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 2nsi_1_C DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.515 176.300 0.358 0.000 0.893 83 R CA 0.000 56.348 56.100 0.413 0.000 0.921 83 R CB 0.000 30.576 30.300 0.460 0.000 0.687 84 H N 1.575 120.765 119.070 0.199 0.000 2.466 84 H HA 0.448 5.005 4.556 0.000 0.000 0.338 84 H C -0.714 174.673 175.328 0.098 0.000 1.091 84 H CA -0.511 55.643 56.048 0.177 0.000 1.207 84 H CB 2.142 31.973 29.762 0.116 0.000 1.466 84 H HN 0.188 nan 8.280 nan 0.000 0.493 85 V N 3.786 123.773 119.914 0.121 0.000 2.384 85 V HA 0.314 4.434 4.120 0.000 0.000 0.287 85 V C 0.363 176.481 176.094 0.040 0.000 1.020 85 V CA -0.903 61.388 62.300 -0.016 0.000 0.850 85 V CB 1.261 32.921 31.823 -0.271 0.000 0.987 85 V HN 0.666 nan 8.190 nan 0.000 0.436 86 R N 5.644 126.167 120.500 0.040 0.000 2.298 86 R HA 0.613 4.953 4.340 0.000 0.000 0.310 86 R C -0.654 175.656 176.300 0.017 0.000 1.068 86 R CA -0.264 55.854 56.100 0.031 0.000 0.957 86 R CB 0.574 30.881 30.300 0.013 0.000 1.003 86 R HN 0.840 nan 8.270 nan 0.000 0.454 87 I N 0.468 121.049 120.570 0.017 0.000 2.608 87 I HA 0.550 4.721 4.170 0.000 0.000 0.295 87 I C -1.175 174.921 176.117 -0.035 0.000 1.049 87 I CA -1.069 60.244 61.300 0.022 0.000 1.063 87 I CB 2.188 40.228 38.000 0.065 0.000 1.248 87 I HN 0.489 nan 8.210 nan 0.000 0.424 88 K N 3.325 123.651 120.400 -0.123 0.000 2.318 88 K HA 0.400 4.720 4.320 0.000 0.000 0.249 88 K C -1.105 175.324 176.600 -0.285 0.000 0.942 88 K CA -0.770 55.316 56.287 -0.335 0.000 0.808 88 K CB 1.762 33.820 32.500 -0.736 0.000 1.189 88 K HN 0.745 nan 8.250 nan 0.000 0.428 89 N N 3.618 122.181 118.700 -0.228 0.000 2.609 89 N HA 0.114 4.855 4.740 0.000 0.000 0.234 89 N C -0.223 175.252 175.510 -0.059 0.000 1.001 89 N CA -0.522 52.525 53.050 -0.005 0.000 0.926 89 N CB 0.129 38.670 38.487 0.090 0.000 1.130 89 N HN 0.633 nan 8.380 nan 0.000 0.510 90 W N 2.125 123.510 121.300 0.142 0.000 2.389 90 W HA 0.009 4.669 4.660 0.000 0.000 0.267 90 W C 2.058 178.617 176.519 0.067 0.000 1.219 90 W CA 0.781 58.194 57.345 0.114 0.000 1.189 90 W CB -0.081 29.472 29.460 0.155 0.000 1.129 90 W HN 0.616 nan 8.180 nan 0.000 0.581 91 G N -0.389 108.544 108.800 0.223 0.000 2.395 91 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 91 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 91 G C 1.536 176.451 174.900 0.026 0.000 1.177 91 G CA 1.276 46.389 45.100 0.022 0.000 0.794 91 G HN 0.302 nan 8.290 nan 0.000 0.532 92 S N -1.112 114.608 115.700 0.033 0.000 2.503 92 S HA 0.377 4.847 4.470 0.000 0.000 0.215 92 S C 1.950 176.521 174.600 -0.049 0.000 1.003 92 S CA 1.038 59.235 58.200 -0.005 0.000 0.910 92 S CB 0.307 63.506 63.200 -0.001 0.000 0.790 92 S HN 1.516 nan 8.310 nan 0.000 0.514 93 G N 1.593 110.347 108.800 -0.077 0.000 2.234 93 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 93 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 93 G C 0.068 174.836 174.900 -0.219 0.000 0.987 93 G CA 0.377 45.386 45.100 -0.152 0.000 0.625 93 G HN 0.644 nan 8.290 nan 0.000 0.532 94 M N 2.149 121.621 119.600 -0.213 0.000 2.269 94 M HA 0.427 4.907 4.480 0.000 0.000 0.350 94 M C 0.519 176.557 176.300 -0.437 0.000 1.429 94 M CA 0.984 56.090 55.300 -0.323 0.000 1.063 94 M CB 0.543 32.935 32.600 -0.348 0.000 1.841 94 M HN 0.281 nan 8.290 nan 0.000 0.455 95 T N 4.854 119.128 114.554 -0.466 0.000 2.855 95 T HA 0.646 4.996 4.350 0.000 0.000 0.281 95 T C -1.170 173.211 174.700 -0.531 0.000 1.007 95 T CA -0.498 61.355 62.100 -0.411 0.000 1.009 95 T CB 0.503 69.214 68.868 -0.262 0.000 0.983 95 T HN 0.531 nan 8.240 nan 0.000 0.455 96 F N 1.951 121.752 119.950 -0.249 0.000 2.556 96 F HA 0.586 5.113 4.527 0.000 0.000 0.327 96 F C 0.399 176.095 175.800 -0.173 0.000 1.059 96 F CA -0.936 56.864 58.000 -0.333 0.000 0.953 96 F CB 1.984 40.479 39.000 -0.843 0.000 1.227 96 F HN 0.254 nan 8.300 nan 0.000 0.478 97 Q N 1.845 121.753 119.800 0.179 0.000 2.401 97 Q HA 0.149 4.489 4.340 0.000 0.000 0.260 97 Q C -1.333 174.854 176.000 0.312 0.000 1.034 97 Q CA -0.380 55.556 55.803 0.222 0.000 0.737 97 Q CB 1.871 30.764 28.738 0.259 0.000 1.227 97 Q HN 0.605 nan 8.270 nan 0.000 0.488 98 D N 1.420 122.000 120.400 0.299 0.000 2.312 98 D HA 0.103 4.743 4.640 0.000 0.000 0.252 98 D C 0.642 177.103 176.300 0.268 0.000 1.150 98 D CA 0.328 54.544 54.000 0.361 0.000 0.870 98 D CB 1.202 42.209 40.800 0.344 0.000 1.153 98 D HN 0.557 nan 8.370 nan 0.000 0.457 99 T N 0.876 115.533 114.554 0.170 0.000 2.964 99 T HA -0.048 4.302 4.350 0.000 0.000 0.250 99 T C 1.858 176.488 174.700 -0.116 0.000 0.982 99 T CA -0.268 61.829 62.100 -0.006 0.000 0.959 99 T CB -0.103 68.663 68.868 -0.169 0.000 1.141 99 T HN 0.243 nan 8.240 nan 0.000 0.494 100 L N 3.198 124.388 121.223 -0.054 0.000 2.349 100 L HA -0.069 4.271 4.340 0.000 0.000 0.220 100 L C 2.475 179.125 176.870 -0.366 0.000 1.130 100 L CA 1.736 56.498 54.840 -0.130 0.000 0.791 100 L CB -0.824 41.216 42.059 -0.032 0.000 0.918 100 L HN 0.590 nan 8.230 nan 0.000 0.444 101 H N -3.066 115.637 119.070 -0.612 0.000 2.518 101 H HA -0.164 4.392 4.556 0.000 0.000 0.289 101 H C 1.678 176.658 175.328 -0.581 0.000 1.051 101 H CA 1.770 57.195 56.048 -1.037 0.000 1.280 101 H CB -0.775 28.505 29.762 -0.804 0.000 1.380 101 H HN 0.551 nan 8.280 nan 0.000 0.566 102 H N 0.987 119.585 119.070 -0.787 0.000 2.395 102 H HA 0.014 4.571 4.556 0.000 0.000 0.299 102 H C 2.330 177.487 175.328 -0.285 0.000 1.070 102 H CA 1.245 56.992 56.048 -0.501 0.000 1.356 102 H CB 0.334 29.822 29.762 -0.457 0.000 1.401 102 H HN 0.264 nan 8.280 nan 0.000 0.524 103 K N 1.095 121.418 120.400 -0.128 0.000 2.515 103 K HA 0.044 4.365 4.320 0.000 0.000 0.196 103 K C 0.097 176.657 176.600 -0.066 0.000 1.038 103 K CA 0.280 56.522 56.287 -0.074 0.000 0.967 103 K CB 0.120 32.585 32.500 -0.059 0.000 0.780 103 K HN 0.187 nan 8.250 nan 0.000 0.483 104 A N 2.651 125.393 122.820 -0.130 0.000 2.366 104 A HA 0.131 4.451 4.320 0.000 0.000 0.272 104 A C -0.528 177.026 177.584 -0.049 0.000 1.135 104 A CA -0.599 51.391 52.037 -0.079 0.000 0.804 104 A CB 0.212 19.129 19.000 -0.139 0.000 1.064 104 A HN 0.357 nan 8.150 nan 0.000 0.499 105 K N 2.625 123.010 120.400 -0.024 0.000 2.368 105 K HA 0.231 4.551 4.320 0.000 0.000 0.282 105 K C 0.489 177.082 176.600 -0.012 0.000 1.035 105 K CA 0.298 56.576 56.287 -0.015 0.000 0.973 105 K CB 0.492 32.988 32.500 -0.008 0.000 0.957 105 K HN 0.581 nan 8.250 nan 0.000 0.474 106 G N 4.587 113.384 108.800 -0.006 0.000 3.284 106 G HA2 0.210 4.170 3.960 0.000 0.000 0.251 106 G HA3 0.210 4.170 3.960 0.000 0.000 0.251 106 G C 0.243 175.146 174.900 0.005 0.000 0.913 106 G CA -0.648 44.452 45.100 0.001 0.000 1.947 106 G HN 0.771 nan 8.290 nan 0.000 0.635 107 I N -1.316 119.257 120.570 0.004 0.000 2.503 107 I HA 0.650 4.820 4.170 0.000 0.000 0.277 107 I C -1.146 174.983 176.117 0.019 0.000 1.078 107 I CA -0.921 60.385 61.300 0.010 0.000 1.184 107 I CB 0.980 38.986 38.000 0.009 0.000 1.353 107 I HN -0.186 nan 8.210 nan 0.000 0.490 108 L N 3.845 125.083 121.223 0.024 0.000 2.388 108 L HA 0.482 4.822 4.340 0.000 0.000 0.264 108 L C 1.241 178.129 176.870 0.031 0.000 0.998 108 L CA -0.139 54.721 54.840 0.032 0.000 0.817 108 L CB 2.383 44.464 42.059 0.037 0.000 1.338 108 L HN 0.362 nan 8.230 nan 0.000 0.414 109 T N -0.870 113.706 114.554 0.036 0.000 3.035 109 T HA -0.025 4.325 4.350 0.000 0.000 0.268 109 T C 0.659 175.376 174.700 0.028 0.000 1.109 109 T CA 0.714 62.833 62.100 0.031 0.000 1.119 109 T CB -0.290 68.597 68.868 0.033 0.000 0.900 109 T HN 0.752 nan 8.240 nan 0.000 0.503 110 C N 2.205 121.523 119.300 0.030 0.000 2.365 110 C HA 0.916 5.376 4.460 0.000 0.000 0.374 110 C C 0.386 175.390 174.990 0.023 0.000 1.318 110 C CA -1.409 57.625 59.018 0.027 0.000 2.239 110 C CB 0.973 28.731 27.740 0.031 0.000 2.144 110 C HN 0.651 nan 8.230 nan 0.000 0.581 111 R N -0.979 119.533 120.500 0.019 0.000 3.034 111 R HA 0.473 4.813 4.340 0.000 0.000 0.264 111 R C -0.450 175.857 176.300 0.013 0.000 1.030 111 R CA -0.291 55.818 56.100 0.016 0.000 0.903 111 R CB 0.646 30.955 30.300 0.014 0.000 1.414 111 R HN 0.536 nan 8.270 nan 0.000 0.429 112 S N -0.051 115.656 115.700 0.012 0.000 2.699 112 S HA 0.130 4.600 4.470 0.000 0.000 0.251 112 S C 0.082 174.687 174.600 0.008 0.000 1.179 112 S CA 0.092 58.297 58.200 0.009 0.000 1.200 112 S CB -0.504 62.702 63.200 0.010 0.000 0.848 112 S HN 0.553 nan 8.310 nan 0.000 0.472 113 K N -0.681 119.724 120.400 0.008 0.000 2.548 113 K HA 0.096 4.416 4.320 0.000 0.000 0.193 113 K C -0.516 176.089 176.600 0.007 0.000 1.714 113 K CA 0.037 56.328 56.287 0.007 0.000 1.024 113 K CB 0.059 32.564 32.500 0.008 0.000 1.484 113 K HN 0.287 nan 8.250 nan 0.000 0.602 114 S N 0.298 116.003 115.700 0.009 0.000 2.194 114 S HA 0.126 4.596 4.470 0.000 0.000 0.249 114 S C -0.726 173.882 174.600 0.013 0.000 0.777 114 S CA -0.758 57.448 58.200 0.010 0.000 0.947 114 S CB -0.291 62.916 63.200 0.011 0.000 1.282 114 S HN 0.312 nan 8.310 nan 0.000 0.383 115 C N 5.624 124.930 119.300 0.011 0.000 2.624 115 C HA 0.335 4.795 4.460 0.000 0.000 0.397 115 C C 1.315 176.319 174.990 0.022 0.000 1.331 115 C CA -0.488 58.540 59.018 0.016 0.000 1.716 115 C CB -1.344 26.404 27.740 0.013 0.000 2.452 115 C HN 0.886 nan 8.230 nan 0.000 0.586 116 L N 6.801 128.041 121.223 0.028 0.000 2.930 116 L HA 0.191 4.531 4.340 0.000 0.000 0.250 116 L C 1.445 178.342 176.870 0.045 0.000 1.320 116 L CA 0.685 55.545 54.840 0.033 0.000 1.163 116 L CB -1.524 40.554 42.059 0.032 0.000 1.542 116 L HN 0.995 nan 8.230 nan 0.000 0.428 117 G N -1.110 107.717 108.800 0.046 0.000 2.320 117 G HA2 0.348 4.308 3.960 0.000 0.000 0.300 117 G HA3 0.348 4.308 3.960 0.000 0.000 0.300 117 G C 0.612 175.557 174.900 0.074 0.000 1.126 117 G CA 0.302 45.440 45.100 0.063 0.000 0.896 117 G HN 0.295 nan 8.290 nan 0.000 0.436 118 S N 1.238 117.001 115.700 0.105 0.000 2.066 118 S HA -0.162 4.308 4.470 0.000 0.000 0.234 118 S C 0.168 174.838 174.600 0.117 0.000 1.363 118 S CA -0.489 57.782 58.200 0.119 0.000 1.043 118 S CB -1.276 61.974 63.200 0.082 0.000 1.319 118 S HN 0.501 nan 8.310 nan 0.000 0.645 119 I N 3.205 123.836 120.570 0.101 0.000 2.371 119 I HA 0.322 4.492 4.170 0.000 0.000 0.290 119 I C 1.711 177.889 176.117 0.100 0.000 1.028 119 I CA -0.062 61.285 61.300 0.079 0.000 1.345 119 I CB 0.804 38.831 38.000 0.046 0.000 1.407 119 I HN 0.446 nan 8.210 nan 0.000 0.501 120 M N 5.097 124.758 119.600 0.101 0.000 2.073 120 M HA -0.163 4.318 4.480 0.000 0.000 0.258 120 M C 0.766 177.039 176.300 -0.044 0.000 1.070 120 M CA 1.989 57.367 55.300 0.129 0.000 1.103 120 M CB -0.195 32.461 32.600 0.092 0.000 1.321 120 M HN 0.685 nan 8.290 nan 0.000 0.405 121 T N -1.440 113.041 114.554 -0.121 0.000 3.209 121 T HA 0.555 4.905 4.350 0.000 0.000 0.366 121 T C -2.598 172.031 174.700 -0.118 0.000 1.293 121 T CA -1.525 60.407 62.100 -0.281 0.000 1.417 121 T CB 0.327 68.957 68.868 -0.396 0.000 1.013 121 T HN 0.040 nan 8.240 nan 0.000 0.572 122 P HA 0.256 nan 4.420 nan 0.000 0.269 122 P C 1.120 178.440 177.300 0.033 0.000 1.215 122 P CA -0.619 62.488 63.100 0.010 0.000 0.780 122 P CB 0.858 32.581 31.700 0.038 0.000 0.898 123 K N 1.056 121.475 120.400 0.033 0.000 2.211 123 K HA -0.089 4.232 4.320 0.000 0.000 0.203 123 K C 1.793 178.436 176.600 0.072 0.000 1.050 123 K CA 1.695 58.006 56.287 0.040 0.000 0.945 123 K CB -0.652 31.861 32.500 0.022 0.000 0.732 123 K HN 0.596 nan 8.250 nan 0.000 0.451 124 S N 0.309 116.057 115.700 0.079 0.000 2.419 124 S HA -0.075 4.395 4.470 0.000 0.000 0.233 124 S C 1.932 176.650 174.600 0.196 0.000 1.016 124 S CA 0.739 58.999 58.200 0.100 0.000 0.974 124 S CB -0.302 62.941 63.200 0.072 0.000 0.786 124 S HN 0.253 nan 8.310 nan 0.000 0.492 125 L N 1.308 122.676 121.223 0.242 0.000 2.567 125 L HA 0.182 4.523 4.340 0.000 0.000 0.225 125 L C 0.287 177.494 176.870 0.563 0.000 1.119 125 L CA 0.146 55.238 54.840 0.420 0.000 0.871 125 L CB -0.369 41.944 42.059 0.423 0.000 1.036 125 L HN 0.277 nan 8.230 nan 0.000 0.459 126 T N -0.310 114.453 114.554 0.348 0.000 2.907 126 T HA 0.405 4.756 4.350 0.000 0.000 0.284 126 T C -0.112 174.666 174.700 0.129 0.000 1.004 126 T CA -0.438 61.823 62.100 0.268 0.000 1.063 126 T CB 2.095 71.041 68.868 0.131 0.000 0.992 126 T HN -0.078 nan 8.240 nan 0.000 0.483 127 R N 1.346 121.887 120.500 0.067 0.000 2.513 127 R HA 0.487 4.827 4.340 0.000 0.000 0.283 127 R C 0.440 176.714 176.300 -0.043 0.000 1.535 127 R CA -0.393 55.644 56.100 -0.105 0.000 1.315 127 R CB 0.069 30.211 30.300 -0.263 0.000 1.163 127 R HN 0.872 nan 8.270 nan 0.000 0.573 128 G N 3.030 111.801 108.800 -0.047 0.000 2.647 128 G HA2 0.209 4.169 3.960 0.000 0.000 0.271 128 G HA3 0.209 4.169 3.960 0.000 0.000 0.271 128 G C -1.935 172.934 174.900 -0.052 0.000 1.300 128 G CA -0.660 44.412 45.100 -0.047 0.000 0.997 128 G HN 0.528 nan 8.290 nan 0.000 0.533 129 P HA 0.397 nan 4.420 nan 0.000 0.279 129 P C -0.746 176.530 177.300 -0.041 0.000 1.276 129 P CA -0.451 62.621 63.100 -0.047 0.000 0.801 129 P CB 1.294 32.959 31.700 -0.058 0.000 1.127 130 R N -0.565 119.917 120.500 -0.031 0.000 2.817 130 R HA 0.513 4.853 4.340 0.000 0.000 0.268 130 R C -0.480 175.811 176.300 -0.016 0.000 1.027 130 R CA -0.741 55.343 56.100 -0.027 0.000 0.928 130 R CB 0.807 31.089 30.300 -0.030 0.000 1.228 130 R HN 0.312 nan 8.270 nan 0.000 0.469 131 D N -0.229 120.164 120.400 -0.013 0.000 2.520 131 D HA 0.168 4.808 4.640 0.000 0.000 0.223 131 D C -0.566 175.733 176.300 -0.001 0.000 1.186 131 D CA -0.168 53.830 54.000 -0.003 0.000 0.821 131 D CB 0.662 41.457 40.800 -0.009 0.000 1.072 131 D HN 0.429 nan 8.370 nan 0.000 0.518 132 K N 0.958 121.352 120.400 -0.010 0.000 2.427 132 K HA 0.525 4.845 4.320 0.000 0.000 0.252 132 K C -2.883 173.705 176.600 -0.020 0.000 0.931 132 K CA -1.858 54.421 56.287 -0.013 0.000 0.793 132 K CB 2.598 35.091 32.500 -0.013 0.000 1.211 132 K HN -0.219 nan 8.250 nan 0.000 0.426 133 P HA -0.043 nan 4.420 nan 0.000 0.269 133 P C -0.746 176.538 177.300 -0.026 0.000 1.217 133 P CA -0.105 62.975 63.100 -0.032 0.000 0.783 133 P CB 0.316 31.995 31.700 -0.034 0.000 0.898 134 T N 3.395 117.932 114.554 -0.029 0.000 2.817 134 T HA 0.148 4.499 4.350 0.000 0.000 0.295 134 T C -2.151 172.545 174.700 -0.007 0.000 0.958 134 T CA -0.888 61.201 62.100 -0.019 0.000 1.157 134 T CB -0.687 68.169 68.868 -0.019 0.000 0.898 134 T HN 0.275 nan 8.240 nan 0.000 0.536 135 P HA 0.057 nan 4.420 nan 0.000 0.256 135 P C -1.797 175.506 177.300 0.005 0.000 1.173 135 P CA -1.025 62.073 63.100 -0.003 0.000 0.768 135 P CB 0.143 31.840 31.700 -0.005 0.000 0.758 136 P HA -0.241 nan 4.420 nan 0.000 0.216 136 P C 0.949 178.252 177.300 0.005 0.000 1.154 136 P CA 1.528 64.635 63.100 0.011 0.000 0.865 136 P CB -0.038 31.666 31.700 0.007 0.000 0.789 137 D N -0.558 119.842 120.400 0.001 0.000 2.144 137 D HA -0.173 4.468 4.640 0.000 0.000 0.199 137 D C 1.842 178.142 176.300 0.001 0.000 0.984 137 D CA 1.275 55.274 54.000 -0.002 0.000 0.834 137 D CB -0.189 40.608 40.800 -0.003 0.000 0.955 137 D HN 0.525 nan 8.370 nan 0.000 0.465 138 E N 0.495 120.698 120.200 0.004 0.000 2.385 138 E HA -0.054 4.297 4.350 0.000 0.000 0.194 138 E C 2.129 178.739 176.600 0.018 0.000 1.013 138 E CA 0.028 56.432 56.400 0.007 0.000 0.866 138 E CB -0.149 29.553 29.700 0.003 0.000 0.832 138 E HN 0.088 nan 8.360 nan 0.000 0.500 139 L N 0.805 122.042 121.223 0.024 0.000 2.179 139 L HA 0.047 4.388 4.340 0.000 0.000 0.208 139 L C 2.061 178.953 176.870 0.038 0.000 1.096 139 L CA 0.967 55.837 54.840 0.051 0.000 0.779 139 L CB -0.332 41.771 42.059 0.073 0.000 0.922 139 L HN 0.262 nan 8.230 nan 0.000 0.443 140 L N 0.452 121.676 121.223 0.002 0.000 1.989 140 L HA -0.078 4.263 4.340 0.000 0.000 0.211 140 L C -0.488 176.374 176.870 -0.013 0.000 1.071 140 L CA 2.051 56.872 54.840 -0.032 0.000 0.749 140 L CB -1.727 40.312 42.059 -0.033 0.000 0.890 140 L HN 0.169 nan 8.230 nan 0.000 0.431 141 P HA -0.211 nan 4.420 nan 0.000 0.216 141 P C 1.447 178.776 177.300 0.048 0.000 1.153 141 P CA 1.675 64.787 63.100 0.021 0.000 0.858 141 P CB -0.095 31.616 31.700 0.019 0.000 0.789 142 Q N -0.807 119.031 119.800 0.063 0.000 2.079 142 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 142 Q C 2.269 178.365 176.000 0.159 0.000 0.974 142 Q CA 1.552 57.420 55.803 0.108 0.000 0.840 142 Q CB -0.759 28.040 28.738 0.103 0.000 0.898 142 Q HN 0.179 nan 8.270 nan 0.000 0.430 143 A N 1.375 124.259 122.820 0.106 0.000 1.877 143 A HA -0.188 4.132 4.320 0.000 0.000 0.216 143 A C 2.049 179.700 177.584 0.112 0.000 1.186 143 A CA 1.254 53.330 52.037 0.066 0.000 0.620 143 A CB -0.523 18.283 19.000 -0.322 0.000 0.822 143 A HN 0.236 nan 8.150 nan 0.000 0.443 144 I N -0.071 120.530 120.570 0.052 0.000 2.179 144 I HA -0.185 3.986 4.170 0.000 0.000 0.242 144 I C 2.463 178.660 176.117 0.133 0.000 1.088 144 I CA 1.332 62.676 61.300 0.074 0.000 1.357 144 I CB -1.608 36.413 38.000 0.034 0.000 1.051 144 I HN 0.358 nan 8.210 nan 0.000 0.409 145 E N 0.607 120.888 120.200 0.135 0.000 2.065 145 E HA -0.279 4.071 4.350 0.000 0.000 0.201 145 E C 2.181 178.898 176.600 0.194 0.000 1.016 145 E CA 1.561 58.047 56.400 0.144 0.000 0.818 145 E CB -0.512 29.270 29.700 0.137 0.000 0.749 145 E HN 0.455 nan 8.360 nan 0.000 0.453 146 F N 1.215 121.246 119.950 0.135 0.000 2.075 146 F HA -0.227 4.300 4.527 0.001 0.000 0.297 146 F C 2.322 178.239 175.800 0.194 0.000 1.113 146 F CA 1.405 59.514 58.000 0.180 0.000 1.218 146 F CB -0.602 38.520 39.000 0.204 0.000 0.984 146 F HN -0.175 nan 8.300 nan 0.000 0.472 147 V N 1.348 121.294 119.914 0.053 0.000 2.380 147 V HA -0.393 3.728 4.120 0.000 0.000 0.251 147 V C 2.228 178.347 176.094 0.041 0.000 1.063 147 V CA 2.231 64.538 62.300 0.012 0.000 1.055 147 V CB -1.070 30.887 31.823 0.223 0.000 0.657 147 V HN 0.406 nan 8.190 nan 0.000 0.455 148 N N -0.049 118.706 118.700 0.093 0.000 2.106 148 N HA -0.193 4.548 4.740 0.000 0.000 0.188 148 N C 1.920 177.411 175.510 -0.032 0.000 1.029 148 N CA 1.649 54.766 53.050 0.111 0.000 0.848 148 N CB -0.451 38.126 38.487 0.150 0.000 1.007 148 N HN 0.649 nan 8.380 nan 0.000 0.423 149 Q N -0.442 119.319 119.800 -0.066 0.000 2.096 149 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 149 Q C 1.976 177.796 176.000 -0.300 0.000 0.982 149 Q CA 1.337 57.093 55.803 -0.079 0.000 0.850 149 Q CB -0.185 28.581 28.738 0.047 0.000 0.901 149 Q HN 0.485 nan 8.270 nan 0.000 0.422 150 Y N -0.318 119.534 120.300 -0.746 0.000 2.114 150 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 150 Y C 1.509 176.925 175.900 -0.808 0.000 1.143 150 Y CA 1.952 59.300 58.100 -1.252 0.000 1.135 150 Y CB -0.473 37.243 38.460 -1.241 0.000 0.980 150 Y HN 0.175 nan 8.280 nan 0.000 0.499 151 Y N -0.079 119.969 120.300 -0.419 0.000 2.439 151 Y HA 0.023 4.574 4.550 0.000 0.000 0.292 151 Y C 2.563 178.333 175.900 -0.217 0.000 1.130 151 Y CA 1.117 59.022 58.100 -0.325 0.000 1.254 151 Y CB -0.703 37.342 38.460 -0.692 0.000 1.000 151 Y HN 0.246 nan 8.280 nan 0.000 0.554 152 G N -1.190 107.523 108.800 -0.144 0.000 2.534 152 G HA2 -0.206 3.755 3.960 0.000 0.000 0.217 152 G HA3 -0.206 3.755 3.960 0.000 0.000 0.217 152 G C 1.811 176.632 174.900 -0.132 0.000 1.128 152 G CA 0.966 46.019 45.100 -0.080 0.000 0.784 152 G HN 0.462 nan 8.290 nan 0.000 0.542 153 S N 0.186 115.692 115.700 -0.322 0.000 2.406 153 S HA 0.148 4.618 4.470 0.000 0.000 0.228 153 S C 0.861 175.230 174.600 -0.386 0.000 1.020 153 S CA -0.261 57.718 58.200 -0.368 0.000 0.965 153 S CB -0.396 62.454 63.200 -0.583 0.000 0.798 153 S HN 0.070 nan 8.310 nan 0.000 0.488 154 F N 3.744 123.518 119.950 -0.293 0.000 2.553 154 F HA 0.247 4.774 4.527 0.000 0.000 0.356 154 F C 1.917 177.653 175.800 -0.107 0.000 1.142 154 F CA -0.595 57.284 58.000 -0.202 0.000 1.322 154 F CB 0.573 39.441 39.000 -0.220 0.000 1.126 154 F HN 0.062 nan 8.300 nan 0.000 0.599 155 K N 1.721 122.184 120.400 0.106 0.000 1.963 155 K HA -0.163 4.157 4.320 0.000 0.000 0.216 155 K C 0.001 176.640 176.600 0.065 0.000 1.045 155 K CA 1.235 57.556 56.287 0.057 0.000 0.954 155 K CB -0.966 31.559 32.500 0.043 0.000 0.732 155 K HN 0.587 nan 8.250 nan 0.000 0.442 156 E N 1.798 122.040 120.200 0.070 0.000 2.167 156 E HA 0.486 4.836 4.350 0.000 0.000 0.284 156 E C -0.779 175.847 176.600 0.043 0.000 1.016 156 E CA -0.486 55.939 56.400 0.042 0.000 0.817 156 E CB 1.144 30.857 29.700 0.022 0.000 1.080 156 E HN 0.409 nan 8.360 nan 0.000 0.397 157 A N 4.441 127.285 122.820 0.040 0.000 2.540 157 A HA 0.094 4.414 4.320 0.000 0.000 0.239 157 A C 0.018 177.603 177.584 0.003 0.000 1.061 157 A CA -0.342 51.720 52.037 0.042 0.000 0.758 157 A CB 0.140 19.169 19.000 0.049 0.000 0.991 157 A HN 0.474 nan 8.150 nan 0.000 0.502 158 K N 4.248 124.641 120.400 -0.011 0.000 2.559 158 K HA 0.171 4.491 4.320 0.000 0.000 0.236 158 K C 0.776 177.332 176.600 -0.073 0.000 1.185 158 K CA -0.503 55.750 56.287 -0.057 0.000 1.157 158 K CB 0.075 32.530 32.500 -0.076 0.000 1.782 158 K HN 0.661 nan 8.250 nan 0.000 0.419 159 I N 0.592 121.139 120.570 -0.039 0.000 2.185 159 I HA -0.332 3.838 4.170 0.000 0.000 0.246 159 I C 2.249 178.309 176.117 -0.095 0.000 1.088 159 I CA 1.617 62.886 61.300 -0.051 0.000 1.347 159 I CB -0.656 37.315 38.000 -0.048 0.000 1.041 159 I HN 0.424 nan 8.210 nan 0.000 0.415 160 E N 1.648 121.798 120.200 -0.083 0.000 2.005 160 E HA -0.230 4.120 4.350 0.000 0.000 0.198 160 E C 2.105 178.640 176.600 -0.108 0.000 1.010 160 E CA 1.903 58.253 56.400 -0.082 0.000 0.825 160 E CB -0.249 29.416 29.700 -0.057 0.000 0.769 160 E HN 0.484 nan 8.360 nan 0.000 0.456 161 E N -0.847 119.285 120.200 -0.112 0.000 2.130 161 E HA -0.276 4.074 4.350 0.000 0.000 0.196 161 E C 2.151 178.560 176.600 -0.318 0.000 0.998 161 E CA 1.302 57.631 56.400 -0.118 0.000 0.806 161 E CB -0.367 29.330 29.700 -0.006 0.000 0.738 161 E HN 0.513 nan 8.360 nan 0.000 0.459 162 H N 0.650 119.267 119.070 -0.756 0.000 2.251 162 H HA -0.156 4.400 4.556 0.000 0.000 0.294 162 H C 2.387 177.430 175.328 -0.476 0.000 1.078 162 H CA 1.258 56.662 56.048 -1.074 0.000 1.246 162 H CB -0.011 29.297 29.762 -0.757 0.000 1.358 162 H HN 0.102 nan 8.280 nan 0.000 0.488 163 L N 0.917 122.003 121.223 -0.229 0.000 2.013 163 L HA -0.191 4.149 4.340 0.000 0.000 0.212 163 L C 2.595 179.396 176.870 -0.115 0.000 1.073 163 L CA 1.940 56.658 54.840 -0.204 0.000 0.753 163 L CB -1.533 40.421 42.059 -0.175 0.000 0.890 163 L HN 0.513 nan 8.230 nan 0.000 0.432 164 A N 0.055 122.818 122.820 -0.095 0.000 1.908 164 A HA -0.298 4.022 4.320 0.000 0.000 0.218 164 A C 2.328 179.903 177.584 -0.015 0.000 1.181 164 A CA 2.045 54.053 52.037 -0.048 0.000 0.627 164 A CB -0.594 18.385 19.000 -0.035 0.000 0.818 164 A HN 0.486 nan 8.150 nan 0.000 0.445 165 R N -0.121 120.379 120.500 -0.001 0.000 2.062 165 R HA -0.070 4.271 4.340 0.000 0.000 0.231 165 R C 1.883 178.217 176.300 0.056 0.000 1.136 165 R CA 2.033 58.177 56.100 0.074 0.000 0.948 165 R CB -1.227 29.192 30.300 0.198 0.000 0.845 165 R HN 0.254 nan 8.270 nan 0.000 0.430 166 V N 0.924 120.862 119.914 0.041 0.000 2.324 166 V HA -0.271 3.849 4.120 0.000 0.000 0.250 166 V C 2.215 178.297 176.094 -0.020 0.000 1.060 166 V CA 2.339 64.647 62.300 0.015 0.000 1.042 166 V CB -0.619 31.189 31.823 -0.025 0.000 0.650 166 V HN 0.385 nan 8.190 nan 0.000 0.450 167 E N 0.231 120.415 120.200 -0.027 0.000 2.007 167 E HA -0.171 4.179 4.350 0.000 0.000 0.194 167 E C 2.306 178.896 176.600 -0.017 0.000 0.999 167 E CA 1.566 57.949 56.400 -0.029 0.000 0.811 167 E CB -0.628 29.055 29.700 -0.030 0.000 0.762 167 E HN 0.507 nan 8.360 nan 0.000 0.450 168 A N 0.116 122.935 122.820 -0.002 0.000 1.927 168 A HA -0.242 4.079 4.320 0.000 0.000 0.220 168 A C 2.459 180.048 177.584 0.009 0.000 1.185 168 A CA 1.983 54.028 52.037 0.013 0.000 0.639 168 A CB -0.961 18.059 19.000 0.033 0.000 0.820 168 A HN 0.204 nan 8.150 nan 0.000 0.451 169 V N -0.429 119.479 119.914 -0.009 0.000 2.270 169 V HA -0.233 3.887 4.120 0.000 0.000 0.245 169 V C 2.744 178.772 176.094 -0.110 0.000 1.043 169 V CA 2.477 64.732 62.300 -0.075 0.000 1.014 169 V CB -1.488 30.245 31.823 -0.150 0.000 0.645 169 V HN 0.632 nan 8.190 nan 0.000 0.447 170 T N 0.126 114.627 114.554 -0.089 0.000 2.635 170 T HA -0.319 4.031 4.350 0.000 0.000 0.267 170 T C 1.914 176.587 174.700 -0.045 0.000 1.040 170 T CA 2.173 64.229 62.100 -0.074 0.000 1.156 170 T CB -0.312 68.523 68.868 -0.053 0.000 0.863 170 T HN 0.420 nan 8.240 nan 0.000 0.430 171 K N 1.404 121.787 120.400 -0.027 0.000 2.001 171 K HA -0.199 4.121 4.320 0.000 0.000 0.214 171 K C 2.285 178.884 176.600 -0.002 0.000 1.050 171 K CA 2.138 58.418 56.287 -0.012 0.000 0.934 171 K CB -0.427 32.070 32.500 -0.005 0.000 0.718 171 K HN 0.449 nan 8.250 nan 0.000 0.443 172 E N -0.053 120.152 120.200 0.009 0.000 2.097 172 E HA -0.216 4.135 4.350 0.000 0.000 0.196 172 E C 1.992 178.616 176.600 0.041 0.000 1.000 172 E CA 1.838 58.260 56.400 0.037 0.000 0.804 172 E CB -0.153 29.592 29.700 0.075 0.000 0.740 172 E HN 0.463 nan 8.360 nan 0.000 0.454 173 I N 1.243 121.822 120.570 0.014 0.000 2.226 173 I HA -0.262 3.908 4.170 0.000 0.000 0.245 173 I C 2.417 178.543 176.117 0.014 0.000 1.100 173 I CA 1.587 62.901 61.300 0.022 0.000 1.374 173 I CB -0.488 37.489 38.000 -0.037 0.000 1.057 173 I HN 0.259 nan 8.210 nan 0.000 0.413 174 E N 0.529 120.728 120.200 -0.001 0.000 2.371 174 E HA -0.121 4.229 4.350 0.000 0.000 0.194 174 E C 1.795 178.397 176.600 0.003 0.000 1.012 174 E CA 1.476 57.875 56.400 -0.001 0.000 0.860 174 E CB -0.319 29.376 29.700 -0.008 0.000 0.811 174 E HN 0.535 nan 8.360 nan 0.000 0.502 175 T N -1.205 113.353 114.554 0.007 0.000 3.051 175 T HA -0.004 4.347 4.350 0.000 0.000 0.255 175 T C 1.977 176.684 174.700 0.011 0.000 1.085 175 T CA 1.072 63.177 62.100 0.008 0.000 1.109 175 T CB 0.167 69.040 68.868 0.008 0.000 0.921 175 T HN 0.255 nan 8.240 nan 0.000 0.488 176 T N -3.440 111.125 114.554 0.018 0.000 2.975 176 T HA 0.537 4.887 4.350 0.000 0.000 0.261 176 T C 1.875 176.585 174.700 0.016 0.000 0.984 176 T CA 0.734 62.844 62.100 0.017 0.000 0.911 176 T CB 0.126 69.009 68.868 0.026 0.000 1.127 176 T HN 0.868 nan 8.240 nan 0.000 0.514 177 G N 0.253 109.067 108.800 0.023 0.000 2.217 177 G HA2 -0.193 3.767 3.960 0.000 0.000 0.246 177 G HA3 -0.193 3.767 3.960 0.000 0.000 0.246 177 G C 0.236 175.162 174.900 0.044 0.000 0.990 177 G CA 0.630 45.743 45.100 0.021 0.000 0.627 177 G HN 1.013 nan 8.290 nan 0.000 0.522 178 T N -1.477 113.122 114.554 0.075 0.000 2.630 178 T HA 0.695 5.045 4.350 0.000 0.000 0.300 178 T C -1.691 173.166 174.700 0.261 0.000 1.261 178 T CA 0.622 62.806 62.100 0.141 0.000 1.060 178 T CB 1.171 70.050 68.868 0.018 0.000 1.670 178 T HN 1.680 nan 8.240 nan 0.000 0.473 179 Y N -0.562 119.722 120.300 -0.028 0.000 2.677 179 Y HA 0.778 5.328 4.550 0.000 0.000 0.334 179 Y C -1.541 174.352 175.900 -0.011 0.000 1.196 179 Y CA -1.223 56.871 58.100 -0.010 0.000 1.059 179 Y CB 0.662 39.127 38.460 0.009 0.000 1.315 179 Y HN 0.416 nan 8.280 nan 0.000 0.455 180 Q N 2.093 121.907 119.800 0.023 0.000 2.266 180 Q HA 0.566 4.906 4.340 0.000 0.000 0.261 180 Q C -0.983 175.026 176.000 0.015 0.000 0.985 180 Q CA -0.837 54.933 55.803 -0.055 0.000 0.873 180 Q CB 2.784 31.525 28.738 0.005 0.000 1.306 180 Q HN 0.857 nan 8.270 nan 0.000 0.447 181 L N 1.271 122.477 121.223 -0.028 0.000 2.357 181 L HA 0.370 4.710 4.340 0.000 0.000 0.273 181 L C 1.071 177.957 176.870 0.027 0.000 1.080 181 L CA -0.627 54.227 54.840 0.023 0.000 0.803 181 L CB 1.176 43.220 42.059 -0.025 0.000 1.174 181 L HN 0.701 nan 8.230 nan 0.000 0.443 182 T N -0.833 113.734 114.554 0.022 0.000 2.766 182 T HA 0.149 4.499 4.350 0.000 0.000 0.295 182 T C 1.342 176.045 174.700 0.005 0.000 1.024 182 T CA -0.105 62.000 62.100 0.009 0.000 1.018 182 T CB 1.278 70.139 68.868 -0.011 0.000 1.002 182 T HN 0.703 nan 8.240 nan 0.000 0.532 183 G N 0.395 109.206 108.800 0.018 0.000 2.514 183 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 183 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 183 G C 1.184 176.109 174.900 0.041 0.000 1.198 183 G CA 1.155 46.266 45.100 0.019 0.000 0.780 183 G HN 0.893 nan 8.290 nan 0.000 0.565 184 D N -0.021 120.427 120.400 0.080 0.000 2.218 184 D HA -0.040 4.600 4.640 0.000 0.000 0.204 184 D C 2.381 178.821 176.300 0.233 0.000 0.976 184 D CA 1.009 55.109 54.000 0.167 0.000 0.853 184 D CB -0.075 40.874 40.800 0.249 0.000 0.939 184 D HN 0.513 nan 8.370 nan 0.000 0.481 185 E N -0.712 119.514 120.200 0.044 0.000 2.077 185 E HA -0.155 4.195 4.350 0.000 0.000 0.193 185 E C 1.920 178.671 176.600 0.253 0.000 0.989 185 E CA 0.495 56.888 56.400 -0.012 0.000 0.800 185 E CB -0.058 29.535 29.700 -0.178 0.000 0.746 185 E HN 0.245 nan 8.360 nan 0.000 0.452 186 L N 1.137 122.415 121.223 0.092 0.000 1.994 186 L HA -0.173 4.167 4.340 0.000 0.000 0.208 186 L C 2.013 178.901 176.870 0.030 0.000 1.071 186 L CA 1.563 56.400 54.840 -0.005 0.000 0.745 186 L CB -0.380 41.626 42.059 -0.088 0.000 0.892 186 L HN 0.144 nan 8.230 nan 0.000 0.431 187 I N -1.087 119.522 120.570 0.065 0.000 2.118 187 I HA -0.375 3.795 4.170 0.000 0.000 0.241 187 I C 2.423 178.624 176.117 0.140 0.000 1.070 187 I CA 2.052 63.389 61.300 0.061 0.000 1.327 187 I CB -0.527 37.514 38.000 0.069 0.000 1.034 187 I HN 0.367 nan 8.210 nan 0.000 0.405 188 F N 1.780 121.802 119.950 0.121 0.000 2.095 188 F HA -0.289 4.239 4.527 0.000 0.000 0.298 188 F C 2.467 178.366 175.800 0.165 0.000 1.104 188 F CA 1.630 59.725 58.000 0.158 0.000 1.232 188 F CB -0.462 38.701 39.000 0.271 0.000 0.987 188 F HN 0.022 nan 8.300 nan 0.000 0.475 189 A N 0.133 123.071 122.820 0.198 0.000 1.908 189 A HA -0.238 4.082 4.320 0.000 0.000 0.218 189 A C 2.287 179.770 177.584 -0.169 0.000 1.181 189 A CA 2.840 54.891 52.037 0.023 0.000 0.627 189 A CB -1.700 17.327 19.000 0.045 0.000 0.818 189 A HN 0.589 nan 8.150 nan 0.000 0.445 190 T N -1.405 113.077 114.554 -0.120 0.000 2.708 190 T HA -0.170 4.180 4.350 0.000 0.000 0.266 190 T C 1.825 176.543 174.700 0.031 0.000 1.037 190 T CA 1.582 63.633 62.100 -0.081 0.000 1.146 190 T CB -0.403 68.432 68.868 -0.055 0.000 0.865 190 T HN 0.544 nan 8.240 nan 0.000 0.435 191 K N 0.623 121.054 120.400 0.051 0.000 2.097 191 K HA -0.099 4.222 4.320 0.000 0.000 0.206 191 K C 2.661 179.308 176.600 0.078 0.000 1.049 191 K CA 1.437 57.847 56.287 0.205 0.000 0.933 191 K CB -0.225 32.408 32.500 0.222 0.000 0.717 191 K HN 0.276 nan 8.250 nan 0.000 0.442 192 Q N 0.777 120.432 119.800 -0.241 0.000 2.079 192 Q HA -0.040 4.301 4.340 0.000 0.000 0.200 192 Q C 1.909 177.742 176.000 -0.279 0.000 0.974 192 Q CA 1.742 57.290 55.803 -0.426 0.000 0.840 192 Q CB -0.245 28.074 28.738 -0.698 0.000 0.898 192 Q HN 0.323 nan 8.270 nan 0.000 0.430 193 A N -0.603 122.063 122.820 -0.257 0.000 1.972 193 A HA -0.174 4.147 4.320 0.000 0.000 0.219 193 A C 1.804 179.340 177.584 -0.079 0.000 1.169 193 A CA 1.407 53.223 52.037 -0.370 0.000 0.635 193 A CB -1.089 17.342 19.000 -0.947 0.000 0.810 193 A HN 0.693 nan 8.150 nan 0.000 0.446 194 W N 1.024 122.301 121.300 -0.038 0.000 2.378 194 W HA -0.117 4.543 4.660 0.001 0.000 0.313 194 W C 2.279 178.702 176.519 -0.160 0.000 1.197 194 W CA 1.510 58.830 57.345 -0.043 0.000 1.304 194 W CB -0.785 28.635 29.460 -0.067 0.000 1.148 194 W HN 0.361 nan 8.180 nan 0.000 0.494 195 R N 0.486 120.895 120.500 -0.151 0.000 2.159 195 R HA -0.180 4.160 4.340 0.000 0.000 0.237 195 R C 1.387 177.529 176.300 -0.263 0.000 1.131 195 R CA 1.779 57.599 56.100 -0.466 0.000 0.982 195 R CB -0.522 29.195 30.300 -0.973 0.000 0.868 195 R HN 0.114 nan 8.270 nan 0.000 0.453 196 N N 0.110 118.703 118.700 -0.179 0.000 2.336 196 N HA 0.037 4.777 4.740 0.000 0.000 0.189 196 N C -0.504 174.955 175.510 -0.085 0.000 1.113 196 N CA 0.542 53.535 53.050 -0.094 0.000 0.858 196 N CB 0.787 39.264 38.487 -0.017 0.000 0.970 196 N HN 0.150 nan 8.380 nan 0.000 0.471 197 A N 2.647 125.384 122.820 -0.139 0.000 2.457 197 A HA 0.230 4.550 4.320 0.000 0.000 0.298 197 A C -1.088 176.441 177.584 -0.093 0.000 1.288 197 A CA -1.093 50.804 52.037 -0.232 0.000 0.956 197 A CB 0.429 19.321 19.000 -0.179 0.000 1.135 197 A HN -0.005 nan 8.150 nan 0.000 0.535 198 P HA -0.125 nan 4.420 nan 0.000 0.228 198 P C 0.777 178.069 177.300 -0.015 0.000 1.151 198 P CA 0.960 64.048 63.100 -0.020 0.000 0.770 198 P CB 0.236 31.922 31.700 -0.025 0.000 0.786 199 R N -1.617 118.842 120.500 -0.068 0.000 2.334 199 R HA 0.150 4.490 4.340 0.000 0.000 0.212 199 R C 0.686 177.019 176.300 0.056 0.000 0.897 199 R CA -0.156 55.935 56.100 -0.015 0.000 1.056 199 R CB -0.138 30.029 30.300 -0.221 0.000 1.046 199 R HN 0.142 nan 8.270 nan 0.000 0.513 200 C N 1.159 120.475 119.300 0.027 0.000 2.394 200 C HA 0.282 4.743 4.460 0.000 0.000 0.362 200 C C 1.827 176.847 174.990 0.049 0.000 1.268 200 C CA -0.677 58.380 59.018 0.064 0.000 1.828 200 C CB -0.582 27.244 27.740 0.144 0.000 2.442 200 C HN 0.548 nan 8.230 nan 0.000 0.549 201 I N 4.314 124.877 120.570 -0.012 0.000 3.226 201 I HA 0.194 4.365 4.170 0.000 0.000 0.277 201 I C 1.848 178.044 176.117 0.131 0.000 1.243 201 I CA 1.038 62.292 61.300 -0.078 0.000 1.459 201 I CB 0.047 37.944 38.000 -0.172 0.000 1.093 201 I HN 0.882 nan 8.210 nan 0.000 0.453 202 G N 0.242 109.089 108.800 0.078 0.000 3.383 202 G HA2 0.027 3.987 3.960 0.000 0.000 0.251 202 G HA3 0.027 3.987 3.960 0.000 0.000 0.251 202 G C 1.234 176.114 174.900 -0.033 0.000 1.203 202 G CA -0.374 44.753 45.100 0.046 0.000 0.852 202 G HN 0.252 nan 8.290 nan 0.000 0.531 203 R N -0.219 120.160 120.500 -0.202 0.000 2.355 203 R HA 0.043 4.383 4.340 0.000 0.000 0.219 203 R C 1.968 177.729 176.300 -0.899 0.000 1.107 203 R CA 0.282 55.930 56.100 -0.754 0.000 1.021 203 R CB -0.166 29.526 30.300 -1.013 0.000 0.852 203 R HN 0.489 nan 8.270 nan 0.000 0.475 204 I N 0.655 120.915 120.570 -0.517 0.000 2.756 204 I HA -0.214 3.956 4.170 0.000 0.000 0.262 204 I C 1.244 177.238 176.117 -0.205 0.000 1.225 204 I CA 1.155 62.355 61.300 -0.167 0.000 1.472 204 I CB 0.177 38.178 38.000 0.001 0.000 1.094 204 I HN 0.166 nan 8.210 nan 0.000 0.454 205 Q N 0.618 120.212 119.800 -0.343 0.000 2.320 205 Q HA -0.083 4.257 4.340 0.000 0.000 0.201 205 Q C 1.564 177.072 176.000 -0.819 0.000 0.910 205 Q CA 0.239 55.827 55.803 -0.359 0.000 0.946 205 Q CB -0.168 28.526 28.738 -0.074 0.000 1.062 205 Q HN 0.780 nan 8.270 nan 0.000 0.503 206 W N 1.161 121.682 121.300 -1.298 0.000 2.321 206 W HA -0.232 4.428 4.660 0.000 0.000 0.285 206 W C 1.205 177.408 176.519 -0.526 0.000 1.213 206 W CA 1.512 57.996 57.345 -1.435 0.000 1.205 206 W CB -1.153 27.656 29.460 -1.084 0.000 1.134 206 W HN 0.141 nan 8.180 nan 0.000 0.549 207 S N 0.784 115.759 115.700 -1.209 0.000 2.436 207 S HA -0.076 4.394 4.470 0.000 0.000 0.228 207 S C 0.397 174.772 174.600 -0.375 0.000 1.014 207 S CA 0.450 58.078 58.200 -0.953 0.000 0.950 207 S CB -0.789 61.747 63.200 -1.106 0.000 0.784 207 S HN 0.165 nan 8.310 nan 0.000 0.504 208 N N 1.780 120.338 118.700 -0.236 0.000 2.521 208 N HA 0.605 5.345 4.740 0.000 0.000 0.236 208 N C -1.267 174.326 175.510 0.139 0.000 1.067 208 N CA -0.226 52.808 53.050 -0.028 0.000 0.939 208 N CB 1.071 39.577 38.487 0.031 0.000 1.201 208 N HN 0.302 nan 8.380 nan 0.000 0.511 209 L N 1.612 122.889 121.223 0.089 0.000 2.493 209 L HA 0.398 4.738 4.340 0.000 0.000 0.265 209 L C -1.265 175.571 176.870 -0.056 0.000 0.954 209 L CA -0.778 54.119 54.840 0.096 0.000 0.844 209 L CB 2.017 44.187 42.059 0.185 0.000 1.302 209 L HN 0.288 nan 8.230 nan 0.000 0.405 210 Q N 3.186 122.897 119.800 -0.148 0.000 2.274 210 Q HA 0.637 4.978 4.340 0.000 0.000 0.256 210 Q C -1.714 173.913 176.000 -0.621 0.000 0.927 210 Q CA -0.254 55.288 55.803 -0.436 0.000 0.939 210 Q CB 1.484 29.816 28.738 -0.678 0.000 1.201 210 Q HN 0.513 nan 8.270 nan 0.000 0.426 211 V N 5.684 125.237 119.914 -0.601 0.000 2.384 211 V HA 0.445 4.566 4.120 0.000 0.000 0.287 211 V C -0.803 174.922 176.094 -0.614 0.000 1.020 211 V CA -0.625 61.367 62.300 -0.514 0.000 0.850 211 V CB 0.584 32.246 31.823 -0.268 0.000 0.987 211 V HN 0.656 nan 8.190 nan 0.000 0.436 212 F N 2.562 122.328 119.950 -0.307 0.000 2.361 212 F HA 0.380 4.907 4.527 0.000 0.000 0.364 212 F C 0.538 176.166 175.800 -0.287 0.000 1.120 212 F CA -0.974 56.852 58.000 -0.291 0.000 1.102 212 F CB 0.993 39.792 39.000 -0.336 0.000 1.183 212 F HN 0.430 nan 8.300 nan 0.000 0.476 213 D N 3.335 123.706 120.400 -0.049 0.000 2.352 213 D HA 0.367 5.007 4.640 0.000 0.000 0.245 213 D C 0.091 176.298 176.300 -0.156 0.000 1.224 213 D CA 0.186 54.125 54.000 -0.103 0.000 0.879 213 D CB 1.075 41.840 40.800 -0.058 0.000 1.057 213 D HN 0.621 nan 8.370 nan 0.000 0.491 214 A N 4.639 127.301 122.820 -0.264 0.000 2.701 214 A HA 0.171 4.492 4.320 0.000 0.000 0.297 214 A C 1.560 179.096 177.584 -0.081 0.000 1.197 214 A CA -0.411 51.406 52.037 -0.366 0.000 0.963 214 A CB 0.092 18.655 19.000 -0.729 0.000 1.175 214 A HN 0.524 nan 8.150 nan 0.000 0.531 215 R N 0.239 120.708 120.500 -0.052 0.000 2.235 215 R HA -0.072 4.268 4.340 0.000 0.000 0.213 215 R C 1.944 178.210 176.300 -0.057 0.000 1.059 215 R CA 1.372 57.456 56.100 -0.027 0.000 0.997 215 R CB -0.017 30.293 30.300 0.015 0.000 0.884 215 R HN 0.630 nan 8.270 nan 0.000 0.462 216 S N -0.142 115.550 115.700 -0.014 0.000 2.461 216 S HA -0.062 4.408 4.470 0.000 0.000 0.228 216 S C 1.272 175.898 174.600 0.044 0.000 1.005 216 S CA -0.210 58.002 58.200 0.019 0.000 0.942 216 S CB -0.393 62.841 63.200 0.056 0.000 0.776 216 S HN 0.320 nan 8.310 nan 0.000 0.514 217 C N 3.191 122.532 119.300 0.068 0.000 2.641 217 C HA 0.401 4.861 4.460 0.000 0.000 0.412 217 C C 1.872 176.907 174.990 0.076 0.000 1.312 217 C CA 0.623 59.731 59.018 0.149 0.000 1.838 217 C CB 0.240 28.132 27.740 0.253 0.000 2.682 217 C HN 0.734 nan 8.230 nan 0.000 0.627 218 S N 1.379 117.218 115.700 0.233 0.000 2.617 218 S HA 0.185 4.655 4.470 0.000 0.000 0.278 218 S C 0.222 175.030 174.600 0.346 0.000 1.082 218 S CA 0.195 58.603 58.200 0.347 0.000 1.228 218 S CB 0.019 63.342 63.200 0.205 0.000 1.130 218 S HN 0.875 nan 8.310 nan 0.000 0.621 219 T N 0.639 115.331 114.554 0.230 0.000 2.908 219 T HA 0.731 5.081 4.350 0.000 0.000 0.290 219 T C 1.243 175.976 174.700 0.055 0.000 1.034 219 T CA 0.097 62.265 62.100 0.114 0.000 1.010 219 T CB 1.460 70.386 68.868 0.096 0.000 1.068 219 T HN 0.295 nan 8.240 nan 0.000 0.481 220 A N 3.261 126.077 122.820 -0.006 0.000 1.917 220 A HA -0.101 4.220 4.320 0.000 0.000 0.219 220 A C 2.196 179.678 177.584 -0.171 0.000 1.182 220 A CA 2.407 54.408 52.037 -0.059 0.000 0.633 220 A CB -0.745 18.306 19.000 0.084 0.000 0.819 220 A HN 0.915 nan 8.150 nan 0.000 0.448 221 R N -0.062 120.447 120.500 0.016 0.000 2.083 221 R HA -0.185 4.155 4.340 0.000 0.000 0.237 221 R C 2.007 178.293 176.300 -0.023 0.000 1.137 221 R CA 1.990 58.086 56.100 -0.007 0.000 0.951 221 R CB -0.399 30.025 30.300 0.207 0.000 0.851 221 R HN 0.669 nan 8.270 nan 0.000 0.434 222 E N 0.014 120.235 120.200 0.036 0.000 2.118 222 E HA -0.230 4.120 4.350 0.000 0.000 0.195 222 E C 2.100 178.777 176.600 0.130 0.000 0.992 222 E CA 1.819 58.260 56.400 0.068 0.000 0.804 222 E CB -0.104 29.679 29.700 0.139 0.000 0.741 222 E HN 0.447 nan 8.360 nan 0.000 0.458 223 M N -0.096 119.552 119.600 0.080 0.000 2.080 223 M HA -0.179 4.301 4.480 0.000 0.000 0.260 223 M C 2.235 178.619 176.300 0.139 0.000 1.068 223 M CA 1.365 56.726 55.300 0.101 0.000 1.109 223 M CB -0.413 32.028 32.600 -0.265 0.000 1.342 223 M HN 0.129 nan 8.290 nan 0.000 0.405 224 F N 1.677 121.448 119.950 -0.297 0.000 2.091 224 F HA -0.253 4.274 4.527 0.001 0.000 0.299 224 F C 2.067 177.785 175.800 -0.136 0.000 1.103 224 F CA 2.066 59.856 58.000 -0.351 0.000 1.228 224 F CB -0.451 38.059 39.000 -0.815 0.000 0.984 224 F HN 0.175 nan 8.300 nan 0.000 0.477 225 E N -1.238 118.822 120.200 -0.235 0.000 2.110 225 E HA -0.237 4.114 4.350 0.000 0.000 0.193 225 E C 2.181 178.616 176.600 -0.275 0.000 0.988 225 E CA 1.306 57.510 56.400 -0.326 0.000 0.804 225 E CB -0.428 29.149 29.700 -0.206 0.000 0.745 225 E HN 0.519 nan 8.360 nan 0.000 0.458 226 H N 0.336 119.347 119.070 -0.098 0.000 2.389 226 H HA -0.045 4.511 4.556 0.000 0.000 0.299 226 H C 2.204 177.434 175.328 -0.164 0.000 1.081 226 H CA 1.040 57.025 56.048 -0.106 0.000 1.345 226 H CB -0.001 29.801 29.762 0.065 0.000 1.393 226 H HN 0.193 nan 8.280 nan 0.000 0.520 227 I N -0.305 120.289 120.570 0.041 0.000 2.252 227 I HA -0.267 3.904 4.170 0.000 0.000 0.245 227 I C 2.608 178.641 176.117 -0.139 0.000 1.102 227 I CA 0.694 61.984 61.300 -0.016 0.000 1.385 227 I CB -0.266 37.744 38.000 0.017 0.000 1.064 227 I HN 0.197 nan 8.210 nan 0.000 0.414 228 C N 0.322 119.447 119.300 -0.292 0.000 2.425 228 C HA -0.154 4.307 4.460 0.000 0.000 0.277 228 C C 2.958 177.839 174.990 -0.182 0.000 1.280 228 C CA 0.843 59.684 59.018 -0.295 0.000 1.744 228 C CB -1.225 26.236 27.740 -0.466 0.000 1.989 228 C HN 0.450 nan 8.230 nan 0.000 0.491 229 R N -0.205 120.167 120.500 -0.212 0.000 2.075 229 R HA -0.152 4.189 4.340 0.000 0.000 0.232 229 R C 2.198 178.373 176.300 -0.207 0.000 1.126 229 R CA 1.691 57.656 56.100 -0.226 0.000 0.963 229 R CB -0.562 29.536 30.300 -0.338 0.000 0.858 229 R HN 0.773 nan 8.270 nan 0.000 0.435 230 H N -0.675 118.163 119.070 -0.386 0.000 2.290 230 H HA -0.118 4.438 4.556 0.000 0.000 0.298 230 H C 1.890 177.251 175.328 0.055 0.000 1.087 230 H CA 1.826 57.749 56.048 -0.209 0.000 1.291 230 H CB 0.147 29.822 29.762 -0.144 0.000 1.369 230 H HN 0.055 nan 8.280 nan 0.000 0.492 231 V N 0.917 120.895 119.914 0.106 0.000 2.287 231 V HA -0.276 3.844 4.120 0.000 0.000 0.248 231 V C 2.610 178.758 176.094 0.091 0.000 1.053 231 V CA 2.193 64.518 62.300 0.041 0.000 1.027 231 V CB -0.656 31.134 31.823 -0.056 0.000 0.646 231 V HN 0.405 nan 8.190 nan 0.000 0.447 232 R N -1.223 119.315 120.500 0.064 0.000 2.096 232 R HA -0.245 4.096 4.340 0.000 0.000 0.240 232 R C 2.373 178.747 176.300 0.124 0.000 1.139 232 R CA 2.412 58.549 56.100 0.063 0.000 0.952 232 R CB -0.481 29.837 30.300 0.030 0.000 0.854 232 R HN 0.667 nan 8.270 nan 0.000 0.436 233 Y N 0.583 120.936 120.300 0.089 0.000 2.089 233 Y HA -0.202 4.348 4.550 0.000 0.000 0.282 233 Y C 2.400 178.397 175.900 0.161 0.000 1.139 233 Y CA 2.153 60.344 58.100 0.153 0.000 1.123 233 Y CB -0.439 38.194 38.460 0.288 0.000 0.980 233 Y HN -0.002 nan 8.280 nan 0.000 0.493 234 S N -0.331 115.549 115.700 0.299 0.000 2.370 234 S HA -0.214 4.256 4.470 0.000 0.000 0.226 234 S C 1.898 176.527 174.600 0.049 0.000 1.033 234 S CA 1.753 60.057 58.200 0.174 0.000 1.011 234 S CB -0.728 62.684 63.200 0.354 0.000 0.852 234 S HN 0.610 nan 8.310 nan 0.000 0.457 235 T N 1.642 116.231 114.554 0.059 0.000 2.684 235 T HA -0.134 4.216 4.350 0.000 0.000 0.267 235 T C 1.059 175.755 174.700 -0.008 0.000 1.036 235 T CA 1.331 63.454 62.100 0.038 0.000 1.148 235 T CB -0.640 68.248 68.868 0.033 0.000 0.863 235 T HN 0.488 nan 8.240 nan 0.000 0.436 236 N N 1.687 120.356 118.700 -0.053 0.000 2.716 236 N HA -0.273 4.467 4.740 0.000 0.000 0.250 236 N C 0.108 175.588 175.510 -0.050 0.000 1.033 236 N CA 0.957 53.954 53.050 -0.088 0.000 0.727 236 N CB -2.150 36.241 38.487 -0.159 0.000 0.950 236 N HN 0.648 nan 8.380 nan 0.000 0.541 237 N N -1.704 116.979 118.700 -0.028 0.000 2.735 237 N HA -0.255 4.486 4.740 0.000 0.000 0.248 237 N C 0.925 176.417 175.510 -0.030 0.000 1.083 237 N CA 1.461 54.496 53.050 -0.025 0.000 0.703 237 N CB -1.256 37.215 38.487 -0.026 0.000 1.005 237 N HN 1.125 nan 8.380 nan 0.000 0.550 238 G N -0.480 108.308 108.800 -0.021 0.000 2.313 238 G HA2 -0.264 3.696 3.960 0.000 0.000 0.215 238 G HA3 -0.264 3.696 3.960 0.000 0.000 0.215 238 G C -0.057 174.834 174.900 -0.016 0.000 1.023 238 G CA 0.160 45.247 45.100 -0.021 0.000 0.626 238 G HN 0.447 nan 8.290 nan 0.000 0.503 239 N N 2.538 121.215 118.700 -0.038 0.000 2.968 239 N HA 0.387 5.127 4.740 0.000 0.000 0.271 239 N C 0.644 176.133 175.510 -0.035 0.000 1.174 239 N CA -0.235 52.779 53.050 -0.061 0.000 1.096 239 N CB 0.108 38.551 38.487 -0.074 0.000 1.403 239 N HN 0.361 nan 8.380 nan 0.000 0.522 240 I N 1.233 121.816 120.570 0.023 0.000 2.919 240 I HA -0.127 4.043 4.170 0.000 0.000 0.303 240 I C 1.031 177.269 176.117 0.202 0.000 1.221 240 I CA 0.743 62.124 61.300 0.136 0.000 1.444 240 I CB -0.227 37.941 38.000 0.281 0.000 1.331 240 I HN 0.201 nan 8.210 nan 0.000 0.572 241 R N 3.745 124.345 120.500 0.166 0.000 2.670 241 R HA 0.461 4.801 4.340 0.000 0.000 0.289 241 R C -0.474 175.986 176.300 0.266 0.000 0.965 241 R CA -0.729 55.487 56.100 0.193 0.000 0.899 241 R CB 1.998 32.248 30.300 -0.083 0.000 1.173 241 R HN 0.549 nan 8.270 nan 0.000 0.456 242 S N 1.074 116.929 115.700 0.258 0.000 2.545 242 S HA 0.650 5.120 4.470 0.000 0.000 0.275 242 S C -0.484 174.211 174.600 0.158 0.000 1.299 242 S CA -0.433 57.840 58.200 0.122 0.000 1.048 242 S CB 1.514 64.710 63.200 -0.007 0.000 0.938 242 S HN 0.702 nan 8.310 nan 0.000 0.496 243 A N 2.434 125.318 122.820 0.106 0.000 2.601 243 A HA 0.822 5.142 4.320 0.000 0.000 0.291 243 A C -1.489 176.048 177.584 -0.078 0.000 1.075 243 A CA -0.647 51.359 52.037 -0.052 0.000 0.671 243 A CB 1.100 20.072 19.000 -0.046 0.000 1.277 243 A HN 0.805 nan 8.150 nan 0.000 0.417 244 I N 0.286 120.693 120.570 -0.273 0.000 2.692 244 I HA 0.603 4.773 4.170 0.000 0.000 0.293 244 I C -1.208 174.811 176.117 -0.165 0.000 1.200 244 I CA -0.139 61.110 61.300 -0.086 0.000 1.036 244 I CB 2.408 40.382 38.000 -0.044 0.000 1.258 244 I HN 0.594 nan 8.210 nan 0.000 0.421 245 T N 6.371 120.891 114.554 -0.056 0.000 2.772 245 T HA 0.413 4.763 4.350 0.000 0.000 0.288 245 T C -0.581 173.880 174.700 -0.397 0.000 0.994 245 T CA -0.314 61.663 62.100 -0.205 0.000 0.951 245 T CB 1.244 69.978 68.868 -0.223 0.000 0.933 245 T HN 0.261 nan 8.240 nan 0.000 0.447 246 V N 5.313 125.004 119.914 -0.373 0.000 2.383 246 V HA 0.463 4.583 4.120 0.000 0.000 0.275 246 V C -0.321 175.599 176.094 -0.290 0.000 1.036 246 V CA -0.674 61.443 62.300 -0.306 0.000 0.889 246 V CB 0.124 31.765 31.823 -0.304 0.000 0.985 246 V HN 0.666 nan 8.190 nan 0.000 0.459 247 F N 5.052 125.041 119.950 0.064 0.000 2.411 247 F HA 0.540 5.067 4.527 0.001 0.000 0.324 247 F C -1.885 173.950 175.800 0.058 0.000 1.086 247 F CA -2.753 55.264 58.000 0.028 0.000 1.028 247 F CB 0.469 39.541 39.000 0.120 0.000 1.284 247 F HN 0.297 nan 8.300 nan 0.000 0.501 248 P HA -0.056 nan 4.420 nan 0.000 0.261 248 P C -0.975 176.290 177.300 -0.060 0.000 1.165 248 P CA 0.180 63.186 63.100 -0.157 0.000 0.759 248 P CB 0.094 31.382 31.700 -0.687 0.000 0.772 249 Q N 3.046 122.704 119.800 -0.236 0.000 2.474 249 Q HA 0.095 4.435 4.340 0.000 0.000 0.256 249 Q C 0.245 176.051 176.000 -0.324 0.000 1.048 249 Q CA -0.526 54.864 55.803 -0.689 0.000 0.922 249 Q CB 0.661 28.718 28.738 -1.134 0.000 1.288 249 Q HN 0.346 nan 8.270 nan 0.000 0.484 250 R N 1.035 121.354 120.500 -0.302 0.000 2.537 250 R HA 0.032 4.372 4.340 0.000 0.000 0.280 250 R C 0.021 176.238 176.300 -0.139 0.000 1.058 250 R CA 0.662 56.690 56.100 -0.119 0.000 1.057 250 R CB 0.591 30.837 30.300 -0.089 0.000 0.973 250 R HN 0.963 nan 8.270 nan 0.000 0.438 251 S N 2.550 118.209 115.700 -0.068 0.000 2.696 251 S HA -0.042 4.428 4.470 0.000 0.000 0.172 251 S C 0.930 175.487 174.600 -0.070 0.000 0.767 251 S CA 0.234 58.380 58.200 -0.090 0.000 0.856 251 S CB -0.223 62.911 63.200 -0.109 0.000 0.782 251 S HN 0.816 nan 8.310 nan 0.000 0.582 252 D N 0.516 120.878 120.400 -0.063 0.000 2.349 252 D HA 0.252 4.893 4.640 0.000 0.000 0.215 252 D C 1.407 177.713 176.300 0.010 0.000 1.016 252 D CA 0.872 54.852 54.000 -0.034 0.000 0.870 252 D CB -0.374 40.396 40.800 -0.051 0.000 0.917 252 D HN 0.925 nan 8.370 nan 0.000 0.524 253 G N 0.672 109.493 108.800 0.035 0.000 2.157 253 G HA2 -0.309 3.652 3.960 0.000 0.000 0.239 253 G HA3 -0.309 3.652 3.960 0.000 0.000 0.239 253 G C 0.971 175.913 174.900 0.070 0.000 0.982 253 G CA 0.395 45.518 45.100 0.038 0.000 0.650 253 G HN 0.453 nan 8.290 nan 0.000 0.527 254 K N -0.853 119.641 120.400 0.157 0.000 2.391 254 K HA 0.196 4.516 4.320 0.000 0.000 0.197 254 K C 0.404 177.096 176.600 0.153 0.000 1.087 254 K CA 0.183 56.565 56.287 0.157 0.000 1.012 254 K CB 0.426 33.044 32.500 0.197 0.000 0.925 254 K HN 0.417 nan 8.250 nan 0.000 0.547 255 H N 1.175 120.269 119.070 0.039 0.000 2.499 255 H HA 0.221 4.777 4.556 0.000 0.000 0.262 255 H C -1.076 174.336 175.328 0.139 0.000 1.363 255 H CA -0.865 55.228 56.048 0.074 0.000 1.072 255 H CB -0.280 29.545 29.762 0.104 0.000 1.602 255 H HN -0.033 nan 8.280 nan 0.000 0.526 256 D N 0.420 120.923 120.400 0.171 0.000 2.351 256 D HA 0.069 4.710 4.640 0.000 0.000 0.251 256 D C -0.203 176.196 176.300 0.165 0.000 1.137 256 D CA 0.069 54.180 54.000 0.185 0.000 0.879 256 D CB 0.610 41.480 40.800 0.115 0.000 1.181 256 D HN 0.162 nan 8.370 nan 0.000 0.448 257 F N 2.936 122.927 119.950 0.068 0.000 2.361 257 F HA 0.350 4.877 4.527 0.000 0.000 0.364 257 F C 0.809 176.654 175.800 0.075 0.000 1.117 257 F CA -0.607 57.405 58.000 0.021 0.000 1.071 257 F CB 0.710 39.705 39.000 -0.008 0.000 1.188 257 F HN 0.188 nan 8.300 nan 0.000 0.464 258 R N 1.633 122.240 120.500 0.179 0.000 2.663 258 R HA 0.752 5.092 4.340 0.000 0.000 0.267 258 R C -2.297 174.183 176.300 0.301 0.000 1.038 258 R CA -1.049 55.201 56.100 0.251 0.000 0.886 258 R CB 1.290 31.725 30.300 0.224 0.000 1.249 258 R HN 0.187 nan 8.270 nan 0.000 0.463 259 V N 2.144 122.243 119.914 0.309 0.000 2.465 259 V HA 0.139 4.260 4.120 0.000 0.000 0.279 259 V C 0.038 176.402 176.094 0.451 0.000 1.045 259 V CA -0.420 62.074 62.300 0.324 0.000 0.938 259 V CB 0.930 32.889 31.823 0.226 0.000 0.986 259 V HN 0.759 nan 8.190 nan 0.000 0.467 260 W N 1.830 123.236 121.300 0.176 0.000 2.518 260 W HA 0.088 4.748 4.660 0.000 0.000 0.273 260 W C 0.956 177.655 176.519 0.300 0.000 1.247 260 W CA -0.620 56.919 57.345 0.323 0.000 1.288 260 W CB -0.794 28.964 29.460 0.497 0.000 1.107 260 W HN 0.508 nan 8.180 nan 0.000 0.586 261 N N 0.331 119.212 118.700 0.301 0.000 2.458 261 N HA 0.214 4.955 4.740 0.000 0.000 0.258 261 N C 1.171 176.578 175.510 -0.172 0.000 1.219 261 N CA 0.747 53.649 53.050 -0.246 0.000 0.902 261 N CB 0.821 39.194 38.487 -0.189 0.000 1.076 261 N HN -0.040 nan 8.380 nan 0.000 0.455 262 A N 2.434 125.085 122.820 -0.281 0.000 1.898 262 A HA -0.116 4.205 4.320 0.000 0.000 0.216 262 A C 0.435 177.925 177.584 -0.157 0.000 1.181 262 A CA 1.373 53.331 52.037 -0.131 0.000 0.620 262 A CB -0.075 18.875 19.000 -0.083 0.000 0.819 262 A HN 0.746 nan 8.150 nan 0.000 0.442 263 Q N -1.658 118.018 119.800 -0.207 0.000 2.423 263 Q HA 0.563 4.903 4.340 0.000 0.000 0.278 263 Q C 0.308 176.159 176.000 -0.248 0.000 1.097 263 Q CA -0.636 55.038 55.803 -0.216 0.000 0.809 263 Q CB 1.917 30.555 28.738 -0.166 0.000 1.391 263 Q HN 0.272 nan 8.270 nan 0.000 0.428 264 L N 0.567 121.641 121.223 -0.248 0.000 1.989 264 L HA -0.041 4.299 4.340 0.000 0.000 0.211 264 L C 0.647 177.348 176.870 -0.282 0.000 1.071 264 L CA 1.389 56.096 54.840 -0.221 0.000 0.749 264 L CB -0.069 41.849 42.059 -0.234 0.000 0.890 264 L HN 0.519 nan 8.230 nan 0.000 0.431 265 I N -0.319 119.998 120.570 -0.422 0.000 2.354 265 I HA 0.357 4.528 4.170 0.000 0.000 0.292 265 I C -0.089 175.400 176.117 -1.047 0.000 0.989 265 I CA -0.335 60.562 61.300 -0.671 0.000 1.188 265 I CB 1.654 39.205 38.000 -0.750 0.000 1.342 265 I HN 0.121 nan 8.210 nan 0.000 0.457 266 R N 4.516 124.516 120.500 -0.833 0.000 2.629 266 R HA 0.406 4.746 4.340 0.000 0.000 0.266 266 R C -1.751 174.313 176.300 -0.393 0.000 1.051 266 R CA -0.698 55.000 56.100 -0.671 0.000 0.895 266 R CB 1.785 31.901 30.300 -0.307 0.000 1.246 266 R HN 0.315 nan 8.270 nan 0.000 0.459 267 Y N 0.911 121.194 120.300 -0.028 0.000 2.301 267 Y HA 0.464 5.014 4.550 0.000 0.000 0.328 267 Y C 0.892 176.811 175.900 0.033 0.000 1.242 267 Y CA -0.177 57.966 58.100 0.072 0.000 1.323 267 Y CB 1.027 39.644 38.460 0.262 0.000 1.266 267 Y HN 0.678 nan 8.280 nan 0.000 0.527 268 A N 0.890 123.814 122.820 0.173 0.000 2.304 268 A HA 0.676 4.996 4.320 0.000 0.000 0.271 268 A C 0.361 177.789 177.584 -0.259 0.000 1.091 268 A CA 0.156 52.107 52.037 -0.143 0.000 0.812 268 A CB -0.073 18.741 19.000 -0.310 0.000 1.056 268 A HN 0.908 nan 8.150 nan 0.000 0.489 269 G N 0.155 108.717 108.800 -0.396 0.000 2.683 269 G HA2 0.572 4.532 3.960 0.000 0.000 0.299 269 G HA3 0.572 4.532 3.960 0.000 0.000 0.299 269 G C -1.321 173.405 174.900 -0.290 0.000 1.432 269 G CA -0.247 44.699 45.100 -0.257 0.000 0.978 269 G HN 0.513 nan 8.290 nan 0.000 0.513 270 Y N 0.401 120.761 120.300 0.099 0.000 2.429 270 Y HA 0.501 5.051 4.550 0.000 0.000 0.342 270 Y C 0.469 176.437 175.900 0.113 0.000 1.004 270 Y CA -0.961 57.220 58.100 0.135 0.000 1.075 270 Y CB 2.342 40.943 38.460 0.235 0.000 1.214 270 Y HN 0.444 nan 8.280 nan 0.000 0.455 271 Q N 3.939 123.895 119.800 0.261 0.000 2.390 271 Q HA 0.325 4.666 4.340 0.000 0.000 0.249 271 Q C -0.813 175.273 176.000 0.144 0.000 0.996 271 Q CA -0.837 55.060 55.803 0.157 0.000 0.899 271 Q CB 0.571 29.375 28.738 0.109 0.000 1.216 271 Q HN 0.592 nan 8.270 nan 0.000 0.465 272 M N 4.481 124.143 119.600 0.104 0.000 2.232 272 M HA 0.127 4.607 4.480 0.000 0.000 0.321 272 M C -1.609 174.694 176.300 0.005 0.000 1.101 272 M CA -2.262 53.059 55.300 0.035 0.000 1.181 272 M CB -0.574 32.033 32.600 0.013 0.000 1.432 272 M HN 0.405 nan 8.290 nan 0.000 0.457 273 P HA -0.181 nan 4.420 nan 0.000 0.216 273 P C 0.570 177.859 177.300 -0.020 0.000 1.153 273 P CA 1.434 64.513 63.100 -0.035 0.000 0.858 273 P CB -0.044 31.616 31.700 -0.066 0.000 0.789 274 D N -1.800 118.587 120.400 -0.020 0.000 2.352 274 D HA 0.012 4.652 4.640 0.000 0.000 0.232 274 D C 1.444 177.744 176.300 0.000 0.000 1.055 274 D CA 0.872 54.865 54.000 -0.012 0.000 0.891 274 D CB -0.839 39.952 40.800 -0.015 0.000 0.897 274 D HN 0.282 nan 8.370 nan 0.000 0.529 275 G N 0.367 109.172 108.800 0.008 0.000 2.268 275 G HA2 -0.333 3.627 3.960 0.000 0.000 0.240 275 G HA3 -0.333 3.627 3.960 0.000 0.000 0.240 275 G C 0.545 175.460 174.900 0.025 0.000 1.010 275 G CA 0.555 45.666 45.100 0.018 0.000 0.618 275 G HN 0.849 nan 8.290 nan 0.000 0.516 276 S N 0.056 115.768 115.700 0.021 0.000 2.606 276 S HA 0.654 5.124 4.470 0.000 0.000 0.257 276 S C 0.240 174.864 174.600 0.040 0.000 1.327 276 S CA 0.056 58.270 58.200 0.025 0.000 0.984 276 S CB 1.246 64.456 63.200 0.017 0.000 0.941 276 S HN 0.776 nan 8.310 nan 0.000 0.576 277 I N 0.682 121.275 120.570 0.038 0.000 2.466 277 I HA 0.442 4.612 4.170 0.000 0.000 0.289 277 I C 0.173 176.317 176.117 0.046 0.000 1.026 277 I CA -0.529 60.803 61.300 0.052 0.000 1.078 277 I CB 1.924 39.942 38.000 0.030 0.000 1.249 277 I HN 0.648 nan 8.210 nan 0.000 0.429 278 R N 4.501 125.067 120.500 0.110 0.000 2.338 278 R HA 0.692 5.032 4.340 0.000 0.000 0.317 278 R C 0.209 176.578 176.300 0.114 0.000 0.968 278 R CA 0.381 56.555 56.100 0.122 0.000 0.849 278 R CB 1.431 31.855 30.300 0.207 0.000 1.128 278 R HN 0.935 nan 8.270 nan 0.000 0.448 279 G N 2.920 111.705 108.800 -0.025 0.000 2.466 279 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 279 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 279 G C -1.180 173.462 174.900 -0.430 0.000 1.237 279 G CA -0.160 44.889 45.100 -0.085 0.000 0.954 279 G HN 0.620 nan 8.290 nan 0.000 0.580 280 D N 1.756 122.048 120.400 -0.180 0.000 2.393 280 D HA 0.515 5.156 4.640 0.000 0.000 0.232 280 D C -0.831 175.426 176.300 -0.072 0.000 1.192 280 D CA -1.887 52.022 54.000 -0.152 0.000 0.882 280 D CB 1.170 42.165 40.800 0.324 0.000 1.038 280 D HN -0.004 nan 8.370 nan 0.000 0.499 281 P HA -0.146 nan 4.420 nan 0.000 0.217 281 P C 0.924 178.245 177.300 0.034 0.000 1.148 281 P CA 1.178 64.261 63.100 -0.028 0.000 0.828 281 P CB 0.262 31.943 31.700 -0.031 0.000 0.783 282 A N -1.111 121.749 122.820 0.068 0.000 2.121 282 A HA -0.148 4.172 4.320 0.000 0.000 0.218 282 A C 1.983 179.636 177.584 0.115 0.000 1.154 282 A CA 1.190 53.289 52.037 0.104 0.000 0.679 282 A CB -1.228 17.853 19.000 0.134 0.000 0.795 282 A HN 0.220 nan 8.150 nan 0.000 0.458 283 N N -0.162 118.599 118.700 0.103 0.000 2.238 283 N HA 0.122 4.862 4.740 0.000 0.000 0.222 283 N C 0.939 176.495 175.510 0.076 0.000 1.133 283 N CA 0.103 53.217 53.050 0.107 0.000 0.854 283 N CB 0.327 38.875 38.487 0.101 0.000 1.041 283 N HN 0.190 nan 8.380 nan 0.000 0.510 284 V N 0.953 120.897 119.914 0.051 0.000 2.261 284 V HA -0.227 3.893 4.120 0.000 0.000 0.246 284 V C 2.323 178.430 176.094 0.021 0.000 1.047 284 V CA 1.760 64.074 62.300 0.024 0.000 1.015 284 V CB -0.493 31.354 31.823 0.040 0.000 0.642 284 V HN 0.425 nan 8.190 nan 0.000 0.446 285 E N -0.446 119.782 120.200 0.047 0.000 2.058 285 E HA -0.292 4.059 4.350 0.000 0.000 0.194 285 E C 2.113 178.637 176.600 -0.127 0.000 0.997 285 E CA 1.903 58.304 56.400 0.002 0.000 0.801 285 E CB -0.236 29.515 29.700 0.085 0.000 0.746 285 E HN 0.549 nan 8.360 nan 0.000 0.450 286 F N 1.436 121.247 119.950 -0.230 0.000 2.134 286 F HA -0.203 4.324 4.527 0.001 0.000 0.299 286 F C 2.583 178.223 175.800 -0.266 0.000 1.097 286 F CA 2.216 59.996 58.000 -0.366 0.000 1.264 286 F CB -0.654 38.212 39.000 -0.224 0.000 1.001 286 F HN 0.128 nan 8.300 nan 0.000 0.479 287 T N -2.230 112.251 114.554 -0.122 0.000 2.746 287 T HA -0.227 4.123 4.350 0.000 0.000 0.267 287 T C 1.951 176.550 174.700 -0.168 0.000 1.039 287 T CA 1.207 63.194 62.100 -0.188 0.000 1.142 287 T CB -0.613 68.169 68.868 -0.142 0.000 0.866 287 T HN 0.236 nan 8.240 nan 0.000 0.444 288 Q N 0.702 120.426 119.800 -0.126 0.000 2.112 288 Q HA -0.057 4.283 4.340 0.000 0.000 0.206 288 Q C 2.313 178.215 176.000 -0.163 0.000 0.987 288 Q CA 1.337 57.090 55.803 -0.082 0.000 0.858 288 Q CB -0.812 27.891 28.738 -0.058 0.000 0.905 288 Q HN 0.571 nan 8.270 nan 0.000 0.420 289 L N 0.034 121.063 121.223 -0.324 0.000 2.017 289 L HA -0.194 4.147 4.340 0.000 0.000 0.208 289 L C 2.436 179.109 176.870 -0.329 0.000 1.073 289 L CA 1.846 56.462 54.840 -0.372 0.000 0.745 289 L CB -0.936 40.749 42.059 -0.624 0.000 0.894 289 L HN 0.221 nan 8.230 nan 0.000 0.432 290 C N -0.356 118.679 119.300 -0.441 0.000 2.413 290 C HA -0.179 4.281 4.460 0.000 0.000 0.277 290 C C 2.724 177.706 174.990 -0.013 0.000 1.265 290 C CA 0.980 59.818 59.018 -0.300 0.000 1.752 290 C CB -1.093 26.380 27.740 -0.444 0.000 1.998 290 C HN 0.594 nan 8.230 nan 0.000 0.489 291 I N 1.094 121.691 120.570 0.045 0.000 2.179 291 I HA -0.186 3.985 4.170 0.000 0.000 0.242 291 I C 2.155 178.269 176.117 -0.005 0.000 1.088 291 I CA 1.596 62.953 61.300 0.094 0.000 1.357 291 I CB -0.622 37.430 38.000 0.087 0.000 1.051 291 I HN 0.307 nan 8.210 nan 0.000 0.409 292 D N 0.962 121.324 120.400 -0.063 0.000 2.149 292 D HA -0.151 4.490 4.640 0.000 0.000 0.198 292 D C 2.073 178.301 176.300 -0.121 0.000 0.990 292 D CA 1.288 55.228 54.000 -0.100 0.000 0.839 292 D CB -0.248 40.473 40.800 -0.133 0.000 0.948 292 D HN 0.344 nan 8.370 nan 0.000 0.460 293 L N -0.773 120.378 121.223 -0.119 0.000 2.599 293 L HA 0.164 4.504 4.340 0.000 0.000 0.230 293 L C 1.660 178.483 176.870 -0.078 0.000 1.141 293 L CA 0.492 55.259 54.840 -0.123 0.000 0.877 293 L CB -0.011 41.963 42.059 -0.141 0.000 1.009 293 L HN 0.180 nan 8.230 nan 0.000 0.447 294 G N -1.463 107.312 108.800 -0.041 0.000 2.253 294 G HA2 -0.290 3.670 3.960 0.000 0.000 0.209 294 G HA3 -0.290 3.670 3.960 0.000 0.000 0.209 294 G C -0.085 174.828 174.900 0.023 0.000 0.997 294 G CA -0.412 44.671 45.100 -0.029 0.000 0.640 294 G HN 0.257 nan 8.290 nan 0.000 0.496 295 W N 4.210 125.434 121.300 -0.125 0.000 2.264 295 W HA 0.537 5.197 4.660 0.000 0.000 0.331 295 W C 0.903 177.370 176.519 -0.088 0.000 1.364 295 W CA 0.298 57.579 57.345 -0.106 0.000 1.253 295 W CB 0.531 29.926 29.460 -0.108 0.000 1.215 295 W HN 0.370 nan 8.180 nan 0.000 0.561 296 K N 8.507 128.500 120.400 -0.678 0.000 2.248 296 K HA 0.440 4.760 4.320 0.000 0.000 0.281 296 K C -2.369 173.546 176.600 -1.142 0.000 1.054 296 K CA -1.639 54.256 56.287 -0.654 0.000 0.903 296 K CB 1.020 33.266 32.500 -0.423 0.000 1.077 296 K HN 0.193 nan 8.250 nan 0.000 0.474 297 P HA -0.031 nan 4.420 nan 0.000 0.268 297 P C -0.659 176.131 177.300 -0.849 0.000 1.204 297 P CA -0.239 62.329 63.100 -0.888 0.000 0.768 297 P CB 0.782 31.900 31.700 -0.969 0.000 0.842 298 K N 1.766 121.812 120.400 -0.591 0.000 2.374 298 K HA 0.043 4.364 4.320 0.000 0.000 0.196 298 K C 0.150 176.600 176.600 -0.249 0.000 1.023 298 K CA -0.398 55.713 56.287 -0.294 0.000 1.103 298 K CB -0.468 31.995 32.500 -0.062 0.000 0.848 298 K HN 0.386 nan 8.250 nan 0.000 0.528 299 Y N 0.582 120.499 120.300 -0.639 0.000 3.037 299 Y HA -0.219 4.331 4.550 0.000 0.000 0.204 299 Y C 0.813 176.579 175.900 -0.224 0.000 1.275 299 Y CA 0.789 58.403 58.100 -0.810 0.000 1.066 299 Y CB -1.984 36.153 38.460 -0.538 0.000 1.305 299 Y HN 0.166 nan 8.280 nan 0.000 0.499 300 G N -0.506 108.394 108.800 0.168 0.000 2.533 300 G HA2 0.583 4.543 3.960 0.000 0.000 0.304 300 G HA3 0.583 4.543 3.960 0.000 0.000 0.304 300 G C 0.409 175.439 174.900 0.216 0.000 1.263 300 G CA -1.087 44.121 45.100 0.181 0.000 0.964 300 G HN 0.219 nan 8.290 nan 0.000 0.479 301 R N -0.509 119.991 120.500 0.000 0.000 2.120 301 R HA -0.013 4.327 4.340 0.000 0.000 0.234 301 R C -0.073 175.906 176.300 -0.535 0.000 1.123 301 R CA 1.150 57.081 56.100 -0.281 0.000 0.975 301 R CB -0.083 29.880 30.300 -0.560 0.000 0.866 301 R HN 0.382 nan 8.270 nan 0.000 0.446 302 F N 1.012 120.943 119.950 -0.032 0.000 2.542 302 F HA 0.263 4.790 4.527 0.000 0.000 0.323 302 F C -0.889 174.844 175.800 -0.113 0.000 1.411 302 F CA -1.314 56.406 58.000 -0.466 0.000 1.124 302 F CB 0.621 39.194 39.000 -0.713 0.000 1.331 302 F HN -0.289 nan 8.300 nan 0.000 0.560 303 D N 1.325 121.897 120.400 0.287 0.000 2.329 303 D HA 0.274 4.915 4.640 0.000 0.000 0.232 303 D C -0.017 176.534 176.300 0.420 0.000 1.088 303 D CA -0.151 54.082 54.000 0.388 0.000 0.835 303 D CB 2.358 43.441 40.800 0.472 0.000 1.078 303 D HN -0.047 nan 8.370 nan 0.000 0.495 304 V N 3.184 123.318 119.914 0.367 0.000 2.479 304 V HA 0.048 4.168 4.120 0.000 0.000 0.281 304 V C 1.029 177.133 176.094 0.017 0.000 1.031 304 V CA -0.598 61.802 62.300 0.168 0.000 1.038 304 V CB 0.695 32.571 31.823 0.088 0.000 0.981 304 V HN 0.377 nan 8.190 nan 0.000 0.478 305 V N 5.426 125.245 119.914 -0.158 0.000 3.096 305 V HA 0.414 4.534 4.120 0.000 0.000 0.306 305 V C -1.531 174.344 176.094 -0.365 0.000 1.088 305 V CA -1.191 60.836 62.300 -0.455 0.000 1.129 305 V CB 0.243 31.898 31.823 -0.279 0.000 1.014 305 V HN 0.764 nan 8.190 nan 0.000 0.486 306 P HA 0.316 nan 4.420 nan 0.000 0.277 306 P C -1.033 176.212 177.300 -0.091 0.000 1.271 306 P CA -0.667 62.265 63.100 -0.281 0.000 0.795 306 P CB 0.942 32.398 31.700 -0.406 0.000 1.101 307 L N 1.187 122.427 121.223 0.028 0.000 2.265 307 L HA 0.179 4.519 4.340 0.000 0.000 0.288 307 L C -0.110 176.829 176.870 0.115 0.000 1.058 307 L CA -0.333 54.574 54.840 0.112 0.000 0.809 307 L CB 0.683 42.859 42.059 0.195 0.000 1.179 307 L HN 0.061 nan 8.230 nan 0.000 0.429 308 V N 6.488 126.475 119.914 0.121 0.000 2.304 308 V HA 0.246 4.366 4.120 0.000 0.000 0.262 308 V C -0.095 175.947 176.094 -0.087 0.000 1.061 308 V CA -0.629 61.658 62.300 -0.020 0.000 0.872 308 V CB 0.734 32.562 31.823 0.008 0.000 1.077 308 V HN 0.357 nan 8.190 nan 0.000 0.480 309 L N 4.487 125.669 121.223 -0.067 0.000 2.275 309 L HA 0.485 4.825 4.340 0.000 0.000 0.288 309 L C 0.104 176.842 176.870 -0.220 0.000 1.046 309 L CA 0.268 55.050 54.840 -0.098 0.000 0.805 309 L CB 1.356 43.369 42.059 -0.077 0.000 1.193 309 L HN 0.644 nan 8.230 nan 0.000 0.426 310 Q N 2.746 122.422 119.800 -0.207 0.000 2.348 310 Q HA 0.763 5.103 4.340 0.000 0.000 0.265 310 Q C -1.257 174.542 176.000 -0.335 0.000 0.998 310 Q CA -0.635 55.036 55.803 -0.220 0.000 0.831 310 Q CB 1.661 30.425 28.738 0.043 0.000 1.251 310 Q HN 0.771 nan 8.270 nan 0.000 0.456 311 A N 4.242 126.782 122.820 -0.467 0.000 2.318 311 A HA 0.418 4.738 4.320 0.000 0.000 0.324 311 A C 0.194 177.229 177.584 -0.915 0.000 1.170 311 A CA -0.443 51.009 52.037 -0.974 0.000 0.810 311 A CB 0.831 19.470 19.000 -0.603 0.000 1.198 311 A HN 1.010 nan 8.150 nan 0.000 0.484 312 N N 0.540 118.366 118.700 -1.457 0.000 2.708 312 N HA -0.238 4.502 4.740 0.000 0.000 0.251 312 N C 1.073 176.416 175.510 -0.278 0.000 1.123 312 N CA 2.488 55.275 53.050 -0.438 0.000 0.739 312 N CB -0.925 37.466 38.487 -0.160 0.000 1.113 312 N HN 2.157 nan 8.380 nan 0.000 0.561 313 G N -1.047 107.611 108.800 -0.237 0.000 2.205 313 G HA2 -0.373 3.588 3.960 0.000 0.000 0.261 313 G HA3 -0.373 3.588 3.960 0.000 0.000 0.261 313 G C 0.393 175.274 174.900 -0.033 0.000 0.980 313 G CA 0.733 45.777 45.100 -0.094 0.000 0.632 313 G HN 0.588 nan 8.290 nan 0.000 0.533 314 R N 0.756 121.183 120.500 -0.120 0.000 2.863 314 R HA 0.322 4.662 4.340 0.000 0.000 0.273 314 R C 0.018 176.309 176.300 -0.015 0.000 1.057 314 R CA -0.119 55.948 56.100 -0.055 0.000 1.191 314 R CB 0.121 30.359 30.300 -0.103 0.000 1.104 314 R HN 0.233 nan 8.270 nan 0.000 0.519 315 D N 2.152 122.569 120.400 0.027 0.000 2.423 315 D HA 0.054 4.695 4.640 0.000 0.000 0.238 315 D C -1.964 174.217 176.300 -0.198 0.000 1.142 315 D CA -0.814 53.159 54.000 -0.046 0.000 0.884 315 D CB 0.296 41.223 40.800 0.212 0.000 1.199 315 D HN 0.246 nan 8.370 nan 0.000 0.438 316 P HA 0.188 nan 4.420 nan 0.000 0.274 316 P C -0.770 176.382 177.300 -0.246 0.000 1.246 316 P CA -0.328 62.489 63.100 -0.471 0.000 0.795 316 P CB 1.181 32.248 31.700 -1.055 0.000 1.006 317 E N 0.392 120.500 120.200 -0.153 0.000 2.293 317 E HA 0.422 4.772 4.350 0.000 0.000 0.270 317 E C -0.601 175.917 176.600 -0.136 0.000 0.879 317 E CA -0.909 55.407 56.400 -0.141 0.000 0.756 317 E CB 1.788 31.434 29.700 -0.091 0.000 1.208 317 E HN 0.357 nan 8.360 nan 0.000 0.428 318 L N 2.293 123.326 121.223 -0.316 0.000 2.350 318 L HA 0.466 4.806 4.340 0.000 0.000 0.275 318 L C -0.693 175.830 176.870 -0.578 0.000 1.099 318 L CA -0.221 54.460 54.840 -0.265 0.000 0.808 318 L CB 0.180 42.120 42.059 -0.198 0.000 1.149 318 L HN 0.448 nan 8.230 nan 0.000 0.442 319 F N 0.472 120.257 119.950 -0.276 0.000 2.730 319 F HA 0.277 4.805 4.527 0.000 0.000 0.335 319 F C 0.160 175.782 175.800 -0.296 0.000 1.212 319 F CA -0.665 57.026 58.000 -0.516 0.000 1.016 319 F CB 1.446 39.817 39.000 -1.047 0.000 1.290 319 F HN 0.416 nan 8.300 nan 0.000 0.495 320 E N 3.961 124.136 120.200 -0.042 0.000 2.344 320 E HA 0.286 4.636 4.350 0.000 0.000 0.270 320 E C -0.162 176.583 176.600 0.243 0.000 1.021 320 E CA -0.223 56.239 56.400 0.104 0.000 0.887 320 E CB 1.227 31.006 29.700 0.132 0.000 0.997 320 E HN 0.497 nan 8.360 nan 0.000 0.429 321 I N 5.603 126.325 120.570 0.253 0.000 2.533 321 I HA 0.062 4.232 4.170 0.000 0.000 0.284 321 I C -1.995 174.240 176.117 0.196 0.000 1.109 321 I CA -1.904 59.565 61.300 0.282 0.000 1.412 321 I CB 0.246 38.330 38.000 0.140 0.000 1.396 321 I HN 0.177 nan 8.210 nan 0.000 0.543 322 P HA 0.017 nan 4.420 nan 0.000 0.261 322 P C -1.753 175.599 177.300 0.086 0.000 1.203 322 P CA -0.871 62.307 63.100 0.130 0.000 0.767 322 P CB 0.055 31.816 31.700 0.102 0.000 0.785 323 P HA -0.235 nan 4.420 nan 0.000 0.218 323 P C 0.431 177.763 177.300 0.052 0.000 1.146 323 P CA 1.516 64.659 63.100 0.072 0.000 0.820 323 P CB 0.077 31.826 31.700 0.081 0.000 0.778 324 D N 0.075 120.503 120.400 0.046 0.000 2.178 324 D HA -0.113 4.528 4.640 0.000 0.000 0.201 324 D C 1.924 178.237 176.300 0.023 0.000 0.980 324 D CA 0.849 54.868 54.000 0.031 0.000 0.842 324 D CB -0.615 40.201 40.800 0.028 0.000 0.948 324 D HN 0.230 nan 8.370 nan 0.000 0.472 325 L N 0.390 121.625 121.223 0.021 0.000 2.492 325 L HA 0.064 4.404 4.340 0.000 0.000 0.223 325 L C 0.188 177.062 176.870 0.008 0.000 1.132 325 L CA 0.075 54.920 54.840 0.008 0.000 0.850 325 L CB 0.223 42.276 42.059 -0.009 0.000 0.966 325 L HN -0.071 nan 8.230 nan 0.000 0.454 326 V N 2.239 122.163 119.914 0.017 0.000 2.304 326 V HA 0.128 4.248 4.120 0.000 0.000 0.262 326 V C -0.012 176.101 176.094 0.032 0.000 1.061 326 V CA -0.447 61.863 62.300 0.016 0.000 0.872 326 V CB 1.111 32.945 31.823 0.019 0.000 1.077 326 V HN 0.056 nan 8.190 nan 0.000 0.480 327 L N 5.985 127.229 121.223 0.035 0.000 2.281 327 L HA 0.502 4.842 4.340 0.000 0.000 0.285 327 L C 0.124 177.017 176.870 0.039 0.000 1.074 327 L CA 0.669 55.524 54.840 0.025 0.000 0.817 327 L CB 0.516 42.585 42.059 0.016 0.000 1.168 327 L HN 0.644 nan 8.230 nan 0.000 0.434 328 E N 3.224 123.431 120.200 0.011 0.000 2.299 328 E HA 0.677 5.027 4.350 0.000 0.000 0.260 328 E C -1.419 175.121 176.600 -0.101 0.000 0.944 328 E CA -1.090 55.315 56.400 0.008 0.000 0.815 328 E CB 2.453 32.184 29.700 0.050 0.000 1.252 328 E HN 0.389 nan 8.360 nan 0.000 0.418 329 V N 1.366 121.200 119.914 -0.134 0.000 2.525 329 V HA 0.444 4.564 4.120 0.000 0.000 0.299 329 V C -0.489 175.551 176.094 -0.089 0.000 1.034 329 V CA -0.828 61.328 62.300 -0.239 0.000 0.863 329 V CB 1.471 32.905 31.823 -0.649 0.000 0.999 329 V HN 0.793 nan 8.190 nan 0.000 0.423 330 A N 6.907 129.683 122.820 -0.074 0.000 2.409 330 A HA 0.670 4.990 4.320 0.000 0.000 0.262 330 A C 0.085 177.688 177.584 0.031 0.000 1.113 330 A CA -0.297 51.730 52.037 -0.017 0.000 0.790 330 A CB 0.174 19.167 19.000 -0.012 0.000 1.046 330 A HN 0.698 nan 8.150 nan 0.000 0.496 331 M N 2.805 122.469 119.600 0.107 0.000 2.146 331 M HA 0.307 4.787 4.480 0.000 0.000 0.357 331 M C 0.153 176.579 176.300 0.209 0.000 1.261 331 M CA 0.332 55.741 55.300 0.181 0.000 1.106 331 M CB 0.007 32.804 32.600 0.328 0.000 1.612 331 M HN 0.861 nan 8.290 nan 0.000 0.470 332 E N 1.700 121.942 120.200 0.071 0.000 2.352 332 E HA 0.359 4.709 4.350 0.000 0.000 0.280 332 E C -1.340 175.188 176.600 -0.119 0.000 0.930 332 E CA -0.856 55.584 56.400 0.065 0.000 0.765 332 E CB 1.841 31.603 29.700 0.103 0.000 1.219 332 E HN 0.628 nan 8.360 nan 0.000 0.434 333 H N 3.719 122.556 119.070 -0.389 0.000 2.502 333 H HA 0.198 4.754 4.556 0.000 0.000 0.327 333 H C -1.610 173.470 175.328 -0.414 0.000 1.099 333 H CA -2.009 53.717 56.048 -0.536 0.000 1.323 333 H CB 1.758 31.106 29.762 -0.691 0.000 1.450 333 H HN 0.475 nan 8.280 nan 0.000 0.502 334 P HA -0.134 nan 4.420 nan 0.000 0.215 334 P C 0.670 177.802 177.300 -0.280 0.000 1.153 334 P CA 1.451 64.104 63.100 -0.745 0.000 0.853 334 P CB 0.763 31.846 31.700 -1.029 0.000 0.788 335 K N -1.476 118.868 120.400 -0.093 0.000 2.121 335 K HA 0.032 4.352 4.320 0.000 0.000 0.203 335 K C 0.587 177.252 176.600 0.109 0.000 1.041 335 K CA 0.475 56.764 56.287 0.003 0.000 0.969 335 K CB -0.223 32.239 32.500 -0.064 0.000 0.799 335 K HN 0.064 nan 8.250 nan 0.000 0.456 336 Y N 3.092 123.307 120.300 -0.142 0.000 2.624 336 Y HA 0.060 4.610 4.550 0.000 0.000 0.354 336 Y C 1.036 176.636 175.900 -0.499 0.000 1.051 336 Y CA -0.617 57.118 58.100 -0.608 0.000 1.377 336 Y CB -0.353 37.282 38.460 -1.375 0.000 1.168 336 Y HN 0.165 nan 8.280 nan 0.000 0.525 337 E N 3.111 123.252 120.200 -0.097 0.000 2.268 337 E HA -0.161 4.189 4.350 0.000 0.000 0.195 337 E C 1.466 178.109 176.600 0.073 0.000 0.995 337 E CA 0.925 57.332 56.400 0.012 0.000 0.836 337 E CB -0.082 29.663 29.700 0.075 0.000 0.763 337 E HN 0.884 nan 8.360 nan 0.000 0.491 338 W N -0.140 121.257 121.300 0.161 0.000 2.611 338 W HA -0.064 4.596 4.660 0.000 0.000 0.251 338 W C 1.310 177.898 176.519 0.114 0.000 1.265 338 W CA -0.185 57.216 57.345 0.094 0.000 1.295 338 W CB -0.776 28.695 29.460 0.019 0.000 1.129 338 W HN -0.053 nan 8.180 nan 0.000 0.630 339 F N 2.773 122.625 119.950 -0.164 0.000 2.161 339 F HA -0.140 4.387 4.527 0.000 0.000 0.300 339 F C 2.707 178.561 175.800 0.089 0.000 1.089 339 F CA 2.096 60.054 58.000 -0.069 0.000 1.282 339 F CB -0.352 38.495 39.000 -0.254 0.000 1.010 339 F HN -0.258 nan 8.300 nan 0.000 0.485 340 R N 0.123 120.794 120.500 0.285 0.000 2.127 340 R HA -0.197 4.143 4.340 0.000 0.000 0.238 340 R C 1.954 178.347 176.300 0.155 0.000 1.134 340 R CA 1.738 57.963 56.100 0.209 0.000 0.975 340 R CB -0.605 29.786 30.300 0.151 0.000 0.865 340 R HN 0.428 nan 8.270 nan 0.000 0.447 341 E N 0.763 121.060 120.200 0.162 0.000 2.204 341 E HA -0.152 4.198 4.350 0.000 0.000 0.195 341 E C 1.869 178.516 176.600 0.079 0.000 0.990 341 E CA 0.787 57.261 56.400 0.123 0.000 0.821 341 E CB -0.081 29.706 29.700 0.146 0.000 0.750 341 E HN 0.345 nan 8.360 nan 0.000 0.477 342 L N 0.678 121.925 121.223 0.040 0.000 2.275 342 L HA -0.102 4.238 4.340 0.000 0.000 0.215 342 L C 0.279 177.171 176.870 0.036 0.000 1.119 342 L CA 0.598 55.420 54.840 -0.031 0.000 0.790 342 L CB -0.504 41.420 42.059 -0.224 0.000 0.919 342 L HN 0.124 nan 8.230 nan 0.000 0.443 343 E N 0.798 121.045 120.200 0.079 0.000 2.230 343 E HA -0.200 4.150 4.350 0.000 0.000 0.206 343 E C -0.604 176.090 176.600 0.158 0.000 1.309 343 E CA 0.025 56.497 56.400 0.119 0.000 0.697 343 E CB -1.482 28.297 29.700 0.131 0.000 1.146 343 E HN 0.410 nan 8.360 nan 0.000 0.363 344 L N 0.704 121.982 121.223 0.092 0.000 2.334 344 L HA 0.666 5.007 4.340 0.000 0.000 0.270 344 L C 0.467 177.279 176.870 -0.096 0.000 1.018 344 L CA -0.542 54.306 54.840 0.013 0.000 0.811 344 L CB 1.424 43.415 42.059 -0.113 0.000 1.271 344 L HN 0.207 nan 8.230 nan 0.000 0.443 345 K N -0.177 120.020 120.400 -0.338 0.000 2.617 345 K HA 0.519 4.839 4.320 0.000 0.000 0.293 345 K C -2.063 174.576 176.600 0.065 0.000 1.034 345 K CA -1.064 55.117 56.287 -0.177 0.000 0.884 345 K CB 2.216 34.520 32.500 -0.325 0.000 1.541 345 K HN 0.592 nan 8.250 nan 0.000 0.409 346 W N 1.602 122.877 121.300 -0.042 0.000 3.275 346 W HA 0.288 4.948 4.660 0.000 0.000 0.306 346 W C -1.382 175.184 176.519 0.079 0.000 1.259 346 W CA -0.768 56.608 57.345 0.051 0.000 1.194 346 W CB 1.370 30.736 29.460 -0.156 0.000 1.375 346 W HN 0.687 nan 8.180 nan 0.000 0.564 347 Y N 1.289 121.413 120.300 -0.294 0.000 2.379 347 Y HA 0.484 5.035 4.550 0.000 0.000 0.337 347 Y C 0.799 176.872 175.900 0.288 0.000 1.238 347 Y CA 0.315 58.361 58.100 -0.091 0.000 1.405 347 Y CB 0.141 38.417 38.460 -0.307 0.000 1.310 347 Y HN 0.334 nan 8.280 nan 0.000 0.569 348 A N 2.368 125.426 122.820 0.397 0.000 2.081 348 A HA 0.148 4.468 4.320 0.000 0.000 0.214 348 A C 0.361 178.258 177.584 0.523 0.000 1.158 348 A CA 0.090 52.427 52.037 0.501 0.000 0.724 348 A CB -0.162 18.987 19.000 0.249 0.000 0.826 348 A HN 0.647 nan 8.150 nan 0.000 0.463 349 L N 2.198 123.669 121.223 0.412 0.000 2.264 349 L HA 0.395 4.736 4.340 0.000 0.000 0.287 349 L C -2.513 174.448 176.870 0.151 0.000 1.039 349 L CA -2.156 52.819 54.840 0.226 0.000 0.829 349 L CB 1.529 43.650 42.059 0.103 0.000 1.211 349 L HN -0.014 nan 8.230 nan 0.000 0.427 350 P HA 0.365 nan 4.420 nan 0.000 0.291 350 P C -1.445 175.705 177.300 -0.249 0.000 1.340 350 P CA -0.348 62.539 63.100 -0.355 0.000 0.799 350 P CB 1.421 32.537 31.700 -0.974 0.000 0.917 351 A N 4.290 126.978 122.820 -0.220 0.000 2.411 351 A HA 0.453 4.774 4.320 0.000 0.000 0.285 351 A C -0.478 176.859 177.584 -0.411 0.000 1.129 351 A CA -0.656 51.185 52.037 -0.327 0.000 0.736 351 A CB 1.175 19.985 19.000 -0.316 0.000 1.186 351 A HN 0.285 nan 8.150 nan 0.000 0.445 352 V N 2.568 122.078 119.914 -0.674 0.000 2.455 352 V HA 0.418 4.538 4.120 0.000 0.000 0.273 352 V C 1.164 176.803 176.094 -0.758 0.000 1.045 352 V CA 0.838 62.694 62.300 -0.739 0.000 0.976 352 V CB 0.701 31.930 31.823 -0.990 0.000 0.993 352 V HN 1.110 nan 8.190 nan 0.000 0.475 353 A N 4.414 127.008 122.820 -0.377 0.000 2.013 353 A HA 0.058 4.378 4.320 0.000 0.000 0.204 353 A C 1.624 179.172 177.584 -0.059 0.000 1.262 353 A CA 0.574 52.495 52.037 -0.194 0.000 0.800 353 A CB -0.345 18.599 19.000 -0.093 0.000 0.909 353 A HN 0.914 nan 8.150 nan 0.000 0.472 354 N N -0.748 117.921 118.700 -0.050 0.000 2.627 354 N HA 0.068 4.808 4.740 0.000 0.000 0.196 354 N C 0.373 175.912 175.510 0.049 0.000 1.268 354 N CA 0.165 53.227 53.050 0.021 0.000 0.904 354 N CB -0.264 38.233 38.487 0.017 0.000 1.016 354 N HN 0.423 nan 8.380 nan 0.000 0.448 355 M N 0.703 120.336 119.600 0.053 0.000 2.573 355 M HA 0.361 4.841 4.480 0.000 0.000 0.309 355 M C -0.680 175.754 176.300 0.225 0.000 1.202 355 M CA -1.054 54.326 55.300 0.132 0.000 0.975 355 M CB 2.275 34.954 32.600 0.133 0.000 1.600 355 M HN 0.114 nan 8.290 nan 0.000 0.479 356 L N 2.314 123.688 121.223 0.251 0.000 2.329 356 L HA 0.603 4.943 4.340 0.000 0.000 0.279 356 L C -1.558 175.508 176.870 0.326 0.000 1.014 356 L CA -0.984 54.025 54.840 0.281 0.000 0.814 356 L CB 1.462 43.656 42.059 0.225 0.000 1.257 356 L HN 0.595 nan 8.230 nan 0.000 0.424 357 L N 4.768 126.168 121.223 0.295 0.000 2.282 357 L HA 0.478 4.819 4.340 0.000 0.000 0.288 357 L C -0.540 176.454 176.870 0.207 0.000 1.033 357 L CA 0.219 55.134 54.840 0.126 0.000 0.807 357 L CB 1.249 43.303 42.059 -0.008 0.000 1.209 357 L HN 0.641 nan 8.230 nan 0.000 0.423 358 E N 4.940 125.239 120.200 0.166 0.000 2.133 358 E HA 0.441 4.792 4.350 0.000 0.000 0.274 358 E C -1.874 174.777 176.600 0.086 0.000 0.930 358 E CA -0.455 56.066 56.400 0.202 0.000 0.770 358 E CB 1.605 31.524 29.700 0.365 0.000 1.104 358 E HN 0.497 nan 8.360 nan 0.000 0.403 359 V N 3.207 123.150 119.914 0.049 0.000 2.447 359 V HA 0.340 4.461 4.120 0.000 0.000 0.292 359 V C 0.704 176.720 176.094 -0.130 0.000 1.021 359 V CA -0.325 61.908 62.300 -0.112 0.000 0.850 359 V CB 1.407 33.066 31.823 -0.274 0.000 1.005 359 V HN 0.893 nan 8.190 nan 0.000 0.426 360 G N 3.542 112.337 108.800 -0.008 0.000 2.421 360 G HA2 0.071 4.031 3.960 0.000 0.000 0.300 360 G HA3 0.071 4.031 3.960 0.000 0.000 0.300 360 G C 1.293 176.286 174.900 0.156 0.000 0.974 360 G CA 1.207 46.391 45.100 0.140 0.000 1.062 360 G HN 2.273 nan 8.290 nan 0.000 0.514 361 G N -1.634 107.226 108.800 0.100 0.000 2.299 361 G HA2 -0.250 3.710 3.960 0.000 0.000 0.237 361 G HA3 -0.250 3.710 3.960 0.000 0.000 0.237 361 G C 0.657 175.570 174.900 0.022 0.000 1.027 361 G CA 0.351 45.498 45.100 0.080 0.000 0.619 361 G HN 1.232 nan 8.290 nan 0.000 0.513 362 L N 1.013 122.225 121.223 -0.020 0.000 2.452 362 L HA 0.584 4.924 4.340 0.000 0.000 0.267 362 L C 0.501 177.316 176.870 -0.092 0.000 1.188 362 L CA -0.012 54.739 54.840 -0.149 0.000 0.821 362 L CB 0.725 42.628 42.059 -0.259 0.000 1.102 362 L HN 0.289 nan 8.230 nan 0.000 0.470 363 E N 1.526 121.583 120.200 -0.238 0.000 2.272 363 E HA 0.459 4.810 4.350 0.000 0.000 0.269 363 E C -1.647 174.788 176.600 -0.274 0.000 0.877 363 E CA -0.513 55.827 56.400 -0.099 0.000 0.755 363 E CB 2.250 31.906 29.700 -0.074 0.000 1.192 363 E HN 0.233 nan 8.360 nan 0.000 0.422 364 F N 2.939 122.903 119.950 0.024 0.000 2.532 364 F HA 0.261 4.788 4.527 0.001 0.000 0.365 364 F C -1.659 174.213 175.800 0.120 0.000 1.112 364 F CA -1.926 56.112 58.000 0.063 0.000 1.082 364 F CB 1.603 40.630 39.000 0.045 0.000 1.319 364 F HN 0.316 nan 8.300 nan 0.000 0.457 365 P HA 0.002 nan 4.420 nan 0.000 0.226 365 P C 0.599 178.067 177.300 0.279 0.000 1.153 365 P CA 0.701 63.933 63.100 0.220 0.000 0.777 365 P CB 0.596 32.388 31.700 0.154 0.000 0.794 366 G N 0.512 109.538 108.800 0.377 0.000 2.671 366 G HA2 0.448 4.408 3.960 0.000 0.000 0.318 366 G HA3 0.448 4.408 3.960 0.000 0.000 0.318 366 G C -0.489 174.682 174.900 0.451 0.000 1.250 366 G CA -0.357 45.033 45.100 0.484 0.000 1.028 366 G HN 0.298 nan 8.290 nan 0.000 0.501 367 C N 1.258 120.743 119.300 0.308 0.000 3.354 367 C HA 0.485 4.945 4.460 0.000 0.000 0.314 367 C C -3.050 172.060 174.990 0.200 0.000 1.019 367 C CA -2.187 56.946 59.018 0.192 0.000 1.293 367 C CB 0.676 28.545 27.740 0.215 0.000 1.747 367 C HN 0.420 nan 8.230 nan 0.000 0.580 368 P HA 0.559 nan 4.420 nan 0.000 0.280 368 P C -0.551 176.811 177.300 0.104 0.000 1.244 368 P CA 0.317 63.397 63.100 -0.034 0.000 0.784 368 P CB 0.329 32.015 31.700 -0.023 0.000 0.913 369 F N 0.411 120.298 119.950 -0.105 0.000 2.613 369 F HA 0.705 5.232 4.527 0.000 0.000 0.310 369 F C -0.737 174.934 175.800 -0.216 0.000 1.085 369 F CA -1.020 56.893 58.000 -0.146 0.000 0.945 369 F CB 1.757 40.526 39.000 -0.385 0.000 1.298 369 F HN 0.232 nan 8.300 nan 0.000 0.455 370 N N 0.341 119.054 118.700 0.022 0.000 2.525 370 N HA 0.790 5.530 4.740 0.000 0.000 0.270 370 N C -1.244 174.172 175.510 -0.157 0.000 1.321 370 N CA -0.442 52.545 53.050 -0.105 0.000 0.797 370 N CB 2.104 40.562 38.487 -0.049 0.000 1.529 370 N HN 1.082 nan 8.380 nan 0.000 0.491 371 G N -0.920 107.753 108.800 -0.211 0.000 3.085 371 G HA2 0.650 4.610 3.960 0.000 0.000 0.264 371 G HA3 0.650 4.610 3.960 0.000 0.000 0.264 371 G C -1.885 172.954 174.900 -0.102 0.000 1.206 371 G CA -0.802 44.118 45.100 -0.299 0.000 0.809 371 G HN 0.697 nan 8.290 nan 0.000 0.592 372 W N -1.370 119.910 121.300 -0.034 0.000 2.719 372 W HA 0.825 5.485 4.660 0.000 0.000 0.352 372 W C -1.259 175.235 176.519 -0.042 0.000 1.085 372 W CA -2.164 55.175 57.345 -0.010 0.000 1.187 372 W CB 0.388 29.883 29.460 0.058 0.000 1.417 372 W HN 0.424 nan 8.180 nan 0.000 0.557 373 Y N 2.331 122.799 120.300 0.281 0.000 2.426 373 Y HA 0.234 4.784 4.550 0.000 0.000 0.344 373 Y C 0.693 176.629 175.900 0.059 0.000 1.256 373 Y CA -0.527 57.616 58.100 0.071 0.000 1.451 373 Y CB 0.970 39.383 38.460 -0.079 0.000 1.342 373 Y HN 0.468 nan 8.280 nan 0.000 0.600 374 M N 2.028 121.764 119.600 0.227 0.000 2.243 374 M HA 0.388 4.869 4.480 0.000 0.000 0.324 374 M C 1.013 177.278 176.300 -0.058 0.000 1.031 374 M CA -0.204 55.148 55.300 0.087 0.000 0.949 374 M CB 1.475 34.117 32.600 0.071 0.000 1.615 374 M HN 0.811 nan 8.290 nan 0.000 0.430 375 G N 2.132 110.868 108.800 -0.108 0.000 2.830 375 G HA2 -0.419 3.541 3.960 0.000 0.000 0.230 375 G HA3 -0.419 3.541 3.960 0.000 0.000 0.230 375 G C 1.143 175.903 174.900 -0.234 0.000 1.172 375 G CA 2.411 47.401 45.100 -0.184 0.000 0.764 375 G HN 0.928 nan 8.290 nan 0.000 0.640 376 T N -0.817 113.625 114.554 -0.188 0.000 2.737 376 T HA -0.155 4.195 4.350 0.000 0.000 0.269 376 T C 1.966 176.494 174.700 -0.287 0.000 1.040 376 T CA 1.978 63.916 62.100 -0.270 0.000 1.142 376 T CB -0.503 68.159 68.868 -0.344 0.000 0.861 376 T HN 0.605 nan 8.240 nan 0.000 0.456 377 E N 0.895 120.947 120.200 -0.245 0.000 2.086 377 E HA -0.120 4.231 4.350 0.000 0.000 0.200 377 E C 2.204 178.517 176.600 -0.477 0.000 1.012 377 E CA 1.804 58.062 56.400 -0.238 0.000 0.812 377 E CB -0.350 29.342 29.700 -0.014 0.000 0.743 377 E HN 0.627 nan 8.360 nan 0.000 0.453 378 I N 0.118 120.246 120.570 -0.736 0.000 2.270 378 I HA -0.062 4.108 4.170 0.000 0.000 0.239 378 I C 2.625 178.131 176.117 -1.018 0.000 1.080 378 I CA 0.815 61.379 61.300 -1.227 0.000 1.383 378 I CB -0.681 36.452 38.000 -1.445 0.000 1.097 378 I HN 0.119 nan 8.210 nan 0.000 0.420 379 G N 1.110 109.552 108.800 -0.596 0.000 2.480 379 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 379 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 379 G C 1.653 176.473 174.900 -0.133 0.000 1.200 379 G CA 1.372 46.326 45.100 -0.244 0.000 0.782 379 G HN 0.215 nan 8.290 nan 0.000 0.554 380 V N 0.583 120.382 119.914 -0.192 0.000 2.302 380 V HA -0.021 4.099 4.120 0.000 0.000 0.243 380 V C 2.939 178.954 176.094 -0.132 0.000 1.036 380 V CA 1.538 63.754 62.300 -0.140 0.000 1.020 380 V CB -0.428 31.282 31.823 -0.188 0.000 0.657 380 V HN 0.162 nan 8.190 nan 0.000 0.453 381 R N 0.590 120.969 120.500 -0.200 0.000 2.052 381 R HA -0.038 4.302 4.340 0.000 0.000 0.224 381 R C 2.039 178.260 176.300 -0.133 0.000 1.165 381 R CA 1.501 57.505 56.100 -0.160 0.000 0.939 381 R CB -1.328 28.864 30.300 -0.180 0.000 0.834 381 R HN 0.457 nan 8.270 nan 0.000 0.435 382 D N 0.449 120.662 120.400 -0.311 0.000 2.133 382 D HA -0.153 4.487 4.640 0.000 0.000 0.195 382 D C 1.825 178.145 176.300 0.034 0.000 0.997 382 D CA 1.226 55.026 54.000 -0.334 0.000 0.840 382 D CB -0.148 39.932 40.800 -1.199 0.000 0.947 382 D HN 0.110 nan 8.370 nan 0.000 0.452 383 F N -0.058 119.818 119.950 -0.122 0.000 2.446 383 F HA 0.068 4.595 4.527 0.000 0.000 0.292 383 F C 2.361 178.207 175.800 0.077 0.000 1.096 383 F CA -0.338 57.676 58.000 0.023 0.000 1.438 383 F CB -0.609 38.385 39.000 -0.010 0.000 1.107 383 F HN 0.036 nan 8.300 nan 0.000 0.546 384 C N -1.260 118.165 119.300 0.208 0.000 2.700 384 C HA 0.157 4.617 4.460 0.000 0.000 0.297 384 C C 0.424 175.465 174.990 0.086 0.000 1.293 384 C CA -0.603 58.493 59.018 0.129 0.000 1.756 384 C CB -0.551 27.231 27.740 0.069 0.000 2.210 384 C HN 0.094 nan 8.230 nan 0.000 0.553 385 D N 1.337 121.778 120.400 0.068 0.000 2.533 385 D HA 0.051 4.691 4.640 0.000 0.000 0.236 385 D C 1.161 177.504 176.300 0.071 0.000 1.137 385 D CA 0.347 54.376 54.000 0.047 0.000 0.867 385 D CB 0.869 41.692 40.800 0.039 0.000 1.170 385 D HN 0.000 nan 8.370 nan 0.000 0.474 386 V N 2.949 122.894 119.914 0.051 0.000 2.407 386 V HA -0.257 3.864 4.120 0.000 0.000 0.248 386 V C 2.307 178.432 176.094 0.051 0.000 1.055 386 V CA 1.694 64.026 62.300 0.054 0.000 1.049 386 V CB -0.589 31.260 31.823 0.043 0.000 0.662 386 V HN 0.670 nan 8.190 nan 0.000 0.455 387 Q N -0.254 119.575 119.800 0.048 0.000 2.482 387 Q HA -0.034 4.306 4.340 0.000 0.000 0.209 387 Q C 1.238 177.268 176.000 0.050 0.000 0.961 387 Q CA 0.658 56.488 55.803 0.045 0.000 0.945 387 Q CB 0.114 28.881 28.738 0.047 0.000 1.012 387 Q HN 0.469 nan 8.270 nan 0.000 0.515 388 R N -0.258 120.285 120.500 0.073 0.000 2.893 388 R HA 0.247 4.588 4.340 0.000 0.000 0.159 388 R C 1.571 177.906 176.300 0.058 0.000 1.366 388 R CA -0.456 55.708 56.100 0.106 0.000 0.929 388 R CB -1.161 29.266 30.300 0.211 0.000 1.796 388 R HN 0.058 nan 8.270 nan 0.000 0.464 389 Y N 1.476 121.911 120.300 0.224 0.000 2.421 389 Y HA -0.020 4.531 4.550 0.000 0.000 0.292 389 Y C 0.545 176.530 175.900 0.142 0.000 1.136 389 Y CA 1.075 59.306 58.100 0.218 0.000 1.255 389 Y CB -0.295 38.375 38.460 0.349 0.000 0.991 389 Y HN 0.540 nan 8.280 nan 0.000 0.552 390 N N 1.106 119.954 118.700 0.245 0.000 2.620 390 N HA -0.219 4.522 4.740 0.000 0.000 0.293 390 N C 0.382 175.980 175.510 0.145 0.000 1.178 390 N CA 0.369 53.516 53.050 0.161 0.000 0.750 390 N CB -0.746 37.804 38.487 0.105 0.000 0.949 390 N HN 0.625 nan 8.380 nan 0.000 0.555 391 I N -0.958 119.701 120.570 0.148 0.000 4.082 391 I HA 0.087 4.257 4.170 0.000 0.000 0.337 391 I C 1.655 177.840 176.117 0.114 0.000 1.352 391 I CA -0.530 60.827 61.300 0.096 0.000 1.097 391 I CB 0.035 38.052 38.000 0.028 0.000 1.048 391 I HN 0.261 nan 8.210 nan 0.000 0.393 392 L N 2.269 123.580 121.223 0.147 0.000 1.997 392 L HA -0.253 4.087 4.340 0.000 0.000 0.216 392 L C 2.543 179.592 176.870 0.298 0.000 1.074 392 L CA 2.501 57.456 54.840 0.190 0.000 0.763 392 L CB -0.657 41.474 42.059 0.120 0.000 0.890 392 L HN 0.486 nan 8.230 nan 0.000 0.434 393 E N -0.279 120.074 120.200 0.254 0.000 2.033 393 E HA -0.314 4.036 4.350 0.000 0.000 0.199 393 E C 2.088 178.710 176.600 0.037 0.000 1.011 393 E CA 1.843 58.353 56.400 0.183 0.000 0.815 393 E CB -0.355 29.401 29.700 0.093 0.000 0.755 393 E HN 0.548 nan 8.360 nan 0.000 0.451 394 E N -0.178 120.032 120.200 0.016 0.000 2.033 394 E HA -0.205 4.146 4.350 0.000 0.000 0.199 394 E C 2.164 178.707 176.600 -0.095 0.000 1.011 394 E CA 2.397 58.762 56.400 -0.058 0.000 0.815 394 E CB -0.587 29.084 29.700 -0.048 0.000 0.755 394 E HN 0.285 nan 8.360 nan 0.000 0.451 395 V N -0.865 119.052 119.914 0.005 0.000 2.594 395 V HA -0.021 4.099 4.120 0.000 0.000 0.253 395 V C 2.082 178.208 176.094 0.054 0.000 1.069 395 V CA 2.128 64.463 62.300 0.059 0.000 1.082 395 V CB -1.127 30.863 31.823 0.279 0.000 0.680 395 V HN 0.323 nan 8.190 nan 0.000 0.469 396 G N 0.610 109.476 108.800 0.110 0.000 2.418 396 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 396 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 396 G C 1.749 176.542 174.900 -0.180 0.000 1.158 396 G CA 0.856 46.010 45.100 0.090 0.000 0.771 396 G HN 0.551 nan 8.290 nan 0.000 0.545 397 R N -0.042 120.297 120.500 -0.268 0.000 2.066 397 R HA 0.035 4.376 4.340 0.000 0.000 0.232 397 R C 2.695 178.771 176.300 -0.374 0.000 1.131 397 R CA 0.787 56.697 56.100 -0.316 0.000 0.955 397 R CB -0.349 29.782 30.300 -0.282 0.000 0.851 397 R HN 0.155 nan 8.270 nan 0.000 0.432 398 R N 0.764 120.954 120.500 -0.516 0.000 2.105 398 R HA -0.063 4.277 4.340 0.000 0.000 0.239 398 R C 2.049 177.834 176.300 -0.859 0.000 1.135 398 R CA 1.331 56.852 56.100 -0.965 0.000 0.967 398 R CB -0.350 28.931 30.300 -1.698 0.000 0.861 398 R HN 0.338 nan 8.270 nan 0.000 0.442 399 M N -0.445 118.901 119.600 -0.423 0.000 2.619 399 M HA 0.090 4.570 4.480 0.000 0.000 0.251 399 M C 0.666 176.868 176.300 -0.163 0.000 1.106 399 M CA 0.738 55.934 55.300 -0.173 0.000 1.086 399 M CB 0.263 32.905 32.600 0.069 0.000 1.465 399 M HN 0.345 nan 8.290 nan 0.000 0.506 400 G N 2.196 110.866 108.800 -0.216 0.000 2.272 400 G HA2 -0.235 3.725 3.960 0.000 0.000 0.280 400 G HA3 -0.235 3.725 3.960 0.000 0.000 0.280 400 G C -0.212 174.618 174.900 -0.117 0.000 1.067 400 G CA -0.104 44.893 45.100 -0.171 0.000 0.902 400 G HN 0.400 nan 8.290 nan 0.000 0.500 401 L N -0.987 120.162 121.223 -0.123 0.000 2.387 401 L HA 0.457 4.798 4.340 0.000 0.000 0.266 401 L C 1.020 177.769 176.870 -0.202 0.000 1.059 401 L CA -0.952 53.842 54.840 -0.076 0.000 0.801 401 L CB 0.737 42.829 42.059 0.056 0.000 1.223 401 L HN 0.149 nan 8.230 nan 0.000 0.456 402 E N 0.504 120.621 120.200 -0.138 0.000 1.842 402 E HA -0.020 4.330 4.350 0.000 0.000 0.278 402 E C 0.661 176.938 176.600 -0.537 0.000 1.171 402 E CA -0.038 56.246 56.400 -0.194 0.000 1.127 402 E CB 0.007 29.689 29.700 -0.031 0.000 1.100 402 E HN 0.632 nan 8.360 nan 0.000 0.456 403 T N -2.002 111.980 114.554 -0.954 0.000 3.219 403 T HA -0.132 4.219 4.350 0.000 0.000 0.264 403 T C 0.898 174.889 174.700 -1.182 0.000 1.178 403 T CA 1.007 62.029 62.100 -1.797 0.000 1.057 403 T CB -0.197 67.733 68.868 -1.564 0.000 0.919 403 T HN 0.455 nan 8.240 nan 0.000 0.545 404 H N -0.471 118.387 119.070 -0.353 0.000 2.695 404 H HA 0.391 4.947 4.556 0.000 0.000 0.267 404 H C 0.869 176.217 175.328 0.032 0.000 0.973 404 H CA -0.175 55.810 56.048 -0.105 0.000 1.223 404 H CB 0.546 30.249 29.762 -0.098 0.000 1.442 404 H HN 0.223 nan 8.280 nan 0.000 0.478 405 K N 2.185 122.667 120.400 0.137 0.000 2.263 405 K HA 0.094 4.415 4.320 0.000 0.000 0.282 405 K C 0.496 177.262 176.600 0.277 0.000 1.089 405 K CA -0.118 56.269 56.287 0.167 0.000 0.907 405 K CB 0.423 32.993 32.500 0.117 0.000 1.148 405 K HN 0.256 nan 8.250 nan 0.000 0.470 406 L N 3.168 124.544 121.223 0.255 0.000 2.042 406 L HA -0.194 4.146 4.340 0.000 0.000 0.210 406 L C 2.126 179.080 176.870 0.140 0.000 1.076 406 L CA 1.523 56.500 54.840 0.227 0.000 0.749 406 L CB -0.330 41.809 42.059 0.133 0.000 0.893 406 L HN 0.787 nan 8.230 nan 0.000 0.432 407 A N -0.394 122.494 122.820 0.114 0.000 2.225 407 A HA -0.155 4.165 4.320 0.000 0.000 0.215 407 A C 2.338 179.977 177.584 0.092 0.000 1.164 407 A CA 1.450 53.535 52.037 0.079 0.000 0.710 407 A CB -0.511 18.528 19.000 0.065 0.000 0.780 407 A HN 0.563 nan 8.150 nan 0.000 0.473 408 S N -0.709 115.082 115.700 0.150 0.000 2.522 408 S HA 0.129 4.599 4.470 0.000 0.000 0.227 408 S C 0.896 175.584 174.600 0.147 0.000 0.986 408 S CA 0.602 58.898 58.200 0.160 0.000 0.929 408 S CB -0.670 62.659 63.200 0.215 0.000 0.769 408 S HN 0.842 nan 8.310 nan 0.000 0.529 409 L N 0.519 121.800 121.223 0.097 0.000 4.040 409 L HA -0.179 4.161 4.340 0.000 0.000 0.410 409 L C 1.672 178.544 176.870 0.003 0.000 1.187 409 L CA 0.773 55.609 54.840 -0.007 0.000 0.956 409 L CB -2.606 39.459 42.059 0.010 0.000 2.022 409 L HN 0.750 nan 8.230 nan 0.000 0.897 410 W N 0.339 121.649 121.300 0.017 0.000 2.363 410 W HA -0.175 4.486 4.660 0.000 0.000 0.296 410 W C 1.750 178.285 176.519 0.026 0.000 1.212 410 W CA 1.391 58.747 57.345 0.017 0.000 1.260 410 W CB -0.736 28.719 29.460 -0.008 0.000 1.131 410 W HN 0.235 nan 8.180 nan 0.000 0.530 411 K N 1.047 120.776 120.400 -1.119 0.000 2.063 411 K HA -0.201 4.119 4.320 0.000 0.000 0.208 411 K C 1.539 177.914 176.600 -0.375 0.000 1.048 411 K CA 2.589 58.233 56.287 -1.072 0.000 0.928 411 K CB -0.309 31.529 32.500 -1.104 0.000 0.713 411 K HN 0.123 nan 8.250 nan 0.000 0.442 412 D N 0.128 120.383 120.400 -0.243 0.000 2.097 412 D HA -0.135 4.505 4.640 0.000 0.000 0.197 412 D C 1.938 178.233 176.300 -0.008 0.000 0.984 412 D CA 0.974 54.914 54.000 -0.101 0.000 0.826 412 D CB 0.006 40.762 40.800 -0.073 0.000 0.973 412 D HN 0.174 nan 8.370 nan 0.000 0.460 413 Q N 0.272 120.097 119.800 0.042 0.000 2.135 413 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 413 Q C 2.255 178.349 176.000 0.157 0.000 0.981 413 Q CA 1.374 57.244 55.803 0.113 0.000 0.856 413 Q CB -0.179 28.651 28.738 0.152 0.000 0.902 413 Q HN 0.302 nan 8.270 nan 0.000 0.425 414 A N 0.216 123.137 122.820 0.168 0.000 1.877 414 A HA -0.163 4.157 4.320 0.000 0.000 0.216 414 A C 2.248 179.944 177.584 0.186 0.000 1.186 414 A CA 1.525 53.699 52.037 0.228 0.000 0.620 414 A CB -0.991 18.164 19.000 0.258 0.000 0.822 414 A HN 0.302 nan 8.150 nan 0.000 0.443 415 V N -0.204 119.764 119.914 0.090 0.000 2.407 415 V HA -0.193 3.927 4.120 0.000 0.000 0.248 415 V C 2.444 178.590 176.094 0.086 0.000 1.055 415 V CA 2.324 64.666 62.300 0.071 0.000 1.049 415 V CB -0.384 31.433 31.823 -0.009 0.000 0.662 415 V HN 0.334 nan 8.190 nan 0.000 0.455 416 V N -0.150 119.814 119.914 0.083 0.000 2.295 416 V HA -0.236 3.885 4.120 0.000 0.000 0.246 416 V C 2.559 178.722 176.094 0.115 0.000 1.049 416 V CA 2.398 64.751 62.300 0.089 0.000 1.024 416 V CB -0.771 31.103 31.823 0.086 0.000 0.648 416 V HN 0.562 nan 8.190 nan 0.000 0.447 417 E N 0.050 120.352 120.200 0.170 0.000 2.077 417 E HA -0.146 4.204 4.350 0.000 0.000 0.193 417 E C 1.985 178.724 176.600 0.232 0.000 0.989 417 E CA 1.262 57.795 56.400 0.221 0.000 0.800 417 E CB -0.322 29.555 29.700 0.296 0.000 0.746 417 E HN 0.600 nan 8.360 nan 0.000 0.452 418 I N 0.761 121.495 120.570 0.273 0.000 2.226 418 I HA -0.266 3.905 4.170 0.000 0.000 0.245 418 I C 1.958 178.169 176.117 0.156 0.000 1.100 418 I CA 0.902 62.392 61.300 0.318 0.000 1.374 418 I CB -0.330 37.889 38.000 0.365 0.000 1.057 418 I HN 0.145 nan 8.210 nan 0.000 0.413 419 N N 0.916 119.674 118.700 0.096 0.000 2.309 419 N HA -0.072 4.668 4.740 0.000 0.000 0.182 419 N C 1.958 177.461 175.510 -0.012 0.000 1.018 419 N CA 1.181 54.246 53.050 0.025 0.000 0.876 419 N CB 0.080 38.575 38.487 0.013 0.000 0.972 419 N HN 0.385 nan 8.380 nan 0.000 0.434 420 I N 1.141 121.694 120.570 -0.029 0.000 2.315 420 I HA -0.191 3.980 4.170 0.000 0.000 0.248 420 I C 2.423 178.421 176.117 -0.198 0.000 1.117 420 I CA 0.525 61.755 61.300 -0.117 0.000 1.404 420 I CB -0.230 37.664 38.000 -0.178 0.000 1.071 420 I HN 0.035 nan 8.210 nan 0.000 0.419 421 A N 0.581 123.248 122.820 -0.255 0.000 1.908 421 A HA -0.166 4.154 4.320 0.000 0.000 0.218 421 A C 2.422 179.925 177.584 -0.135 0.000 1.181 421 A CA 1.823 53.635 52.037 -0.375 0.000 0.627 421 A CB -0.965 17.543 19.000 -0.820 0.000 0.818 421 A HN 0.232 nan 8.150 nan 0.000 0.445 422 V N 0.198 120.084 119.914 -0.046 0.000 2.233 422 V HA -0.289 3.831 4.120 0.000 0.000 0.247 422 V C 2.598 178.707 176.094 0.025 0.000 1.050 422 V CA 2.089 64.403 62.300 0.023 0.000 1.010 422 V CB -0.897 30.880 31.823 -0.077 0.000 0.637 422 V HN 0.578 nan 8.190 nan 0.000 0.444 423 L N -0.485 120.712 121.223 -0.044 0.000 1.989 423 L HA -0.267 4.073 4.340 0.000 0.000 0.211 423 L C 2.664 179.555 176.870 0.034 0.000 1.071 423 L CA 2.402 57.223 54.840 -0.032 0.000 0.749 423 L CB -0.973 41.063 42.059 -0.038 0.000 0.890 423 L HN 0.499 nan 8.230 nan 0.000 0.431 424 H N -0.023 118.993 119.070 -0.090 0.000 2.319 424 H HA -0.182 4.374 4.556 0.000 0.000 0.297 424 H C 2.352 177.652 175.328 -0.046 0.000 1.097 424 H CA 2.090 58.072 56.048 -0.110 0.000 1.285 424 H CB -0.133 29.491 29.762 -0.230 0.000 1.368 424 H HN 0.162 nan 8.280 nan 0.000 0.495 425 S N -0.504 115.085 115.700 -0.185 0.000 2.370 425 S HA -0.125 4.345 4.470 0.000 0.000 0.226 425 S C 1.928 176.461 174.600 -0.112 0.000 1.033 425 S CA 1.293 59.378 58.200 -0.191 0.000 1.011 425 S CB -0.448 62.748 63.200 -0.007 0.000 0.852 425 S HN 0.337 nan 8.310 nan 0.000 0.457 426 F N 1.944 121.802 119.950 -0.154 0.000 2.113 426 F HA -0.067 4.460 4.527 0.000 0.000 0.297 426 F C 2.640 178.363 175.800 -0.128 0.000 1.103 426 F CA 1.029 58.965 58.000 -0.106 0.000 1.248 426 F CB -0.744 38.216 39.000 -0.067 0.000 0.999 426 F HN 0.196 nan 8.300 nan 0.000 0.475 427 Q N 0.008 119.836 119.800 0.048 0.000 2.061 427 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 427 Q C 2.222 178.161 176.000 -0.101 0.000 0.984 427 Q CA 1.753 57.538 55.803 -0.031 0.000 0.846 427 Q CB -0.378 28.339 28.738 -0.034 0.000 0.902 427 Q HN 0.328 nan 8.270 nan 0.000 0.421 428 K N 0.697 120.970 120.400 -0.212 0.000 2.209 428 K HA -0.160 4.160 4.320 0.000 0.000 0.204 428 K C 1.414 177.918 176.600 -0.160 0.000 1.048 428 K CA 1.119 57.271 56.287 -0.225 0.000 0.940 428 K CB 0.177 32.431 32.500 -0.410 0.000 0.729 428 K HN 0.247 nan 8.250 nan 0.000 0.451 429 Q N 0.251 119.951 119.800 -0.168 0.000 2.246 429 Q HA 0.088 4.428 4.340 0.000 0.000 0.202 429 Q C -0.691 175.235 176.000 -0.122 0.000 0.883 429 Q CA -0.218 55.494 55.803 -0.151 0.000 0.952 429 Q CB 0.540 29.157 28.738 -0.201 0.000 1.078 429 Q HN 0.290 nan 8.270 nan 0.000 0.493 430 N N -0.140 118.505 118.700 -0.093 0.000 2.740 430 N HA -0.144 4.596 4.740 0.000 0.000 0.248 430 N C -1.124 174.351 175.510 -0.059 0.000 1.062 430 N CA 0.599 53.609 53.050 -0.067 0.000 0.704 430 N CB -1.602 36.847 38.487 -0.062 0.000 0.968 430 N HN 0.027 nan 8.380 nan 0.000 0.547 431 V N 0.702 120.590 119.914 -0.043 0.000 2.459 431 V HA 0.269 4.389 4.120 0.000 0.000 0.295 431 V C 0.864 177.049 176.094 0.152 0.000 1.029 431 V CA -0.641 61.665 62.300 0.010 0.000 0.874 431 V CB 2.071 33.807 31.823 -0.145 0.000 0.985 431 V HN 0.169 nan 8.190 nan 0.000 0.438 432 T N 6.161 120.761 114.554 0.076 0.000 2.871 432 T HA 0.371 4.721 4.350 0.000 0.000 0.296 432 T C -0.297 174.441 174.700 0.065 0.000 0.998 432 T CA 0.837 62.907 62.100 -0.051 0.000 1.162 432 T CB -0.044 68.679 68.868 -0.241 0.000 0.947 432 T HN 0.479 nan 8.240 nan 0.000 0.536 433 I N 2.788 123.318 120.570 -0.066 0.000 3.004 433 I HA 0.660 4.830 4.170 0.000 0.000 0.305 433 I C -1.419 174.646 176.117 -0.088 0.000 1.312 433 I CA -1.081 60.163 61.300 -0.094 0.000 0.992 433 I CB 2.283 40.126 38.000 -0.262 0.000 1.282 433 I HN 0.709 nan 8.210 nan 0.000 0.449 434 M N 6.206 125.816 119.600 0.018 0.000 2.213 434 M HA 0.395 4.876 4.480 0.000 0.000 0.286 434 M C -1.753 174.582 176.300 0.058 0.000 1.008 434 M CA -0.637 54.707 55.300 0.074 0.000 0.937 434 M CB 1.336 34.097 32.600 0.268 0.000 1.600 434 M HN 0.687 nan 8.290 nan 0.000 0.450 435 D N 4.263 124.680 120.400 0.028 0.000 2.372 435 D HA -0.005 4.635 4.640 0.000 0.000 0.243 435 D C 0.916 177.223 176.300 0.012 0.000 1.121 435 D CA -0.038 53.978 54.000 0.027 0.000 0.898 435 D CB 0.556 41.352 40.800 -0.006 0.000 1.202 435 D HN 0.842 nan 8.370 nan 0.000 0.428 436 H N 1.286 120.310 119.070 -0.076 0.000 2.457 436 H HA -0.179 4.378 4.556 0.000 0.000 0.297 436 H C 1.111 176.341 175.328 -0.163 0.000 1.092 436 H CA 1.245 57.204 56.048 -0.149 0.000 1.309 436 H CB -0.585 29.027 29.762 -0.250 0.000 1.382 436 H HN 0.554 nan 8.280 nan 0.000 0.535 437 H N 1.003 119.824 119.070 -0.416 0.000 2.326 437 H HA 0.005 4.561 4.556 0.000 0.000 0.301 437 H C 2.344 177.633 175.328 -0.065 0.000 1.081 437 H CA 1.430 57.341 56.048 -0.228 0.000 1.334 437 H CB 0.130 29.728 29.762 -0.273 0.000 1.385 437 H HN 0.365 nan 8.280 nan 0.000 0.504 438 S N 0.771 116.513 115.700 0.070 0.000 2.383 438 S HA -0.092 4.379 4.470 0.000 0.000 0.227 438 S C 2.463 177.126 174.600 0.105 0.000 1.026 438 S CA 0.786 59.033 58.200 0.080 0.000 0.981 438 S CB -0.215 63.022 63.200 0.063 0.000 0.818 438 S HN 0.501 nan 8.310 nan 0.000 0.472 439 A N 1.926 124.806 122.820 0.101 0.000 1.858 439 A HA 0.055 4.375 4.320 0.000 0.000 0.216 439 A C 2.408 180.079 177.584 0.146 0.000 1.190 439 A CA 1.806 53.921 52.037 0.129 0.000 0.617 439 A CB -1.281 17.781 19.000 0.103 0.000 0.827 439 A HN 0.519 nan 8.150 nan 0.000 0.443 440 A N -0.379 122.505 122.820 0.106 0.000 1.883 440 A HA -0.217 4.103 4.320 0.000 0.000 0.217 440 A C 1.952 179.661 177.584 0.208 0.000 1.186 440 A CA 1.799 53.917 52.037 0.135 0.000 0.624 440 A CB -0.625 18.422 19.000 0.079 0.000 0.822 440 A HN 0.649 nan 8.150 nan 0.000 0.444 441 E N -0.134 120.165 120.200 0.166 0.000 2.077 441 E HA -0.169 4.181 4.350 0.000 0.000 0.193 441 E C 2.406 179.109 176.600 0.172 0.000 0.989 441 E CA 1.423 57.919 56.400 0.161 0.000 0.800 441 E CB -0.191 29.582 29.700 0.121 0.000 0.746 441 E HN 0.788 nan 8.360 nan 0.000 0.452 442 S N 0.485 116.289 115.700 0.174 0.000 2.382 442 S HA -0.192 4.279 4.470 0.000 0.000 0.228 442 S C 1.910 176.631 174.600 0.201 0.000 1.027 442 S CA 0.726 59.026 58.200 0.166 0.000 0.991 442 S CB -0.438 62.859 63.200 0.161 0.000 0.823 442 S HN 0.307 nan 8.310 nan 0.000 0.469 443 F N 2.246 122.265 119.950 0.115 0.000 2.102 443 F HA -0.010 4.518 4.527 0.000 0.000 0.298 443 F C 2.355 178.284 175.800 0.216 0.000 1.105 443 F CA 1.693 59.783 58.000 0.150 0.000 1.239 443 F CB -0.333 38.724 39.000 0.096 0.000 0.991 443 F HN 0.118 nan 8.300 nan 0.000 0.474 444 M N 0.211 119.983 119.600 0.287 0.000 2.144 444 M HA -0.231 4.249 4.480 0.000 0.000 0.260 444 M C 2.131 178.495 176.300 0.106 0.000 1.067 444 M CA 1.635 57.059 55.300 0.207 0.000 1.095 444 M CB -1.378 31.361 32.600 0.231 0.000 1.365 444 M HN 0.089 nan 8.290 nan 0.000 0.406 445 K N 0.076 120.538 120.400 0.103 0.000 2.002 445 K HA -0.190 4.130 4.320 0.000 0.000 0.209 445 K C 2.037 178.658 176.600 0.035 0.000 1.048 445 K CA 1.485 57.819 56.287 0.080 0.000 0.930 445 K CB -0.971 31.582 32.500 0.088 0.000 0.714 445 K HN 0.313 nan 8.250 nan 0.000 0.438 446 Y N 0.539 120.760 120.300 -0.132 0.000 2.114 446 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 446 Y C 2.218 177.954 175.900 -0.273 0.000 1.165 446 Y CA 2.572 60.549 58.100 -0.206 0.000 1.148 446 Y CB -0.400 37.874 38.460 -0.310 0.000 0.972 446 Y HN 0.172 nan 8.280 nan 0.000 0.504 447 M N 0.215 119.511 119.600 -0.506 0.000 2.080 447 M HA -0.316 4.164 4.480 0.000 0.000 0.260 447 M C 2.541 178.681 176.300 -0.267 0.000 1.068 447 M CA 2.390 57.371 55.300 -0.532 0.000 1.109 447 M CB -0.376 32.028 32.600 -0.327 0.000 1.342 447 M HN 0.557 nan 8.290 nan 0.000 0.405 448 Q N 0.087 119.871 119.800 -0.028 0.000 2.096 448 Q HA -0.232 4.109 4.340 0.000 0.000 0.204 448 Q C 1.439 177.501 176.000 0.103 0.000 0.982 448 Q CA 1.985 57.925 55.803 0.229 0.000 0.850 448 Q CB -0.092 28.794 28.738 0.248 0.000 0.901 448 Q HN 0.597 nan 8.270 nan 0.000 0.422 449 N N 0.598 119.265 118.700 -0.056 0.000 2.166 449 N HA -0.150 4.590 4.740 0.000 0.000 0.186 449 N C 1.537 176.945 175.510 -0.170 0.000 1.019 449 N CA 1.143 54.144 53.050 -0.081 0.000 0.856 449 N CB -0.287 38.152 38.487 -0.080 0.000 0.993 449 N HN 0.298 nan 8.380 nan 0.000 0.426 450 E N 0.261 120.226 120.200 -0.392 0.000 2.085 450 E HA -0.143 4.207 4.350 0.000 0.000 0.194 450 E C 1.576 177.928 176.600 -0.413 0.000 0.994 450 E CA 0.874 56.962 56.400 -0.521 0.000 0.801 450 E CB -0.396 28.804 29.700 -0.834 0.000 0.743 450 E HN 0.538 nan 8.360 nan 0.000 0.453 451 Y N 0.605 120.775 120.300 -0.216 0.000 2.571 451 Y HA -0.043 4.507 4.550 0.000 0.000 0.294 451 Y C 2.341 178.241 175.900 -0.000 0.000 1.141 451 Y CA 0.767 58.819 58.100 -0.079 0.000 1.308 451 Y CB 0.128 38.594 38.460 0.009 0.000 1.002 451 Y HN -0.007 nan 8.280 nan 0.000 0.551 452 R N -1.516 119.028 120.500 0.073 0.000 2.087 452 R HA 0.009 4.350 4.340 0.000 0.000 0.216 452 R C 2.269 178.568 176.300 -0.001 0.000 1.114 452 R CA 1.079 57.213 56.100 0.056 0.000 1.002 452 R CB -0.389 29.940 30.300 0.048 0.000 0.903 452 R HN 0.107 nan 8.270 nan 0.000 0.445 453 S N 1.667 117.338 115.700 -0.049 0.000 2.343 453 S HA -0.144 4.326 4.470 0.000 0.000 0.219 453 S C 1.653 176.203 174.600 -0.082 0.000 1.033 453 S CA 1.644 59.806 58.200 -0.063 0.000 1.014 453 S CB -0.097 63.050 63.200 -0.088 0.000 0.915 453 S HN 0.430 nan 8.310 nan 0.000 0.435 454 R N 0.205 120.620 120.500 -0.141 0.000 2.590 454 R HA 0.438 4.779 4.340 0.000 0.000 0.410 454 R C 0.723 176.932 176.300 -0.151 0.000 1.010 454 R CA 0.283 56.299 56.100 -0.139 0.000 1.155 454 R CB -0.311 29.889 30.300 -0.167 0.000 1.455 454 R HN 0.272 nan 8.270 nan 0.000 0.567 455 G N 0.354 109.076 108.800 -0.131 0.000 2.356 455 G HA2 -0.136 3.824 3.960 0.000 0.000 0.296 455 G HA3 -0.136 3.824 3.960 0.000 0.000 0.296 455 G C 0.193 174.953 174.900 -0.232 0.000 1.022 455 G CA 0.415 45.481 45.100 -0.057 0.000 0.961 455 G HN 0.883 nan 8.290 nan 0.000 0.510 456 G N -2.572 105.781 108.800 -0.745 0.000 2.411 456 G HA2 0.590 4.550 3.960 0.000 0.000 0.295 456 G HA3 0.590 4.550 3.960 0.000 0.000 0.295 456 G C -1.000 173.367 174.900 -0.889 0.000 1.542 456 G CA 0.275 44.903 45.100 -0.786 0.000 0.814 456 G HN 1.714 nan 8.290 nan 0.000 0.557 457 C N 2.678 121.625 119.300 -0.589 0.000 3.044 457 C HA 0.591 5.052 4.460 0.000 0.000 0.382 457 C C -2.609 172.215 174.990 -0.277 0.000 1.071 457 C CA -1.118 57.652 59.018 -0.413 0.000 1.296 457 C CB 1.063 28.528 27.740 -0.458 0.000 1.730 457 C HN 0.662 nan 8.230 nan 0.000 0.513 458 P HA 0.398 nan 4.420 nan 0.000 0.267 458 P C -0.656 176.523 177.300 -0.201 0.000 1.209 458 P CA 0.586 63.276 63.100 -0.684 0.000 0.763 458 P CB 1.091 32.408 31.700 -0.639 0.000 0.816 459 A N 2.717 125.469 122.820 -0.114 0.000 2.429 459 A HA 0.328 4.649 4.320 0.000 0.000 0.289 459 A C -0.888 176.746 177.584 0.084 0.000 1.043 459 A CA -0.570 51.506 52.037 0.066 0.000 0.722 459 A CB 1.010 20.136 19.000 0.209 0.000 1.243 459 A HN 0.431 nan 8.150 nan 0.000 0.415 460 D N 2.463 122.914 120.400 0.084 0.000 2.441 460 D HA 0.104 4.744 4.640 0.000 0.000 0.221 460 D C 0.943 177.378 176.300 0.224 0.000 1.156 460 D CA -0.414 53.671 54.000 0.142 0.000 0.896 460 D CB 0.193 41.044 40.800 0.085 0.000 1.028 460 D HN 0.629 nan 8.370 nan 0.000 0.509 461 W N 4.564 125.893 121.300 0.048 0.000 2.304 461 W HA -0.260 4.401 4.660 0.000 0.000 0.315 461 W C 1.807 178.357 176.519 0.052 0.000 1.233 461 W CA 1.261 58.621 57.345 0.026 0.000 1.261 461 W CB -0.109 29.351 29.460 0.001 0.000 1.150 461 W HN 0.458 nan 8.180 nan 0.000 0.494 462 I N -0.975 119.923 120.570 0.547 0.000 2.248 462 I HA -0.333 3.838 4.170 0.000 0.000 0.248 462 I C 1.808 178.045 176.117 0.201 0.000 1.107 462 I CA 1.649 63.203 61.300 0.424 0.000 1.373 462 I CB -0.684 37.567 38.000 0.418 0.000 1.055 462 I HN 0.133 nan 8.210 nan 0.000 0.418 463 W N 0.169 121.464 121.300 -0.009 0.000 2.704 463 W HA 0.119 4.779 4.660 0.000 0.000 0.266 463 W C 2.231 178.650 176.519 -0.166 0.000 1.266 463 W CA 0.284 57.591 57.345 -0.063 0.000 1.377 463 W CB -0.294 29.155 29.460 -0.017 0.000 1.082 463 W HN -0.022 nan 8.180 nan 0.000 0.608 464 L N -0.405 120.782 121.223 -0.061 0.000 2.179 464 L HA -0.008 4.332 4.340 0.000 0.000 0.208 464 L C 0.669 177.317 176.870 -0.371 0.000 1.096 464 L CA 0.350 55.020 54.840 -0.284 0.000 0.779 464 L CB -0.902 40.891 42.059 -0.443 0.000 0.922 464 L HN -0.414 nan 8.230 nan 0.000 0.443 465 V N 1.473 121.094 119.914 -0.488 0.000 2.470 465 V HA 0.119 4.240 4.120 0.000 0.000 0.276 465 V C -1.871 174.034 176.094 -0.315 0.000 1.040 465 V CA -1.380 60.630 62.300 -0.483 0.000 1.008 465 V CB 0.205 31.558 31.823 -0.784 0.000 0.990 465 V HN 0.045 nan 8.190 nan 0.000 0.477 466 P HA 0.077 nan 4.420 nan 0.000 0.266 466 P C -2.005 175.142 177.300 -0.255 0.000 1.186 466 P CA -0.762 62.188 63.100 -0.249 0.000 0.767 466 P CB -0.004 31.554 31.700 -0.237 0.000 0.820 467 P HA -0.062 nan 4.420 nan 0.000 0.228 467 P C 0.174 177.346 177.300 -0.213 0.000 1.151 467 P CA 1.404 64.367 63.100 -0.228 0.000 0.770 467 P CB -0.100 31.460 31.700 -0.233 0.000 0.786 468 M N -5.810 113.625 119.600 -0.275 0.000 2.484 468 M HA 0.546 5.026 4.480 0.000 0.000 0.289 468 M C -0.424 175.764 176.300 -0.186 0.000 1.206 468 M CA -0.761 54.404 55.300 -0.225 0.000 0.892 468 M CB 2.125 34.575 32.600 -0.249 0.000 1.712 468 M HN -0.391 nan 8.290 nan 0.000 0.462 469 S N 0.969 116.612 115.700 -0.096 0.000 3.614 469 S HA -0.166 4.304 4.470 0.000 0.000 0.360 469 S C 1.104 175.653 174.600 -0.085 0.000 1.023 469 S CA 0.729 58.904 58.200 -0.041 0.000 1.114 469 S CB -1.808 61.449 63.200 0.094 0.000 0.907 469 S HN 1.207 nan 8.310 nan 0.000 0.470 470 G N 1.992 110.703 108.800 -0.148 0.000 2.586 470 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 470 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 470 G C 1.459 176.145 174.900 -0.356 0.000 1.216 470 G CA 1.431 46.428 45.100 -0.172 0.000 0.786 470 G HN 0.894 nan 8.290 nan 0.000 0.583 471 S N 0.070 115.286 115.700 -0.806 0.000 2.440 471 S HA -0.081 4.389 4.470 0.000 0.000 0.238 471 S C 2.170 176.703 174.600 -0.110 0.000 1.010 471 S CA 0.996 58.630 58.200 -0.943 0.000 0.972 471 S CB -0.250 62.485 63.200 -0.776 0.000 0.774 471 S HN 0.199 nan 8.310 nan 0.000 0.501 472 I N 2.126 122.674 120.570 -0.037 0.000 3.291 472 I HA 0.062 4.232 4.170 0.000 0.000 0.279 472 I C 1.128 177.357 176.117 0.186 0.000 1.294 472 I CA 0.560 61.929 61.300 0.115 0.000 1.428 472 I CB -2.034 36.060 38.000 0.156 0.000 1.070 472 I HN 0.434 nan 8.210 nan 0.000 0.478 473 T N -1.042 113.604 114.554 0.152 0.000 2.824 473 T HA 0.365 4.716 4.350 0.000 0.000 0.280 473 T C -1.403 173.465 174.700 0.280 0.000 0.995 473 T CA -1.867 60.336 62.100 0.171 0.000 1.009 473 T CB 2.411 71.319 68.868 0.066 0.000 0.955 473 T HN -0.103 nan 8.240 nan 0.000 0.452 474 P HA -0.156 nan 4.420 nan 0.000 0.218 474 P C 1.856 179.371 177.300 0.359 0.000 1.148 474 P CA 1.311 64.621 63.100 0.350 0.000 0.822 474 P CB -0.308 31.543 31.700 0.252 0.000 0.784 475 V N -3.285 116.769 119.914 0.233 0.000 2.490 475 V HA -0.225 3.895 4.120 0.000 0.000 0.250 475 V C 2.392 178.541 176.094 0.092 0.000 1.061 475 V CA 1.518 63.902 62.300 0.139 0.000 1.064 475 V CB -2.292 29.494 31.823 -0.061 0.000 0.670 475 V HN -0.092 nan 8.190 nan 0.000 0.461 476 F N 1.894 121.803 119.950 -0.069 0.000 2.161 476 F HA -0.173 4.355 4.527 0.000 0.000 0.300 476 F C 2.456 178.375 175.800 0.199 0.000 1.089 476 F CA 2.346 60.297 58.000 -0.082 0.000 1.282 476 F CB -0.335 38.520 39.000 -0.241 0.000 1.010 476 F HN 0.296 nan 8.300 nan 0.000 0.485 477 H N -1.091 118.282 119.070 0.505 0.000 2.548 477 H HA 0.077 4.634 4.556 0.000 0.000 0.265 477 H C 0.471 176.047 175.328 0.413 0.000 0.969 477 H CA 0.257 56.573 56.048 0.447 0.000 1.155 477 H CB -0.188 29.844 29.762 0.450 0.000 1.394 477 H HN 0.254 nan 8.280 nan 0.000 0.570 478 Q N 2.173 122.254 119.800 0.468 0.000 2.294 478 Q HA 0.096 4.436 4.340 0.000 0.000 0.257 478 Q C -0.499 175.737 176.000 0.393 0.000 0.955 478 Q CA -0.149 55.891 55.803 0.394 0.000 0.936 478 Q CB 0.595 29.549 28.738 0.360 0.000 1.188 478 Q HN 0.242 nan 8.270 nan 0.000 0.420 479 E N 4.187 124.560 120.200 0.290 0.000 2.338 479 E HA 0.340 4.691 4.350 0.000 0.000 0.272 479 E C -0.453 176.271 176.600 0.208 0.000 1.029 479 E CA 0.015 56.544 56.400 0.214 0.000 0.872 479 E CB 0.669 30.473 29.700 0.172 0.000 1.015 479 E HN 0.659 nan 8.360 nan 0.000 0.417 480 M N 1.213 120.930 119.600 0.196 0.000 2.520 480 M HA 0.466 4.947 4.480 0.000 0.000 0.283 480 M C -1.466 174.923 176.300 0.147 0.000 1.237 480 M CA -0.929 54.487 55.300 0.194 0.000 0.885 480 M CB 1.403 34.159 32.600 0.260 0.000 1.727 480 M HN 0.217 nan 8.290 nan 0.000 0.468 481 L N 1.858 123.168 121.223 0.146 0.000 2.309 481 L HA 0.541 4.882 4.340 0.000 0.000 0.282 481 L C -0.460 176.434 176.870 0.039 0.000 1.036 481 L CA -0.415 54.517 54.840 0.152 0.000 0.806 481 L CB 1.656 43.885 42.059 0.282 0.000 1.220 481 L HN 0.822 nan 8.230 nan 0.000 0.429 482 N N 2.513 121.256 118.700 0.072 0.000 2.392 482 N HA 0.542 5.282 4.740 0.000 0.000 0.283 482 N C -1.804 173.760 175.510 0.090 0.000 1.003 482 N CA -0.444 52.593 53.050 -0.022 0.000 0.892 482 N CB 1.254 39.768 38.487 0.046 0.000 1.193 482 N HN 0.495 nan 8.380 nan 0.000 0.487 483 Y N -0.245 120.081 120.300 0.043 0.000 2.558 483 Y HA 0.407 4.957 4.550 0.000 0.000 0.333 483 Y C -1.419 174.457 175.900 -0.040 0.000 1.125 483 Y CA -1.196 56.905 58.100 0.001 0.000 1.039 483 Y CB 0.326 38.792 38.460 0.009 0.000 1.331 483 Y HN -0.025 nan 8.280 nan 0.000 0.456 484 V N 4.431 124.366 119.914 0.035 0.000 2.432 484 V HA 0.431 4.551 4.120 0.000 0.000 0.275 484 V C 0.215 176.210 176.094 -0.165 0.000 1.043 484 V CA -0.305 61.795 62.300 -0.333 0.000 0.925 484 V CB 0.570 32.021 31.823 -0.621 0.000 0.985 484 V HN 0.794 nan 8.190 nan 0.000 0.466 485 L N 2.901 124.052 121.223 -0.121 0.000 2.535 485 L HA 0.791 5.131 4.340 0.000 0.000 0.259 485 L C 0.117 176.999 176.870 0.020 0.000 1.263 485 L CA -0.598 54.254 54.840 0.020 0.000 1.282 485 L CB 1.675 43.798 42.059 0.106 0.000 1.901 485 L HN 0.622 nan 8.230 nan 0.000 0.572 486 S N -0.792 114.960 115.700 0.086 0.000 2.543 486 S HA 0.524 4.994 4.470 0.000 0.000 0.273 486 S C -2.761 171.917 174.600 0.130 0.000 1.152 486 S CA -0.973 57.302 58.200 0.125 0.000 0.910 486 S CB 1.957 65.240 63.200 0.139 0.000 1.105 486 S HN 0.120 nan 8.310 nan 0.000 0.465 487 P HA 0.455 nan 4.420 nan 0.000 0.271 487 P C -1.222 176.085 177.300 0.012 0.000 1.238 487 P CA -0.070 63.040 63.100 0.018 0.000 0.794 487 P CB 0.243 31.882 31.700 -0.103 0.000 0.959 488 F N -0.422 119.340 119.950 -0.313 0.000 2.703 488 F HA 0.402 4.929 4.527 0.000 0.000 0.308 488 F C -1.710 173.769 175.800 -0.534 0.000 1.126 488 F CA -0.689 57.047 58.000 -0.441 0.000 0.959 488 F CB 1.076 39.799 39.000 -0.462 0.000 1.297 488 F HN 0.152 nan 8.300 nan 0.000 0.441 489 Y N 4.342 124.107 120.300 -0.891 0.000 2.491 489 Y HA 0.433 4.983 4.550 0.000 0.000 0.334 489 Y C -0.982 174.591 175.900 -0.544 0.000 0.969 489 Y CA -0.691 57.071 58.100 -0.564 0.000 1.241 489 Y CB 0.289 38.377 38.460 -0.620 0.000 1.105 489 Y HN 0.335 nan 8.280 nan 0.000 0.503 490 Y N 1.265 121.627 120.300 0.103 0.000 2.335 490 Y HA 0.331 4.882 4.550 0.001 0.000 0.323 490 Y C -0.156 175.762 175.900 0.029 0.000 1.224 490 Y CA -1.060 57.128 58.100 0.148 0.000 1.241 490 Y CB 0.694 39.290 38.460 0.227 0.000 1.235 490 Y HN 0.432 nan 8.280 nan 0.000 0.492 491 Y N 1.126 121.584 120.300 0.263 0.000 2.326 491 Y HA 0.242 4.792 4.550 0.000 0.000 0.333 491 Y C 0.336 176.305 175.900 0.115 0.000 1.240 491 Y CA -0.260 57.921 58.100 0.135 0.000 1.365 491 Y CB 0.574 39.081 38.460 0.077 0.000 1.289 491 Y HN 0.458 nan 8.280 nan 0.000 0.548 492 Q N 0.190 120.119 119.800 0.215 0.000 2.445 492 Q HA 0.589 4.929 4.340 0.000 0.000 0.281 492 Q C -1.349 174.643 176.000 -0.012 0.000 1.101 492 Q CA -1.321 54.529 55.803 0.079 0.000 0.833 492 Q CB 2.416 31.174 28.738 0.033 0.000 1.416 492 Q HN 0.350 nan 8.270 nan 0.000 0.451 493 V N 1.707 121.566 119.914 -0.092 0.000 2.498 493 V HA 0.049 4.169 4.120 0.000 0.000 0.279 493 V C -0.300 175.589 176.094 -0.342 0.000 1.048 493 V CA -0.321 61.870 62.300 -0.181 0.000 0.967 493 V CB 0.927 32.651 31.823 -0.165 0.000 0.988 493 V HN 0.673 nan 8.190 nan 0.000 0.473 494 E N 3.325 123.221 120.200 -0.506 0.000 2.729 494 E HA 0.045 4.395 4.350 0.000 0.000 0.246 494 E C 1.318 177.269 176.600 -1.081 0.000 0.984 494 E CA 0.629 56.446 56.400 -0.971 0.000 0.951 494 E CB 0.344 29.118 29.700 -1.544 0.000 0.914 494 E HN 0.790 nan 8.360 nan 0.000 0.509 495 A N 4.484 126.688 122.820 -1.025 0.000 1.915 495 A HA -0.256 4.064 4.320 0.000 0.000 0.220 495 A C 1.781 178.710 177.584 -1.093 0.000 1.198 495 A CA 2.264 53.604 52.037 -1.162 0.000 0.647 495 A CB -1.133 16.677 19.000 -1.983 0.000 0.825 495 A HN 0.986 nan 8.150 nan 0.000 0.456 496 W N -0.150 120.596 121.300 -0.923 0.000 2.421 496 W HA -0.042 4.618 4.660 0.000 0.000 0.270 496 W C 1.468 177.964 176.519 -0.039 0.000 1.233 496 W CA 1.113 58.283 57.345 -0.291 0.000 1.226 496 W CB -0.264 29.300 29.460 0.174 0.000 1.121 496 W HN 0.185 nan 8.180 nan 0.000 0.579 497 K N 0.212 120.390 120.400 -0.371 0.000 2.366 497 K HA -0.017 4.304 4.320 0.000 0.000 0.198 497 K C 1.875 178.417 176.600 -0.096 0.000 1.044 497 K CA 1.738 57.930 56.287 -0.159 0.000 0.973 497 K CB -0.146 32.183 32.500 -0.284 0.000 0.767 497 K HN 0.446 nan 8.250 nan 0.000 0.475 498 T N -3.658 110.800 114.554 -0.161 0.000 2.989 498 T HA -0.017 4.333 4.350 0.000 0.000 0.250 498 T C 0.594 175.235 174.700 -0.099 0.000 0.981 498 T CA -0.349 61.683 62.100 -0.113 0.000 0.980 498 T CB -0.359 68.425 68.868 -0.139 0.000 1.133 498 T HN 0.166 nan 8.240 nan 0.000 0.489 499 H N 1.820 120.741 119.070 -0.247 0.000 3.064 499 H HA 0.349 4.906 4.556 0.000 0.000 0.329 499 H C -0.631 174.519 175.328 -0.296 0.000 1.020 499 H CA 0.339 56.220 56.048 -0.279 0.000 1.402 499 H CB 0.394 29.951 29.762 -0.341 0.000 1.379 499 H HN 0.124 nan 8.280 nan 0.000 0.594 500 V N 6.895 126.277 119.914 -0.887 0.000 2.350 500 V HA 0.074 4.194 4.120 0.000 0.000 0.276 500 V C -0.256 175.410 176.094 -0.713 0.000 1.028 500 V CA -0.661 61.305 62.300 -0.556 0.000 0.860 500 V CB 0.042 31.688 31.823 -0.295 0.000 0.990 500 V HN 0.735 nan 8.190 nan 0.000 0.453 501 W N 3.257 124.495 121.300 -0.103 0.000 2.158 501 W HA 0.388 5.049 4.660 0.000 0.000 0.339 501 W C 0.720 177.249 176.519 0.016 0.000 1.294 501 W CA -0.072 57.310 57.345 0.063 0.000 1.231 501 W CB 0.326 29.866 29.460 0.133 0.000 1.143 501 W HN 0.523 nan 8.180 nan 0.000 0.571 502 Q N 0.000 119.993 119.800 0.322 0.000 2.315 502 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 502 Q CA 0.000 55.906 55.803 0.172 0.000 1.022 502 Q CB 0.000 28.809 28.738 0.119 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481