1.323 31.149 29.762 0.107 0.000 1.732 53 H HN 0.632 nan 8.280 nan 0.000 0.544 54 F N -0.897 119.321 119.950 0.446 0.000 2.741 54 F HA 0.552 5.083 4.527 0.007 0.000 0.311 54 F C -2.267 173.564 175.800 0.051 0.000 1.149 54 F CA -1.265 56.904 58.000 0.281 0.000 0.930 54 F CB 1.115 40.111 39.000 -0.007 0.000 1.312 54 F HN 0.279 nan 8.300 nan 0.000 0.450 55 Y N 1.127 121.551 120.300 0.207 0.000 2.429 55 Y HA 0.852 5.405 4.550 0.005 0.000 0.342 55 Y C 0.020 176.017 175.900 0.161 0.000 1.004 55 Y CA -0.358 57.756 58.100 0.022 0.000 1.075 55 Y CB 2.084 40.435 38.460 -0.182 0.000 1.214 55 Y HN 1.080 nan 8.280 nan 0.000 0.455 56 A N 1.633 124.625 122.820 0.287 0.000 2.610 56 A HA 0.749 5.073 4.320 0.006 0.000 0.291 56 A C -2.026 175.683 177.584 0.209 0.000 1.086 56 A CA -0.725 51.428 52.037 0.193 0.000 0.677 56 A CB 0.958 20.052 19.000 0.157 0.000 1.278 56 A HN 0.396 nan 8.150 nan 0.000 0.414 57 V N 1.227 121.281 119.914 0.234 0.000 2.407 57 V HA 0.397 4.520 4.120 0.006 0.000 0.278 57 V C -0.024 176.245 176.094 0.292 0.000 1.037 57 V CA -0.502 61.993 62.300 0.325 0.000 0.900 57 V CB 1.350 33.497 31.823 0.539 0.000 0.983 57 V HN 0.633 nan 8.190 nan 0.000 0.459 58 V N 6.841 126.893 119.914 0.232 0.000 2.461 58 V HA 0.238 4.362 4.120 0.006 0.000 0.275 58 V C 0.981 177.205 176.094 0.215 0.000 1.047 58 V CA 0.176 62.577 62.300 0.169 0.000 0.955 58 V CB 1.121 32.995 31.823 0.084 0.000 0.988 58 V HN 0.899 nan 8.190 nan 0.000 0.471 59 I N -0.152 120.532 120.570 0.190 0.000 4.181 59 I HA 0.576 4.750 4.170 0.006 0.000 0.331 59 I C 0.216 176.363 176.117 0.051 0.000 1.312 59 I CA 0.284 61.709 61.300 0.208 0.000 1.146 59 I CB 0.886 39.028 38.000 0.237 0.000 1.074 59 I HN 0.590 nan 8.210 nan 0.000 0.402 60 D N 0.980 121.379 120.400 -0.001 0.000 2.648 60 D HA 0.770 5.413 4.640 0.006 0.000 0.244 60 D C -1.678 174.604 176.300 -0.031 0.000 1.244 60 D CA 0.002 53.977 54.000 -0.042 0.000 0.772 60 D CB 2.503 43.252 40.800 -0.085 0.000 1.379 60 D HN 0.373 nan 8.370 nan 0.000 0.428 61 A N 0.622 123.433 122.820 -0.016 0.000 2.583 61 A HA 0.605 4.929 4.320 0.006 0.000 0.298 61 A C -0.197 177.416 177.584 0.048 0.000 1.055 61 A CA -0.257 51.776 52.037 -0.006 0.000 0.714 61 A CB 0.654 19.628 19.000 -0.043 0.000 1.277 61 A HN 0.658 nan 8.150 nan 0.000 0.406 62 T N -0.706 113.889 114.554 0.069 0.000 2.754 62 T HA 0.624 4.978 4.350 0.006 0.000 0.286 62 T C 0.107 174.934 174.700 0.211 0.000 0.997 62 T CA -0.195 61.999 62.100 0.158 0.000 0.982 62 T CB 0.391 69.366 68.868 0.178 0.000 1.027 62 T HN 1.069 nan 8.240 nan 0.000 0.529 63 F N 1.847 121.895 119.950 0.164 0.000 2.371 63 F HA 0.496 5.027 4.527 0.006 0.000 0.329 63 F C -2.332 173.600 175.800 0.222 0.000 1.107 63 F CA -2.519 55.582 58.000 0.169 0.000 1.137 63 F CB 0.762 39.889 39.000 0.211 0.000 1.214 63 F HN 0.374 nan 8.300 nan 0.000 0.536 64 P HA 0.091 nan 4.420 nan 0.000 0.267 64 P C -1.808 175.709 177.300 0.361 0.000 1.209 64 P CA 0.627 63.648 63.100 -0.132 0.000 0.763 64 P CB 0.005 31.373 31.700 -0.555 0.000 0.816 65 Y N 0.470 120.909 120.300 0.231 0.000 2.576 65 Y HA 0.633 5.186 4.550 0.005 0.000 0.346 65 Y C -0.390 175.666 175.900 0.259 0.000 1.018 65 Y CA -1.891 56.390 58.100 0.302 0.000 1.050 65 Y CB 1.398 39.890 38.460 0.054 0.000 1.280 65 Y HN 0.075 nan 8.280 nan 0.000 0.474 66 K N 0.660 121.255 120.400 0.325 0.000 2.205 66 K HA 0.328 4.652 4.320 0.006 0.000 0.279 66 K C 0.378 177.020 176.600 0.070 0.000 1.027 66 K CA 0.352 56.541 56.287 -0.163 0.000 0.932 66 K CB 1.102 33.433 32.500 -0.280 0.000 1.032 66 K HN 1.024 nan 8.250 nan 0.000 0.466 67 T N -0.138 114.349 114.554 -0.112 0.000 3.000 67 T HA 0.143 4.497 4.350 0.006 0.000 0.248 67 T C 0.430 175.118 174.700 -0.020 0.000 1.034 67 T CA -0.041 62.077 62.100 0.030 0.000 1.060 67 T CB 0.062 68.931 68.868 0.002 0.000 0.983 67 T HN 0.592 nan 8.240 nan 0.000 0.482 68 N N -0.728 117.901 118.700 -0.119 0.000 3.106 68 N HA 0.310 5.053 4.740 0.006 0.000 0.253 68 N C -0.630 174.794 175.510 -0.143 0.000 1.506 68 N CA -0.529 52.463 53.050 -0.096 0.000 0.876 68 N CB 1.091 39.537 38.487 -0.068 0.000 1.452 68 N HN -0.199 nan 8.380 nan 0.000 0.542 69 Q N 0.269 120.017 119.800 -0.088 0.000 2.585 69 Q HA 0.065 4.408 4.340 0.006 0.000 0.219 69 Q C -0.153 175.809 176.000 -0.063 0.000 0.984 69 Q CA 1.898 57.660 55.803 -0.068 0.000 0.915 69 Q CB -0.242 28.475 28.738 -0.035 0.000 0.967 69 Q HN 0.605 nan 8.270 nan 0.000 0.530 70 E N -1.368 118.771 120.200 -0.102 0.000 3.601 70 E HA 0.277 4.630 4.350 0.006 0.000 0.142 70 E C -0.780 175.752 176.600 -0.114 0.000 0.966 70 E CA 0.001 56.363 56.400 -0.063 0.000 1.527 70 E CB 0.115 29.787 29.700 -0.047 0.000 1.089 70 E HN 0.002 nan 8.360 nan 0.000 0.383 71 R N -0.173 120.195 120.500 -0.221 0.000 2.515 71 R HA 0.734 5.077 4.340 0.006 0.000 0.278 71 R C -2.001 174.090 176.300 -0.348 0.000 1.107 71 R CA -0.476 55.504 56.100 -0.199 0.000 0.945 71 R CB 0.526 30.725 30.300 -0.168 0.000 1.219 71 R HN 0.492 nan 8.270 nan 0.000 0.434 72 Y N 2.771 122.998 120.300 -0.122 0.000 2.499 72 Y HA 0.788 5.341 4.550 0.005 0.000 0.347 72 Y C 0.540 176.254 175.900 -0.310 0.000 0.987 72 Y CA -1.034 56.961 58.100 -0.176 0.000 1.044 72 Y CB 2.331 40.749 38.460 -0.070 0.000 1.245 72 Y HN 0.553 nan 8.280 nan 0.000 0.461 73 I N 1.817 122.120 120.570 -0.445 0.000 2.769 73 I HA 0.488 4.662 4.170 0.006 0.000 0.298 73 I C -1.365 174.442 176.117 -0.517 0.000 1.128 73 I CA -0.811 60.134 61.300 -0.593 0.000 1.031 73 I CB 2.313 39.835 38.000 -0.796 0.000 1.235 73 I HN 0.608 nan 8.210 nan 0.000 0.423 74 C N 3.746 122.838 119.300 -0.347 0.000 2.481 74 C HA 0.661 5.125 4.460 0.006 0.000 0.324 74 C C -0.218 174.672 174.990 -0.167 0.000 1.170 74 C CA -0.267 58.630 59.018 -0.201 0.000 1.361 74 C CB 1.037 28.604 27.740 -0.289 0.000 1.977 74 C HN 0.808 nan 8.230 nan 0.000 0.459 75 S N 5.302 120.972 115.700 -0.049 0.000 2.437 75 S HA 0.877 5.351 4.470 0.006 0.000 0.305 75 S C -1.053 173.533 174.600 -0.023 0.000 1.109 75 S CA -0.400 57.780 58.200 -0.034 0.000 1.099 75 S CB 0.361 63.571 63.200 0.016 0.000 1.004 75 S HN 0.643 nan 8.310 nan 0.000 0.475 76 L N 4.172 125.387 121.223 -0.013 0.000 2.354 76 L HA 0.611 4.955 4.340 0.006 0.000 0.264 76 L C -0.221 176.667 176.870 0.030 0.000 1.008 76 L CA -0.502 54.333 54.840 -0.008 0.000 0.819 76 L CB 1.872 43.915 42.059 -0.027 0.000 1.339 76 L HN 0.551 nan 8.230 nan 0.000 0.420 77 K N 3.240 123.635 120.400 -0.008 0.000 2.235 77 K HA 0.752 5.076 4.320 0.006 0.000 0.266 77 K C -0.996 175.642 176.600 0.062 0.000 0.980 77 K CA -0.461 55.807 56.287 -0.031 0.000 0.849 77 K CB 1.798 34.083 32.500 -0.358 0.000 1.098 77 K HN 0.600 nan 8.250 nan 0.000 0.445 78 I N -0.295 120.365 120.570 0.149 0.000 2.785 78 I HA 0.705 4.879 4.170 0.006 0.000 0.302 78 I C -0.411 175.817 176.117 0.186 0.000 1.069 78 I CA -1.229 60.162 61.300 0.152 0.000 1.045 78 I CB 1.923 39.972 38.000 0.082 0.000 1.236 78 I HN 0.348 nan 8.210 nan 0.000 0.429 79 V N 0.629 120.656 119.914 0.188 0.000 3.181 79 V HA 0.885 5.008 4.120 0.006 0.000 0.308 79 V C -1.657 174.443 176.094 0.011 0.000 1.214 79 V CA -0.302 62.098 62.300 0.167 0.000 1.053 79 V CB 2.019 34.029 31.823 0.311 0.000 1.069 79 V HN 1.136 nan 8.190 nan 0.000 0.441 80 D N -0.369 119.906 120.400 -0.208 0.000 2.692 80 D HA 0.492 5.136 4.640 0.006 0.000 0.290 80 D C -2.776 172.918 176.300 -1.011 0.000 1.281 80 D CA -1.407 52.174 54.000 -0.698 0.000 0.804 80 D CB 1.080 41.645 40.800 -0.391 0.000 1.331 80 D HN 0.289 nan 8.370 nan 0.000 0.432 81 P HA -0.086 nan 4.420 nan 0.000 0.221 81 P C 1.067 178.254 177.300 -0.189 0.000 1.141 81 P CA 2.479 64.993 63.100 -0.976 0.000 0.794 81 P CB 0.036 31.203 31.700 -0.889 0.000 0.764 82 T N -5.352 109.120 114.554 -0.138 0.000 3.022 82 T HA 0.232 4.586 4.350 0.006 0.000 0.250 82 T C 0.298 175.039 174.700 0.068 0.000 1.060 82 T CA -0.076 62.031 62.100 0.012 0.000 1.013 82 T CB -0.138 68.712 68.868 -0.030 0.000 0.982 82 T HN -0.091 nan 8.240 nan 0.000 0.508 83 L N 1.729 123.016 121.223 0.106 0.000 2.617 83 L HA 0.480 4.824 4.340 0.006 0.000 0.259 83 L C -0.761 176.226 176.870 0.195 0.000 0.995 83 L CA -1.045 53.846 54.840 0.086 0.000 0.899 83 L CB 1.180 43.262 42.059 0.039 0.000 1.181 83 L HN 0.355 nan 8.230 nan 0.000 0.437 84 Y N 3.757 124.043 120.300 -0.024 0.000 2.633 84 Y HA 0.630 5.182 4.550 0.002 0.000 0.298 84 Y C -1.174 174.724 175.900 -0.004 0.000 0.951 84 Y CA -0.707 57.380 58.100 -0.022 0.000 1.079 84 Y CB 0.355 38.707 38.460 -0.180 0.000 1.430 84 Y HN 0.303 nan 8.280 nan 0.000 0.590 85 L N 2.236 123.104 121.223 -0.593 0.000 2.445 85 L HA 0.553 4.896 4.340 0.006 0.000 0.262 85 L C -1.077 175.620 176.870 -0.288 0.000 0.974 85 L CA -1.112 53.466 54.840 -0.438 0.000 0.822 85 L CB 2.335 43.996 42.059 -0.663 0.000 1.339 85 L HN 0.089 nan 8.230 nan 0.000 0.409 86 K N 1.990 122.297 120.400 -0.155 0.000 2.126 86 K HA 0.602 4.926 4.320 0.006 0.000 0.257 86 K C -0.301 176.244 176.600 -0.092 0.000 1.007 86 K CA -0.208 56.012 56.287 -0.112 0.000 0.928 86 K CB 0.646 33.103 32.500 -0.071 0.000 1.013 86 K HN 0.723 nan 8.250 nan 0.000 0.473 87 Q N 2.171 121.927 119.800 -0.074 0.000 2.271 87 Q HA 0.042 4.385 4.340 0.006 0.000 0.273 87 Q C -0.609 175.373 176.000 -0.030 0.000 1.051 87 Q CA 0.426 56.199 55.803 -0.050 0.000 0.901 87 Q CB 0.067 28.779 28.738 -0.044 0.000 1.174 87 Q HN 0.575 nan 8.270 nan 0.000 0.385 88 Q N 0.929 120.719 119.800 -0.016 0.000 2.303 88 Q HA 0.467 4.811 4.340 0.006 0.000 0.267 88 Q C 0.615 176.617 176.000 0.003 0.000 1.011 88 Q CA -0.022 55.779 55.803 -0.003 0.000 0.740 88 Q CB 1.690 30.434 28.738 0.009 0.000 1.250 88 Q HN 0.798 nan 8.270 nan 0.000 0.458 89 K N 1.372 121.772 120.400 -0.000 0.000 2.505 89 K HA 0.223 4.546 4.320 0.006 0.000 0.192 89 K C 0.530 177.133 176.600 0.005 0.000 1.025 89 K CA 1.040 57.328 56.287 0.002 0.000 1.086 89 K CB 0.333 32.832 32.500 -0.002 0.000 0.840 89 K HN 0.711 nan 8.250 nan 0.000 0.514 90 G N -1.809 106.996 108.800 0.008 0.000 3.286 90 G HA2 0.525 4.489 3.960 0.006 0.000 0.166 90 G HA3 0.525 4.489 3.960 0.006 0.000 0.166 90 G C 0.480 175.390 174.900 0.017 0.000 1.155 90 G CA 0.364 45.470 45.100 0.010 0.000 0.871 90 G HN 0.697 nan 8.290 nan 0.000 0.637 91 A N -1.024 121.806 122.820 0.016 0.000 2.635 91 A HA 0.618 4.941 4.320 0.006 0.000 0.279 91 A C 0.716 178.317 177.584 0.028 0.000 1.122 91 A CA 0.818 52.868 52.037 0.022 0.000 0.965 91 A CB 0.411 19.419 19.000 0.014 0.000 1.221 91 A HN 1.410 nan 8.150 nan 0.000 0.566 92 G N 0.704 109.522 108.800 0.030 0.000 3.378 92 G HA2 0.453 4.416 3.960 0.006 0.000 0.332 92 G HA3 0.453 4.416 3.960 0.006 0.000 0.332 92 G C -1.262 173.670 174.900 0.054 0.000 1.490 92 G CA -0.358 44.764 45.100 0.036 0.000 1.068 92 G HN 0.103 nan 8.290 nan 0.000 0.492 93 D N 1.879 122.335 120.400 0.093 0.000 2.455 93 D HA 0.242 4.886 4.640 0.006 0.000 0.265 93 D C 0.728 177.085 176.300 0.095 0.000 1.284 93 D CA 0.746 54.818 54.000 0.120 0.000 0.944 93 D CB 1.279 42.233 40.800 0.257 0.000 1.121 93 D HN 0.472 nan 8.370 nan 0.000 0.525 94 A N 2.734 125.587 122.820 0.054 0.000 2.290 94 A HA 0.410 4.734 4.320 0.006 0.000 0.310 94 A C 0.496 178.111 177.584 0.053 0.000 1.202 94 A CA -0.641 51.429 52.037 0.057 0.000 0.837 94 A CB 0.797 19.818 19.000 0.036 0.000 1.139 94 A HN 0.369 nan 8.150 nan 0.000 0.509 95 S N 1.431 117.199 115.700 0.114 0.000 2.564 95 S HA 0.276 4.750 4.470 0.006 0.000 0.278 95 S C -0.250 174.449 174.600 0.166 0.000 1.333 95 S CA -0.149 58.150 58.200 0.166 0.000 1.048 95 S CB 0.643 64.002 63.200 0.264 0.000 0.900 95 S HN 0.766 nan 8.310 nan 0.000 0.505 96 D N 0.908 121.366 120.400 0.096 0.000 2.252 96 D HA 0.620 5.264 4.640 0.006 0.000 0.245 96 D C -1.013 175.354 176.300 0.111 0.000 1.009 96 D CA -0.358 53.619 54.000 -0.038 0.000 0.870 96 D CB 0.900 41.629 40.800 -0.118 0.000 1.251 96 D HN 0.516 nan 8.370 nan 0.000 0.460 97 Y N -0.476 119.864 120.300 0.067 0.000 2.689 97 Y HA 0.749 5.303 4.550 0.007 0.000 0.333 97 Y C -1.459 174.494 175.900 0.089 0.000 1.208 97 Y CA -1.500 56.656 58.100 0.093 0.000 1.055 97 Y CB 0.450 38.982 38.460 0.121 0.000 1.304 97 Y HN 0.359 nan 8.280 nan 0.000 0.455 98 A N 0.483 123.500 122.820 0.327 0.000 2.299 98 A HA 0.864 5.188 4.320 0.006 0.000 0.332 98 A C -0.794 177.020 177.584 0.382 0.000 1.131 98 A CA -0.737 51.471 52.037 0.286 0.000 0.844 98 A CB 1.130 20.320 19.000 0.316 0.000 1.251 98 A HN 0.749 nan 8.150 nan 0.000 0.486 99 T N 0.974 115.729 114.554 0.334 0.000 2.855 99 T HA 0.535 4.888 4.350 0.006 0.000 0.281 99 T C -1.012 173.855 174.700 0.278 0.000 1.007 99 T CA -0.180 62.090 62.100 0.283 0.000 1.009 99 T CB 1.115 70.134 68.868 0.251 0.000 0.983 99 T HN 0.606 nan 8.240 nan 0.000 0.455 100 L N 4.073 125.421 121.223 0.208 0.000 2.349 100 L HA 0.693 5.037 4.340 0.006 0.000 0.278 100 L C -1.266 175.670 176.870 0.109 0.000 0.996 100 L CA -0.585 54.388 54.840 0.223 0.000 0.825 100 L CB 1.344 43.530 42.059 0.211 0.000 1.243 100 L HN 0.435 nan 8.230 nan 0.000 0.412 101 V N 6.630 126.609 119.914 0.109 0.000 2.334 101 V HA 0.429 4.553 4.120 0.006 0.000 0.281 101 V C -0.005 176.048 176.094 -0.069 0.000 1.016 101 V CA -0.528 61.743 62.300 -0.047 0.000 0.832 101 V CB 1.240 33.024 31.823 -0.064 0.000 0.999 101 V HN 0.603 nan 8.190 nan 0.000 0.439 102 L N 5.673 126.784 121.223 -0.185 0.000 2.275 102 L HA 0.560 4.904 4.340 0.006 0.000 0.288 102 L C -0.944 175.794 176.870 -0.220 0.000 1.046 102 L CA -0.455 54.327 54.840 -0.096 0.000 0.805 102 L CB 0.892 42.874 42.059 -0.128 0.000 1.193 102 L HN 0.513 nan 8.230 nan 0.000 0.426 103 Y N 1.985 122.347 120.300 0.103 0.000 2.409 103 Y HA 0.758 5.311 4.550 0.005 0.000 0.339 103 Y C 0.306 176.342 175.900 0.226 0.000 1.033 103 Y CA -0.530 57.646 58.100 0.126 0.000 1.094 103 Y CB 2.113 40.705 38.460 0.221 0.000 1.210 103 Y HN 0.651 nan 8.280 nan 0.000 0.456 104 A N 1.923 124.885 122.820 0.236 0.000 2.602 104 A HA 0.651 4.974 4.320 0.006 0.000 0.290 104 A C -0.322 177.293 177.584 0.051 0.000 1.114 104 A CA -0.904 51.251 52.037 0.196 0.000 0.683 104 A CB 1.600 20.683 19.000 0.137 0.000 1.281 104 A HN 0.582 nan 8.150 nan 0.000 0.416 105 K N -0.141 120.285 120.400 0.043 0.000 2.353 105 K HA 0.213 4.536 4.320 0.006 0.000 0.195 105 K C 0.011 176.720 176.600 0.182 0.000 1.031 105 K CA 0.601 56.921 56.287 0.054 0.000 1.079 105 K CB 0.480 32.963 32.500 -0.028 0.000 0.857 105 K HN 0.602 nan 8.250 nan 0.000 0.535 106 R N -0.514 119.990 120.500 0.008 0.000 2.686 106 R HA 0.235 4.579 4.340 0.006 0.000 0.283 106 R C 0.385 176.331 176.300 -0.590 0.000 0.978 106 R CA -0.514 55.426 56.100 -0.267 0.000 0.897 106 R CB 0.919 31.153 30.300 -0.111 0.000 1.192 106 R HN -0.152 nan 8.270 nan 0.000 0.457 107 F N 3.118 122.366 119.950 -1.170 0.000 2.126 107 F HA -0.212 4.319 4.527 0.006 0.000 0.299 107 F C 2.006 177.587 175.800 -0.365 0.000 1.096 107 F CA 2.264 59.760 58.000 -0.841 0.000 1.255 107 F CB 0.191 38.831 39.000 -0.600 0.000 0.997 107 F HN 0.700 nan 8.300 nan 0.000 0.479 108 E N -1.035 119.021 120.200 -0.240 0.000 2.401 108 E HA -0.204 4.149 4.350 0.006 0.000 0.199 108 E C 0.834 177.328 176.600 -0.177 0.000 1.023 108 E CA 1.312 57.586 56.400 -0.210 0.000 0.859 108 E CB -0.592 29.065 29.700 -0.072 0.000 0.780 108 E HN 0.437 nan 8.360 nan 0.000 0.523 109 D N 0.737 121.051 120.400 -0.143 0.000 2.328 109 D HA 0.165 4.809 4.640 0.006 0.000 0.226 109 D C 0.172 176.611 176.300 0.232 0.000 1.066 109 D CA 0.293 54.301 54.000 0.013 0.000 0.861 109 D CB 0.341 41.153 40.800 0.021 0.000 0.912 109 D HN 0.233 nan 8.370 nan 0.000 0.521 110 L N 1.606 122.810 121.223 -0.033 0.000 2.342 110 L HA 0.396 4.740 4.340 0.006 0.000 0.271 110 L C -2.334 174.214 176.870 -0.536 0.000 1.008 110 L CA -2.062 52.629 54.840 -0.248 0.000 0.818 110 L CB 2.373 44.190 42.059 -0.404 0.000 1.296 110 L HN -0.279 nan 8.230 nan 0.000 0.427 111 P HA 0.240 nan 4.420 nan 0.000 0.280 111 P C -0.838 176.019 177.300 -0.738 0.000 1.244 111 P CA -0.121 62.256 63.100 -1.205 0.000 0.784 111 P CB 1.133 31.811 31.700 -1.703 0.000 0.913 112 I N 4.619 124.842 120.570 -0.579 0.000 2.291 112 I HA 0.216 4.390 4.170 0.006 0.000 0.290 112 I C 0.511 176.348 176.117 -0.466 0.000 1.050 112 I CA -0.751 60.212 61.300 -0.562 0.000 1.245 112 I CB 0.618 38.305 38.000 -0.521 0.000 1.405 112 I HN 0.106 nan 8.210 nan 0.000 0.478 113 I N 6.781 127.152 120.570 -0.332 0.000 2.301 113 I HA 0.104 4.278 4.170 0.006 0.000 0.292 113 I C 0.980 177.031 176.117 -0.110 0.000 1.046 113 I CA -0.043 61.145 61.300 -0.187 0.000 1.282 113 I CB 0.519 38.450 38.000 -0.114 0.000 1.409 113 I HN 0.576 nan 8.210 nan 0.000 0.484 114 H N 5.435 124.478 119.070 -0.045 0.000 2.648 114 H HA 0.282 4.842 4.556 0.006 0.000 0.265 114 H C 0.569 175.872 175.328 -0.043 0.000 0.961 114 H CA 0.246 56.205 56.048 -0.148 0.000 1.185 114 H CB 0.793 30.296 29.762 -0.431 0.000 1.449 114 H HN 0.485 nan 8.280 nan 0.000 0.523 115 R N 0.402 120.939 120.500 0.063 0.000 2.548 115 R HA 0.556 4.899 4.340 0.006 0.000 0.280 115 R C -1.302 174.954 176.300 -0.075 0.000 1.061 115 R CA -0.647 55.445 56.100 -0.012 0.000 0.915 115 R CB 1.607 31.907 30.300 0.001 0.000 1.210 115 R HN 0.070 nan 8.270 nan 0.000 0.442 116 A N 1.780 124.484 122.820 -0.194 0.000 2.409 116 A HA 0.544 4.868 4.320 0.006 0.000 0.262 116 A C 1.057 178.503 177.584 -0.230 0.000 1.113 116 A CA 0.712 52.666 52.037 -0.139 0.000 0.790 116 A CB 0.541 19.402 19.000 -0.232 0.000 1.046 116 A HN 1.178 nan 8.150 nan 0.000 0.496 117 G N 1.981 110.696 108.800 -0.141 0.000 2.284 117 G HA2 -0.145 3.818 3.960 0.006 0.000 0.201 117 G HA3 -0.145 3.818 3.960 0.006 0.000 0.201 117 G C -0.011 174.845 174.900 -0.074 0.000 0.998 117 G CA 0.125 44.954 45.100 -0.452 0.000 0.651 117 G HN 0.708 nan 8.290 nan 0.000 0.489 118 D N 0.335 120.751 120.400 0.026 0.000 2.371 118 D HA 0.541 5.184 4.640 0.006 0.000 0.242 118 D C 0.663 177.080 176.300 0.194 0.000 1.218 118 D CA 0.277 54.364 54.000 0.144 0.000 0.945 118 D CB 1.067 41.996 40.800 0.216 0.000 1.137 118 D HN 0.298 nan 8.370 nan 0.000 0.464 119 I N 1.090 121.809 120.570 0.249 0.000 2.441 119 I HA 0.369 4.542 4.170 0.006 0.000 0.295 119 I C -0.071 176.184 176.117 0.229 0.000 0.994 119 I CA -0.700 60.752 61.300 0.255 0.000 1.144 119 I CB 1.968 40.141 38.000 0.288 0.000 1.314 119 I HN 0.105 nan 8.210 nan 0.000 0.445 120 I N 5.929 126.589 120.570 0.150 0.000 2.530 120 I HA 0.477 4.651 4.170 0.006 0.000 0.297 120 I C -0.702 175.358 176.117 -0.096 0.000 1.011 120 I CA -0.685 60.646 61.300 0.051 0.000 1.107 120 I CB 1.580 39.581 38.000 0.001 0.000 1.285 120 I HN 0.602 nan 8.210 nan 0.000 0.436 121 R N 6.635 126.990 120.500 -0.242 0.000 2.437 121 R HA 0.691 5.035 4.340 0.006 0.000 0.310 121 R C -2.017 173.977 176.300 -0.511 0.000 0.955 121 R CA -0.521 55.189 56.100 -0.650 0.000 0.851 121 R CB 1.812 31.574 30.300 -0.897 0.000 1.161 121 R HN 0.501 nan 8.270 nan 0.000 0.446 122 V N 4.196 123.710 119.914 -0.666 0.000 2.604 122 V HA 0.376 4.499 4.120 0.006 0.000 0.305 122 V C -0.617 175.335 176.094 -0.238 0.000 1.043 122 V CA -0.728 61.251 62.300 -0.535 0.000 0.888 122 V CB 1.836 33.178 31.823 -0.801 0.000 0.995 122 V HN 0.842 nan 8.190 nan 0.000 0.429 123 H N 3.737 122.725 119.070 -0.136 0.000 2.466 123 H HA 0.581 5.141 4.556 0.005 0.000 0.338 123 H C -0.012 175.426 175.328 0.182 0.000 1.091 123 H CA -0.959 55.108 56.048 0.033 0.000 1.207 123 H CB 1.039 30.685 29.762 -0.193 0.000 1.466 123 H HN 0.591 nan 8.280 nan 0.000 0.493 124 R N 1.022 121.852 120.500 0.551 0.000 3.261 124 R HA -0.152 4.192 4.340 0.006 0.000 0.257 124 R C -1.177 175.244 176.300 0.202 0.000 1.014 124 R CA 0.286 56.564 56.100 0.298 0.000 0.681 124 R CB -1.218 29.224 30.300 0.237 0.000 1.155 124 R HN 0.611 nan 8.270 nan 0.000 0.424 125 A N 0.334 123.284 122.820 0.218 0.000 2.312 125 A HA 0.698 5.022 4.320 0.006 0.000 0.328 125 A C 0.537 178.286 177.584 0.275 0.000 1.158 125 A CA 0.021 52.230 52.037 0.286 0.000 0.821 125 A CB 0.985 20.253 19.000 0.446 0.000 1.170 125 A HN 0.326 nan 8.150 nan 0.000 0.490 126 T N -0.506 114.191 114.554 0.238 0.000 2.929 126 T HA 0.645 4.998 4.350 0.006 0.000 0.284 126 T C -0.563 174.211 174.700 0.123 0.000 1.014 126 T CA -0.602 61.589 62.100 0.150 0.000 1.051 126 T CB 1.177 70.099 68.868 0.091 0.000 1.028 126 T HN 0.915 nan 8.240 nan 0.000 0.485 127 L N 1.724 122.942 121.223 -0.008 0.000 2.381 127 L HA 0.839 5.183 4.340 0.006 0.000 0.268 127 L C -0.428 176.351 176.870 -0.151 0.000 0.997 127 L CA -0.637 54.071 54.840 -0.221 0.000 0.818 127 L CB 1.740 43.533 42.059 -0.443 0.000 1.310 127 L HN 1.099 nan 8.230 nan 0.000 0.416 128 R N 3.230 123.635 120.500 -0.159 0.000 2.734 128 R HA 0.631 4.974 4.340 0.006 0.000 0.271 128 R C -2.006 174.260 176.300 -0.056 0.000 1.021 128 R CA -1.021 55.035 56.100 -0.073 0.000 0.893 128 R CB 0.945 31.239 30.300 -0.009 0.000 1.244 128 R HN 0.454 nan 8.270 nan 0.000 0.464 129 L N 2.267 123.482 121.223 -0.013 0.000 2.265 129 L HA 0.368 4.712 4.340 0.006 0.000 0.288 129 L C -1.127 175.804 176.870 0.102 0.000 1.058 129 L CA -0.289 54.558 54.840 0.011 0.000 0.809 129 L CB 0.654 42.703 42.059 -0.017 0.000 1.179 129 L HN 0.570 nan 8.230 nan 0.000 0.429 130 Y N 5.023 125.308 120.300 -0.024 0.000 2.376 130 Y HA 0.341 4.894 4.550 0.005 0.000 0.326 130 Y C 0.296 176.196 175.900 -0.000 0.000 0.970 130 Y CA -1.086 57.015 58.100 0.001 0.000 1.248 130 Y CB 0.436 38.911 38.460 0.025 0.000 1.117 130 Y HN 0.711 nan 8.280 nan 0.000 0.476 131 N N 4.572 123.060 118.700 -0.353 0.000 2.714 131 N HA -0.204 4.539 4.740 0.006 0.000 0.253 131 N C 1.028 176.449 175.510 -0.148 0.000 1.024 131 N CA 1.598 54.465 53.050 -0.304 0.000 0.726 131 N CB -1.133 37.080 38.487 -0.456 0.000 0.908 131 N HN 1.322 nan 8.380 nan 0.000 0.542 132 G N -1.630 107.113 108.800 -0.095 0.000 2.212 132 G HA2 -0.339 3.624 3.960 0.006 0.000 0.266 132 G HA3 -0.339 3.624 3.960 0.006 0.000 0.266 132 G C -0.069 174.795 174.900 -0.059 0.000 0.978 132 G CA 0.759 45.817 45.100 -0.069 0.000 0.632 132 G HN 0.497 nan 8.290 nan 0.000 0.537 133 Q N -0.253 119.525 119.800 -0.037 0.000 2.301 133 Q HA 0.546 4.890 4.340 0.006 0.000 0.267 133 Q C 0.301 176.298 176.000 -0.004 0.000 1.035 133 Q CA -0.809 54.977 55.803 -0.029 0.000 0.856 133 Q CB 1.151 29.879 28.738 -0.017 0.000 1.337 133 Q HN 0.471 nan 8.270 nan 0.000 0.450 134 R N 1.314 121.795 120.500 -0.032 0.000 2.296 134 R HA 0.101 4.444 4.340 0.006 0.000 0.323 134 R C 0.119 176.388 176.300 -0.052 0.000 1.067 134 R CA 0.060 56.100 56.100 -0.099 0.000 0.946 134 R CB 0.428 30.650 30.300 -0.130 0.000 0.991 134 R HN 0.378 nan 8.270 nan 0.000 0.448 135 Q N 4.457 124.198 119.800 -0.098 0.000 2.357 135 Q HA 0.227 4.570 4.340 0.006 0.000 0.266 135 Q C -1.315 174.643 176.000 -0.070 0.000 1.021 135 Q CA -0.569 55.243 55.803 0.014 0.000 0.784 135 Q CB 0.729 29.515 28.738 0.081 0.000 1.243 135 Q HN 0.421 nan 8.270 nan 0.000 0.465 136 F N 2.763 122.770 119.950 0.095 0.000 2.404 136 F HA 0.390 4.918 4.527 0.003 0.000 0.345 136 F C 0.561 176.468 175.800 0.179 0.000 1.110 136 F CA -0.332 57.758 58.000 0.150 0.000 1.130 136 F CB 0.949 40.069 39.000 0.200 0.000 1.129 136 F HN 0.428 nan 8.300 nan 0.000 0.500 137 N N 2.078 120.983 118.700 0.341 0.000 2.319 137 N HA 0.756 5.500 4.740 0.006 0.000 0.305 137 N C -1.330 174.363 175.510 0.306 0.000 1.103 137 N CA -0.682 52.555 53.050 0.312 0.000 0.815 137 N CB 2.272 40.912 38.487 0.254 0.000 1.288 137 N HN 0.607 nan 8.380 nan 0.000 0.493 138 A N 1.696 124.707 122.820 0.319 0.000 2.429 138 A HA 0.383 4.707 4.320 0.006 0.000 0.289 138 A C -1.142 176.608 177.584 0.276 0.000 1.043 138 A CA -0.861 51.328 52.037 0.255 0.000 0.722 138 A CB 0.662 19.795 19.000 0.221 0.000 1.243 138 A HN 0.544 nan 8.150 nan 0.000 0.415 139 N N 2.806 121.593 118.700 0.146 0.000 2.602 139 N HA 0.185 4.929 4.740 0.006 0.000 0.238 139 N C 1.237 176.702 175.510 -0.076 0.000 1.084 139 N CA -0.157 52.882 53.050 -0.018 0.000 0.952 139 N CB 1.493 39.690 38.487 -0.483 0.000 1.244 139 N HN 0.389 nan 8.380 nan 0.000 0.512 140 V N 1.531 121.547 119.914 0.169 0.000 2.594 140 V HA -0.232 3.891 4.120 0.006 0.000 0.253 140 V C 1.709 177.875 176.094 0.120 0.000 1.069 140 V CA 1.481 63.873 62.300 0.154 0.000 1.082 140 V CB -0.919 31.048 31.823 0.239 0.000 0.680 140 V HN 0.638 nan 8.190 nan 0.000 0.469 141 F N -2.113 117.835 119.950 -0.004 0.000 2.502 141 F HA 0.033 4.564 4.527 0.006 0.000 0.298 141 F C 1.934 177.738 175.800 0.006 0.000 1.111 141 F CA 0.817 58.782 58.000 -0.058 0.000 1.445 141 F CB -0.669 38.232 39.000 -0.166 0.000 1.081 141 F HN 0.118 nan 8.300 nan 0.000 0.558 142 Y N 0.859 120.845 120.300 -0.524 0.000 2.414 142 Y HA 0.024 4.577 4.550 0.005 0.000 0.248 142 Y C 2.369 178.175 175.900 -0.156 0.000 1.054 142 Y CA 0.388 58.268 58.100 -0.367 0.000 1.156 142 Y CB -0.184 37.958 38.460 -0.529 0.000 1.051 142 Y HN 0.090 nan 8.280 nan 0.000 0.485 143 S N -1.779 113.957 115.700 0.060 0.000 2.728 143 S HA 0.213 4.686 4.470 0.006 0.000 0.257 143 S C 0.077 174.714 174.600 0.061 0.000 1.060 143 S CA -0.486 57.743 58.200 0.049 0.000 1.126 143 S CB 0.022 63.242 63.200 0.034 0.000 1.099 143 S HN 0.061 nan 8.310 nan 0.000 0.617 144 S N 2.773 118.508 115.700 0.059 0.000 2.593 144 S HA 0.669 5.142 4.470 0.006 0.000 0.269 144 S C 0.150 174.783 174.600 0.056 0.000 1.334 144 S CA -0.050 58.204 58.200 0.091 0.000 1.015 144 S CB 1.080 64.348 63.200 0.114 0.000 0.912 144 S HN 0.845 nan 8.310 nan 0.000 0.541 145 S N 1.210 116.931 115.700 0.035 0.000 2.579 145 S HA 0.793 5.266 4.470 0.006 0.000 0.272 145 S C -1.531 172.994 174.600 -0.126 0.000 1.141 145 S CA -1.123 57.008 58.200 -0.115 0.000 0.843 145 S CB 1.372 64.469 63.200 -0.171 0.000 1.122 145 S HN 0.929 nan 8.310 nan 0.000 0.468 146 W N 0.119 121.301 121.300 -0.197 0.000 3.031 146 W HA 0.852 5.515 4.660 0.005 0.000 0.337 146 W C -1.445 174.909 176.519 -0.273 0.000 1.187 146 W CA -1.232 55.951 57.345 -0.269 0.000 1.166 146 W CB 1.369 30.698 29.460 -0.218 0.000 1.437 146 W HN 1.156 nan 8.180 nan 0.000 0.551 147 A N 3.037 125.864 122.820 0.013 0.000 2.408 147 A HA 0.705 5.029 4.320 0.006 0.000 0.295 147 A C -1.662 175.810 177.584 -0.187 0.000 1.040 147 A CA -0.848 51.091 52.037 -0.164 0.000 0.707 147 A CB 1.378 20.163 19.000 -0.358 0.000 1.235 147 A HN 0.650 nan 8.150 nan 0.000 0.418 148 L N 1.934 122.921 121.223 -0.395 0.000 2.309 148 L HA 0.655 4.998 4.340 0.006 0.000 0.282 148 L C -1.145 175.154 176.870 -0.952 0.000 1.036 148 L CA -0.330 54.152 54.840 -0.597 0.000 0.806 148 L CB 1.210 42.739 42.059 -0.882 0.000 1.220 148 L HN 0.678 nan 8.230 nan 0.000 0.429 149 F N 0.174 120.025 119.950 -0.165 0.000 2.532 149 F HA 0.361 4.893 4.527 0.007 0.000 0.321 149 F C 0.418 176.444 175.800 0.376 0.000 1.089 149 F CA -0.769 57.295 58.000 0.106 0.000 0.926 149 F CB 2.202 41.268 39.000 0.110 0.000 1.168 149 F HN 0.382 nan 8.300 nan 0.000 0.459 150 S N 0.278 116.358 115.700 0.633 0.000 2.513 150 S HA 0.245 4.718 4.470 0.006 0.000 0.276 150 S C 0.517 175.263 174.600 0.244 0.000 1.254 150 S CA -0.457 57.976 58.200 0.389 0.000 1.053 150 S CB 1.377 64.659 63.200 0.138 0.000 0.958 150 S HN 0.680 nan 8.310 nan 0.000 0.491 151 T N 2.275 116.927 114.554 0.163 0.000 2.896 151 T HA 0.025 4.378 4.350 0.006 0.000 0.263 151 T C 0.392 175.131 174.700 0.064 0.000 1.050 151 T CA 0.983 63.148 62.100 0.109 0.000 1.140 151 T CB -0.288 68.617 68.868 0.062 0.000 0.877 151 T HN 0.658 nan 8.240 nan 0.000 0.457 152 D N 0.657 121.076 120.400 0.033 0.000 2.383 152 D HA 0.405 5.049 4.640 0.006 0.000 0.248 152 D C 1.445 177.761 176.300 0.027 0.000 1.170 152 D CA -0.040 53.969 54.000 0.014 0.000 0.977 152 D CB 0.687 41.479 40.800 -0.013 0.000 1.120 152 D HN 0.121 nan 8.370 nan 0.000 0.481 153 K N 0.864 121.276 120.400 0.019 0.000 2.113 153 K HA -0.152 4.172 4.320 0.006 0.000 0.208 153 K C 1.124 177.733 176.600 0.015 0.000 1.047 153 K CA 1.376 57.678 56.287 0.025 0.000 0.928 153 K CB -0.384 32.126 32.500 0.017 0.000 0.716 153 K HN 0.398 nan 8.250 nan 0.000 0.446 154 R N -0.116 120.375 120.500 -0.016 0.000 2.807 154 R HA 0.410 4.753 4.340 0.006 0.000 0.276 154 R C -0.101 176.119 176.300 -0.132 0.000 0.979 154 R CA -0.187 55.881 56.100 -0.053 0.000 0.928 154 R CB 2.084 32.355 30.300 -0.048 0.000 1.191 154 R HN 0.403 nan 8.270 nan 0.000 0.471 155 S N -0.055 115.490 115.700 -0.259 0.000 2.624 155 S HA 0.093 4.566 4.470 0.006 0.000 0.263 155 S C 1.359 175.767 174.600 -0.321 0.000 1.287 155 S CA -0.857 57.017 58.200 -0.543 0.000 0.990 155 S CB 1.119 63.636 63.200 -1.139 0.000 0.950 155 S HN 0.316 nan 8.310 nan 0.000 0.561 156 V N 1.581 121.317 119.914 -0.296 0.000 2.287 156 V HA -0.192 3.931 4.120 0.006 0.000 0.248 156 V C 2.826 178.863 176.094 -0.095 0.000 1.053 156 V CA 2.606 64.832 62.300 -0.122 0.000 1.027 156 V CB -1.640 30.151 31.823 -0.053 0.000 0.646 156 V HN 1.048 nan 8.190 nan 0.000 0.447 157 T N -0.736 113.754 114.554 -0.108 0.000 2.788 157 T HA -0.266 4.088 4.350 0.006 0.000 0.268 157 T C 1.921 176.588 174.700 -0.054 0.000 1.044 157 T CA 1.690 63.762 62.100 -0.047 0.000 1.139 157 T CB -0.252 68.611 68.868 -0.009 0.000 0.867 157 T HN 0.561 nan 8.240 nan 0.000 0.454 158 Q N 0.377 120.120 119.800 -0.094 0.000 2.167 158 Q HA -0.070 4.274 4.340 0.006 0.000 0.202 158 Q C 2.381 178.354 176.000 -0.044 0.000 0.970 158 Q CA 1.075 56.841 55.803 -0.061 0.000 0.855 158 Q CB -0.043 28.651 28.738 -0.072 0.000 0.911 158 Q HN 0.613 nan 8.270 nan 0.000 0.438 159 E N 0.541 120.708 120.200 -0.054 0.000 2.047 159 E HA -0.160 4.194 4.350 0.006 0.000 0.191 159 E C 1.964 178.554 176.600 -0.017 0.000 0.987 159 E CA 0.816 57.197 56.400 -0.032 0.000 0.799 159 E CB -0.036 29.645 29.700 -0.032 0.000 0.752 159 E HN 0.345 nan 8.360 nan 0.000 0.449 160 I N 1.758 122.319 120.570 -0.015 0.000 2.208 160 I HA -0.274 3.899 4.170 0.006 0.000 0.245 160 I C 1.582 177.697 176.117 -0.002 0.000 1.097 160 I CA 1.034 62.332 61.300 -0.003 0.000 1.363 160 I CB -0.221 37.779 38.000 0.001 0.000 1.051 160 I HN 0.109 nan 8.210 nan 0.000 0.413 161 N N 1.204 119.901 118.700 -0.005 0.000 2.270 161 N HA -0.035 4.709 4.740 0.006 0.000 0.198 161 N C -0.105 175.403 175.510 -0.003 0.000 1.117 161 N CA 0.047 53.096 53.050 -0.002 0.000 0.845 161 N CB -0.085 38.402 38.487 -0.000 0.000 0.980 161 N HN 0.257 nan 8.380 nan 0.000 0.486 162 N N 2.564 121.261 118.700 -0.006 0.000 2.586 162 N HA -0.225 4.518 4.740 0.006 0.000 0.282 162 N C -1.142 174.366 175.510 -0.003 0.000 1.171 162 N CA 0.718 53.765 53.050 -0.005 0.000 0.733 162 N CB -0.873 37.613 38.487 -0.003 0.000 0.910 162 N HN 0.478 nan 8.380 nan 0.000 0.548 163 Q N -0.008 119.789 119.800 -0.005 0.000 2.284 163 Q HA 0.485 4.828 4.340 0.006 0.000 0.269 163 Q C -1.440 174.560 176.000 0.001 0.000 1.026 163 Q CA -1.123 54.680 55.803 -0.000 0.000 0.831 163 Q CB 1.450 30.189 28.738 0.001 0.000 1.322 163 Q HN 0.089 nan 8.270 nan 0.000 0.419 164 D N 1.575 121.979 120.400 0.007 0.000 2.368 164 D HA 0.380 5.024 4.640 0.006 0.000 0.240 164 D C -0.196 176.117 176.300 0.021 0.000 1.169 164 D CA 0.171 54.179 54.000 0.013 0.000 0.906 164 D CB 1.095 41.904 40.800 0.016 0.000 1.187 164 D HN 0.695 nan 8.370 nan 0.000 0.435 165 A N 0.851 123.690 122.820 0.031 0.000 2.304 165 A HA 0.276 4.600 4.320 0.006 0.000 0.271 165 A C 1.470 179.087 177.584 0.054 0.000 1.091 165 A CA -0.631 51.436 52.037 0.050 0.000 0.812 165 A CB 0.588 19.630 19.000 0.070 0.000 1.056 165 A HN 0.388 nan 8.150 nan 0.000 0.489 166 V N 0.967 120.920 119.914 0.065 0.000 2.287 166 V HA -0.079 4.045 4.120 0.006 0.000 0.248 166 V C 1.236 177.367 176.094 0.061 0.000 1.053 166 V CA 2.372 64.708 62.300 0.060 0.000 1.027 166 V CB -1.017 30.846 31.823 0.066 0.000 0.646 166 V HN 1.246 nan 8.190 nan 0.000 0.447 167 S N -2.480 113.267 115.700 0.078 0.000 2.615 167 S HA 0.240 4.713 4.470 0.006 0.000 0.268 167 S C -0.397 174.266 174.600 0.105 0.000 1.146 167 S CA -0.424 57.822 58.200 0.078 0.000 0.818 167 S CB 1.236 64.479 63.200 0.071 0.000 1.111 167 S HN 0.170 nan 8.310 nan 0.000 0.465 168 D N 1.289 121.746 120.400 0.094 0.000 2.371 168 D HA 0.050 4.693 4.640 0.006 0.000 0.221 168 D C 1.462 177.849 176.300 0.145 0.000 0.986 168 D CA 1.623 55.689 54.000 0.110 0.000 0.899 168 D CB -0.143 40.700 40.800 0.072 0.000 0.902 168 D HN 0.791 nan 8.370 nan 0.000 0.530 169 T N -3.115 111.528 114.554 0.149 0.000 3.044 169 T HA 0.097 4.450 4.350 0.006 0.000 0.260 169 T C 0.729 175.612 174.700 0.304 0.000 1.019 169 T CA -0.338 61.873 62.100 0.185 0.000 0.921 169 T CB 0.257 69.184 68.868 0.098 0.000 1.053 169 T HN -0.251 nan 8.240 nan 0.000 0.533 170 T N 5.775 120.476 114.554 0.245 0.000 2.771 170 T HA 0.436 4.790 4.350 0.006 0.000 0.291 170 T C -2.637 172.127 174.700 0.106 0.000 0.954 170 T CA -1.168 61.035 62.100 0.172 0.000 1.045 170 T CB 1.339 70.279 68.868 0.119 0.000 0.917 170 T HN 0.204 nan 8.240 nan 0.000 0.484 171 P HA 0.154 nan 4.420 nan 0.000 0.281 171 P C 0.464 177.648 177.300 -0.193 0.000 1.252 171 P CA -0.576 62.123 63.100 -0.668 0.000 0.778 171 P CB 0.544 31.661 31.700 -0.973 0.000 0.895 172 F N 0.668 120.527 119.950 -0.152 0.000 2.661 172 F HA 0.276 4.806 4.527 0.006 0.000 0.298 172 F C 0.590 176.336 175.800 -0.090 0.000 1.137 172 F CA -0.268 57.692 58.000 -0.067 0.000 1.454 172 F CB -0.132 38.845 39.000 -0.039 0.000 1.103 172 F HN 0.225 nan 8.300 nan 0.000 0.577 173 S N -0.183 115.267 115.700 -0.417 0.000 2.537 173 S HA 0.652 5.125 4.470 0.006 0.000 0.271 173 S C -1.445 172.979 174.600 -0.293 0.000 1.148 173 S CA -0.837 57.163 58.200 -0.334 0.000 0.868 173 S CB 0.946 64.048 63.200 -0.163 0.000 1.115 173 S HN 0.413 nan 8.310 nan 0.000 0.461 174 F N 0.402 120.035 119.950 -0.529 0.000 2.703 174 F HA 0.722 5.253 4.527 0.006 0.000 0.308 174 F C -0.323 174.698 175.800 -1.299 0.000 1.126 174 F CA -0.916 56.464 58.000 -1.034 0.000 0.959 174 F CB 0.535 39.134 39.000 -0.668 0.000 1.297 174 F HN 0.488 nan 8.300 nan 0.000 0.441 175 S N 1.096 115.885 115.700 -1.518 0.000 2.632 175 S HA 0.700 5.173 4.470 0.006 0.000 0.267 175 S C 0.075 174.453 174.600 -0.370 0.000 1.276 175 S CA 0.031 57.630 58.200 -1.002 0.000 0.998 175 S CB 1.015 63.543 63.200 -1.120 0.000 0.953 175 S HN 2.601 nan 8.310 nan 0.000 0.547 176 S N 0.203 115.763 115.700 -0.233 0.000 3.859 176 S HA -0.151 4.323 4.470 0.006 0.000 0.678 176 S C 0.296 174.877 174.600 -0.033 0.000 1.658 176 S CA 0.312 58.455 58.200 -0.094 0.000 1.761 176 S CB -1.094 62.068 63.200 -0.063 0.000 0.350 176 S HN 0.865 nan 8.310 nan 0.000 1.312 177 K N 1.281 121.658 120.400 -0.038 0.000 2.432 177 K HA 0.162 4.486 4.320 0.006 0.000 0.196 177 K C 0.811 177.164 176.600 -0.410 0.000 1.038 177 K CA 1.221 57.401 56.287 -0.179 0.000 0.986 177 K CB -0.457 31.919 32.500 -0.207 0.000 0.782 177 K HN 0.732 nan 8.250 nan 0.000 0.485 178 H N -1.405 117.683 119.070 0.031 0.000 2.985 178 H HA 0.587 5.147 4.556 0.006 0.000 0.360 178 H C -1.135 173.884 175.328 -0.515 0.000 1.221 178 H CA -1.000 54.938 56.048 -0.184 0.000 1.121 178 H CB 2.262 31.948 29.762 -0.128 0.000 1.854 178 H HN -0.064 nan 8.280 nan 0.000 0.551 179 A N 1.342 123.781 122.820 -0.636 0.000 2.437 179 A HA 0.539 4.862 4.320 0.006 0.000 0.293 179 A C -0.833 176.532 177.584 -0.365 0.000 1.038 179 A CA -0.602 51.026 52.037 -0.683 0.000 0.708 179 A CB 1.467 19.691 19.000 -1.293 0.000 1.251 179 A HN 0.526 nan 8.150 nan 0.000 0.409 180 T N 2.152 116.594 114.554 -0.188 0.000 2.823 180 T HA 0.600 4.954 4.350 0.006 0.000 0.279 180 T C -0.687 174.013 174.700 -0.001 0.000 0.998 180 T CA -0.095 61.964 62.100 -0.069 0.000 0.994 180 T CB 0.855 69.718 68.868 -0.009 0.000 0.960 180 T HN 0.381 nan 8.240 nan 0.000 0.448 181 I N 3.481 124.071 120.570 0.033 0.000 2.382 181 I HA 0.264 4.438 4.170 0.006 0.000 0.285 181 I C 0.291 176.453 176.117 0.075 0.000 1.007 181 I CA -0.629 60.721 61.300 0.083 0.000 1.142 181 I CB 1.301 39.365 38.000 0.108 0.000 1.289 181 I HN 0.448 nan 8.210 nan 0.000 0.453 182 E N 4.665 124.928 120.200 0.104 0.000 2.366 182 E HA 0.209 4.562 4.350 0.006 0.000 0.266 182 E C 1.236 177.874 176.600 0.063 0.000 1.051 182 E CA -0.091 56.363 56.400 0.090 0.000 0.884 182 E CB 0.704 30.481 29.700 0.128 0.000 1.006 182 E HN 0.555 nan 8.360 nan 0.000 0.417 183 K N 2.789 123.214 120.400 0.042 0.000 2.211 183 K HA -0.236 4.087 4.320 0.006 0.000 0.204 183 K C 1.359 177.970 176.600 0.019 0.000 1.047 183 K CA 2.244 58.545 56.287 0.024 0.000 0.935 183 K CB -1.075 31.436 32.500 0.019 0.000 0.728 183 K HN 0.682 nan 8.250 nan 0.000 0.452 184 N N -0.169 118.553 118.700 0.036 0.000 2.409 184 N HA -0.086 4.658 4.740 0.006 0.000 0.179 184 N C 1.605 177.127 175.510 0.021 0.000 1.032 184 N CA 1.192 54.262 53.050 0.033 0.000 0.898 184 N CB 0.171 38.690 38.487 0.053 0.000 0.971 184 N HN 0.689 nan 8.380 nan 0.000 0.441 185 E N 0.501 120.720 120.200 0.031 0.000 2.152 185 E HA -0.033 4.320 4.350 0.006 0.000 0.192 185 E C 1.710 178.195 176.600 -0.191 0.000 0.983 185 E CA 0.713 57.083 56.400 -0.051 0.000 0.818 185 E CB -0.127 29.584 29.700 0.020 0.000 0.758 185 E HN 0.452 nan 8.360 nan 0.000 0.467 186 I N 1.657 122.158 120.570 -0.115 0.000 2.147 186 I HA -0.396 3.778 4.170 0.006 0.000 0.245 186 I C 2.681 178.703 176.117 -0.158 0.000 1.059 186 I CA 1.742 62.967 61.300 -0.126 0.000 1.320 186 I CB -0.718 37.247 38.000 -0.058 0.000 1.021 186 I HN 0.173 nan 8.210 nan 0.000 0.415 187 S N 1.027 116.652 115.700 -0.126 0.000 2.382 187 S HA -0.143 4.331 4.470 0.006 0.000 0.228 187 S C 1.933 176.423 174.600 -0.184 0.000 1.027 187 S CA 1.099 59.229 58.200 -0.117 0.000 0.991 187 S CB -0.845 62.311 63.200 -0.073 0.000 0.823 187 S HN 0.465 nan 8.310 nan 0.000 0.469 188 I N 0.830 121.228 120.570 -0.288 0.000 2.202 188 I HA -0.112 4.062 4.170 0.006 0.000 0.242 188 I C 2.545 178.335 176.117 -0.546 0.000 1.091 188 I CA 1.089 62.126 61.300 -0.438 0.000 1.368 188 I CB -0.449 37.153 38.000 -0.663 0.000 1.058 188 I HN 0.287 nan 8.210 nan 0.000 0.410 189 L N 0.612 121.448 121.223 -0.646 0.000 1.994 189 L HA -0.229 4.114 4.340 0.006 0.000 0.208 189 L C 2.684 179.420 176.870 -0.223 0.000 1.071 189 L CA 1.859 56.395 54.840 -0.506 0.000 0.745 189 L CB -0.842 40.912 42.059 -0.508 0.000 0.892 189 L HN 0.099 nan 8.230 nan 0.000 0.431 190 Q N -0.488 119.213 119.800 -0.165 0.000 2.084 190 Q HA -0.171 4.173 4.340 0.006 0.000 0.202 190 Q C 2.142 178.121 176.000 -0.034 0.000 0.978 190 Q CA 1.616 57.378 55.803 -0.069 0.000 0.844 190 Q CB -1.113 27.592 28.738 -0.054 0.000 0.898 190 Q HN 0.692 nan 8.270 nan 0.000 0.426 191 N N 0.333 118.996 118.700 -0.060 0.000 2.142 191 N HA -0.051 4.693 4.740 0.006 0.000 0.186 191 N C 1.552 177.088 175.510 0.044 0.000 1.023 191 N CA 0.948 53.990 53.050 -0.012 0.000 0.852 191 N CB -0.493 37.966 38.487 -0.047 0.000 0.998 191 N HN 0.239 nan 8.380 nan 0.000 0.424 192 L N 1.419 122.635 121.223 -0.012 0.000 2.141 192 L HA -0.001 4.342 4.340 0.006 0.000 0.209 192 L C 2.107 179.102 176.870 0.208 0.000 1.094 192 L CA 1.398 56.283 54.840 0.076 0.000 0.763 192 L CB -0.245 41.804 42.059 -0.017 0.000 0.908 192 L HN 0.029 nan 8.230 nan 0.000 0.437 193 R N -0.842 119.730 120.500 0.120 0.000 2.066 193 R HA -0.180 4.163 4.340 0.006 0.000 0.232 193 R C 2.480 178.871 176.300 0.151 0.000 1.131 193 R CA 1.565 57.746 56.100 0.135 0.000 0.955 193 R CB -0.420 29.928 30.300 0.082 0.000 0.851 193 R HN 0.236 nan 8.270 nan 0.000 0.432 194 K N 0.136 120.614 120.400 0.129 0.000 2.063 194 K HA -0.204 4.120 4.320 0.006 0.000 0.208 194 K C 1.522 178.220 176.600 0.163 0.000 1.048 194 K CA 1.642 58.000 56.287 0.119 0.000 0.928 194 K CB -0.645 31.912 32.500 0.095 0.000 0.713 194 K HN 0.547 nan 8.250 nan 0.000 0.442 195 W N 0.581 121.904 121.300 0.038 0.000 2.381 195 W HA -0.035 4.629 4.660 0.007 0.000 0.301 195 W C 2.295 178.893 176.519 0.132 0.000 1.205 195 W CA 2.040 59.408 57.345 0.039 0.000 1.285 195 W CB -0.564 28.880 29.460 -0.026 0.000 1.133 195 W HN 0.355 nan 8.180 nan 0.000 0.521 196 A N 0.795 123.821 122.820 0.344 0.000 1.908 196 A HA -0.280 4.044 4.320 0.006 0.000 0.218 196 A C 1.873 179.593 177.584 0.227 0.000 1.181 196 A CA 2.134 54.367 52.037 0.327 0.000 0.627 196 A CB -1.075 18.148 19.000 0.371 0.000 0.818 196 A HN 0.442 nan 8.150 nan 0.000 0.445 197 N N -0.220 118.556 118.700 0.126 0.000 2.142 197 N HA -0.140 4.603 4.740 0.006 0.000 0.186 197 N C 1.919 177.463 175.510 0.056 0.000 1.023 197 N CA 1.543 54.647 53.050 0.091 0.000 0.852 197 N CB -0.471 38.050 38.487 0.057 0.000 0.998 197 N HN 0.681 nan 8.380 nan 0.000 0.424 198 Q N -0.626 119.164 119.800 -0.018 0.000 2.084 198 Q HA -0.164 4.179 4.340 0.006 0.000 0.202 198 Q C 1.695 177.656 176.000 -0.065 0.000 0.978 198 Q CA 1.127 56.894 55.803 -0.060 0.000 0.844 198 Q CB -0.223 28.452 28.738 -0.104 0.000 0.898 198 Q HN 0.419 nan 8.270 nan 0.000 0.426 199 Y N 0.343 120.411 120.300 -0.386 0.000 2.133 199 Y HA -0.217 4.338 4.550 0.009 0.000 0.287 199 Y C 1.701 177.542 175.900 -0.099 0.000 1.134 199 Y CA 1.285 59.145 58.100 -0.399 0.000 1.133 199 Y CB -0.516 37.343 38.460 -1.002 0.000 0.987 199 Y HN -0.004 nan 8.280 nan 0.000 0.502 200 F N 0.282 120.102 119.950 -0.216 0.000 2.293 200 F HA -0.151 4.379 4.527 0.006 0.000 0.300 200 F C 2.769 178.494 175.800 -0.124 0.000 1.086 200 F CA 1.604 59.481 58.000 -0.205 0.000 1.375 200 F CB -0.660 38.298 39.000 -0.070 0.000 1.045 200 F HN 0.208 nan 8.300 nan 0.000 0.516 201 S N -2.454 113.285 115.700 0.065 0.000 2.496 201 S HA -0.012 4.462 4.470 0.006 0.000 0.224 201 S C 1.749 176.309 174.600 -0.067 0.000 0.996 201 S CA 0.888 59.090 58.200 0.004 0.000 0.927 201 S CB -0.207 62.998 63.200 0.007 0.000 0.774 201 S HN 0.156 nan 8.310 nan 0.000 0.524 202 S N -0.386 115.254 115.700 -0.100 0.000 2.497 202 S HA 0.409 4.882 4.470 0.006 0.000 0.221 202 S C -0.459 173.862 174.600 -0.466 0.000 1.037 202 S CA -0.236 57.811 58.200 -0.254 0.000 0.920 202 S CB 0.009 63.060 63.200 -0.248 0.000 0.800 202 S HN 0.608 nan 8.310 nan 0.000 0.505 203 Y N -0.060 120.145 120.300 -0.158 0.000 2.602 203 Y HA 0.410 4.963 4.550 0.006 0.000 0.342 203 Y C 1.374 177.117 175.900 -0.262 0.000 1.029 203 Y CA -0.894 57.099 58.100 -0.178 0.000 1.080 203 Y CB 1.218 39.574 38.460 -0.173 0.000 1.284 203 Y HN -0.176 nan 8.280 nan 0.000 0.485 204 S N -0.250 115.453 115.700 0.005 0.000 2.402 204 S HA -0.138 4.336 4.470 0.006 0.000 0.229 204 S C 1.479 175.995 174.600 -0.140 0.000 1.021 204 S CA 1.312 59.481 58.200 -0.052 0.000 0.974 204 S CB -0.179 63.041 63.200 0.033 0.000 0.800 204 S HN 0.694 nan 8.310 nan 0.000 0.484 205 V N -0.115 119.663 119.914 -0.227 0.000 0.550 205 V HA -0.262 3.861 4.120 0.006 0.000 0.092 205 V C 0.280 176.356 176.094 -0.029 0.000 2.065 205 V CA 1.604 63.681 62.300 -0.373 0.000 3.496 205 V CB -1.046 30.204 31.823 -0.955 0.000 0.788 205 V HN 0.458 nan 8.190 nan 0.000 0.820 206 I N 3.215 123.839 120.570 0.089 0.000 2.256 206 I HA 0.305 4.478 4.170 0.006 0.000 0.294 206 I C 0.948 177.227 176.117 0.271 0.000 1.127 206 I CA 0.815 62.243 61.300 0.213 0.000 1.247 206 I CB 0.148 38.327 38.000 0.299 0.000 1.460 206 I HN 0.673 nan 8.210 nan 0.000 0.511 207 S N 3.442 119.278 115.700 0.226 0.000 2.614 207 S HA 0.118 4.592 4.470 0.006 0.000 0.265 207 S C 1.487 176.185 174.600 0.164 0.000 1.303 207 S CA -0.166 58.149 58.200 0.192 0.000 1.000 207 S CB 1.017 64.292 63.200 0.125 0.000 0.935 207 S HN 0.661 nan 8.310 nan 0.000 0.551 208 S N 0.347 116.040 115.700 -0.012 0.000 2.440 208 S HA -0.214 4.259 4.470 0.006 0.000 0.240 208 S C 1.268 175.658 174.600 -0.351 0.000 1.014 208 S CA 1.276 59.261 58.200 -0.359 0.000 0.980 208 S CB -0.908 62.158 63.200 -0.222 0.000 0.775 208 S HN 0.898 nan 8.310 nan 0.000 0.499 209 D N 0.959 121.291 120.400 -0.112 0.000 2.363 209 D HA -0.036 4.607 4.640 0.006 0.000 0.220 209 D C 1.443 177.751 176.300 0.014 0.000 0.994 209 D CA 0.400 54.370 54.000 -0.050 0.000 0.890 209 D CB -0.302 40.506 40.800 0.013 0.000 0.906 209 D HN 0.514 nan 8.370 nan 0.000 0.530 210 M N -0.292 119.349 119.600 0.068 0.000 2.431 210 M HA 0.173 4.657 4.480 0.006 0.000 0.237 210 M C -0.625 175.861 176.300 0.311 0.000 1.130 210 M CA -0.148 55.270 55.300 0.197 0.000 1.002 210 M CB 0.067 32.812 32.600 0.242 0.000 1.524 210 M HN 0.058 nan 8.290 nan 0.000 0.482 211 Y N -4.135 116.215 120.300 0.084 0.000 2.689 211 Y HA 0.657 5.210 4.550 0.005 0.000 0.333 211 Y C -1.039 174.903 175.900 0.071 0.000 1.208 211 Y CA -1.444 56.714 58.100 0.095 0.000 1.055 211 Y CB 0.730 39.246 38.460 0.093 0.000 1.304 211 Y HN -0.287 nan 8.280 nan 0.000 0.455 212 T N 1.771 116.458 114.554 0.221 0.000 2.856 212 T HA 0.739 5.092 4.350 0.006 0.000 0.283 212 T C -0.250 174.483 174.700 0.056 0.000 1.008 212 T CA -0.346 61.766 62.100 0.020 0.000 0.997 212 T CB 1.419 70.225 68.868 -0.102 0.000 0.992 212 T HN 0.950 nan 8.240 nan 0.000 0.454 213 A N 2.829 125.637 122.820 -0.019 0.000 2.488 213 A HA 0.352 4.675 4.320 0.006 0.000 0.249 213 A C 1.521 179.087 177.584 -0.030 0.000 1.083 213 A CA -0.297 51.754 52.037 0.023 0.000 0.768 213 A CB -0.260 18.738 19.000 -0.003 0.000 1.017 213 A HN 1.008 nan 8.150 nan 0.000 0.496 214 L N 1.740 122.977 121.223 0.022 0.000 2.127 214 L HA -0.226 4.117 4.340 0.006 0.000 0.211 214 L C 2.203 179.151 176.870 0.130 0.000 1.089 214 L CA 1.619 56.466 54.840 0.011 0.000 0.757 214 L CB -0.534 41.602 42.059 0.129 0.000 0.899 214 L HN 0.975 nan 8.230 nan 0.000 0.434 215 N N -0.467 118.297 118.700 0.107 0.000 2.571 215 N HA -0.147 4.597 4.740 0.006 0.000 0.189 215 N C 1.054 176.573 175.510 0.015 0.000 1.154 215 N CA 0.807 53.916 53.050 0.100 0.000 0.907 215 N CB -0.077 38.448 38.487 0.063 0.000 0.977 215 N HN 0.246 nan 8.380 nan 0.000 0.449 216 K N -0.480 119.883 120.400 -0.060 0.000 2.413 216 K HA 0.354 4.678 4.320 0.006 0.000 0.204 216 K C 1.262 177.702 176.600 -0.266 0.000 1.041 216 K CA 0.264 56.470 56.287 -0.135 0.000 1.082 216 K CB 0.602 33.024 32.500 -0.129 0.000 0.871 216 K HN 0.184 nan 8.250 nan 0.000 0.535 217 A N 1.400 124.029 122.820 -0.319 0.000 1.940 217 A HA -0.239 4.084 4.320 0.006 0.000 0.219 217 A C 2.177 179.488 177.584 -0.456 0.000 1.176 217 A CA 1.629 53.297 52.037 -0.614 0.000 0.631 217 A CB -0.347 18.375 19.000 -0.463 0.000 0.814 217 A HN 0.389 nan 8.150 nan 0.000 0.446 218 Q N -0.874 118.648 119.800 -0.462 0.000 2.291 218 Q HA -0.026 4.318 4.340 0.006 0.000 0.206 218 Q C 1.809 177.591 176.000 -0.363 0.000 0.976 218 Q CA 1.060 56.417 55.803 -0.744 0.000 0.875 218 Q CB -0.261 28.027 28.738 -0.750 0.000 0.927 218 Q HN 0.646 nan 8.270 nan 0.000 0.450 219 A N -0.168 122.498 122.820 -0.258 0.000 2.208 219 A HA 0.029 4.353 4.320 0.006 0.000 0.209 219 A C 0.467 177.980 177.584 -0.118 0.000 1.161 219 A CA -0.032 51.910 52.037 -0.159 0.000 0.782 219 A CB 0.179 19.101 19.000 -0.130 0.000 0.816 219 A HN 0.248 nan 8.150 nan 0.000 0.477 220 Q N -0.209 119.506 119.800 -0.142 0.000 2.327 220 Q HA 0.073 4.416 4.340 0.006 0.000 0.254 220 Q C 0.951 176.985 176.000 0.057 0.000 0.952 220 Q CA -0.066 55.716 55.803 -0.036 0.000 0.884 220 Q CB 1.470 30.196 28.738 -0.021 0.000 1.224 220 Q HN 0.256 nan 8.270 nan 0.000 0.422 221 K N 1.627 122.071 120.400 0.073 0.000 2.167 221 K HA 0.032 4.356 4.320 0.006 0.000 0.203 221 K C 0.841 177.512 176.600 0.117 0.000 1.052 221 K CA 1.300 57.634 56.287 0.079 0.000 0.956 221 K CB 0.002 32.537 32.500 0.058 0.000 0.735 221 K HN 0.799 nan 8.250 nan 0.000 0.451 222 G N -0.003 108.891 108.800 0.157 0.000 3.265 222 G HA2 0.245 4.208 3.960 0.006 0.000 0.171 222 G HA3 0.245 4.208 3.960 0.006 0.000 0.171 222 G C -1.083 173.946 174.900 0.214 0.000 1.110 222 G CA 0.112 45.307 45.100 0.158 0.000 0.855 222 G HN 0.478 nan 8.290 nan 0.000 0.658 223 D N -0.140 120.337 120.400 0.128 0.000 2.354 223 D HA 0.533 5.176 4.640 0.006 0.000 0.247 223 D C -0.512 175.856 176.300 0.113 0.000 1.138 223 D CA -0.051 53.954 54.000 0.008 0.000 0.958 223 D CB 1.503 42.284 40.800 -0.032 0.000 1.144 223 D HN 0.412 nan 8.370 nan 0.000 0.458 224 F N -2.496 117.487 119.950 0.055 0.000 2.779 224 F HA 0.484 5.014 4.527 0.005 0.000 0.316 224 F C -1.392 174.438 175.800 0.051 0.000 1.164 224 F CA -1.212 56.817 58.000 0.049 0.000 0.924 224 F CB 0.953 39.973 39.000 0.034 0.000 1.348 224 F HN 0.026 nan 8.300 nan 0.000 0.467 225 D N 0.724 121.298 120.400 0.290 0.000 2.326 225 D HA 0.707 5.350 4.640 0.006 0.000 0.248 225 D C -0.961 175.530 176.300 0.319 0.000 1.001 225 D CA -0.374 53.745 54.000 0.199 0.000 0.961 225 D CB 2.560 43.468 40.800 0.179 0.000 1.183 225 D HN 0.460 nan 8.370 nan 0.000 0.502 226 V N 0.526 120.544 119.914 0.173 0.000 2.841 226 V HA 0.410 4.534 4.120 0.006 0.000 0.310 226 V C -0.532 175.538 176.094 -0.041 0.000 1.090 226 V CA -0.825 61.554 62.300 0.132 0.000 0.930 226 V CB 2.482 34.354 31.823 0.082 0.000 1.014 226 V HN 0.294 nan 8.190 nan 0.000 0.425 227 V N 3.064 122.865 119.914 -0.189 0.000 2.409 227 V HA 0.933 5.057 4.120 0.006 0.000 0.290 227 V C 0.067 176.065 176.094 -0.160 0.000 1.017 227 V CA -0.032 62.085 62.300 -0.304 0.000 0.841 227 V CB 1.281 32.635 31.823 -0.782 0.000 1.003 227 V HN 1.150 nan 8.190 nan 0.000 0.426 228 A N 4.604 127.374 122.820 -0.084 0.000 2.602 228 A HA 0.831 5.155 4.320 0.006 0.000 0.290 228 A C -1.035 176.516 177.584 -0.055 0.000 1.114 228 A CA -0.862 51.141 52.037 -0.057 0.000 0.683 228 A CB 1.920 20.901 19.000 -0.031 0.000 1.281 228 A HN 0.655 nan 8.150 nan 0.000 0.416 229 K N 0.878 121.245 120.400 -0.055 0.000 2.130 229 K HA 0.628 4.951 4.320 0.006 0.000 0.268 229 K C -1.097 175.466 176.600 -0.062 0.000 0.983 229 K CA -0.447 55.805 56.287 -0.058 0.000 0.893 229 K CB 0.648 33.111 32.500 -0.060 0.000 1.066 229 K HN 0.582 nan 8.250 nan 0.000 0.450 230 I N 6.786 127.317 120.570 -0.064 0.000 2.322 230 I HA 0.003 4.177 4.170 0.006 0.000 0.292 230 I C 0.961 177.042 176.117 -0.060 0.000 1.060 230 I CA -0.155 61.105 61.300 -0.068 0.000 1.309 230 I CB 0.750 38.706 38.000 -0.073 0.000 1.415 230 I HN 0.672 nan 8.210 nan 0.000 0.492 231 L N 5.312 126.495 121.223 -0.068 0.000 2.375 231 L HA 0.135 4.478 4.340 0.006 0.000 0.215 231 L C 0.731 177.583 176.870 -0.030 0.000 1.108 231 L CA 0.588 55.391 54.840 -0.060 0.000 0.830 231 L CB -0.097 41.910 42.059 -0.087 0.000 0.959 231 L HN 0.659 nan 8.230 nan 0.000 0.457 232 Q N -0.221 119.565 119.800 -0.024 0.000 2.438 232 Q HA 0.346 4.690 4.340 0.006 0.000 0.272 232 Q C -1.970 174.043 176.000 0.021 0.000 0.994 232 Q CA -0.382 55.428 55.803 0.011 0.000 0.887 232 Q CB 2.743 31.505 28.738 0.040 0.000 1.432 232 Q HN -0.163 nan 8.270 nan 0.000 0.392 233 V N 3.385 123.315 119.914 0.027 0.000 2.325 233 V HA 0.286 4.409 4.120 0.006 0.000 0.280 233 V C -0.895 175.225 176.094 0.045 0.000 1.016 233 V CA -0.620 61.696 62.300 0.026 0.000 0.818 233 V CB 0.851 32.671 31.823 -0.006 0.000 1.019 233 V HN 0.733 nan 8.190 nan 0.000 0.434 234 H N 3.242 122.285 119.070 -0.044 0.000 2.594 234 H HA 0.356 4.915 4.556 0.006 0.000 0.304 234 H C 0.137 175.407 175.328 -0.096 0.000 1.068 234 H CA -0.391 55.590 56.048 -0.111 0.000 1.308 234 H CB 1.070 30.756 29.762 -0.127 0.000 1.409 234 H HN 0.714 nan 8.280 nan 0.000 0.460 235 E N 5.528 125.411 120.200 -0.529 0.000 1.944 235 E HA -0.007 4.347 4.350 0.006 0.000 0.272 235 E C 0.463 176.691 176.600 -0.620 0.000 1.195 235 E CA -0.264 55.889 56.400 -0.413 0.000 0.926 235 E CB 0.284 29.854 29.700 -0.217 0.000 1.051 235 E HN 0.714 nan 8.360 nan 0.000 0.404 236 L N 4.750 125.703 121.223 -0.450 0.000 2.093 236 L HA -0.030 4.314 4.340 0.006 0.000 0.208 236 L C -0.078 176.743 176.870 -0.082 0.000 1.085 236 L CA 1.972 56.658 54.840 -0.258 0.000 0.755 236 L CB -0.025 41.996 42.059 -0.063 0.000 0.904 236 L HN 0.732 nan 8.230 nan 0.000 0.435 237 D N -4.237 116.124 120.400 -0.065 0.000 2.779 237 D HA 0.049 4.693 4.640 0.006 0.000 0.331 237 D C 0.344 176.581 176.300 -0.104 0.000 1.331 237 D CA 0.014 53.993 54.000 -0.035 0.000 0.866 237 D CB -0.022 40.800 40.800 0.036 0.000 1.409 237 D HN 0.100 nan 8.370 nan 0.000 0.486 238 E N -0.887 119.174 120.200 -0.233 0.000 2.333 238 E HA -0.200 4.154 4.350 0.006 0.000 0.198 238 E C 0.440 176.832 176.600 -0.347 0.000 1.007 238 E CA 1.186 57.374 56.400 -0.352 0.000 0.845 238 E CB -0.480 28.912 29.700 -0.514 0.000 0.766 238 E HN 0.597 nan 8.360 nan 0.000 0.507 239 Y N 0.721 121.011 120.300 -0.017 0.000 2.430 239 Y HA 0.278 4.831 4.550 0.006 0.000 0.248 239 Y C 0.408 176.292 175.900 -0.027 0.000 1.108 239 Y CA -0.168 57.918 58.100 -0.023 0.000 1.264 239 Y CB 0.996 39.441 38.460 -0.025 0.000 1.172 239 Y HN -0.119 nan 8.280 nan 0.000 0.520 240 T N 0.902 115.525 114.554 0.115 0.000 2.861 240 T HA 0.356 4.709 4.350 0.006 0.000 0.287 240 T C -0.780 173.924 174.700 0.006 0.000 1.003 240 T CA -0.975 61.164 62.100 0.065 0.000 0.977 240 T CB 1.775 70.688 68.868 0.075 0.000 0.996 240 T HN -0.064 nan 8.240 nan 0.000 0.448 241 N N 1.864 120.575 118.700 0.019 0.000 2.466 241 N HA 0.367 5.110 4.740 0.006 0.000 0.294 241 N C -0.654 174.876 175.510 0.033 0.000 1.129 241 N CA -0.628 52.421 53.050 -0.003 0.000 0.931 241 N CB 1.911 40.409 38.487 0.019 0.000 1.193 241 N HN 0.737 nan 8.380 nan 0.000 0.500 242 E N 2.015 122.245 120.200 0.049 0.000 2.185 242 E HA 0.287 4.640 4.350 0.006 0.000 0.261 242 E C -1.012 175.678 176.600 0.151 0.000 0.879 242 E CA -0.458 56.021 56.400 0.132 0.000 0.756 242 E CB 0.750 30.572 29.700 0.202 0.000 1.152 242 E HN 0.414 nan 8.360 nan 0.000 0.416 243 L N 4.341 125.633 121.223 0.115 0.000 2.292 243 L HA 0.397 4.740 4.340 0.006 0.000 0.284 243 L C 0.299 177.190 176.870 0.034 0.000 1.065 243 L CA -0.477 54.397 54.840 0.056 0.000 0.806 243 L CB 1.008 43.065 42.059 -0.003 0.000 1.175 243 L HN 0.372 nan 8.230 nan 0.000 0.431 244 K N 4.950 125.315 120.400 -0.058 0.000 2.263 244 K HA 0.580 4.903 4.320 0.006 0.000 0.272 244 K C -1.213 175.256 176.600 -0.218 0.000 1.033 244 K CA -0.485 55.602 56.287 -0.333 0.000 0.884 244 K CB 0.751 33.078 32.500 -0.288 0.000 1.107 244 K HN 0.528 nan 8.250 nan 0.000 0.460 245 L N 3.382 124.481 121.223 -0.207 0.000 2.330 245 L HA 0.585 4.928 4.340 0.006 0.000 0.271 245 L C -0.441 176.388 176.870 -0.067 0.000 1.013 245 L CA -0.943 53.840 54.840 -0.095 0.000 0.816 245 L CB 1.797 43.837 42.059 -0.033 0.000 1.287 245 L HN 0.566 nan 8.230 nan 0.000 0.435 246 K N 1.386 121.761 120.400 -0.042 0.000 2.535 246 K HA 0.305 4.628 4.320 0.006 0.000 0.251 246 K C -1.766 174.830 176.600 -0.006 0.000 0.942 246 K CA -0.591 55.686 56.287 -0.016 0.000 0.798 246 K CB 1.973 34.445 32.500 -0.047 0.000 1.267 246 K HN 0.734 nan 8.250 nan 0.000 0.434 247 D N 2.355 122.769 120.400 0.024 0.000 2.627 247 D HA 0.274 4.918 4.640 0.006 0.000 0.259 247 D C 0.826 177.141 176.300 0.024 0.000 1.164 247 D CA -0.337 53.675 54.000 0.021 0.000 1.087 247 D CB 0.542 41.372 40.800 0.049 0.000 1.217 247 D HN 0.400 nan 8.370 nan 0.000 0.630 248 A N -0.402 122.441 122.820 0.039 0.000 2.070 248 A HA -0.100 4.223 4.320 0.006 0.000 0.220 248 A C 1.940 179.544 177.584 0.034 0.000 1.159 248 A CA 2.114 54.172 52.037 0.035 0.000 0.656 248 A CB -1.010 18.024 19.000 0.057 0.000 0.800 248 A HN 0.590 nan 8.150 nan 0.000 0.453 249 S N -1.987 113.741 115.700 0.047 0.000 2.603 249 S HA 0.348 4.821 4.470 0.006 0.000 0.220 249 S C 1.490 176.110 174.600 0.034 0.000 0.967 249 S CA 1.114 59.338 58.200 0.039 0.000 0.920 249 S CB -0.351 62.878 63.200 0.047 0.000 0.773 249 S HN 1.878 nan 8.310 nan 0.000 0.529 250 G N 0.294 109.111 108.800 0.030 0.000 2.179 250 G HA2 -0.312 3.652 3.960 0.006 0.000 0.260 250 G HA3 -0.312 3.652 3.960 0.006 0.000 0.260 250 G C -0.044 174.875 174.900 0.031 0.000 0.977 250 G CA 0.351 45.462 45.100 0.019 0.000 0.641 250 G HN 0.794 nan 8.290 nan 0.000 0.533 251 Q N 0.492 120.332 119.800 0.067 0.000 2.327 251 Q HA 0.605 4.948 4.340 0.006 0.000 0.254 251 Q C 0.026 176.097 176.000 0.118 0.000 0.952 251 Q CA -0.300 55.566 55.803 0.106 0.000 0.884 251 Q CB 1.476 30.332 28.738 0.196 0.000 1.224 251 Q HN 0.387 nan 8.270 nan 0.000 0.422 252 V N 5.168 125.116 119.914 0.057 0.000 2.483 252 V HA 0.591 4.714 4.120 0.006 0.000 0.295 252 V C -0.783 175.294 176.094 -0.029 0.000 1.035 252 V CA -0.430 61.865 62.300 -0.009 0.000 0.896 252 V CB 0.924 32.685 31.823 -0.104 0.000 0.986 252 V HN 0.740 nan 8.190 nan 0.000 0.447 253 F N 2.715 122.582 119.950 -0.140 0.000 2.613 253 F HA 0.656 5.186 4.527 0.006 0.000 0.310 253 F C -0.771 174.897 175.800 -0.221 0.000 1.085 253 F CA -0.683 57.282 58.000 -0.059 0.000 0.945 253 F CB 2.147 41.171 39.000 0.039 0.000 1.298 253 F HN 0.321 nan 8.300 nan 0.000 0.455 254 Y N 0.338 120.758 120.300 0.200 0.000 2.487 254 Y HA 0.653 5.207 4.550 0.006 0.000 0.337 254 Y C 0.157 176.133 175.900 0.126 0.000 1.076 254 Y CA -0.716 57.452 58.100 0.114 0.000 1.115 254 Y CB 2.371 40.860 38.460 0.048 0.000 1.235 254 Y HN 0.470 nan 8.280 nan 0.000 0.468 255 T N 2.948 117.637 114.554 0.224 0.000 2.982 255 T HA 0.508 4.861 4.350 0.006 0.000 0.321 255 T C -1.423 173.344 174.700 0.112 0.000 1.229 255 T CA -0.696 61.488 62.100 0.139 0.000 1.044 255 T CB 0.614 69.525 68.868 0.072 0.000 1.184 255 T HN 0.519 nan 8.240 nan 0.000 0.477 256 L N 3.069 124.345 121.223 0.089 0.000 2.371 256 L HA 0.625 4.969 4.340 0.006 0.000 0.272 256 L C 0.364 177.290 176.870 0.093 0.000 1.124 256 L CA -0.499 54.389 54.840 0.081 0.000 0.816 256 L CB 1.531 43.626 42.059 0.060 0.000 1.129 256 L HN 0.606 nan 8.230 nan 0.000 0.448 257 S N 3.929 119.695 115.700 0.111 0.000 2.775 257 S HA 0.428 4.902 4.470 0.006 0.000 0.277 257 S C -0.552 174.140 174.600 0.154 0.000 1.156 257 S CA -0.724 57.599 58.200 0.205 0.000 1.081 257 S CB 0.489 63.795 63.200 0.177 0.000 1.054 257 S HN 0.464 nan 8.310 nan 0.000 0.482 258 L N 5.370 126.643 121.223 0.083 0.000 2.525 258 L HA 0.121 4.464 4.340 0.006 0.000 0.278 258 L C 1.679 178.558 176.870 0.016 0.000 1.218 258 L CA 0.010 54.848 54.840 -0.003 0.000 0.878 258 L CB 0.422 42.410 42.059 -0.119 0.000 1.127 258 L HN 0.750 nan 8.230 nan 0.000 0.492 259 K N 2.098 122.519 120.400 0.035 0.000 2.057 259 K HA -0.195 4.129 4.320 0.006 0.000 0.207 259 K C 1.712 178.329 176.600 0.027 0.000 1.049 259 K CA 1.028 57.339 56.287 0.041 0.000 0.931 259 K CB -0.073 32.448 32.500 0.035 0.000 0.714 259 K HN 0.455 nan 8.250 nan 0.000 0.440 260 L N 1.874 123.100 121.223 0.004 0.000 2.056 260 L HA -0.141 4.203 4.340 0.006 0.000 0.207 260 L C 2.234 179.086 176.870 -0.030 0.000 1.078 260 L CA 1.801 56.643 54.840 0.002 0.000 0.749 260 L CB -0.334 41.724 42.059 -0.001 0.000 0.901 260 L HN -0.000 nan 8.230 nan 0.000 0.433 261 K N -0.852 119.434 120.400 -0.189 0.000 2.025 261 K HA -0.123 4.200 4.320 0.006 0.000 0.207 261 K C 0.017 176.390 176.600 -0.378 0.000 1.049 261 K CA 1.421 57.422 56.287 -0.476 0.000 0.933 261 K CB -0.133 31.748 32.500 -1.032 0.000 0.714 261 K HN 0.306 nan 8.250 nan 0.000 0.438 262 F N 1.211 121.201 119.950 0.067 0.000 2.449 262 F HA 0.286 4.816 4.527 0.006 0.000 0.344 262 F C -1.875 173.996 175.800 0.119 0.000 1.180 262 F CA -1.973 56.115 58.000 0.146 0.000 1.209 262 F CB 1.665 40.735 39.000 0.117 0.000 1.440 262 F HN 0.053 nan 8.300 nan 0.000 0.526 263 P HA -0.140 nan 4.420 nan 0.000 0.241 263 P C 0.877 178.248 177.300 0.118 0.000 1.191 263 P CA 1.115 64.284 63.100 0.115 0.000 0.771 263 P CB -0.114 31.619 31.700 0.056 0.000 0.929 264 H N -0.385 118.612 119.070 -0.122 0.000 2.539 264 H HA 0.128 4.687 4.556 0.006 0.000 0.269 264 H C 0.516 175.804 175.328 -0.067 0.000 0.980 264 H CA -0.477 55.499 56.048 -0.119 0.000 1.152 264 H CB -1.566 28.074 29.762 -0.204 0.000 1.407 264 H HN -0.087 nan 8.280 nan 0.000 0.564 265 V N 0.744 120.486 119.914 -0.286 0.000 2.529 265 V HA 0.368 4.491 4.120 0.006 0.000 0.292 265 V C 0.049 176.064 176.094 -0.132 0.000 1.028 265 V CA -0.568 61.565 62.300 -0.279 0.000 1.074 265 V CB 0.605 32.318 31.823 -0.185 0.000 0.958 265 V HN 0.178 nan 8.190 nan 0.000 0.481 266 R N 2.623 123.051 120.500 -0.121 0.000 2.673 266 R HA 0.479 4.823 4.340 0.006 0.000 0.281 266 R C -0.281 175.986 176.300 -0.056 0.000 0.991 266 R CA -0.639 55.422 56.100 -0.066 0.000 0.896 266 R CB 1.887 32.158 30.300 -0.048 0.000 1.201 266 R HN 0.836 nan 8.270 nan 0.000 0.457 267 T N 0.850 115.381 114.554 -0.037 0.000 2.928 267 T HA 0.269 4.623 4.350 0.006 0.000 0.305 267 T C 1.266 175.948 174.700 -0.031 0.000 1.035 267 T CA 1.632 63.714 62.100 -0.031 0.000 1.145 267 T CB 0.523 69.382 68.868 -0.015 0.000 0.963 267 T HN 0.805 nan 8.240 nan 0.000 0.545 268 G N 2.792 111.570 108.800 -0.036 0.000 2.195 268 G HA2 -0.196 3.768 3.960 0.006 0.000 0.246 268 G HA3 -0.196 3.768 3.960 0.006 0.000 0.246 268 G C -0.058 174.820 174.900 -0.038 0.000 0.984 268 G CA -0.123 44.955 45.100 -0.036 0.000 0.633 268 G HN 0.688 nan 8.290 nan 0.000 0.525 269 E N -0.096 120.080 120.200 -0.040 0.000 2.242 269 E HA 0.543 4.897 4.350 0.006 0.000 0.275 269 E C -0.131 176.450 176.600 -0.031 0.000 1.002 269 E CA -0.756 55.625 56.400 -0.032 0.000 0.841 269 E CB 2.386 32.066 29.700 -0.032 0.000 1.109 269 E HN 0.083 nan 8.360 nan 0.000 0.394 270 V N 2.906 122.815 119.914 -0.008 0.000 2.509 270 V HA 0.280 4.403 4.120 0.006 0.000 0.284 270 V C 0.101 176.272 176.094 0.129 0.000 1.047 270 V CA -0.417 61.883 62.300 0.000 0.000 0.952 270 V CB 1.169 32.937 31.823 -0.093 0.000 0.988 270 V HN 0.485 nan 8.190 nan 0.000 0.469 271 V N 2.838 122.813 119.914 0.101 0.000 3.040 271 V HA 0.734 4.858 4.120 0.006 0.000 0.312 271 V C -0.580 175.587 176.094 0.121 0.000 1.115 271 V CA -1.200 61.171 62.300 0.118 0.000 0.998 271 V CB 2.014 33.798 31.823 -0.066 0.000 1.042 271 V HN 0.891 nan 8.190 nan 0.000 0.433 272 R N 2.424 122.952 120.500 0.047 0.000 2.393 272 R HA 0.731 5.075 4.340 0.006 0.000 0.310 272 R C -1.377 174.879 176.300 -0.073 0.000 0.968 272 R CA -0.735 55.359 56.100 -0.009 0.000 0.867 272 R CB 1.458 31.728 30.300 -0.050 0.000 1.124 272 R HN 0.888 nan 8.270 nan 0.000 0.450 273 I N 4.478 125.008 120.570 -0.066 0.000 2.339 273 I HA 0.283 4.456 4.170 0.006 0.000 0.290 273 I C -0.093 175.994 176.117 -0.050 0.000 0.994 273 I CA -0.990 60.253 61.300 -0.095 0.000 1.191 273 I CB 1.530 39.463 38.000 -0.111 0.000 1.343 273 I HN 0.484 nan 8.210 nan 0.000 0.458 274 R N 5.717 126.195 120.500 -0.037 0.000 2.196 274 R HA 0.351 4.694 4.340 0.006 0.000 0.340 274 R C -0.240 176.060 176.300 0.001 0.000 1.043 274 R CA 0.009 56.112 56.100 0.004 0.000 0.883 274 R CB 0.376 30.697 30.300 0.035 0.000 1.078 274 R HN 0.677 nan 8.270 nan 0.000 0.462 275 S N 2.237 117.918 115.700 -0.033 0.000 3.781 275 S HA -0.008 4.466 4.470 0.006 0.000 0.657 275 S C -1.130 173.359 174.600 -0.184 0.000 0.579 275 S CA 0.293 58.456 58.200 -0.062 0.000 1.435 275 S CB -1.382 61.886 63.200 0.115 0.000 0.862 275 S HN 1.061 nan 8.310 nan 0.000 0.955 276 A N 3.721 126.287 122.820 -0.424 0.000 2.413 276 A HA 0.974 5.298 4.320 0.006 0.000 0.307 276 A C 0.124 177.208 177.584 -0.833 0.000 1.087 276 A CA 0.044 51.766 52.037 -0.524 0.000 0.750 276 A CB 1.779 20.479 19.000 -0.500 0.000 1.296 276 A HN 1.600 nan 8.150 nan 0.000 0.423 277 T N -1.582 112.723 114.554 -0.415 0.000 2.887 277 T HA 0.559 4.912 4.350 0.006 0.000 0.288 277 T C -0.703 174.075 174.700 0.130 0.000 1.021 277 T CA -0.445 61.567 62.100 -0.148 0.000 1.000 277 T CB 1.099 69.969 68.868 0.004 0.000 1.034 277 T HN 0.700 nan 8.240 nan 0.000 0.467 278 Y N 1.990 122.477 120.300 0.311 0.000 2.402 278 Y HA 0.322 4.875 4.550 0.006 0.000 0.333 278 Y C 0.239 176.269 175.900 0.218 0.000 1.076 278 Y CA -0.396 57.898 58.100 0.322 0.000 1.299 278 Y CB 0.583 39.234 38.460 0.319 0.000 1.197 278 Y HN 0.754 nan 8.280 nan 0.000 0.517 279 D N 5.583 125.807 120.400 -0.294 0.000 2.352 279 D HA 0.042 4.685 4.640 0.006 0.000 0.245 279 D C 0.435 176.580 176.300 -0.257 0.000 1.224 279 D CA 0.237 54.124 54.000 -0.188 0.000 0.879 279 D CB 0.704 41.427 40.800 -0.128 0.000 1.057 279 D HN 0.800 nan 8.370 nan 0.000 0.491 280 E N 1.193 121.410 120.200 0.029 0.000 2.274 280 E HA -0.101 4.252 4.350 0.006 0.000 0.194 280 E C 1.440 178.082 176.600 0.069 0.000 0.996 280 E CA 0.893 57.382 56.400 0.148 0.000 0.840 280 E CB 0.218 30.033 29.700 0.192 0.000 0.772 280 E HN 0.574 nan 8.360 nan 0.000 0.491 281 T N -2.092 112.475 114.554 0.021 0.000 3.129 281 T HA 0.105 4.458 4.350 0.006 0.000 0.251 281 T C 0.851 175.547 174.700 -0.007 0.000 1.117 281 T CA -0.246 61.862 62.100 0.014 0.000 1.034 281 T CB 0.318 69.193 68.868 0.012 0.000 0.968 281 T HN -0.223 nan 8.240 nan 0.000 0.526 282 S N 2.385 118.064 115.700 -0.035 0.000 2.404 282 S HA 0.332 4.806 4.470 0.006 0.000 0.309 282 S C 1.459 176.041 174.600 -0.030 0.000 1.076 282 S CA -0.451 57.723 58.200 -0.043 0.000 1.095 282 S CB 1.148 64.306 63.200 -0.069 0.000 0.972 282 S HN 0.686 nan 8.310 nan 0.000 0.484 283 T N 1.245 115.790 114.554 -0.015 0.000 2.939 283 T HA -0.032 4.322 4.350 0.006 0.000 0.254 283 T C 1.452 176.143 174.700 -0.015 0.000 1.041 283 T CA 0.293 62.391 62.100 -0.004 0.000 1.142 283 T CB -0.087 68.782 68.868 0.002 0.000 0.874 283 T HN 0.372 nan 8.240 nan 0.000 0.452 284 Q N 1.836 121.620 119.800 -0.027 0.000 2.230 284 Q HA 0.154 4.498 4.340 0.006 0.000 0.202 284 Q C 0.725 176.692 176.000 -0.055 0.000 0.963 284 Q CA 0.988 56.769 55.803 -0.037 0.000 0.866 284 Q CB -0.098 28.616 28.738 -0.039 0.000 0.931 284 Q HN 0.827 nan 8.270 nan 0.000 0.452 285 K N -1.057 119.301 120.400 -0.069 0.000 2.536 285 K HA 0.428 4.752 4.320 0.006 0.000 0.269 285 K C -0.763 175.789 176.600 -0.082 0.000 0.965 285 K CA -0.975 55.267 56.287 -0.074 0.000 0.860 285 K CB 1.484 33.892 32.500 -0.153 0.000 1.423 285 K HN -0.406 nan 8.250 nan 0.000 0.438 286 K N 1.699 122.025 120.400 -0.123 0.000 2.349 286 K HA 0.271 4.595 4.320 0.006 0.000 0.289 286 K C -0.676 175.874 176.600 -0.084 0.000 1.064 286 K CA -0.419 55.640 56.287 -0.379 0.000 0.947 286 K CB 1.110 32.982 32.500 -1.047 0.000 1.007 286 K HN 0.450 nan 8.250 nan 0.000 0.478 287 V N 5.010 124.956 119.914 0.054 0.000 2.680 287 V HA 0.439 4.563 4.120 0.006 0.000 0.309 287 V C 0.000 176.264 176.094 0.282 0.000 1.052 287 V CA -0.981 61.451 62.300 0.219 0.000 0.908 287 V CB 2.050 33.914 31.823 0.069 0.000 1.001 287 V HN 0.542 nan 8.190 nan 0.000 0.431 288 L N 4.984 126.365 121.223 0.263 0.000 2.317 288 L HA 0.607 4.950 4.340 0.006 0.000 0.281 288 L C -0.601 176.289 176.870 0.034 0.000 1.024 288 L CA -0.460 54.443 54.840 0.104 0.000 0.810 288 L CB 1.821 43.893 42.059 0.023 0.000 1.240 288 L HN 0.460 nan 8.230 nan 0.000 0.427 289 I N 3.980 124.541 120.570 -0.014 0.000 2.359 289 I HA 0.373 4.546 4.170 0.006 0.000 0.294 289 I C -0.277 175.793 176.117 -0.078 0.000 0.987 289 I CA -0.417 60.864 61.300 -0.031 0.000 1.225 289 I CB 1.465 39.450 38.000 -0.025 0.000 1.366 289 I HN 0.366 nan 8.210 nan 0.000 0.466 290 L N 4.751 125.933 121.223 -0.068 0.000 2.330 290 L HA 0.569 4.913 4.340 0.006 0.000 0.271 290 L C -0.025 176.759 176.870 -0.143 0.000 1.013 290 L CA -0.466 54.316 54.840 -0.097 0.000 0.816 290 L CB 1.907 43.950 42.059 -0.028 0.000 1.287 290 L HN 0.557 nan 8.230 nan 0.000 0.435 291 S N -2.204 113.335 115.700 -0.269 0.000 2.739 291 S HA 0.234 4.707 4.470 0.006 0.000 0.306 291 S C 0.772 175.165 174.600 -0.345 0.000 1.115 291 S CA -0.576 57.380 58.200 -0.407 0.000 0.985 291 S CB 1.333 63.968 63.200 -0.941 0.000 1.133 291 S HN 0.833 nan 8.310 nan 0.000 0.541 292 H N -0.026 118.794 119.070 -0.418 0.000 2.422 292 H HA -0.166 4.393 4.556 0.006 0.000 0.298 292 H C 1.468 176.761 175.328 -0.057 0.000 1.098 292 H CA 2.104 58.039 56.048 -0.189 0.000 1.315 292 H CB -0.565 29.174 29.762 -0.039 0.000 1.382 292 H HN 0.758 nan 8.280 nan 0.000 0.523 293 Y N 0.466 120.563 120.300 -0.339 0.000 2.544 293 Y HA 0.358 4.911 4.550 0.006 0.000 0.286 293 Y C 0.631 176.510 175.900 -0.034 0.000 1.141 293 Y CA -0.609 57.310 58.100 -0.301 0.000 1.299 293 Y CB -0.413 37.512 38.460 -0.892 0.000 1.030 293 Y HN 0.017 nan 8.280 nan 0.000 0.543 294 S N 1.887 117.555 115.700 -0.053 0.000 2.576 294 S HA 0.124 4.597 4.470 0.006 0.000 0.272 294 S C -0.198 174.558 174.600 0.259 0.000 1.352 294 S CA -0.387 57.861 58.200 0.081 0.000 1.021 294 S CB 0.418 63.600 63.200 -0.029 0.000 0.887 294 S HN 0.534 nan 8.310 nan 0.000 0.542 295 N N 0.290 119.110 118.700 0.201 0.000 2.277 295 N HA 0.479 5.223 4.740 0.006 0.000 0.286 295 N C -1.734 173.719 175.510 -0.096 0.000 1.140 295 N CA -0.549 52.660 53.050 0.264 0.000 0.799 295 N CB 1.056 39.722 38.487 0.299 0.000 1.596 295 N HN 0.510 nan 8.380 nan 0.000 0.473 296 I N 3.243 123.583 120.570 -0.383 0.000 2.382 296 I HA 0.451 4.625 4.170 0.006 0.000 0.286 296 I C -0.473 175.615 176.117 -0.048 0.000 1.002 296 I CA -0.545 60.487 61.300 -0.447 0.000 1.135 296 I CB 1.158 38.588 38.000 -0.950 0.000 1.288 296 I HN 0.350 nan 8.210 nan 0.000 0.448 297 I N 5.422 125.967 120.570 -0.042 0.000 2.433 297 I HA 0.364 4.537 4.170 0.006 0.000 0.292 297 I C 0.627 176.684 176.117 -0.100 0.000 1.001 297 I CA -0.495 60.808 61.300 0.005 0.000 1.119 297 I CB 2.215 40.147 38.000 -0.114 0.000 1.289 297 I HN 0.553 nan 8.210 nan 0.000 0.438 298 T N 1.494 116.048 114.554 -0.000 0.000 2.852 298 T HA 0.608 4.961 4.350 0.006 0.000 0.281 298 T C -0.483 174.124 174.700 -0.155 0.000 0.993 298 T CA -0.390 61.722 62.100 0.020 0.000 0.933 298 T CB 0.951 69.885 68.868 0.110 0.000 1.187 298 T HN 0.182 nan 8.240 nan 0.000 0.559 299 F N 0.047 120.000 119.950 0.004 0.000 2.546 299 F HA 0.538 5.068 4.527 0.005 0.000 0.320 299 F C 0.559 176.308 175.800 -0.086 0.000 1.076 299 F CA -1.730 56.255 58.000 -0.024 0.000 0.928 299 F CB 1.336 40.353 39.000 0.027 0.000 1.189 299 F HN 0.673 nan 8.300 nan 0.000 0.465 300 I N -0.310 120.236 120.570 -0.039 0.000 2.836 300 I HA 0.113 4.286 4.170 0.006 0.000 0.285 300 I C 1.030 177.135 176.117 -0.020 0.000 1.174 300 I CA -0.423 60.818 61.300 -0.098 0.000 1.405 300 I CB 0.471 38.319 38.000 -0.254 0.000 1.385 300 I HN 0.741 nan 8.210 nan 0.000 0.594 301 Q N 2.770 122.561 119.800 -0.014 0.000 2.197 301 Q HA -0.231 4.112 4.340 0.006 0.000 0.211 301 Q C 2.165 178.170 176.000 0.008 0.000 0.993 301 Q CA 2.456 58.260 55.803 0.002 0.000 0.883 301 Q CB -0.313 28.423 28.738 -0.003 0.000 0.916 301 Q HN 0.987 nan 8.270 nan 0.000 0.418 302 S N -0.121 115.584 115.700 0.009 0.000 2.515 302 S HA -0.020 4.454 4.470 0.006 0.000 0.231 302 S C 1.023 175.668 174.600 0.076 0.000 0.987 302 S CA 0.114 58.335 58.200 0.035 0.000 0.936 302 S CB 0.051 63.278 63.200 0.046 0.000 0.766 302 S HN 0.178 nan 8.310 nan 0.000 0.528 303 S N 1.904 117.670 115.700 0.110 0.000 2.629 303 S HA 0.057 4.530 4.470 0.006 0.000 0.302 303 S C 1.107 175.711 174.600 0.006 0.000 1.244 303 S CA -0.280 58.016 58.200 0.160 0.000 1.098 303 S CB 0.478 63.793 63.200 0.193 0.000 0.858 303 S HN 0.628 nan 8.310 nan 0.000 0.502 304 K N 4.046 124.439 120.400 -0.012 0.000 2.057 304 K HA -0.100 4.224 4.320 0.006 0.000 0.206 304 K C 1.904 178.435 176.600 -0.116 0.000 1.050 304 K CA 1.247 57.495 56.287 -0.065 0.000 0.935 304 K CB -0.225 32.232 32.500 -0.073 0.000 0.715 304 K HN 0.648 nan 8.250 nan 0.000 0.439 305 L N 1.155 122.277 121.223 -0.167 0.000 2.017 305 L HA -0.089 4.255 4.340 0.006 0.000 0.208 305 L C 2.231 178.894 176.870 -0.346 0.000 1.073 305 L CA 2.181 56.869 54.840 -0.253 0.000 0.745 305 L CB -0.787 41.075 42.059 -0.329 0.000 0.894 305 L HN 0.226 nan 8.230 nan 0.000 0.432 306 A N -0.821 121.715 122.820 -0.474 0.000 1.902 306 A HA -0.224 4.099 4.320 0.006 0.000 0.217 306 A C 2.513 179.980 177.584 -0.195 0.000 1.181 306 A CA 1.991 53.785 52.037 -0.405 0.000 0.623 306 A CB -0.796 17.989 19.000 -0.359 0.000 0.818 306 A HN 0.367 nan 8.150 nan 0.000 0.443 307 K N 0.004 120.320 120.400 -0.140 0.000 2.026 307 K HA -0.162 4.161 4.320 0.006 0.000 0.208 307 K C 1.931 178.480 176.600 -0.086 0.000 1.048 307 K CA 1.956 58.191 56.287 -0.088 0.000 0.929 307 K CB -0.674 31.788 32.500 -0.064 0.000 0.713 307 K HN 0.776 nan 8.250 nan 0.000 0.439 308 E N -0.194 119.949 120.200 -0.096 0.000 2.077 308 E HA -0.130 4.224 4.350 0.006 0.000 0.193 308 E C 2.104 178.656 176.600 -0.079 0.000 0.989 308 E CA 1.482 57.835 56.400 -0.078 0.000 0.800 308 E CB -0.162 29.494 29.700 -0.074 0.000 0.746 308 E HN 0.157 nan 8.360 nan 0.000 0.452 309 L N 0.791 121.950 121.223 -0.107 0.000 2.156 309 L HA -0.101 4.243 4.340 0.006 0.000 0.208 309 L C 2.201 179.021 176.870 -0.083 0.000 1.095 309 L CA 1.423 56.203 54.840 -0.098 0.000 0.770 309 L CB -0.441 41.536 42.059 -0.136 0.000 0.914 309 L HN 0.001 nan 8.230 nan 0.000 0.439 310 R N -1.024 119.425 120.500 -0.085 0.000 2.081 310 R HA -0.124 4.219 4.340 0.006 0.000 0.235 310 R C 2.194 178.461 176.300 -0.054 0.000 1.131 310 R CA 1.367 57.428 56.100 -0.066 0.000 0.960 310 R CB -0.398 29.866 30.300 -0.060 0.000 0.856 310 R HN 0.382 nan 8.270 nan 0.000 0.436 311 A N 1.314 124.103 122.820 -0.052 0.000 1.874 311 A HA -0.154 4.169 4.320 0.006 0.000 0.214 311 A C 2.046 179.605 177.584 -0.042 0.000 1.189 311 A CA 1.270 53.281 52.037 -0.044 0.000 0.615 311 A CB -0.291 18.685 19.000 -0.041 0.000 0.830 311 A HN 0.230 nan 8.150 nan 0.000 0.443 312 K N -0.298 120.076 120.400 -0.043 0.000 2.057 312 K HA -0.014 4.310 4.320 0.006 0.000 0.206 312 K C 0.083 176.661 176.600 -0.038 0.000 1.050 312 K CA 0.770 57.034 56.287 -0.038 0.000 0.935 312 K CB -0.246 32.233 32.500 -0.035 0.000 0.715 312 K HN 0.475 nan 8.250 nan 0.000 0.439 313 I N 2.675 123.218 120.570 -0.044 0.000 2.395 313 I HA 0.103 4.276 4.170 0.006 0.000 0.289 313 I C -0.172 175.913 176.117 -0.054 0.000 1.023 313 I CA -0.541 60.732 61.300 -0.046 0.000 1.350 313 I CB 1.389 39.360 38.000 -0.047 0.000 1.409 313 I HN 0.238 nan 8.210 nan 0.000 0.507 314 Q N 4.021 123.784 119.800 -0.060 0.000 2.456 314 Q HA 0.356 4.700 4.340 0.006 0.000 0.283 314 Q C -1.339 174.595 176.000 -0.109 0.000 1.084 314 Q CA -0.818 54.938 55.803 -0.078 0.000 0.801 314 Q CB 2.689 31.387 28.738 -0.067 0.000 1.434 314 Q HN 0.450 nan 8.270 nan 0.000 0.419 315 D N 1.236 121.539 120.400 -0.163 0.000 2.274 315 D HA 0.125 4.769 4.640 0.006 0.000 0.239 315 D C -0.012 176.074 176.300 -0.357 0.000 1.104 315 D CA -0.173 53.665 54.000 -0.270 0.000 0.840 315 D CB 0.933 41.519 40.800 -0.356 0.000 1.100 315 D HN 0.467 nan 8.370 nan 0.000 0.477 316 D N 1.875 122.122 120.400 -0.255 0.000 2.369 316 D HA -0.031 4.612 4.640 0.006 0.000 0.211 316 D C 0.049 176.317 176.300 -0.053 0.000 1.077 316 D CA -0.076 53.835 54.000 -0.149 0.000 0.842 316 D CB -0.557 40.212 40.800 -0.053 0.000 0.947 316 D HN 0.641 nan 8.370 nan 0.000 0.509 317 H N -0.938 118.155 119.070 0.038 0.000 2.899 317 H HA -0.166 4.394 4.556 0.006 0.000 0.282 317 H C 1.196 176.582 175.328 0.097 0.000 1.198 317 H CA 0.551 56.655 56.048 0.094 0.000 1.140 317 H CB -2.115 27.739 29.762 0.153 0.000 1.317 317 H HN 0.030 nan 8.280 nan 0.000 0.375 318 S N -0.474 115.299 115.700 0.122 0.000 2.370 318 S HA -0.168 4.305 4.470 0.006 0.000 0.226 318 S C 2.337 176.990 174.600 0.089 0.000 1.033 318 S CA 1.319 59.573 58.200 0.091 0.000 1.011 318 S CB -0.032 63.195 63.200 0.045 0.000 0.852 318 S HN 0.356 nan 8.310 nan 0.000 0.457 319 V N 1.600 121.568 119.914 0.091 0.000 2.343 319 V HA -0.179 3.944 4.120 0.006 0.000 0.247 319 V C 2.338 178.470 176.094 0.063 0.000 1.051 319 V CA 1.826 64.176 62.300 0.084 0.000 1.036 319 V CB -0.788 31.119 31.823 0.139 0.000 0.654 319 V HN 0.371 nan 8.190 nan 0.000 0.451 320 E N 0.134 120.390 120.200 0.094 0.000 2.051 320 E HA -0.156 4.198 4.350 0.006 0.000 0.192 320 E C 2.172 178.741 176.600 -0.052 0.000 0.991 320 E CA 1.332 57.727 56.400 -0.008 0.000 0.799 320 E CB -0.492 29.222 29.700 0.024 0.000 0.748 320 E HN 0.398 nan 8.360 nan 0.000 0.449 321 V N 0.912 120.875 119.914 0.083 0.000 2.407 321 V HA -0.280 3.843 4.120 0.006 0.000 0.248 321 V C 2.169 178.278 176.094 0.026 0.000 1.055 321 V CA 1.862 64.213 62.300 0.085 0.000 1.049 321 V CB -0.778 31.134 31.823 0.148 0.000 0.662 321 V HN 0.362 nan 8.190 nan 0.000 0.455 322 A N 0.603 123.438 122.820 0.025 0.000 1.929 322 A HA -0.154 4.169 4.320 0.006 0.000 0.216 322 A C 2.516 180.091 177.584 -0.015 0.000 1.176 322 A CA 1.851 53.893 52.037 0.009 0.000 0.628 322 A CB -0.641 18.368 19.000 0.014 0.000 0.816 322 A HN 0.674 nan 8.150 nan 0.000 0.444 323 S N 0.094 115.773 115.700 -0.035 0.000 2.423 323 S HA -0.036 4.437 4.470 0.006 0.000 0.231 323 S C 1.726 176.284 174.600 -0.070 0.000 1.014 323 S CA 1.223 59.389 58.200 -0.058 0.000 0.965 323 S CB -0.664 62.484 63.200 -0.086 0.000 0.785 323 S HN 0.448 nan 8.310 nan 0.000 0.495 324 L N 0.490 121.661 121.223 -0.087 0.000 2.362 324 L HA 0.056 4.399 4.340 0.006 0.000 0.219 324 L C 2.254 179.100 176.870 -0.040 0.000 1.134 324 L CA 1.022 55.810 54.840 -0.087 0.000 0.807 324 L CB -0.348 41.644 42.059 -0.112 0.000 0.927 324 L HN 0.337 nan 8.230 nan 0.000 0.447 325 K N -0.250 120.135 120.400 -0.024 0.000 2.426 325 K HA 0.069 4.392 4.320 0.006 0.000 0.193 325 K C 0.293 176.887 176.600 -0.009 0.000 1.028 325 K CA 0.237 56.518 56.287 -0.010 0.000 1.047 325 K CB 0.266 32.765 32.500 -0.002 0.000 0.821 325 K HN 0.224 nan 8.250 nan 0.000 0.513 326 K N 0.618 121.010 120.400 -0.014 0.000 2.098 326 K HA 0.185 4.509 4.320 0.006 0.000 0.261 326 K C 0.208 176.807 176.600 -0.002 0.000 0.987 326 K CA -0.261 56.021 56.287 -0.007 0.000 0.916 326 K CB 1.107 33.601 32.500 -0.009 0.000 1.039 326 K HN 0.012 nan 8.250 nan 0.000 0.455 327 N N -0.192 118.510 118.700 0.005 0.000 2.188 327 N HA -0.085 4.658 4.740 0.006 0.000 0.184 327 N C -0.328 175.199 175.510 0.028 0.000 1.018 327 N CA 0.587 53.644 53.050 0.011 0.000 0.858 327 N CB 0.310 38.801 38.487 0.007 0.000 0.989 327 N HN 0.096 nan 8.380 nan 0.000 0.426 328 V N 0.308 120.242 119.914 0.033 0.000 2.525 328 V HA 0.244 4.368 4.120 0.006 0.000 0.299 328 V C -0.676 175.462 176.094 0.072 0.000 1.034 328 V CA -0.826 61.521 62.300 0.077 0.000 0.863 328 V CB 1.682 33.535 31.823 0.049 0.000 0.999 328 V HN -0.045 nan 8.190 nan 0.000 0.423 329 S N 4.679 120.435 115.700 0.094 0.000 2.422 329 S HA 0.511 4.985 4.470 0.006 0.000 0.308 329 S C 0.708 175.330 174.600 0.036 0.000 1.097 329 S CA -0.638 57.568 58.200 0.009 0.000 1.099 329 S CB 0.768 63.920 63.200 -0.080 0.000 0.976 329 S HN 0.665 nan 8.310 nan 0.000 0.471 330 L N 4.341 125.568 121.223 0.007 0.000 2.599 330 L HA 0.133 4.476 4.340 0.006 0.000 0.230 330 L C 0.920 177.707 176.870 -0.138 0.000 1.141 330 L CA 0.153 54.998 54.840 0.009 0.000 0.877 330 L CB -0.458 41.594 42.059 -0.011 0.000 1.009 330 L HN 0.702 nan 8.230 nan 0.000 0.447 331 N N 0.337 118.908 118.700 -0.215 0.000 2.361 331 N HA 0.415 5.158 4.740 0.006 0.000 0.302 331 N C -0.475 174.839 175.510 -0.325 0.000 1.074 331 N CA -0.501 52.337 53.050 -0.355 0.000 0.850 331 N CB 2.242 40.493 38.487 -0.394 0.000 1.228 331 N HN -0.143 nan 8.380 nan 0.000 0.491 332 A N 1.380 123.957 122.820 -0.405 0.000 2.386 332 A HA 0.429 4.753 4.320 0.006 0.000 0.248 332 A C -0.180 177.244 177.584 -0.266 0.000 1.082 332 A CA -0.359 51.420 52.037 -0.431 0.000 0.789 332 A CB 0.371 18.823 19.000 -0.913 0.000 1.025 332 A HN 0.525 nan 8.150 nan 0.000 0.490 333 V N 2.846 122.641 119.914 -0.198 0.000 2.482 333 V HA 0.248 4.372 4.120 0.006 0.000 0.295 333 V C -0.396 175.645 176.094 -0.089 0.000 1.026 333 V CA -0.537 61.657 62.300 -0.178 0.000 0.856 333 V CB 1.588 33.229 31.823 -0.303 0.000 1.001 333 V HN 0.620 nan 8.190 nan 0.000 0.424 334 V N 6.690 126.588 119.914 -0.027 0.000 2.356 334 V HA 0.198 4.322 4.120 0.006 0.000 0.258 334 V C 1.240 177.383 176.094 0.081 0.000 1.065 334 V CA 0.020 62.339 62.300 0.031 0.000 0.935 334 V CB 0.978 32.821 31.823 0.032 0.000 1.061 334 V HN 0.779 nan 8.190 nan 0.000 0.484 335 L N 3.846 125.098 121.223 0.048 0.000 2.376 335 L HA 0.025 4.369 4.340 0.006 0.000 0.219 335 L C 1.259 178.160 176.870 0.052 0.000 1.133 335 L CA 0.878 55.791 54.840 0.123 0.000 0.816 335 L CB -0.403 41.670 42.059 0.024 0.000 0.933 335 L HN 0.849 nan 8.230 nan 0.000 0.449 336 T N -2.590 111.945 114.554 -0.031 0.000 2.864 336 T HA 0.582 4.936 4.350 0.006 0.000 0.289 336 T C -0.711 173.946 174.700 -0.072 0.000 1.082 336 T CA -0.869 61.166 62.100 -0.109 0.000 1.009 336 T CB 2.652 71.447 68.868 -0.122 0.000 1.234 336 T HN 0.209 nan 8.240 nan 0.000 0.526 337 E N -0.100 120.053 120.200 -0.078 0.000 2.331 337 E HA 0.595 4.949 4.350 0.006 0.000 0.275 337 E C -0.751 175.845 176.600 -0.006 0.000 0.895 337 E CA -1.285 55.094 56.400 -0.035 0.000 0.753 337 E CB 2.263 31.937 29.700 -0.043 0.000 1.216 337 E HN 0.752 nan 8.360 nan 0.000 0.434 338 V N -0.205 119.727 119.914 0.029 0.000 2.863 338 V HA 0.351 4.475 4.120 0.006 0.000 0.307 338 V C 0.395 176.536 176.094 0.078 0.000 1.061 338 V CA -0.772 61.574 62.300 0.076 0.000 1.024 338 V CB 1.506 33.390 31.823 0.102 0.000 1.049 338 V HN 0.917 nan 8.190 nan 0.000 0.471 339 D N 2.034 122.504 120.400 0.117 0.000 2.449 339 D HA -0.020 4.623 4.640 0.006 0.000 0.236 339 D C 1.476 177.781 176.300 0.008 0.000 1.149 339 D CA 0.670 54.700 54.000 0.050 0.000 0.878 339 D CB 1.731 42.553 40.800 0.037 0.000 1.198 339 D HN 0.853 nan 8.370 nan 0.000 0.446 340 K N 3.294 123.679 120.400 -0.025 0.000 2.160 340 K HA -0.224 4.100 4.320 0.006 0.000 0.206 340 K C 1.752 178.309 176.600 -0.073 0.000 1.047 340 K CA 1.781 58.047 56.287 -0.034 0.000 0.930 340 K CB -0.840 31.640 32.500 -0.033 0.000 0.720 340 K HN 0.738 nan 8.250 nan 0.000 0.450 341 K N -0.519 119.782 120.400 -0.166 0.000 2.442 341 K HA -0.109 4.215 4.320 0.006 0.000 0.198 341 K C 1.103 177.517 176.600 -0.310 0.000 1.042 341 K CA 1.540 57.671 56.287 -0.261 0.000 0.958 341 K CB -0.245 32.041 32.500 -0.357 0.000 0.766 341 K HN 0.523 nan 8.250 nan 0.000 0.474 342 H N -0.565 118.505 119.070 0.000 0.000 2.893 342 H HA 0.318 4.878 4.556 0.006 0.000 0.270 342 H C 1.611 176.939 175.328 0.001 0.000 1.095 342 H CA 0.293 56.341 56.048 0.001 0.000 1.186 342 H CB 0.805 30.572 29.762 0.009 0.000 1.562 342 H HN 0.323 nan 8.280 nan 0.000 0.536 343 A N 1.122 123.990 122.820 0.080 0.000 2.024 343 A HA -0.080 4.243 4.320 0.006 0.000 0.220 343 A C 2.327 179.934 177.584 0.038 0.000 1.164 343 A CA 1.732 53.798 52.037 0.049 0.000 0.643 343 A CB -0.319 18.692 19.000 0.019 0.000 0.806 343 A HN 0.356 nan 8.150 nan 0.000 0.451 344 A N -1.601 121.241 122.820 0.036 0.000 2.267 344 A HA 0.467 4.790 4.320 0.006 0.000 0.213 344 A C 0.717 178.320 177.584 0.032 0.000 1.192 344 A CA -0.217 51.835 52.037 0.025 0.000 0.851 344 A CB -0.260 18.748 19.000 0.013 0.000 0.881 344 A HN 0.471 nan 8.150 nan 0.000 0.494 345 L N 2.498 123.753 121.223 0.054 0.000 2.455 345 L HA 0.276 4.619 4.340 0.006 0.000 0.272 345 L C -1.968 174.920 176.870 0.030 0.000 1.174 345 L CA -1.602 53.264 54.840 0.044 0.000 0.869 345 L CB 0.180 42.277 42.059 0.063 0.000 1.130 345 L HN 0.110 nan 8.230 nan 0.000 0.474 346 P HA 0.147 nan 4.420 nan 0.000 0.274 346 P C -0.977 176.345 177.300 0.037 0.000 1.231 346 P CA -0.428 62.687 63.100 0.024 0.000 0.790 346 P CB 0.868 32.580 31.700 0.021 0.000 0.951 347 S N 0.400 116.121 115.700 0.035 0.000 2.585 347 S HA 0.470 4.943 4.470 0.006 0.000 0.277 347 S C 0.018 174.649 174.600 0.051 0.000 1.241 347 S CA -0.233 57.993 58.200 0.043 0.000 1.041 347 S CB 0.591 63.807 63.200 0.026 0.000 0.987 347 S HN 0.449 nan 8.310 nan 0.000 0.512 348 T N 2.112 116.700 114.554 0.057 0.000 2.824 348 T HA 0.450 4.803 4.350 0.006 0.000 0.282 348 T C 0.247 174.940 174.700 -0.012 0.000 0.993 348 T CA -0.779 61.342 62.100 0.036 0.000 0.967 348 T CB 1.402 70.308 68.868 0.064 0.000 0.960 348 T HN 0.676 nan 8.240 nan 0.000 0.441 349 S N 2.871 118.564 115.700 -0.012 0.000 2.600 349 S HA 0.289 4.763 4.470 0.006 0.000 0.265 349 S C 1.475 176.041 174.600 -0.057 0.000 1.325 349 S CA -0.775 57.415 58.200 -0.017 0.000 1.002 349 S CB 0.229 63.424 63.200 -0.008 0.000 0.921 349 S HN 0.622 nan 8.310 nan 0.000 0.554 350 L N 0.617 121.798 121.223 -0.070 0.000 2.141 350 L HA -0.115 4.228 4.340 0.006 0.000 0.209 350 L C 3.061 179.857 176.870 -0.124 0.000 1.094 350 L CA 1.529 56.287 54.840 -0.136 0.000 0.763 350 L CB -0.668 41.167 42.059 -0.374 0.000 0.908 350 L HN 0.874 nan 8.230 nan 0.000 0.437 351 Q N 0.276 120.030 119.800 -0.076 0.000 2.096 351 Q HA -0.249 4.095 4.340 0.006 0.000 0.204 351 Q C 1.594 177.655 176.000 0.101 0.000 0.982 351 Q CA 1.999 57.823 55.803 0.034 0.000 0.850 351 Q CB 0.131 28.875 28.738 0.010 0.000 0.901 351 Q HN 0.454 nan 8.270 nan 0.000 0.422 352 D N -0.040 120.420 120.400 0.100 0.000 2.123 352 D HA -0.108 4.536 4.640 0.006 0.000 0.200 352 D C 1.865 178.142 176.300 -0.038 0.000 0.976 352 D CA 0.528 54.615 54.000 0.145 0.000 0.831 352 D CB -0.112 40.735 40.800 0.078 0.000 0.974 352 D HN 0.181 nan 8.370 nan 0.000 0.469 353 L N -0.379 120.722 121.223 -0.203 0.000 2.042 353 L HA -0.120 4.223 4.340 0.006 0.000 0.210 353 L C 1.866 178.477 176.870 -0.431 0.000 1.076 353 L CA 1.581 56.113 54.840 -0.512 0.000 0.749 353 L CB -0.563 41.003 42.059 -0.822 0.000 0.893 353 L HN 0.018 nan 8.230 nan 0.000 0.432 354 F N -3.027 116.801 119.950 -0.203 0.000 2.678 354 F HA 0.101 4.631 4.527 0.006 0.000 0.291 354 F C 2.206 177.811 175.800 -0.326 0.000 1.123 354 F CA 0.302 58.180 58.000 -0.205 0.000 1.395 354 F CB -0.030 38.817 39.000 -0.255 0.000 1.121 354 F HN 0.155 nan 8.300 nan 0.000 0.592 355 H N -2.651 116.364 119.070 -0.093 0.000 2.874 355 H HA 0.245 4.805 4.556 0.006 0.000 0.264 355 H C 0.641 175.674 175.328 -0.491 0.000 1.007 355 H CA 0.710 56.573 56.048 -0.308 0.000 1.207 355 H CB 0.382 29.863 29.762 -0.468 0.000 1.487 355 H HN 0.414 nan 8.280 nan 0.000 0.505 356 H N -0.932 118.194 119.070 0.093 0.000 3.622 356 H HA 0.292 4.852 4.556 0.006 0.000 0.259 356 H C 1.971 177.300 175.328 0.003 0.000 1.145 356 H CA 0.477 56.550 56.048 0.042 0.000 1.178 356 H CB 0.851 30.634 29.762 0.034 0.000 1.542 356 H HN 0.175 nan 8.280 nan 0.000 0.586 357 A N 0.588 123.433 122.820 0.042 0.000 2.186 357 A HA -0.147 4.177 4.320 0.006 0.000 0.219 357 A C 1.054 178.644 177.584 0.011 0.000 1.159 357 A CA 1.720 53.758 52.037 0.002 0.000 0.680 357 A CB -0.072 18.870 19.000 -0.096 0.000 0.787 357 A HN 0.277 nan 8.150 nan 0.000 0.467 358 D N -1.341 119.063 120.400 0.007 0.000 2.440 358 D HA 0.109 4.752 4.640 0.006 0.000 0.216 358 D C 0.996 177.311 176.300 0.026 0.000 1.150 358 D CA 0.968 54.967 54.000 -0.002 0.000 0.832 358 D CB 0.462 41.240 40.800 -0.035 0.000 0.992 358 D HN 0.537 nan 8.370 nan 0.000 0.502 359 S N -1.511 114.225 115.700 0.059 0.000 2.820 359 S HA 0.059 4.532 4.470 0.006 0.000 0.265 359 S C 0.047 174.684 174.600 0.062 0.000 1.043 359 S CA -0.575 57.664 58.200 0.065 0.000 1.245 359 S CB 1.193 64.447 63.200 0.090 0.000 1.187 359 S HN -0.017 nan 8.310 nan 0.000 0.673 360 D N 2.000 122.441 120.400 0.068 0.000 2.381 360 D HA 0.264 4.907 4.640 0.006 0.000 0.235 360 D C 0.717 177.045 176.300 0.047 0.000 1.068 360 D CA -0.285 53.744 54.000 0.048 0.000 0.832 360 D CB 1.793 42.625 40.800 0.054 0.000 1.101 360 D HN 0.133 nan 8.370 nan 0.000 0.515 361 K N 2.833 123.252 120.400 0.031 0.000 2.059 361 K HA -0.302 4.022 4.320 0.006 0.000 0.212 361 K C 1.774 178.396 176.600 0.036 0.000 1.050 361 K CA 2.359 58.663 56.287 0.028 0.000 0.927 361 K CB 0.098 32.608 32.500 0.017 0.000 0.714 361 K HN 0.516 nan 8.250 nan 0.000 0.447 362 E N 1.160 121.384 120.200 0.039 0.000 2.106 362 E HA -0.102 4.252 4.350 0.006 0.000 0.192 362 E C 2.027 178.679 176.600 0.087 0.000 0.984 362 E CA 1.337 57.765 56.400 0.046 0.000 0.806 362 E CB -0.660 29.063 29.700 0.038 0.000 0.750 362 E HN 0.430 nan 8.360 nan 0.000 0.458 363 L N -0.218 121.079 121.223 0.124 0.000 2.109 363 L HA -0.134 4.209 4.340 0.006 0.000 0.207 363 L C 2.955 179.965 176.870 0.234 0.000 1.086 363 L CA 1.321 56.300 54.840 0.232 0.000 0.760 363 L CB -0.277 41.887 42.059 0.174 0.000 0.910 363 L HN 0.356 nan 8.230 nan 0.000 0.437 364 Q N -0.044 119.832 119.800 0.128 0.000 2.291 364 Q HA -0.100 4.244 4.340 0.006 0.000 0.205 364 Q C 2.211 178.253 176.000 0.070 0.000 0.970 364 Q CA 1.142 57.001 55.803 0.092 0.000 0.876 364 Q CB -0.121 28.647 28.738 0.050 0.000 0.935 364 Q HN 0.527 nan 8.270 nan 0.000 0.455 365 A N 0.409 123.261 122.820 0.054 0.000 2.167 365 A HA 0.064 4.387 4.320 0.006 0.000 0.214 365 A C 1.163 178.730 177.584 -0.028 0.000 1.151 365 A CA 0.959 53.003 52.037 0.011 0.000 0.735 365 A CB -0.262 18.739 19.000 0.002 0.000 0.802 365 A HN 0.346 nan 8.150 nan 0.000 0.467 366 Q N -0.267 119.507 119.800 -0.043 0.000 2.348 366 Q HA 0.525 4.868 4.340 0.006 0.000 0.271 366 Q C -0.121 175.766 176.000 -0.187 0.000 1.067 366 Q CA -0.093 55.571 55.803 -0.231 0.000 0.839 366 Q CB 1.213 29.616 28.738 -0.559 0.000 1.354 366 Q HN 0.542 nan 8.270 nan 0.000 0.447 367 D N -1.630 118.632 120.400 -0.230 0.000 2.479 367 D HA 0.117 4.761 4.640 0.006 0.000 0.221 367 D C -0.018 176.253 176.300 -0.049 0.000 1.104 367 D CA 0.787 54.772 54.000 -0.025 0.000 0.849 367 D CB 0.776 41.575 40.800 -0.002 0.000 1.072 367 D HN 0.397 nan 8.370 nan 0.000 0.502 368 T N 0.537 114.881 114.554 -0.350 0.000 2.797 368 T HA 0.581 4.935 4.350 0.006 0.000 0.279 368 T C -0.991 173.379 174.700 -0.549 0.000 0.991 368 T CA -0.379 61.573 62.100 -0.247 0.000 0.979 368 T CB 1.005 69.772 68.868 -0.169 0.000 0.943 368 T HN -0.091 nan 8.240 nan 0.000 0.444 369 F N 0.890 120.806 119.950 -0.056 0.000 2.650 369 F HA 0.682 5.213 4.527 0.006 0.000 0.320 369 F C 0.220 175.960 175.800 -0.099 0.000 1.091 369 F CA -1.349 56.605 58.000 -0.076 0.000 0.962 369 F CB 1.861 40.800 39.000 -0.102 0.000 1.363 369 F HN 0.261 nan 8.300 nan 0.000 0.482 370 R N 0.456 121.034 120.500 0.131 0.000 2.599 370 R HA 0.746 5.090 4.340 0.006 0.000 0.295 370 R C -1.340 174.997 176.300 0.062 0.000 0.963 370 R CA -0.191 55.941 56.100 0.053 0.000 0.883 370 R CB 2.080 32.393 30.300 0.021 0.000 1.171 370 R HN 0.846 nan 8.270 nan 0.000 0.450 371 T N 1.842 116.427 114.554 0.051 0.000 2.792 371 T HA 0.426 4.779 4.350 0.006 0.000 0.303 371 T C -1.782 172.926 174.700 0.013 0.000 1.310 371 T CA -0.570 61.565 62.100 0.059 0.000 1.007 371 T CB 1.830 70.751 68.868 0.090 0.000 1.335 371 T HN 0.559 nan 8.240 nan 0.000 0.504 372 Q N 0.917 120.738 119.800 0.035 0.000 2.397 372 Q HA 0.834 5.177 4.340 0.006 0.000 0.275 372 Q C -1.287 174.778 176.000 0.109 0.000 1.090 372 Q CA -0.580 55.188 55.803 -0.058 0.000 0.809 372 Q CB 2.116 30.866 28.738 0.019 0.000 1.362 372 Q HN 0.652 nan 8.270 nan 0.000 0.431 373 F N -1.636 118.443 119.950 0.216 0.000 2.807 373 F HA 0.660 5.191 4.527 0.006 0.000 0.316 373 F C -1.864 173.940 175.800 0.008 0.000 1.162 373 F CA -1.713 56.355 58.000 0.113 0.000 0.910 373 F CB 0.602 39.576 39.000 -0.043 0.000 1.314 373 F HN 0.486 nan 8.300 nan 0.000 0.454 374 Y N -0.333 120.005 120.300 0.064 0.000 2.468 374 Y HA 0.837 5.391 4.550 0.006 0.000 0.342 374 Y C -1.226 174.682 175.900 0.013 0.000 1.021 374 Y CA -1.975 55.979 58.100 -0.242 0.000 1.079 374 Y CB 1.308 39.373 38.460 -0.658 0.000 1.226 374 Y HN 0.543 nan 8.280 nan 0.000 0.460 375 V N 3.071 123.042 119.914 0.094 0.000 2.406 375 V HA 0.134 4.258 4.120 0.006 0.000 0.272 375 V C 0.921 177.054 176.094 0.065 0.000 1.043 375 V CA 0.354 62.641 62.300 -0.021 0.000 0.915 375 V CB 0.925 32.618 31.823 -0.216 0.000 0.988 375 V HN 1.120 nan 8.190 nan 0.000 0.466 376 T N 1.376 115.953 114.554 0.039 0.000 3.031 376 T HA 0.169 4.523 4.350 0.006 0.000 0.254 376 T C 0.535 175.278 174.700 0.071 0.000 1.060 376 T CA 0.296 62.451 62.100 0.093 0.000 1.135 376 T CB 0.311 69.216 68.868 0.061 0.000 0.896 376 T HN 0.508 nan 8.240 nan 0.000 0.472 377 K N 0.009 120.445 120.400 0.061 0.000 2.542 377 K HA 0.595 4.919 4.320 0.006 0.000 0.259 377 K C -2.080 174.607 176.600 0.145 0.000 0.932 377 K CA -0.920 55.421 56.287 0.091 0.000 0.820 377 K CB 2.082 34.620 32.500 0.063 0.000 1.345 377 K HN 0.202 nan 8.250 nan 0.000 0.432 378 I N 2.870 123.560 120.570 0.201 0.000 2.433 378 I HA 0.334 4.507 4.170 0.006 0.000 0.292 378 I C -0.604 175.641 176.117 0.214 0.000 1.001 378 I CA -0.703 60.764 61.300 0.277 0.000 1.119 378 I CB 2.034 40.273 38.000 0.398 0.000 1.289 378 I HN 0.547 nan 8.210 nan 0.000 0.438 379 E N 7.214 127.484 120.200 0.116 0.000 2.238 379 E HA 0.422 4.775 4.350 0.006 0.000 0.267 379 E C -2.521 174.104 176.600 0.041 0.000 0.887 379 E CA -1.901 54.560 56.400 0.102 0.000 0.769 379 E CB 2.416 32.150 29.700 0.056 0.000 1.187 379 E HN 0.300 nan 8.360 nan 0.000 0.416 380 P HA 0.043 nan 4.420 nan 0.000 0.274 380 P C 0.146 177.636 177.300 0.317 0.000 1.237 380 P CA -0.118 63.107 63.100 0.207 0.000 0.793 380 P CB 1.143 32.959 31.700 0.195 0.000 0.977 381 S N -0.267 115.557 115.700 0.207 0.000 2.370 381 S HA -0.139 4.335 4.470 0.006 0.000 0.226 381 S C 0.878 175.571 174.600 0.156 0.000 1.033 381 S CA 1.256 59.568 58.200 0.186 0.000 1.011 381 S CB -0.756 62.510 63.200 0.109 0.000 0.852 381 S HN 0.632 nan 8.310 nan 0.000 0.457 382 D N 1.528 121.992 120.400 0.106 0.000 2.346 382 D HA 0.127 4.770 4.640 0.006 0.000 0.260 382 D C 0.947 177.184 176.300 -0.106 0.000 1.252 382 D CA -0.032 53.970 54.000 0.004 0.000 0.895 382 D CB 0.976 41.788 40.800 0.021 0.000 1.097 382 D HN -0.085 nan 8.370 nan 0.000 0.489 383 V N 5.116 124.803 119.914 -0.379 0.000 2.469 383 V HA -0.247 3.877 4.120 0.006 0.000 0.251 383 V C 2.295 177.970 176.094 -0.698 0.000 1.064 383 V CA 1.575 63.259 62.300 -1.027 0.000 1.066 383 V CB -0.384 30.840 31.823 -0.998 0.000 0.667 383 V HN 0.588 nan 8.190 nan 0.000 0.461 384 K N -0.166 119.982 120.400 -0.421 0.000 2.209 384 K HA -0.140 4.184 4.320 0.006 0.000 0.204 384 K C 1.741 178.118 176.600 -0.370 0.000 1.048 384 K CA 0.989 56.991 56.287 -0.474 0.000 0.940 384 K CB -0.088 32.094 32.500 -0.531 0.000 0.729 384 K HN 0.420 nan 8.250 nan 0.000 0.451 385 E N -0.603 119.532 120.200 -0.109 0.000 2.476 385 E HA -0.066 4.287 4.350 0.006 0.000 0.191 385 E C 1.041 177.757 176.600 0.194 0.000 1.064 385 E CA 0.206 56.648 56.400 0.070 0.000 0.866 385 E CB 0.085 29.857 29.700 0.121 0.000 0.952 385 E HN 0.365 nan 8.360 nan 0.000 0.492 386 W N 0.869 122.133 121.300 -0.059 0.000 2.402 386 W HA -0.058 4.606 4.660 0.006 0.000 0.286 386 W C 0.786 177.265 176.519 -0.067 0.000 1.221 386 W CA 0.323 57.669 57.345 0.001 0.000 1.257 386 W CB -0.301 29.206 29.460 0.078 0.000 1.120 386 W HN -0.267 nan 8.180 nan 0.000 0.551 387 V N 1.664 121.596 119.914 0.030 0.000 2.398 387 V HA 0.297 4.421 4.120 0.006 0.000 0.286 387 V C 0.152 176.200 176.094 -0.075 0.000 1.026 387 V CA -0.990 61.197 62.300 -0.189 0.000 0.868 387 V CB 1.357 32.960 31.823 -0.367 0.000 0.982 387 V HN -0.220 nan 8.190 nan 0.000 0.443 388 K N 2.267 122.623 120.400 -0.073 0.000 2.395 388 K HA 0.709 5.032 4.320 0.006 0.000 0.245 388 K C 0.046 176.644 176.600 -0.003 0.000 1.017 388 K CA -0.783 55.494 56.287 -0.017 0.000 0.852 388 K CB 2.345 34.835 32.500 -0.016 0.000 1.311 388 K HN 0.800 nan 8.250 nan 0.000 0.452 389 G N 0.542 109.357 108.800 0.026 0.000 2.372 389 G HA2 0.285 4.248 3.960 0.006 0.000 0.283 389 G HA3 0.285 4.248 3.960 0.006 0.000 0.283 389 G C -1.647 173.317 174.900 0.108 0.000 1.177 389 G CA 0.055 45.181 45.100 0.044 0.000 0.842 389 G HN 0.434 nan 8.290 nan 0.000 0.503 390 Y N 1.932 122.211 120.300 -0.035 0.000 2.328 390 Y HA 0.387 4.940 4.550 0.006 0.000 0.336 390 Y C -0.754 175.135 175.900 -0.018 0.000 0.960 390 Y CA -1.684 56.398 58.100 -0.031 0.000 1.134 390 Y CB 2.027 40.469 38.460 -0.031 0.000 1.166 390 Y HN 0.475 nan 8.280 nan 0.000 0.464 391 D N 5.819 125.919 120.400 -0.501 0.000 2.411 391 D HA 0.197 4.840 4.640 0.006 0.000 0.225 391 D C 0.816 176.664 176.300 -0.754 0.000 1.156 391 D CA -0.202 53.532 54.000 -0.444 0.000 0.874 391 D CB 0.816 41.468 40.800 -0.248 0.000 1.034 391 D HN 0.703 nan 8.370 nan 0.000 0.502 392 R N 3.104 123.252 120.500 -0.587 0.000 2.091 392 R HA -0.185 4.159 4.340 0.006 0.000 0.238 392 R C 2.165 178.321 176.300 -0.241 0.000 1.136 392 R CA 1.689 57.538 56.100 -0.419 0.000 0.959 392 R CB -1.013 29.215 30.300 -0.120 0.000 0.856 392 R HN 0.408 nan 8.270 nan 0.000 0.437 393 K N 1.365 121.658 120.400 -0.178 0.000 2.063 393 K HA -0.137 4.187 4.320 0.006 0.000 0.208 393 K C 2.132 178.672 176.600 -0.099 0.000 1.048 393 K CA 2.124 58.347 56.287 -0.105 0.000 0.928 393 K CB -1.366 31.085 32.500 -0.081 0.000 0.713 393 K HN 0.612 nan 8.250 nan 0.000 0.442 394 T N -2.963 111.510 114.554 -0.135 0.000 3.086 394 T HA 0.157 4.511 4.350 0.006 0.000 0.250 394 T C 0.309 174.961 174.700 -0.080 0.000 1.074 394 T CA 0.344 62.389 62.100 -0.092 0.000 0.988 394 T CB 0.000 68.820 68.868 -0.080 0.000 0.988 394 T HN 0.379 nan 8.240 nan 0.000 0.530 395 K N 0.257 120.570 120.400 -0.145 0.000 3.077 395 K HA -0.123 4.201 4.320 0.006 0.000 0.264 395 K C -0.045 176.606 176.600 0.084 0.000 1.008 395 K CA 1.410 57.693 56.287 -0.006 0.000 0.740 395 K CB -2.763 29.794 32.500 0.096 0.000 1.273 395 K HN 0.879 nan 8.250 nan 0.000 0.477 396 K N 0.074 120.451 120.400 -0.038 0.000 2.422 396 K HA 0.670 4.993 4.320 0.006 0.000 0.251 396 K C 0.080 176.732 176.600 0.088 0.000 0.933 396 K CA -0.138 56.179 56.287 0.049 0.000 0.798 396 K CB 1.633 34.130 32.500 -0.005 0.000 1.238 396 K HN 0.291 nan 8.250 nan 0.000 0.428 397 S N -0.241 115.541 115.700 0.137 0.000 2.638 397 S HA 0.868 5.341 4.470 0.006 0.000 0.298 397 S C 0.092 174.718 174.600 0.044 0.000 1.111 397 S CA 0.175 58.452 58.200 0.128 0.000 1.027 397 S CB 1.227 64.473 63.200 0.077 0.000 1.064 397 S HN 1.697 nan 8.310 nan 0.000 0.525 398 S N 0.122 115.841 115.700 0.032 0.000 2.570 398 S HA 0.610 5.084 4.470 0.006 0.000 0.270 398 S C -0.444 174.165 174.600 0.016 0.000 1.149 398 S CA -0.818 57.390 58.200 0.013 0.000 0.837 398 S CB 1.005 64.205 63.200 0.000 0.000 1.124 398 S HN 1.024 nan 8.310 nan 0.000 0.465 399 S N 0.108 115.816 115.700 0.013 0.000 2.568 399 S HA 0.248 4.722 4.470 0.006 0.000 0.282 399 S C 0.587 175.186 174.600 -0.002 0.000 1.338 399 S CA -0.590 57.626 58.200 0.026 0.000 1.045 399 S CB -0.367 62.836 63.200 0.004 0.000 0.873 399 S HN 0.640 nan 8.310 nan 0.000 0.516 400 L N 4.125 125.368 121.223 0.033 0.000 2.628 400 L HA 0.230 4.573 4.340 0.006 0.000 0.229 400 L C 2.199 178.964 176.870 -0.175 0.000 1.137 400 L CA 0.060 54.900 54.840 0.001 0.000 0.909 400 L CB -0.243 41.880 42.059 0.108 0.000 1.137 400 L HN 0.735 nan 8.230 nan 0.000 0.470 401 K N 0.973 121.101 120.400 -0.454 0.000 2.209 401 K HA -0.117 4.206 4.320 0.006 0.000 0.204 401 K C 1.878 178.310 176.600 -0.280 0.000 1.048 401 K CA 1.243 57.131 56.287 -0.665 0.000 0.940 401 K CB -0.014 32.122 32.500 -0.607 0.000 0.729 401 K HN 0.369 nan 8.250 nan 0.000 0.451 402 G N 0.123 108.822 108.800 -0.169 0.000 2.650 402 G HA2 0.196 4.160 3.960 0.006 0.000 0.214 402 G HA3 0.196 4.160 3.960 0.006 0.000 0.214 402 G C 0.199 175.053 174.900 -0.075 0.000 1.136 402 G CA 0.460 45.500 45.100 -0.100 0.000 0.789 402 G HN 0.553 nan 8.290 nan 0.000 0.536 403 A N -0.657 122.117 122.820 -0.077 0.000 6.890 403 A HA 0.319 4.643 4.320 0.006 0.000 0.242 403 A C 1.023 178.590 177.584 -0.028 0.000 2.184 403 A CA 1.256 53.268 52.037 -0.041 0.000 0.705 403 A CB -1.727 17.252 19.000 -0.034 0.000 0.983 403 A HN 2.545 nan 8.150 nan 0.000 0.384 404 S N -2.036 113.654 115.700 -0.017 0.000 3.232 404 S HA 0.378 4.852 4.470 0.006 0.000 0.706 404 S C 1.651 176.243 174.600 -0.013 0.000 0.765 404 S CA 0.969 59.161 58.200 -0.014 0.000 1.402 404 S CB -1.875 61.316 63.200 -0.016 0.000 1.062 404 S HN 3.144 nan 8.310 nan 0.000 0.744 405 G N 3.105 111.900 108.800 -0.009 0.000 2.721 405 G HA2 0.289 4.253 3.960 0.006 0.000 0.342 405 G HA3 0.289 4.253 3.960 0.006 0.000 0.342 405 G C 0.626 175.518 174.900 -0.013 0.000 0.146 405 G CA 0.628 45.723 45.100 -0.008 0.000 1.204 405 G HN 2.228 nan 8.290 nan 0.000 0.499 406 K N 1.380 121.774 120.400 -0.011 0.000 2.397 406 K HA 0.661 4.985 4.320 0.006 0.000 0.202 406 K C 1.666 178.256 176.600 -0.018 0.000 1.022 406 K CA 1.156 57.434 56.287 -0.016 0.000 1.141 406 K CB 0.172 32.666 32.500 -0.011 0.000 0.857 406 K HN 2.603 nan 8.250 nan 0.000 0.514 407 G N 0.150 108.944 108.800 -0.010 0.000 2.306 407 G HA2 -0.004 3.960 3.960 0.006 0.000 0.262 407 G HA3 -0.004 3.960 3.960 0.006 0.000 0.262 407 G C -1.832 173.081 174.900 0.021 0.000 1.263 407 G CA -0.369 44.727 45.100 -0.007 0.000 1.088 407 G HN 0.371 nan 8.290 nan 0.000 0.489 408 D N 1.323 121.753 120.400 0.049 0.000 2.350 408 D HA 0.443 5.086 4.640 0.006 0.000 0.249 408 D C 0.363 176.702 176.300 0.064 0.000 1.119 408 D CA -0.209 53.828 54.000 0.062 0.000 0.886 408 D CB 0.465 41.320 40.800 0.092 0.000 1.195 408 D HN 0.416 nan 8.370 nan 0.000 0.437 409 N N 1.667 120.382 118.700 0.025 0.000 2.520 409 N HA 0.381 5.124 4.740 0.006 0.000 0.273 409 N C -0.234 175.255 175.510 -0.035 0.000 1.155 409 N CA -0.169 52.870 53.050 -0.018 0.000 0.967 409 N CB 0.757 39.211 38.487 -0.054 0.000 1.092 409 N HN 0.484 nan 8.380 nan 0.000 0.457 410 I N -2.535 117.988 120.570 -0.079 0.000 3.095 410 I HA 0.567 4.741 4.170 0.006 0.000 0.310 410 I C -1.131 174.890 176.117 -0.160 0.000 1.196 410 I CA -1.062 60.192 61.300 -0.077 0.000 0.985 410 I CB 1.532 39.486 38.000 -0.077 0.000 1.250 410 I HN 0.054 nan 8.210 nan 0.000 0.446 411 F N 1.452 121.398 119.950 -0.007 0.000 2.385 411 F HA 0.467 4.998 4.527 0.006 0.000 0.336 411 F C 0.503 176.208 175.800 -0.159 0.000 1.100 411 F CA 0.077 58.078 58.000 0.002 0.000 1.116 411 F CB 1.471 40.536 39.000 0.107 0.000 1.166 411 F HN 0.539 nan 8.300 nan 0.000 0.511 412 Q N 3.559 123.330 119.800 -0.047 0.000 3.484 412 Q HA 0.437 4.780 4.340 0.006 0.000 0.255 412 Q C -2.062 173.792 176.000 -0.244 0.000 0.909 412 Q CA -0.212 55.322 55.803 -0.450 0.000 0.774 412 Q CB 1.048 29.421 28.738 -0.608 0.000 1.431 412 Q HN 0.518 nan 8.270 nan 0.000 0.423 413 V N 1.874 121.704 119.914 -0.140 0.000 2.581 413 V HA 0.483 4.606 4.120 0.006 0.000 0.303 413 V C -0.504 175.402 176.094 -0.312 0.000 1.041 413 V CA -0.683 61.413 62.300 -0.341 0.000 0.907 413 V CB 1.845 33.274 31.823 -0.656 0.000 0.994 413 V HN 0.596 nan 8.190 nan 0.000 0.442 414 Q N 3.105 122.708 119.800 -0.329 0.000 2.310 414 Q HA 0.544 4.888 4.340 0.006 0.000 0.270 414 Q C -1.857 174.027 176.000 -0.194 0.000 1.025 414 Q CA -0.410 55.225 55.803 -0.281 0.000 0.772 414 Q CB 1.557 30.230 28.738 -0.107 0.000 1.253 414 Q HN 0.692 nan 8.270 nan 0.000 0.450 415 F N 2.961 122.818 119.950 -0.155 0.000 2.399 415 F HA 0.396 4.926 4.527 0.006 0.000 0.334 415 F C -0.294 175.400 175.800 -0.177 0.000 1.097 415 F CA -1.236 56.675 58.000 -0.149 0.000 1.076 415 F CB 1.153 40.050 39.000 -0.171 0.000 1.162 415 F HN 0.340 nan 8.300 nan 0.000 0.495 416 L N 4.719 125.973 121.223 0.052 0.000 2.277 416 L HA 0.434 4.777 4.340 0.006 0.000 0.284 416 L C -0.092 176.695 176.870 -0.138 0.000 1.028 416 L CA -0.667 54.127 54.840 -0.077 0.000 0.835 416 L CB 1.010 43.031 42.059 -0.064 0.000 1.215 416 L HN 0.390 nan 8.230 nan 0.000 0.425 417 V N 1.469 121.235 119.914 -0.246 0.000 3.096 417 V HA 0.816 4.939 4.120 0.006 0.000 0.319 417 V C -0.373 175.542 176.094 -0.298 0.000 1.103 417 V CA -0.793 61.303 62.300 -0.340 0.000 1.016 417 V CB 2.291 33.711 31.823 -0.673 0.000 1.090 417 V HN 0.721 nan 8.190 nan 0.000 0.449 418 K N 0.289 120.383 120.400 -0.509 0.000 2.533 418 K HA 0.621 4.944 4.320 0.006 0.000 0.272 418 K C -1.952 174.354 176.600 -0.489 0.000 0.985 418 K CA -0.308 55.697 56.287 -0.469 0.000 0.876 418 K CB 2.249 34.411 32.500 -0.563 0.000 1.452 418 K HN 1.174 nan 8.250 nan 0.000 0.439 419 D N -0.023 120.312 120.400 -0.107 0.000 2.825 419 D HA 0.298 4.942 4.640 0.006 0.000 0.327 419 D C 0.351 176.767 176.300 0.193 0.000 1.277 419 D CA -0.240 53.843 54.000 0.138 0.000 0.950 419 D CB 0.486 41.366 40.800 0.133 0.000 1.438 419 D HN 0.439 nan 8.370 nan 0.000 0.526 420 A N 0.215 123.142 122.820 0.179 0.000 1.877 420 A HA -0.110 4.214 4.320 0.006 0.000 0.216 420 A C 2.035 179.634 177.584 0.025 0.000 1.186 420 A CA 3.098 55.190 52.037 0.093 0.000 0.620 420 A CB -1.293 17.717 19.000 0.016 0.000 0.822 420 A HN 0.805 nan 8.150 nan 0.000 0.443 421 S N -0.610 115.093 115.700 0.003 0.000 2.469 421 S HA -0.085 4.388 4.470 0.006 0.000 0.238 421 S C 1.276 175.863 174.600 -0.021 0.000 0.998 421 S CA 1.737 59.920 58.200 -0.029 0.000 0.957 421 S CB -0.807 62.376 63.200 -0.030 0.000 0.764 421 S HN 0.861 nan 8.310 nan 0.000 0.514 422 T N -2.506 112.057 114.554 0.015 0.000 3.231 422 T HA 0.330 4.683 4.350 0.006 0.000 0.292 422 T C 1.203 175.957 174.700 0.090 0.000 1.001 422 T CA -0.054 62.080 62.100 0.057 0.000 0.920 422 T CB 0.136 69.079 68.868 0.124 0.000 1.140 422 T HN 0.375 nan 8.240 nan 0.000 0.525 423 Q N 1.087 120.939 119.800 0.086 0.000 2.133 423 Q HA -0.108 4.236 4.340 0.006 0.000 0.208 423 Q C 1.593 177.652 176.000 0.098 0.000 0.991 423 Q CA 1.779 57.656 55.803 0.122 0.000 0.867 423 Q CB -0.293 28.509 28.738 0.107 0.000 0.911 423 Q HN 0.664 nan 8.270 nan 0.000 0.417 424 L N 0.971 122.230 121.223 0.060 0.000 2.529 424 L HA 0.073 4.416 4.340 0.006 0.000 0.223 424 L C 0.809 177.702 176.870 0.039 0.000 1.113 424 L CA -0.296 54.573 54.840 0.048 0.000 0.861 424 L CB -0.411 41.668 42.059 0.035 0.000 1.012 424 L HN 0.281 nan 8.230 nan 0.000 0.461 425 N N -0.507 118.218 118.700 0.042 0.000 2.317 425 N HA -0.121 4.622 4.740 0.006 0.000 0.245 425 N C 0.294 175.815 175.510 0.019 0.000 1.294 425 N CA -0.148 52.920 53.050 0.032 0.000 0.924 425 N CB 0.114 38.627 38.487 0.043 0.000 1.186 425 N HN -0.156 nan 8.380 nan 0.000 0.495 426 N N -0.981 117.718 118.700 -0.003 0.000 2.378 426 N HA 0.131 4.875 4.740 0.006 0.000 0.243 426 N C -1.436 174.026 175.510 -0.081 0.000 1.137 426 N CA -0.382 52.651 53.050 -0.028 0.000 0.862 426 N CB -0.491 37.982 38.487 -0.023 0.000 1.116 426 N HN 0.400 nan 8.380 nan 0.000 0.499 427 N N -1.154 117.477 118.700 -0.116 0.000 2.328 427 N HA 0.353 5.097 4.740 0.006 0.000 0.299 427 N C -1.085 174.167 175.510 -0.429 0.000 1.179 427 N CA -0.315 52.545 53.050 -0.318 0.000 0.793 427 N CB 1.751 39.956 38.487 -0.470 0.000 1.366 427 N HN -0.075 nan 8.380 nan 0.000 0.493 428 T N 0.186 114.346 114.554 -0.655 0.000 2.909 428 T HA 0.625 4.978 4.350 0.006 0.000 0.299 428 T C -1.695 172.463 174.700 -0.904 0.000 1.073 428 T CA -0.409 61.363 62.100 -0.547 0.000 0.999 428 T CB 0.379 69.080 68.868 -0.278 0.000 1.098 428 T HN 0.267 nan 8.240 nan 0.000 0.477 429 Y N 1.888 121.908 120.300 -0.466 0.000 2.393 429 Y HA 0.564 5.117 4.550 0.006 0.000 0.341 429 Y C 0.777 176.396 175.900 -0.469 0.000 0.988 429 Y CA -1.188 56.478 58.100 -0.723 0.000 1.078 429 Y CB 1.242 38.834 38.460 -1.446 0.000 1.203 429 Y HN 0.370 nan 8.280 nan 0.000 0.453 430 R N 2.113 122.525 120.500 -0.147 0.000 2.316 430 R HA 0.483 4.827 4.340 0.006 0.000 0.314 430 R C -1.194 175.184 176.300 0.130 0.000 1.069 430 R CA -0.399 55.703 56.100 0.002 0.000 0.959 430 R CB 0.545 30.882 30.300 0.062 0.000 0.987 430 R HN 0.371 nan 8.270 nan 0.000 0.446 431 V N 5.858 125.760 119.914 -0.021 0.000 2.531 431 V HA 0.363 4.487 4.120 0.006 0.000 0.301 431 V C -0.056 175.923 176.094 -0.190 0.000 1.034 431 V CA -0.787 61.496 62.300 -0.028 0.000 0.865 431 V CB 1.831 33.560 31.823 -0.157 0.000 0.995 431 V HN 0.583 nan 8.190 nan 0.000 0.424 432 L N 4.823 125.902 121.223 -0.240 0.000 2.344 432 L HA 0.614 4.957 4.340 0.006 0.000 0.272 432 L C -0.610 176.036 176.870 -0.374 0.000 1.035 432 L CA -0.741 53.839 54.840 -0.433 0.000 0.807 432 L CB 1.687 43.300 42.059 -0.744 0.000 1.237 432 L HN 0.457 nan 8.230 nan 0.000 0.442 433 L N 2.819 123.846 121.223 -0.326 0.000 2.495 433 L HA 0.397 4.740 4.340 0.006 0.000 0.248 433 L C -1.410 175.529 176.870 0.115 0.000 1.229 433 L CA -0.019 54.662 54.840 -0.264 0.000 0.942 433 L CB 0.064 41.771 42.059 -0.588 0.000 1.242 433 L HN 0.248 nan 8.230 nan 0.000 0.484 434 Y N 0.886 121.076 120.300 -0.182 0.000 2.417 434 Y HA 0.369 4.923 4.550 0.006 0.000 0.336 434 Y C 1.448 177.293 175.900 -0.092 0.000 0.961 434 Y CA -1.038 56.980 58.100 -0.137 0.000 1.215 434 Y CB 1.330 39.685 38.460 -0.175 0.000 1.120 434 Y HN 0.519 nan 8.280 nan 0.000 0.499 435 T N -1.626 112.974 114.554 0.077 0.000 3.206 435 T HA -0.041 4.313 4.350 0.006 0.000 0.253 435 T C 1.409 176.113 174.700 0.006 0.000 1.042 435 T CA -0.261 61.883 62.100 0.074 0.000 0.931 435 T CB 0.124 69.103 68.868 0.185 0.000 1.029 435 T HN 0.561 nan 8.240 nan 0.000 0.564 436 Q N 2.754 122.485 119.800 -0.115 0.000 2.234 436 Q HA -0.175 4.168 4.340 0.006 0.000 0.206 436 Q C 0.117 176.096 176.000 -0.034 0.000 0.980 436 Q CA 2.085 57.769 55.803 -0.199 0.000 0.869 436 Q CB -0.748 27.597 28.738 -0.656 0.000 0.912 436 Q HN 0.774 nan 8.270 nan 0.000 0.436 437 D N -1.442 118.957 120.400 -0.002 0.000 2.593 437 D HA 0.440 5.083 4.640 0.006 0.000 0.241 437 D C 0.761 177.090 176.300 0.048 0.000 1.257 437 D CA 0.254 54.276 54.000 0.037 0.000 0.828 437 D CB 0.704 41.529 40.800 0.041 0.000 1.049 437 D HN 0.322 nan 8.370 nan 0.000 0.490 438 G N 0.480 109.313 108.800 0.055 0.000 2.258 438 G HA2 -0.279 3.685 3.960 0.006 0.000 0.233 438 G HA3 -0.279 3.685 3.960 0.006 0.000 0.233 438 G C 0.168 175.110 174.900 0.070 0.000 1.006 438 G CA -0.241 44.900 45.100 0.068 0.000 0.620 438 G HN 0.366 nan 8.290 nan 0.000 0.511 439 L N 1.403 122.660 121.223 0.057 0.000 2.597 439 L HA 0.400 4.743 4.340 0.006 0.000 0.271 439 L C 1.760 178.657 176.870 0.044 0.000 1.157 439 L CA 1.168 56.039 54.840 0.051 0.000 0.928 439 L CB 0.013 42.094 42.059 0.037 0.000 1.216 439 L HN 1.215 nan 8.230 nan 0.000 0.481 440 G N 2.402 111.234 108.800 0.053 0.000 2.159 440 G HA2 -0.336 3.628 3.960 0.006 0.000 0.256 440 G HA3 -0.336 3.628 3.960 0.006 0.000 0.256 440 G C 1.070 176.011 174.900 0.068 0.000 0.977 440 G CA 0.504 45.625 45.100 0.036 0.000 0.652 440 G HN 0.825 nan 8.290 nan 0.000 0.531 441 A N 0.512 123.402 122.820 0.118 0.000 1.927 441 A HA -0.126 4.198 4.320 0.006 0.000 0.220 441 A C 1.863 179.567 177.584 0.199 0.000 1.185 441 A CA 2.061 54.212 52.037 0.191 0.000 0.639 441 A CB -0.308 18.794 19.000 0.170 0.000 0.820 441 A HN 0.546 nan 8.150 nan 0.000 0.451 442 N N -1.496 117.290 118.700 0.144 0.000 2.279 442 N HA 0.115 4.859 4.740 0.006 0.000 0.226 442 N C 0.724 176.284 175.510 0.084 0.000 1.126 442 N CA -0.053 53.075 53.050 0.130 0.000 0.846 442 N CB 0.031 38.577 38.487 0.099 0.000 1.050 442 N HN 0.530 nan 8.380 nan 0.000 0.502 443 F N 0.958 120.823 119.950 -0.142 0.000 2.091 443 F HA -0.144 4.387 4.527 0.006 0.000 0.299 443 F C 1.300 176.926 175.800 -0.290 0.000 1.103 443 F CA 1.643 59.471 58.000 -0.287 0.000 1.228 443 F CB -0.172 38.516 39.000 -0.520 0.000 0.984 443 F HN -0.062 nan 8.300 nan 0.000 0.477 444 F N 0.411 120.382 119.950 0.034 0.000 2.811 444 F HA 0.083 4.613 4.527 0.006 0.000 0.301 444 F C 0.927 176.731 175.800 0.006 0.000 1.151 444 F CA 0.427 58.431 58.000 0.007 0.000 1.412 444 F CB -0.390 38.668 39.000 0.097 0.000 1.113 444 F HN 0.009 nan 8.300 nan 0.000 0.579 445 N N 0.179 118.968 118.700 0.149 0.000 2.741 445 N HA -0.165 4.578 4.740 0.006 0.000 0.250 445 N C -1.065 174.549 175.510 0.174 0.000 1.115 445 N CA 0.566 53.685 53.050 0.114 0.000 0.724 445 N CB -1.565 36.955 38.487 0.054 0.000 1.090 445 N HN 0.074 nan 8.380 nan 0.000 0.558 446 V N 0.714 120.791 119.914 0.271 0.000 2.447 446 V HA 0.198 4.321 4.120 0.006 0.000 0.292 446 V C 0.520 176.849 176.094 0.392 0.000 1.021 446 V CA -0.984 61.494 62.300 0.295 0.000 0.850 446 V CB 2.229 34.252 31.823 0.333 0.000 1.005 446 V HN 0.090 nan 8.190 nan 0.000 0.426 447 K N 3.603 124.164 120.400 0.268 0.000 2.382 447 K HA 0.516 4.839 4.320 0.006 0.000 0.275 447 K C 0.558 177.294 176.600 0.227 0.000 1.009 447 K CA -0.046 56.395 56.287 0.256 0.000 0.970 447 K CB 0.873 33.462 32.500 0.148 0.000 0.934 447 K HN 0.872 nan 8.250 nan 0.000 0.479 448 A N 3.724 126.652 122.820 0.181 0.000 2.565 448 A HA 0.025 4.349 4.320 0.006 0.000 0.237 448 A C -0.172 177.349 177.584 -0.104 0.000 1.053 448 A CA 0.447 52.378 52.037 -0.178 0.000 0.755 448 A CB 0.125 18.987 19.000 -0.229 0.000 0.980 448 A HN 0.888 nan 8.150 nan 0.000 0.506 449 D N 0.213 120.518 120.400 -0.157 0.000 2.639 449 D HA 0.142 4.786 4.640 0.006 0.000 0.271 449 D C -1.091 175.152 176.300 -0.094 0.000 1.254 449 D CA -0.577 53.376 54.000 -0.079 0.000 0.810 449 D CB 0.987 41.769 40.800 -0.031 0.000 1.351 449 D HN 0.433 nan 8.370 nan 0.000 0.427 450 N N 1.872 120.547 118.700 -0.043 0.000 2.406 450 N HA 0.069 4.812 4.740 0.006 0.000 0.265 450 N C 0.972 176.454 175.510 -0.046 0.000 1.203 450 N CA 0.187 53.231 53.050 -0.009 0.000 0.945 450 N CB 0.328 38.837 38.487 0.036 0.000 1.165 450 N HN 0.411 nan 8.380 nan 0.000 0.485 451 L N 3.245 124.384 121.223 -0.140 0.000 2.478 451 L HA -0.035 4.308 4.340 0.006 0.000 0.223 451 L C 1.608 178.331 176.870 -0.245 0.000 1.140 451 L CA 0.403 55.110 54.840 -0.222 0.000 0.842 451 L CB -0.325 41.546 42.059 -0.314 0.000 0.953 451 L HN 0.580 nan 8.230 nan 0.000 0.452 452 H N 0.462 119.496 119.070 -0.060 0.000 2.470 452 H HA -0.005 4.554 4.556 0.006 0.000 0.289 452 H C 1.631 176.934 175.328 -0.041 0.000 1.033 452 H CA 0.972 56.990 56.048 -0.049 0.000 1.331 452 H CB 0.444 30.182 29.762 -0.041 0.000 1.414 452 H HN 0.404 nan 8.280 nan 0.000 0.545 453 K N 0.233 120.674 120.400 0.069 0.000 2.262 453 K HA 0.011 4.335 4.320 0.006 0.000 0.200 453 K C 0.802 177.403 176.600 0.001 0.000 1.058 453 K CA -0.122 56.183 56.287 0.030 0.000 0.974 453 K CB 0.531 33.048 32.500 0.029 0.000 0.910 453 K HN -0.084 nan 8.250 nan 0.000 0.484 454 N N 1.442 120.134 118.700 -0.014 0.000 2.482 454 N HA 0.129 4.872 4.740 0.006 0.000 0.242 454 N C 0.202 175.690 175.510 -0.037 0.000 1.100 454 N CA -0.090 52.948 53.050 -0.021 0.000 0.946 454 N CB 1.280 39.756 38.487 -0.018 0.000 1.227 454 N HN 0.162 nan 8.380 nan 0.000 0.508 455 A N 3.356 126.159 122.820 -0.029 0.000 1.969 455 A HA -0.110 4.214 4.320 0.006 0.000 0.218 455 A C 1.653 179.216 177.584 -0.036 0.000 1.169 455 A CA 1.133 53.148 52.037 -0.038 0.000 0.635 455 A CB -0.088 18.897 19.000 -0.027 0.000 0.810 455 A HN 0.671 nan 8.150 nan 0.000 0.445 456 D N 0.221 120.609 120.400 -0.020 0.000 2.097 456 D HA -0.091 4.553 4.640 0.006 0.000 0.195 456 D C 2.287 178.581 176.300 -0.010 0.000 0.989 456 D CA 1.533 55.527 54.000 -0.010 0.000 0.827 456 D CB -0.239 40.563 40.800 0.002 0.000 0.966 456 D HN 0.436 nan 8.370 nan 0.000 0.456 457 A N 1.344 124.157 122.820 -0.010 0.000 1.898 457 A HA -0.184 4.140 4.320 0.006 0.000 0.216 457 A C 2.193 179.749 177.584 -0.047 0.000 1.181 457 A CA 1.427 53.463 52.037 -0.001 0.000 0.620 457 A CB -0.529 18.474 19.000 0.005 0.000 0.819 457 A HN 0.097 nan 8.150 nan 0.000 0.442 458 R N -0.275 120.171 120.500 -0.089 0.000 2.091 458 R HA -0.222 4.122 4.340 0.006 0.000 0.238 458 R C 2.190 178.402 176.300 -0.148 0.000 1.136 458 R CA 2.092 58.099 56.100 -0.157 0.000 0.959 458 R CB -0.200 30.003 30.300 -0.162 0.000 0.856 458 R HN 0.374 nan 8.270 nan 0.000 0.437 459 K N 0.943 121.289 120.400 -0.090 0.000 2.026 459 K HA -0.119 4.205 4.320 0.006 0.000 0.208 459 K C 1.788 178.357 176.600 -0.051 0.000 1.048 459 K CA 1.818 58.064 56.287 -0.068 0.000 0.929 459 K CB -0.008 32.469 32.500 -0.038 0.000 0.713 459 K HN 0.126 nan 8.250 nan 0.000 0.439 460 K N 0.084 120.469 120.400 -0.025 0.000 2.063 460 K HA -0.095 4.229 4.320 0.006 0.000 0.208 460 K C 2.074 178.678 176.600 0.006 0.000 1.048 460 K CA 1.679 57.974 56.287 0.014 0.000 0.928 460 K CB -0.213 32.317 32.500 0.049 0.000 0.713 460 K HN 0.150 nan 8.250 nan 0.000 0.442 461 L N 0.723 121.902 121.223 -0.073 0.000 2.093 461 L HA -0.157 4.187 4.340 0.006 0.000 0.208 461 L C 2.145 178.864 176.870 -0.251 0.000 1.085 461 L CA 1.182 55.911 54.840 -0.185 0.000 0.755 461 L CB -0.316 41.533 42.059 -0.351 0.000 0.904 461 L HN 0.211 nan 8.230 nan 0.000 0.435 462 E N 0.051 120.107 120.200 -0.240 0.000 2.106 462 E HA -0.207 4.147 4.350 0.006 0.000 0.192 462 E C 1.690 178.261 176.600 -0.049 0.000 0.984 462 E CA 1.163 57.448 56.400 -0.192 0.000 0.806 462 E CB 0.008 29.612 29.700 -0.159 0.000 0.750 462 E HN 0.429 nan 8.360 nan 0.000 0.458 463 D N 0.150 120.542 120.400 -0.013 0.000 2.117 463 D HA -0.088 4.556 4.640 0.006 0.000 0.197 463 D C 2.066 178.421 176.300 0.092 0.000 0.987 463 D CA 0.918 54.939 54.000 0.035 0.000 0.829 463 D CB -0.235 40.586 40.800 0.036 0.000 0.961 463 D HN -0.043 nan 8.370 nan 0.000 0.460 464 S N 0.461 116.248 115.700 0.145 0.000 2.382 464 S HA -0.140 4.333 4.470 0.006 0.000 0.228 464 S C 2.091 176.885 174.600 0.323 0.000 1.027 464 S CA 1.078 59.438 58.200 0.266 0.000 0.991 464 S CB -0.207 63.252 63.200 0.432 0.000 0.823 464 S HN 0.366 nan 8.310 nan 0.000 0.469 465 A N 1.450 124.475 122.820 0.342 0.000 1.908 465 A HA -0.140 4.184 4.320 0.006 0.000 0.218 465 A C 2.072 179.792 177.584 0.225 0.000 1.181 465 A CA 1.952 54.234 52.037 0.408 0.000 0.627 465 A CB -0.913 18.309 19.000 0.371 0.000 0.818 465 A HN 0.453 nan 8.150 nan 0.000 0.445 466 E N -0.764 119.519 120.200 0.138 0.000 2.110 466 E HA -0.131 4.223 4.350 0.006 0.000 0.193 466 E C 1.976 178.618 176.600 0.070 0.000 0.988 466 E CA 1.275 57.727 56.400 0.087 0.000 0.804 466 E CB -0.462 29.270 29.700 0.053 0.000 0.745 466 E HN 0.499 nan 8.360 nan 0.000 0.458 467 L N 0.110 121.379 121.223 0.075 0.000 2.056 467 L HA 0.082 4.425 4.340 0.006 0.000 0.207 467 L C 2.534 179.418 176.870 0.023 0.000 1.078 467 L CA 1.551 56.411 54.840 0.033 0.000 0.749 467 L CB -0.620 41.462 42.059 0.038 0.000 0.901 467 L HN 0.292 nan 8.230 nan 0.000 0.433 468 L N -1.078 120.187 121.223 0.071 0.000 2.083 468 L HA -0.205 4.139 4.340 0.006 0.000 0.209 468 L C 2.115 178.982 176.870 -0.004 0.000 1.083 468 L CA 1.784 56.636 54.840 0.019 0.000 0.752 468 L CB -0.800 41.276 42.059 0.028 0.000 0.899 468 L HN 0.454 nan 8.230 nan 0.000 0.433 469 T N -3.832 110.749 114.554 0.045 0.000 3.107 469 T HA 0.013 4.366 4.350 0.006 0.000 0.249 469 T C 0.744 175.471 174.700 0.046 0.000 1.096 469 T CA -0.278 61.854 62.100 0.053 0.000 1.012 469 T CB -0.015 68.905 68.868 0.087 0.000 0.977 469 T HN 0.067 nan 8.240 nan 0.000 0.527 470 K N 1.151 121.563 120.400 0.020 0.000 2.326 470 K HA 0.271 4.594 4.320 0.006 0.000 0.275 470 K C -0.323 176.274 176.600 -0.005 0.000 1.018 470 K CA -0.906 55.392 56.287 0.020 0.000 0.962 470 K CB 0.247 32.742 32.500 -0.009 0.000 0.953 470 K HN 0.208 nan 8.250 nan 0.000 0.475 471 F N 4.900 124.800 119.950 -0.083 0.000 2.607 471 F HA -0.036 4.495 4.527 0.006 0.000 0.374 471 F C 0.755 176.481 175.800 -0.124 0.000 1.104 471 F CA 0.806 58.729 58.000 -0.129 0.000 1.296 471 F CB 0.015 38.950 39.000 -0.108 0.000 1.085 471 F HN 0.930 nan 8.300 nan 0.000 0.584 472 N N 1.942 119.879 118.700 -1.271 0.000 2.948 472 N HA -0.230 4.513 4.740 0.006 0.000 0.239 472 N C -0.648 174.648 175.510 -0.357 0.000 0.954 472 N CA 1.083 53.555 53.050 -0.962 0.000 0.941 472 N CB -1.288 36.529 38.487 -1.116 0.000 1.101 472 N HN 0.477 nan 8.380 nan 0.000 0.579 473 S N 0.126 115.635 115.700 -0.319 0.000 2.525 473 S HA 0.576 5.050 4.470 0.006 0.000 0.278 473 S C -0.508 173.980 174.600 -0.187 0.000 1.234 473 S CA -0.185 57.913 58.200 -0.171 0.000 1.058 473 S CB 0.976 64.090 63.200 -0.144 0.000 0.983 473 S HN 0.228 nan 8.310 nan 0.000 0.495 474 Y N 0.663 120.894 120.300 -0.114 0.000 2.570 474 Y HA 0.573 5.127 4.550 0.006 0.000 0.345 474 Y C -0.231 175.585 175.900 -0.140 0.000 1.014 474 Y CA -0.873 57.185 58.100 -0.070 0.000 1.063 474 Y CB 1.467 39.899 38.460 -0.046 0.000 1.272 474 Y HN 0.300 nan 8.280 nan 0.000 0.477 475 V N 1.838 121.662 119.914 -0.150 0.000 2.495 475 V HA 0.302 4.426 4.120 0.006 0.000 0.298 475 V C -1.159 174.679 176.094 -0.426 0.000 1.031 475 V CA -0.772 61.336 62.300 -0.319 0.000 0.871 475 V CB 1.734 33.249 31.823 -0.514 0.000 0.988 475 V HN 0.681 nan 8.190 nan 0.000 0.432 476 D N 3.773 124.050 120.400 -0.204 0.000 2.441 476 D HA 0.689 5.333 4.640 0.006 0.000 0.231 476 D C -0.366 175.884 176.300 -0.082 0.000 1.073 476 D CA -0.007 53.911 54.000 -0.137 0.000 0.850 476 D CB 1.491 42.263 40.800 -0.047 0.000 1.062 476 D HN 0.789 nan 8.370 nan 0.000 0.524 477 A N 2.866 125.638 122.820 -0.080 0.000 2.454 477 A HA 0.674 4.997 4.320 0.006 0.000 0.302 477 A C -1.106 176.510 177.584 0.053 0.000 1.079 477 A CA -0.707 51.356 52.037 0.043 0.000 0.731 477 A CB 1.730 20.813 19.000 0.138 0.000 1.299 477 A HN 0.322 nan 8.150 nan 0.000 0.413 478 V N 1.633 121.570 119.914 0.039 0.000 2.439 478 V HA 0.570 4.693 4.120 0.006 0.000 0.282 478 V C 0.013 176.121 176.094 0.024 0.000 1.039 478 V CA -0.143 62.134 62.300 -0.038 0.000 0.913 478 V CB 1.276 32.967 31.823 -0.219 0.000 0.983 478 V HN 1.117 nan 8.190 nan 0.000 0.460 479 V N 2.155 122.106 119.914 0.063 0.000 2.914 479 V HA 0.748 4.872 4.120 0.006 0.000 0.314 479 V C -0.666 175.542 176.094 0.190 0.000 1.084 479 V CA -0.790 61.587 62.300 0.128 0.000 0.963 479 V CB 1.990 33.901 31.823 0.147 0.000 1.025 479 V HN 0.896 nan 8.190 nan 0.000 0.432 480 E N 2.300 122.609 120.200 0.182 0.000 2.187 480 E HA 0.455 4.809 4.350 0.006 0.000 0.268 480 E C -0.569 176.143 176.600 0.186 0.000 0.896 480 E CA -0.920 55.583 56.400 0.171 0.000 0.766 480 E CB 1.868 31.616 29.700 0.080 0.000 1.142 480 E HN 0.816 nan 8.360 nan 0.000 0.408 481 R N 4.126 124.742 120.500 0.194 0.000 2.298 481 R HA 0.272 4.615 4.340 0.006 0.000 0.310 481 R C -0.653 175.607 176.300 -0.066 0.000 1.068 481 R CA -0.021 56.051 56.100 -0.046 0.000 0.957 481 R CB 0.550 30.839 30.300 -0.019 0.000 1.003 481 R HN 0.514 nan 8.270 nan 0.000 0.454 482 R N 3.635 124.065 120.500 -0.117 0.000 2.512 482 R HA 0.072 4.416 4.340 0.006 0.000 0.291 482 R C -0.807 175.458 176.300 -0.059 0.000 1.097 482 R CA -0.882 55.186 56.100 -0.053 0.000 0.940 482 R CB 1.371 31.670 30.300 -0.002 0.000 1.198 482 R HN 0.849 nan 8.270 nan 0.000 0.429 483 N N 1.694 120.346 118.700 -0.081 0.000 2.714 483 N HA -0.234 4.509 4.740 0.006 0.000 0.252 483 N C 0.589 175.919 175.510 -0.300 0.000 1.014 483 N CA 1.741 54.729 53.050 -0.103 0.000 0.735 483 N CB -0.897 37.599 38.487 0.014 0.000 0.924 483 N HN 1.083 nan 8.380 nan 0.000 0.540 484 G N -2.189 106.361 108.800 -0.416 0.000 2.184 484 G HA2 -0.303 3.660 3.960 0.006 0.000 0.264 484 G HA3 -0.303 3.660 3.960 0.006 0.000 0.264 484 G C 0.117 174.448 174.900 -0.949 0.000 0.975 484 G CA 0.515 45.208 45.100 -0.677 0.000 0.642 484 G HN 0.481 nan 8.290 nan 0.000 0.536 485 F N -0.835 118.878 119.950 -0.394 0.000 2.538 485 F HA 0.708 5.239 4.527 0.006 0.000 0.325 485 F C 0.171 175.676 175.800 -0.493 0.000 1.066 485 F CA -1.393 56.370 58.000 -0.394 0.000 0.946 485 F CB 1.399 40.242 39.000 -0.262 0.000 1.199 485 F HN -0.021 nan 8.300 nan 0.000 0.473 486 Y N 2.592 122.912 120.300 0.033 0.000 2.335 486 Y HA 0.524 5.078 4.550 0.006 0.000 0.339 486 Y C -0.784 175.083 175.900 -0.055 0.000 0.987 486 Y CA -0.862 57.208 58.100 -0.050 0.000 1.140 486 Y CB 1.071 39.457 38.460 -0.122 0.000 1.173 486 Y HN 0.231 nan 8.280 nan 0.000 0.486 487 L N 4.870 126.146 121.223 0.089 0.000 2.313 487 L HA 0.442 4.786 4.340 0.006 0.000 0.283 487 L C -0.197 176.683 176.870 0.017 0.000 1.013 487 L CA -0.502 54.330 54.840 -0.013 0.000 0.816 487 L CB 1.218 43.253 42.059 -0.039 0.000 1.236 487 L HN 0.543 nan 8.230 nan 0.000 0.419 488 I N 4.113 124.658 120.570 -0.042 0.000 2.648 488 I HA 0.163 4.337 4.170 0.006 0.000 0.284 488 I C 0.291 176.405 176.117 -0.004 0.000 1.153 488 I CA 0.172 61.457 61.300 -0.024 0.000 1.426 488 I CB 0.235 38.144 38.000 -0.152 0.000 1.381 488 I HN 0.682 nan 8.210 nan 0.000 0.571 489 K N 3.498 123.924 120.400 0.044 0.000 2.555 489 K HA 0.350 4.673 4.320 0.006 0.000 0.279 489 K C -0.908 175.752 176.600 0.101 0.000 0.986 489 K CA -0.879 55.448 56.287 0.067 0.000 0.880 489 K CB 1.420 33.957 32.500 0.061 0.000 1.474 489 K HN 0.425 nan 8.250 nan 0.000 0.433 490 D N 0.341 120.818 120.400 0.129 0.000 2.702 490 D HA -0.146 4.497 4.640 0.006 0.000 0.233 490 D C -0.976 175.415 176.300 0.152 0.000 1.164 490 D CA 1.548 55.645 54.000 0.163 0.000 0.638 490 D CB -1.197 39.777 40.800 0.291 0.000 1.041 490 D HN 0.657 nan 8.370 nan 0.000 0.422 491 T N 0.164 114.807 114.554 0.148 0.000 2.916 491 T HA 0.568 4.921 4.350 0.006 0.000 0.298 491 T C 0.120 174.867 174.700 0.078 0.000 1.031 491 T CA -0.841 61.344 62.100 0.142 0.000 0.993 491 T CB 2.712 71.725 68.868 0.241 0.000 1.045 491 T HN -0.054 nan 8.240 nan 0.000 0.454 492 K N 1.800 122.140 120.400 -0.099 0.000 2.469 492 K HA 0.551 4.874 4.320 0.006 0.000 0.254 492 K C -0.808 175.547 176.600 -0.410 0.000 0.939 492 K CA -0.894 55.221 56.287 -0.286 0.000 0.812 492 K CB 2.444 34.858 32.500 -0.145 0.000 1.301 492 K HN 0.382 nan 8.250 nan 0.000 0.433 493 L N 3.285 124.159 121.223 -0.581 0.000 2.461 493 L HA 0.180 4.523 4.340 0.006 0.000 0.272 493 L C 1.228 177.951 176.870 -0.244 0.000 1.197 493 L CA 0.208 54.805 54.840 -0.404 0.000 0.836 493 L CB 0.309 42.170 42.059 -0.330 0.000 1.105 493 L HN 0.730 nan 8.230 nan 0.000 0.477 494 I N -2.013 118.417 120.570 -0.233 0.000 4.154 494 I HA 0.228 4.402 4.170 0.006 0.000 0.334 494 I C -0.269 175.500 176.117 -0.581 0.000 1.371 494 I CA -0.392 60.676 61.300 -0.387 0.000 1.110 494 I CB 0.198 37.903 38.000 -0.491 0.000 1.085 494 I HN 0.336 nan 8.210 nan 0.000 0.398 495 Y N 0.000 120.230 120.300 -0.116 0.000 2.660 495 Y HA 0.000 4.553 4.550 0.006 0.000 0.201 495 Y CA 0.000 58.055 58.100 -0.075 0.000 1.940 495 Y CB 0.000 38.412 38.460 -0.080 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758