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 3pcs_1_B DATA FIRST_RESID 43 DATA SEQUENCE KSWDEMSCAE KLFKVLSFGL WNPTYSRSER QSFQELLTVL EPVYPLPNEL DATA SEQUENCE GRVSARFSDG SSLRISVTNS ELVEAEIRTA NNEKITVLLE SNEQNRLLQS DATA SEQUENCE LPIDRHMPYI QVHRALSEMD LTDTTSMRNL LGFTSKLSTT LIPHNAQTDP DATA SEQUENCE LSGPTPFSSI FMDTCRGLGN AKLSLNGVDI PANAQKLLRD ALGLKDTHSS DATA SEQUENCE PTRNVIDHGI SRHDAEQIAR ESSGSDKQKA EVVEFLCHPE AATAICSAFY DATA SEQUENCE QSFNVPALTL THERISKASE YNAERSLDTP NACINISISQ SSDGNIYVTS DATA SEQUENCE HTGVLIMAPE DRPNEMGMLT NRTSYEVPQG VKCIIDEMVS ALQPRYAASE DATA SEQUENCE TYLQN 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 43 K HA 0.000 nan 4.320 nan 0.000 0.191 43 K C 0.000 176.600 176.600 -0.000 0.000 0.988 43 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 43 K CB 0.000 32.501 32.500 0.001 0.000 1.064 44 S N 0.271 115.954 115.700 -0.029 0.000 2.726 44 S HA 0.448 4.918 4.470 0.000 0.000 0.308 44 S C 0.891 175.481 174.600 -0.017 0.000 1.115 44 S CA -0.887 57.299 58.200 -0.024 0.000 0.965 44 S CB 0.470 63.601 63.200 -0.115 0.000 1.145 44 S HN 0.910 nan 8.310 nan 0.000 0.532 45 W N 1.619 122.912 121.300 -0.011 0.000 2.388 45 W HA -0.020 4.640 4.660 0.000 0.000 0.294 45 W C -0.026 176.485 176.519 -0.014 0.000 1.212 45 W CA 1.623 58.961 57.345 -0.012 0.000 1.271 45 W CB -1.026 28.428 29.460 -0.010 0.000 1.126 45 W HN 0.756 nan 8.180 nan 0.000 0.535 46 D N 0.427 120.240 120.400 -0.980 0.000 2.427 46 D HA 0.044 4.684 4.640 0.000 0.000 0.224 46 D C -0.081 175.930 176.300 -0.481 0.000 1.157 46 D CA -0.265 53.157 54.000 -0.963 0.000 0.828 46 D CB -0.767 38.972 40.800 -1.769 0.000 0.974 46 D HN 0.281 nan 8.370 nan 0.000 0.498 47 E N 0.685 120.702 120.200 -0.305 0.000 2.376 47 E HA 0.156 4.506 4.350 0.000 0.000 0.266 47 E C -0.433 176.078 176.600 -0.147 0.000 1.009 47 E CA -0.069 56.214 56.400 -0.195 0.000 0.902 47 E CB 0.656 30.278 29.700 -0.130 0.000 0.972 47 E HN 0.120 nan 8.360 nan 0.000 0.439 48 M N 3.245 122.762 119.600 -0.138 0.000 2.294 48 M HA 0.202 4.682 4.480 0.000 0.000 0.335 48 M C -0.069 176.161 176.300 -0.117 0.000 1.079 48 M CA -0.786 54.442 55.300 -0.121 0.000 0.982 48 M CB 1.947 34.470 32.600 -0.128 0.000 1.651 48 M HN 0.561 nan 8.290 nan 0.000 0.437 49 S N 0.760 116.390 115.700 -0.116 0.000 2.614 49 S HA 0.147 4.618 4.470 0.000 0.000 0.265 49 S C 1.005 175.466 174.600 -0.232 0.000 1.303 49 S CA -0.909 57.210 58.200 -0.136 0.000 1.000 49 S CB 0.940 64.077 63.200 -0.104 0.000 0.935 49 S HN 0.884 nan 8.310 nan 0.000 0.551 50 C N 1.049 120.151 119.300 -0.329 0.000 2.432 50 C HA -0.028 4.432 4.460 0.000 0.000 0.277 50 C C 3.239 177.627 174.990 -1.004 0.000 1.249 50 C CA 1.173 59.805 59.018 -0.643 0.000 1.725 50 C CB -2.113 25.200 27.740 -0.711 0.000 2.028 50 C HN 1.025 nan 8.230 nan 0.000 0.477 51 A N 0.358 122.615 122.820 -0.939 0.000 1.896 51 A HA -0.345 3.975 4.320 0.000 0.000 0.220 51 A C 2.087 179.557 177.584 -0.191 0.000 1.206 51 A CA 2.507 54.301 52.037 -0.406 0.000 0.647 51 A CB -0.854 18.149 19.000 0.005 0.000 0.828 51 A HN 0.754 nan 8.150 nan 0.000 0.455 52 E N -0.667 119.438 120.200 -0.159 0.000 2.047 52 E HA -0.208 4.142 4.350 0.000 0.000 0.191 52 E C 2.152 178.717 176.600 -0.060 0.000 0.987 52 E CA 1.311 57.673 56.400 -0.063 0.000 0.799 52 E CB -0.158 29.500 29.700 -0.070 0.000 0.752 52 E HN 0.615 nan 8.360 nan 0.000 0.449 53 K N 0.350 120.655 120.400 -0.158 0.000 2.103 53 K HA -0.207 4.114 4.320 0.000 0.000 0.207 53 K C 2.272 178.746 176.600 -0.209 0.000 1.048 53 K CA 1.255 57.436 56.287 -0.176 0.000 0.930 53 K CB -0.152 32.235 32.500 -0.188 0.000 0.716 53 K HN 0.148 nan 8.250 nan 0.000 0.444 54 L N 0.631 121.733 121.223 -0.202 0.000 2.005 54 L HA -0.112 4.229 4.340 0.000 0.000 0.207 54 L C 2.093 178.915 176.870 -0.079 0.000 1.072 54 L CA 1.620 56.372 54.840 -0.147 0.000 0.744 54 L CB -0.847 41.199 42.059 -0.023 0.000 0.895 54 L HN 0.218 nan 8.230 nan 0.000 0.433 55 F N 0.479 120.371 119.950 -0.096 0.000 2.154 55 F HA -0.311 4.217 4.527 0.000 0.000 0.301 55 F C 2.371 178.134 175.800 -0.062 0.000 1.087 55 F CA 2.189 60.156 58.000 -0.054 0.000 1.274 55 F CB -0.216 38.764 39.000 -0.033 0.000 1.009 55 F HN 0.082 nan 8.300 nan 0.000 0.485 56 K N -0.083 120.294 120.400 -0.037 0.000 1.991 56 K HA -0.168 4.152 4.320 0.000 0.000 0.212 56 K C 2.013 178.493 176.600 -0.200 0.000 1.049 56 K CA 1.993 58.210 56.287 -0.117 0.000 0.932 56 K CB -0.742 31.712 32.500 -0.076 0.000 0.717 56 K HN 0.142 nan 8.250 nan 0.000 0.441 57 V N 1.759 121.500 119.914 -0.288 0.000 2.233 57 V HA -0.347 3.773 4.120 0.000 0.000 0.252 57 V C 2.266 178.256 176.094 -0.175 0.000 1.063 57 V CA 2.020 64.115 62.300 -0.342 0.000 1.032 57 V CB -0.504 30.878 31.823 -0.735 0.000 0.645 57 V HN 0.348 nan 8.190 nan 0.000 0.446 58 L N 0.583 121.659 121.223 -0.245 0.000 2.042 58 L HA -0.199 4.141 4.340 0.000 0.000 0.210 58 L C 2.644 179.375 176.870 -0.231 0.000 1.076 58 L CA 2.210 56.917 54.840 -0.221 0.000 0.749 58 L CB -0.667 41.261 42.059 -0.218 0.000 0.893 58 L HN 0.637 nan 8.230 nan 0.000 0.432 59 S N -1.224 114.238 115.700 -0.396 0.000 2.461 59 S HA -0.144 4.326 4.470 0.000 0.000 0.228 59 S C 1.832 176.400 174.600 -0.054 0.000 1.005 59 S CA 0.283 58.288 58.200 -0.326 0.000 0.942 59 S CB -0.515 62.335 63.200 -0.584 0.000 0.776 59 S HN 0.339 nan 8.310 nan 0.000 0.514 60 F N 3.173 123.031 119.950 -0.153 0.000 2.206 60 F HA 0.373 4.900 4.527 0.000 0.000 0.298 60 F C 1.140 176.928 175.800 -0.019 0.000 1.090 60 F CA 0.753 58.722 58.000 -0.052 0.000 1.323 60 F CB -0.347 38.654 39.000 0.002 0.000 1.028 60 F HN 0.448 nan 8.300 nan 0.000 0.492 61 G N 0.673 109.443 108.800 -0.050 0.000 2.897 61 G HA2 -0.018 3.942 3.960 0.000 0.000 0.392 61 G HA3 -0.018 3.942 3.960 0.000 0.000 0.392 61 G C -0.058 174.837 174.900 -0.009 0.000 1.263 61 G CA -0.223 44.827 45.100 -0.084 0.000 1.185 61 G HN 0.333 nan 8.290 nan 0.000 0.573 62 L N 1.844 123.033 121.223 -0.056 0.000 2.129 62 L HA 0.085 4.426 4.340 0.000 0.000 0.212 62 L C 1.862 178.604 176.870 -0.213 0.000 1.087 62 L CA 1.914 56.630 54.840 -0.206 0.000 0.757 62 L CB -0.404 41.233 42.059 -0.705 0.000 0.896 62 L HN 0.754 nan 8.230 nan 0.000 0.434 63 W N -0.075 121.263 121.300 0.064 0.000 3.388 63 W HA 0.177 4.837 4.660 0.000 0.000 0.324 63 W C 0.824 177.256 176.519 -0.144 0.000 1.250 63 W CA -0.684 56.670 57.345 0.016 0.000 1.809 63 W CB -0.846 28.637 29.460 0.039 0.000 1.083 63 W HN 0.182 nan 8.180 nan 0.000 0.685 64 N N 2.084 120.642 118.700 -0.238 0.000 2.357 64 N HA -0.074 4.666 4.740 0.000 0.000 0.257 64 N C -1.614 173.646 175.510 -0.417 0.000 1.250 64 N CA -0.054 52.694 53.050 -0.504 0.000 0.862 64 N CB 1.643 39.541 38.487 -0.981 0.000 1.066 64 N HN -0.133 nan 8.380 nan 0.000 0.468 65 P HA 0.010 nan 4.420 nan 0.000 0.222 65 P C 1.035 178.310 177.300 -0.043 0.000 1.153 65 P CA 0.869 63.923 63.100 -0.075 0.000 0.798 65 P CB 0.218 31.897 31.700 -0.035 0.000 0.796 66 T N -1.258 113.252 114.554 -0.075 0.000 2.802 66 T HA -0.162 4.188 4.350 0.000 0.000 0.269 66 T C 0.565 175.394 174.700 0.215 0.000 1.062 66 T CA 1.086 63.230 62.100 0.075 0.000 1.133 66 T CB -0.756 68.212 68.868 0.166 0.000 0.852 66 T HN -0.010 nan 8.240 nan 0.000 0.485 67 Y N 1.618 121.991 120.300 0.122 0.000 2.457 67 Y HA 0.168 4.718 4.550 0.000 0.000 0.341 67 Y C 1.745 177.648 175.900 0.005 0.000 1.240 67 Y CA -1.470 56.682 58.100 0.087 0.000 1.437 67 Y CB 0.274 38.802 38.460 0.112 0.000 1.328 67 Y HN 0.051 nan 8.280 nan 0.000 0.588 68 S N 2.115 117.876 115.700 0.102 0.000 2.605 68 S HA 0.088 4.558 4.470 0.000 0.000 0.217 68 S C 1.583 176.160 174.600 -0.039 0.000 0.958 68 S CA 0.291 58.498 58.200 0.011 0.000 0.919 68 S CB -0.066 63.114 63.200 -0.033 0.000 0.780 68 S HN 0.817 nan 8.310 nan 0.000 0.507 69 R N 0.430 120.900 120.500 -0.050 0.000 1.680 69 R HA -0.290 4.050 4.340 0.000 0.000 0.092 69 R C 1.448 177.662 176.300 -0.144 0.000 0.930 69 R CA 2.281 58.335 56.100 -0.077 0.000 1.943 69 R CB -2.320 27.956 30.300 -0.039 0.000 0.490 69 R HN 0.570 nan 8.270 nan 0.000 0.707 70 S N 0.325 115.943 115.700 -0.137 0.000 2.383 70 S HA -0.139 4.332 4.470 0.000 0.000 0.229 70 S C 1.684 176.110 174.600 -0.291 0.000 1.030 70 S CA 2.050 60.151 58.200 -0.165 0.000 1.002 70 S CB -0.167 62.959 63.200 -0.124 0.000 0.829 70 S HN 0.585 nan 8.310 nan 0.000 0.467 71 E N 0.371 120.335 120.200 -0.394 0.000 2.028 71 E HA -0.065 4.285 4.350 0.000 0.000 0.191 71 E C 2.565 178.491 176.600 -1.123 0.000 0.988 71 E CA 0.976 56.874 56.400 -0.836 0.000 0.799 71 E CB -0.100 29.118 29.700 -0.803 0.000 0.755 71 E HN 0.467 nan 8.360 nan 0.000 0.447 72 R N 0.657 120.775 120.500 -0.637 0.000 2.117 72 R HA -0.229 4.111 4.340 0.000 0.000 0.243 72 R C 2.388 178.513 176.300 -0.291 0.000 1.143 72 R CA 1.486 57.360 56.100 -0.376 0.000 0.968 72 R CB -0.343 29.879 30.300 -0.129 0.000 0.863 72 R HN 0.288 nan 8.270 nan 0.000 0.444 73 Q N 0.379 120.020 119.800 -0.265 0.000 1.927 73 Q HA -0.205 4.136 4.340 0.000 0.000 0.210 73 Q C 2.354 178.260 176.000 -0.157 0.000 1.001 73 Q CA 2.566 58.263 55.803 -0.176 0.000 0.862 73 Q CB -0.243 28.409 28.738 -0.144 0.000 0.934 73 Q HN 0.424 nan 8.270 nan 0.000 0.420 74 S N 0.162 115.738 115.700 -0.206 0.000 2.407 74 S HA -0.202 4.268 4.470 0.000 0.000 0.235 74 S C 1.747 176.387 174.600 0.067 0.000 1.036 74 S CA 1.396 59.538 58.200 -0.097 0.000 1.013 74 S CB -0.610 62.516 63.200 -0.122 0.000 0.820 74 S HN 0.245 nan 8.310 nan 0.000 0.476 75 F N 2.246 122.125 119.950 -0.118 0.000 2.146 75 F HA 0.059 4.586 4.527 0.000 0.000 0.298 75 F C 2.867 178.633 175.800 -0.058 0.000 1.096 75 F CA 0.476 58.405 58.000 -0.118 0.000 1.275 75 F CB -1.443 37.440 39.000 -0.196 0.000 1.008 75 F HN 0.302 nan 8.300 nan 0.000 0.480 76 Q N 0.228 120.098 119.800 0.116 0.000 2.124 76 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 76 Q C 2.032 178.085 176.000 0.089 0.000 0.977 76 Q CA 1.680 57.531 55.803 0.079 0.000 0.850 76 Q CB -0.346 28.383 28.738 -0.015 0.000 0.901 76 Q HN 0.545 nan 8.270 nan 0.000 0.429 77 E N 0.749 120.991 120.200 0.069 0.000 2.038 77 E HA -0.207 4.143 4.350 0.000 0.000 0.195 77 E C 2.147 178.823 176.600 0.126 0.000 1.000 77 E CA 1.005 57.450 56.400 0.076 0.000 0.803 77 E CB -0.227 29.505 29.700 0.053 0.000 0.750 77 E HN 0.290 nan 8.360 nan 0.000 0.448 78 L N 0.513 121.833 121.223 0.161 0.000 1.956 78 L HA -0.245 4.095 4.340 0.000 0.000 0.216 78 L C 2.650 179.665 176.870 0.241 0.000 1.073 78 L CA 0.865 55.855 54.840 0.250 0.000 0.762 78 L CB -0.510 41.647 42.059 0.163 0.000 0.889 78 L HN 0.177 nan 8.230 nan 0.000 0.433 79 L N 0.093 121.410 121.223 0.156 0.000 2.151 79 L HA -0.256 4.085 4.340 0.000 0.000 0.215 79 L C 2.508 179.419 176.870 0.068 0.000 1.084 79 L CA 2.456 57.361 54.840 0.108 0.000 0.764 79 L CB -0.763 41.357 42.059 0.102 0.000 0.891 79 L HN 0.523 nan 8.230 nan 0.000 0.435 80 T N -5.484 109.110 114.554 0.066 0.000 3.148 80 T HA 0.038 4.389 4.350 0.000 0.000 0.253 80 T C 1.465 176.146 174.700 -0.032 0.000 1.134 80 T CA 0.675 62.786 62.100 0.019 0.000 1.051 80 T CB -0.446 68.441 68.868 0.031 0.000 0.959 80 T HN 0.131 nan 8.240 nan 0.000 0.525 81 V N 0.397 120.271 119.914 -0.067 0.000 3.541 81 V HA 0.271 4.391 4.120 0.000 0.000 0.267 81 V C 0.917 176.868 176.094 -0.239 0.000 1.213 81 V CA 0.042 62.209 62.300 -0.222 0.000 1.149 81 V CB -0.617 30.904 31.823 -0.505 0.000 0.822 81 V HN 0.390 nan 8.190 nan 0.000 0.462 82 L N 1.831 122.976 121.223 -0.130 0.000 2.418 82 L HA 0.295 4.635 4.340 0.000 0.000 0.274 82 L C 0.167 176.992 176.870 -0.074 0.000 1.135 82 L CA 0.823 55.609 54.840 -0.090 0.000 0.870 82 L CB 0.147 42.188 42.059 -0.029 0.000 1.154 82 L HN 0.209 nan 8.230 nan 0.000 0.462 83 E N 6.217 126.374 120.200 -0.070 0.000 2.272 83 E HA 0.449 4.799 4.350 0.000 0.000 0.269 83 E C -2.538 174.049 176.600 -0.023 0.000 0.877 83 E CA -1.922 54.453 56.400 -0.043 0.000 0.755 83 E CB 1.790 31.457 29.700 -0.055 0.000 1.192 83 E HN 0.291 nan 8.360 nan 0.000 0.422 84 P HA 0.165 nan 4.420 nan 0.000 0.272 84 P C -0.233 177.077 177.300 0.017 0.000 1.230 84 P CA -0.266 62.844 63.100 0.016 0.000 0.788 84 P CB 0.930 32.671 31.700 0.069 0.000 0.949 85 V N -1.349 118.529 119.914 -0.059 0.000 3.226 85 V HA 0.389 4.509 4.120 0.000 0.000 0.304 85 V C -0.982 174.878 176.094 -0.391 0.000 1.336 85 V CA -1.371 60.873 62.300 -0.092 0.000 1.066 85 V CB 1.258 33.047 31.823 -0.057 0.000 1.087 85 V HN 0.439 nan 8.190 nan 0.000 0.451 86 Y N 4.529 124.574 120.300 -0.425 0.000 2.745 86 Y HA 0.452 5.002 4.550 0.000 0.000 0.335 86 Y C -2.081 173.566 175.900 -0.422 0.000 1.212 86 Y CA -1.085 56.661 58.100 -0.589 0.000 1.535 86 Y CB 0.636 38.983 38.460 -0.188 0.000 1.220 86 Y HN 0.613 nan 8.280 nan 0.000 0.531 87 P HA 0.172 nan 4.420 nan 0.000 0.282 87 P C -0.770 176.197 177.300 -0.556 0.000 1.249 87 P CA -0.216 62.557 63.100 -0.545 0.000 0.806 87 P CB 1.548 32.962 31.700 -0.478 0.000 0.984 88 L N 4.049 125.123 121.223 -0.249 0.000 2.456 88 L HA 0.214 4.554 4.340 0.000 0.000 0.257 88 L C -0.918 175.873 176.870 -0.130 0.000 1.162 88 L CA -1.942 52.823 54.840 -0.125 0.000 0.808 88 L CB -0.242 41.798 42.059 -0.031 0.000 1.136 88 L HN 0.219 nan 8.230 nan 0.000 0.466 89 P HA -0.243 nan 4.420 nan 0.000 0.222 89 P C 0.658 177.929 177.300 -0.048 0.000 1.159 89 P CA 1.727 64.801 63.100 -0.043 0.000 0.920 89 P CB -0.123 31.574 31.700 -0.004 0.000 0.793 90 N N -1.101 117.575 118.700 -0.039 0.000 2.314 90 N HA -0.031 4.710 4.740 0.000 0.000 0.200 90 N C -0.156 175.329 175.510 -0.042 0.000 1.135 90 N CA 0.298 53.329 53.050 -0.032 0.000 0.835 90 N CB -0.275 38.201 38.487 -0.019 0.000 0.989 90 N HN 0.271 nan 8.380 nan 0.000 0.478 91 E N 0.636 120.794 120.200 -0.069 0.000 2.197 91 E HA 0.181 4.531 4.350 0.000 0.000 0.281 91 E C 0.657 177.206 176.600 -0.085 0.000 0.995 91 E CA -0.494 55.860 56.400 -0.077 0.000 0.808 91 E CB 2.474 32.112 29.700 -0.103 0.000 1.093 91 E HN 0.038 nan 8.360 nan 0.000 0.394 92 L N 1.840 123.029 121.223 -0.056 0.000 2.141 92 L HA 0.024 4.364 4.340 0.000 0.000 0.209 92 L C 0.725 177.546 176.870 -0.082 0.000 1.094 92 L CA 1.044 55.853 54.840 -0.051 0.000 0.763 92 L CB 0.184 42.230 42.059 -0.023 0.000 0.908 92 L HN 0.654 nan 8.230 nan 0.000 0.437 93 G N -0.926 107.820 108.800 -0.091 0.000 2.667 93 G HA2 0.488 4.449 3.960 0.000 0.000 0.294 93 G HA3 0.488 4.449 3.960 0.000 0.000 0.294 93 G C -1.758 173.078 174.900 -0.106 0.000 1.467 93 G CA -0.618 44.419 45.100 -0.105 0.000 0.852 93 G HN 0.022 nan 8.290 nan 0.000 0.521 94 R N 0.320 120.743 120.500 -0.128 0.000 2.584 94 R HA 0.714 5.054 4.340 0.000 0.000 0.276 94 R C -1.737 174.515 176.300 -0.080 0.000 1.046 94 R CA -0.524 55.515 56.100 -0.102 0.000 0.906 94 R CB 2.302 32.523 30.300 -0.132 0.000 1.215 94 R HN 0.517 nan 8.270 nan 0.000 0.449 95 V N 1.616 121.504 119.914 -0.043 0.000 3.040 95 V HA 0.733 4.853 4.120 0.000 0.000 0.312 95 V C -0.855 175.226 176.094 -0.022 0.000 1.115 95 V CA -0.747 61.537 62.300 -0.028 0.000 0.998 95 V CB 2.130 33.949 31.823 -0.006 0.000 1.042 95 V HN 0.812 nan 8.190 nan 0.000 0.433 96 S N 1.067 116.748 115.700 -0.032 0.000 2.535 96 S HA 0.860 5.331 4.470 0.000 0.000 0.272 96 S C -1.280 173.268 174.600 -0.086 0.000 1.149 96 S CA 0.198 58.373 58.200 -0.042 0.000 0.888 96 S CB 1.699 64.871 63.200 -0.046 0.000 1.110 96 S HN 1.657 nan 8.310 nan 0.000 0.463 97 A N 4.051 126.802 122.820 -0.114 0.000 2.427 97 A HA 0.822 5.142 4.320 0.000 0.000 0.298 97 A C -1.002 176.369 177.584 -0.355 0.000 1.036 97 A CA -0.757 51.093 52.037 -0.312 0.000 0.701 97 A CB 1.340 20.111 19.000 -0.381 0.000 1.250 97 A HN 0.756 nan 8.150 nan 0.000 0.412 98 R N 1.933 122.167 120.500 -0.443 0.000 2.422 98 R HA 0.484 4.824 4.340 0.000 0.000 0.307 98 R C -1.521 174.599 176.300 -0.301 0.000 1.004 98 R CA -0.163 55.786 56.100 -0.251 0.000 0.882 98 R CB 1.185 31.414 30.300 -0.118 0.000 1.164 98 R HN 0.625 nan 8.270 nan 0.000 0.489 99 F N 0.118 120.066 119.950 -0.003 0.000 2.380 99 F HA 0.111 4.638 4.527 0.000 0.000 0.321 99 F C 1.949 177.747 175.800 -0.003 0.000 1.103 99 F CA -0.346 57.653 58.000 -0.002 0.000 1.067 99 F CB 1.292 40.290 39.000 -0.002 0.000 1.265 99 F HN 0.461 nan 8.300 nan 0.000 0.517 100 S N -0.985 114.831 115.700 0.195 0.000 2.515 100 S HA -0.156 4.314 4.470 0.000 0.000 0.231 100 S C 1.097 175.749 174.600 0.086 0.000 0.987 100 S CA 0.949 59.209 58.200 0.100 0.000 0.936 100 S CB -0.650 62.597 63.200 0.077 0.000 0.766 100 S HN 0.756 nan 8.310 nan 0.000 0.528 101 D N 0.360 120.826 120.400 0.109 0.000 2.348 101 D HA 0.227 4.867 4.640 0.000 0.000 0.211 101 D C 1.476 177.809 176.300 0.055 0.000 0.998 101 D CA 0.767 54.802 54.000 0.059 0.000 0.873 101 D CB -0.590 40.226 40.800 0.026 0.000 0.925 101 D HN 0.573 nan 8.370 nan 0.000 0.524 102 G N 0.111 108.961 108.800 0.083 0.000 2.201 102 G HA2 -0.233 3.727 3.960 0.000 0.000 0.212 102 G HA3 -0.233 3.727 3.960 0.000 0.000 0.212 102 G C 0.300 175.247 174.900 0.077 0.000 0.994 102 G CA 0.212 45.350 45.100 0.063 0.000 0.644 102 G HN 0.792 nan 8.290 nan 0.000 0.508 103 S N 0.454 116.221 115.700 0.111 0.000 2.565 103 S HA 0.728 5.199 4.470 0.000 0.000 0.276 103 S C 0.330 175.075 174.600 0.242 0.000 1.326 103 S CA 0.694 58.968 58.200 0.123 0.000 1.045 103 S CB 1.859 65.090 63.200 0.052 0.000 0.918 103 S HN 1.795 nan 8.310 nan 0.000 0.505 104 S N 2.412 118.212 115.700 0.167 0.000 2.648 104 S HA 0.815 5.285 4.470 0.000 0.000 0.305 104 S C -0.969 173.736 174.600 0.174 0.000 1.094 104 S CA -0.956 57.347 58.200 0.173 0.000 0.983 104 S CB 1.297 64.535 63.200 0.063 0.000 1.101 104 S HN 1.103 nan 8.310 nan 0.000 0.514 105 L N 0.817 122.146 121.223 0.176 0.000 2.436 105 L HA 0.738 5.078 4.340 0.000 0.000 0.268 105 L C -1.236 175.676 176.870 0.069 0.000 0.974 105 L CA -0.439 54.484 54.840 0.138 0.000 0.826 105 L CB 1.870 44.081 42.059 0.254 0.000 1.291 105 L HN 0.909 nan 8.230 nan 0.000 0.406 106 R N 5.526 126.046 120.500 0.033 0.000 2.575 106 R HA 0.806 5.146 4.340 0.000 0.000 0.293 106 R C -1.323 174.988 176.300 0.017 0.000 0.983 106 R CA -0.529 55.580 56.100 0.014 0.000 0.887 106 R CB 2.230 32.528 30.300 -0.004 0.000 1.184 106 R HN 0.631 nan 8.270 nan 0.000 0.445 107 I N 1.057 121.640 120.570 0.022 0.000 2.533 107 I HA 0.348 4.518 4.170 0.000 0.000 0.290 107 I C -0.548 175.575 176.117 0.009 0.000 1.056 107 I CA -0.687 60.635 61.300 0.035 0.000 1.057 107 I CB 2.504 40.551 38.000 0.079 0.000 1.240 107 I HN 0.491 nan 8.210 nan 0.000 0.423 108 S N 4.357 120.061 115.700 0.007 0.000 2.472 108 S HA 0.645 5.115 4.470 0.000 0.000 0.303 108 S C -0.461 174.139 174.600 0.000 0.000 1.099 108 S CA -0.597 57.596 58.200 -0.011 0.000 1.077 108 S CB 2.187 65.376 63.200 -0.017 0.000 1.031 108 S HN 0.282 nan 8.310 nan 0.000 0.487 109 V N 3.157 123.063 119.914 -0.013 0.000 2.555 109 V HA 0.667 4.787 4.120 0.000 0.000 0.302 109 V C 0.486 176.570 176.094 -0.016 0.000 1.038 109 V CA -0.653 61.644 62.300 -0.005 0.000 0.887 109 V CB 1.856 33.676 31.823 -0.005 0.000 0.991 109 V HN 1.025 nan 8.190 nan 0.000 0.434 110 T N 0.374 114.924 114.554 -0.005 0.000 2.949 110 T HA 0.340 4.690 4.350 0.000 0.000 0.287 110 T C 0.944 175.644 174.700 0.000 0.000 1.034 110 T CA -0.784 61.311 62.100 -0.009 0.000 1.018 110 T CB 1.314 70.178 68.868 -0.006 0.000 1.135 110 T HN 0.435 nan 8.240 nan 0.000 0.532 111 N N 1.386 120.086 118.700 0.000 0.000 2.091 111 N HA -0.157 4.583 4.740 0.000 0.000 0.193 111 N C 1.994 177.512 175.510 0.013 0.000 1.021 111 N CA 1.872 54.929 53.050 0.011 0.000 0.862 111 N CB -0.835 37.655 38.487 0.004 0.000 1.018 111 N HN 0.833 nan 8.380 nan 0.000 0.429 112 S N 0.224 115.928 115.700 0.007 0.000 2.547 112 S HA -0.022 4.448 4.470 0.000 0.000 0.235 112 S C 0.263 174.871 174.600 0.013 0.000 0.980 112 S CA 0.183 58.388 58.200 0.008 0.000 0.941 112 S CB -0.375 62.829 63.200 0.006 0.000 0.763 112 S HN 0.344 nan 8.310 nan 0.000 0.532 113 E N 0.377 120.586 120.200 0.015 0.000 2.271 113 E HA -0.149 4.201 4.350 0.000 0.000 0.223 113 E C -1.074 175.538 176.600 0.021 0.000 1.223 113 E CA 0.285 56.696 56.400 0.018 0.000 0.704 113 E CB -1.794 27.918 29.700 0.020 0.000 1.194 113 E HN 0.610 nan 8.360 nan 0.000 0.375 114 L N 0.268 121.504 121.223 0.020 0.000 2.329 114 L HA 0.553 4.893 4.340 0.000 0.000 0.279 114 L C 0.219 177.108 176.870 0.031 0.000 1.014 114 L CA -1.131 53.725 54.840 0.026 0.000 0.814 114 L CB 1.813 43.885 42.059 0.021 0.000 1.257 114 L HN -0.148 nan 8.230 nan 0.000 0.424 115 V N 1.976 121.918 119.914 0.046 0.000 2.347 115 V HA 0.308 4.428 4.120 0.000 0.000 0.280 115 V C -0.074 176.061 176.094 0.070 0.000 1.021 115 V CA -0.551 61.786 62.300 0.061 0.000 0.847 115 V CB 1.403 33.276 31.823 0.084 0.000 0.990 115 V HN 0.742 nan 8.190 nan 0.000 0.444 116 E N 3.537 123.766 120.200 0.048 0.000 2.179 116 E HA 0.754 5.104 4.350 0.000 0.000 0.275 116 E C -0.679 175.938 176.600 0.027 0.000 0.945 116 E CA -0.540 55.879 56.400 0.031 0.000 0.792 116 E CB 1.881 31.586 29.700 0.007 0.000 1.125 116 E HN 0.811 nan 8.360 nan 0.000 0.397 117 A N 3.952 126.764 122.820 -0.014 0.000 2.413 117 A HA 0.486 4.806 4.320 0.000 0.000 0.307 117 A C -1.027 176.467 177.584 -0.151 0.000 1.087 117 A CA -0.675 51.321 52.037 -0.069 0.000 0.750 117 A CB 1.577 20.513 19.000 -0.106 0.000 1.296 117 A HN 0.717 nan 8.150 nan 0.000 0.423 118 E N 2.360 122.489 120.200 -0.117 0.000 2.325 118 E HA 0.496 4.846 4.350 0.000 0.000 0.248 118 E C -1.337 175.206 176.600 -0.095 0.000 0.912 118 E CA -0.373 55.961 56.400 -0.109 0.000 0.782 118 E CB 0.679 30.344 29.700 -0.059 0.000 1.264 118 E HN 0.617 nan 8.360 nan 0.000 0.417 119 I N 3.638 124.125 120.570 -0.137 0.000 2.519 119 I HA 0.363 4.534 4.170 0.000 0.000 0.287 119 I C 0.592 176.681 176.117 -0.047 0.000 1.047 119 I CA -0.390 60.858 61.300 -0.085 0.000 1.381 119 I CB 0.931 38.856 38.000 -0.125 0.000 1.417 119 I HN 0.410 nan 8.210 nan 0.000 0.540 120 R N 2.757 123.251 120.500 -0.011 0.000 2.750 120 R HA 0.565 4.906 4.340 0.000 0.000 0.281 120 R C -0.606 175.696 176.300 0.004 0.000 0.972 120 R CA -0.714 55.383 56.100 -0.005 0.000 0.912 120 R CB 2.515 32.819 30.300 0.006 0.000 1.187 120 R HN 0.762 nan 8.270 nan 0.000 0.464 121 T N -2.032 112.520 114.554 -0.003 0.000 2.949 121 T HA 0.486 4.837 4.350 0.000 0.000 0.287 121 T C 1.135 175.839 174.700 0.006 0.000 1.034 121 T CA -0.330 61.769 62.100 -0.002 0.000 1.018 121 T CB 1.867 70.725 68.868 -0.015 0.000 1.135 121 T HN 0.557 nan 8.240 nan 0.000 0.532 122 A N 2.193 125.018 122.820 0.008 0.000 1.851 122 A HA -0.155 4.165 4.320 0.000 0.000 0.216 122 A C 2.235 179.822 177.584 0.006 0.000 1.195 122 A CA 1.971 54.015 52.037 0.011 0.000 0.622 122 A CB -1.396 17.610 19.000 0.011 0.000 0.831 122 A HN 0.993 nan 8.150 nan 0.000 0.444 123 N N -0.170 118.530 118.700 0.001 0.000 2.417 123 N HA -0.224 4.516 4.740 0.000 0.000 0.187 123 N C 0.268 175.779 175.510 0.001 0.000 1.027 123 N CA 1.581 54.631 53.050 0.001 0.000 0.891 123 N CB -0.683 37.803 38.487 -0.001 0.000 0.956 123 N HN 0.590 nan 8.380 nan 0.000 0.442 124 N N 0.083 118.784 118.700 0.000 0.000 3.222 124 N HA -0.131 4.609 4.740 0.000 0.000 0.251 124 N C -1.687 173.821 175.510 -0.003 0.000 1.091 124 N CA 0.320 53.370 53.050 0.000 0.000 0.670 124 N CB -1.333 37.155 38.487 0.001 0.000 1.076 124 N HN 0.547 nan 8.380 nan 0.000 0.577 125 E N 0.658 120.854 120.200 -0.006 0.000 2.235 125 E HA 0.467 4.817 4.350 0.000 0.000 0.265 125 E C -0.348 176.243 176.600 -0.016 0.000 0.940 125 E CA -0.937 55.457 56.400 -0.010 0.000 0.819 125 E CB 1.773 31.466 29.700 -0.011 0.000 1.206 125 E HN 0.234 nan 8.360 nan 0.000 0.409 126 K N 2.501 122.889 120.400 -0.020 0.000 2.559 126 K HA 0.381 4.701 4.320 0.000 0.000 0.249 126 K C -1.447 175.129 176.600 -0.040 0.000 0.958 126 K CA -0.288 55.982 56.287 -0.029 0.000 0.901 126 K CB 0.569 33.055 32.500 -0.023 0.000 1.124 126 K HN 0.448 nan 8.250 nan 0.000 0.437 127 I N 3.337 123.870 120.570 -0.061 0.000 2.354 127 I HA 0.252 4.422 4.170 0.000 0.000 0.292 127 I C -0.338 175.710 176.117 -0.115 0.000 0.989 127 I CA -0.619 60.633 61.300 -0.082 0.000 1.188 127 I CB 2.158 40.099 38.000 -0.098 0.000 1.342 127 I HN 0.523 nan 8.210 nan 0.000 0.457 128 T N 5.701 120.194 114.554 -0.101 0.000 2.807 128 T HA 0.546 4.896 4.350 0.000 0.000 0.279 128 T C -0.425 174.200 174.700 -0.124 0.000 0.993 128 T CA -0.502 61.531 62.100 -0.111 0.000 0.970 128 T CB 1.843 70.673 68.868 -0.065 0.000 0.950 128 T HN 0.187 nan 8.240 nan 0.000 0.441 129 V N 4.588 124.400 119.914 -0.170 0.000 2.483 129 V HA 0.458 4.578 4.120 0.000 0.000 0.297 129 V C -0.594 175.489 176.094 -0.018 0.000 1.027 129 V CA -0.900 61.328 62.300 -0.120 0.000 0.855 129 V CB 1.317 32.978 31.823 -0.269 0.000 0.995 129 V HN 0.656 nan 8.190 nan 0.000 0.424 130 L N 5.468 126.706 121.223 0.025 0.000 2.379 130 L HA 0.809 5.150 4.340 0.000 0.000 0.269 130 L C -0.434 176.492 176.870 0.093 0.000 1.084 130 L CA -0.170 54.701 54.840 0.052 0.000 0.802 130 L CB 1.555 43.634 42.059 0.034 0.000 1.175 130 L HN 0.623 nan 8.230 nan 0.000 0.448 131 L N 0.455 121.736 121.223 0.098 0.000 2.789 131 L HA 0.416 4.756 4.340 0.000 0.000 0.258 131 L C -1.427 175.491 176.870 0.080 0.000 0.966 131 L CA -0.315 54.591 54.840 0.111 0.000 0.916 131 L CB 1.945 44.117 42.059 0.188 0.000 1.475 131 L HN 0.638 nan 8.230 nan 0.000 0.418 132 E N 1.253 121.492 120.200 0.064 0.000 2.204 132 E HA 0.515 4.866 4.350 0.000 0.000 0.276 132 E C -1.069 175.557 176.600 0.043 0.000 0.974 132 E CA -0.683 55.746 56.400 0.048 0.000 0.815 132 E CB 1.842 31.566 29.700 0.039 0.000 1.119 132 E HN 0.554 nan 8.360 nan 0.000 0.393 133 S N 2.866 118.590 115.700 0.039 0.000 2.499 133 S HA 0.251 4.721 4.470 0.000 0.000 0.279 133 S C -0.336 174.283 174.600 0.031 0.000 1.219 133 S CA -0.705 57.517 58.200 0.036 0.000 1.062 133 S CB 0.224 63.450 63.200 0.043 0.000 0.978 133 S HN 0.425 nan 8.310 nan 0.000 0.489 134 N N 3.458 122.174 118.700 0.026 0.000 2.813 134 N HA 0.276 5.016 4.740 0.000 0.000 0.320 134 N C 0.319 175.841 175.510 0.020 0.000 1.315 134 N CA -0.707 52.355 53.050 0.019 0.000 0.871 134 N CB 0.421 38.913 38.487 0.010 0.000 1.241 134 N HN 0.685 nan 8.380 nan 0.000 0.602 135 E N 0.067 120.273 120.200 0.010 0.000 2.427 135 E HA -0.044 4.306 4.350 0.000 0.000 0.196 135 E C 1.191 177.785 176.600 -0.009 0.000 1.028 135 E CA 0.615 57.016 56.400 0.002 0.000 0.864 135 E CB 0.315 30.012 29.700 -0.006 0.000 0.813 135 E HN 0.381 nan 8.360 nan 0.000 0.514 136 Q N 0.956 120.746 119.800 -0.017 0.000 1.990 136 Q HA -0.030 4.310 4.340 0.000 0.000 0.195 136 Q C 0.710 176.668 176.000 -0.070 0.000 0.977 136 Q CA 0.630 56.403 55.803 -0.051 0.000 0.828 136 Q CB -0.138 28.570 28.738 -0.050 0.000 0.896 136 Q HN 0.251 nan 8.270 nan 0.000 0.447 137 N N 0.455 119.124 118.700 -0.052 0.000 2.514 137 N HA 0.068 4.808 4.740 0.000 0.000 0.277 137 N C -0.455 175.082 175.510 0.045 0.000 1.126 137 N CA 0.049 53.081 53.050 -0.030 0.000 0.978 137 N CB 0.584 39.048 38.487 -0.039 0.000 1.106 137 N HN -0.055 nan 8.380 nan 0.000 0.461 138 R N 1.505 122.088 120.500 0.138 0.000 3.351 138 R HA 0.139 4.479 4.340 0.000 0.000 0.296 138 R C 0.892 177.304 176.300 0.187 0.000 1.427 138 R CA -0.487 55.720 56.100 0.179 0.000 1.257 138 R CB -0.312 30.134 30.300 0.244 0.000 1.378 138 R HN 0.513 nan 8.270 nan 0.000 0.610 139 L N 0.851 122.133 121.223 0.098 0.000 2.026 139 L HA -0.327 4.013 4.340 0.000 0.000 0.231 139 L C 1.638 178.560 176.870 0.087 0.000 1.095 139 L CA 2.043 56.919 54.840 0.060 0.000 0.810 139 L CB -0.398 41.672 42.059 0.018 0.000 0.909 139 L HN 0.412 nan 8.230 nan 0.000 0.444 140 L N -1.205 120.068 121.223 0.083 0.000 2.187 140 L HA -0.257 4.083 4.340 0.000 0.000 0.213 140 L C 2.545 179.480 176.870 0.108 0.000 1.100 140 L CA 1.448 56.334 54.840 0.077 0.000 0.765 140 L CB -0.463 41.630 42.059 0.057 0.000 0.904 140 L HN 0.532 nan 8.230 nan 0.000 0.437 141 Q N -1.430 118.471 119.800 0.168 0.000 2.378 141 Q HA -0.034 4.306 4.340 0.000 0.000 0.205 141 Q C 1.701 177.861 176.000 0.266 0.000 0.954 141 Q CA 0.686 56.635 55.803 0.243 0.000 0.901 141 Q CB 0.101 28.983 28.738 0.240 0.000 0.981 141 Q HN 0.305 nan 8.270 nan 0.000 0.483 142 S N 0.586 116.428 115.700 0.237 0.000 2.710 142 S HA 0.209 4.679 4.470 0.000 0.000 0.224 142 S C 0.043 174.638 174.600 -0.007 0.000 0.948 142 S CA 0.160 58.423 58.200 0.106 0.000 0.949 142 S CB 0.062 63.275 63.200 0.022 0.000 0.778 142 S HN 0.177 nan 8.310 nan 0.000 0.498 143 L N 0.854 122.083 121.223 0.010 0.000 2.409 143 L HA 0.419 4.759 4.340 0.000 0.000 0.262 143 L C -2.759 174.105 176.870 -0.011 0.000 0.992 143 L CA -2.801 52.034 54.840 -0.008 0.000 0.817 143 L CB 1.740 43.808 42.059 0.016 0.000 1.350 143 L HN -0.282 nan 8.230 nan 0.000 0.411 144 P HA -0.000 nan 4.420 nan 0.000 0.213 144 P C -0.858 176.458 177.300 0.027 0.000 1.492 144 P CA 0.854 63.963 63.100 0.016 0.000 1.034 144 P CB -0.793 30.918 31.700 0.019 0.000 1.816 145 I N -3.344 117.239 120.570 0.022 0.000 2.994 145 I HA 0.573 4.744 4.170 0.000 0.000 0.306 145 I C -1.100 175.011 176.117 -0.010 0.000 1.195 145 I CA -1.248 60.053 61.300 0.002 0.000 1.001 145 I CB 3.049 41.044 38.000 -0.009 0.000 1.244 145 I HN -0.322 nan 8.210 nan 0.000 0.437 146 D N 3.610 123.981 120.400 -0.047 0.000 2.217 146 D HA 0.515 5.155 4.640 0.000 0.000 0.243 146 D C -0.813 175.402 176.300 -0.143 0.000 1.054 146 D CA -0.419 53.525 54.000 -0.093 0.000 0.838 146 D CB 2.353 43.080 40.800 -0.122 0.000 1.162 146 D HN 0.474 nan 8.370 nan 0.000 0.472 147 R N 0.689 121.092 120.500 -0.162 0.000 2.807 147 R HA 0.321 4.661 4.340 0.000 0.000 0.276 147 R C -0.334 175.825 176.300 -0.235 0.000 0.979 147 R CA -0.842 55.160 56.100 -0.162 0.000 0.928 147 R CB 2.117 32.367 30.300 -0.084 0.000 1.191 147 R HN 0.427 nan 8.270 nan 0.000 0.471 148 H N 2.753 121.780 119.070 -0.071 0.000 2.742 148 H HA 0.287 4.843 4.556 0.000 0.000 0.302 148 H C -0.116 175.137 175.328 -0.125 0.000 1.069 148 H CA 0.507 56.506 56.048 -0.082 0.000 1.446 148 H CB 0.872 30.596 29.762 -0.062 0.000 1.462 148 H HN 0.274 nan 8.280 nan 0.000 0.499 149 M N 3.183 122.738 119.600 -0.076 0.000 2.618 149 M HA 0.217 4.697 4.480 0.000 0.000 0.281 149 M C -1.764 174.429 176.300 -0.179 0.000 1.267 149 M CA -1.627 53.541 55.300 -0.220 0.000 0.845 149 M CB 2.838 35.139 32.600 -0.498 0.000 1.732 149 M HN 0.275 nan 8.290 nan 0.000 0.461 150 P HA 0.140 nan 4.420 nan 0.000 0.255 150 P C -1.430 175.902 177.300 0.054 0.000 1.248 150 P CA 0.672 63.759 63.100 -0.021 0.000 0.807 150 P CB -0.086 31.649 31.700 0.058 0.000 1.150 151 Y N -2.406 117.891 120.300 -0.005 0.000 2.581 151 Y HA 0.590 5.140 4.550 0.000 0.000 0.345 151 Y C -0.558 175.328 175.900 -0.023 0.000 1.036 151 Y CA -2.383 55.708 58.100 -0.014 0.000 1.042 151 Y CB 0.475 38.921 38.460 -0.023 0.000 1.289 151 Y HN -0.404 nan 8.280 nan 0.000 0.471 152 I N 2.927 123.601 120.570 0.174 0.000 2.416 152 I HA 0.128 4.298 4.170 0.000 0.000 0.288 152 I C 0.235 176.428 176.117 0.126 0.000 1.051 152 I CA -0.205 61.135 61.300 0.068 0.000 1.375 152 I CB 0.810 38.844 38.000 0.056 0.000 1.407 152 I HN 0.802 nan 8.210 nan 0.000 0.516 153 Q N 5.468 125.259 119.800 -0.015 0.000 2.330 153 Q HA 0.165 4.505 4.340 0.000 0.000 0.279 153 Q C -1.187 174.690 176.000 -0.205 0.000 1.024 153 Q CA 0.374 56.135 55.803 -0.071 0.000 0.900 153 Q CB 0.725 29.352 28.738 -0.186 0.000 1.221 153 Q HN 0.445 nan 8.270 nan 0.000 0.396 154 V N 6.364 126.154 119.914 -0.206 0.000 2.350 154 V HA 0.321 4.441 4.120 0.000 0.000 0.285 154 V C -0.447 175.464 176.094 -0.304 0.000 1.014 154 V CA -0.738 61.447 62.300 -0.191 0.000 0.831 154 V CB 0.938 32.760 31.823 -0.002 0.000 1.000 154 V HN 0.853 nan 8.190 nan 0.000 0.433 155 H N 4.399 123.448 119.070 -0.035 0.000 2.570 155 H HA 0.698 5.254 4.556 0.000 0.000 0.342 155 H C -0.429 174.904 175.328 0.009 0.000 1.245 155 H CA -0.901 55.076 56.048 -0.118 0.000 1.318 155 H CB 1.386 31.146 29.762 -0.004 0.000 1.694 155 H HN 0.342 nan 8.280 nan 0.000 0.592 156 R N 0.139 120.736 120.500 0.160 0.000 2.621 156 R HA 0.525 4.865 4.340 0.000 0.000 0.292 156 R C -0.330 176.246 176.300 0.460 0.000 0.969 156 R CA -1.001 55.238 56.100 0.231 0.000 0.887 156 R CB 1.994 32.351 30.300 0.094 0.000 1.180 156 R HN 0.756 nan 8.270 nan 0.000 0.450 157 A N 2.659 125.682 122.820 0.338 0.000 2.386 157 A HA 0.286 4.607 4.320 0.000 0.000 0.246 157 A C 1.135 178.797 177.584 0.131 0.000 1.089 157 A CA -0.052 52.127 52.037 0.237 0.000 0.790 157 A CB 0.313 19.386 19.000 0.122 0.000 1.042 157 A HN 0.739 nan 8.150 nan 0.000 0.497 158 L N 0.293 121.419 121.223 -0.162 0.000 2.269 158 L HA 0.081 4.421 4.340 0.000 0.000 0.200 158 L C 1.205 178.009 176.870 -0.110 0.000 1.069 158 L CA 0.495 55.257 54.840 -0.131 0.000 0.804 158 L CB -0.546 41.347 42.059 -0.277 0.000 0.987 158 L HN 0.647 nan 8.230 nan 0.000 0.468 159 S N -0.524 115.073 115.700 -0.172 0.000 2.713 159 S HA 0.177 4.647 4.470 0.000 0.000 0.277 159 S C -0.254 174.316 174.600 -0.050 0.000 1.168 159 S CA -0.633 57.505 58.200 -0.104 0.000 0.994 159 S CB 1.556 64.682 63.200 -0.122 0.000 1.054 159 S HN 0.167 nan 8.310 nan 0.000 0.555 160 E N 1.357 121.537 120.200 -0.032 0.000 2.598 160 E HA -0.139 4.211 4.350 0.000 0.000 0.273 160 E C -0.001 176.601 176.600 0.003 0.000 1.029 160 E CA 0.611 57.006 56.400 -0.009 0.000 0.985 160 E CB 0.182 29.878 29.700 -0.007 0.000 0.988 160 E HN 0.527 nan 8.360 nan 0.000 0.460 161 M N 2.582 122.193 119.600 0.019 0.000 3.003 161 M HA 0.300 4.780 4.480 0.000 0.000 0.221 161 M C -0.725 175.595 176.300 0.034 0.000 1.126 161 M CA -0.302 55.017 55.300 0.032 0.000 0.778 161 M CB 0.686 33.312 32.600 0.044 0.000 1.380 161 M HN 0.247 nan 8.290 nan 0.000 0.508 162 D N 2.307 122.725 120.400 0.030 0.000 2.934 162 D HA 0.176 4.816 4.640 0.000 0.000 0.237 162 D C 0.907 177.230 176.300 0.039 0.000 1.158 162 D CA 0.062 54.081 54.000 0.033 0.000 0.971 162 D CB 0.069 40.885 40.800 0.026 0.000 1.123 162 D HN 0.679 nan 8.370 nan 0.000 0.467 163 L N 0.456 121.706 121.223 0.045 0.000 2.633 163 L HA -0.087 4.253 4.340 0.000 0.000 0.235 163 L C 1.858 178.761 176.870 0.054 0.000 1.163 163 L CA 0.457 55.325 54.840 0.047 0.000 0.859 163 L CB -0.053 42.033 42.059 0.046 0.000 0.973 163 L HN 0.137 nan 8.230 nan 0.000 0.451 164 T N -1.482 113.105 114.554 0.056 0.000 2.777 164 T HA -0.098 4.253 4.350 0.000 0.000 0.266 164 T C 0.609 175.340 174.700 0.052 0.000 1.040 164 T CA 0.935 63.071 62.100 0.061 0.000 1.141 164 T CB -0.195 68.707 68.868 0.055 0.000 0.868 164 T HN 0.460 nan 8.240 nan 0.000 0.444 165 D N 0.985 121.411 120.400 0.044 0.000 2.374 165 D HA 0.186 4.827 4.640 0.000 0.000 0.239 165 D C 0.954 177.277 176.300 0.039 0.000 0.991 165 D CA -0.330 53.693 54.000 0.039 0.000 0.960 165 D CB 1.534 42.354 40.800 0.033 0.000 1.284 165 D HN 0.160 nan 8.370 nan 0.000 0.512 166 T N -2.639 111.938 114.554 0.038 0.000 3.067 166 T HA -0.047 4.303 4.350 0.000 0.000 0.261 166 T C 1.419 176.143 174.700 0.039 0.000 1.110 166 T CA 1.067 63.191 62.100 0.041 0.000 1.113 166 T CB -0.614 68.279 68.868 0.041 0.000 0.917 166 T HN 0.429 nan 8.240 nan 0.000 0.499 167 T N 1.509 116.084 114.554 0.035 0.000 2.951 167 T HA -0.005 4.345 4.350 0.000 0.000 0.268 167 T C 2.223 176.944 174.700 0.034 0.000 1.073 167 T CA 1.084 63.203 62.100 0.033 0.000 1.134 167 T CB -0.419 68.466 68.868 0.027 0.000 0.884 167 T HN 0.399 nan 8.240 nan 0.000 0.479 168 S N 1.119 116.839 115.700 0.033 0.000 2.344 168 S HA -0.045 4.426 4.470 0.000 0.000 0.217 168 S C 2.044 176.670 174.600 0.043 0.000 1.033 168 S CA 1.226 59.446 58.200 0.034 0.000 1.017 168 S CB -0.476 62.744 63.200 0.034 0.000 0.941 168 S HN 0.449 nan 8.310 nan 0.000 0.430 169 M N 1.113 120.740 119.600 0.045 0.000 2.089 169 M HA -0.242 4.238 4.480 0.000 0.000 0.257 169 M C 2.135 178.467 176.300 0.053 0.000 1.071 169 M CA 1.709 57.039 55.300 0.049 0.000 1.096 169 M CB -0.305 32.324 32.600 0.047 0.000 1.330 169 M HN 0.223 nan 8.290 nan 0.000 0.403 170 R N -0.219 120.312 120.500 0.052 0.000 2.096 170 R HA -0.129 4.211 4.340 0.000 0.000 0.235 170 R C 1.848 178.181 176.300 0.056 0.000 1.127 170 R CA 1.654 57.786 56.100 0.054 0.000 0.968 170 R CB -0.494 29.837 30.300 0.053 0.000 0.861 170 R HN 0.516 nan 8.270 nan 0.000 0.440 171 N N 1.044 119.776 118.700 0.054 0.000 2.062 171 N HA -0.159 4.581 4.740 0.000 0.000 0.191 171 N C 1.716 177.280 175.510 0.091 0.000 1.042 171 N CA 0.811 53.896 53.050 0.059 0.000 0.845 171 N CB -0.579 37.933 38.487 0.041 0.000 1.024 171 N HN 0.035 nan 8.380 nan 0.000 0.424 172 L N 1.246 122.524 121.223 0.092 0.000 2.010 172 L HA -0.173 4.167 4.340 0.000 0.000 0.219 172 L C 2.051 179.015 176.870 0.157 0.000 1.077 172 L CA 1.507 56.432 54.840 0.141 0.000 0.773 172 L CB -1.168 40.953 42.059 0.104 0.000 0.892 172 L HN 0.229 nan 8.230 nan 0.000 0.436 173 L N -0.097 121.180 121.223 0.090 0.000 2.127 173 L HA -0.040 4.301 4.340 0.000 0.000 0.211 173 L C 2.319 179.200 176.870 0.018 0.000 1.089 173 L CA 2.078 56.947 54.840 0.048 0.000 0.757 173 L CB -1.518 40.567 42.059 0.043 0.000 0.899 173 L HN 0.348 nan 8.230 nan 0.000 0.434 174 G N -1.367 107.465 108.800 0.053 0.000 2.432 174 G HA2 -0.328 3.633 3.960 0.000 0.000 0.219 174 G HA3 -0.328 3.633 3.960 0.000 0.000 0.219 174 G C 1.468 176.413 174.900 0.076 0.000 1.135 174 G CA 0.827 45.951 45.100 0.040 0.000 0.767 174 G HN 0.469 nan 8.290 nan 0.000 0.550 175 F N 2.513 122.444 119.950 -0.031 0.000 2.118 175 F HA -0.039 4.488 4.527 0.001 0.000 0.293 175 F C 2.988 178.763 175.800 -0.041 0.000 1.102 175 F CA 2.125 60.108 58.000 -0.027 0.000 1.247 175 F CB -0.806 38.199 39.000 0.007 0.000 1.017 175 F HN 0.173 nan 8.300 nan 0.000 0.475 176 T N -1.928 112.534 114.554 -0.154 0.000 3.007 176 T HA -0.108 4.242 4.350 0.000 0.000 0.270 176 T C 1.929 176.470 174.700 -0.265 0.000 1.107 176 T CA 1.142 63.085 62.100 -0.261 0.000 1.118 176 T CB -1.044 67.807 68.868 -0.029 0.000 0.889 176 T HN 0.340 nan 8.240 nan 0.000 0.506 177 S N 0.832 116.346 115.700 -0.311 0.000 2.562 177 S HA 0.183 4.653 4.470 0.000 0.000 0.221 177 S C 1.536 175.878 174.600 -0.431 0.000 0.975 177 S CA -0.316 57.538 58.200 -0.576 0.000 0.918 177 S CB -0.189 62.462 63.200 -0.915 0.000 0.772 177 S HN 0.479 nan 8.310 nan 0.000 0.531 178 K N 0.803 121.012 120.400 -0.318 0.000 2.373 178 K HA 0.396 4.716 4.320 0.000 0.000 0.202 178 K C 0.007 176.460 176.600 -0.244 0.000 1.025 178 K CA -0.014 56.136 56.287 -0.229 0.000 1.115 178 K CB 0.266 32.662 32.500 -0.172 0.000 0.858 178 K HN 0.414 nan 8.250 nan 0.000 0.525 179 L N 0.721 121.759 121.223 -0.307 0.000 2.335 179 L HA 0.273 4.613 4.340 0.000 0.000 0.268 179 L C 0.843 177.679 176.870 -0.058 0.000 1.016 179 L CA -0.940 53.724 54.840 -0.293 0.000 0.805 179 L CB 1.177 42.806 42.059 -0.717 0.000 1.311 179 L HN -0.052 nan 8.230 nan 0.000 0.456 180 S N -0.615 115.130 115.700 0.074 0.000 2.608 180 S HA 0.578 5.049 4.470 0.000 0.000 0.261 180 S C -0.215 174.503 174.600 0.196 0.000 1.314 180 S CA -0.430 57.859 58.200 0.149 0.000 0.992 180 S CB 1.047 64.335 63.200 0.146 0.000 0.935 180 S HN 0.734 nan 8.310 nan 0.000 0.564 181 T N -2.057 112.543 114.554 0.077 0.000 2.894 181 T HA 0.537 4.888 4.350 0.000 0.000 0.309 181 T C -0.845 173.834 174.700 -0.035 0.000 1.208 181 T CA -0.873 61.246 62.100 0.033 0.000 1.016 181 T CB 1.156 70.051 68.868 0.045 0.000 1.192 181 T HN 0.563 nan 8.240 nan 0.000 0.491 182 T N 2.969 117.489 114.554 -0.057 0.000 2.771 182 T HA 0.460 4.810 4.350 0.000 0.000 0.291 182 T C 0.572 175.224 174.700 -0.079 0.000 0.954 182 T CA -0.652 61.390 62.100 -0.097 0.000 1.045 182 T CB 0.176 68.978 68.868 -0.109 0.000 0.917 182 T HN 0.474 nan 8.240 nan 0.000 0.484 183 L N 3.691 124.837 121.223 -0.128 0.000 2.514 183 L HA 0.288 4.628 4.340 0.000 0.000 0.280 183 L C 0.049 176.905 176.870 -0.023 0.000 1.223 183 L CA 0.210 54.986 54.840 -0.106 0.000 0.864 183 L CB 0.108 42.026 42.059 -0.236 0.000 1.118 183 L HN 0.529 nan 8.230 nan 0.000 0.494 184 I N 4.062 124.650 120.570 0.030 0.000 2.499 184 I HA 0.355 4.525 4.170 0.000 0.000 0.288 184 I C -2.101 174.073 176.117 0.095 0.000 1.048 184 I CA -1.744 59.593 61.300 0.063 0.000 1.062 184 I CB 2.257 40.304 38.000 0.080 0.000 1.238 184 I HN 0.453 nan 8.210 nan 0.000 0.426 185 P HA 0.342 nan 4.420 nan 0.000 0.282 185 P C -1.557 175.781 177.300 0.064 0.000 1.259 185 P CA -0.272 62.837 63.100 0.014 0.000 0.826 185 P CB 0.891 32.578 31.700 -0.021 0.000 1.064 186 H N -1.294 117.823 119.070 0.078 0.000 2.538 186 H HA 0.567 5.123 4.556 0.000 0.000 0.353 186 H C -0.148 175.195 175.328 0.025 0.000 1.109 186 H CA -1.007 55.065 56.048 0.041 0.000 1.192 186 H CB 0.318 30.113 29.762 0.053 0.000 1.555 186 H HN 0.264 nan 8.280 nan 0.000 0.518 187 N N 1.600 120.407 118.700 0.177 0.000 2.405 187 N HA 0.327 5.067 4.740 0.000 0.000 0.269 187 N C 0.930 176.531 175.510 0.152 0.000 1.249 187 N CA -0.378 52.755 53.050 0.139 0.000 0.974 187 N CB 0.423 38.947 38.487 0.061 0.000 1.204 187 N HN 0.728 nan 8.380 nan 0.000 0.565 188 A N -1.266 121.608 122.820 0.089 0.000 2.121 188 A HA -0.173 4.147 4.320 0.000 0.000 0.218 188 A C 1.926 179.503 177.584 -0.011 0.000 1.154 188 A CA 1.168 53.228 52.037 0.038 0.000 0.679 188 A CB -0.895 18.123 19.000 0.029 0.000 0.795 188 A HN 0.832 nan 8.150 nan 0.000 0.458 189 Q N -0.028 119.767 119.800 -0.008 0.000 2.245 189 Q HA -0.110 4.230 4.340 0.000 0.000 0.201 189 Q C 1.579 177.543 176.000 -0.061 0.000 0.955 189 Q CA 1.760 57.543 55.803 -0.033 0.000 0.870 189 Q CB -0.078 28.646 28.738 -0.024 0.000 0.945 189 Q HN 0.667 nan 8.270 nan 0.000 0.461 190 T N -2.876 111.644 114.554 -0.057 0.000 3.023 190 T HA 0.048 4.398 4.350 0.000 0.000 0.253 190 T C 0.228 174.815 174.700 -0.189 0.000 1.038 190 T CA -0.095 61.945 62.100 -0.100 0.000 0.962 190 T CB 0.178 69.012 68.868 -0.057 0.000 1.018 190 T HN 0.068 nan 8.240 nan 0.000 0.521 191 D N 3.989 124.256 120.400 -0.221 0.000 2.348 191 D HA 0.159 4.799 4.640 0.000 0.000 0.259 191 D C -1.161 174.947 176.300 -0.320 0.000 1.296 191 D CA -2.431 51.300 54.000 -0.448 0.000 0.931 191 D CB 1.354 41.832 40.800 -0.537 0.000 1.067 191 D HN 0.068 nan 8.370 nan 0.000 0.503 192 P HA -0.167 nan 4.420 nan 0.000 0.219 192 P C 1.170 178.353 177.300 -0.194 0.000 1.144 192 P CA 0.904 63.849 63.100 -0.258 0.000 0.806 192 P CB 0.296 31.860 31.700 -0.227 0.000 0.771 193 L N -2.058 119.049 121.223 -0.194 0.000 2.640 193 L HA 0.152 4.493 4.340 0.000 0.000 0.230 193 L C 1.425 178.202 176.870 -0.155 0.000 1.123 193 L CA 0.025 54.734 54.840 -0.219 0.000 0.900 193 L CB 0.035 41.999 42.059 -0.158 0.000 1.146 193 L HN -0.110 nan 8.230 nan 0.000 0.484 194 S N -1.227 114.384 115.700 -0.149 0.000 2.566 194 S HA 0.748 5.218 4.470 0.000 0.000 0.277 194 S C 0.530 175.077 174.600 -0.089 0.000 1.150 194 S CA 0.171 58.309 58.200 -0.102 0.000 1.032 194 S CB 1.083 64.227 63.200 -0.093 0.000 1.157 194 S HN 0.445 nan 8.310 nan 0.000 0.507 195 G N 1.138 109.898 108.800 -0.065 0.000 2.645 195 G HA2 -0.173 3.787 3.960 0.000 0.000 0.239 195 G HA3 -0.173 3.787 3.960 0.000 0.000 0.239 195 G C -2.273 172.599 174.900 -0.046 0.000 1.331 195 G CA -0.027 45.040 45.100 -0.055 0.000 0.890 195 G HN 0.532 nan 8.290 nan 0.000 0.572 196 P HA 0.181 nan 4.420 nan 0.000 0.216 196 P C 1.035 178.315 177.300 -0.034 0.000 1.151 196 P CA 2.207 65.287 63.100 -0.033 0.000 0.863 196 P CB 0.142 31.825 31.700 -0.028 0.000 0.790 197 T N -2.373 112.157 114.554 -0.039 0.000 3.401 197 T HA 0.371 4.721 4.350 0.000 0.000 0.341 197 T C -2.854 171.814 174.700 -0.053 0.000 1.674 197 T CA -2.062 60.014 62.100 -0.040 0.000 1.600 197 T CB 0.330 69.178 68.868 -0.034 0.000 0.974 197 T HN -0.061 nan 8.240 nan 0.000 0.672 198 P HA 0.240 nan 4.420 nan 0.000 0.271 198 P C 0.141 177.325 177.300 -0.194 0.000 1.233 198 P CA 0.074 63.075 63.100 -0.165 0.000 0.764 198 P CB 0.054 31.638 31.700 -0.192 0.000 0.825 199 F N 0.609 120.269 119.950 -0.484 0.000 2.502 199 F HA -0.324 4.203 4.527 0.000 0.000 0.480 199 F C 2.191 177.631 175.800 -0.599 0.000 0.543 199 F CA 1.367 58.797 58.000 -0.950 0.000 1.350 199 F CB -2.602 35.968 39.000 -0.716 0.000 1.999 199 F HN 0.362 nan 8.300 nan 0.000 0.267 200 S N 0.037 115.645 115.700 -0.155 0.000 2.393 200 S HA -0.341 4.129 4.470 0.000 0.000 0.234 200 S C 1.840 176.361 174.600 -0.132 0.000 1.064 200 S CA 2.061 60.186 58.200 -0.126 0.000 1.088 200 S CB -1.111 62.050 63.200 -0.065 0.000 0.939 200 S HN 0.607 nan 8.310 nan 0.000 0.448 201 S N 1.714 117.380 115.700 -0.057 0.000 2.547 201 S HA 0.189 4.660 4.470 0.000 0.000 0.235 201 S C 1.552 176.139 174.600 -0.022 0.000 0.980 201 S CA 0.651 58.868 58.200 0.028 0.000 0.941 201 S CB -0.696 62.605 63.200 0.170 0.000 0.763 201 S HN 0.577 nan 8.310 nan 0.000 0.532 202 I N 0.758 121.176 120.570 -0.253 0.000 2.163 202 I HA -0.212 3.958 4.170 0.000 0.000 0.243 202 I C 1.583 177.596 176.117 -0.174 0.000 1.085 202 I CA 1.755 62.858 61.300 -0.329 0.000 1.347 202 I CB -0.173 37.384 38.000 -0.739 0.000 1.044 202 I HN 0.210 nan 8.210 nan 0.000 0.408 203 F N 0.154 120.091 119.950 -0.022 0.000 2.259 203 F HA -0.160 4.367 4.527 0.000 0.000 0.298 203 F C 2.481 178.284 175.800 0.005 0.000 1.088 203 F CA 1.113 59.103 58.000 -0.016 0.000 1.358 203 F CB -0.998 37.986 39.000 -0.027 0.000 1.040 203 F HN 0.088 nan 8.300 nan 0.000 0.505 204 M N 0.187 119.902 119.600 0.191 0.000 2.067 204 M HA -0.212 4.268 4.480 0.000 0.000 0.260 204 M C 1.791 178.143 176.300 0.087 0.000 1.069 204 M CA 1.949 57.335 55.300 0.143 0.000 1.117 204 M CB -0.297 32.391 32.600 0.146 0.000 1.334 204 M HN -0.071 nan 8.290 nan 0.000 0.407 205 D N -0.082 120.376 120.400 0.097 0.000 2.104 205 D HA -0.160 4.481 4.640 0.000 0.000 0.194 205 D C 1.905 178.212 176.300 0.011 0.000 0.994 205 D CA 2.086 56.152 54.000 0.110 0.000 0.830 205 D CB -0.702 40.220 40.800 0.204 0.000 0.959 205 D HN 0.413 nan 8.370 nan 0.000 0.452 206 T N -0.011 114.536 114.554 -0.012 0.000 2.867 206 T HA -0.133 4.217 4.350 0.000 0.000 0.268 206 T C 2.172 176.634 174.700 -0.395 0.000 1.057 206 T CA 0.631 62.538 62.100 -0.321 0.000 1.136 206 T CB -0.499 68.365 68.868 -0.007 0.000 0.874 206 T HN 0.232 nan 8.240 nan 0.000 0.466 207 C N 2.203 121.415 119.300 -0.146 0.000 2.432 207 C HA -0.060 4.400 4.460 0.000 0.000 0.277 207 C C 2.791 177.699 174.990 -0.136 0.000 1.249 207 C CA 0.925 59.877 59.018 -0.111 0.000 1.725 207 C CB -0.785 26.938 27.740 -0.027 0.000 2.028 207 C HN 0.627 nan 8.230 nan 0.000 0.477 208 R N 0.370 120.806 120.500 -0.107 0.000 2.297 208 R HA 0.155 4.495 4.340 0.000 0.000 0.197 208 R C 2.023 178.262 176.300 -0.102 0.000 0.943 208 R CA 1.128 57.183 56.100 -0.074 0.000 1.038 208 R CB -0.640 29.650 30.300 -0.017 0.000 0.957 208 R HN 0.484 nan 8.270 nan 0.000 0.484 209 G N 2.709 111.349 108.800 -0.268 0.000 2.464 209 G HA2 -0.052 3.908 3.960 0.000 0.000 0.214 209 G HA3 -0.052 3.908 3.960 0.000 0.000 0.214 209 G C 0.733 175.483 174.900 -0.249 0.000 1.218 209 G CA 0.057 44.961 45.100 -0.327 0.000 0.794 209 G HN 0.092 nan 8.290 nan 0.000 0.542 210 L N 1.019 121.954 121.223 -0.481 0.000 2.540 210 L HA 0.349 4.689 4.340 0.000 0.000 0.276 210 L C 1.672 178.514 176.870 -0.048 0.000 1.212 210 L CA 0.929 55.680 54.840 -0.149 0.000 0.893 210 L CB 0.555 42.524 42.059 -0.150 0.000 1.138 210 L HN 0.531 nan 8.230 nan 0.000 0.491 211 G N 2.241 111.055 108.800 0.024 0.000 2.254 211 G HA2 -0.257 3.703 3.960 0.000 0.000 0.225 211 G HA3 -0.257 3.703 3.960 0.000 0.000 0.225 211 G C 0.645 175.574 174.900 0.047 0.000 1.003 211 G CA 0.122 45.238 45.100 0.027 0.000 0.622 211 G HN 0.639 nan 8.290 nan 0.000 0.507 212 N N 0.669 119.411 118.700 0.070 0.000 2.170 212 N HA 0.534 5.275 4.740 0.000 0.000 0.222 212 N C 0.648 176.234 175.510 0.127 0.000 1.218 212 N CA 0.747 53.849 53.050 0.085 0.000 0.889 212 N CB 1.095 39.627 38.487 0.074 0.000 1.083 212 N HN 0.869 nan 8.380 nan 0.000 0.520 213 A N 0.513 123.433 122.820 0.167 0.000 2.269 213 A HA 0.641 4.961 4.320 0.000 0.000 0.327 213 A C -0.111 177.553 177.584 0.133 0.000 1.112 213 A CA -0.405 51.749 52.037 0.195 0.000 0.865 213 A CB 1.236 20.432 19.000 0.326 0.000 1.227 213 A HN -0.027 nan 8.150 nan 0.000 0.498 214 K N 0.280 120.746 120.400 0.111 0.000 2.253 214 K HA 0.562 4.882 4.320 0.000 0.000 0.277 214 K C -1.600 175.048 176.600 0.081 0.000 1.053 214 K CA -0.120 56.215 56.287 0.080 0.000 0.892 214 K CB 0.562 33.096 32.500 0.057 0.000 1.102 214 K HN 0.550 nan 8.250 nan 0.000 0.469 215 L N 2.952 124.224 121.223 0.082 0.000 2.409 215 L HA 0.588 4.928 4.340 0.000 0.000 0.272 215 L C -1.336 175.568 176.870 0.057 0.000 0.980 215 L CA 0.036 54.923 54.840 0.080 0.000 0.826 215 L CB 2.211 44.350 42.059 0.134 0.000 1.268 215 L HN 0.602 nan 8.230 nan 0.000 0.407 216 S N 5.906 121.627 115.700 0.035 0.000 2.659 216 S HA 0.692 5.163 4.470 0.000 0.000 0.312 216 S C -1.121 173.477 174.600 -0.003 0.000 1.114 216 S CA -0.618 57.590 58.200 0.014 0.000 1.063 216 S CB 0.456 63.654 63.200 -0.004 0.000 0.996 216 S HN 0.633 nan 8.310 nan 0.000 0.478 217 L N 4.407 125.632 121.223 0.003 0.000 2.282 217 L HA 0.501 4.841 4.340 0.000 0.000 0.288 217 L C 0.388 177.212 176.870 -0.076 0.000 1.033 217 L CA -0.877 53.938 54.840 -0.043 0.000 0.807 217 L CB 0.789 42.879 42.059 0.053 0.000 1.209 217 L HN 0.755 nan 8.230 nan 0.000 0.423 218 N N 2.931 121.545 118.700 -0.144 0.000 2.708 218 N HA -0.236 4.504 4.740 0.000 0.000 0.251 218 N C 0.970 176.435 175.510 -0.076 0.000 1.017 218 N CA 1.280 54.261 53.050 -0.116 0.000 0.742 218 N CB -0.720 37.702 38.487 -0.108 0.000 0.943 218 N HN 1.080 nan 8.380 nan 0.000 0.539 219 G N -3.465 105.293 108.800 -0.071 0.000 2.284 219 G HA2 -0.349 3.612 3.960 0.000 0.000 0.247 219 G HA3 -0.349 3.612 3.960 0.000 0.000 0.247 219 G C 0.157 175.028 174.900 -0.048 0.000 1.012 219 G CA 0.258 45.316 45.100 -0.070 0.000 0.618 219 G HN 0.611 nan 8.290 nan 0.000 0.521 220 V N 1.289 121.185 119.914 -0.030 0.000 2.637 220 V HA 0.437 4.557 4.120 0.000 0.000 0.296 220 V C 0.531 176.627 176.094 0.003 0.000 1.046 220 V CA 0.167 62.462 62.300 -0.009 0.000 1.066 220 V CB 1.534 33.361 31.823 0.007 0.000 0.968 220 V HN 0.418 nan 8.190 nan 0.000 0.483 221 D N 3.786 124.191 120.400 0.008 0.000 2.277 221 D HA 0.309 4.949 4.640 0.000 0.000 0.249 221 D C -0.434 175.886 176.300 0.033 0.000 1.134 221 D CA -0.470 53.542 54.000 0.020 0.000 0.863 221 D CB 0.650 41.461 40.800 0.018 0.000 1.143 221 D HN 0.317 nan 8.370 nan 0.000 0.458 222 I N 6.585 127.184 120.570 0.047 0.000 2.287 222 I HA 0.261 4.431 4.170 0.000 0.000 0.290 222 I C -1.995 174.156 176.117 0.057 0.000 1.069 222 I CA -2.755 58.579 61.300 0.057 0.000 1.237 222 I CB 0.127 38.174 38.000 0.080 0.000 1.418 222 I HN 0.298 nan 8.210 nan 0.000 0.481 223 P HA 0.100 nan 4.420 nan 0.000 0.273 223 P C 0.741 178.069 177.300 0.046 0.000 1.250 223 P CA -0.165 62.960 63.100 0.042 0.000 0.793 223 P CB 1.214 32.933 31.700 0.031 0.000 1.011 224 A N 1.374 124.220 122.820 0.043 0.000 1.883 224 A HA -0.270 4.051 4.320 0.000 0.000 0.217 224 A C 2.224 179.826 177.584 0.030 0.000 1.186 224 A CA 2.175 54.237 52.037 0.042 0.000 0.624 224 A CB -1.684 17.339 19.000 0.038 0.000 0.822 224 A HN 0.664 nan 8.150 nan 0.000 0.444 225 N N 0.793 119.507 118.700 0.024 0.000 2.027 225 N HA -0.252 4.488 4.740 0.000 0.000 0.200 225 N C 1.803 177.323 175.510 0.016 0.000 1.042 225 N CA 2.827 55.887 53.050 0.016 0.000 0.871 225 N CB -0.674 37.821 38.487 0.014 0.000 1.063 225 N HN 0.400 nan 8.380 nan 0.000 0.438 226 A N 0.397 123.230 122.820 0.021 0.000 1.972 226 A HA -0.136 4.185 4.320 0.000 0.000 0.219 226 A C 2.229 179.831 177.584 0.030 0.000 1.169 226 A CA 1.454 53.504 52.037 0.021 0.000 0.635 226 A CB -0.579 18.436 19.000 0.026 0.000 0.810 226 A HN 0.613 nan 8.150 nan 0.000 0.446 227 Q N -0.317 119.509 119.800 0.043 0.000 2.124 227 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 227 Q C 2.014 178.030 176.000 0.027 0.000 0.977 227 Q CA 1.744 57.581 55.803 0.057 0.000 0.850 227 Q CB -0.191 28.594 28.738 0.078 0.000 0.901 227 Q HN 0.668 nan 8.270 nan 0.000 0.429 228 K N 0.572 120.980 120.400 0.013 0.000 2.026 228 K HA -0.114 4.206 4.320 0.000 0.000 0.208 228 K C 2.120 178.714 176.600 -0.010 0.000 1.048 228 K CA 0.997 57.281 56.287 -0.004 0.000 0.929 228 K CB -0.177 32.320 32.500 -0.004 0.000 0.713 228 K HN 0.125 nan 8.250 nan 0.000 0.439 229 L N 0.774 121.992 121.223 -0.008 0.000 2.021 229 L HA -0.268 4.072 4.340 0.000 0.000 0.215 229 L C 2.484 179.343 176.870 -0.019 0.000 1.074 229 L CA 0.967 55.795 54.840 -0.019 0.000 0.760 229 L CB -0.552 41.494 42.059 -0.022 0.000 0.889 229 L HN 0.220 nan 8.230 nan 0.000 0.433 230 L N -0.052 121.171 121.223 -0.000 0.000 2.056 230 L HA -0.202 4.138 4.340 0.000 0.000 0.207 230 L C 2.766 179.635 176.870 -0.001 0.000 1.078 230 L CA 1.628 56.473 54.840 0.009 0.000 0.749 230 L CB -0.602 41.485 42.059 0.047 0.000 0.901 230 L HN 0.123 nan 8.230 nan 0.000 0.433 231 R N -0.532 119.964 120.500 -0.008 0.000 2.096 231 R HA -0.212 4.128 4.340 0.000 0.000 0.240 231 R C 1.900 178.180 176.300 -0.033 0.000 1.139 231 R CA 2.180 58.263 56.100 -0.028 0.000 0.952 231 R CB -0.424 29.848 30.300 -0.048 0.000 0.854 231 R HN 0.420 nan 8.270 nan 0.000 0.436 232 D N 0.292 120.673 120.400 -0.032 0.000 2.092 232 D HA -0.144 4.496 4.640 0.000 0.000 0.193 232 D C 1.816 178.093 176.300 -0.038 0.000 0.994 232 D CA 1.745 55.724 54.000 -0.035 0.000 0.828 232 D CB -0.533 40.248 40.800 -0.031 0.000 0.963 232 D HN 0.402 nan 8.370 nan 0.000 0.450 233 A N 0.511 123.308 122.820 -0.037 0.000 2.009 233 A HA -0.217 4.103 4.320 0.000 0.000 0.222 233 A C 2.312 179.872 177.584 -0.040 0.000 1.175 233 A CA 1.303 53.316 52.037 -0.040 0.000 0.651 233 A CB -0.877 18.098 19.000 -0.042 0.000 0.815 233 A HN 0.287 nan 8.150 nan 0.000 0.459 234 L N -2.507 118.691 121.223 -0.041 0.000 2.240 234 L HA 0.127 4.467 4.340 0.000 0.000 0.211 234 L C 1.908 178.729 176.870 -0.081 0.000 1.106 234 L CA 0.832 55.640 54.840 -0.054 0.000 0.793 234 L CB -0.193 41.843 42.059 -0.039 0.000 0.927 234 L HN 0.647 nan 8.230 nan 0.000 0.446 235 G N -0.471 108.284 108.800 -0.075 0.000 2.192 235 G HA2 -0.189 3.771 3.960 0.000 0.000 0.193 235 G HA3 -0.189 3.771 3.960 0.000 0.000 0.193 235 G C 0.188 175.033 174.900 -0.092 0.000 0.999 235 G CA -0.601 44.448 45.100 -0.085 0.000 0.659 235 G HN 0.106 nan 8.290 nan 0.000 0.503 236 L N 1.497 122.670 121.223 -0.083 0.000 2.401 236 L HA 0.306 4.646 4.340 0.000 0.000 0.283 236 L C 1.575 178.415 176.870 -0.051 0.000 1.151 236 L CA -0.142 54.654 54.840 -0.073 0.000 0.942 236 L CB 0.357 42.381 42.059 -0.058 0.000 1.283 236 L HN 0.166 nan 8.230 nan 0.000 0.442 237 K N 1.293 121.665 120.400 -0.048 0.000 2.079 237 K HA 0.056 4.376 4.320 0.000 0.000 0.214 237 K C 0.446 177.026 176.600 -0.033 0.000 1.024 237 K CA 0.171 56.436 56.287 -0.038 0.000 0.948 237 K CB 0.145 32.624 32.500 -0.035 0.000 0.830 237 K HN 0.600 nan 8.250 nan 0.000 0.452 238 D N -0.055 120.326 120.400 -0.031 0.000 2.451 238 D HA 0.028 4.668 4.640 0.000 0.000 0.259 238 D C 0.647 176.937 176.300 -0.017 0.000 1.201 238 D CA -0.109 53.869 54.000 -0.037 0.000 1.028 238 D CB 0.719 41.487 40.800 -0.053 0.000 1.095 238 D HN -0.012 nan 8.370 nan 0.000 0.539 239 T N -1.058 113.476 114.554 -0.033 0.000 2.995 239 T HA -0.087 4.263 4.350 0.000 0.000 0.269 239 T C 1.098 175.923 174.700 0.209 0.000 1.091 239 T CA 0.957 63.081 62.100 0.041 0.000 1.128 239 T CB -0.376 68.495 68.868 0.005 0.000 0.891 239 T HN 0.468 nan 8.240 nan 0.000 0.492 240 H N 0.786 119.868 119.070 0.019 0.000 2.549 240 H HA 0.257 4.814 4.556 0.000 0.000 0.279 240 H C 0.449 175.781 175.328 0.006 0.000 1.018 240 H CA -0.605 55.461 56.048 0.031 0.000 1.175 240 H CB 0.429 30.204 29.762 0.022 0.000 1.485 240 H HN 0.246 nan 8.280 nan 0.000 0.543 241 S N 1.399 117.149 115.700 0.084 0.000 2.452 241 S HA 0.259 4.729 4.470 0.000 0.000 0.284 241 S C 0.566 175.081 174.600 -0.142 0.000 1.171 241 S CA -0.949 57.237 58.200 -0.023 0.000 1.064 241 S CB 1.589 64.763 63.200 -0.042 0.000 0.967 241 S HN 0.288 nan 8.310 nan 0.000 0.484 242 S N 3.258 118.800 115.700 -0.262 0.000 2.617 242 S HA 0.485 4.955 4.470 0.000 0.000 0.259 242 S C -2.554 171.721 174.600 -0.542 0.000 1.301 242 S CA -1.073 56.697 58.200 -0.718 0.000 0.984 242 S CB -0.872 61.914 63.200 -0.690 0.000 0.954 242 S HN 0.539 nan 8.310 nan 0.000 0.572 243 P HA 0.174 nan 4.420 nan 0.000 0.271 243 P C -0.377 176.788 177.300 -0.224 0.000 1.244 243 P CA -0.229 62.667 63.100 -0.340 0.000 0.793 243 P CB -0.116 31.407 31.700 -0.295 0.000 0.984 244 T N 0.810 115.274 114.554 -0.149 0.000 2.888 244 T HA 0.041 4.391 4.350 0.000 0.000 0.301 244 T C 1.357 175.989 174.700 -0.113 0.000 1.001 244 T CA -0.172 61.863 62.100 -0.109 0.000 1.147 244 T CB 0.210 69.032 68.868 -0.075 0.000 0.931 244 T HN 0.374 nan 8.240 nan 0.000 0.541 245 R N 2.812 123.250 120.500 -0.103 0.000 2.185 245 R HA -0.197 4.143 4.340 0.000 0.000 0.247 245 R C 1.798 178.014 176.300 -0.140 0.000 1.159 245 R CA 1.824 57.858 56.100 -0.110 0.000 0.988 245 R CB -0.313 29.934 30.300 -0.088 0.000 0.871 245 R HN 0.523 nan 8.270 nan 0.000 0.458 246 N N -0.490 118.146 118.700 -0.107 0.000 2.058 246 N HA -0.120 4.620 4.740 0.000 0.000 0.191 246 N C 1.524 176.968 175.510 -0.111 0.000 1.037 246 N CA 1.615 54.605 53.050 -0.099 0.000 0.848 246 N CB -0.317 38.166 38.487 -0.007 0.000 1.021 246 N HN 0.041 nan 8.380 nan 0.000 0.422 247 V N 1.086 120.955 119.914 -0.076 0.000 2.515 247 V HA -0.087 4.033 4.120 0.000 0.000 0.250 247 V C 2.057 178.102 176.094 -0.081 0.000 1.058 247 V CA 0.926 63.191 62.300 -0.059 0.000 1.064 247 V CB -0.331 31.455 31.823 -0.061 0.000 0.675 247 V HN 0.300 nan 8.190 nan 0.000 0.461 248 I N -0.045 120.458 120.570 -0.111 0.000 2.394 248 I HA -0.186 3.985 4.170 0.000 0.000 0.251 248 I C 1.930 177.975 176.117 -0.121 0.000 1.136 248 I CA 1.444 62.685 61.300 -0.099 0.000 1.425 248 I CB -0.199 37.743 38.000 -0.097 0.000 1.079 248 I HN 0.365 nan 8.210 nan 0.000 0.425 249 D N -1.102 119.158 120.400 -0.234 0.000 2.338 249 D HA -0.014 4.626 4.640 0.000 0.000 0.208 249 D C 1.310 177.468 176.300 -0.236 0.000 0.997 249 D CA 0.970 54.768 54.000 -0.336 0.000 0.880 249 D CB 0.181 40.615 40.800 -0.609 0.000 0.980 249 D HN 0.377 nan 8.370 nan 0.000 0.509 250 H N -0.674 118.390 119.070 -0.010 0.000 3.078 250 H HA 0.382 4.939 4.556 0.000 0.000 0.263 250 H C 1.320 176.643 175.328 -0.008 0.000 1.177 250 H CA 0.247 56.294 56.048 -0.002 0.000 1.128 250 H CB 0.690 30.449 29.762 -0.004 0.000 1.623 250 H HN 0.063 nan 8.280 nan 0.000 0.592 251 G N 1.885 110.719 108.800 0.056 0.000 2.692 251 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 251 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 251 G C -0.048 174.852 174.900 -0.000 0.000 1.340 251 G CA -0.304 44.797 45.100 0.002 0.000 0.896 251 G HN 0.153 nan 8.290 nan 0.000 0.570 252 I N 1.232 121.778 120.570 -0.040 0.000 2.845 252 I HA 0.135 4.306 4.170 0.000 0.000 0.296 252 I C 1.886 177.997 176.117 -0.009 0.000 1.216 252 I CA 0.598 61.877 61.300 -0.035 0.000 1.438 252 I CB 0.020 37.983 38.000 -0.062 0.000 1.342 252 I HN 1.055 nan 8.210 nan 0.000 0.577 253 S N 6.535 122.238 115.700 0.006 0.000 2.569 253 S HA 0.030 4.500 4.470 0.000 0.000 0.274 253 S C 1.296 175.910 174.600 0.023 0.000 1.353 253 S CA -0.195 58.022 58.200 0.028 0.000 1.023 253 S CB 0.794 64.023 63.200 0.050 0.000 0.876 253 S HN 0.704 nan 8.310 nan 0.000 0.540 254 R N 0.361 120.884 120.500 0.037 0.000 2.092 254 R HA -0.133 4.207 4.340 0.000 0.000 0.231 254 R C 2.337 178.684 176.300 0.077 0.000 1.119 254 R CA 1.601 57.722 56.100 0.035 0.000 0.970 254 R CB -0.666 29.650 30.300 0.026 0.000 0.864 254 R HN 0.971 nan 8.270 nan 0.000 0.440 255 H N 0.159 119.222 119.070 -0.011 0.000 2.265 255 H HA -0.158 4.398 4.556 0.000 0.000 0.295 255 H C 1.021 176.345 175.328 -0.006 0.000 1.084 255 H CA 1.934 57.978 56.048 -0.008 0.000 1.261 255 H CB 0.115 29.873 29.762 -0.007 0.000 1.360 255 H HN 0.297 nan 8.280 nan 0.000 0.487 256 D N 0.708 121.020 120.400 -0.147 0.000 2.104 256 D HA -0.136 4.504 4.640 0.000 0.000 0.194 256 D C 2.335 178.560 176.300 -0.124 0.000 0.994 256 D CA 1.188 55.055 54.000 -0.222 0.000 0.830 256 D CB -0.806 39.921 40.800 -0.121 0.000 0.959 256 D HN 0.517 nan 8.370 nan 0.000 0.452 257 A N 1.317 124.100 122.820 -0.062 0.000 1.884 257 A HA -0.300 4.020 4.320 0.000 0.000 0.219 257 A C 2.101 179.672 177.584 -0.023 0.000 1.197 257 A CA 2.139 54.155 52.037 -0.035 0.000 0.637 257 A CB -0.844 18.139 19.000 -0.029 0.000 0.827 257 A HN 0.279 nan 8.150 nan 0.000 0.450 258 E N -1.107 119.086 120.200 -0.012 0.000 2.118 258 E HA -0.268 4.082 4.350 0.000 0.000 0.195 258 E C 2.283 178.878 176.600 -0.009 0.000 0.992 258 E CA 1.373 57.778 56.400 0.009 0.000 0.804 258 E CB -0.154 29.576 29.700 0.050 0.000 0.741 258 E HN 0.828 nan 8.360 nan 0.000 0.458 259 Q N 0.724 120.487 119.800 -0.061 0.000 2.046 259 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 259 Q C 2.223 178.200 176.000 -0.039 0.000 0.975 259 Q CA 1.191 56.952 55.803 -0.069 0.000 0.836 259 Q CB -0.029 28.615 28.738 -0.157 0.000 0.896 259 Q HN 0.276 nan 8.270 nan 0.000 0.428 260 I N 0.894 121.440 120.570 -0.040 0.000 2.118 260 I HA -0.355 3.815 4.170 0.000 0.000 0.241 260 I C 2.503 178.625 176.117 0.008 0.000 1.070 260 I CA 1.155 62.448 61.300 -0.011 0.000 1.327 260 I CB -0.627 37.371 38.000 -0.003 0.000 1.034 260 I HN 0.319 nan 8.210 nan 0.000 0.405 261 A N 0.934 123.761 122.820 0.013 0.000 1.859 261 A HA -0.288 4.032 4.320 0.000 0.000 0.218 261 A C 2.394 179.988 177.584 0.016 0.000 1.209 261 A CA 2.148 54.197 52.037 0.021 0.000 0.639 261 A CB -0.895 18.118 19.000 0.021 0.000 0.835 261 A HN 0.323 nan 8.150 nan 0.000 0.450 262 R N -0.662 119.845 120.500 0.012 0.000 2.140 262 R HA -0.173 4.167 4.340 0.000 0.000 0.250 262 R C 1.746 178.052 176.300 0.011 0.000 1.150 262 R CA 1.585 57.692 56.100 0.012 0.000 0.966 262 R CB -0.370 29.936 30.300 0.011 0.000 0.869 262 R HN 0.524 nan 8.270 nan 0.000 0.445 263 E N 0.367 120.572 120.200 0.009 0.000 2.516 263 E HA 0.038 4.388 4.350 0.000 0.000 0.199 263 E C 0.114 176.724 176.600 0.016 0.000 1.069 263 E CA 0.382 56.788 56.400 0.010 0.000 0.876 263 E CB 0.310 30.014 29.700 0.006 0.000 0.843 263 E HN 0.156 nan 8.360 nan 0.000 0.530 264 S N 0.106 115.817 115.700 0.018 0.000 2.681 264 S HA 0.402 4.873 4.470 0.000 0.000 0.299 264 S C -0.072 174.539 174.600 0.018 0.000 1.113 264 S CA -0.740 57.474 58.200 0.022 0.000 1.013 264 S CB 1.850 65.067 63.200 0.029 0.000 1.076 264 S HN -0.077 nan 8.310 nan 0.000 0.534 265 S N 1.123 116.834 115.700 0.018 0.000 2.422 265 S HA 0.793 5.263 4.470 0.000 0.000 0.298 265 S C 0.385 174.990 174.600 0.009 0.000 1.118 265 S CA -0.599 57.609 58.200 0.014 0.000 1.083 265 S CB 0.798 64.007 63.200 0.014 0.000 0.971 265 S HN 1.060 nan 8.310 nan 0.000 0.478 266 G N 1.542 110.347 108.800 0.008 0.000 2.321 266 G HA2 0.446 4.406 3.960 0.000 0.000 0.296 266 G HA3 0.446 4.406 3.960 0.000 0.000 0.296 266 G C -0.975 173.928 174.900 0.004 0.000 1.287 266 G CA -0.562 44.539 45.100 0.002 0.000 0.846 266 G HN 0.853 nan 8.290 nan 0.000 0.508 267 S N -0.341 115.359 115.700 0.000 0.000 2.586 267 S HA 0.421 4.892 4.470 0.000 0.000 0.274 267 S C 0.516 175.119 174.600 0.005 0.000 1.281 267 S CA 0.186 58.388 58.200 0.003 0.000 1.035 267 S CB 1.796 64.997 63.200 0.001 0.000 0.962 267 S HN 0.443 nan 8.310 nan 0.000 0.512 268 D N 1.547 121.951 120.400 0.007 0.000 2.133 268 D HA -0.157 4.483 4.640 0.000 0.000 0.195 268 D C 1.670 177.974 176.300 0.007 0.000 0.997 268 D CA 1.522 55.526 54.000 0.008 0.000 0.840 268 D CB -0.113 40.692 40.800 0.008 0.000 0.947 268 D HN 0.793 nan 8.370 nan 0.000 0.452 269 K N 0.510 120.913 120.400 0.005 0.000 2.057 269 K HA -0.127 4.193 4.320 0.000 0.000 0.206 269 K C 2.112 178.713 176.600 0.001 0.000 1.050 269 K CA 0.957 57.245 56.287 0.003 0.000 0.935 269 K CB 0.138 32.639 32.500 0.002 0.000 0.715 269 K HN 0.104 nan 8.250 nan 0.000 0.439 270 Q N 0.457 120.255 119.800 -0.003 0.000 2.016 270 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 270 Q C 2.064 178.066 176.000 0.004 0.000 0.978 270 Q CA 1.621 57.420 55.803 -0.007 0.000 0.833 270 Q CB -0.013 28.715 28.738 -0.016 0.000 0.895 270 Q HN 0.233 nan 8.270 nan 0.000 0.427 271 K N 0.408 120.812 120.400 0.008 0.000 2.113 271 K HA -0.195 4.126 4.320 0.000 0.000 0.208 271 K C 2.042 178.655 176.600 0.021 0.000 1.047 271 K CA 1.295 57.592 56.287 0.017 0.000 0.928 271 K CB -0.203 32.306 32.500 0.015 0.000 0.716 271 K HN 0.174 nan 8.250 nan 0.000 0.446 272 A N 1.158 123.987 122.820 0.015 0.000 1.969 272 A HA -0.182 4.139 4.320 0.000 0.000 0.218 272 A C 1.888 179.482 177.584 0.016 0.000 1.169 272 A CA 1.301 53.346 52.037 0.014 0.000 0.635 272 A CB -0.280 18.725 19.000 0.010 0.000 0.810 272 A HN 0.290 nan 8.150 nan 0.000 0.445 273 E N -0.333 119.877 120.200 0.016 0.000 2.077 273 E HA -0.138 4.213 4.350 0.000 0.000 0.193 273 E C 1.988 178.620 176.600 0.054 0.000 0.989 273 E CA 1.365 57.777 56.400 0.020 0.000 0.800 273 E CB -0.201 29.499 29.700 0.001 0.000 0.746 273 E HN 0.407 nan 8.360 nan 0.000 0.452 274 V N 0.659 120.611 119.914 0.064 0.000 2.287 274 V HA -0.260 3.860 4.120 0.000 0.000 0.248 274 V C 2.353 178.531 176.094 0.140 0.000 1.053 274 V CA 1.406 63.790 62.300 0.139 0.000 1.027 274 V CB -0.471 31.415 31.823 0.105 0.000 0.646 274 V HN 0.149 nan 8.190 nan 0.000 0.447 275 V N 0.005 119.955 119.914 0.060 0.000 2.287 275 V HA -0.248 3.873 4.120 0.000 0.000 0.248 275 V C 2.619 178.698 176.094 -0.024 0.000 1.053 275 V CA 2.071 64.381 62.300 0.018 0.000 1.027 275 V CB -0.716 31.112 31.823 0.009 0.000 0.646 275 V HN 0.573 nan 8.190 nan 0.000 0.447 276 E N -0.408 119.773 120.200 -0.031 0.000 2.110 276 E HA -0.228 4.122 4.350 0.000 0.000 0.193 276 E C 2.013 178.464 176.600 -0.249 0.000 0.988 276 E CA 1.353 57.677 56.400 -0.127 0.000 0.804 276 E CB -0.460 29.190 29.700 -0.084 0.000 0.745 276 E HN 0.649 nan 8.360 nan 0.000 0.458 277 F N 1.705 121.527 119.950 -0.213 0.000 2.102 277 F HA -0.131 4.396 4.527 0.000 0.000 0.298 277 F C 2.101 177.832 175.800 -0.115 0.000 1.105 277 F CA 1.149 59.052 58.000 -0.163 0.000 1.239 277 F CB -0.461 38.516 39.000 -0.038 0.000 0.991 277 F HN -0.100 nan 8.300 nan 0.000 0.474 278 L N -0.555 120.482 121.223 -0.311 0.000 2.191 278 L HA -0.250 4.090 4.340 0.000 0.000 0.212 278 L C 2.166 178.883 176.870 -0.254 0.000 1.103 278 L CA 0.979 55.598 54.840 -0.369 0.000 0.769 278 L CB -0.963 41.010 42.059 -0.143 0.000 0.908 278 L HN 0.242 nan 8.230 nan 0.000 0.438 279 C N -1.480 117.698 119.300 -0.203 0.000 2.576 279 C HA 0.048 4.508 4.460 0.000 0.000 0.267 279 C C 1.165 176.143 174.990 -0.020 0.000 1.364 279 C CA -0.510 58.445 59.018 -0.105 0.000 1.723 279 C CB -1.913 25.773 27.740 -0.089 0.000 1.778 279 C HN 0.318 nan 8.230 nan 0.000 0.572 280 H N 0.747 119.753 119.070 -0.107 0.000 2.502 280 H HA 0.134 4.690 4.556 0.000 0.000 0.327 280 H C -1.538 173.735 175.328 -0.092 0.000 1.099 280 H CA -1.714 54.290 56.048 -0.072 0.000 1.323 280 H CB 1.270 31.001 29.762 -0.051 0.000 1.450 280 H HN -0.075 nan 8.280 nan 0.000 0.502 281 P HA -0.199 nan 4.420 nan 0.000 0.215 281 P C 0.868 178.172 177.300 0.007 0.000 1.157 281 P CA 1.312 64.426 63.100 0.023 0.000 0.874 281 P CB 0.300 32.011 31.700 0.019 0.000 0.790 282 E N -0.608 119.607 120.200 0.026 0.000 2.331 282 E HA -0.127 4.223 4.350 0.000 0.000 0.199 282 E C 1.981 178.618 176.600 0.063 0.000 1.008 282 E CA 1.182 57.612 56.400 0.051 0.000 0.843 282 E CB -0.945 28.794 29.700 0.066 0.000 0.761 282 E HN 0.199 nan 8.360 nan 0.000 0.507 283 A N 1.013 123.793 122.820 -0.067 0.000 1.933 283 A HA -0.079 4.242 4.320 0.000 0.000 0.218 283 A C 2.362 179.871 177.584 -0.125 0.000 1.175 283 A CA 1.612 53.433 52.037 -0.360 0.000 0.628 283 A CB -0.741 17.668 19.000 -0.984 0.000 0.814 283 A HN 0.316 nan 8.150 nan 0.000 0.444 284 A N -0.525 122.252 122.820 -0.070 0.000 1.865 284 A HA -0.122 4.198 4.320 0.000 0.000 0.217 284 A C 2.333 179.954 177.584 0.062 0.000 1.191 284 A CA 2.450 54.487 52.037 0.000 0.000 0.623 284 A CB -1.455 17.541 19.000 -0.007 0.000 0.826 284 A HN 0.462 nan 8.150 nan 0.000 0.444 285 T N 0.608 115.194 114.554 0.054 0.000 2.684 285 T HA -0.090 4.260 4.350 0.000 0.000 0.267 285 T C 2.185 176.954 174.700 0.115 0.000 1.036 285 T CA 1.839 63.973 62.100 0.056 0.000 1.148 285 T CB -0.604 68.290 68.868 0.043 0.000 0.863 285 T HN 0.625 nan 8.240 nan 0.000 0.436 286 A N 1.016 123.941 122.820 0.175 0.000 1.902 286 A HA 0.006 4.326 4.320 0.000 0.000 0.217 286 A C 2.315 180.033 177.584 0.223 0.000 1.181 286 A CA 1.233 53.410 52.037 0.233 0.000 0.623 286 A CB -0.746 18.437 19.000 0.305 0.000 0.818 286 A HN 0.551 nan 8.150 nan 0.000 0.443 287 I N -1.241 119.464 120.570 0.225 0.000 2.500 287 I HA -0.212 3.958 4.170 0.000 0.000 0.252 287 I C 2.256 178.573 176.117 0.333 0.000 1.142 287 I CA 0.653 62.107 61.300 0.257 0.000 1.451 287 I CB -0.242 37.908 38.000 0.250 0.000 1.093 287 I HN 0.361 nan 8.210 nan 0.000 0.430 288 C N 0.211 119.668 119.300 0.262 0.000 2.505 288 C HA -0.063 4.397 4.460 0.000 0.000 0.279 288 C C 3.259 178.370 174.990 0.201 0.000 1.316 288 C CA 1.042 60.225 59.018 0.275 0.000 1.720 288 C CB -0.771 27.104 27.740 0.224 0.000 2.050 288 C HN 0.604 nan 8.230 nan 0.000 0.493 289 S N 2.114 117.879 115.700 0.109 0.000 2.399 289 S HA -0.111 4.360 4.470 0.000 0.000 0.231 289 S C 1.952 176.803 174.600 0.418 0.000 1.022 289 S CA 1.399 59.660 58.200 0.102 0.000 0.983 289 S CB -0.567 62.701 63.200 0.113 0.000 0.803 289 S HN 0.598 nan 8.310 nan 0.000 0.480 290 A N 0.732 123.768 122.820 0.360 0.000 2.024 290 A HA 0.117 4.438 4.320 0.000 0.000 0.220 290 A C 1.739 179.392 177.584 0.115 0.000 1.164 290 A CA 1.186 53.370 52.037 0.244 0.000 0.643 290 A CB -0.914 18.056 19.000 -0.050 0.000 0.806 290 A HN 0.572 nan 8.150 nan 0.000 0.451 291 F N -2.420 117.680 119.950 0.250 0.000 2.743 291 F HA 0.141 4.668 4.527 0.000 0.000 0.297 291 F C 0.713 176.628 175.800 0.192 0.000 1.131 291 F CA -0.421 57.696 58.000 0.195 0.000 1.426 291 F CB -0.279 38.807 39.000 0.144 0.000 1.116 291 F HN 0.270 nan 8.300 nan 0.000 0.583 292 Y N 3.172 123.542 120.300 0.117 0.000 2.839 292 Y HA -0.161 4.389 4.550 0.000 0.000 0.381 292 Y C 1.494 177.301 175.900 -0.156 0.000 1.362 292 Y CA -0.348 57.673 58.100 -0.132 0.000 1.750 292 Y CB -0.428 37.744 38.460 -0.479 0.000 1.227 292 Y HN 0.303 nan 8.280 nan 0.000 0.504 293 Q N 2.310 122.084 119.800 -0.043 0.000 2.369 293 Q HA -0.099 4.242 4.340 0.000 0.000 0.206 293 Q C 1.793 177.585 176.000 -0.348 0.000 0.963 293 Q CA 1.251 56.987 55.803 -0.112 0.000 0.894 293 Q CB 0.123 28.861 28.738 -0.001 0.000 0.965 293 Q HN 0.613 nan 8.270 nan 0.000 0.475 294 S N 0.229 115.415 115.700 -0.856 0.000 2.561 294 S HA -0.008 4.462 4.470 0.000 0.000 0.225 294 S C 1.010 175.251 174.600 -0.598 0.000 0.977 294 S CA 0.141 57.891 58.200 -0.750 0.000 0.926 294 S CB -0.078 62.625 63.200 -0.828 0.000 0.769 294 S HN 0.290 nan 8.310 nan 0.000 0.533 295 F N 2.993 122.593 119.950 -0.584 0.000 2.236 295 F HA -0.072 4.455 4.527 0.000 0.000 0.302 295 F C 1.932 177.580 175.800 -0.253 0.000 1.073 295 F CA 0.280 58.106 58.000 -0.290 0.000 1.336 295 F CB -0.835 38.157 39.000 -0.013 0.000 1.040 295 F HN 0.312 nan 8.300 nan 0.000 0.507 296 N N 0.044 118.727 118.700 -0.027 0.000 2.571 296 N HA -0.061 4.679 4.740 0.000 0.000 0.189 296 N C 1.972 177.418 175.510 -0.107 0.000 1.154 296 N CA 0.314 53.340 53.050 -0.040 0.000 0.907 296 N CB 0.232 38.711 38.487 -0.015 0.000 0.977 296 N HN 0.166 nan 8.380 nan 0.000 0.449 297 V N 2.178 121.975 119.914 -0.196 0.000 2.237 297 V HA -0.154 3.966 4.120 0.000 0.000 0.245 297 V C -0.564 175.434 176.094 -0.160 0.000 1.046 297 V CA 1.827 64.013 62.300 -0.190 0.000 1.007 297 V CB -1.300 30.384 31.823 -0.231 0.000 0.638 297 V HN 0.164 nan 8.190 nan 0.000 0.445 298 P HA -0.195 nan 4.420 nan 0.000 0.215 298 P C 1.649 178.920 177.300 -0.048 0.000 1.157 298 P CA 2.254 65.275 63.100 -0.131 0.000 0.874 298 P CB -0.181 31.410 31.700 -0.182 0.000 0.790 299 A N -0.764 122.034 122.820 -0.037 0.000 1.898 299 A HA -0.151 4.169 4.320 0.000 0.000 0.216 299 A C 2.230 179.821 177.584 0.013 0.000 1.181 299 A CA 1.398 53.439 52.037 0.006 0.000 0.620 299 A CB -1.650 17.363 19.000 0.023 0.000 0.819 299 A HN 0.107 nan 8.150 nan 0.000 0.442 300 L N -0.432 120.789 121.223 -0.003 0.000 2.083 300 L HA -0.159 4.181 4.340 0.000 0.000 0.209 300 L C 2.698 179.596 176.870 0.046 0.000 1.083 300 L CA 1.674 56.528 54.840 0.023 0.000 0.752 300 L CB -0.972 41.084 42.059 -0.006 0.000 0.899 300 L HN 0.374 nan 8.230 nan 0.000 0.433 301 T N 0.148 114.703 114.554 0.002 0.000 2.788 301 T HA -0.159 4.191 4.350 0.000 0.000 0.268 301 T C 1.870 176.615 174.700 0.076 0.000 1.044 301 T CA 1.157 63.266 62.100 0.016 0.000 1.139 301 T CB -0.163 68.694 68.868 -0.019 0.000 0.867 301 T HN 0.238 nan 8.240 nan 0.000 0.454 302 L N 1.142 122.399 121.223 0.057 0.000 2.492 302 L HA 0.068 4.408 4.340 0.000 0.000 0.223 302 L C 2.058 178.965 176.870 0.062 0.000 1.132 302 L CA 0.966 55.840 54.840 0.058 0.000 0.850 302 L CB -0.229 41.855 42.059 0.042 0.000 0.966 302 L HN 0.417 nan 8.230 nan 0.000 0.454 303 T N -6.121 108.478 114.554 0.075 0.000 3.058 303 T HA 0.006 4.357 4.350 0.000 0.000 0.278 303 T C 1.614 176.347 174.700 0.055 0.000 0.974 303 T CA -0.268 61.864 62.100 0.053 0.000 0.893 303 T CB -0.259 68.636 68.868 0.044 0.000 1.138 303 T HN 0.323 nan 8.240 nan 0.000 0.529 304 H N 1.620 120.693 119.070 0.005 0.000 2.489 304 H HA 0.044 4.600 4.556 0.000 0.000 0.293 304 H C 1.304 176.639 175.328 0.010 0.000 1.066 304 H CA 1.509 57.560 56.048 0.005 0.000 1.305 304 H CB 0.024 29.785 29.762 -0.001 0.000 1.386 304 H HN 0.379 nan 8.280 nan 0.000 0.551 305 E N 1.099 120.998 120.200 -0.501 0.000 2.017 305 E HA -0.068 4.282 4.350 0.000 0.000 0.193 305 E C 2.592 179.098 176.600 -0.157 0.000 0.997 305 E CA 1.138 57.307 56.400 -0.385 0.000 0.804 305 E CB -0.022 29.521 29.700 -0.261 0.000 0.757 305 E HN 0.410 nan 8.360 nan 0.000 0.448 306 R N 0.028 120.476 120.500 -0.086 0.000 2.189 306 R HA -0.018 4.323 4.340 0.000 0.000 0.223 306 R C 2.095 178.387 176.300 -0.013 0.000 1.092 306 R CA 0.735 56.815 56.100 -0.033 0.000 0.989 306 R CB -0.151 30.146 30.300 -0.003 0.000 0.876 306 R HN 0.258 nan 8.270 nan 0.000 0.457 307 I N -0.307 120.258 120.570 -0.009 0.000 2.617 307 I HA -0.172 3.998 4.170 0.000 0.000 0.256 307 I C 1.870 178.003 176.117 0.026 0.000 1.167 307 I CA 0.832 62.145 61.300 0.021 0.000 1.469 307 I CB 0.019 38.048 38.000 0.048 0.000 1.098 307 I HN 0.064 nan 8.210 nan 0.000 0.436 308 S N 0.797 116.501 115.700 0.006 0.000 2.336 308 S HA -0.091 4.379 4.470 0.000 0.000 0.216 308 S C 1.779 176.393 174.600 0.024 0.000 1.032 308 S CA 0.938 59.150 58.200 0.019 0.000 0.973 308 S CB -0.109 63.090 63.200 -0.003 0.000 0.888 308 S HN 0.312 nan 8.310 nan 0.000 0.455 309 K N 1.348 121.750 120.400 0.004 0.000 2.520 309 K HA -0.079 4.242 4.320 0.000 0.000 0.198 309 K C 1.721 178.349 176.600 0.046 0.000 1.045 309 K CA 0.873 57.174 56.287 0.023 0.000 0.934 309 K CB -0.188 32.312 32.500 -0.000 0.000 0.766 309 K HN 0.345 nan 8.250 nan 0.000 0.483 310 A N 0.713 123.557 122.820 0.040 0.000 1.973 310 A HA -0.022 4.298 4.320 0.000 0.000 0.210 310 A C 1.873 179.513 177.584 0.092 0.000 1.200 310 A CA 0.710 52.775 52.037 0.048 0.000 0.707 310 A CB 0.131 19.146 19.000 0.025 0.000 0.862 310 A HN 0.257 nan 8.150 nan 0.000 0.461 311 S N -0.255 115.491 115.700 0.077 0.000 2.634 311 S HA 0.182 4.653 4.470 0.000 0.000 0.221 311 S C 0.881 175.528 174.600 0.078 0.000 0.952 311 S CA 0.424 58.671 58.200 0.077 0.000 0.930 311 S CB 0.120 63.356 63.200 0.060 0.000 0.780 311 S HN 0.630 nan 8.310 nan 0.000 0.498 312 E N 0.436 120.692 120.200 0.093 0.000 2.132 312 E HA 0.079 4.429 4.350 0.000 0.000 0.193 312 E C 1.249 177.914 176.600 0.108 0.000 0.951 312 E CA 0.236 56.686 56.400 0.082 0.000 0.843 312 E CB -0.329 29.414 29.700 0.072 0.000 0.807 312 E HN 0.591 nan 8.360 nan 0.000 0.467 313 Y N 1.713 122.022 120.300 0.015 0.000 2.556 313 Y HA -0.163 4.387 4.550 0.000 0.000 0.290 313 Y C 1.506 177.416 175.900 0.017 0.000 1.149 313 Y CA 0.976 59.085 58.100 0.015 0.000 1.329 313 Y CB 0.183 38.653 38.460 0.018 0.000 0.975 313 Y HN -0.017 nan 8.280 nan 0.000 0.561 314 N N -0.518 118.290 118.700 0.181 0.000 2.325 314 N HA 0.107 4.848 4.740 0.000 0.000 0.182 314 N C 1.606 177.142 175.510 0.043 0.000 1.088 314 N CA 0.815 53.934 53.050 0.115 0.000 0.879 314 N CB 0.094 38.654 38.487 0.123 0.000 0.983 314 N HN 0.422 nan 8.380 nan 0.000 0.471 315 A N 0.755 123.594 122.820 0.031 0.000 2.016 315 A HA -0.013 4.308 4.320 0.000 0.000 0.217 315 A C 1.626 179.199 177.584 -0.018 0.000 1.162 315 A CA 0.803 52.847 52.037 0.011 0.000 0.662 315 A CB -0.214 18.796 19.000 0.017 0.000 0.812 315 A HN 0.255 nan 8.150 nan 0.000 0.450 316 E N -0.391 119.777 120.200 -0.054 0.000 2.516 316 E HA -0.017 4.333 4.350 0.000 0.000 0.199 316 E C 0.658 177.208 176.600 -0.083 0.000 1.069 316 E CA 0.239 56.588 56.400 -0.086 0.000 0.876 316 E CB -0.004 29.604 29.700 -0.154 0.000 0.843 316 E HN 0.421 nan 8.360 nan 0.000 0.530 317 R N 0.097 120.563 120.500 -0.058 0.000 2.748 317 R HA 0.185 4.525 4.340 0.000 0.000 0.395 317 R C -0.145 176.145 176.300 -0.016 0.000 1.128 317 R CA -0.100 55.978 56.100 -0.038 0.000 1.042 317 R CB 0.611 30.892 30.300 -0.032 0.000 1.392 317 R HN -0.068 nan 8.270 nan 0.000 0.582 318 S N 1.029 116.721 115.700 -0.014 0.000 3.350 318 S HA -0.174 4.296 4.470 0.000 0.000 0.386 318 S C 0.278 174.881 174.600 0.005 0.000 0.994 318 S CA 0.606 58.804 58.200 -0.004 0.000 1.164 318 S CB -0.848 62.350 63.200 -0.003 0.000 0.898 318 S HN 0.436 nan 8.310 nan 0.000 0.468 319 L N 1.695 122.923 121.223 0.009 0.000 2.295 319 L HA 0.194 4.534 4.340 0.000 0.000 0.288 319 L C 1.044 177.928 176.870 0.024 0.000 1.079 319 L CA -0.032 54.819 54.840 0.019 0.000 0.830 319 L CB 0.629 42.704 42.059 0.027 0.000 1.200 319 L HN 0.175 nan 8.230 nan 0.000 0.438 320 D N 2.584 122.997 120.400 0.023 0.000 3.038 320 D HA -0.018 4.622 4.640 0.000 0.000 0.243 320 D C 0.441 176.759 176.300 0.029 0.000 1.245 320 D CA -0.007 54.008 54.000 0.025 0.000 0.871 320 D CB 0.377 41.189 40.800 0.020 0.000 1.089 320 D HN 0.388 nan 8.370 nan 0.000 0.464 321 T N 0.933 115.508 114.554 0.035 0.000 2.918 321 T HA 0.273 4.623 4.350 0.000 0.000 0.302 321 T C -2.215 172.510 174.700 0.041 0.000 1.045 321 T CA -1.133 60.991 62.100 0.039 0.000 1.114 321 T CB 1.183 70.079 68.868 0.046 0.000 0.965 321 T HN 0.115 nan 8.240 nan 0.000 0.540 322 P HA 0.402 nan 4.420 nan 0.000 0.276 322 P C 0.225 177.553 177.300 0.048 0.000 1.244 322 P CA -0.533 62.593 63.100 0.044 0.000 0.801 322 P CB 0.620 32.347 31.700 0.045 0.000 1.006 323 N N -0.156 118.573 118.700 0.049 0.000 2.414 323 N HA 0.207 4.947 4.740 0.000 0.000 0.177 323 N C -0.438 175.102 175.510 0.050 0.000 1.062 323 N CA 0.248 53.327 53.050 0.049 0.000 0.890 323 N CB 0.318 38.834 38.487 0.048 0.000 1.070 323 N HN 0.493 nan 8.380 nan 0.000 0.454 324 A N -0.764 122.089 122.820 0.055 0.000 2.520 324 A HA 0.640 4.960 4.320 0.000 0.000 0.298 324 A C -0.605 177.022 177.584 0.071 0.000 1.051 324 A CA -0.704 51.370 52.037 0.061 0.000 0.690 324 A CB 0.600 19.638 19.000 0.063 0.000 1.281 324 A HN 0.221 nan 8.150 nan 0.000 0.402 325 C N 0.452 119.798 119.300 0.077 0.000 2.656 325 C HA 0.868 5.328 4.460 0.000 0.000 0.404 325 C C -0.089 174.966 174.990 0.109 0.000 1.423 325 C CA -0.696 58.375 59.018 0.089 0.000 1.784 325 C CB 0.551 28.339 27.740 0.079 0.000 2.093 325 C HN 0.715 nan 8.230 nan 0.000 0.492 326 I N 1.657 122.300 120.570 0.123 0.000 2.569 326 I HA 0.363 4.533 4.170 0.000 0.000 0.290 326 I C -1.025 175.160 176.117 0.113 0.000 1.088 326 I CA -0.081 61.299 61.300 0.133 0.000 1.047 326 I CB 1.538 39.650 38.000 0.187 0.000 1.237 326 I HN 0.601 nan 8.210 nan 0.000 0.421 327 N N 7.029 125.798 118.700 0.115 0.000 2.448 327 N HA 0.605 5.345 4.740 0.000 0.000 0.279 327 N C -1.526 174.081 175.510 0.160 0.000 1.025 327 N CA -0.277 52.841 53.050 0.112 0.000 0.898 327 N CB 2.021 40.544 38.487 0.060 0.000 1.303 327 N HN 0.505 nan 8.380 nan 0.000 0.495 328 I N 1.042 121.648 120.570 0.061 0.000 2.569 328 I HA 0.371 4.541 4.170 0.000 0.000 0.296 328 I C -0.215 175.911 176.117 0.015 0.000 1.028 328 I CA -0.513 60.784 61.300 -0.005 0.000 1.082 328 I CB 2.093 39.983 38.000 -0.183 0.000 1.264 328 I HN 0.268 nan 8.210 nan 0.000 0.429 329 S N 6.011 121.709 115.700 -0.003 0.000 2.557 329 S HA 0.671 5.141 4.470 0.000 0.000 0.291 329 S C -0.709 173.847 174.600 -0.074 0.000 1.116 329 S CA -0.467 57.724 58.200 -0.015 0.000 0.992 329 S CB 1.499 64.719 63.200 0.033 0.000 1.028 329 S HN 0.324 nan 8.310 nan 0.000 0.484 330 I N 2.451 122.966 120.570 -0.092 0.000 2.478 330 I HA 0.403 4.573 4.170 0.000 0.000 0.287 330 I C -0.566 175.409 176.117 -0.237 0.000 1.042 330 I CA -0.346 60.860 61.300 -0.156 0.000 1.067 330 I CB 2.109 40.030 38.000 -0.132 0.000 1.233 330 I HN 0.453 nan 8.210 nan 0.000 0.431 331 S N 5.253 120.846 115.700 -0.178 0.000 2.513 331 S HA 0.450 4.920 4.470 0.000 0.000 0.299 331 S C -0.777 173.708 174.600 -0.192 0.000 1.087 331 S CA -0.677 57.415 58.200 -0.180 0.000 1.012 331 S CB 2.268 65.432 63.200 -0.059 0.000 1.044 331 S HN 0.590 nan 8.310 nan 0.000 0.485 332 Q N 2.138 121.798 119.800 -0.235 0.000 2.333 332 Q HA 0.446 4.787 4.340 0.000 0.000 0.265 332 Q C -0.377 175.591 176.000 -0.053 0.000 0.989 332 Q CA -0.541 55.193 55.803 -0.114 0.000 0.842 332 Q CB 1.132 29.825 28.738 -0.075 0.000 1.262 332 Q HN 0.809 nan 8.270 nan 0.000 0.451 333 S N 1.778 117.456 115.700 -0.038 0.000 2.585 333 S HA 0.044 4.514 4.470 0.000 0.000 0.273 333 S C 1.110 175.696 174.600 -0.023 0.000 1.339 333 S CA 0.097 58.278 58.200 -0.033 0.000 1.028 333 S CB 1.378 64.549 63.200 -0.048 0.000 0.906 333 S HN 0.772 nan 8.310 nan 0.000 0.528 334 S N 0.513 116.205 115.700 -0.013 0.000 2.537 334 S HA -0.094 4.376 4.470 0.000 0.000 0.240 334 S C 0.629 175.226 174.600 -0.004 0.000 0.981 334 S CA 0.898 59.097 58.200 -0.002 0.000 0.948 334 S CB -0.471 62.728 63.200 -0.001 0.000 0.759 334 S HN 0.765 nan 8.310 nan 0.000 0.531 335 D N 0.676 121.060 120.400 -0.026 0.000 2.350 335 D HA 0.292 4.932 4.640 0.000 0.000 0.213 335 D C 1.579 177.847 176.300 -0.055 0.000 1.031 335 D CA 0.924 54.900 54.000 -0.041 0.000 0.861 335 D CB 0.467 41.231 40.800 -0.061 0.000 0.926 335 D HN 0.599 nan 8.370 nan 0.000 0.520 336 G N 0.531 109.305 108.800 -0.043 0.000 2.316 336 G HA2 -0.224 3.736 3.960 0.000 0.000 0.203 336 G HA3 -0.224 3.736 3.960 0.000 0.000 0.203 336 G C 0.240 175.101 174.900 -0.066 0.000 0.999 336 G CA -0.580 44.506 45.100 -0.024 0.000 0.649 336 G HN 0.181 nan 8.290 nan 0.000 0.489 337 N N 1.443 120.024 118.700 -0.197 0.000 2.429 337 N HA 0.208 4.948 4.740 0.000 0.000 0.271 337 N C 0.135 175.587 175.510 -0.096 0.000 1.272 337 N CA 0.593 53.445 53.050 -0.329 0.000 0.921 337 N CB 0.687 38.569 38.487 -1.007 0.000 1.128 337 N HN 0.411 nan 8.380 nan 0.000 0.481 338 I N 3.191 123.774 120.570 0.022 0.000 2.337 338 I HA 0.089 4.260 4.170 0.000 0.000 0.291 338 I C -0.335 175.891 176.117 0.183 0.000 1.046 338 I CA -0.352 61.013 61.300 0.107 0.000 1.324 338 I CB 0.214 38.327 38.000 0.189 0.000 1.409 338 I HN 0.375 nan 8.210 nan 0.000 0.494 339 Y N 6.253 126.553 120.300 -0.001 0.000 2.425 339 Y HA 0.622 5.172 4.550 0.000 0.000 0.344 339 Y C -0.806 175.002 175.900 -0.154 0.000 0.969 339 Y CA -0.672 57.419 58.100 -0.014 0.000 1.052 339 Y CB 1.655 40.156 38.460 0.068 0.000 1.215 339 Y HN 0.188 nan 8.280 nan 0.000 0.451 340 V N 4.071 123.505 119.914 -0.799 0.000 2.680 340 V HA 0.602 4.722 4.120 0.000 0.000 0.309 340 V C -0.916 174.705 176.094 -0.788 0.000 1.052 340 V CA -0.701 61.168 62.300 -0.719 0.000 0.908 340 V CB 2.173 33.422 31.823 -0.957 0.000 1.001 340 V HN 0.844 nan 8.190 nan 0.000 0.431 341 T N 2.027 116.315 114.554 -0.442 0.000 2.985 341 T HA 0.357 4.707 4.350 0.000 0.000 0.315 341 T C -0.490 173.968 174.700 -0.402 0.000 1.001 341 T CA -0.413 61.455 62.100 -0.386 0.000 1.016 341 T CB 1.309 70.088 68.868 -0.148 0.000 0.993 341 T HN 0.589 nan 8.240 nan 0.000 0.454 342 S N 2.726 118.152 115.700 -0.458 0.000 2.454 342 S HA 0.590 5.060 4.470 0.000 0.000 0.306 342 S C -1.004 173.312 174.600 -0.472 0.000 1.100 342 S CA -0.673 57.330 58.200 -0.328 0.000 1.087 342 S CB 0.238 63.386 63.200 -0.087 0.000 1.019 342 S HN 0.706 nan 8.310 nan 0.000 0.480 343 H N 1.610 120.671 119.070 -0.016 0.000 2.469 343 H HA 0.514 5.071 4.556 0.000 0.000 0.342 343 H C -0.356 174.993 175.328 0.034 0.000 1.115 343 H CA -0.576 55.478 56.048 0.011 0.000 1.204 343 H CB 1.699 31.461 29.762 0.000 0.000 1.492 343 H HN 0.391 nan 8.280 nan 0.000 0.499 344 T N 2.340 116.984 114.554 0.150 0.000 2.786 344 T HA 0.473 4.823 4.350 0.000 0.000 0.283 344 T C 0.538 175.301 174.700 0.105 0.000 0.992 344 T CA -0.851 61.321 62.100 0.121 0.000 0.954 344 T CB 0.917 69.846 68.868 0.102 0.000 0.934 344 T HN 0.825 nan 8.240 nan 0.000 0.440 345 G N 1.692 110.546 108.800 0.091 0.000 2.377 345 G HA2 0.599 4.559 3.960 0.000 0.000 0.299 345 G HA3 0.599 4.559 3.960 0.000 0.000 0.299 345 G C -1.029 173.904 174.900 0.055 0.000 1.150 345 G CA -0.395 44.745 45.100 0.067 0.000 0.847 345 G HN 0.660 nan 8.290 nan 0.000 0.501 346 V N 3.140 123.076 119.914 0.038 0.000 2.711 346 V HA 0.281 4.401 4.120 0.000 0.000 0.304 346 V C 0.171 176.276 176.094 0.018 0.000 1.097 346 V CA -0.752 61.569 62.300 0.034 0.000 0.906 346 V CB 1.672 33.516 31.823 0.036 0.000 1.015 346 V HN 0.696 nan 8.190 nan 0.000 0.427 347 L N 4.997 126.234 121.223 0.024 0.000 2.483 347 L HA 0.477 4.817 4.340 0.000 0.000 0.276 347 L C -0.193 176.684 176.870 0.011 0.000 1.213 347 L CA 0.431 55.281 54.840 0.015 0.000 0.843 347 L CB 0.644 42.720 42.059 0.029 0.000 1.107 347 L HN 0.583 nan 8.230 nan 0.000 0.487 348 I N 1.549 122.119 120.570 0.001 0.000 2.882 348 I HA 0.259 4.429 4.170 0.000 0.000 0.298 348 I C -1.099 175.031 176.117 0.022 0.000 1.462 348 I CA -0.692 60.614 61.300 0.009 0.000 1.000 348 I CB 2.211 40.213 38.000 0.004 0.000 1.340 348 I HN 0.454 nan 8.210 nan 0.000 0.462 349 M N 4.287 123.900 119.600 0.022 0.000 2.277 349 M HA 0.478 4.958 4.480 0.000 0.000 0.350 349 M C 0.312 176.664 176.300 0.086 0.000 1.180 349 M CA -0.364 54.940 55.300 0.006 0.000 1.103 349 M CB 1.137 33.710 32.600 -0.044 0.000 1.577 349 M HN 0.654 nan 8.290 nan 0.000 0.459 350 A N 4.579 127.448 122.820 0.083 0.000 2.448 350 A HA 0.438 4.758 4.320 0.000 0.000 0.239 350 A C -2.093 175.462 177.584 -0.048 0.000 1.080 350 A CA -0.709 51.333 52.037 0.007 0.000 0.779 350 A CB -1.068 17.830 19.000 -0.170 0.000 1.026 350 A HN 0.531 nan 8.150 nan 0.000 0.499 351 P HA -0.015 nan 4.420 nan 0.000 0.272 351 P C 0.651 177.911 177.300 -0.067 0.000 1.243 351 P CA 0.032 63.092 63.100 -0.068 0.000 0.803 351 P CB 0.321 31.963 31.700 -0.096 0.000 0.974 352 E N 0.452 120.622 120.200 -0.051 0.000 2.077 352 E HA -0.218 4.132 4.350 0.000 0.000 0.193 352 E C 1.400 177.969 176.600 -0.051 0.000 0.989 352 E CA 1.478 57.852 56.400 -0.043 0.000 0.800 352 E CB -0.397 29.284 29.700 -0.033 0.000 0.746 352 E HN 0.624 nan 8.360 nan 0.000 0.452 353 D N 0.743 121.106 120.400 -0.062 0.000 2.354 353 D HA -0.186 4.454 4.640 0.000 0.000 0.216 353 D C 0.272 176.527 176.300 -0.075 0.000 0.970 353 D CA 0.799 54.760 54.000 -0.065 0.000 0.905 353 D CB -0.092 40.666 40.800 -0.071 0.000 0.903 353 D HN 0.074 nan 8.370 nan 0.000 0.508 354 R N 0.772 121.218 120.500 -0.091 0.000 2.547 354 R HA 0.398 4.738 4.340 0.000 0.000 0.280 354 R C -2.663 173.587 176.300 -0.084 0.000 1.630 354 R CA -1.501 54.540 56.100 -0.099 0.000 1.470 354 R CB 1.732 31.939 30.300 -0.155 0.000 1.178 354 R HN 0.075 nan 8.270 nan 0.000 0.591 355 P HA 0.171 nan 4.420 nan 0.000 0.274 355 P C 0.048 177.319 177.300 -0.048 0.000 1.256 355 P CA -0.289 62.785 63.100 -0.043 0.000 0.795 355 P CB 0.594 32.284 31.700 -0.016 0.000 1.038 356 N N -2.435 116.232 118.700 -0.054 0.000 2.884 356 N HA -0.171 4.569 4.740 0.000 0.000 0.210 356 N C -0.353 175.073 175.510 -0.140 0.000 0.941 356 N CA 1.534 54.548 53.050 -0.060 0.000 1.131 356 N CB -1.289 37.208 38.487 0.017 0.000 0.965 356 N HN 0.610 nan 8.380 nan 0.000 0.591 357 E N 0.436 120.571 120.200 -0.108 0.000 2.349 357 E HA 0.435 4.785 4.350 0.000 0.000 0.262 357 E C 0.444 176.993 176.600 -0.085 0.000 1.088 357 E CA -0.098 56.258 56.400 -0.073 0.000 0.899 357 E CB 1.413 31.090 29.700 -0.038 0.000 1.044 357 E HN 0.315 nan 8.360 nan 0.000 0.420 358 M N 0.710 120.299 119.600 -0.018 0.000 2.501 358 M HA 0.605 5.085 4.480 0.000 0.000 0.293 358 M C -1.022 175.340 176.300 0.102 0.000 1.192 358 M CA -0.304 55.000 55.300 0.005 0.000 0.886 358 M CB 2.131 34.682 32.600 -0.082 0.000 1.710 358 M HN 0.633 nan 8.290 nan 0.000 0.457 359 G N 2.602 111.441 108.800 0.065 0.000 2.975 359 G HA2 0.682 4.643 3.960 0.000 0.000 0.291 359 G HA3 0.682 4.643 3.960 0.000 0.000 0.291 359 G C -2.075 172.741 174.900 -0.140 0.000 1.334 359 G CA -0.876 44.163 45.100 -0.102 0.000 0.843 359 G HN 0.770 nan 8.290 nan 0.000 0.548 360 M N 0.502 119.974 119.600 -0.213 0.000 2.393 360 M HA 0.720 5.201 4.480 0.000 0.000 0.316 360 M C -1.651 174.569 176.300 -0.134 0.000 1.087 360 M CA -0.897 54.337 55.300 -0.110 0.000 0.937 360 M CB 2.125 34.704 32.600 -0.035 0.000 1.668 360 M HN 0.484 nan 8.290 nan 0.000 0.438 361 L N 3.696 124.882 121.223 -0.063 0.000 2.325 361 L HA 0.668 5.008 4.340 0.000 0.000 0.279 361 L C -1.034 175.841 176.870 0.008 0.000 1.054 361 L CA 0.406 55.226 54.840 -0.033 0.000 0.804 361 L CB 2.026 44.081 42.059 -0.007 0.000 1.200 361 L HN 0.768 nan 8.230 nan 0.000 0.436 362 T N 3.475 118.046 114.554 0.028 0.000 2.841 362 T HA 0.470 4.820 4.350 0.000 0.000 0.285 362 T C -0.890 173.862 174.700 0.086 0.000 0.991 362 T CA -0.574 61.566 62.100 0.066 0.000 0.966 362 T CB 0.780 69.689 68.868 0.068 0.000 0.962 362 T HN 0.485 nan 8.240 nan 0.000 0.438 363 N N 2.683 121.446 118.700 0.104 0.000 2.511 363 N HA 0.278 5.018 4.740 0.000 0.000 0.249 363 N C -0.448 175.099 175.510 0.062 0.000 0.971 363 N CA -0.541 52.559 53.050 0.084 0.000 0.938 363 N CB 1.578 40.109 38.487 0.072 0.000 1.131 363 N HN 0.403 nan 8.380 nan 0.000 0.505 364 R N 0.949 121.469 120.500 0.033 0.000 2.265 364 R HA 0.324 4.664 4.340 0.000 0.000 0.314 364 R C -0.553 175.680 176.300 -0.112 0.000 1.053 364 R CA 0.026 56.059 56.100 -0.110 0.000 0.931 364 R CB 0.559 30.817 30.300 -0.070 0.000 1.024 364 R HN 0.301 nan 8.270 nan 0.000 0.457 365 T N 2.147 116.576 114.554 -0.208 0.000 2.770 365 T HA 0.318 4.668 4.350 0.000 0.000 0.283 365 T C -0.664 173.832 174.700 -0.340 0.000 0.988 365 T CA -0.375 61.556 62.100 -0.282 0.000 0.957 365 T CB 1.599 70.191 68.868 -0.461 0.000 0.930 365 T HN 0.391 nan 8.240 nan 0.000 0.443 366 S N 2.557 118.072 115.700 -0.307 0.000 2.536 366 S HA 0.882 5.352 4.470 0.000 0.000 0.298 366 S C -1.367 173.045 174.600 -0.314 0.000 1.083 366 S CA -0.792 57.187 58.200 -0.368 0.000 0.995 366 S CB 0.990 64.100 63.200 -0.151 0.000 1.058 366 S HN 0.777 nan 8.310 nan 0.000 0.488 367 Y N -0.782 119.096 120.300 -0.703 0.000 2.765 367 Y HA 0.507 5.057 4.550 0.000 0.000 0.350 367 Y C -1.266 174.245 175.900 -0.649 0.000 1.196 367 Y CA -1.163 56.632 58.100 -0.509 0.000 1.119 367 Y CB 0.498 38.786 38.460 -0.287 0.000 1.368 367 Y HN 0.590 nan 8.280 nan 0.000 0.463 368 E N 1.293 121.521 120.200 0.045 0.000 2.204 368 E HA 0.633 4.983 4.350 0.000 0.000 0.276 368 E C -1.556 175.202 176.600 0.263 0.000 0.974 368 E CA -1.078 55.440 56.400 0.196 0.000 0.815 368 E CB 1.899 31.878 29.700 0.465 0.000 1.119 368 E HN 0.624 nan 8.360 nan 0.000 0.393 369 V N 6.205 126.246 119.914 0.212 0.000 2.284 369 V HA 0.241 4.361 4.120 0.000 0.000 0.260 369 V C -2.141 174.040 176.094 0.144 0.000 1.084 369 V CA -1.611 60.811 62.300 0.202 0.000 0.894 369 V CB 0.258 32.201 31.823 0.201 0.000 1.119 369 V HN 0.708 nan 8.190 nan 0.000 0.484 370 P HA 0.036 nan 4.420 nan 0.000 0.269 370 P C -0.022 177.307 177.300 0.048 0.000 1.217 370 P CA -0.081 63.071 63.100 0.085 0.000 0.783 370 P CB 0.510 32.259 31.700 0.082 0.000 0.898 371 Q N 0.475 120.285 119.800 0.017 0.000 2.332 371 Q HA 0.301 4.641 4.340 0.000 0.000 0.263 371 Q C 1.135 177.133 176.000 -0.003 0.000 0.979 371 Q CA 1.221 57.017 55.803 -0.013 0.000 0.885 371 Q CB 0.146 28.861 28.738 -0.038 0.000 1.218 371 Q HN 0.829 nan 8.270 nan 0.000 0.405 372 G N 1.583 110.376 108.800 -0.011 0.000 2.339 372 G HA2 -0.255 3.706 3.960 0.000 0.000 0.209 372 G HA3 -0.255 3.706 3.960 0.000 0.000 0.209 372 G C -0.062 174.840 174.900 0.003 0.000 1.015 372 G CA -0.127 44.971 45.100 -0.004 0.000 0.635 372 G HN 0.541 nan 8.290 nan 0.000 0.499 373 V N 3.660 123.583 119.914 0.015 0.000 2.416 373 V HA 0.207 4.327 4.120 0.000 0.000 0.260 373 V C 1.073 177.173 176.094 0.009 0.000 1.018 373 V CA 0.645 62.955 62.300 0.017 0.000 1.120 373 V CB 0.119 31.962 31.823 0.033 0.000 1.081 373 V HN 0.396 nan 8.190 nan 0.000 0.474 374 K N 2.660 123.059 120.400 -0.002 0.000 2.219 374 K HA 0.176 4.497 4.320 0.000 0.000 0.258 374 K C 0.612 177.206 176.600 -0.009 0.000 1.008 374 K CA -0.510 55.772 56.287 -0.008 0.000 0.928 374 K CB 0.685 33.175 32.500 -0.017 0.000 0.983 374 K HN 0.674 nan 8.250 nan 0.000 0.484 375 C N 4.901 124.201 119.300 0.001 0.000 3.684 375 C HA 0.223 4.683 4.460 0.000 0.000 0.584 375 C C -0.227 174.801 174.990 0.063 0.000 1.130 375 C CA -0.294 58.739 59.018 0.024 0.000 1.194 375 C CB -2.297 25.484 27.740 0.068 0.000 1.457 375 C HN 0.383 nan 8.230 nan 0.000 0.647 376 I N 4.125 124.697 120.570 0.002 0.000 2.466 376 I HA 0.205 4.375 4.170 0.000 0.000 0.279 376 I C 1.240 177.331 176.117 -0.043 0.000 1.033 376 I CA -0.636 60.675 61.300 0.017 0.000 1.123 376 I CB 0.889 38.894 38.000 0.008 0.000 1.237 376 I HN 0.282 nan 8.210 nan 0.000 0.460 377 I N 4.079 124.597 120.570 -0.085 0.000 3.256 377 I HA -0.447 3.723 4.170 0.000 0.000 0.193 377 I C 2.239 178.346 176.117 -0.016 0.000 0.822 377 I CA 2.523 63.754 61.300 -0.114 0.000 1.104 377 I CB -0.564 37.388 38.000 -0.079 0.000 0.853 377 I HN 0.747 nan 8.210 nan 0.000 0.331 378 D N 0.494 120.896 120.400 0.002 0.000 2.264 378 D HA -0.231 4.410 4.640 0.000 0.000 0.208 378 D C 1.834 178.148 176.300 0.023 0.000 0.966 378 D CA 1.517 55.529 54.000 0.020 0.000 0.864 378 D CB -0.517 40.289 40.800 0.011 0.000 0.933 378 D HN 0.671 nan 8.370 nan 0.000 0.499 379 E N 0.029 120.233 120.200 0.008 0.000 2.158 379 E HA -0.062 4.288 4.350 0.000 0.000 0.191 379 E C 2.245 178.853 176.600 0.014 0.000 0.982 379 E CA 0.303 56.708 56.400 0.009 0.000 0.823 379 E CB 0.016 29.715 29.700 -0.001 0.000 0.766 379 E HN 0.203 nan 8.360 nan 0.000 0.468 380 M N -0.054 119.542 119.600 -0.006 0.000 2.288 380 M HA -0.076 4.404 4.480 0.000 0.000 0.266 380 M C 1.988 178.384 176.300 0.161 0.000 1.072 380 M CA 0.634 55.927 55.300 -0.011 0.000 1.132 380 M CB 0.383 32.823 32.600 -0.267 0.000 1.386 380 M HN 0.034 nan 8.290 nan 0.000 0.432 381 V N -0.132 119.903 119.914 0.202 0.000 3.078 381 V HA -0.138 3.982 4.120 0.000 0.000 0.265 381 V C 2.087 178.237 176.094 0.095 0.000 1.122 381 V CA 1.802 64.216 62.300 0.191 0.000 1.141 381 V CB -0.843 31.046 31.823 0.110 0.000 0.735 381 V HN 0.597 nan 8.190 nan 0.000 0.498 382 S N -1.014 114.731 115.700 0.075 0.000 2.526 382 S HA 0.360 4.830 4.470 0.000 0.000 0.220 382 S C 1.593 176.224 174.600 0.052 0.000 1.017 382 S CA 0.528 58.759 58.200 0.051 0.000 0.930 382 S CB 0.724 63.946 63.200 0.037 0.000 0.856 382 S HN 0.420 nan 8.310 nan 0.000 0.497 383 A N 1.757 124.613 122.820 0.060 0.000 1.920 383 A HA 0.540 4.860 4.320 0.000 0.000 0.209 383 A C 0.786 178.408 177.584 0.064 0.000 1.229 383 A CA 0.042 52.113 52.037 0.057 0.000 0.671 383 A CB -0.376 18.653 19.000 0.049 0.000 0.886 383 A HN 0.487 nan 8.150 nan 0.000 0.461 384 L N 0.963 122.226 121.223 0.067 0.000 2.397 384 L HA 0.257 4.597 4.340 0.000 0.000 0.271 384 L C -0.408 176.470 176.870 0.014 0.000 1.148 384 L CA -0.002 54.857 54.840 0.032 0.000 0.825 384 L CB 0.583 42.620 42.059 -0.038 0.000 1.117 384 L HN 0.422 nan 8.230 nan 0.000 0.456 385 Q N 3.417 123.216 119.800 -0.002 0.000 2.771 385 Q HA 0.355 4.695 4.340 0.000 0.000 0.247 385 Q C -2.419 173.539 176.000 -0.070 0.000 0.986 385 Q CA -1.781 54.018 55.803 -0.007 0.000 0.713 385 Q CB 1.343 30.101 28.738 0.033 0.000 1.241 385 Q HN 0.394 nan 8.270 nan 0.000 0.488 386 P HA 0.174 nan 4.420 nan 0.000 0.274 386 P C -0.717 176.256 177.300 -0.546 0.000 1.256 386 P CA -0.497 62.381 63.100 -0.370 0.000 0.795 386 P CB 0.687 32.022 31.700 -0.608 0.000 1.038 387 R N -0.173 119.933 120.500 -0.658 0.000 2.795 387 R HA 0.627 4.967 4.340 0.000 0.000 0.275 387 R C -1.464 174.379 176.300 -0.761 0.000 0.981 387 R CA -0.852 54.856 56.100 -0.653 0.000 0.917 387 R CB 1.014 31.155 30.300 -0.264 0.000 1.202 387 R HN 0.301 nan 8.270 nan 0.000 0.469 388 Y N 0.408 120.682 120.300 -0.045 0.000 2.409 388 Y HA 0.811 5.361 4.550 0.000 0.000 0.343 388 Y C -0.075 175.794 175.900 -0.050 0.000 0.973 388 Y CA -0.727 57.337 58.100 -0.059 0.000 1.064 388 Y CB 2.522 40.969 38.460 -0.022 0.000 1.207 388 Y HN 0.976 nan 8.280 nan 0.000 0.452 389 A N 1.363 124.229 122.820 0.077 0.000 2.594 389 A HA 1.013 5.333 4.320 0.000 0.000 0.291 389 A C -1.532 176.077 177.584 0.042 0.000 1.105 389 A CA -0.364 51.689 52.037 0.028 0.000 0.694 389 A CB 1.535 20.521 19.000 -0.024 0.000 1.291 389 A HN 1.176 nan 8.150 nan 0.000 0.410 390 A N -0.092 122.745 122.820 0.028 0.000 2.606 390 A HA 0.937 5.257 4.320 0.000 0.000 0.293 390 A C -0.568 177.026 177.584 0.016 0.000 1.082 390 A CA 0.133 52.190 52.037 0.034 0.000 0.685 390 A CB 1.293 20.313 19.000 0.033 0.000 1.284 390 A HN 2.485 nan 8.150 nan 0.000 0.408 391 S N 0.584 116.294 115.700 0.017 0.000 2.592 391 S HA 0.574 5.044 4.470 0.000 0.000 0.275 391 S C -1.242 173.337 174.600 -0.035 0.000 1.169 391 S CA -0.595 57.592 58.200 -0.021 0.000 0.958 391 S CB 1.082 64.294 63.200 0.020 0.000 1.095 391 S HN 0.687 nan 8.310 nan 0.000 0.471 392 E N 1.962 122.114 120.200 -0.079 0.000 2.249 392 E HA 0.580 4.930 4.350 0.000 0.000 0.280 392 E C -0.641 175.823 176.600 -0.227 0.000 1.016 392 E CA -0.605 55.694 56.400 -0.168 0.000 0.830 392 E CB 1.533 31.171 29.700 -0.103 0.000 1.081 392 E HN 0.645 nan 8.360 nan 0.000 0.395 393 T N 2.235 116.572 114.554 -0.362 0.000 2.861 393 T HA 0.466 4.816 4.350 0.000 0.000 0.287 393 T C -1.184 173.245 174.700 -0.452 0.000 1.003 393 T CA -0.644 61.345 62.100 -0.186 0.000 0.977 393 T CB 0.500 69.416 68.868 0.080 0.000 0.996 393 T HN 0.291 nan 8.240 nan 0.000 0.448 394 Y N 0.421 120.777 120.300 0.093 0.000 2.773 394 Y HA 0.725 5.275 4.550 0.000 0.000 0.323 394 Y C -0.335 175.614 175.900 0.081 0.000 1.183 394 Y CA -1.563 56.575 58.100 0.062 0.000 1.144 394 Y CB 1.026 39.499 38.460 0.021 0.000 1.340 394 Y HN 0.391 nan 8.280 nan 0.000 0.531 395 L N 0.610 121.979 121.223 0.242 0.000 2.322 395 L HA 0.443 4.783 4.340 0.000 0.000 0.279 395 L C -0.297 176.647 176.870 0.123 0.000 1.036 395 L CA -1.013 53.917 54.840 0.150 0.000 0.807 395 L CB 0.935 43.058 42.059 0.107 0.000 1.226 395 L HN 0.467 nan 8.230 nan 0.000 0.433 396 Q N 3.025 122.888 119.800 0.107 0.000 2.436 396 Q HA -0.052 4.289 4.340 0.000 0.000 0.326 396 Q C -0.370 175.661 176.000 0.052 0.000 1.079 396 Q CA 1.163 57.016 55.803 0.083 0.000 1.049 396 Q CB 0.109 28.894 28.738 0.078 0.000 1.047 396 Q HN 0.554 nan 8.270 nan 0.000 0.386 397 N N 0.000 118.720 118.700 0.033 0.000 1.763 397 N HA 0.000 4.740 4.740 0.000 0.000 0.220 397 N CA 0.000 53.057 53.050 0.012 0.000 0.885 397 N CB 0.000 38.494 38.487 0.011 0.000 1.341 397 N HN 0.000 nan 8.380 nan 0.000 0.667