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 1wiq_1_B DATA FIRST_RESID 1 DATA SEQUENCE KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL DATA SEQUENCE AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG DATA SEQUENCE KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN DATA SEQUENCE LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS DATA SEQUENCE GQVLLESNIK VLP 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.638 176.600 0.063 0.000 0.988 1 K CA 0.000 56.322 56.287 0.058 0.000 0.838 1 K CB 0.000 32.540 32.500 0.067 0.000 1.064 2 K N 2.576 123.022 120.400 0.076 0.000 2.351 2 K HA 0.182 4.502 4.320 -0.000 0.000 0.287 2 K C -0.409 176.238 176.600 0.078 0.000 1.068 2 K CA -0.066 56.267 56.287 0.077 0.000 0.998 2 K CB 0.114 32.673 32.500 0.099 0.000 0.968 2 K HN 0.171 nan 8.250 nan 0.000 0.464 3 V N 2.923 122.875 119.914 0.064 0.000 2.284 3 V HA 0.222 4.342 4.120 -0.000 0.000 0.274 3 V C -0.119 176.010 176.094 0.058 0.000 1.023 3 V CA -1.093 61.247 62.300 0.066 0.000 0.808 3 V CB 0.704 32.569 31.823 0.069 0.000 1.035 3 V HN 0.352 nan 8.190 nan 0.000 0.445 4 V N 5.545 125.486 119.914 0.046 0.000 2.547 4 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 4 V C 0.149 176.269 176.094 0.043 0.000 1.040 4 V CA -0.609 61.709 62.300 0.031 0.000 0.913 4 V CB 1.863 33.686 31.823 -0.001 0.000 0.992 4 V HN 0.664 nan 8.190 nan 0.000 0.449 5 L N 2.813 124.073 121.223 0.062 0.000 2.387 5 L HA 0.957 5.297 4.340 -0.000 0.000 0.266 5 L C 0.644 177.551 176.870 0.062 0.000 1.059 5 L CA -0.311 54.598 54.840 0.116 0.000 0.801 5 L CB 1.522 43.694 42.059 0.189 0.000 1.223 5 L HN 0.817 nan 8.230 nan 0.000 0.456 6 G N 0.183 109.037 108.800 0.090 0.000 2.690 6 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 6 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 6 G C -1.707 173.260 174.900 0.112 0.000 1.403 6 G CA -0.658 44.471 45.100 0.049 0.000 0.864 6 G HN 0.440 nan 8.290 nan 0.000 0.480 7 K N 0.595 121.052 120.400 0.096 0.000 2.156 7 K HA 0.367 4.687 4.320 -0.000 0.000 0.254 7 K C -0.063 176.631 176.600 0.156 0.000 0.950 7 K CA -0.858 55.552 56.287 0.205 0.000 0.849 7 K CB 2.591 35.197 32.500 0.177 0.000 1.100 7 K HN 0.477 nan 8.250 nan 0.000 0.434 8 K N 0.860 121.365 120.400 0.177 0.000 2.489 8 K HA -0.072 4.248 4.320 -0.000 0.000 0.278 8 K C 0.779 177.420 176.600 0.069 0.000 1.000 8 K CA 1.337 57.678 56.287 0.090 0.000 1.012 8 K CB 0.087 32.624 32.500 0.062 0.000 0.903 8 K HN 0.804 nan 8.250 nan 0.000 0.485 9 G N 3.160 111.984 108.800 0.039 0.000 2.322 9 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G C 0.515 175.432 174.900 0.027 0.000 0.992 9 G CA 0.670 45.786 45.100 0.028 0.000 0.624 9 G HN 0.827 nan 8.290 nan 0.000 0.543 10 D N 0.340 120.763 120.400 0.039 0.000 2.025 10 D HA 0.466 5.106 4.640 -0.000 0.000 0.270 10 D C 1.175 177.479 176.300 0.007 0.000 1.135 10 D CA 1.628 55.645 54.000 0.029 0.000 0.978 10 D CB 0.401 41.226 40.800 0.041 0.000 1.178 10 D HN 0.714 nan 8.370 nan 0.000 0.487 11 T N -2.468 112.082 114.554 -0.006 0.000 2.739 11 T HA 0.560 4.910 4.350 -0.000 0.000 0.303 11 T C -1.193 173.485 174.700 -0.037 0.000 1.389 11 T CA -0.469 61.617 62.100 -0.024 0.000 1.001 11 T CB 0.826 69.680 68.868 -0.023 0.000 1.436 11 T HN 0.353 nan 8.240 nan 0.000 0.500 12 V N -1.196 118.681 119.914 -0.060 0.000 3.204 12 V HA 0.827 4.947 4.120 -0.000 0.000 0.298 12 V C -1.241 174.799 176.094 -0.091 0.000 1.328 12 V CA -1.041 61.216 62.300 -0.072 0.000 1.035 12 V CB 1.671 33.439 31.823 -0.091 0.000 1.095 12 V HN 1.244 nan 8.190 nan 0.000 0.442 13 E N 1.450 121.604 120.200 -0.076 0.000 2.199 13 E HA 0.626 4.976 4.350 -0.000 0.000 0.265 13 E C -1.984 174.575 176.600 -0.067 0.000 0.882 13 E CA -0.888 55.470 56.400 -0.070 0.000 0.759 13 E CB 2.002 31.685 29.700 -0.029 0.000 1.148 13 E HN 0.672 nan 8.360 nan 0.000 0.412 14 L N 4.025 125.186 121.223 -0.104 0.000 2.275 14 L HA 0.286 4.626 4.340 -0.000 0.000 0.288 14 L C 0.175 177.158 176.870 0.187 0.000 1.046 14 L CA -0.061 54.754 54.840 -0.042 0.000 0.805 14 L CB 1.388 43.237 42.059 -0.350 0.000 1.193 14 L HN 0.601 nan 8.230 nan 0.000 0.426 15 T N -0.287 114.385 114.554 0.195 0.000 2.828 15 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 15 T C -0.118 174.749 174.700 0.278 0.000 1.019 15 T CA -0.675 61.541 62.100 0.193 0.000 1.031 15 T CB 1.213 70.143 68.868 0.103 0.000 1.001 15 T HN 0.785 nan 8.240 nan 0.000 0.531 16 C N 2.004 121.391 119.300 0.145 0.000 3.224 16 C HA 0.535 4.995 4.460 -0.000 0.000 0.433 16 C C -0.140 174.843 174.990 -0.011 0.000 0.960 16 C CA -0.180 58.867 59.018 0.049 0.000 1.253 16 C CB -0.294 27.430 27.740 -0.028 0.000 1.640 16 C HN 1.161 nan 8.230 nan 0.000 0.591 17 T N 2.763 117.306 114.554 -0.019 0.000 2.574 17 T HA 1.046 5.396 4.350 -0.000 0.000 0.224 17 T C 0.044 174.754 174.700 0.017 0.000 0.792 17 T CA 0.264 62.323 62.100 -0.068 0.000 1.317 17 T CB 0.939 69.745 68.868 -0.105 0.000 1.590 17 T HN 2.443 nan 8.240 nan 0.000 0.456 18 A N -0.131 122.686 122.820 -0.004 0.000 2.325 18 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 18 A C -0.045 177.541 177.584 0.003 0.000 0.966 18 A CA -0.231 51.814 52.037 0.014 0.000 0.541 18 A CB -0.572 18.456 19.000 0.046 0.000 1.523 18 A HN 0.558 nan 8.150 nan 0.000 0.597 19 S N -0.594 115.109 115.700 0.006 0.000 2.393 19 S HA 0.407 4.877 4.470 -0.000 0.000 0.255 19 S C 1.366 175.973 174.600 0.011 0.000 1.210 19 S CA 1.135 59.336 58.200 0.000 0.000 1.013 19 S CB -0.023 63.176 63.200 -0.002 0.000 1.055 19 S HN 2.043 nan 8.310 nan 0.000 0.483 20 Q N 0.685 120.490 119.800 0.009 0.000 2.087 20 Q HA -0.400 3.940 4.340 -0.000 0.000 0.153 20 Q C 0.587 176.601 176.000 0.022 0.000 0.706 20 Q CA 2.428 58.242 55.803 0.017 0.000 1.467 20 Q CB -2.148 26.604 28.738 0.022 0.000 1.557 20 Q HN 0.847 nan 8.270 nan 0.000 0.862 21 K N 1.928 122.336 120.400 0.013 0.000 2.947 21 K HA -0.257 4.063 4.320 -0.000 0.000 0.279 21 K C 0.187 176.789 176.600 0.002 0.000 1.052 21 K CA 2.176 58.452 56.287 -0.019 0.000 0.838 21 K CB -0.547 31.932 32.500 -0.036 0.000 1.230 21 K HN 0.797 nan 8.250 nan 0.000 0.436 22 K N -0.240 120.195 120.400 0.057 0.000 2.090 22 K HA 0.202 4.522 4.320 -0.000 0.000 0.249 22 K C -0.284 176.414 176.600 0.162 0.000 0.995 22 K CA -0.502 55.830 56.287 0.076 0.000 0.914 22 K CB 1.141 33.674 32.500 0.056 0.000 1.057 22 K HN -0.094 nan 8.250 nan 0.000 0.462 23 S N 1.762 117.557 115.700 0.159 0.000 2.643 23 S HA 0.085 4.555 4.470 -0.000 0.000 0.329 23 S C 0.321 175.003 174.600 0.135 0.000 1.193 23 S CA -0.386 57.951 58.200 0.228 0.000 1.293 23 S CB -1.275 62.042 63.200 0.195 0.000 1.205 23 S HN 0.498 nan 8.310 nan 0.000 0.550 24 I N 1.307 121.951 120.570 0.124 0.000 3.067 24 I HA 0.583 4.753 4.170 -0.000 0.000 0.312 24 I C -0.068 175.835 176.117 -0.356 0.000 1.073 24 I CA -1.560 59.672 61.300 -0.112 0.000 1.016 24 I CB 1.369 39.314 38.000 -0.091 0.000 1.227 24 I HN 0.261 nan 8.210 nan 0.000 0.456 25 Q N 2.074 121.674 119.800 -0.333 0.000 2.392 25 Q HA 0.434 4.774 4.340 -0.000 0.000 0.262 25 Q C -1.386 174.281 176.000 -0.555 0.000 1.003 25 Q CA 0.108 55.658 55.803 -0.422 0.000 0.888 25 Q CB 0.749 29.299 28.738 -0.315 0.000 1.260 25 Q HN 0.591 nan 8.270 nan 0.000 0.435 26 F N 0.163 119.654 119.950 -0.766 0.000 2.713 26 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 26 F C -1.741 173.732 175.800 -0.545 0.000 1.141 26 F CA -0.999 56.500 58.000 -0.835 0.000 0.939 26 F CB 1.309 39.676 39.000 -1.055 0.000 1.325 26 F HN 0.697 nan 8.300 nan 0.000 0.453 27 H N -1.206 117.704 119.070 -0.267 0.000 3.154 27 H HA 0.229 4.785 4.556 -0.000 0.000 0.330 27 H C -2.536 172.793 175.328 0.001 0.000 1.033 27 H CA -1.186 54.751 56.048 -0.185 0.000 1.393 27 H CB 0.580 30.233 29.762 -0.182 0.000 1.951 27 H HN 0.881 nan 8.280 nan 0.000 0.466 28 W N 4.610 126.073 121.300 0.273 0.000 2.358 28 W HA 0.313 4.973 4.660 -0.000 0.000 0.307 28 W C -0.231 176.399 176.519 0.185 0.000 1.203 28 W CA -0.462 57.040 57.345 0.261 0.000 1.279 28 W CB 1.276 30.913 29.460 0.295 0.000 1.264 28 W HN 0.512 nan 8.180 nan 0.000 0.474 29 K N 2.661 123.320 120.400 0.431 0.000 2.375 29 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 29 K C -0.305 176.392 176.600 0.161 0.000 0.942 29 K CA -1.200 55.215 56.287 0.212 0.000 0.806 29 K CB 1.314 33.866 32.500 0.087 0.000 1.227 29 K HN 0.332 nan 8.250 nan 0.000 0.430 30 N N -0.255 118.432 118.700 -0.021 0.000 2.413 30 N HA -0.019 4.721 4.740 -0.000 0.000 0.266 30 N C 0.625 176.079 175.510 -0.093 0.000 1.238 30 N CA -0.434 52.491 53.050 -0.209 0.000 0.972 30 N CB 0.694 38.923 38.487 -0.430 0.000 1.210 30 N HN 0.702 nan 8.380 nan 0.000 0.547 31 S N -0.904 114.734 115.700 -0.103 0.000 2.488 31 S HA -0.199 4.271 4.470 -0.000 0.000 0.246 31 S C 0.371 174.945 174.600 -0.044 0.000 0.992 31 S CA 0.997 59.171 58.200 -0.043 0.000 0.963 31 S CB -1.075 62.103 63.200 -0.036 0.000 0.754 31 S HN 0.700 nan 8.310 nan 0.000 0.519 32 N N 1.155 119.816 118.700 -0.065 0.000 2.313 32 N HA 0.152 4.892 4.740 -0.000 0.000 0.207 32 N C -0.358 175.128 175.510 -0.040 0.000 1.141 32 N CA -0.015 53.005 53.050 -0.050 0.000 0.830 32 N CB 0.108 38.559 38.487 -0.059 0.000 1.008 32 N HN 0.049 nan 8.380 nan 0.000 0.481 33 Q N -0.516 119.264 119.800 -0.033 0.000 2.480 33 Q HA -0.199 4.141 4.340 -0.000 0.000 0.265 33 Q C -0.560 175.418 176.000 -0.037 0.000 1.072 33 Q CA 0.965 56.750 55.803 -0.030 0.000 1.018 33 Q CB -2.084 26.635 28.738 -0.032 0.000 1.433 33 Q HN 0.575 nan 8.270 nan 0.000 0.513 34 I N 0.932 121.483 120.570 -0.032 0.000 2.385 34 I HA 0.144 4.314 4.170 -0.000 0.000 0.294 34 I C 0.695 176.814 176.117 0.004 0.000 0.988 34 I CA -0.507 60.778 61.300 -0.024 0.000 1.265 34 I CB 1.050 39.034 38.000 -0.027 0.000 1.388 34 I HN -0.184 nan 8.210 nan 0.000 0.480 35 K N 6.689 127.091 120.400 0.004 0.000 2.292 35 K HA 0.263 4.583 4.320 -0.000 0.000 0.290 35 K C 0.763 177.418 176.600 0.092 0.000 1.083 35 K CA -0.335 55.978 56.287 0.043 0.000 0.918 35 K CB 0.959 33.450 32.500 -0.015 0.000 1.089 35 K HN 0.521 nan 8.250 nan 0.000 0.473 36 I N 2.497 123.167 120.570 0.166 0.000 2.058 36 I HA -0.227 3.943 4.170 -0.000 0.000 0.235 36 I C 0.968 177.190 176.117 0.175 0.000 1.053 36 I CA 1.643 63.050 61.300 0.178 0.000 1.313 36 I CB -0.802 37.350 38.000 0.254 0.000 1.039 36 I HN 0.518 nan 8.210 nan 0.000 0.396 37 L N -2.476 118.895 121.223 0.247 0.000 2.622 37 L HA 0.897 5.237 4.340 -0.000 0.000 0.258 37 L C -0.703 176.279 176.870 0.187 0.000 0.996 37 L CA -0.392 54.581 54.840 0.222 0.000 0.858 37 L CB 1.546 43.773 42.059 0.280 0.000 1.449 37 L HN 0.075 nan 8.230 nan 0.000 0.411 38 G N 0.287 109.113 108.800 0.042 0.000 2.870 38 G HA2 0.698 4.658 3.960 -0.000 0.000 0.299 38 G HA3 0.698 4.658 3.960 -0.000 0.000 0.299 38 G C -1.792 172.908 174.900 -0.334 0.000 1.324 38 G CA -0.310 44.624 45.100 -0.275 0.000 0.808 38 G HN 1.088 nan 8.290 nan 0.000 0.535 39 N N -2.991 115.364 118.700 -0.576 0.000 2.571 39 N HA 0.701 5.441 4.740 -0.000 0.000 0.273 39 N C -0.821 174.558 175.510 -0.217 0.000 1.340 39 N CA -0.207 52.631 53.050 -0.354 0.000 0.789 39 N CB 1.520 39.569 38.487 -0.731 0.000 1.514 39 N HN 1.253 nan 8.380 nan 0.000 0.499 40 Q N -0.622 119.125 119.800 -0.089 0.000 4.056 40 Q HA 0.580 4.920 4.340 -0.000 0.000 0.163 40 Q C 0.500 176.406 176.000 -0.158 0.000 0.865 40 Q CA 0.016 55.751 55.803 -0.114 0.000 0.779 40 Q CB -0.672 28.026 28.738 -0.067 0.000 1.500 40 Q HN 1.896 nan 8.270 nan 0.000 0.462 41 G N 0.403 109.132 108.800 -0.117 0.000 2.512 41 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.240 41 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.240 41 G C 1.483 176.508 174.900 0.208 0.000 1.246 41 G CA 0.876 45.924 45.100 -0.087 0.000 0.919 41 G HN 2.003 nan 8.290 nan 0.000 0.577 42 S N -0.429 115.431 115.700 0.267 0.000 2.447 42 S HA 0.172 4.642 4.470 -0.000 0.000 0.233 42 S C 1.023 176.028 174.600 0.676 0.000 1.006 42 S CA 1.337 59.847 58.200 0.517 0.000 0.957 42 S CB -0.105 63.346 63.200 0.417 0.000 0.773 42 S HN 0.838 nan 8.310 nan 0.000 0.507 43 F N 2.990 123.089 119.950 0.249 0.000 2.506 43 F HA 0.457 4.984 4.527 -0.000 0.000 0.369 43 F C 0.257 176.229 175.800 0.286 0.000 1.114 43 F CA -2.361 55.756 58.000 0.195 0.000 1.121 43 F CB -0.786 38.286 39.000 0.121 0.000 1.104 43 F HN 0.126 nan 8.300 nan 0.000 0.564 44 L N 4.835 126.339 121.223 0.468 0.000 2.349 44 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 44 L C 0.293 177.340 176.870 0.295 0.000 1.115 44 L CA 0.129 55.265 54.840 0.494 0.000 0.820 44 L CB 0.982 43.251 42.059 0.349 0.000 1.135 44 L HN 0.699 nan 8.230 nan 0.000 0.445 45 T N 1.657 116.363 114.554 0.253 0.000 2.916 45 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 45 T C -0.458 174.330 174.700 0.146 0.000 1.064 45 T CA -0.874 61.321 62.100 0.157 0.000 1.011 45 T CB 1.991 70.924 68.868 0.108 0.000 1.152 45 T HN 0.698 nan 8.240 nan 0.000 0.510 46 K N -0.913 119.552 120.400 0.109 0.000 2.263 46 K HA 0.795 5.115 4.320 -0.000 0.000 0.249 46 K C -0.137 176.507 176.600 0.073 0.000 1.076 46 K CA -0.580 55.770 56.287 0.104 0.000 0.884 46 K CB 1.886 34.440 32.500 0.091 0.000 1.394 46 K HN 1.018 nan 8.250 nan 0.000 0.476 47 G N -0.108 108.732 108.800 0.068 0.000 2.644 47 G HA2 0.364 4.324 3.960 -0.000 0.000 0.307 47 G HA3 0.364 4.324 3.960 -0.000 0.000 0.307 47 G C -2.090 172.830 174.900 0.032 0.000 1.250 47 G CA -1.355 43.772 45.100 0.044 0.000 0.996 47 G HN 0.482 nan 8.290 nan 0.000 0.489 48 P HA -0.043 nan 4.420 nan 0.000 0.223 48 P C 1.139 178.446 177.300 0.011 0.000 1.151 48 P CA 0.614 63.721 63.100 0.012 0.000 0.787 48 P CB -0.059 31.644 31.700 0.004 0.000 0.788 49 S N 0.407 116.115 115.700 0.013 0.000 2.553 49 S HA -0.052 4.418 4.470 -0.000 0.000 0.293 49 S C 1.280 175.888 174.600 0.013 0.000 1.296 49 S CA -0.096 58.109 58.200 0.009 0.000 1.046 49 S CB 0.405 63.613 63.200 0.014 0.000 0.810 49 S HN 0.069 nan 8.310 nan 0.000 0.505 50 K N 0.573 120.977 120.400 0.006 0.000 2.218 50 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 50 K C 1.696 178.308 176.600 0.020 0.000 1.046 50 K CA 1.120 57.412 56.287 0.009 0.000 0.933 50 K CB -0.415 32.086 32.500 0.002 0.000 0.728 50 K HN 0.478 nan 8.250 nan 0.000 0.454 51 L N 1.884 123.126 121.223 0.030 0.000 2.201 51 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 51 L C 1.533 178.429 176.870 0.043 0.000 1.105 51 L CA 1.161 56.029 54.840 0.047 0.000 0.775 51 L CB -0.965 41.144 42.059 0.083 0.000 0.913 51 L HN 0.299 nan 8.230 nan 0.000 0.440 52 N N 1.058 119.783 118.700 0.042 0.000 0.937 52 N HA -0.333 4.407 4.740 -0.000 0.000 0.158 52 N C 0.464 175.998 175.510 0.041 0.000 0.279 52 N CA 2.535 55.610 53.050 0.042 0.000 0.922 52 N CB -0.608 37.897 38.487 0.031 0.000 1.720 52 N HN 0.489 nan 8.380 nan 0.000 0.551 53 D N 0.280 120.698 120.400 0.031 0.000 2.488 53 D HA -0.026 4.614 4.640 -0.000 0.000 0.260 53 D C 1.158 177.470 176.300 0.020 0.000 1.273 53 D CA 0.611 54.627 54.000 0.026 0.000 0.912 53 D CB -0.497 40.314 40.800 0.019 0.000 0.982 53 D HN 0.363 nan 8.370 nan 0.000 0.492 54 R N -0.946 119.568 120.500 0.022 0.000 2.539 54 R HA 0.407 4.747 4.340 -0.000 0.000 0.342 54 R C -0.420 175.885 176.300 0.008 0.000 0.941 54 R CA -0.131 55.977 56.100 0.012 0.000 1.146 54 R CB 0.973 31.279 30.300 0.010 0.000 1.541 54 R HN 0.201 nan 8.270 nan 0.000 0.525 55 A N 0.194 123.027 122.820 0.022 0.000 2.311 55 A HA 0.565 4.885 4.320 -0.000 0.000 0.334 55 A C -1.087 176.523 177.584 0.044 0.000 1.139 55 A CA -0.413 51.635 52.037 0.017 0.000 0.830 55 A CB 1.294 20.315 19.000 0.035 0.000 1.234 55 A HN 0.211 nan 8.150 nan 0.000 0.483 56 D N -0.486 119.945 120.400 0.051 0.000 2.663 56 D HA 0.449 5.089 4.640 -0.000 0.000 0.233 56 D C -1.596 174.782 176.300 0.129 0.000 1.240 56 D CA -0.079 53.971 54.000 0.083 0.000 0.774 56 D CB 2.167 42.986 40.800 0.032 0.000 1.443 56 D HN 0.508 nan 8.370 nan 0.000 0.441 57 S N 0.913 116.724 115.700 0.185 0.000 2.542 57 S HA 0.536 5.006 4.470 -0.000 0.000 0.293 57 S C -0.901 173.692 174.600 -0.012 0.000 1.089 57 S CA -0.707 57.654 58.200 0.268 0.000 0.961 57 S CB 1.284 64.920 63.200 0.726 0.000 1.062 57 S HN 0.341 nan 8.310 nan 0.000 0.483 58 R N 3.225 123.686 120.500 -0.065 0.000 2.248 58 R HA 0.273 4.613 4.340 -0.000 0.000 0.337 58 R C 1.119 177.056 176.300 -0.605 0.000 1.106 58 R CA -0.314 55.641 56.100 -0.241 0.000 0.959 58 R CB 0.409 30.647 30.300 -0.104 0.000 1.075 58 R HN 0.629 nan 8.270 nan 0.000 0.480 59 R N 0.731 120.686 120.500 -0.908 0.000 2.105 59 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 59 R C 2.186 178.295 176.300 -0.318 0.000 1.135 59 R CA 2.149 57.569 56.100 -1.134 0.000 0.967 59 R CB -0.130 29.676 30.300 -0.824 0.000 0.861 59 R HN 0.617 nan 8.270 nan 0.000 0.442 60 S N 1.339 116.921 115.700 -0.197 0.000 2.343 60 S HA -0.142 4.328 4.470 -0.000 0.000 0.219 60 S C 1.950 176.543 174.600 -0.011 0.000 1.033 60 S CA 0.976 59.140 58.200 -0.060 0.000 1.014 60 S CB -0.666 62.498 63.200 -0.060 0.000 0.915 60 S HN 0.241 nan 8.310 nan 0.000 0.435 61 L N -0.480 120.719 121.223 -0.040 0.000 2.651 61 L HA -0.073 4.267 4.340 -0.000 0.000 0.236 61 L C 2.300 179.198 176.870 0.046 0.000 1.173 61 L CA 0.583 55.415 54.840 -0.014 0.000 0.843 61 L CB -0.515 41.527 42.059 -0.028 0.000 0.964 61 L HN 0.420 nan 8.230 nan 0.000 0.454 62 W N 0.208 121.451 121.300 -0.094 0.000 2.379 62 W HA -0.163 4.497 4.660 -0.000 0.000 0.307 62 W C 2.399 178.841 176.519 -0.129 0.000 1.200 62 W CA 0.409 57.688 57.345 -0.109 0.000 1.297 62 W CB -0.763 28.775 29.460 0.130 0.000 1.140 62 W HN 0.209 nan 8.180 nan 0.000 0.507 63 D N -0.289 120.235 120.400 0.207 0.000 2.158 63 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 63 D C 1.162 177.465 176.300 0.005 0.000 0.995 63 D CA 1.324 55.390 54.000 0.109 0.000 0.846 63 D CB -0.156 40.700 40.800 0.093 0.000 0.941 63 D HN 0.310 nan 8.370 nan 0.000 0.456 64 Q N -0.945 118.825 119.800 -0.051 0.000 2.253 64 Q HA 0.221 4.561 4.340 -0.000 0.000 0.210 64 Q C 1.120 176.999 176.000 -0.202 0.000 0.907 64 Q CA 0.262 56.008 55.803 -0.096 0.000 0.948 64 Q CB 0.648 29.342 28.738 -0.074 0.000 1.033 64 Q HN 0.354 nan 8.270 nan 0.000 0.471 65 G N 0.753 109.339 108.800 -0.357 0.000 2.336 65 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G C 0.069 174.298 174.900 -1.118 0.000 1.053 65 G CA -0.097 44.644 45.100 -0.598 0.000 0.625 65 G HN 0.459 nan 8.290 nan 0.000 0.511 66 N N 0.285 118.558 118.700 -0.710 0.000 2.513 66 N HA 0.538 5.278 4.740 -0.000 0.000 0.268 66 N C -0.677 174.364 175.510 -0.782 0.000 1.180 66 N CA 0.244 52.940 53.050 -0.590 0.000 0.948 66 N CB 0.262 38.622 38.487 -0.210 0.000 1.083 66 N HN 0.161 nan 8.380 nan 0.000 0.455 67 F N 1.475 121.275 119.950 -0.250 0.000 2.564 67 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 67 F C -2.174 173.562 175.800 -0.105 0.000 1.458 67 F CA -2.096 55.501 58.000 -0.672 0.000 1.117 67 F CB 0.478 38.516 39.000 -1.604 0.000 1.383 67 F HN 0.273 nan 8.300 nan 0.000 0.571 68 P HA 0.131 nan 4.420 nan 0.000 0.272 68 P C -0.726 176.836 177.300 0.437 0.000 1.223 68 P CA -0.192 63.115 63.100 0.345 0.000 0.784 68 P CB 2.482 34.282 31.700 0.167 0.000 0.923 69 L N 4.019 125.377 121.223 0.226 0.000 2.316 69 L HA 0.486 4.826 4.340 -0.000 0.000 0.280 69 L C -0.630 176.135 176.870 -0.174 0.000 1.006 69 L CA -0.620 54.123 54.840 -0.161 0.000 0.836 69 L CB 0.344 41.748 42.059 -1.092 0.000 1.221 69 L HN 0.291 nan 8.230 nan 0.000 0.418 70 I N 6.026 126.548 120.570 -0.080 0.000 2.339 70 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 70 I C -0.698 175.364 176.117 -0.090 0.000 0.994 70 I CA -0.416 60.838 61.300 -0.077 0.000 1.191 70 I CB 1.184 39.168 38.000 -0.027 0.000 1.343 70 I HN 0.556 nan 8.210 nan 0.000 0.458 71 I N 8.008 128.509 120.570 -0.116 0.000 2.355 71 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 71 I C 0.153 176.236 176.117 -0.056 0.000 0.999 71 I CA -0.608 60.637 61.300 -0.092 0.000 1.163 71 I CB 1.224 39.146 38.000 -0.131 0.000 1.316 71 I HN 0.538 nan 8.210 nan 0.000 0.454 72 K N 3.690 124.071 120.400 -0.031 0.000 2.863 72 K HA 0.272 4.591 4.320 -0.000 0.000 0.304 72 K C 0.121 176.714 176.600 -0.012 0.000 1.015 72 K CA -0.714 55.562 56.287 -0.019 0.000 1.093 72 K CB 0.031 32.525 32.500 -0.010 0.000 1.345 72 K HN 0.410 nan 8.250 nan 0.000 0.500 73 N N 1.534 120.232 118.700 -0.004 0.000 3.107 73 N HA -0.197 4.543 4.740 -0.000 0.000 0.302 73 N C -0.937 174.575 175.510 0.003 0.000 1.099 73 N CA 0.072 53.124 53.050 0.002 0.000 0.861 73 N CB -0.969 37.520 38.487 0.003 0.000 0.926 73 N HN 0.279 nan 8.380 nan 0.000 0.630 74 L N 0.974 122.199 121.223 0.003 0.000 2.745 74 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 74 L C 1.000 177.875 176.870 0.009 0.000 1.156 74 L CA 0.603 55.445 54.840 0.003 0.000 0.982 74 L CB 0.045 42.107 42.059 0.006 0.000 1.295 74 L HN 0.372 nan 8.230 nan 0.000 0.483 75 K N 2.925 123.329 120.400 0.008 0.000 2.276 75 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 75 K C 1.103 177.703 176.600 -0.000 0.000 1.044 75 K CA -0.630 55.660 56.287 0.005 0.000 0.944 75 K CB 1.217 33.721 32.500 0.007 0.000 1.012 75 K HN 0.358 nan 8.250 nan 0.000 0.472 76 I N 2.641 123.206 120.570 -0.008 0.000 2.236 76 I HA -0.336 3.834 4.170 -0.000 0.000 0.249 76 I C 1.574 177.674 176.117 -0.030 0.000 1.102 76 I CA 1.566 62.850 61.300 -0.026 0.000 1.365 76 I CB -0.531 37.451 38.000 -0.029 0.000 1.051 76 I HN 0.672 nan 8.210 nan 0.000 0.420 77 E N 0.343 120.533 120.200 -0.015 0.000 2.335 77 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 77 E C 0.165 176.770 176.600 0.007 0.000 1.150 77 E CA 0.341 56.734 56.400 -0.011 0.000 1.001 77 E CB -0.383 29.311 29.700 -0.011 0.000 1.127 77 E HN 0.503 nan 8.360 nan 0.000 0.462 78 D N 0.807 121.222 120.400 0.024 0.000 2.367 78 D HA 0.009 4.649 4.640 -0.000 0.000 0.207 78 D C -0.008 176.372 176.300 0.132 0.000 1.034 78 D CA 0.171 54.224 54.000 0.088 0.000 0.861 78 D CB 0.332 41.180 40.800 0.079 0.000 0.943 78 D HN -0.028 nan 8.370 nan 0.000 0.515 79 S N 1.936 117.664 115.700 0.047 0.000 2.611 79 S HA 0.085 4.555 4.470 -0.000 0.000 0.317 79 S C -0.052 174.587 174.600 0.065 0.000 1.208 79 S CA 0.426 58.649 58.200 0.039 0.000 1.217 79 S CB 0.292 63.462 63.200 -0.050 0.000 1.085 79 S HN 0.161 nan 8.310 nan 0.000 0.529 80 D N 0.722 121.223 120.400 0.169 0.000 2.677 80 D HA 0.335 4.975 4.640 -0.000 0.000 0.298 80 D C -1.090 175.321 176.300 0.185 0.000 1.250 80 D CA -0.443 53.594 54.000 0.063 0.000 0.888 80 D CB 1.785 42.461 40.800 -0.206 0.000 1.397 80 D HN 0.236 nan 8.370 nan 0.000 0.461 81 T N 1.667 116.267 114.554 0.076 0.000 2.801 81 T HA 0.414 4.764 4.350 -0.000 0.000 0.306 81 T C -0.645 174.149 174.700 0.156 0.000 1.020 81 T CA -0.314 61.888 62.100 0.171 0.000 0.948 81 T CB -0.304 68.621 68.868 0.096 0.000 0.962 81 T HN 0.095 nan 8.240 nan 0.000 0.465 82 Y N 2.226 122.603 120.300 0.129 0.000 2.354 82 Y HA 0.645 5.195 4.550 -0.000 0.000 0.322 82 Y C 0.561 176.667 175.900 0.344 0.000 1.253 82 Y CA -1.681 56.553 58.100 0.224 0.000 1.272 82 Y CB 0.692 39.254 38.460 0.170 0.000 1.255 82 Y HN 0.445 nan 8.280 nan 0.000 0.500 83 I N 1.241 122.133 120.570 0.538 0.000 2.545 83 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 83 I C -1.139 175.117 176.117 0.233 0.000 1.040 83 I CA -0.648 60.853 61.300 0.335 0.000 1.068 83 I CB 1.979 40.085 38.000 0.177 0.000 1.251 83 I HN 0.494 nan 8.210 nan 0.000 0.424 84 C N 5.230 124.412 119.300 -0.197 0.000 2.250 84 C HA 0.288 4.747 4.460 -0.000 0.000 0.319 84 C C 0.276 175.068 174.990 -0.330 0.000 1.124 84 C CA -0.404 58.180 59.018 -0.724 0.000 1.527 84 C CB -0.605 26.200 27.740 -1.558 0.000 2.001 84 C HN 0.699 nan 8.230 nan 0.000 0.435 85 E N 3.561 123.663 120.200 -0.163 0.000 2.003 85 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 85 E C -0.326 176.059 176.600 -0.359 0.000 1.132 85 E CA -0.020 56.301 56.400 -0.133 0.000 0.888 85 E CB 0.780 30.554 29.700 0.123 0.000 1.056 85 E HN 0.549 nan 8.360 nan 0.000 0.399 86 V N 2.488 122.233 119.914 -0.281 0.000 3.093 86 V HA 0.035 4.155 4.120 -0.000 0.000 0.320 86 V C 1.249 177.209 176.094 -0.224 0.000 1.093 86 V CA -0.727 61.391 62.300 -0.304 0.000 1.016 86 V CB 1.673 33.377 31.823 -0.199 0.000 1.096 86 V HN 0.620 nan 8.190 nan 0.000 0.452 87 E N 1.205 121.275 120.200 -0.217 0.000 2.659 87 E HA -0.270 4.080 4.350 -0.000 0.000 0.272 87 E C 0.137 176.681 176.600 -0.094 0.000 1.307 87 E CA 1.860 58.174 56.400 -0.144 0.000 0.964 87 E CB -0.462 29.178 29.700 -0.101 0.000 0.813 87 E HN 0.763 nan 8.360 nan 0.000 0.488 88 D N -1.578 118.770 120.400 -0.085 0.000 4.437 88 D HA -0.044 4.596 4.640 -0.000 0.000 0.097 88 D C -0.628 175.647 176.300 -0.043 0.000 0.398 88 D CA 0.406 54.374 54.000 -0.053 0.000 0.575 88 D CB -1.079 39.697 40.800 -0.040 0.000 1.641 88 D HN 0.364 nan 8.370 nan 0.000 0.033 89 Q N 0.161 119.930 119.800 -0.052 0.000 2.633 89 Q HA 0.411 4.751 4.340 -0.000 0.000 0.289 89 Q C -1.657 174.317 176.000 -0.043 0.000 0.940 89 Q CA -0.593 55.188 55.803 -0.037 0.000 0.785 89 Q CB 1.885 30.603 28.738 -0.032 0.000 1.467 89 Q HN -0.089 nan 8.270 nan 0.000 0.401 90 K N 1.620 122.007 120.400 -0.023 0.000 2.345 90 K HA 0.426 4.746 4.320 -0.000 0.000 0.255 90 K C -1.227 175.371 176.600 -0.004 0.000 0.934 90 K CA -0.810 55.468 56.287 -0.015 0.000 0.801 90 K CB 1.906 34.412 32.500 0.011 0.000 1.137 90 K HN 0.364 nan 8.250 nan 0.000 0.424 91 E N 2.528 122.721 120.200 -0.012 0.000 2.113 91 E HA 0.131 4.481 4.350 -0.000 0.000 0.273 91 E C -0.952 175.711 176.600 0.104 0.000 0.924 91 E CA -0.345 56.071 56.400 0.026 0.000 0.764 91 E CB 1.720 31.413 29.700 -0.013 0.000 1.104 91 E HN 0.472 nan 8.360 nan 0.000 0.406 92 E N 1.852 122.120 120.200 0.113 0.000 2.200 92 E HA 0.320 4.670 4.350 -0.000 0.000 0.283 92 E C -0.925 175.783 176.600 0.180 0.000 1.015 92 E CA -0.466 56.024 56.400 0.150 0.000 0.819 92 E CB 1.366 31.129 29.700 0.104 0.000 1.081 92 E HN 0.114 nan 8.360 nan 0.000 0.397 93 V N 4.129 124.193 119.914 0.250 0.000 2.569 93 V HA 0.205 4.325 4.120 -0.000 0.000 0.301 93 V C -0.497 175.731 176.094 0.223 0.000 1.044 93 V CA -0.876 61.557 62.300 0.221 0.000 0.874 93 V CB 1.599 33.574 31.823 0.254 0.000 1.002 93 V HN 0.642 nan 8.190 nan 0.000 0.424 94 Q N 3.578 123.471 119.800 0.154 0.000 2.340 94 Q HA 0.599 4.939 4.340 -0.000 0.000 0.259 94 Q C -1.408 174.652 176.000 0.099 0.000 0.964 94 Q CA -0.797 55.096 55.803 0.150 0.000 0.900 94 Q CB 1.805 30.608 28.738 0.108 0.000 1.228 94 Q HN 0.714 nan 8.270 nan 0.000 0.449 95 L N 6.235 127.518 121.223 0.099 0.000 2.264 95 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 95 L C -1.584 175.296 176.870 0.015 0.000 1.039 95 L CA -0.095 54.754 54.840 0.014 0.000 0.829 95 L CB 0.800 42.799 42.059 -0.099 0.000 1.211 95 L HN 0.638 nan 8.230 nan 0.000 0.427 96 L N 6.459 127.678 121.223 -0.008 0.000 2.276 96 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 96 L C -0.056 176.684 176.870 -0.216 0.000 1.024 96 L CA -0.862 53.905 54.840 -0.121 0.000 0.826 96 L CB 1.346 43.354 42.059 -0.086 0.000 1.211 96 L HN 0.335 nan 8.230 nan 0.000 0.422 97 V N 1.651 121.397 119.914 -0.280 0.000 3.441 97 V HA 0.499 4.619 4.120 -0.000 0.000 0.300 97 V C -0.248 175.536 176.094 -0.518 0.000 1.062 97 V CA -0.379 61.806 62.300 -0.192 0.000 1.064 97 V CB 1.170 32.946 31.823 -0.079 0.000 1.197 97 V HN 0.434 nan 8.190 nan 0.000 0.451 98 F N -1.501 118.539 119.950 0.151 0.000 2.741 98 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 98 F C 0.255 176.178 175.800 0.204 0.000 1.153 98 F CA -0.328 57.788 58.000 0.194 0.000 0.931 98 F CB 2.184 41.365 39.000 0.302 0.000 1.335 98 F HN 0.694 nan 8.300 nan 0.000 0.460 99 G N 1.959 110.892 108.800 0.223 0.000 2.965 99 G HA2 0.459 4.419 3.960 -0.000 0.000 0.301 99 G HA3 0.459 4.419 3.960 -0.000 0.000 0.301 99 G C -2.179 172.501 174.900 -0.366 0.000 1.878 99 G CA -0.473 44.550 45.100 -0.128 0.000 0.828 99 G HN 0.611 nan 8.290 nan 0.000 0.435 100 L N 1.944 122.624 121.223 -0.905 0.000 2.410 100 L HA 0.753 5.093 4.340 -0.000 0.000 0.273 100 L C 0.188 176.804 176.870 -0.424 0.000 1.144 100 L CA 0.598 55.058 54.840 -0.634 0.000 0.863 100 L CB 1.373 42.945 42.059 -0.812 0.000 1.140 100 L HN 0.331 nan 8.230 nan 0.000 0.463 101 T N 3.856 118.260 114.554 -0.250 0.000 2.923 101 T HA 0.747 5.097 4.350 -0.000 0.000 0.311 101 T C -1.289 173.322 174.700 -0.147 0.000 1.183 101 T CA -0.279 61.712 62.100 -0.182 0.000 1.020 101 T CB 1.407 70.191 68.868 -0.141 0.000 1.165 101 T HN 0.749 nan 8.240 nan 0.000 0.482 102 A N 2.792 125.531 122.820 -0.135 0.000 2.288 102 A HA 0.529 4.849 4.320 -0.000 0.000 0.320 102 A C 1.033 178.560 177.584 -0.094 0.000 1.217 102 A CA -0.673 51.289 52.037 -0.126 0.000 0.840 102 A CB 0.455 19.369 19.000 -0.142 0.000 1.179 102 A HN 0.887 nan 8.150 nan 0.000 0.504 103 N N 1.637 120.289 118.700 -0.080 0.000 2.336 103 N HA -0.121 4.619 4.740 -0.000 0.000 0.177 103 N C 1.214 176.693 175.510 -0.052 0.000 1.018 103 N CA 1.274 54.287 53.050 -0.060 0.000 0.878 103 N CB -0.191 38.266 38.487 -0.051 0.000 0.997 103 N HN 0.636 nan 8.380 nan 0.000 0.433 104 S N 0.792 116.459 115.700 -0.055 0.000 2.653 104 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 104 S C 0.212 174.788 174.600 -0.040 0.000 0.970 104 S CA -0.035 58.139 58.200 -0.044 0.000 0.947 104 S CB -0.667 62.505 63.200 -0.045 0.000 0.771 104 S HN 0.202 nan 8.310 nan 0.000 0.538 105 D N 2.291 122.662 120.400 -0.049 0.000 2.078 105 D HA -0.145 4.495 4.640 -0.000 0.000 0.211 105 D C 0.118 176.393 176.300 -0.040 0.000 1.155 105 D CA 1.598 55.568 54.000 -0.050 0.000 0.993 105 D CB -1.007 39.762 40.800 -0.052 0.000 2.201 105 D HN 0.219 nan 8.370 nan 0.000 0.597 106 T N 0.042 114.561 114.554 -0.059 0.000 2.076 106 T HA -0.171 4.179 4.350 -0.000 0.000 0.264 106 T C -0.458 174.242 174.700 0.000 0.000 1.051 106 T CA 1.420 63.464 62.100 -0.093 0.000 2.020 106 T CB -0.981 67.838 68.868 -0.081 0.000 1.024 106 T HN 0.611 nan 8.240 nan 0.000 0.392 107 H N -0.924 118.125 119.070 -0.035 0.000 3.101 107 H HA -0.098 4.458 4.556 -0.000 0.000 0.350 107 H C -0.533 174.768 175.328 -0.045 0.000 1.157 107 H CA -0.229 55.790 56.048 -0.048 0.000 1.141 107 H CB -1.445 28.281 29.762 -0.061 0.000 1.595 107 H HN 0.467 nan 8.280 nan 0.000 0.406 108 L N 3.057 124.302 121.223 0.036 0.000 2.257 108 L HA 0.379 4.719 4.340 -0.000 0.000 0.290 108 L C 0.246 177.134 176.870 0.030 0.000 1.044 108 L CA -0.385 54.472 54.840 0.028 0.000 0.810 108 L CB 0.704 42.771 42.059 0.014 0.000 1.193 108 L HN 0.214 nan 8.230 nan 0.000 0.425 109 L N 2.071 123.316 121.223 0.037 0.000 2.569 109 L HA 0.433 4.773 4.340 -0.000 0.000 0.247 109 L C 0.633 177.563 176.870 0.100 0.000 1.135 109 L CA -0.536 54.335 54.840 0.052 0.000 0.812 109 L CB 0.214 42.307 42.059 0.058 0.000 1.431 109 L HN 0.651 nan 8.230 nan 0.000 0.499 110 Q N -0.165 119.725 119.800 0.150 0.000 2.492 110 Q HA 0.332 4.672 4.340 -0.000 0.000 0.238 110 Q C 0.783 176.845 176.000 0.103 0.000 1.045 110 Q CA 0.201 56.082 55.803 0.131 0.000 0.934 110 Q CB 0.312 29.136 28.738 0.142 0.000 1.276 110 Q HN 0.795 nan 8.270 nan 0.000 0.521 111 G N 0.886 109.721 108.800 0.058 0.000 4.236 111 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G C -0.048 174.862 174.900 0.017 0.000 1.354 111 G CA 0.490 45.599 45.100 0.015 0.000 0.966 111 G HN 0.744 nan 8.290 nan 0.000 0.624 112 Q N 2.576 122.396 119.800 0.033 0.000 2.841 112 Q HA 0.309 4.649 4.340 -0.000 0.000 0.330 112 Q C 0.728 176.734 176.000 0.010 0.000 1.136 112 Q CA 0.270 56.087 55.803 0.024 0.000 1.129 112 Q CB -0.064 28.700 28.738 0.045 0.000 0.992 112 Q HN 0.602 nan 8.270 nan 0.000 0.411 113 S N 1.868 117.565 115.700 -0.004 0.000 2.542 113 S HA 0.020 4.490 4.470 -0.000 0.000 0.287 113 S C -0.109 174.471 174.600 -0.034 0.000 1.315 113 S CA -0.214 57.976 58.200 -0.017 0.000 1.037 113 S CB 0.346 63.532 63.200 -0.022 0.000 0.822 113 S HN 0.474 nan 8.310 nan 0.000 0.513 114 L N 2.299 123.486 121.223 -0.060 0.000 2.341 114 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 114 L C -0.003 176.792 176.870 -0.125 0.000 1.005 114 L CA -0.110 54.667 54.840 -0.106 0.000 0.818 114 L CB 1.917 43.878 42.059 -0.162 0.000 1.259 114 L HN 0.762 nan 8.230 nan 0.000 0.418 115 T N 3.673 118.154 114.554 -0.122 0.000 2.856 115 T HA 0.685 5.035 4.350 -0.000 0.000 0.283 115 T C -0.811 173.807 174.700 -0.137 0.000 1.008 115 T CA -0.621 61.411 62.100 -0.113 0.000 0.997 115 T CB 1.040 69.862 68.868 -0.077 0.000 0.992 115 T HN 0.603 nan 8.240 nan 0.000 0.454 116 L N 3.649 124.793 121.223 -0.131 0.000 2.427 116 L HA 0.413 4.753 4.340 -0.000 0.000 0.264 116 L C -0.008 176.803 176.870 -0.099 0.000 0.989 116 L CA -0.676 54.081 54.840 -0.138 0.000 0.865 116 L CB 1.852 43.807 42.059 -0.172 0.000 1.209 116 L HN 0.828 nan 8.230 nan 0.000 0.430 117 T N 2.773 117.273 114.554 -0.091 0.000 2.934 117 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 117 T C -0.550 174.108 174.700 -0.070 0.000 1.005 117 T CA -0.441 61.621 62.100 -0.064 0.000 1.041 117 T CB 2.414 71.251 68.868 -0.053 0.000 1.042 117 T HN 0.206 nan 8.240 nan 0.000 0.505 118 L N 1.182 122.384 121.223 -0.035 0.000 2.354 118 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 118 L C -0.520 176.365 176.870 0.027 0.000 1.005 118 L CA -0.516 54.316 54.840 -0.014 0.000 0.819 118 L CB 1.970 44.047 42.059 0.028 0.000 1.311 118 L HN 0.599 nan 8.230 nan 0.000 0.423 119 E N 1.769 121.994 120.200 0.041 0.000 2.204 119 E HA 0.704 5.054 4.350 -0.000 0.000 0.276 119 E C -1.300 175.362 176.600 0.103 0.000 0.974 119 E CA -0.481 55.944 56.400 0.042 0.000 0.815 119 E CB 1.698 31.401 29.700 0.006 0.000 1.119 119 E HN 0.615 nan 8.360 nan 0.000 0.393 120 S N 2.120 117.834 115.700 0.025 0.000 2.567 120 S HA 0.354 4.824 4.470 -0.000 0.000 0.270 120 S C -2.739 171.781 174.600 -0.132 0.000 1.152 120 S CA -1.190 56.951 58.200 -0.098 0.000 0.835 120 S CB 1.536 64.817 63.200 0.136 0.000 1.115 120 S HN 0.423 nan 8.310 nan 0.000 0.459 121 P HA 0.175 nan 4.420 nan 0.000 0.264 121 P C -2.194 175.071 177.300 -0.060 0.000 1.193 121 P CA -0.704 62.315 63.100 -0.135 0.000 0.763 121 P CB -0.264 31.340 31.700 -0.161 0.000 0.810 122 P HA -0.209 nan 4.420 nan 0.000 0.222 122 P C 0.876 178.177 177.300 0.002 0.000 1.147 122 P CA 2.001 65.094 63.100 -0.012 0.000 0.958 122 P CB -0.357 31.336 31.700 -0.013 0.000 0.788 123 G N -1.220 107.581 108.800 0.000 0.000 2.547 123 G HA2 0.518 4.478 3.960 -0.000 0.000 0.327 123 G HA3 0.518 4.478 3.960 -0.000 0.000 0.327 123 G C -0.790 174.124 174.900 0.023 0.000 1.118 123 G CA 0.047 45.156 45.100 0.014 0.000 1.022 123 G HN 0.112 nan 8.290 nan 0.000 0.464 124 S N -0.010 115.718 115.700 0.047 0.000 2.715 124 S HA 0.431 4.900 4.470 -0.000 0.000 0.290 124 S C -0.851 173.826 174.600 0.127 0.000 1.008 124 S CA -0.654 57.597 58.200 0.085 0.000 0.850 124 S CB 1.479 64.728 63.200 0.082 0.000 1.059 124 S HN 0.542 nan 8.310 nan 0.000 0.455 125 S N 2.795 118.583 115.700 0.147 0.000 2.500 125 S HA 0.848 5.318 4.470 -0.000 0.000 0.301 125 S C -2.573 172.120 174.600 0.155 0.000 1.092 125 S CA -1.094 57.190 58.200 0.140 0.000 1.030 125 S CB 1.714 64.963 63.200 0.081 0.000 1.031 125 S HN 0.514 nan 8.310 nan 0.000 0.483 126 P HA 0.685 nan 4.420 nan 0.000 0.309 126 P C -1.276 176.017 177.300 -0.012 0.000 1.302 126 P CA -0.777 62.328 63.100 0.008 0.000 0.835 126 P CB 1.707 33.412 31.700 0.007 0.000 1.324 127 S N -1.300 114.363 115.700 -0.060 0.000 2.548 127 S HA 0.456 4.926 4.470 -0.000 0.000 0.278 127 S C -1.315 173.259 174.600 -0.043 0.000 1.150 127 S CA -0.409 57.772 58.200 -0.031 0.000 0.907 127 S CB 0.908 64.094 63.200 -0.022 0.000 1.108 127 S HN 0.204 nan 8.310 nan 0.000 0.459 128 V N 3.777 123.681 119.914 -0.017 0.000 2.540 128 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 128 V C -0.253 175.852 176.094 0.019 0.000 1.035 128 V CA -0.639 61.659 62.300 -0.002 0.000 0.873 128 V CB 1.737 33.561 31.823 0.002 0.000 0.992 128 V HN 0.839 nan 8.190 nan 0.000 0.428 129 Q N 3.805 123.624 119.800 0.033 0.000 2.506 129 Q HA 0.306 4.646 4.340 -0.000 0.000 0.242 129 Q C -1.187 174.868 176.000 0.092 0.000 1.060 129 Q CA -0.464 55.370 55.803 0.052 0.000 0.826 129 Q CB 1.020 29.779 28.738 0.035 0.000 1.169 129 Q HN 0.829 nan 8.270 nan 0.000 0.521 130 C N 4.967 124.344 119.300 0.128 0.000 2.383 130 C HA 0.361 4.821 4.460 -0.000 0.000 0.350 130 C C 0.511 175.694 174.990 0.320 0.000 1.173 130 C CA -0.582 58.573 59.018 0.229 0.000 1.645 130 C CB -1.055 26.803 27.740 0.197 0.000 2.221 130 C HN 0.701 nan 8.230 nan 0.000 0.528 131 R N 2.435 123.072 120.500 0.229 0.000 2.389 131 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 131 R C 0.480 176.804 176.300 0.040 0.000 1.075 131 R CA 0.060 56.227 56.100 0.111 0.000 1.005 131 R CB 0.739 31.067 30.300 0.047 0.000 0.987 131 R HN 0.747 nan 8.270 nan 0.000 0.452 132 S N 4.021 119.541 115.700 -0.300 0.000 2.645 132 S HA 0.145 4.615 4.470 -0.000 0.000 0.266 132 S C -1.743 172.467 174.600 -0.649 0.000 1.258 132 S CA -1.292 56.286 58.200 -1.036 0.000 0.990 132 S CB 0.910 63.482 63.200 -1.047 0.000 0.967 132 S HN 0.425 nan 8.310 nan 0.000 0.556 133 P HA 0.082 nan 4.420 nan 0.000 0.223 133 P C 0.081 177.223 177.300 -0.262 0.000 1.151 133 P CA 0.841 63.720 63.100 -0.368 0.000 0.787 133 P CB 0.220 31.731 31.700 -0.315 0.000 0.788 134 R N -0.833 119.479 120.500 -0.312 0.000 2.539 134 R HA 0.471 4.811 4.340 -0.000 0.000 0.295 134 R C 0.398 176.583 176.300 -0.191 0.000 1.138 134 R CA -0.006 55.978 56.100 -0.194 0.000 0.936 134 R CB 1.125 31.341 30.300 -0.139 0.000 1.182 134 R HN 0.111 nan 8.270 nan 0.000 0.459 135 G N 2.950 111.666 108.800 -0.141 0.000 2.547 135 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.271 135 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.271 135 G C -0.633 174.200 174.900 -0.110 0.000 1.209 135 G CA 0.160 45.198 45.100 -0.103 0.000 0.959 135 G HN 0.697 nan 8.290 nan 0.000 0.563 136 K N 0.460 120.820 120.400 -0.066 0.000 5.128 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.371 136 K C 0.074 176.678 176.600 0.007 0.000 0.786 136 K CA 1.034 57.307 56.287 -0.023 0.000 0.982 136 K CB -1.256 31.238 32.500 -0.010 0.000 1.986 136 K HN 0.585 nan 8.250 nan 0.000 0.340 137 N N 4.491 123.205 118.700 0.023 0.000 3.178 137 N HA 0.032 4.772 4.740 -0.000 0.000 0.300 137 N C 0.237 175.793 175.510 0.076 0.000 1.242 137 N CA -0.043 53.034 53.050 0.046 0.000 1.192 137 N CB 0.112 38.616 38.487 0.027 0.000 1.463 137 N HN 0.457 nan 8.380 nan 0.000 0.539 138 I N 2.412 123.060 120.570 0.130 0.000 2.587 138 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 138 I C -0.115 176.065 176.117 0.106 0.000 1.134 138 I CA 0.047 61.427 61.300 0.133 0.000 1.410 138 I CB 0.273 38.397 38.000 0.206 0.000 1.392 138 I HN 0.355 nan 8.210 nan 0.000 0.545 139 Q N 6.207 126.045 119.800 0.064 0.000 2.484 139 Q HA 0.935 5.275 4.340 -0.000 0.000 0.285 139 Q C -0.564 175.452 176.000 0.027 0.000 1.097 139 Q CA -0.883 54.946 55.803 0.044 0.000 0.802 139 Q CB 2.064 30.822 28.738 0.034 0.000 1.444 139 Q HN 0.660 nan 8.270 nan 0.000 0.429 140 G N -0.815 107.994 108.800 0.015 0.000 2.664 140 G HA2 0.617 4.577 3.960 -0.000 0.000 0.303 140 G HA3 0.617 4.577 3.960 -0.000 0.000 0.303 140 G C -0.739 174.163 174.900 0.003 0.000 1.243 140 G CA -0.303 44.801 45.100 0.007 0.000 0.826 140 G HN 0.780 nan 8.290 nan 0.000 0.498 141 G N -0.623 108.178 108.800 0.001 0.000 3.182 141 G HA2 0.423 4.383 3.960 -0.000 0.000 0.167 141 G HA3 0.423 4.383 3.960 -0.000 0.000 0.167 141 G C 1.000 175.903 174.900 0.005 0.000 1.537 141 G CA 0.541 45.644 45.100 0.005 0.000 1.046 141 G HN 0.845 nan 8.290 nan 0.000 0.580 142 K N -0.982 119.425 120.400 0.012 0.000 2.525 142 K HA 0.250 4.570 4.320 -0.000 0.000 0.192 142 K C -0.060 176.540 176.600 -0.000 0.000 1.029 142 K CA 0.614 56.913 56.287 0.020 0.000 1.029 142 K CB 0.211 32.728 32.500 0.029 0.000 0.814 142 K HN 0.149 nan 8.250 nan 0.000 0.503 143 T N 1.049 115.597 114.554 -0.011 0.000 3.097 143 T HA 0.479 4.829 4.350 -0.000 0.000 0.332 143 T C -2.222 172.461 174.700 -0.029 0.000 1.269 143 T CA -0.961 61.123 62.100 -0.026 0.000 1.076 143 T CB 1.274 70.127 68.868 -0.025 0.000 1.209 143 T HN 0.329 nan 8.240 nan 0.000 0.474 144 L N 0.705 121.900 121.223 -0.046 0.000 2.543 144 L HA 0.953 5.293 4.340 -0.000 0.000 0.265 144 L C -0.860 175.964 176.870 -0.077 0.000 0.945 144 L CA -0.519 54.294 54.840 -0.045 0.000 0.869 144 L CB 2.149 44.190 42.059 -0.031 0.000 1.294 144 L HN 0.440 nan 8.230 nan 0.000 0.405 145 S N 1.833 117.492 115.700 -0.068 0.000 2.513 145 S HA 0.762 5.232 4.470 -0.000 0.000 0.299 145 S C -0.399 174.155 174.600 -0.077 0.000 1.087 145 S CA -0.764 57.381 58.200 -0.091 0.000 1.012 145 S CB 2.212 65.372 63.200 -0.067 0.000 1.044 145 S HN 0.538 nan 8.310 nan 0.000 0.485 146 V N 3.701 123.548 119.914 -0.112 0.000 2.432 146 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 146 V C 1.357 177.444 176.094 -0.011 0.000 1.046 146 V CA -0.179 62.093 62.300 -0.046 0.000 0.945 146 V CB 0.628 32.401 31.823 -0.083 0.000 0.992 146 V HN 1.140 nan 8.190 nan 0.000 0.471 147 S N 5.771 121.482 115.700 0.019 0.000 2.298 147 S HA -0.168 4.302 4.470 -0.000 0.000 0.261 147 S C 0.457 175.067 174.600 0.016 0.000 1.347 147 S CA 0.611 58.819 58.200 0.014 0.000 2.316 147 S CB -0.415 62.797 63.200 0.020 0.000 0.678 147 S HN 0.816 nan 8.310 nan 0.000 0.358 148 Q N 1.329 121.144 119.800 0.025 0.000 2.340 148 Q HA 0.653 4.993 4.340 -0.000 0.000 0.259 148 Q C -1.362 174.670 176.000 0.053 0.000 0.964 148 Q CA -0.354 55.464 55.803 0.025 0.000 0.900 148 Q CB 0.823 29.565 28.738 0.007 0.000 1.228 148 Q HN 0.414 nan 8.270 nan 0.000 0.449 149 L N 2.633 123.896 121.223 0.066 0.000 2.534 149 L HA 0.048 4.388 4.340 -0.000 0.000 0.271 149 L C 0.386 177.312 176.870 0.093 0.000 1.178 149 L CA 0.781 55.681 54.840 0.101 0.000 0.907 149 L CB 0.070 42.194 42.059 0.108 0.000 1.164 149 L HN 0.573 nan 8.230 nan 0.000 0.482 150 E N 2.917 123.174 120.200 0.094 0.000 2.166 150 E HA 0.109 4.459 4.350 -0.000 0.000 0.275 150 E C 0.581 177.230 176.600 0.082 0.000 0.941 150 E CA -0.788 55.658 56.400 0.077 0.000 0.784 150 E CB 1.695 31.430 29.700 0.058 0.000 1.115 150 E HN 0.449 nan 8.360 nan 0.000 0.399 151 L N 4.325 125.599 121.223 0.086 0.000 2.318 151 L HA -0.398 3.942 4.340 -0.000 0.000 0.240 151 L C 2.330 179.240 176.870 0.066 0.000 1.135 151 L CA 3.041 57.932 54.840 0.085 0.000 0.850 151 L CB -1.294 40.816 42.059 0.085 0.000 0.970 151 L HN 0.836 nan 8.230 nan 0.000 0.442 152 Q N -1.158 118.668 119.800 0.043 0.000 2.389 152 Q HA -0.195 4.145 4.340 -0.000 0.000 0.213 152 Q C 0.974 176.963 176.000 -0.019 0.000 0.989 152 Q CA 2.102 57.911 55.803 0.011 0.000 0.891 152 Q CB -0.634 28.102 28.738 -0.003 0.000 0.923 152 Q HN 0.585 nan 8.270 nan 0.000 0.455 153 D N 0.449 120.859 120.400 0.016 0.000 2.413 153 D HA 0.107 4.747 4.640 -0.000 0.000 0.237 153 D C -0.617 175.747 176.300 0.108 0.000 1.171 153 D CA 0.147 54.154 54.000 0.013 0.000 0.839 153 D CB 0.218 41.113 40.800 0.158 0.000 0.950 153 D HN 0.162 nan 8.370 nan 0.000 0.499 154 S N -0.717 115.022 115.700 0.065 0.000 2.541 154 S HA 0.630 5.100 4.470 -0.000 0.000 0.283 154 S C 0.656 175.292 174.600 0.060 0.000 1.196 154 S CA 0.050 58.309 58.200 0.098 0.000 1.062 154 S CB 1.482 64.727 63.200 0.075 0.000 1.009 154 S HN 0.464 nan 8.310 nan 0.000 0.502 155 G N 2.317 111.180 108.800 0.105 0.000 2.113 155 G HA2 0.042 4.002 3.960 -0.000 0.000 0.082 155 G HA3 0.042 4.002 3.960 -0.000 0.000 0.082 155 G C -0.648 174.327 174.900 0.126 0.000 1.155 155 G CA -0.173 44.970 45.100 0.071 0.000 1.241 155 G HN 0.780 nan 8.290 nan 0.000 0.453 156 T N 0.882 115.489 114.554 0.088 0.000 2.881 156 T HA 0.574 4.924 4.350 -0.000 0.000 0.291 156 T C -0.897 173.891 174.700 0.147 0.000 0.990 156 T CA -0.222 61.966 62.100 0.147 0.000 0.976 156 T CB 0.692 69.610 68.868 0.083 0.000 0.970 156 T HN 0.435 nan 8.240 nan 0.000 0.438 157 W N 1.966 123.278 121.300 0.019 0.000 1.998 157 W HA 0.540 5.200 4.660 -0.000 0.000 0.441 157 W C 0.503 177.040 176.519 0.030 0.000 1.859 157 W CA -0.385 56.974 57.345 0.022 0.000 2.071 157 W CB 0.485 29.958 29.460 0.021 0.000 1.474 157 W HN 0.426 nan 8.180 nan 0.000 0.734 158 T N -0.079 114.659 114.554 0.307 0.000 3.523 158 T HA 0.234 4.584 4.350 -0.000 0.000 0.265 158 T C -0.912 173.898 174.700 0.184 0.000 0.986 158 T CA -0.887 61.326 62.100 0.189 0.000 1.616 158 T CB -1.076 67.853 68.868 0.101 0.000 0.803 158 T HN 0.292 nan 8.240 nan 0.000 0.603 159 C N 2.111 121.540 119.300 0.214 0.000 2.652 159 C HA 0.657 5.117 4.460 -0.000 0.000 0.412 159 C C 1.036 176.119 174.990 0.155 0.000 1.294 159 C CA -0.312 58.812 59.018 0.178 0.000 2.127 159 C CB -0.136 27.697 27.740 0.155 0.000 2.691 159 C HN 0.740 nan 8.230 nan 0.000 0.615 160 T N 1.808 116.419 114.554 0.095 0.000 2.809 160 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 160 T C -0.379 174.320 174.700 -0.001 0.000 0.992 160 T CA -0.302 61.816 62.100 0.030 0.000 0.957 160 T CB 1.241 70.106 68.868 -0.005 0.000 0.942 160 T HN 0.427 nan 8.240 nan 0.000 0.439 161 V N 5.217 125.102 119.914 -0.048 0.000 2.338 161 V HA 0.262 4.382 4.120 -0.000 0.000 0.255 161 V C 0.288 176.201 176.094 -0.301 0.000 1.082 161 V CA -0.529 61.651 62.300 -0.199 0.000 0.951 161 V CB 0.267 31.898 31.823 -0.321 0.000 1.102 161 V HN 0.711 nan 8.190 nan 0.000 0.489 162 L N 5.821 126.927 121.223 -0.195 0.000 2.290 162 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 162 L C -0.200 176.579 176.870 -0.151 0.000 1.078 162 L CA -0.138 54.616 54.840 -0.143 0.000 0.815 162 L CB 1.329 43.346 42.059 -0.070 0.000 1.162 162 L HN 0.867 nan 8.230 nan 0.000 0.435 163 Q N 6.194 125.933 119.800 -0.101 0.000 2.313 163 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 163 Q C -0.609 175.416 176.000 0.042 0.000 0.972 163 Q CA -0.482 55.321 55.803 0.001 0.000 0.886 163 Q CB 1.169 29.964 28.738 0.096 0.000 1.373 163 Q HN 0.846 nan 8.270 nan 0.000 0.416 164 N N 1.532 120.261 118.700 0.048 0.000 6.506 164 N HA -0.262 4.478 4.740 -0.000 0.000 0.396 164 N C -0.314 175.211 175.510 0.026 0.000 0.931 164 N CA 1.187 54.265 53.050 0.046 0.000 1.204 164 N CB -0.379 38.147 38.487 0.066 0.000 0.829 164 N HN 0.972 nan 8.380 nan 0.000 0.351 165 Q N 0.643 120.458 119.800 0.026 0.000 2.373 165 Q HA 0.118 4.458 4.340 -0.000 0.000 0.206 165 Q C -0.427 175.579 176.000 0.011 0.000 0.942 165 Q CA 0.753 56.565 55.803 0.015 0.000 0.953 165 Q CB 0.238 28.986 28.738 0.017 0.000 1.022 165 Q HN 0.202 nan 8.270 nan 0.000 0.502 166 K N 1.358 121.767 120.400 0.015 0.000 2.238 166 K HA 0.486 4.806 4.320 -0.000 0.000 0.239 166 K C -1.184 175.406 176.600 -0.016 0.000 0.987 166 K CA -0.562 55.730 56.287 0.009 0.000 0.857 166 K CB 1.703 34.223 32.500 0.034 0.000 1.154 166 K HN 0.234 nan 8.250 nan 0.000 0.439 167 K N -1.622 118.755 120.400 -0.039 0.000 2.578 167 K HA 0.616 4.936 4.320 -0.000 0.000 0.269 167 K C -1.672 174.861 176.600 -0.111 0.000 0.941 167 K CA -1.060 55.175 56.287 -0.086 0.000 0.847 167 K CB 1.914 34.370 32.500 -0.073 0.000 1.397 167 K HN 0.212 nan 8.250 nan 0.000 0.422 168 V N 1.581 121.385 119.914 -0.183 0.000 2.444 168 V HA 0.299 4.419 4.120 -0.000 0.000 0.294 168 V C -0.732 175.149 176.094 -0.354 0.000 1.022 168 V CA -0.382 61.761 62.300 -0.262 0.000 0.850 168 V CB 1.527 33.191 31.823 -0.265 0.000 0.992 168 V HN 0.896 nan 8.190 nan 0.000 0.426 169 E N 4.138 124.148 120.200 -0.317 0.000 2.374 169 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 169 E C -1.612 174.734 176.600 -0.422 0.000 1.101 169 E CA -0.209 56.053 56.400 -0.229 0.000 0.907 169 E CB 1.051 30.676 29.700 -0.125 0.000 1.014 169 E HN 0.586 nan 8.360 nan 0.000 0.427 170 F N 1.253 121.210 119.950 0.012 0.000 2.574 170 F HA 0.309 4.836 4.527 -0.000 0.000 0.313 170 F C -0.185 175.638 175.800 0.038 0.000 1.130 170 F CA -0.721 57.291 58.000 0.021 0.000 0.936 170 F CB 1.764 40.771 39.000 0.011 0.000 1.219 170 F HN 0.138 nan 8.300 nan 0.000 0.445 171 K N 4.097 124.653 120.400 0.260 0.000 2.357 171 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 171 K C -1.135 175.556 176.600 0.151 0.000 1.069 171 K CA -0.577 55.814 56.287 0.174 0.000 0.994 171 K CB 1.031 33.601 32.500 0.116 0.000 1.411 171 K HN 0.454 nan 8.250 nan 0.000 0.450 172 I N 2.211 122.867 120.570 0.143 0.000 2.437 172 I HA 0.146 4.316 4.170 -0.000 0.000 0.298 172 I C -0.812 175.374 176.117 0.115 0.000 0.984 172 I CA -0.502 60.842 61.300 0.073 0.000 1.214 172 I CB 1.465 39.453 38.000 -0.020 0.000 1.365 172 I HN 0.417 nan 8.210 nan 0.000 0.469 173 D N 7.450 127.894 120.400 0.074 0.000 2.233 173 D HA 0.553 5.193 4.640 -0.000 0.000 0.240 173 D C -0.823 175.529 176.300 0.086 0.000 1.074 173 D CA 0.297 54.360 54.000 0.104 0.000 0.838 173 D CB 1.162 41.999 40.800 0.062 0.000 1.124 173 D HN 0.238 nan 8.370 nan 0.000 0.475 174 I N 2.294 122.973 120.570 0.182 0.000 2.503 174 I HA 0.217 4.387 4.170 -0.000 0.000 0.282 174 I C -1.031 175.192 176.117 0.177 0.000 1.059 174 I CA -0.795 60.595 61.300 0.149 0.000 1.081 174 I CB 1.929 40.013 38.000 0.139 0.000 1.210 174 I HN 0.051 nan 8.210 nan 0.000 0.450 175 V N 7.598 127.568 119.914 0.094 0.000 2.384 175 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 175 V C -0.224 175.909 176.094 0.066 0.000 1.020 175 V CA -0.538 61.810 62.300 0.080 0.000 0.850 175 V CB 2.197 34.050 31.823 0.050 0.000 0.987 175 V HN 0.365 nan 8.190 nan 0.000 0.436 176 V N 7.868 127.831 119.914 0.082 0.000 2.364 176 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 176 V C 0.254 176.381 176.094 0.053 0.000 1.036 176 V CA -0.343 62.003 62.300 0.075 0.000 0.880 176 V CB 1.337 33.222 31.823 0.102 0.000 0.991 176 V HN 0.704 nan 8.190 nan 0.000 0.460 177 L N 4.705 125.932 121.223 0.007 0.000 2.417 177 L HA 0.647 4.987 4.340 -0.000 0.000 0.268 177 L C 0.749 177.623 176.870 0.006 0.000 1.158 177 L CA 0.496 55.283 54.840 -0.088 0.000 0.819 177 L CB 1.367 43.279 42.059 -0.246 0.000 1.112 177 L HN 0.840 nan 8.230 nan 0.000 0.458 178 A N 2.901 125.792 122.820 0.118 0.000 2.396 178 A HA 0.266 4.586 4.320 -0.000 0.000 0.219 178 A C -0.133 178.018 177.584 0.943 0.000 2.865 178 A CA -0.363 52.163 52.037 0.816 0.000 1.566 178 A CB -0.724 18.505 19.000 0.381 0.000 0.258 178 A HN 0.662 nan 8.150 nan 0.000 0.553 179 F N -1.999 117.987 119.950 0.061 0.000 2.183 179 F HA -0.080 4.447 4.527 -0.000 0.000 0.318 179 F C 0.395 176.239 175.800 0.073 0.000 0.966 179 F CA 0.729 58.772 58.000 0.071 0.000 0.912 179 F CB -0.375 38.666 39.000 0.070 0.000 4.135 179 F HN 0.238 nan 8.300 nan 0.000 0.137 180 Q N 1.386 121.376 119.800 0.318 0.000 2.237 180 Q HA 0.455 4.795 4.340 -0.000 0.000 0.252 180 Q C -0.926 175.182 176.000 0.179 0.000 0.877 180 Q CA 0.220 56.142 55.803 0.198 0.000 1.011 180 Q CB 0.395 29.233 28.738 0.168 0.000 1.118 180 Q HN 0.441 nan 8.270 nan 0.000 0.458 181 K N -1.997 118.513 120.400 0.184 0.000 2.653 181 K HA 0.621 4.941 4.320 -0.000 0.000 0.274 181 K C -1.128 175.522 176.600 0.084 0.000 0.974 181 K CA 0.361 56.722 56.287 0.122 0.000 0.868 181 K CB 0.274 32.849 32.500 0.125 0.000 1.408 181 K HN -0.080 nan 8.250 nan 0.000 0.397 182 A N 0.962 123.813 122.820 0.052 0.000 1.997 182 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 182 A C -0.017 177.558 177.584 -0.016 0.000 1.458 182 A CA 0.888 52.937 52.037 0.020 0.000 0.692 182 A CB -0.119 18.895 19.000 0.023 0.000 1.145 182 A HN 0.450 nan 8.150 nan 0.000 0.515 183 S N 0.760 116.457 115.700 -0.005 0.000 2.594 183 S HA 0.551 5.021 4.470 -0.000 0.000 0.322 183 S C -0.649 173.954 174.600 0.005 0.000 1.085 183 S CA -0.552 57.635 58.200 -0.022 0.000 1.116 183 S CB 0.474 63.661 63.200 -0.022 0.000 0.979 183 S HN 0.379 nan 8.310 nan 0.000 0.465 184 S N 4.495 120.207 115.700 0.020 0.000 2.586 184 S HA 0.626 5.096 4.470 -0.000 0.000 0.274 184 S C -0.362 174.259 174.600 0.035 0.000 1.281 184 S CA -0.552 57.689 58.200 0.068 0.000 1.035 184 S CB 0.757 64.061 63.200 0.173 0.000 0.962 184 S HN 0.748 nan 8.310 nan 0.000 0.512 185 I N 2.113 122.678 120.570 -0.008 0.000 2.656 185 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 185 I C -1.487 174.495 176.117 -0.226 0.000 1.144 185 I CA -0.629 60.595 61.300 -0.127 0.000 1.038 185 I CB 1.965 39.828 38.000 -0.228 0.000 1.244 185 I HN 0.330 nan 8.210 nan 0.000 0.420 186 V N 6.509 126.294 119.914 -0.215 0.000 2.588 186 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 186 V C -1.343 174.613 176.094 -0.231 0.000 1.042 186 V CA -0.707 61.472 62.300 -0.203 0.000 0.877 186 V CB 1.688 33.431 31.823 -0.134 0.000 0.996 186 V HN 0.405 nan 8.190 nan 0.000 0.425 187 Y N 4.337 124.674 120.300 0.061 0.000 2.369 187 Y HA 0.703 5.253 4.550 -0.000 0.000 0.337 187 Y C 0.409 176.337 175.900 0.046 0.000 0.961 187 Y CA -0.658 57.483 58.100 0.069 0.000 1.186 187 Y CB 1.168 39.663 38.460 0.057 0.000 1.139 187 Y HN 0.475 nan 8.280 nan 0.000 0.494 188 K N 1.640 122.155 120.400 0.191 0.000 2.283 188 K HA 0.916 5.236 4.320 -0.000 0.000 0.257 188 K C -0.715 175.962 176.600 0.129 0.000 1.066 188 K CA -1.134 55.222 56.287 0.115 0.000 0.891 188 K CB 1.306 33.833 32.500 0.044 0.000 1.438 188 K HN 0.375 nan 8.250 nan 0.000 0.464 189 K N 0.482 120.938 120.400 0.092 0.000 2.469 189 K HA 0.265 4.585 4.320 -0.000 0.000 0.254 189 K C -0.493 176.156 176.600 0.081 0.000 0.939 189 K CA -0.709 55.641 56.287 0.104 0.000 0.812 189 K CB 1.238 33.791 32.500 0.088 0.000 1.301 189 K HN 0.684 nan 8.250 nan 0.000 0.433 190 E N 0.636 120.899 120.200 0.106 0.000 3.359 190 E HA -0.037 4.313 4.350 -0.000 0.000 0.219 190 E C 1.011 177.634 176.600 0.038 0.000 1.052 190 E CA 1.956 58.403 56.400 0.078 0.000 0.906 190 E CB -1.158 28.603 29.700 0.102 0.000 0.939 190 E HN 1.135 nan 8.360 nan 0.000 0.543 191 G N 3.802 112.606 108.800 0.007 0.000 3.330 191 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.197 191 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.197 191 G C -0.353 174.528 174.900 -0.030 0.000 1.284 191 G CA -0.222 44.870 45.100 -0.014 0.000 0.921 191 G HN 0.514 nan 8.290 nan 0.000 0.466 192 E N 2.604 122.795 120.200 -0.016 0.000 2.820 192 E HA 0.262 4.612 4.350 -0.000 0.000 0.251 192 E C 0.422 176.985 176.600 -0.062 0.000 0.944 192 E CA 0.536 56.919 56.400 -0.029 0.000 0.955 192 E CB 0.220 29.913 29.700 -0.011 0.000 0.904 192 E HN 0.677 nan 8.360 nan 0.000 0.513 193 Q N 1.188 120.944 119.800 -0.073 0.000 2.262 193 Q HA 0.207 4.547 4.340 -0.000 0.000 0.272 193 Q C -0.529 175.394 176.000 -0.128 0.000 1.076 193 Q CA -0.352 55.391 55.803 -0.100 0.000 0.905 193 Q CB 0.479 29.163 28.738 -0.090 0.000 1.182 193 Q HN 0.172 nan 8.270 nan 0.000 0.390 194 V N 2.392 122.205 119.914 -0.168 0.000 2.775 194 V HA 0.247 4.367 4.120 -0.000 0.000 0.299 194 V C 0.438 176.332 176.094 -0.334 0.000 1.062 194 V CA -0.347 61.785 62.300 -0.280 0.000 1.063 194 V CB 1.127 32.745 31.823 -0.342 0.000 0.994 194 V HN 0.862 nan 8.190 nan 0.000 0.483 195 E N 1.433 121.355 120.200 -0.463 0.000 2.392 195 E HA 0.665 5.015 4.350 -0.000 0.000 0.269 195 E C -1.921 174.336 176.600 -0.572 0.000 0.924 195 E CA -0.482 55.714 56.400 -0.339 0.000 0.784 195 E CB 2.565 32.151 29.700 -0.190 0.000 1.292 195 E HN 0.462 nan 8.360 nan 0.000 0.447 196 F N -0.300 119.614 119.950 -0.060 0.000 2.643 196 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 196 F C -0.123 175.435 175.800 -0.404 0.000 1.096 196 F CA -0.626 57.274 58.000 -0.168 0.000 0.953 196 F CB 2.345 41.289 39.000 -0.094 0.000 1.345 196 F HN 0.186 nan 8.300 nan 0.000 0.468 197 S N 1.108 116.545 115.700 -0.438 0.000 2.584 197 S HA 0.709 5.179 4.470 -0.000 0.000 0.280 197 S C -2.011 172.266 174.600 -0.539 0.000 1.162 197 S CA -0.530 57.334 58.200 -0.559 0.000 0.951 197 S CB 0.421 63.560 63.200 -0.101 0.000 1.108 197 S HN 0.427 nan 8.310 nan 0.000 0.464 198 F N 4.141 124.128 119.950 0.061 0.000 2.577 198 F HA 0.529 5.056 4.527 -0.000 0.000 0.344 198 F C -2.322 173.605 175.800 0.212 0.000 1.145 198 F CA -1.784 56.262 58.000 0.076 0.000 0.996 198 F CB 1.158 40.076 39.000 -0.137 0.000 1.248 198 F HN 0.225 nan 8.300 nan 0.000 0.447 199 P HA 0.491 nan 4.420 nan 0.000 0.280 199 P C -0.498 176.929 177.300 0.212 0.000 1.272 199 P CA -0.350 62.867 63.100 0.196 0.000 0.819 199 P CB 2.657 34.425 31.700 0.114 0.000 1.122 200 L N -0.003 121.237 121.223 0.029 0.000 2.741 200 L HA 0.668 5.008 4.340 -0.000 0.000 0.217 200 L C 0.429 177.293 176.870 -0.011 0.000 1.579 200 L CA -0.352 54.447 54.840 -0.070 0.000 2.792 200 L CB -0.115 41.837 42.059 -0.180 0.000 2.589 200 L HN 0.439 nan 8.230 nan 0.000 0.856 201 A N -0.350 122.465 122.820 -0.009 0.000 3.189 201 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 201 A C -0.902 176.804 177.584 0.203 0.000 1.205 201 A CA -0.616 51.489 52.037 0.114 0.000 1.238 201 A CB -0.674 18.380 19.000 0.090 0.000 1.268 201 A HN 0.320 nan 8.150 nan 0.000 0.785 202 F N 0.568 120.526 119.950 0.013 0.000 1.934 202 F HA -0.208 4.319 4.527 -0.000 0.000 0.146 202 F C 1.114 176.925 175.800 0.019 0.000 0.987 202 F CA 2.186 60.195 58.000 0.015 0.000 0.618 202 F CB -0.609 38.401 39.000 0.016 0.000 0.785 202 F HN 0.536 nan 8.300 nan 0.000 0.747 203 T N 1.461 116.115 114.554 0.167 0.000 2.864 203 T HA 0.912 5.262 4.350 -0.000 0.000 0.289 203 T C -0.022 174.754 174.700 0.126 0.000 1.082 203 T CA -0.955 61.233 62.100 0.146 0.000 1.009 203 T CB 2.113 71.089 68.868 0.180 0.000 1.234 203 T HN 0.283 nan 8.240 nan 0.000 0.526 204 V N -0.256 119.723 119.914 0.108 0.000 3.417 204 V HA 1.004 5.124 4.120 -0.000 0.000 0.297 204 V C -0.448 175.698 176.094 0.086 0.000 1.271 204 V CA -0.723 61.624 62.300 0.079 0.000 1.012 204 V CB 1.305 33.164 31.823 0.059 0.000 1.241 204 V HN 1.232 nan 8.190 nan 0.000 0.477 205 E N -0.688 119.546 120.200 0.057 0.000 6.022 205 E HA 0.012 4.362 4.350 -0.000 0.000 0.552 205 E C -0.980 175.629 176.600 0.016 0.000 1.276 205 E CA -0.163 56.269 56.400 0.053 0.000 3.043 205 E CB -0.330 29.433 29.700 0.105 0.000 0.783 205 E HN 0.551 nan 8.360 nan 0.000 0.263 206 K N 0.914 121.319 120.400 0.008 0.000 2.991 206 K HA 0.343 4.663 4.320 -0.000 0.000 0.338 206 K C 0.065 176.648 176.600 -0.027 0.000 1.038 206 K CA 0.302 56.585 56.287 -0.007 0.000 1.099 206 K CB -0.214 32.282 32.500 -0.006 0.000 1.090 206 K HN 0.472 nan 8.250 nan 0.000 0.449 207 L N 2.278 123.484 121.223 -0.030 0.000 2.838 207 L HA -0.040 4.300 4.340 -0.000 0.000 0.287 207 L C 0.622 177.453 176.870 -0.064 0.000 1.124 207 L CA 0.164 54.978 54.840 -0.042 0.000 1.091 207 L CB -0.984 41.055 42.059 -0.033 0.000 1.448 207 L HN 0.656 nan 8.230 nan 0.000 0.455 208 T N -1.752 112.748 114.554 -0.089 0.000 3.058 208 T HA 0.462 4.812 4.350 -0.000 0.000 0.278 208 T C 0.567 175.158 174.700 -0.182 0.000 0.974 208 T CA 0.092 62.110 62.100 -0.137 0.000 0.893 208 T CB 0.887 69.650 68.868 -0.175 0.000 1.138 208 T HN 0.661 nan 8.240 nan 0.000 0.529 209 G N 0.808 109.505 108.800 -0.172 0.000 2.733 209 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 209 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 209 G C -1.268 173.480 174.900 -0.254 0.000 1.452 209 G CA -0.292 44.678 45.100 -0.218 0.000 0.940 209 G HN 0.939 nan 8.290 nan 0.000 0.547 210 S N -0.473 115.064 115.700 -0.272 0.000 2.675 210 S HA 0.857 5.327 4.470 -0.000 0.000 0.297 210 S C -0.109 174.383 174.600 -0.181 0.000 1.035 210 S CA 0.119 58.134 58.200 -0.309 0.000 0.852 210 S CB 1.270 64.358 63.200 -0.186 0.000 1.051 210 S HN 2.389 nan 8.310 nan 0.000 0.451 211 G N 1.098 109.835 108.800 -0.105 0.000 2.694 211 G HA2 0.839 4.799 3.960 -0.000 0.000 0.246 211 G HA3 0.839 4.799 3.960 -0.000 0.000 0.246 211 G C -1.530 173.587 174.900 0.361 0.000 1.205 211 G CA -0.054 45.117 45.100 0.119 0.000 0.891 211 G HN 1.448 nan 8.290 nan 0.000 0.515 212 E N -1.867 118.545 120.200 0.354 0.000 2.422 212 E HA 0.530 4.880 4.350 -0.000 0.000 0.280 212 E C -2.104 174.610 176.600 0.191 0.000 1.091 212 E CA -0.940 55.588 56.400 0.214 0.000 0.849 212 E CB 1.693 31.385 29.700 -0.014 0.000 1.353 212 E HN 0.803 nan 8.360 nan 0.000 0.449 213 L N 1.088 122.352 121.223 0.067 0.000 2.317 213 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 213 L C -1.714 175.339 176.870 0.306 0.000 1.024 213 L CA -0.143 54.780 54.840 0.139 0.000 0.810 213 L CB 0.752 42.791 42.059 -0.033 0.000 1.240 213 L HN 0.591 nan 8.230 nan 0.000 0.427 214 W N 4.863 126.220 121.300 0.095 0.000 2.606 214 W HA 0.508 5.168 4.660 -0.000 0.000 0.332 214 W C -0.887 175.784 176.519 0.253 0.000 1.052 214 W CA -0.651 56.910 57.345 0.361 0.000 1.223 214 W CB 1.130 30.739 29.460 0.247 0.000 1.383 214 W HN 0.431 nan 8.180 nan 0.000 0.524 215 W N 3.567 125.058 121.300 0.319 0.000 2.883 215 W HA 0.394 5.054 4.660 -0.000 0.000 0.335 215 W C -1.066 175.507 176.519 0.090 0.000 1.083 215 W CA -1.285 56.143 57.345 0.138 0.000 1.233 215 W CB 1.992 31.483 29.460 0.052 0.000 1.412 215 W HN 0.472 nan 8.180 nan 0.000 0.490 216 Q N 4.151 124.159 119.800 0.347 0.000 2.506 216 Q HA 0.601 4.941 4.340 -0.000 0.000 0.242 216 Q C 0.178 176.466 176.000 0.481 0.000 1.060 216 Q CA -0.590 55.396 55.803 0.305 0.000 0.826 216 Q CB 1.245 30.063 28.738 0.134 0.000 1.169 216 Q HN 0.361 nan 8.270 nan 0.000 0.521 217 A N 2.343 125.426 122.820 0.438 0.000 2.462 217 A HA 0.063 4.383 4.320 -0.000 0.000 0.243 217 A C 0.125 177.808 177.584 0.165 0.000 1.076 217 A CA -0.317 51.867 52.037 0.245 0.000 0.773 217 A CB 0.303 19.260 19.000 -0.071 0.000 1.010 217 A HN 0.787 nan 8.150 nan 0.000 0.493 218 E N 1.032 121.331 120.200 0.166 0.000 2.417 218 E HA 0.200 4.550 4.350 -0.000 0.000 0.261 218 E C 0.652 177.300 176.600 0.080 0.000 1.000 218 E CA 0.223 56.712 56.400 0.148 0.000 0.919 218 E CB 0.077 29.903 29.700 0.210 0.000 0.955 218 E HN 0.719 nan 8.360 nan 0.000 0.455 219 R N 1.991 122.541 120.500 0.084 0.000 1.706 219 R HA -0.289 4.051 4.340 -0.000 0.000 0.091 219 R C 0.385 176.693 176.300 0.013 0.000 0.932 219 R CA 1.757 57.890 56.100 0.054 0.000 1.944 219 R CB -1.868 28.469 30.300 0.062 0.000 0.506 219 R HN 0.588 nan 8.270 nan 0.000 0.707 220 A N 1.047 123.853 122.820 -0.024 0.000 2.898 220 A HA 0.216 4.536 4.320 -0.000 0.000 0.288 220 A C 1.144 178.707 177.584 -0.034 0.000 1.771 220 A CA 1.002 53.004 52.037 -0.059 0.000 1.383 220 A CB -0.000 18.924 19.000 -0.126 0.000 1.028 220 A HN 0.372 nan 8.150 nan 0.000 0.595 221 S N 1.482 117.172 115.700 -0.016 0.000 2.528 221 S HA -0.076 4.394 4.470 -0.000 0.000 0.244 221 S C 1.250 175.830 174.600 -0.032 0.000 0.982 221 S CA 0.920 59.119 58.200 -0.003 0.000 0.953 221 S CB -0.449 62.753 63.200 0.003 0.000 0.754 221 S HN 0.763 nan 8.310 nan 0.000 0.529 222 S N 2.233 117.893 115.700 -0.066 0.000 3.772 222 S HA 0.106 4.576 4.470 -0.000 0.000 0.191 222 S C 0.523 175.033 174.600 -0.149 0.000 1.060 222 S CA -0.259 57.876 58.200 -0.109 0.000 1.051 222 S CB -0.275 62.848 63.200 -0.129 0.000 1.578 222 S HN 0.304 nan 8.310 nan 0.000 0.481 223 S N 1.403 117.022 115.700 -0.133 0.000 2.598 223 S HA 0.413 4.883 4.470 -0.000 0.000 0.267 223 S C 0.998 175.328 174.600 -0.449 0.000 1.189 223 S CA -0.770 57.314 58.200 -0.193 0.000 1.010 223 S CB 0.262 63.436 63.200 -0.043 0.000 1.084 223 S HN 0.659 nan 8.310 nan 0.000 0.541 224 K N -0.796 119.094 120.400 -0.850 0.000 3.512 224 K HA -0.119 4.201 4.320 -0.000 0.000 0.309 224 K C -0.553 174.682 176.600 -2.275 0.000 1.350 224 K CA 0.674 55.908 56.287 -1.756 0.000 0.960 224 K CB -1.940 30.159 32.500 -0.667 0.000 1.290 224 K HN 0.504 nan 8.250 nan 0.000 0.454 225 S N 0.549 115.431 115.700 -1.364 0.000 2.523 225 S HA 0.579 5.049 4.470 -0.000 0.000 0.275 225 S C -0.195 173.985 174.600 -0.699 0.000 1.281 225 S CA -0.070 57.632 58.200 -0.832 0.000 1.050 225 S CB 0.297 63.273 63.200 -0.372 0.000 0.937 225 S HN 0.390 nan 8.310 nan 0.000 0.492 226 W N 0.433 121.655 121.300 -0.130 0.000 2.743 226 W HA 0.699 5.359 4.660 -0.000 0.000 0.434 226 W C -1.767 174.689 176.519 -0.105 0.000 1.048 226 W CA -1.195 56.063 57.345 -0.145 0.000 1.170 226 W CB 0.458 29.717 29.460 -0.336 0.000 1.466 226 W HN 0.637 nan 8.180 nan 0.000 0.596 227 I N 1.476 122.177 120.570 0.218 0.000 2.644 227 I HA 0.671 4.841 4.170 -0.000 0.000 0.291 227 I C -1.166 174.975 176.117 0.039 0.000 1.180 227 I CA -0.541 60.816 61.300 0.094 0.000 1.040 227 I CB 2.173 40.195 38.000 0.036 0.000 1.255 227 I HN 0.531 nan 8.210 nan 0.000 0.422 228 T N 6.286 120.883 114.554 0.072 0.000 2.855 228 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 228 T C -0.775 174.085 174.700 0.268 0.000 1.007 228 T CA -0.475 61.703 62.100 0.129 0.000 1.009 228 T CB 1.390 70.296 68.868 0.063 0.000 0.983 228 T HN 0.416 nan 8.240 nan 0.000 0.455 229 F N -0.417 119.541 119.950 0.013 0.000 2.591 229 F HA 0.827 5.354 4.527 -0.000 0.000 0.309 229 F C -1.387 174.418 175.800 0.009 0.000 1.098 229 F CA -2.269 55.744 58.000 0.021 0.000 0.937 229 F CB 0.944 39.971 39.000 0.044 0.000 1.250 229 F HN 0.441 nan 8.300 nan 0.000 0.447 230 D N 2.440 122.820 120.400 -0.034 0.000 2.256 230 D HA 0.727 5.367 4.640 -0.000 0.000 0.246 230 D C -1.409 174.786 176.300 -0.174 0.000 1.042 230 D CA -0.098 53.815 54.000 -0.145 0.000 0.841 230 D CB 1.753 42.521 40.800 -0.053 0.000 1.223 230 D HN 0.584 nan 8.370 nan 0.000 0.470 231 L N 2.553 123.638 121.223 -0.230 0.000 2.354 231 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 231 L C -0.904 175.891 176.870 -0.125 0.000 1.008 231 L CA -0.607 54.125 54.840 -0.180 0.000 0.819 231 L CB 2.009 43.914 42.059 -0.257 0.000 1.339 231 L HN 0.310 nan 8.230 nan 0.000 0.420 232 K N 1.953 122.304 120.400 -0.081 0.000 2.589 232 K HA 0.445 4.765 4.320 -0.000 0.000 0.253 232 K C -0.487 176.091 176.600 -0.037 0.000 0.974 232 K CA -0.866 55.386 56.287 -0.058 0.000 0.835 232 K CB 1.757 34.233 32.500 -0.039 0.000 1.272 232 K HN 0.777 nan 8.250 nan 0.000 0.444 233 N N 1.171 119.853 118.700 -0.030 0.000 1.352 233 N HA -0.354 4.386 4.740 -0.000 0.000 0.096 233 N C -0.987 174.519 175.510 -0.007 0.000 0.792 233 N CA 1.049 54.096 53.050 -0.004 0.000 0.831 233 N CB -0.289 38.207 38.487 0.014 0.000 0.865 233 N HN 0.627 nan 8.380 nan 0.000 0.716 234 K N 1.020 121.431 120.400 0.018 0.000 2.715 234 K HA 0.167 4.487 4.320 -0.000 0.000 0.248 234 K C -0.691 175.918 176.600 0.014 0.000 1.276 234 K CA 0.436 56.731 56.287 0.014 0.000 1.209 234 K CB -0.512 32.021 32.500 0.055 0.000 1.509 234 K HN 0.311 nan 8.250 nan 0.000 0.261 235 E N 0.357 120.557 120.200 -0.000 0.000 2.311 235 E HA 0.257 4.607 4.350 -0.000 0.000 0.281 235 E C -1.445 175.154 176.600 -0.001 0.000 0.905 235 E CA -0.611 55.794 56.400 0.007 0.000 0.778 235 E CB 2.069 31.773 29.700 0.006 0.000 1.240 235 E HN -0.035 nan 8.360 nan 0.000 0.410 236 V N 1.230 121.160 119.914 0.027 0.000 3.040 236 V HA 0.853 4.973 4.120 -0.000 0.000 0.312 236 V C -0.822 175.320 176.094 0.080 0.000 1.115 236 V CA -0.858 61.474 62.300 0.053 0.000 0.998 236 V CB 2.080 33.973 31.823 0.117 0.000 1.042 236 V HN 0.800 nan 8.190 nan 0.000 0.433 237 S N 0.206 115.973 115.700 0.112 0.000 2.606 237 S HA 0.399 4.869 4.470 -0.000 0.000 0.290 237 S C -0.982 173.707 174.600 0.149 0.000 1.103 237 S CA -0.521 57.744 58.200 0.109 0.000 0.870 237 S CB 1.053 64.290 63.200 0.061 0.000 1.077 237 S HN 1.749 nan 8.310 nan 0.000 0.448 238 V N 1.661 121.662 119.914 0.144 0.000 2.521 238 V HA 0.632 4.752 4.120 -0.000 0.000 0.286 238 V C 1.315 177.474 176.094 0.108 0.000 1.034 238 V CA 1.128 63.520 62.300 0.153 0.000 1.045 238 V CB 0.172 32.061 31.823 0.110 0.000 0.974 238 V HN 1.402 nan 8.190 nan 0.000 0.480 239 K N 3.963 124.433 120.400 0.116 0.000 2.026 239 K HA 0.332 4.652 4.320 -0.000 0.000 0.208 239 K C 1.272 177.908 176.600 0.059 0.000 1.048 239 K CA 2.980 59.309 56.287 0.071 0.000 0.929 239 K CB -0.719 31.820 32.500 0.065 0.000 0.713 239 K HN 1.973 nan 8.250 nan 0.000 0.439 240 R N -3.784 116.757 120.500 0.068 0.000 3.309 240 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 240 R C 0.301 176.640 176.300 0.065 0.000 0.901 240 R CA 0.106 56.240 56.100 0.056 0.000 0.793 240 R CB -0.824 29.502 30.300 0.043 0.000 1.578 240 R HN 1.369 nan 8.270 nan 0.000 0.475 241 V N -1.565 118.385 119.914 0.060 0.000 3.724 241 V HA 0.073 4.193 4.120 -0.000 0.000 0.531 241 V C 1.276 177.408 176.094 0.062 0.000 0.682 241 V CA 1.654 63.999 62.300 0.075 0.000 2.091 241 V CB -1.712 30.189 31.823 0.130 0.000 2.495 241 V HN 2.614 nan 8.190 nan 0.000 0.517 242 T N -1.820 112.769 114.554 0.058 0.000 13.238 242 T HA -0.019 4.331 4.350 -0.000 0.000 0.399 242 T C 0.193 174.898 174.700 0.008 0.000 1.590 242 T CA 1.266 63.390 62.100 0.040 0.000 2.617 242 T CB -1.054 67.834 68.868 0.033 0.000 2.529 242 T HN 2.678 nan 8.240 nan 0.000 0.190 243 Q N 2.418 122.219 119.800 0.001 0.000 0.906 243 Q HA -0.257 4.083 4.340 -0.000 0.000 0.405 243 Q C 0.190 176.173 176.000 -0.029 0.000 1.047 243 Q CA 2.449 58.241 55.803 -0.018 0.000 0.418 243 Q CB -1.569 27.151 28.738 -0.030 0.000 5.308 243 Q HN 0.789 nan 8.270 nan 0.000 0.447 244 D N -1.874 118.497 120.400 -0.048 0.000 4.259 244 D HA -0.183 4.457 4.640 -0.000 0.000 0.150 244 D C -1.978 174.328 176.300 0.009 0.000 0.731 244 D CA 2.200 56.165 54.000 -0.058 0.000 1.138 244 D CB -2.387 38.345 40.800 -0.113 0.000 0.540 244 D HN 0.831 nan 8.370 nan 0.000 0.507 245 P HA 0.335 nan 4.420 nan 0.000 0.282 245 P C -0.399 176.913 177.300 0.020 0.000 1.287 245 P CA -0.282 62.885 63.100 0.112 0.000 0.792 245 P CB 0.453 32.285 31.700 0.221 0.000 1.163 246 K N 0.450 120.839 120.400 -0.018 0.000 3.100 246 K HA 0.183 4.503 4.320 -0.000 0.000 0.256 246 K C -0.193 176.400 176.600 -0.012 0.000 1.146 246 K CA -0.060 56.216 56.287 -0.018 0.000 1.233 246 K CB -1.804 30.676 32.500 -0.033 0.000 1.226 246 K HN 0.304 nan 8.250 nan 0.000 0.442 247 L N 1.198 122.424 121.223 0.005 0.000 2.584 247 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 247 L C 0.310 177.203 176.870 0.038 0.000 1.195 247 L CA 0.376 55.235 54.840 0.031 0.000 0.920 247 L CB -0.076 42.019 42.059 0.059 0.000 1.173 247 L HN 0.239 nan 8.230 nan 0.000 0.489 248 Q N 2.939 122.766 119.800 0.044 0.000 2.245 248 Q HA 0.609 4.949 4.340 -0.000 0.000 0.256 248 Q C -0.763 175.280 176.000 0.072 0.000 0.942 248 Q CA -0.814 55.018 55.803 0.048 0.000 0.896 248 Q CB 2.666 31.424 28.738 0.034 0.000 1.272 248 Q HN 0.563 nan 8.270 nan 0.000 0.442 249 M N 0.476 120.120 119.600 0.073 0.000 2.602 249 M HA 0.562 5.042 4.480 -0.000 0.000 0.312 249 M C -0.489 175.872 176.300 0.102 0.000 1.181 249 M CA -0.315 55.039 55.300 0.091 0.000 0.910 249 M CB 1.994 34.643 32.600 0.082 0.000 1.723 249 M HN 0.602 nan 8.290 nan 0.000 0.459 250 G N 1.667 110.540 108.800 0.123 0.000 2.562 250 G HA2 0.329 4.289 3.960 -0.000 0.000 0.275 250 G HA3 0.329 4.289 3.960 -0.000 0.000 0.275 250 G C -0.100 174.862 174.900 0.104 0.000 1.196 250 G CA -0.438 44.735 45.100 0.122 0.000 0.908 250 G HN 0.855 nan 8.290 nan 0.000 0.524 251 K N -0.775 119.678 120.400 0.088 0.000 2.356 251 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 251 K C 0.397 177.034 176.600 0.062 0.000 1.037 251 K CA 0.505 56.835 56.287 0.071 0.000 1.014 251 K CB 0.178 32.713 32.500 0.058 0.000 0.815 251 K HN 0.307 nan 8.250 nan 0.000 0.507 252 K N 1.099 121.538 120.400 0.065 0.000 2.182 252 K HA 0.228 4.548 4.320 -0.000 0.000 0.262 252 K C 0.774 177.377 176.600 0.005 0.000 0.957 252 K CA -0.421 55.891 56.287 0.042 0.000 0.842 252 K CB 1.703 34.239 32.500 0.060 0.000 1.099 252 K HN -0.159 nan 8.250 nan 0.000 0.438 253 L N 1.576 122.783 121.223 -0.027 0.000 2.302 253 L HA -0.179 4.161 4.340 -0.000 0.000 0.218 253 L C -0.975 175.823 176.870 -0.119 0.000 1.100 253 L CA 1.677 56.468 54.840 -0.082 0.000 0.774 253 L CB -1.048 40.916 42.059 -0.159 0.000 0.896 253 L HN 0.516 nan 8.230 nan 0.000 0.439 254 P HA 0.177 nan 4.420 nan 0.000 0.220 254 P C -0.361 176.675 177.300 -0.440 0.000 1.793 254 P CA -0.530 62.437 63.100 -0.222 0.000 0.917 254 P CB 0.027 31.631 31.700 -0.161 0.000 1.755 255 L N 0.924 122.018 121.223 -0.215 0.000 4.444 255 L HA -0.223 4.117 4.340 -0.000 0.000 0.550 255 L C 0.353 176.944 176.870 -0.465 0.000 1.072 255 L CA 1.605 56.349 54.840 -0.161 0.000 0.526 255 L CB -1.083 41.075 42.059 0.165 0.000 0.633 255 L HN 0.440 nan 8.230 nan 0.000 1.083 256 H N 2.881 121.942 119.070 -0.015 0.000 2.854 256 H HA 0.350 4.906 4.556 -0.000 0.000 0.275 256 H C -0.253 175.081 175.328 0.009 0.000 1.198 256 H CA -0.786 55.225 56.048 -0.062 0.000 1.489 256 H CB 1.013 30.758 29.762 -0.029 0.000 1.519 256 H HN 0.464 nan 8.280 nan 0.000 0.503 257 L N 4.244 125.538 121.223 0.119 0.000 2.485 257 L HA 0.125 4.465 4.340 -0.000 0.000 0.279 257 L C 0.050 177.132 176.870 0.353 0.000 1.124 257 L CA 0.229 55.213 54.840 0.240 0.000 0.888 257 L CB -0.124 42.114 42.059 0.298 0.000 1.217 257 L HN 0.642 nan 8.230 nan 0.000 0.464 258 T N 2.824 117.505 114.554 0.211 0.000 2.837 258 T HA 0.442 4.792 4.350 -0.000 0.000 0.285 258 T C -0.273 174.496 174.700 0.115 0.000 0.984 258 T CA -0.722 61.458 62.100 0.134 0.000 1.049 258 T CB 2.065 70.964 68.868 0.052 0.000 0.947 258 T HN 0.543 nan 8.240 nan 0.000 0.472 259 L N 4.458 125.710 121.223 0.049 0.000 2.337 259 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 259 L C -2.521 174.280 176.870 -0.115 0.000 1.018 259 L CA -2.491 52.336 54.840 -0.021 0.000 0.876 259 L CB 1.649 43.719 42.059 0.018 0.000 1.236 259 L HN 0.497 nan 8.230 nan 0.000 0.436 260 P HA -0.014 nan 4.420 nan 0.000 0.266 260 P C -1.204 175.989 177.300 -0.179 0.000 1.195 260 P CA -0.020 63.008 63.100 -0.119 0.000 0.768 260 P CB 0.416 32.054 31.700 -0.102 0.000 0.838 261 Q N 1.170 120.882 119.800 -0.146 0.000 2.919 261 Q HA -0.239 4.101 4.340 -0.000 0.000 0.090 261 Q C -0.956 174.905 176.000 -0.231 0.000 1.541 261 Q CA 0.393 56.101 55.803 -0.158 0.000 0.429 261 Q CB -1.689 26.974 28.738 -0.126 0.000 0.628 261 Q HN 0.490 nan 8.270 nan 0.000 0.320 262 A N 6.158 128.888 122.820 -0.150 0.000 2.639 262 A HA 0.387 4.707 4.320 -0.000 0.000 0.295 262 A C 0.384 177.933 177.584 -0.059 0.000 1.443 262 A CA -0.265 51.704 52.037 -0.115 0.000 1.117 262 A CB -0.094 18.890 19.000 -0.026 0.000 1.098 262 A HN 0.568 nan 8.150 nan 0.000 0.552 263 L N 3.329 124.489 121.223 -0.105 0.000 2.375 263 L HA 0.238 4.578 4.340 -0.000 0.000 0.271 263 L C -1.376 175.620 176.870 0.210 0.000 1.107 263 L CA -2.066 52.829 54.840 0.092 0.000 0.806 263 L CB 1.030 43.202 42.059 0.188 0.000 1.146 263 L HN 0.353 nan 8.230 nan 0.000 0.447 264 P HA -0.248 nan 4.420 nan 0.000 0.217 264 P C 1.171 178.258 177.300 -0.355 0.000 1.151 264 P CA 1.183 64.153 63.100 -0.217 0.000 0.849 264 P CB 0.051 31.492 31.700 -0.431 0.000 0.787 265 Q N -1.549 118.053 119.800 -0.330 0.000 2.436 265 Q HA -0.132 4.208 4.340 -0.000 0.000 0.209 265 Q C 0.644 176.335 176.000 -0.514 0.000 0.965 265 Q CA 1.267 56.783 55.803 -0.479 0.000 0.910 265 Q CB -1.095 27.315 28.738 -0.547 0.000 0.980 265 Q HN 0.377 nan 8.270 nan 0.000 0.491 266 Y N 1.468 121.630 120.300 -0.231 0.000 2.547 266 Y HA 0.451 5.001 4.550 -0.000 0.000 0.325 266 Y C 0.773 176.589 175.900 -0.140 0.000 1.165 266 Y CA -0.062 57.849 58.100 -0.315 0.000 1.300 266 Y CB -0.055 38.237 38.460 -0.280 0.000 1.126 266 Y HN 0.147 nan 8.280 nan 0.000 0.513 267 A N -0.021 122.874 122.820 0.125 0.000 2.317 267 A HA 0.889 5.209 4.320 -0.000 0.000 0.327 267 A C 0.567 178.454 177.584 0.505 0.000 1.178 267 A CA 0.220 52.478 52.037 0.368 0.000 0.817 267 A CB 0.741 19.940 19.000 0.330 0.000 1.189 267 A HN 0.449 nan 8.150 nan 0.000 0.489 268 G N 0.006 109.193 108.800 0.644 0.000 2.351 268 G HA2 0.448 4.407 3.960 -0.000 0.000 0.279 268 G HA3 0.448 4.407 3.960 -0.000 0.000 0.279 268 G C -0.442 174.484 174.900 0.043 0.000 1.297 268 G CA 0.009 45.375 45.100 0.444 0.000 0.886 268 G HN 1.074 nan 8.290 nan 0.000 0.493 269 S N -1.368 114.208 115.700 -0.207 0.000 2.738 269 S HA 0.918 5.388 4.470 -0.000 0.000 0.284 269 S C 0.323 174.377 174.600 -0.909 0.000 1.146 269 S CA 0.173 58.110 58.200 -0.437 0.000 0.997 269 S CB 1.427 64.507 63.200 -0.201 0.000 1.081 269 S HN 2.045 nan 8.310 nan 0.000 0.553 270 G N 0.575 108.984 108.800 -0.652 0.000 2.556 270 G HA2 0.488 4.447 3.960 -0.000 0.000 0.294 270 G HA3 0.488 4.447 3.960 -0.000 0.000 0.294 270 G C -2.297 172.402 174.900 -0.336 0.000 1.516 270 G CA -0.936 43.823 45.100 -0.569 0.000 0.824 270 G HN 0.496 nan 8.290 nan 0.000 0.535 271 N N -0.269 118.324 118.700 -0.179 0.000 2.314 271 N HA 0.572 5.312 4.740 -0.000 0.000 0.294 271 N C -1.016 174.389 175.510 -0.174 0.000 1.029 271 N CA -0.550 52.391 53.050 -0.182 0.000 0.845 271 N CB 2.608 41.006 38.487 -0.149 0.000 1.321 271 N HN 0.493 nan 8.380 nan 0.000 0.481 272 L N 1.954 122.981 121.223 -0.326 0.000 2.283 272 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 272 L C -0.723 176.003 176.870 -0.239 0.000 1.033 272 L CA -0.250 54.366 54.840 -0.372 0.000 0.848 272 L CB 0.273 41.812 42.059 -0.868 0.000 1.226 272 L HN 0.553 nan 8.230 nan 0.000 0.429 273 T N 4.537 119.038 114.554 -0.087 0.000 2.744 273 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 273 T C -0.366 174.351 174.700 0.027 0.000 0.957 273 T CA -0.372 61.648 62.100 -0.133 0.000 1.002 273 T CB 1.333 70.062 68.868 -0.232 0.000 0.919 273 T HN 0.355 nan 8.240 nan 0.000 0.468 274 L N 2.702 123.957 121.223 0.054 0.000 2.334 274 L HA 0.784 5.124 4.340 -0.000 0.000 0.276 274 L C -0.618 176.204 176.870 -0.081 0.000 1.014 274 L CA -0.393 54.492 54.840 0.075 0.000 0.815 274 L CB 1.447 43.622 42.059 0.193 0.000 1.268 274 L HN 0.892 nan 8.230 nan 0.000 0.428 275 A N 5.928 128.681 122.820 -0.112 0.000 2.497 275 A HA 0.635 4.955 4.320 -0.000 0.000 0.280 275 A C -1.003 176.488 177.584 -0.155 0.000 1.065 275 A CA -0.627 51.332 52.037 -0.131 0.000 0.781 275 A CB 0.556 19.489 19.000 -0.112 0.000 1.289 275 A HN 0.675 nan 8.150 nan 0.000 0.415 276 L N 0.320 121.432 121.223 -0.186 0.000 2.777 276 L HA 0.978 5.318 4.340 -0.000 0.000 0.241 276 L C 0.216 176.969 176.870 -0.195 0.000 1.854 276 L CA -0.766 53.933 54.840 -0.234 0.000 2.070 276 L CB 0.516 42.351 42.059 -0.373 0.000 2.441 276 L HN 0.908 nan 8.230 nan 0.000 0.587 277 E N -1.746 118.311 120.200 -0.237 0.000 1.894 277 E HA 0.608 4.958 4.350 -0.000 0.000 0.215 277 E C -0.434 176.134 176.600 -0.053 0.000 1.642 277 E CA -0.204 56.126 56.400 -0.117 0.000 1.032 277 E CB 1.126 30.779 29.700 -0.079 0.000 1.625 277 E HN 0.905 nan 8.360 nan 0.000 0.591 278 A N -0.222 122.591 122.820 -0.010 0.000 3.259 278 A HA 0.008 4.328 4.320 -0.000 0.000 0.196 278 A C 0.128 177.721 177.584 0.015 0.000 0.701 278 A CA 0.455 52.504 52.037 0.020 0.000 2.223 278 A CB -0.850 18.194 19.000 0.073 0.000 0.604 278 A HN 0.270 nan 8.150 nan 0.000 0.576 279 K N 1.833 122.248 120.400 0.026 0.000 3.098 279 K HA 0.321 4.641 4.320 -0.000 0.000 0.204 279 K C 0.304 176.913 176.600 0.016 0.000 1.210 279 K CA 0.611 56.906 56.287 0.014 0.000 0.899 279 K CB 0.846 33.355 32.500 0.015 0.000 1.176 279 K HN 0.928 nan 8.250 nan 0.000 0.585 280 T N -1.258 113.291 114.554 -0.007 0.000 2.484 280 T HA 0.155 4.505 4.350 -0.000 0.000 0.407 280 T C 0.717 175.411 174.700 -0.011 0.000 1.049 280 T CA 0.731 62.816 62.100 -0.024 0.000 1.080 280 T CB 0.360 69.206 68.868 -0.037 0.000 1.041 280 T HN 0.650 nan 8.240 nan 0.000 0.546 281 G N -0.553 108.232 108.800 -0.026 0.000 2.336 281 G HA2 0.460 4.420 3.960 -0.000 0.000 0.300 281 G HA3 0.460 4.420 3.960 -0.000 0.000 0.300 281 G C -1.959 172.914 174.900 -0.046 0.000 1.375 281 G CA -0.613 44.477 45.100 -0.016 0.000 0.885 281 G HN 0.916 nan 8.290 nan 0.000 0.599 282 K N 0.774 121.148 120.400 -0.044 0.000 2.541 282 K HA 0.576 4.896 4.320 -0.000 0.000 0.250 282 K C -0.565 175.920 176.600 -0.191 0.000 0.950 282 K CA -0.762 55.440 56.287 -0.142 0.000 0.805 282 K CB 2.468 34.849 32.500 -0.198 0.000 1.166 282 K HN 0.487 nan 8.250 nan 0.000 0.430 283 L N 2.495 123.622 121.223 -0.160 0.000 2.456 283 L HA 0.401 4.741 4.340 -0.000 0.000 0.257 283 L C -0.229 176.527 176.870 -0.189 0.000 1.162 283 L CA -0.528 54.312 54.840 -0.000 0.000 0.808 283 L CB 0.151 42.252 42.059 0.071 0.000 1.136 283 L HN 0.607 nan 8.230 nan 0.000 0.466 284 H N 0.003 119.176 119.070 0.171 0.000 2.961 284 H HA 0.579 5.135 4.556 -0.000 0.000 0.371 284 H C -1.151 174.153 175.328 -0.040 0.000 1.190 284 H CA -0.715 55.342 56.048 0.015 0.000 1.138 284 H CB 1.737 31.465 29.762 -0.058 0.000 1.816 284 H HN 0.298 nan 8.280 nan 0.000 0.551 285 Q N 1.639 121.340 119.800 -0.165 0.000 2.364 285 Q HA 0.159 4.499 4.340 -0.000 0.000 0.257 285 Q C -1.245 174.549 176.000 -0.344 0.000 0.956 285 Q CA -0.598 54.999 55.803 -0.343 0.000 0.924 285 Q CB 2.876 31.052 28.738 -0.938 0.000 1.413 285 Q HN 0.843 nan 8.270 nan 0.000 0.418 286 E N 1.403 121.471 120.200 -0.219 0.000 2.373 286 E HA 0.501 4.851 4.350 -0.000 0.000 0.263 286 E C -1.307 175.152 176.600 -0.234 0.000 1.073 286 E CA -0.254 56.018 56.400 -0.213 0.000 0.894 286 E CB 1.159 30.777 29.700 -0.136 0.000 1.008 286 E HN 0.279 nan 8.360 nan 0.000 0.420 287 V N 4.772 124.512 119.914 -0.289 0.000 2.808 287 V HA 0.461 4.581 4.120 -0.000 0.000 0.308 287 V C -0.970 174.903 176.094 -0.369 0.000 1.099 287 V CA -0.873 61.255 62.300 -0.287 0.000 0.920 287 V CB 2.136 33.704 31.823 -0.425 0.000 1.014 287 V HN 0.829 nan 8.190 nan 0.000 0.425 288 N N 3.777 122.374 118.700 -0.172 0.000 2.264 288 N HA 0.644 5.384 4.740 -0.000 0.000 0.288 288 N C -1.867 173.741 175.510 0.162 0.000 1.094 288 N CA -0.571 52.414 53.050 -0.108 0.000 0.817 288 N CB 3.161 41.611 38.487 -0.062 0.000 1.604 288 N HN 0.443 nan 8.380 nan 0.000 0.473 289 L N 1.662 123.086 121.223 0.335 0.000 2.438 289 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 289 L C -1.357 175.735 176.870 0.371 0.000 0.972 289 L CA -0.635 54.481 54.840 0.461 0.000 0.831 289 L CB 1.821 44.360 42.059 0.801 0.000 1.273 289 L HN 0.318 nan 8.230 nan 0.000 0.405 290 V N 4.803 124.886 119.914 0.283 0.000 2.769 290 V HA 0.808 4.928 4.120 -0.000 0.000 0.312 290 V C -0.527 175.750 176.094 0.306 0.000 1.058 290 V CA -0.756 61.736 62.300 0.319 0.000 0.952 290 V CB 1.994 34.049 31.823 0.387 0.000 1.019 290 V HN 0.527 nan 8.190 nan 0.000 0.445 291 V N 3.552 123.667 119.914 0.334 0.000 2.925 291 V HA 0.587 4.707 4.120 -0.000 0.000 0.311 291 V C -0.484 175.803 176.094 0.323 0.000 1.104 291 V CA -0.558 61.926 62.300 0.306 0.000 0.954 291 V CB 2.069 34.074 31.823 0.302 0.000 1.022 291 V HN 0.921 nan 8.190 nan 0.000 0.427 292 M N 3.483 123.228 119.600 0.241 0.000 2.321 292 M HA 0.832 5.312 4.480 -0.000 0.000 0.315 292 M C -0.496 175.916 176.300 0.186 0.000 1.052 292 M CA -0.551 54.858 55.300 0.182 0.000 0.936 292 M CB 1.753 34.422 32.600 0.115 0.000 1.639 292 M HN 0.819 nan 8.290 nan 0.000 0.433 293 R N 3.350 123.962 120.500 0.186 0.000 2.407 293 R HA 0.801 5.141 4.340 -0.000 0.000 0.298 293 R C -1.007 175.361 176.300 0.113 0.000 1.166 293 R CA -0.070 56.136 56.100 0.175 0.000 1.006 293 R CB 0.882 31.347 30.300 0.275 0.000 1.145 293 R HN 0.887 nan 8.270 nan 0.000 0.538 294 A N 1.872 124.743 122.820 0.085 0.000 2.316 294 A HA 0.666 4.985 4.320 -0.000 0.000 0.311 294 A C -0.189 177.421 177.584 0.044 0.000 1.339 294 A CA -0.251 51.822 52.037 0.060 0.000 0.960 294 A CB 0.360 19.397 19.000 0.062 0.000 1.152 294 A HN 0.632 nan 8.150 nan 0.000 0.547 295 T N 2.545 117.118 114.554 0.032 0.000 3.109 295 T HA 0.216 4.566 4.350 -0.000 0.000 0.311 295 T C -0.495 174.197 174.700 -0.012 0.000 1.011 295 T CA -0.401 61.708 62.100 0.015 0.000 1.026 295 T CB 1.214 70.103 68.868 0.036 0.000 1.047 295 T HN 0.776 nan 8.240 nan 0.000 0.448 296 Q N 4.142 123.914 119.800 -0.047 0.000 2.297 296 Q HA 0.260 4.600 4.340 -0.000 0.000 0.267 296 Q C 0.682 176.656 176.000 -0.043 0.000 1.006 296 Q CA -0.247 55.509 55.803 -0.078 0.000 0.896 296 Q CB 0.545 29.212 28.738 -0.118 0.000 1.186 296 Q HN 0.657 nan 8.270 nan 0.000 0.392 297 L N 2.873 124.076 121.223 -0.034 0.000 1.925 297 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 297 L C 1.171 178.027 176.870 -0.024 0.000 1.082 297 L CA 1.527 56.355 54.840 -0.019 0.000 0.764 297 L CB -0.543 41.506 42.059 -0.016 0.000 0.887 297 L HN 0.721 nan 8.230 nan 0.000 0.432 298 Q N -1.258 118.523 119.800 -0.030 0.000 3.069 298 Q HA 0.184 4.524 4.340 -0.000 0.000 0.228 298 Q C 0.840 176.815 176.000 -0.040 0.000 1.131 298 Q CA -0.789 54.996 55.803 -0.028 0.000 0.454 298 Q CB -0.324 28.401 28.738 -0.021 0.000 5.178 298 Q HN -0.065 nan 8.270 nan 0.000 0.289 299 K N 0.718 121.097 120.400 -0.035 0.000 2.574 299 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 299 K C -0.531 176.033 176.600 -0.059 0.000 1.035 299 K CA 0.431 56.694 56.287 -0.041 0.000 0.982 299 K CB -0.467 32.018 32.500 -0.025 0.000 0.795 299 K HN 0.309 nan 8.250 nan 0.000 0.491 300 N N 1.164 119.830 118.700 -0.057 0.000 2.272 300 N HA 0.352 5.092 4.740 -0.000 0.000 0.305 300 N C -0.515 174.948 175.510 -0.079 0.000 1.103 300 N CA -0.707 52.304 53.050 -0.064 0.000 0.791 300 N CB 2.118 40.592 38.487 -0.021 0.000 1.356 300 N HN -0.000 nan 8.380 nan 0.000 0.486 301 L N -1.237 119.917 121.223 -0.116 0.000 2.260 301 L HA 0.896 5.236 4.340 -0.000 0.000 0.265 301 L C 0.061 176.917 176.870 -0.023 0.000 1.015 301 L CA -0.284 54.485 54.840 -0.118 0.000 0.826 301 L CB 1.707 43.605 42.059 -0.269 0.000 1.373 301 L HN 0.437 nan 8.230 nan 0.000 0.450 302 T N -1.060 113.488 114.554 -0.011 0.000 2.770 302 T HA 0.501 4.851 4.350 -0.000 0.000 0.323 302 T C -2.046 172.677 174.700 0.038 0.000 1.683 302 T CA -0.304 61.831 62.100 0.058 0.000 1.024 302 T CB 1.046 69.978 68.868 0.107 0.000 1.557 302 T HN 0.986 nan 8.240 nan 0.000 0.494 303 C N 2.546 121.874 119.300 0.047 0.000 3.239 303 C HA 0.863 5.323 4.460 -0.000 0.000 0.329 303 C C -2.042 172.947 174.990 -0.001 0.000 1.252 303 C CA -0.366 58.674 59.018 0.036 0.000 1.323 303 C CB 1.472 29.235 27.740 0.039 0.000 1.663 303 C HN 0.959 nan 8.230 nan 0.000 0.487 304 E N 3.196 123.379 120.200 -0.029 0.000 2.366 304 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 304 E C -1.959 174.504 176.600 -0.229 0.000 0.923 304 E CA -0.544 55.743 56.400 -0.188 0.000 0.761 304 E CB 1.663 31.141 29.700 -0.370 0.000 1.231 304 E HN 0.395 nan 8.360 nan 0.000 0.443 305 V N 2.583 122.326 119.914 -0.286 0.000 2.384 305 V HA 0.384 4.503 4.120 -0.000 0.000 0.287 305 V C -1.106 174.869 176.094 -0.199 0.000 1.020 305 V CA -0.426 61.794 62.300 -0.133 0.000 0.850 305 V CB 0.485 32.292 31.823 -0.026 0.000 0.987 305 V HN 0.603 nan 8.190 nan 0.000 0.436 306 W N 3.548 124.911 121.300 0.104 0.000 2.576 306 W HA 0.813 5.473 4.660 -0.000 0.000 0.360 306 W C 0.788 177.391 176.519 0.140 0.000 1.109 306 W CA 0.714 58.125 57.345 0.109 0.000 1.237 306 W CB 1.237 30.758 29.460 0.101 0.000 1.369 306 W HN 1.003 nan 8.180 nan 0.000 0.609 307 G N 0.735 109.788 108.800 0.422 0.000 2.466 307 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G C -2.728 172.314 174.900 0.237 0.000 1.237 307 G CA -0.856 44.436 45.100 0.321 0.000 0.954 307 G HN 0.408 nan 8.290 nan 0.000 0.580 308 P HA 0.293 nan 4.420 nan 0.000 0.238 308 P C 0.326 177.728 177.300 0.170 0.000 1.794 308 P CA 0.645 63.839 63.100 0.157 0.000 1.088 308 P CB -0.306 31.465 31.700 0.118 0.000 1.923 309 T N -0.990 113.653 114.554 0.148 0.000 2.934 309 T HA 0.447 4.797 4.350 -0.000 0.000 0.283 309 T C 0.267 175.022 174.700 0.091 0.000 1.005 309 T CA -0.716 61.460 62.100 0.128 0.000 1.041 309 T CB 1.144 70.068 68.868 0.092 0.000 1.042 309 T HN 0.180 nan 8.240 nan 0.000 0.505 310 S N 1.745 117.489 115.700 0.073 0.000 2.541 310 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 310 S C -1.801 172.818 174.600 0.032 0.000 1.196 310 S CA -1.685 56.546 58.200 0.052 0.000 1.062 310 S CB 0.999 64.229 63.200 0.051 0.000 1.009 310 S HN 0.646 nan 8.310 nan 0.000 0.502 311 P HA 0.147 nan 4.420 nan 0.000 0.252 311 P C 0.108 177.415 177.300 0.011 0.000 1.265 311 P CA 0.352 63.462 63.100 0.018 0.000 0.775 311 P CB 0.080 31.792 31.700 0.020 0.000 1.128 312 K N -0.763 119.644 120.400 0.011 0.000 2.365 312 K HA 0.170 4.490 4.320 -0.000 0.000 0.195 312 K C 1.032 177.630 176.600 -0.004 0.000 1.079 312 K CA 0.283 56.573 56.287 0.005 0.000 0.979 312 K CB -0.434 32.071 32.500 0.009 0.000 0.929 312 K HN 0.132 nan 8.250 nan 0.000 0.523 313 L N -0.268 120.952 121.223 -0.005 0.000 2.470 313 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 313 L C 0.418 177.272 176.870 -0.027 0.000 1.227 313 L CA -0.069 54.759 54.840 -0.021 0.000 0.824 313 L CB 0.041 42.084 42.059 -0.027 0.000 1.175 313 L HN -0.158 nan 8.230 nan 0.000 0.503 314 M N 0.941 120.517 119.600 -0.040 0.000 2.658 314 M HA 0.560 5.040 4.480 -0.000 0.000 0.295 314 M C -1.032 175.237 176.300 -0.051 0.000 1.248 314 M CA -0.370 54.904 55.300 -0.044 0.000 0.843 314 M CB 2.259 34.833 32.600 -0.044 0.000 1.749 314 M HN 0.549 nan 8.290 nan 0.000 0.464 315 L N 0.749 121.939 121.223 -0.055 0.000 2.371 315 L HA 0.836 5.176 4.340 -0.000 0.000 0.262 315 L C -1.266 175.570 176.870 -0.058 0.000 1.006 315 L CA -0.104 54.703 54.840 -0.054 0.000 0.818 315 L CB 2.289 44.313 42.059 -0.058 0.000 1.354 315 L HN 0.933 nan 8.230 nan 0.000 0.415 316 S N 3.724 119.397 115.700 -0.044 0.000 2.543 316 S HA 0.623 5.093 4.470 -0.000 0.000 0.274 316 S C -1.275 173.323 174.600 -0.003 0.000 1.149 316 S CA -0.708 57.468 58.200 -0.041 0.000 0.866 316 S CB 2.051 65.222 63.200 -0.049 0.000 1.111 316 S HN 0.500 nan 8.310 nan 0.000 0.457 317 L N 2.269 123.507 121.223 0.025 0.000 2.409 317 L HA 0.693 5.033 4.340 -0.000 0.000 0.272 317 L C -0.700 176.216 176.870 0.077 0.000 0.980 317 L CA -0.438 54.485 54.840 0.139 0.000 0.826 317 L CB 1.942 44.149 42.059 0.247 0.000 1.268 317 L HN 0.892 nan 8.230 nan 0.000 0.407 318 K N 2.361 122.716 120.400 -0.076 0.000 2.536 318 K HA 0.493 4.813 4.320 -0.000 0.000 0.269 318 K C -0.305 175.784 176.600 -0.852 0.000 0.965 318 K CA -0.942 55.056 56.287 -0.482 0.000 0.860 318 K CB 1.659 33.982 32.500 -0.295 0.000 1.423 318 K HN 0.383 nan 8.250 nan 0.000 0.438 319 L N -0.384 119.991 121.223 -1.413 0.000 2.672 319 L HA 0.257 4.597 4.340 -0.000 0.000 0.236 319 L C 1.097 177.635 176.870 -0.554 0.000 1.186 319 L CA 0.588 54.570 54.840 -1.431 0.000 0.977 319 L CB -0.692 40.499 42.059 -1.447 0.000 1.203 319 L HN 1.135 nan 8.230 nan 0.000 0.448 320 E N -0.238 119.734 120.200 -0.381 0.000 4.540 320 E HA -0.450 3.900 4.350 -0.000 0.000 0.175 320 E C 0.918 177.411 176.600 -0.178 0.000 1.236 320 E CA 1.856 58.132 56.400 -0.207 0.000 2.396 320 E CB -1.574 28.048 29.700 -0.130 0.000 1.797 320 E HN 0.602 nan 8.360 nan 0.000 0.437 321 N N 1.917 120.509 118.700 -0.180 0.000 2.020 321 N HA -0.119 4.621 4.740 -0.000 0.000 0.200 321 N C 0.700 176.132 175.510 -0.130 0.000 1.054 321 N CA 2.193 55.164 53.050 -0.131 0.000 0.874 321 N CB -0.271 38.141 38.487 -0.124 0.000 1.075 321 N HN 0.467 nan 8.380 nan 0.000 0.446 322 K N 1.195 121.497 120.400 -0.163 0.000 2.109 322 K HA 0.193 4.513 4.320 -0.000 0.000 0.243 322 K C 0.436 176.940 176.600 -0.160 0.000 1.006 322 K CA -0.624 55.580 56.287 -0.140 0.000 0.917 322 K CB 0.839 33.261 32.500 -0.131 0.000 1.081 322 K HN 0.117 nan 8.250 nan 0.000 0.468 323 E N 0.471 120.598 120.200 -0.123 0.000 2.605 323 E HA 0.080 4.430 4.350 -0.000 0.000 0.255 323 E C -0.197 176.324 176.600 -0.132 0.000 1.369 323 E CA -0.313 56.018 56.400 -0.115 0.000 1.017 323 E CB 0.215 29.866 29.700 -0.081 0.000 1.086 323 E HN 0.689 nan 8.360 nan 0.000 0.605 324 A N 0.441 123.195 122.820 -0.109 0.000 2.407 324 A HA -0.090 4.230 4.320 -0.000 0.000 0.303 324 A C 1.198 178.722 177.584 -0.100 0.000 0.910 324 A CA 1.602 53.578 52.037 -0.101 0.000 1.219 324 A CB -0.755 18.199 19.000 -0.076 0.000 0.726 324 A HN 0.637 nan 8.150 nan 0.000 0.375 325 K N 1.640 121.973 120.400 -0.111 0.000 2.361 325 K HA 0.483 4.803 4.320 -0.000 0.000 0.196 325 K C 0.630 177.225 176.600 -0.008 0.000 1.039 325 K CA 1.243 57.499 56.287 -0.051 0.000 1.001 325 K CB 0.241 32.717 32.500 -0.041 0.000 0.795 325 K HN 1.987 nan 8.250 nan 0.000 0.495 326 V N -0.104 119.784 119.914 -0.044 0.000 2.859 326 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 326 V C -2.010 174.024 176.094 -0.101 0.000 1.496 326 V CA -0.336 61.905 62.300 -0.098 0.000 0.929 326 V CB 1.475 33.201 31.823 -0.161 0.000 1.147 326 V HN 0.342 nan 8.190 nan 0.000 0.449 327 S N 5.922 121.557 115.700 -0.108 0.000 2.536 327 S HA 0.959 5.429 4.470 -0.000 0.000 0.298 327 S C -0.778 173.758 174.600 -0.107 0.000 1.083 327 S CA -0.376 57.769 58.200 -0.092 0.000 0.995 327 S CB 1.895 65.052 63.200 -0.071 0.000 1.058 327 S HN 0.943 nan 8.310 nan 0.000 0.488 328 K N 0.978 121.322 120.400 -0.092 0.000 2.755 328 K HA 0.340 4.660 4.320 -0.000 0.000 0.294 328 K C -1.668 174.894 176.600 -0.063 0.000 1.060 328 K CA -0.648 55.587 56.287 -0.088 0.000 0.845 328 K CB 1.131 33.554 32.500 -0.129 0.000 1.539 328 K HN 0.529 nan 8.250 nan 0.000 0.379 329 R N 1.939 122.411 120.500 -0.048 0.000 2.664 329 R HA 0.222 4.562 4.340 -0.000 0.000 0.281 329 R C -1.230 175.056 176.300 -0.024 0.000 1.383 329 R CA -0.118 55.963 56.100 -0.032 0.000 1.563 329 R CB 0.510 30.797 30.300 -0.021 0.000 1.131 329 R HN 0.599 nan 8.270 nan 0.000 0.599 330 E N 0.211 120.392 120.200 -0.032 0.000 2.429 330 E HA 0.077 4.427 4.350 -0.000 0.000 0.277 330 E C -0.836 175.733 176.600 -0.050 0.000 1.130 330 E CA -0.950 55.433 56.400 -0.028 0.000 0.875 330 E CB 0.576 30.270 29.700 -0.009 0.000 1.443 330 E HN 0.161 nan 8.360 nan 0.000 0.444 331 K N -0.397 119.959 120.400 -0.072 0.000 2.358 331 K HA 0.526 4.846 4.320 -0.000 0.000 0.197 331 K C 0.254 176.730 176.600 -0.206 0.000 1.025 331 K CA 0.273 56.478 56.287 -0.138 0.000 1.104 331 K CB 0.978 33.380 32.500 -0.164 0.000 0.855 331 K HN 0.417 nan 8.250 nan 0.000 0.531 332 A N 1.516 124.265 122.820 -0.119 0.000 3.127 332 A HA 0.390 4.710 4.320 -0.000 0.000 0.319 332 A C -0.920 176.716 177.584 0.087 0.000 1.104 332 A CA -0.582 51.408 52.037 -0.079 0.000 0.802 332 A CB 0.759 19.691 19.000 -0.114 0.000 1.193 332 A HN 0.041 nan 8.150 nan 0.000 0.479 333 V N 1.243 121.184 119.914 0.046 0.000 2.973 333 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 333 V C -0.364 175.814 176.094 0.139 0.000 1.066 333 V CA -0.127 62.181 62.300 0.014 0.000 1.021 333 V CB 1.714 33.445 31.823 -0.152 0.000 1.076 333 V HN 0.958 nan 8.190 nan 0.000 0.462 334 W N 1.737 123.028 121.300 -0.015 0.000 3.107 334 W HA 0.785 5.445 4.660 -0.000 0.000 0.331 334 W C -1.926 174.593 176.519 -0.000 0.000 1.204 334 W CA -1.121 56.214 57.345 -0.018 0.000 1.184 334 W CB 1.435 30.881 29.460 -0.024 0.000 1.421 334 W HN 0.257 nan 8.180 nan 0.000 0.544 335 V N 4.538 124.490 119.914 0.062 0.000 2.443 335 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 335 V C -0.086 176.047 176.094 0.065 0.000 1.002 335 V CA -0.915 61.391 62.300 0.009 0.000 0.840 335 V CB 0.532 32.361 31.823 0.010 0.000 1.042 335 V HN 0.764 nan 8.190 nan 0.000 0.446 336 L N 2.967 124.305 121.223 0.192 0.000 2.367 336 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 336 L C 0.473 177.381 176.870 0.063 0.000 1.129 336 L CA 0.383 55.304 54.840 0.135 0.000 0.839 336 L CB 0.398 42.572 42.059 0.193 0.000 1.133 336 L HN 0.683 nan 8.230 nan 0.000 0.453 337 N N 2.258 120.965 118.700 0.011 0.000 2.531 337 N HA -0.097 4.643 4.740 -0.000 0.000 0.279 337 N C -2.598 172.920 175.510 0.013 0.000 1.267 337 N CA 0.585 53.641 53.050 0.011 0.000 0.663 337 N CB -0.605 37.908 38.487 0.043 0.000 0.886 337 N HN 0.692 nan 8.380 nan 0.000 0.544 338 P HA 0.421 nan 4.420 nan 0.000 0.284 338 P C -0.712 176.667 177.300 0.132 0.000 1.287 338 P CA -0.284 62.782 63.100 -0.056 0.000 0.824 338 P CB 0.961 32.267 31.700 -0.656 0.000 1.180 339 E N -0.440 119.994 120.200 0.389 0.000 2.317 339 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 339 E C -0.932 175.882 176.600 0.357 0.000 0.885 339 E CA -1.279 55.283 56.400 0.271 0.000 0.760 339 E CB 1.971 31.787 29.700 0.194 0.000 1.227 339 E HN 0.471 nan 8.360 nan 0.000 0.434 340 A N 1.512 124.454 122.820 0.204 0.000 2.592 340 A HA 0.387 4.707 4.320 -0.000 0.000 0.250 340 A C 0.644 178.350 177.584 0.202 0.000 1.017 340 A CA 1.354 53.500 52.037 0.182 0.000 0.794 340 A CB -0.972 18.088 19.000 0.100 0.000 0.917 340 A HN 1.030 nan 8.150 nan 0.000 0.515 341 G N 1.823 110.772 108.800 0.248 0.000 2.358 341 G HA2 0.425 4.385 3.960 -0.000 0.000 0.301 341 G HA3 0.425 4.385 3.960 -0.000 0.000 0.301 341 G C -0.634 174.430 174.900 0.273 0.000 1.539 341 G CA -0.884 44.318 45.100 0.170 0.000 0.893 341 G HN 0.691 nan 8.290 nan 0.000 0.636 342 M N 1.406 121.092 119.600 0.145 0.000 2.974 342 M HA 0.221 4.701 4.480 -0.000 0.000 0.301 342 M C -0.457 175.951 176.300 0.180 0.000 1.409 342 M CA -0.236 55.164 55.300 0.166 0.000 1.515 342 M CB -0.279 32.373 32.600 0.086 0.000 1.163 342 M HN 0.446 nan 8.290 nan 0.000 0.520 343 W N 2.673 123.972 121.300 -0.002 0.000 2.274 343 W HA 0.029 4.689 4.660 -0.000 0.000 0.345 343 W C 0.450 176.966 176.519 -0.005 0.000 1.265 343 W CA 0.370 57.712 57.345 -0.005 0.000 1.293 343 W CB 0.134 29.592 29.460 -0.003 0.000 1.175 343 W HN 0.451 nan 8.180 nan 0.000 0.577 344 Q N 2.325 122.226 119.800 0.168 0.000 2.330 344 Q HA 0.399 4.739 4.340 -0.000 0.000 0.269 344 Q C -1.038 175.023 176.000 0.101 0.000 1.022 344 Q CA -0.885 54.975 55.803 0.095 0.000 0.796 344 Q CB 2.388 31.137 28.738 0.019 0.000 1.271 344 Q HN 0.465 nan 8.270 nan 0.000 0.450 345 C N 3.867 123.219 119.300 0.087 0.000 2.330 345 C HA 0.697 5.157 4.460 -0.000 0.000 0.344 345 C C -1.104 173.901 174.990 0.025 0.000 1.273 345 C CA -0.311 58.746 59.018 0.065 0.000 1.879 345 C CB -0.413 27.365 27.740 0.063 0.000 2.376 345 C HN 0.692 nan 8.230 nan 0.000 0.534 346 L N 6.913 128.138 121.223 0.002 0.000 2.381 346 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 346 L C -0.435 176.411 176.870 -0.041 0.000 0.988 346 L CA -0.180 54.646 54.840 -0.023 0.000 0.824 346 L CB 1.556 43.596 42.059 -0.032 0.000 1.263 346 L HN 0.518 nan 8.230 nan 0.000 0.410 347 L N 2.329 123.516 121.223 -0.060 0.000 2.341 347 L HA 0.788 5.128 4.340 -0.000 0.000 0.278 347 L C -0.309 176.486 176.870 -0.125 0.000 1.005 347 L CA 0.448 55.237 54.840 -0.085 0.000 0.818 347 L CB 1.728 43.736 42.059 -0.086 0.000 1.259 347 L HN 0.812 nan 8.230 nan 0.000 0.418 348 S N 3.422 119.055 115.700 -0.112 0.000 4.294 348 S HA 0.661 5.131 4.470 -0.000 0.000 0.254 348 S C -1.891 172.654 174.600 -0.091 0.000 1.087 348 S CA -0.064 58.067 58.200 -0.116 0.000 1.452 348 S CB 1.065 64.217 63.200 -0.080 0.000 1.502 348 S HN 0.821 nan 8.310 nan 0.000 0.698 349 D N -1.091 119.274 120.400 -0.059 0.000 2.369 349 D HA 0.291 4.931 4.640 -0.000 0.000 0.164 349 D C 0.180 176.465 176.300 -0.026 0.000 0.891 349 D CA 0.998 54.977 54.000 -0.034 0.000 1.027 349 D CB -0.042 40.744 40.800 -0.023 0.000 4.453 349 D HN 0.765 nan 8.370 nan 0.000 0.493 350 S N 1.721 117.410 115.700 -0.019 0.000 2.859 350 S HA -0.267 4.203 4.470 -0.000 0.000 0.245 350 S C 1.480 176.068 174.600 -0.020 0.000 1.352 350 S CA 2.108 60.299 58.200 -0.015 0.000 2.857 350 S CB -1.661 61.534 63.200 -0.008 0.000 1.421 350 S HN 1.612 nan 8.310 nan 0.000 0.495 351 G N 1.183 109.969 108.800 -0.023 0.000 3.990 351 G HA2 0.259 4.219 3.960 -0.000 0.000 0.204 351 G HA3 0.259 4.219 3.960 -0.000 0.000 0.204 351 G C -0.229 174.653 174.900 -0.030 0.000 1.420 351 G CA 0.415 45.499 45.100 -0.026 0.000 0.942 351 G HN 0.686 nan 8.290 nan 0.000 0.606 352 Q N 2.107 121.891 119.800 -0.027 0.000 2.255 352 Q HA 0.392 4.732 4.340 -0.000 0.000 0.280 352 Q C 0.160 176.131 176.000 -0.049 0.000 1.068 352 Q CA -0.279 55.507 55.803 -0.028 0.000 0.911 352 Q CB 0.880 29.609 28.738 -0.015 0.000 1.157 352 Q HN 0.158 nan 8.270 nan 0.000 0.380 353 V N 6.659 126.543 119.914 -0.049 0.000 2.509 353 V HA -0.148 3.972 4.120 -0.000 0.000 0.297 353 V C 1.310 177.345 176.094 -0.098 0.000 1.014 353 V CA 0.594 62.854 62.300 -0.066 0.000 1.127 353 V CB -0.192 31.604 31.823 -0.046 0.000 0.925 353 V HN 0.885 nan 8.190 nan 0.000 0.480 354 L N 4.175 125.297 121.223 -0.168 0.000 2.255 354 L HA 0.311 4.651 4.340 -0.000 0.000 0.196 354 L C 0.518 177.258 176.870 -0.217 0.000 1.202 354 L CA 0.412 55.061 54.840 -0.318 0.000 0.819 354 L CB 0.048 41.756 42.059 -0.585 0.000 1.006 354 L HN 0.409 nan 8.230 nan 0.000 0.480 355 L N 0.277 121.391 121.223 -0.181 0.000 2.295 355 L HA 0.310 4.650 4.340 -0.000 0.000 0.285 355 L C -0.465 176.391 176.870 -0.023 0.000 1.035 355 L CA 0.072 54.878 54.840 -0.057 0.000 0.806 355 L CB 1.568 43.617 42.059 -0.017 0.000 1.214 355 L HN 0.155 nan 8.230 nan 0.000 0.426 356 E N 1.571 121.775 120.200 0.006 0.000 2.241 356 E HA 0.483 4.833 4.350 -0.000 0.000 0.263 356 E C -1.524 175.095 176.600 0.031 0.000 0.882 356 E CA -0.338 56.070 56.400 0.012 0.000 0.769 356 E CB 1.685 31.388 29.700 0.006 0.000 1.185 356 E HN 0.479 nan 8.360 nan 0.000 0.415 357 S N 3.188 118.912 115.700 0.041 0.000 2.789 357 S HA 0.360 4.830 4.470 -0.000 0.000 0.286 357 S C -0.835 173.804 174.600 0.065 0.000 1.153 357 S CA -0.844 57.387 58.200 0.052 0.000 1.084 357 S CB 0.844 64.081 63.200 0.060 0.000 1.036 357 S HN 0.484 nan 8.310 nan 0.000 0.484 358 N N 1.809 120.545 118.700 0.061 0.000 2.530 358 N HA 0.763 5.503 4.740 -0.000 0.000 0.277 358 N C -0.732 174.826 175.510 0.080 0.000 1.168 358 N CA -0.254 52.842 53.050 0.076 0.000 0.979 358 N CB 0.703 39.224 38.487 0.058 0.000 1.141 358 N HN 0.603 nan 8.380 nan 0.000 0.459 359 I N -0.353 120.283 120.570 0.110 0.000 2.771 359 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 359 I C -1.649 174.544 176.117 0.126 0.000 1.527 359 I CA -0.651 60.703 61.300 0.089 0.000 1.024 359 I CB 1.293 39.328 38.000 0.058 0.000 1.388 359 I HN 0.549 nan 8.210 nan 0.000 0.447 360 K N 5.640 126.090 120.400 0.084 0.000 2.185 360 K HA 0.905 5.225 4.320 -0.000 0.000 0.240 360 K C -1.430 175.187 176.600 0.028 0.000 0.983 360 K CA -0.958 55.395 56.287 0.110 0.000 0.873 360 K CB 2.134 34.694 32.500 0.099 0.000 1.118 360 K HN 0.276 nan 8.250 nan 0.000 0.441 361 V N 2.098 122.044 119.914 0.054 0.000 2.715 361 V HA 0.210 4.330 4.120 -0.000 0.000 0.310 361 V C 1.107 177.217 176.094 0.028 0.000 1.054 361 V CA -0.886 61.400 62.300 -0.023 0.000 0.928 361 V CB 1.367 33.139 31.823 -0.085 0.000 1.007 361 V HN 0.766 nan 8.190 nan 0.000 0.437 362 L N 1.819 123.044 121.223 0.003 0.000 2.004 362 L HA 0.246 4.585 4.340 -0.000 0.000 0.205 362 L C -0.747 176.137 176.870 0.023 0.000 1.089 362 L CA 0.151 54.999 54.840 0.014 0.000 0.756 362 L CB -2.123 39.937 42.059 0.001 0.000 0.900 362 L HN 0.477 nan 8.230 nan 0.000 0.440 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.114 63.100 0.023 0.000 0.800 363 P CB 0.000 31.710 31.700 0.017 0.000 0.726