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 1q12_1_A DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.184 176.094 0.150 0.000 1.182 4 V CA 0.000 62.379 62.300 0.132 0.000 1.235 4 V CB 0.000 31.889 31.823 0.110 0.000 1.184 5 Q N 0.301 120.203 119.800 0.170 0.000 2.978 5 Q HA 0.540 4.885 4.340 0.008 0.000 0.207 5 Q C -2.439 173.699 176.000 0.228 0.000 1.007 5 Q CA -0.345 55.568 55.803 0.183 0.000 1.100 5 Q CB 1.715 30.552 28.738 0.165 0.000 1.971 5 Q HN 0.253 nan 8.270 nan 0.000 0.536 6 L N 2.274 123.609 121.223 0.186 0.000 2.401 6 L HA 0.625 4.970 4.340 0.008 0.000 0.266 6 L C -1.015 175.947 176.870 0.153 0.000 0.991 6 L CA -0.274 54.669 54.840 0.173 0.000 0.818 6 L CB 2.335 44.467 42.059 0.120 0.000 1.321 6 L HN 0.558 nan 8.230 nan 0.000 0.413 7 Q N 2.432 122.329 119.800 0.163 0.000 2.275 7 Q HA 0.426 4.771 4.340 0.008 0.000 0.266 7 Q C -0.400 175.655 176.000 0.092 0.000 1.002 7 Q CA -0.632 55.245 55.803 0.125 0.000 0.761 7 Q CB 1.642 30.473 28.738 0.156 0.000 1.255 7 Q HN 0.587 nan 8.270 nan 0.000 0.446 8 N N -0.312 118.426 118.700 0.062 0.000 2.650 8 N HA -0.178 4.567 4.740 0.008 0.000 0.249 8 N C -0.461 175.066 175.510 0.027 0.000 1.155 8 N CA 0.725 53.799 53.050 0.040 0.000 0.747 8 N CB -1.221 37.288 38.487 0.036 0.000 1.132 8 N HN 0.324 nan 8.380 nan 0.000 0.564 9 V N 1.555 121.489 119.914 0.033 0.000 2.506 9 V HA -0.050 4.075 4.120 0.008 0.000 0.296 9 V C 1.068 177.156 176.094 -0.011 0.000 1.004 9 V CA 0.924 63.229 62.300 0.008 0.000 1.150 9 V CB 0.394 32.225 31.823 0.014 0.000 0.911 9 V HN 0.173 nan 8.190 nan 0.000 0.476 10 T N 5.377 119.912 114.554 -0.032 0.000 2.908 10 T HA 0.728 5.083 4.350 0.008 0.000 0.290 10 T C -0.443 174.208 174.700 -0.082 0.000 1.034 10 T CA -0.906 61.167 62.100 -0.045 0.000 1.010 10 T CB 2.049 70.894 68.868 -0.038 0.000 1.068 10 T HN 0.650 nan 8.240 nan 0.000 0.481 11 K N 0.926 121.268 120.400 -0.097 0.000 2.571 11 K HA 0.736 5.061 4.320 0.008 0.000 0.252 11 K C -1.959 174.539 176.600 -0.171 0.000 0.956 11 K CA -0.460 55.724 56.287 -0.171 0.000 0.822 11 K CB 1.448 33.835 32.500 -0.189 0.000 1.286 11 K HN 0.851 nan 8.250 nan 0.000 0.439 12 A N 3.259 125.937 122.820 -0.237 0.000 2.515 12 A HA 0.698 5.023 4.320 0.008 0.000 0.298 12 A C -1.914 175.538 177.584 -0.219 0.000 1.059 12 A CA -0.802 51.146 52.037 -0.147 0.000 0.698 12 A CB 0.793 19.760 19.000 -0.054 0.000 1.289 12 A HN 0.636 nan 8.150 nan 0.000 0.404 13 W N 2.578 123.864 121.300 -0.023 0.000 2.296 13 W HA 0.504 5.168 4.660 0.007 0.000 0.333 13 W C 1.103 177.610 176.519 -0.020 0.000 0.931 13 W CA 1.040 58.371 57.345 -0.023 0.000 1.538 13 W CB 1.128 30.573 29.460 -0.025 0.000 1.417 13 W HN 1.627 nan 8.180 nan 0.000 0.380 14 G N 2.148 111.034 108.800 0.142 0.000 2.889 14 G HA2 -0.489 3.476 3.960 0.008 0.000 0.308 14 G HA3 -0.489 3.476 3.960 0.008 0.000 0.308 14 G C 0.952 175.887 174.900 0.059 0.000 1.248 14 G CA 0.997 46.151 45.100 0.089 0.000 0.982 14 G HN 0.418 nan 8.290 nan 0.000 0.571 15 E N 0.137 120.374 120.200 0.062 0.000 2.481 15 E HA 0.430 4.784 4.350 0.008 0.000 0.198 15 E C 0.530 177.158 176.600 0.046 0.000 1.027 15 E CA 0.450 56.874 56.400 0.040 0.000 0.900 15 E CB 0.524 30.242 29.700 0.029 0.000 0.993 15 E HN 0.549 nan 8.360 nan 0.000 0.482 16 V N 2.159 122.121 119.914 0.080 0.000 2.311 16 V HA 0.287 4.412 4.120 0.008 0.000 0.275 16 V C -0.023 176.130 176.094 0.099 0.000 1.022 16 V CA -0.881 61.471 62.300 0.086 0.000 0.830 16 V CB 1.290 33.176 31.823 0.105 0.000 1.012 16 V HN -0.036 nan 8.190 nan 0.000 0.452 17 V N 5.243 125.188 119.914 0.051 0.000 2.881 17 V HA 0.245 4.370 4.120 0.008 0.000 0.303 17 V C 0.797 176.921 176.094 0.050 0.000 1.070 17 V CA 0.184 62.501 62.300 0.029 0.000 1.074 17 V CB 1.809 33.635 31.823 0.004 0.000 1.012 17 V HN 0.614 nan 8.190 nan 0.000 0.482 18 V N 2.180 122.117 119.914 0.038 0.000 3.372 18 V HA 0.326 4.451 4.120 0.008 0.000 0.304 18 V C 0.418 176.522 176.094 0.017 0.000 1.530 18 V CA 0.556 62.890 62.300 0.058 0.000 1.080 18 V CB 0.824 32.735 31.823 0.147 0.000 0.929 18 V HN 0.948 nan 8.190 nan 0.000 0.455 19 S N 0.849 116.544 115.700 -0.008 0.000 2.730 19 S HA 0.250 4.724 4.470 0.008 0.000 0.150 19 S C -0.567 174.024 174.600 -0.015 0.000 1.139 19 S CA -0.660 57.532 58.200 -0.014 0.000 1.155 19 S CB 0.615 63.800 63.200 -0.025 0.000 1.682 19 S HN 0.272 nan 8.310 nan 0.000 0.452 20 K N 4.750 125.142 120.400 -0.013 0.000 2.367 20 K HA -0.014 4.311 4.320 0.008 0.000 0.275 20 K C 0.194 176.792 176.600 -0.003 0.000 1.125 20 K CA 0.226 56.506 56.287 -0.012 0.000 1.133 20 K CB -0.366 32.126 32.500 -0.014 0.000 0.875 20 K HN 0.613 nan 8.250 nan 0.000 0.467 21 D N 3.307 123.706 120.400 -0.003 0.000 7.152 21 D HA -0.250 4.395 4.640 0.008 0.000 0.171 21 D C -0.217 176.095 176.300 0.021 0.000 1.168 21 D CA 0.611 54.616 54.000 0.009 0.000 0.899 21 D CB -0.980 39.826 40.800 0.010 0.000 1.500 21 D HN 0.428 nan 8.370 nan 0.000 0.850 22 I N -1.701 118.886 120.570 0.029 0.000 2.392 22 I HA 0.397 4.572 4.170 0.008 0.000 0.295 22 I C -0.350 175.806 176.117 0.065 0.000 0.985 22 I CA -0.671 60.658 61.300 0.048 0.000 1.221 22 I CB 1.534 39.568 38.000 0.057 0.000 1.366 22 I HN 0.124 nan 8.210 nan 0.000 0.467 23 N N 7.099 125.842 118.700 0.072 0.000 2.479 23 N HA 0.532 5.276 4.740 0.008 0.000 0.261 23 N C -1.269 174.298 175.510 0.095 0.000 0.979 23 N CA -0.505 52.592 53.050 0.079 0.000 0.930 23 N CB 1.887 40.411 38.487 0.061 0.000 1.172 23 N HN 0.507 nan 8.380 nan 0.000 0.499 24 L N 0.868 122.162 121.223 0.118 0.000 2.319 24 L HA 0.472 4.816 4.340 0.008 0.000 0.267 24 L C -0.389 176.559 176.870 0.131 0.000 1.011 24 L CA -0.649 54.273 54.840 0.137 0.000 0.818 24 L CB 2.014 44.197 42.059 0.206 0.000 1.316 24 L HN 0.361 nan 8.230 nan 0.000 0.432 25 D N 2.413 122.891 120.400 0.130 0.000 2.517 25 D HA 0.305 4.950 4.640 0.008 0.000 0.263 25 D C -0.737 175.686 176.300 0.204 0.000 1.233 25 D CA -0.212 53.883 54.000 0.159 0.000 0.849 25 D CB 0.689 41.582 40.800 0.155 0.000 1.261 25 D HN 0.241 nan 8.370 nan 0.000 0.516 26 I N 3.597 124.286 120.570 0.198 0.000 2.329 26 I HA 0.107 4.282 4.170 0.008 0.000 0.295 26 I C 1.173 177.450 176.117 0.265 0.000 1.109 26 I CA -0.313 61.103 61.300 0.193 0.000 1.297 26 I CB 0.241 38.353 38.000 0.187 0.000 1.433 26 I HN 0.139 nan 8.210 nan 0.000 0.509 27 H N 4.991 124.105 119.070 0.074 0.000 2.913 27 H HA 0.027 4.588 4.556 0.009 0.000 0.365 27 H C 0.360 175.736 175.328 0.079 0.000 1.155 27 H CA -0.409 55.679 56.048 0.067 0.000 1.417 27 H CB 0.835 30.634 29.762 0.060 0.000 1.386 27 H HN 0.567 nan 8.280 nan 0.000 0.614 28 E N 0.695 121.001 120.200 0.177 0.000 2.366 28 E HA 0.045 4.399 4.350 0.008 0.000 0.266 28 E C 0.733 177.420 176.600 0.145 0.000 1.015 28 E CA 0.667 57.145 56.400 0.130 0.000 0.906 28 E CB 0.270 30.016 29.700 0.077 0.000 0.979 28 E HN 0.910 nan 8.360 nan 0.000 0.443 29 G N 3.971 112.863 108.800 0.154 0.000 2.241 29 G HA2 -0.290 3.674 3.960 0.008 0.000 0.244 29 G HA3 -0.290 3.674 3.960 0.008 0.000 0.244 29 G C 0.236 175.315 174.900 0.299 0.000 0.998 29 G CA 0.198 45.404 45.100 0.177 0.000 0.621 29 G HN 0.613 nan 8.290 nan 0.000 0.519 30 E N -0.268 120.075 120.200 0.240 0.000 2.415 30 E HA 0.369 4.723 4.350 0.008 0.000 0.262 30 E C -0.770 175.939 176.600 0.181 0.000 1.038 30 E CA -0.459 56.074 56.400 0.222 0.000 0.921 30 E CB 0.335 30.119 29.700 0.140 0.000 0.950 30 E HN 0.135 nan 8.360 nan 0.000 0.438 31 F N 3.956 123.875 119.950 -0.051 0.000 2.332 31 F HA 0.252 4.784 4.527 0.009 0.000 0.368 31 F C -0.856 174.876 175.800 -0.113 0.000 1.110 31 F CA -0.734 57.129 58.000 -0.228 0.000 1.087 31 F CB 0.590 39.257 39.000 -0.554 0.000 1.235 31 F HN 0.032 nan 8.300 nan 0.000 0.470 32 V N 6.864 126.908 119.914 0.217 0.000 2.417 32 V HA 0.506 4.631 4.120 0.008 0.000 0.291 32 V C -0.467 175.731 176.094 0.173 0.000 1.024 32 V CA -0.913 61.458 62.300 0.119 0.000 0.861 32 V CB 1.531 33.369 31.823 0.024 0.000 0.985 32 V HN 0.550 nan 8.190 nan 0.000 0.436 33 V N 2.020 121.977 119.914 0.072 0.000 2.547 33 V HA 0.726 4.851 4.120 0.008 0.000 0.299 33 V C -0.932 175.136 176.094 -0.044 0.000 1.040 33 V CA -0.629 61.780 62.300 0.182 0.000 0.913 33 V CB 1.599 33.541 31.823 0.199 0.000 0.992 33 V HN 0.541 nan 8.190 nan 0.000 0.449 34 F N 3.820 123.868 119.950 0.163 0.000 2.436 34 F HA 0.786 5.316 4.527 0.004 0.000 0.340 34 F C 0.297 176.161 175.800 0.105 0.000 1.113 34 F CA -0.555 57.510 58.000 0.108 0.000 1.022 34 F CB 2.139 41.185 39.000 0.076 0.000 1.128 34 F HN 0.722 nan 8.300 nan 0.000 0.466 35 V N 0.358 120.413 119.914 0.235 0.000 3.102 35 V HA 1.106 5.230 4.120 0.008 0.000 0.312 35 V C -0.399 175.742 176.094 0.079 0.000 1.135 35 V CA -0.832 61.612 62.300 0.239 0.000 1.022 35 V CB 1.450 33.495 31.823 0.368 0.000 1.056 35 V HN 1.086 nan 8.190 nan 0.000 0.436 36 G N 0.862 109.690 108.800 0.047 0.000 2.358 36 G HA2 0.499 4.464 3.960 0.008 0.000 0.301 36 G HA3 0.499 4.464 3.960 0.008 0.000 0.301 36 G C -3.606 171.371 174.900 0.128 0.000 1.539 36 G CA -0.650 44.279 45.100 -0.285 0.000 0.893 36 G HN 0.747 nan 8.290 nan 0.000 0.636 37 P HA 0.231 nan 4.420 nan 0.000 0.266 37 P C 0.593 178.039 177.300 0.244 0.000 1.186 37 P CA 0.129 63.412 63.100 0.305 0.000 0.767 37 P CB 0.690 32.531 31.700 0.234 0.000 0.820 38 S N 2.393 118.209 115.700 0.194 0.000 2.563 38 S HA 0.265 4.740 4.470 0.008 0.000 0.294 38 S C 1.245 175.912 174.600 0.112 0.000 1.279 38 S CA 0.833 59.134 58.200 0.169 0.000 1.069 38 S CB -1.409 61.842 63.200 0.085 0.000 0.828 38 S HN 0.926 nan 8.310 nan 0.000 0.497 39 G N 2.937 111.797 108.800 0.100 0.000 2.198 39 G HA2 -0.272 3.692 3.960 0.008 0.000 0.257 39 G HA3 -0.272 3.692 3.960 0.008 0.000 0.257 39 G C 0.748 175.674 174.900 0.044 0.000 1.042 39 G CA 0.380 45.513 45.100 0.054 0.000 0.791 39 G HN 1.715 nan 8.290 nan 0.000 0.502 40 C N -1.980 117.351 119.300 0.053 0.000 2.780 40 C HA 0.666 5.131 4.460 0.008 0.000 0.267 40 C C 1.994 176.995 174.990 0.019 0.000 1.266 40 C CA 0.390 59.420 59.018 0.020 0.000 1.709 40 C CB -0.439 27.307 27.740 0.010 0.000 1.975 40 C HN 2.326 nan 8.230 nan 0.000 0.582 41 G N 1.051 109.870 108.800 0.030 0.000 2.155 41 G HA2 -0.152 3.813 3.960 0.008 0.000 0.135 41 G HA3 -0.152 3.813 3.960 0.008 0.000 0.135 41 G C 0.594 175.490 174.900 -0.007 0.000 1.023 41 G CA 0.222 45.336 45.100 0.022 0.000 0.688 41 G HN 0.534 nan 8.290 nan 0.000 0.499 42 K N 0.360 120.757 120.400 -0.005 0.000 2.031 42 K HA 0.064 4.389 4.320 0.008 0.000 0.205 42 K C 2.565 179.112 176.600 -0.087 0.000 1.049 42 K CA 1.508 57.767 56.287 -0.048 0.000 0.939 42 K CB -0.184 32.313 32.500 -0.006 0.000 0.717 42 K HN 0.247 nan 8.250 nan 0.000 0.438 43 S N 0.606 116.278 115.700 -0.047 0.000 2.368 43 S HA -0.107 4.367 4.470 0.008 0.000 0.224 43 S C 2.043 176.621 174.600 -0.037 0.000 1.029 43 S CA 1.490 59.664 58.200 -0.044 0.000 0.988 43 S CB -0.291 62.885 63.200 -0.040 0.000 0.838 43 S HN 0.308 nan 8.310 nan 0.000 0.462 44 T N 2.818 117.366 114.554 -0.010 0.000 2.652 44 T HA -0.056 4.299 4.350 0.008 0.000 0.267 44 T C 1.769 176.446 174.700 -0.039 0.000 1.039 44 T CA 1.192 63.302 62.100 0.016 0.000 1.153 44 T CB -0.514 68.397 68.868 0.071 0.000 0.863 44 T HN 0.262 nan 8.240 nan 0.000 0.428 45 L N 0.251 121.424 121.223 -0.083 0.000 2.127 45 L HA -0.087 4.258 4.340 0.008 0.000 0.211 45 L C 2.202 178.976 176.870 -0.160 0.000 1.089 45 L CA 1.165 55.923 54.840 -0.137 0.000 0.757 45 L CB -0.207 41.723 42.059 -0.216 0.000 0.899 45 L HN 0.196 nan 8.230 nan 0.000 0.434 46 L N -0.406 120.722 121.223 -0.159 0.000 2.156 46 L HA -0.103 4.242 4.340 0.008 0.000 0.208 46 L C 2.538 179.384 176.870 -0.039 0.000 1.095 46 L CA 1.481 56.251 54.840 -0.118 0.000 0.770 46 L CB -0.470 41.536 42.059 -0.089 0.000 0.914 46 L HN 0.149 nan 8.230 nan 0.000 0.439 47 R N -1.494 118.993 120.500 -0.023 0.000 2.299 47 R HA 0.076 4.420 4.340 0.008 0.000 0.197 47 R C 1.755 178.047 176.300 -0.013 0.000 0.971 47 R CA 0.498 56.602 56.100 0.006 0.000 1.030 47 R CB -0.058 30.248 30.300 0.009 0.000 0.932 47 R HN 0.416 nan 8.270 nan 0.000 0.477 48 M N -0.312 119.265 119.600 -0.039 0.000 2.501 48 M HA 0.096 4.580 4.480 0.008 0.000 0.261 48 M C 1.783 178.056 176.300 -0.045 0.000 1.129 48 M CA 0.833 56.101 55.300 -0.053 0.000 1.126 48 M CB 0.345 32.903 32.600 -0.070 0.000 1.359 48 M HN 0.035 nan 8.290 nan 0.000 0.471 49 I N -0.316 120.230 120.570 -0.039 0.000 2.876 49 I HA -0.090 4.085 4.170 0.008 0.000 0.264 49 I C 2.396 178.504 176.117 -0.015 0.000 1.204 49 I CA 0.554 61.839 61.300 -0.025 0.000 1.485 49 I CB -0.221 37.765 38.000 -0.023 0.000 1.103 49 I HN 0.176 nan 8.210 nan 0.000 0.446 50 A N 0.188 123.004 122.820 -0.007 0.000 1.887 50 A HA 0.340 4.665 4.320 0.008 0.000 0.212 50 A C 1.950 179.535 177.584 0.002 0.000 1.198 50 A CA 1.279 53.320 52.037 0.008 0.000 0.628 50 A CB -0.286 18.739 19.000 0.042 0.000 0.847 50 A HN 0.440 nan 8.150 nan 0.000 0.449 51 G N -1.457 107.342 108.800 -0.003 0.000 2.260 51 G HA2 -0.166 3.799 3.960 0.008 0.000 0.179 51 G HA3 -0.166 3.799 3.960 0.008 0.000 0.179 51 G C 0.804 175.703 174.900 -0.001 0.000 1.002 51 G CA 0.202 45.295 45.100 -0.012 0.000 0.677 51 G HN 0.344 nan 8.290 nan 0.000 0.486 52 L N -0.211 121.024 121.223 0.020 0.000 2.450 52 L HA 0.252 4.597 4.340 0.008 0.000 0.224 52 L C 1.042 177.922 176.870 0.018 0.000 1.149 52 L CA 1.037 55.896 54.840 0.030 0.000 0.816 52 L CB -0.100 41.988 42.059 0.048 0.000 0.932 52 L HN 0.238 nan 8.230 nan 0.000 0.449 53 E N -0.684 119.511 120.200 -0.009 0.000 2.317 53 E HA 0.253 4.608 4.350 0.008 0.000 0.270 53 E C -0.375 176.165 176.600 -0.099 0.000 0.885 53 E CA -0.514 55.860 56.400 -0.044 0.000 0.760 53 E CB 1.659 31.339 29.700 -0.034 0.000 1.227 53 E HN -0.018 nan 8.360 nan 0.000 0.434 54 T N -0.078 114.378 114.554 -0.164 0.000 2.889 54 T HA 0.510 4.864 4.350 0.008 0.000 0.291 54 T C 0.421 175.002 174.700 -0.198 0.000 0.995 54 T CA -0.578 61.421 62.100 -0.168 0.000 1.092 54 T CB 0.238 69.002 68.868 -0.174 0.000 0.954 54 T HN 0.344 nan 8.240 nan 0.000 0.506 55 I N 4.003 124.484 120.570 -0.148 0.000 2.308 55 I HA 0.105 4.280 4.170 0.008 0.000 0.293 55 I C 1.595 177.632 176.117 -0.134 0.000 1.078 55 I CA -0.513 60.705 61.300 -0.136 0.000 1.292 55 I CB 0.821 38.759 38.000 -0.104 0.000 1.423 55 I HN 0.858 nan 8.210 nan 0.000 0.493 56 T N 3.551 118.013 114.554 -0.154 0.000 2.652 56 T HA -0.084 4.271 4.350 0.008 0.000 0.267 56 T C 0.770 175.417 174.700 -0.088 0.000 1.039 56 T CA 1.243 63.265 62.100 -0.131 0.000 1.153 56 T CB 0.078 68.862 68.868 -0.140 0.000 0.863 56 T HN 0.602 nan 8.240 nan 0.000 0.428 57 S N -1.680 113.976 115.700 -0.073 0.000 2.697 57 S HA 0.652 5.127 4.470 0.008 0.000 0.289 57 S C 0.095 174.673 174.600 -0.036 0.000 1.149 57 S CA -0.394 57.777 58.200 -0.048 0.000 0.850 57 S CB 1.948 65.127 63.200 -0.035 0.000 1.151 57 S HN 0.844 nan 8.310 nan 0.000 0.491 58 G N 1.045 109.836 108.800 -0.016 0.000 2.757 58 G HA2 -0.007 3.958 3.960 0.008 0.000 0.638 58 G HA3 -0.007 3.958 3.960 0.008 0.000 0.638 58 G C -2.126 172.771 174.900 -0.005 0.000 1.344 58 G CA -0.615 44.490 45.100 0.008 0.000 0.855 58 G HN 0.683 nan 8.290 nan 0.000 0.537 59 D N -0.331 120.093 120.400 0.040 0.000 2.787 59 D HA 0.489 5.133 4.640 0.008 0.000 0.246 59 D C -0.663 175.610 176.300 -0.045 0.000 1.150 59 D CA -0.453 53.515 54.000 -0.054 0.000 0.864 59 D CB 2.407 43.234 40.800 0.045 0.000 1.481 59 D HN 0.504 nan 8.370 nan 0.000 0.509 60 L N 1.965 123.046 121.223 -0.237 0.000 2.287 60 L HA 0.458 4.803 4.340 0.008 0.000 0.287 60 L C -1.433 175.260 176.870 -0.296 0.000 1.022 60 L CA -0.317 54.454 54.840 -0.114 0.000 0.814 60 L CB 0.490 42.495 42.059 -0.091 0.000 1.217 60 L HN 0.202 nan 8.230 nan 0.000 0.420 61 F N 6.390 126.347 119.950 0.012 0.000 2.389 61 F HA 0.444 4.975 4.527 0.007 0.000 0.327 61 F C 0.228 176.037 175.800 0.015 0.000 1.204 61 F CA -0.571 57.436 58.000 0.011 0.000 1.209 61 F CB 0.010 39.017 39.000 0.012 0.000 1.460 61 F HN 0.291 nan 8.300 nan 0.000 0.537 62 I N 1.322 121.954 120.570 0.103 0.000 2.692 62 I HA 0.264 4.438 4.170 0.008 0.000 0.284 62 I C 1.450 177.618 176.117 0.086 0.000 1.159 62 I CA 0.746 62.094 61.300 0.081 0.000 1.423 62 I CB 0.197 38.216 38.000 0.031 0.000 1.380 62 I HN 0.715 nan 8.210 nan 0.000 0.580 63 G N 5.438 114.284 108.800 0.076 0.000 2.677 63 G HA2 -0.346 3.618 3.960 0.008 0.000 0.321 63 G HA3 -0.346 3.618 3.960 0.008 0.000 0.321 63 G C 0.329 175.280 174.900 0.085 0.000 1.181 63 G CA 0.723 45.861 45.100 0.063 0.000 0.965 63 G HN 0.673 nan 8.290 nan 0.000 0.548 64 E N 0.565 120.823 120.200 0.097 0.000 3.083 64 E HA 0.376 4.731 4.350 0.008 0.000 0.168 64 E C -0.508 176.198 176.600 0.177 0.000 0.934 64 E CA -0.029 56.442 56.400 0.118 0.000 1.361 64 E CB 0.940 30.675 29.700 0.057 0.000 1.032 64 E HN 0.563 nan 8.360 nan 0.000 0.447 65 K N 0.696 121.211 120.400 0.192 0.000 2.553 65 K HA 0.403 4.727 4.320 0.008 0.000 0.250 65 K C -0.673 175.936 176.600 0.016 0.000 0.953 65 K CA -0.927 55.450 56.287 0.151 0.000 0.800 65 K CB 2.680 35.216 32.500 0.059 0.000 1.243 65 K HN -0.067 nan 8.250 nan 0.000 0.435 66 R N 2.961 123.362 120.500 -0.164 0.000 2.523 66 R HA -0.041 4.304 4.340 0.008 0.000 0.281 66 R C 0.112 176.244 176.300 -0.280 0.000 0.969 66 R CA 0.984 56.731 56.100 -0.588 0.000 1.093 66 R CB 0.358 30.325 30.300 -0.557 0.000 0.917 66 R HN 0.683 nan 8.270 nan 0.000 0.408 67 M N 3.766 123.205 119.600 -0.269 0.000 2.511 67 M HA 0.054 4.538 4.480 0.008 0.000 0.387 67 M C 0.442 176.662 176.300 -0.134 0.000 1.112 67 M CA -0.096 55.115 55.300 -0.148 0.000 0.921 67 M CB 0.513 33.056 32.600 -0.095 0.000 1.501 67 M HN 0.669 nan 8.290 nan 0.000 0.538 68 N N 1.538 120.135 118.700 -0.170 0.000 2.258 68 N HA -0.157 4.588 4.740 0.008 0.000 0.187 68 N C 0.409 175.861 175.510 -0.096 0.000 1.012 68 N CA 1.214 54.185 53.050 -0.132 0.000 0.870 68 N CB 0.117 38.518 38.487 -0.142 0.000 0.977 68 N HN 0.463 nan 8.380 nan 0.000 0.434 69 D N 0.013 120.359 120.400 -0.089 0.000 2.433 69 D HA 0.054 4.698 4.640 0.008 0.000 0.211 69 D C 0.089 176.358 176.300 -0.052 0.000 1.114 69 D CA 0.185 54.146 54.000 -0.065 0.000 0.837 69 D CB 0.468 41.233 40.800 -0.060 0.000 0.984 69 D HN 0.027 nan 8.370 nan 0.000 0.505 70 T N 2.740 117.260 114.554 -0.056 0.000 2.918 70 T HA 0.219 4.574 4.350 0.008 0.000 0.302 70 T C -2.331 172.349 174.700 -0.033 0.000 1.045 70 T CA -0.931 61.143 62.100 -0.043 0.000 1.114 70 T CB 1.365 70.206 68.868 -0.045 0.000 0.965 70 T HN -0.109 nan 8.240 nan 0.000 0.540 71 P HA 0.138 nan 4.420 nan 0.000 0.271 71 P C -1.552 175.740 177.300 -0.013 0.000 1.218 71 P CA -1.469 61.622 63.100 -0.015 0.000 0.780 71 P CB 0.271 31.965 31.700 -0.010 0.000 0.901 72 P HA -0.267 nan 4.420 nan 0.000 0.214 72 P C 1.004 178.302 177.300 -0.003 0.000 1.163 72 P CA 1.893 64.994 63.100 0.002 0.000 0.889 72 P CB -0.406 31.307 31.700 0.021 0.000 0.790 73 A N 0.379 123.199 122.820 -0.000 0.000 2.186 73 A HA -0.159 4.165 4.320 0.008 0.000 0.219 73 A C 1.256 178.825 177.584 -0.024 0.000 1.159 73 A CA 1.168 53.199 52.037 -0.011 0.000 0.680 73 A CB -1.124 17.873 19.000 -0.004 0.000 0.787 73 A HN 0.536 nan 8.150 nan 0.000 0.467 74 E N -1.457 118.730 120.200 -0.022 0.000 3.896 74 E HA 0.405 4.760 4.350 0.008 0.000 0.217 74 E C 0.194 176.777 176.600 -0.027 0.000 1.150 74 E CA -0.505 55.879 56.400 -0.027 0.000 1.338 74 E CB 0.367 30.054 29.700 -0.023 0.000 1.242 74 E HN 0.427 nan 8.360 nan 0.000 0.435 75 R N 0.020 120.502 120.500 -0.031 0.000 2.453 75 R HA 0.216 4.561 4.340 0.008 0.000 0.233 75 R C 0.967 177.247 176.300 -0.032 0.000 0.895 75 R CA 0.438 56.521 56.100 -0.028 0.000 1.028 75 R CB 1.181 31.466 30.300 -0.026 0.000 1.255 75 R HN 0.447 nan 8.270 nan 0.000 0.571 76 G N 1.240 110.012 108.800 -0.046 0.000 2.159 76 G HA2 -0.215 3.750 3.960 0.008 0.000 0.227 76 G HA3 -0.215 3.750 3.960 0.008 0.000 0.227 76 G C -0.057 174.790 174.900 -0.088 0.000 0.986 76 G CA -0.124 44.939 45.100 -0.062 0.000 0.651 76 G HN 0.083 nan 8.290 nan 0.000 0.523 77 V N 0.831 120.699 119.914 -0.077 0.000 2.432 77 V HA 0.702 4.827 4.120 0.008 0.000 0.275 77 V C 0.931 176.955 176.094 -0.116 0.000 1.043 77 V CA 0.300 62.549 62.300 -0.086 0.000 0.925 77 V CB 1.629 33.426 31.823 -0.042 0.000 0.985 77 V HN 0.836 nan 8.190 nan 0.000 0.466 78 G N 4.951 113.646 108.800 -0.175 0.000 2.588 78 G HA2 0.593 4.558 3.960 0.008 0.000 0.312 78 G HA3 0.593 4.558 3.960 0.008 0.000 0.312 78 G C -0.729 174.099 174.900 -0.120 0.000 1.257 78 G CA -0.481 44.506 45.100 -0.188 0.000 0.994 78 G HN 0.619 nan 8.290 nan 0.000 0.498 79 M N 3.159 122.698 119.600 -0.102 0.000 2.537 79 M HA 0.740 5.225 4.480 0.008 0.000 0.324 79 M C -1.247 174.909 176.300 -0.241 0.000 1.187 79 M CA -1.003 54.233 55.300 -0.106 0.000 0.993 79 M CB 2.396 34.966 32.600 -0.051 0.000 1.666 79 M HN 0.329 nan 8.290 nan 0.000 0.461 80 V N 6.343 126.118 119.914 -0.232 0.000 2.509 80 V HA 0.489 4.613 4.120 0.008 0.000 0.289 80 V C -1.524 174.434 176.094 -0.226 0.000 1.026 80 V CA -0.477 61.636 62.300 -0.311 0.000 0.872 80 V CB 0.969 32.735 31.823 -0.096 0.000 1.017 80 V HN 0.877 nan 8.190 nan 0.000 0.436 81 F N 4.518 124.466 119.950 -0.002 0.000 2.656 81 F HA 0.642 5.171 4.527 0.005 0.000 0.394 81 F C 1.473 177.216 175.800 -0.095 0.000 1.168 81 F CA -0.685 57.283 58.000 -0.053 0.000 1.135 81 F CB 0.309 39.272 39.000 -0.061 0.000 1.480 81 F HN 0.411 nan 8.300 nan 0.000 0.500 82 Q N -0.188 119.734 119.800 0.203 0.000 2.123 82 Q HA -0.040 4.305 4.340 0.008 0.000 0.199 82 Q C 1.720 177.498 176.000 -0.369 0.000 0.966 82 Q CA 1.717 57.426 55.803 -0.157 0.000 0.845 82 Q CB -1.060 27.583 28.738 -0.158 0.000 0.907 82 Q HN 0.703 nan 8.270 nan 0.000 0.439 83 S N 0.164 115.850 115.700 -0.024 0.000 2.462 83 S HA -0.093 4.382 4.470 0.008 0.000 0.243 83 S C -0.400 174.278 174.600 0.130 0.000 1.003 83 S CA 0.794 58.970 58.200 -0.041 0.000 0.970 83 S CB -0.438 62.687 63.200 -0.126 0.000 0.762 83 S HN 0.359 nan 8.310 nan 0.000 0.510 84 Y N -1.321 119.157 120.300 0.296 0.000 2.926 84 Y HA -0.268 4.285 4.550 0.005 0.000 0.463 84 Y C 0.700 176.617 175.900 0.027 0.000 1.225 84 Y CA -0.314 57.836 58.100 0.083 0.000 2.393 84 Y CB -1.554 36.923 38.460 0.027 0.000 1.300 84 Y HN 0.089 nan 8.280 nan 0.000 0.633 85 A N -0.979 121.914 122.820 0.122 0.000 2.441 85 A HA 0.430 4.755 4.320 0.008 0.000 0.209 85 A C -0.987 176.438 177.584 -0.266 0.000 1.645 85 A CA -0.393 51.571 52.037 -0.121 0.000 1.362 85 A CB -0.519 18.409 19.000 -0.121 0.000 1.035 85 A HN 0.429 nan 8.150 nan 0.000 0.487 86 L N 1.806 122.932 121.223 -0.162 0.000 2.454 86 L HA 0.231 4.575 4.340 0.008 0.000 0.284 86 L C -0.445 176.324 176.870 -0.168 0.000 1.139 86 L CA -0.313 54.430 54.840 -0.161 0.000 0.911 86 L CB -0.504 41.462 42.059 -0.156 0.000 1.262 86 L HN 0.392 nan 8.230 nan 0.000 0.453 87 Y N 5.130 125.337 120.300 -0.155 0.000 2.713 87 Y HA 0.026 4.582 4.550 0.009 0.000 0.341 87 Y C -1.021 174.743 175.900 -0.227 0.000 1.167 87 Y CA -1.414 56.555 58.100 -0.220 0.000 1.503 87 Y CB 0.249 38.400 38.460 -0.514 0.000 1.199 87 Y HN 0.504 nan 8.280 nan 0.000 0.525 88 P HA -0.228 nan 4.420 nan 0.000 0.223 88 P C 0.943 178.264 177.300 0.034 0.000 1.144 88 P CA 1.689 64.808 63.100 0.032 0.000 0.783 88 P CB -0.014 31.724 31.700 0.064 0.000 0.771 89 H N -1.900 117.184 119.070 0.024 0.000 2.551 89 H HA 0.193 4.754 4.556 0.008 0.000 0.266 89 H C 0.484 175.795 175.328 -0.028 0.000 0.964 89 H CA -0.042 55.998 56.048 -0.013 0.000 1.180 89 H CB -0.466 29.273 29.762 -0.038 0.000 1.408 89 H HN 0.127 nan 8.280 nan 0.000 0.563 90 L N 2.432 123.398 121.223 -0.429 0.000 2.322 90 L HA 0.231 4.576 4.340 0.008 0.000 0.279 90 L C 0.726 177.515 176.870 -0.134 0.000 1.036 90 L CA -0.942 53.722 54.840 -0.293 0.000 0.807 90 L CB 1.911 43.742 42.059 -0.380 0.000 1.226 90 L HN 0.194 nan 8.230 nan 0.000 0.433 91 S N 1.222 116.874 115.700 -0.081 0.000 2.608 91 S HA 0.159 4.634 4.470 0.008 0.000 0.261 91 S C 1.166 175.734 174.600 -0.053 0.000 1.314 91 S CA -0.790 57.378 58.200 -0.054 0.000 0.992 91 S CB 1.315 64.494 63.200 -0.035 0.000 0.935 91 S HN 0.335 nan 8.310 nan 0.000 0.564 92 V N 1.747 121.629 119.914 -0.053 0.000 2.287 92 V HA -0.194 3.930 4.120 0.008 0.000 0.248 92 V C 3.013 179.089 176.094 -0.029 0.000 1.053 92 V CA 2.456 64.725 62.300 -0.052 0.000 1.027 92 V CB -1.839 29.942 31.823 -0.070 0.000 0.646 92 V HN 1.009 nan 8.190 nan 0.000 0.447 93 A N -0.758 122.048 122.820 -0.023 0.000 1.972 93 A HA -0.234 4.090 4.320 0.008 0.000 0.219 93 A C 2.176 179.766 177.584 0.010 0.000 1.169 93 A CA 1.795 53.829 52.037 -0.005 0.000 0.635 93 A CB -0.457 18.540 19.000 -0.005 0.000 0.810 93 A HN 0.627 nan 8.150 nan 0.000 0.446 94 E N 0.255 120.455 120.200 0.000 0.000 2.110 94 E HA -0.107 4.248 4.350 0.008 0.000 0.193 94 E C 0.237 176.866 176.600 0.049 0.000 0.988 94 E CA 0.457 56.863 56.400 0.011 0.000 0.804 94 E CB -0.084 29.599 29.700 -0.030 0.000 0.745 94 E HN 0.551 nan 8.360 nan 0.000 0.458 95 N N -0.235 118.484 118.700 0.031 0.000 2.381 95 N HA 0.057 4.802 4.740 0.008 0.000 0.254 95 N C 0.810 176.371 175.510 0.084 0.000 1.264 95 N CA 0.382 53.483 53.050 0.085 0.000 0.942 95 N CB 0.783 39.288 38.487 0.031 0.000 1.190 95 N HN 0.064 nan 8.380 nan 0.000 0.495 96 M N -1.873 117.789 119.600 0.104 0.000 2.912 96 M HA -0.317 4.167 4.480 0.008 0.000 0.183 96 M C 0.983 177.327 176.300 0.073 0.000 0.641 96 M CA 1.716 57.059 55.300 0.071 0.000 0.699 96 M CB -1.470 31.154 32.600 0.040 0.000 2.519 96 M HN 0.645 nan 8.290 nan 0.000 0.278 97 S N -0.513 115.244 115.700 0.096 0.000 2.545 97 S HA 0.125 4.600 4.470 0.008 0.000 0.232 97 S C 1.112 175.773 174.600 0.101 0.000 1.070 97 S CA 0.308 58.554 58.200 0.076 0.000 0.923 97 S CB -0.398 62.842 63.200 0.065 0.000 0.806 97 S HN 0.469 nan 8.310 nan 0.000 0.506 98 F N 4.030 123.993 119.950 0.020 0.000 2.147 98 F HA -0.037 4.494 4.527 0.007 0.000 0.301 98 F C 2.151 177.973 175.800 0.037 0.000 1.084 98 F CA 1.137 59.154 58.000 0.028 0.000 1.268 98 F CB -1.047 37.997 39.000 0.072 0.000 1.009 98 F HN 0.281 nan 8.300 nan 0.000 0.486 99 G N 0.589 109.346 108.800 -0.071 0.000 2.446 99 G HA2 -0.230 3.734 3.960 0.008 0.000 0.217 99 G HA3 -0.230 3.734 3.960 0.008 0.000 0.217 99 G C 1.285 176.069 174.900 -0.193 0.000 1.168 99 G CA 0.720 45.718 45.100 -0.169 0.000 0.771 99 G HN 0.370 nan 8.290 nan 0.000 0.551 100 L N 1.853 123.011 121.223 -0.109 0.000 2.919 100 L HA 0.144 4.488 4.340 0.008 0.000 0.242 100 L C 2.051 178.857 176.870 -0.107 0.000 1.366 100 L CA -0.342 54.444 54.840 -0.090 0.000 1.212 100 L CB -0.092 41.942 42.059 -0.041 0.000 1.604 100 L HN 0.462 nan 8.230 nan 0.000 0.433 101 K N -0.039 120.245 120.400 -0.195 0.000 2.005 101 K HA -0.059 4.266 4.320 0.008 0.000 0.214 101 K C 1.588 178.119 176.600 -0.115 0.000 1.030 101 K CA 0.654 56.831 56.287 -0.184 0.000 0.955 101 K CB -0.255 32.028 32.500 -0.362 0.000 0.767 101 K HN 0.189 nan 8.250 nan 0.000 0.446 102 L N 1.258 122.405 121.223 -0.126 0.000 2.465 102 L HA 0.023 4.368 4.340 0.008 0.000 0.224 102 L C 2.351 179.182 176.870 -0.065 0.000 1.145 102 L CA 0.314 55.106 54.840 -0.080 0.000 0.834 102 L CB -0.382 41.632 42.059 -0.075 0.000 0.944 102 L HN 0.473 nan 8.230 nan 0.000 0.451 103 A N 0.000 122.776 122.820 -0.074 0.000 2.259 103 A HA 0.006 4.331 4.320 0.008 0.000 0.212 103 A C 1.944 179.505 177.584 -0.040 0.000 1.178 103 A CA 0.928 52.931 52.037 -0.056 0.000 0.734 103 A CB -0.850 18.115 19.000 -0.060 0.000 0.774 103 A HN 0.556 nan 8.150 nan 0.000 0.481 104 G N -1.823 106.955 108.800 -0.037 0.000 2.186 104 G HA2 -0.039 3.926 3.960 0.008 0.000 0.266 104 G HA3 -0.039 3.926 3.960 0.008 0.000 0.266 104 G C 0.591 175.479 174.900 -0.020 0.000 0.982 104 G CA 0.660 45.745 45.100 -0.025 0.000 0.670 104 G HN 1.797 nan 8.290 nan 0.000 0.533 105 A N -0.575 122.231 122.820 -0.023 0.000 2.561 105 A HA 0.500 4.824 4.320 0.008 0.000 0.234 105 A C 0.596 178.175 177.584 -0.009 0.000 1.055 105 A CA 1.570 53.597 52.037 -0.015 0.000 0.756 105 A CB 0.377 19.367 19.000 -0.017 0.000 0.986 105 A HN 0.897 nan 8.150 nan 0.000 0.505 106 K N 1.132 121.529 120.400 -0.004 0.000 2.203 106 K HA 0.409 4.733 4.320 0.008 0.000 0.251 106 K C 0.713 177.315 176.600 0.003 0.000 0.944 106 K CA -0.471 55.816 56.287 -0.001 0.000 0.829 106 K CB 1.178 33.678 32.500 -0.001 0.000 1.125 106 K HN 0.553 nan 8.250 nan 0.000 0.430 107 K N 1.133 121.536 120.400 0.005 0.000 2.304 107 K HA -0.261 4.064 4.320 0.008 0.000 0.204 107 K C 0.820 177.424 176.600 0.007 0.000 1.044 107 K CA 1.925 58.216 56.287 0.007 0.000 0.932 107 K CB 0.066 32.571 32.500 0.008 0.000 0.735 107 K HN 0.522 nan 8.250 nan 0.000 0.468 108 E N 0.182 120.386 120.200 0.006 0.000 2.028 108 E HA -0.120 4.235 4.350 0.008 0.000 0.190 108 E C 1.961 178.565 176.600 0.007 0.000 0.984 108 E CA 0.935 57.339 56.400 0.006 0.000 0.800 108 E CB -0.200 29.503 29.700 0.005 0.000 0.758 108 E HN 0.105 nan 8.360 nan 0.000 0.448 109 V N 0.369 120.286 119.914 0.005 0.000 2.346 109 V HA 0.028 4.152 4.120 0.008 0.000 0.244 109 V C 1.287 177.386 176.094 0.008 0.000 1.037 109 V CA 0.705 63.009 62.300 0.006 0.000 1.029 109 V CB 0.036 31.861 31.823 0.004 0.000 0.663 109 V HN 0.193 nan 8.190 nan 0.000 0.454 110 I N -0.113 120.461 120.570 0.007 0.000 3.394 110 I HA 0.128 4.303 4.170 0.008 0.000 0.264 110 I C 1.691 177.816 176.117 0.012 0.000 1.184 110 I CA 0.877 62.183 61.300 0.010 0.000 0.890 110 I CB 0.541 38.546 38.000 0.008 0.000 1.619 110 I HN 0.642 nan 8.210 nan 0.000 0.820 111 N N 0.178 118.887 118.700 0.015 0.000 2.886 111 N HA -0.351 4.394 4.740 0.008 0.000 0.223 111 N C 1.052 176.571 175.510 0.016 0.000 0.828 111 N CA 2.125 55.184 53.050 0.016 0.000 1.180 111 N CB -0.899 37.596 38.487 0.013 0.000 0.972 111 N HN 0.744 nan 8.380 nan 0.000 0.616 112 Q N 0.872 120.681 119.800 0.015 0.000 2.084 112 Q HA 0.012 4.356 4.340 0.008 0.000 0.194 112 Q C 1.992 178.003 176.000 0.019 0.000 0.969 112 Q CA 1.867 57.679 55.803 0.016 0.000 0.829 112 Q CB -0.170 28.576 28.738 0.014 0.000 0.904 112 Q HN 0.791 nan 8.270 nan 0.000 0.464 113 R N -0.243 120.270 120.500 0.021 0.000 2.235 113 R HA 0.032 4.376 4.340 0.008 0.000 0.213 113 R C 1.879 178.196 176.300 0.028 0.000 1.059 113 R CA 1.071 57.187 56.100 0.026 0.000 0.997 113 R CB -0.383 29.934 30.300 0.028 0.000 0.884 113 R HN 0.030 nan 8.270 nan 0.000 0.462 114 V N 1.502 121.431 119.914 0.025 0.000 2.719 114 V HA -0.122 4.003 4.120 0.008 0.000 0.252 114 V C 1.708 177.816 176.094 0.023 0.000 1.065 114 V CA 1.396 63.711 62.300 0.025 0.000 1.086 114 V CB -0.528 31.309 31.823 0.023 0.000 0.700 114 V HN 0.415 nan 8.190 nan 0.000 0.467 115 N N 0.986 119.699 118.700 0.022 0.000 2.220 115 N HA -0.125 4.620 4.740 0.008 0.000 0.182 115 N C 2.028 177.552 175.510 0.024 0.000 1.023 115 N CA 1.474 54.536 53.050 0.021 0.000 0.856 115 N CB -0.105 38.394 38.487 0.019 0.000 0.997 115 N HN 0.734 nan 8.380 nan 0.000 0.429 116 Q N 0.382 120.197 119.800 0.024 0.000 2.291 116 Q HA 0.028 4.373 4.340 0.008 0.000 0.205 116 Q C 1.666 177.684 176.000 0.029 0.000 0.970 116 Q CA 1.207 57.026 55.803 0.026 0.000 0.876 116 Q CB -0.414 28.339 28.738 0.025 0.000 0.935 116 Q HN 0.008 nan 8.270 nan 0.000 0.455 117 V N 0.678 120.610 119.914 0.031 0.000 2.535 117 V HA 0.019 4.143 4.120 0.008 0.000 0.246 117 V C 2.261 178.375 176.094 0.032 0.000 1.045 117 V CA 1.272 63.593 62.300 0.035 0.000 1.058 117 V CB -0.637 31.210 31.823 0.041 0.000 0.689 117 V HN 0.555 nan 8.190 nan 0.000 0.461 118 A N -0.688 122.149 122.820 0.028 0.000 2.172 118 A HA -0.181 4.143 4.320 0.008 0.000 0.216 118 A C 2.166 179.772 177.584 0.037 0.000 1.154 118 A CA 1.604 53.656 52.037 0.025 0.000 0.701 118 A CB -0.299 18.711 19.000 0.017 0.000 0.789 118 A HN 0.628 nan 8.150 nan 0.000 0.465 119 E N 0.216 120.438 120.200 0.036 0.000 2.024 119 E HA -0.108 4.246 4.350 0.008 0.000 0.190 119 E C 2.125 178.748 176.600 0.038 0.000 0.974 119 E CA 1.522 57.945 56.400 0.038 0.000 0.810 119 E CB -0.166 29.552 29.700 0.031 0.000 0.775 119 E HN 0.459 nan 8.360 nan 0.000 0.453 120 V N 0.300 120.234 119.914 0.034 0.000 2.332 120 V HA -0.219 3.905 4.120 0.008 0.000 0.248 120 V C 2.330 178.446 176.094 0.037 0.000 1.055 120 V CA 1.540 63.859 62.300 0.032 0.000 1.038 120 V CB -0.899 30.942 31.823 0.031 0.000 0.651 120 V HN 0.226 nan 8.190 nan 0.000 0.450 121 L N -0.123 121.123 121.223 0.039 0.000 2.610 121 L HA 0.093 4.438 4.340 0.008 0.000 0.232 121 L C 1.367 178.267 176.870 0.049 0.000 1.149 121 L CA 0.704 55.568 54.840 0.040 0.000 0.872 121 L CB -0.968 41.111 42.059 0.034 0.000 0.992 121 L HN 0.527 nan 8.230 nan 0.000 0.447 122 Q N -0.309 119.526 119.800 0.059 0.000 2.463 122 Q HA -0.201 4.144 4.340 0.008 0.000 0.299 122 Q C 0.244 176.329 176.000 0.142 0.000 1.353 122 Q CA 0.112 55.971 55.803 0.092 0.000 0.828 122 Q CB -0.780 28.007 28.738 0.081 0.000 1.157 122 Q HN 0.312 nan 8.270 nan 0.000 0.436 123 L N -2.131 119.142 121.223 0.084 0.000 2.858 123 L HA 0.263 4.607 4.340 0.008 0.000 0.251 123 L C 2.086 178.946 176.870 -0.017 0.000 1.149 123 L CA 1.164 55.999 54.840 -0.008 0.000 0.955 123 L CB -0.762 41.268 42.059 -0.048 0.000 1.289 123 L HN 0.380 nan 8.230 nan 0.000 0.542 124 A N 0.754 123.629 122.820 0.092 0.000 1.971 124 A HA -0.251 4.073 4.320 0.008 0.000 0.222 124 A C 1.831 179.466 177.584 0.085 0.000 1.182 124 A CA 2.212 54.298 52.037 0.081 0.000 0.649 124 A CB -0.881 18.176 19.000 0.095 0.000 0.818 124 A HN 0.685 nan 8.150 nan 0.000 0.458 125 H N -1.540 117.531 119.070 0.001 0.000 2.547 125 H HA 0.390 4.950 4.556 0.006 0.000 0.274 125 H C 0.715 176.042 175.328 -0.002 0.000 1.024 125 H CA 0.469 56.517 56.048 0.000 0.000 1.155 125 H CB -0.430 29.333 29.762 0.000 0.000 1.344 125 H HN 0.474 nan 8.280 nan 0.000 0.598 126 L N 0.261 121.280 121.223 -0.341 0.000 3.259 126 L HA 0.072 4.417 4.340 0.008 0.000 0.292 126 L C 1.121 177.903 176.870 -0.145 0.000 1.219 126 L CA -0.204 54.456 54.840 -0.300 0.000 1.035 126 L CB 0.442 42.248 42.059 -0.421 0.000 1.424 126 L HN 0.031 nan 8.230 nan 0.000 0.603 127 L N 0.586 121.755 121.223 -0.090 0.000 1.990 127 L HA -0.244 4.101 4.340 0.008 0.000 0.213 127 L C 1.670 178.513 176.870 -0.045 0.000 1.072 127 L CA 1.880 56.689 54.840 -0.052 0.000 0.755 127 L CB -0.595 41.449 42.059 -0.024 0.000 0.889 127 L HN 0.270 nan 8.230 nan 0.000 0.432 128 D N -0.605 119.773 120.400 -0.037 0.000 2.358 128 D HA -0.039 4.606 4.640 0.008 0.000 0.241 128 D C 1.018 177.297 176.300 -0.035 0.000 1.094 128 D CA 0.225 54.208 54.000 -0.028 0.000 0.907 128 D CB 0.057 40.847 40.800 -0.016 0.000 0.893 128 D HN 0.170 nan 8.370 nan 0.000 0.528 129 R N 0.755 121.223 120.500 -0.053 0.000 2.541 129 R HA 0.412 4.756 4.340 0.008 0.000 0.263 129 R C 0.436 176.705 176.300 -0.051 0.000 1.112 129 R CA -0.204 55.862 56.100 -0.055 0.000 1.170 129 R CB 1.045 31.297 30.300 -0.081 0.000 1.167 129 R HN -0.082 nan 8.270 nan 0.000 0.582 130 K N 0.813 121.185 120.400 -0.047 0.000 2.378 130 K HA 0.264 4.588 4.320 0.008 0.000 0.252 130 K C -1.862 174.708 176.600 -0.051 0.000 0.931 130 K CA -1.850 54.410 56.287 -0.045 0.000 0.794 130 K CB 2.088 34.571 32.500 -0.028 0.000 1.181 130 K HN 0.134 nan 8.250 nan 0.000 0.425 131 P HA -0.334 nan 4.420 nan 0.000 0.222 131 P C 0.925 178.197 177.300 -0.047 0.000 1.157 131 P CA 1.595 64.653 63.100 -0.070 0.000 0.905 131 P CB 0.274 31.932 31.700 -0.070 0.000 0.792 132 K N -0.507 119.877 120.400 -0.026 0.000 2.113 132 K HA -0.133 4.192 4.320 0.008 0.000 0.208 132 K C 1.176 177.767 176.600 -0.015 0.000 1.047 132 K CA 1.559 57.839 56.287 -0.012 0.000 0.928 132 K CB -0.428 32.071 32.500 -0.002 0.000 0.716 132 K HN 0.045 nan 8.250 nan 0.000 0.446 133 A N 1.459 124.266 122.820 -0.022 0.000 2.988 133 A HA 0.331 4.655 4.320 0.008 0.000 0.288 133 A C -0.178 177.388 177.584 -0.030 0.000 1.385 133 A CA -0.385 51.640 52.037 -0.020 0.000 1.001 133 A CB -0.157 18.832 19.000 -0.018 0.000 1.071 133 A HN 0.180 nan 8.150 nan 0.000 0.608 134 L N -1.024 120.177 121.223 -0.035 0.000 2.170 134 L HA 0.619 4.964 4.340 0.008 0.000 0.247 134 L C 0.284 177.137 176.870 -0.029 0.000 1.078 134 L CA -0.864 53.950 54.840 -0.044 0.000 0.936 134 L CB 2.125 44.138 42.059 -0.076 0.000 1.528 134 L HN 0.333 nan 8.230 nan 0.000 0.455 135 S N -1.684 113.999 115.700 -0.028 0.000 2.677 135 S HA 0.506 4.981 4.470 0.008 0.000 0.304 135 S C 0.611 175.206 174.600 -0.009 0.000 1.108 135 S CA -0.164 58.033 58.200 -0.006 0.000 0.944 135 S CB 1.433 64.639 63.200 0.010 0.000 1.127 135 S HN 0.801 nan 8.310 nan 0.000 0.511 136 G N 1.181 110.001 108.800 0.032 0.000 2.672 136 G HA2 -0.162 3.802 3.960 0.008 0.000 0.218 136 G HA3 -0.162 3.802 3.960 0.008 0.000 0.218 136 G C 1.429 176.359 174.900 0.050 0.000 1.238 136 G CA 1.081 46.227 45.100 0.077 0.000 0.791 136 G HN 1.203 nan 8.290 nan 0.000 0.606 137 G N -0.069 108.762 108.800 0.052 0.000 2.503 137 G HA2 -0.229 3.735 3.960 0.008 0.000 0.221 137 G HA3 -0.229 3.735 3.960 0.008 0.000 0.221 137 G C 1.873 176.776 174.900 0.006 0.000 1.131 137 G CA 1.427 46.553 45.100 0.044 0.000 0.756 137 G HN 0.569 nan 8.290 nan 0.000 0.572 138 Q N -0.363 119.425 119.800 -0.019 0.000 2.016 138 Q HA 0.013 4.358 4.340 0.008 0.000 0.200 138 Q C 2.863 178.796 176.000 -0.112 0.000 0.978 138 Q CA 0.812 56.586 55.803 -0.048 0.000 0.833 138 Q CB -0.189 28.520 28.738 -0.049 0.000 0.895 138 Q HN 0.371 nan 8.270 nan 0.000 0.427 139 R N 0.714 121.106 120.500 -0.180 0.000 2.103 139 R HA -0.226 4.119 4.340 0.008 0.000 0.242 139 R C 2.315 178.343 176.300 -0.453 0.000 1.142 139 R CA 1.651 57.541 56.100 -0.350 0.000 0.960 139 R CB -0.255 29.746 30.300 -0.498 0.000 0.858 139 R HN 0.362 nan 8.270 nan 0.000 0.439 140 Q N 0.356 119.955 119.800 -0.335 0.000 2.170 140 Q HA -0.165 4.180 4.340 0.008 0.000 0.203 140 Q C 1.927 177.913 176.000 -0.023 0.000 0.976 140 Q CA 1.378 57.124 55.803 -0.095 0.000 0.858 140 Q CB 0.154 29.005 28.738 0.188 0.000 0.907 140 Q HN 0.212 nan 8.270 nan 0.000 0.433 141 R N -0.960 119.519 120.500 -0.034 0.000 2.090 141 R HA -0.064 4.281 4.340 0.008 0.000 0.228 141 R C 2.255 178.540 176.300 -0.024 0.000 1.110 141 R CA 1.094 57.191 56.100 -0.004 0.000 0.973 141 R CB -0.131 30.172 30.300 0.005 0.000 0.869 141 R HN 0.092 nan 8.270 nan 0.000 0.440 142 V N 0.931 120.802 119.914 -0.071 0.000 2.287 142 V HA -0.302 3.823 4.120 0.008 0.000 0.248 142 V C 2.357 178.419 176.094 -0.052 0.000 1.053 142 V CA 2.093 64.351 62.300 -0.070 0.000 1.027 142 V CB -0.860 30.895 31.823 -0.113 0.000 0.646 142 V HN 0.454 nan 8.190 nan 0.000 0.447 143 A N -0.086 122.684 122.820 -0.082 0.000 1.917 143 A HA -0.229 4.096 4.320 0.008 0.000 0.219 143 A C 2.177 179.765 177.584 0.006 0.000 1.182 143 A CA 2.249 54.266 52.037 -0.032 0.000 0.633 143 A CB -0.633 18.384 19.000 0.028 0.000 0.819 143 A HN 0.543 nan 8.150 nan 0.000 0.448 144 I N -0.437 120.148 120.570 0.024 0.000 2.286 144 I HA -0.198 3.977 4.170 0.008 0.000 0.248 144 I C 2.693 178.843 176.117 0.056 0.000 1.115 144 I CA 0.991 62.321 61.300 0.049 0.000 1.392 144 I CB -0.771 37.263 38.000 0.056 0.000 1.065 144 I HN 0.413 nan 8.210 nan 0.000 0.418 145 G N 1.067 109.888 108.800 0.036 0.000 2.469 145 G HA2 -0.310 3.655 3.960 0.008 0.000 0.219 145 G HA3 -0.310 3.655 3.960 0.008 0.000 0.219 145 G C 1.752 176.682 174.900 0.050 0.000 1.150 145 G CA 0.951 46.075 45.100 0.040 0.000 0.763 145 G HN 0.324 nan 8.290 nan 0.000 0.561 146 R N -0.146 120.380 120.500 0.043 0.000 2.088 146 R HA -0.106 4.239 4.340 0.008 0.000 0.232 146 R C 2.598 178.926 176.300 0.048 0.000 1.136 146 R CA 2.199 58.330 56.100 0.051 0.000 0.926 146 R CB -0.960 29.374 30.300 0.057 0.000 0.837 146 R HN 0.283 nan 8.270 nan 0.000 0.429 147 T N 1.869 116.452 114.554 0.049 0.000 2.803 147 T HA -0.123 4.231 4.350 0.008 0.000 0.269 147 T C 1.826 176.627 174.700 0.168 0.000 1.052 147 T CA 1.422 63.561 62.100 0.065 0.000 1.136 147 T CB -0.122 68.800 68.868 0.090 0.000 0.864 147 T HN 0.189 nan 8.240 nan 0.000 0.467 148 L N 0.490 121.828 121.223 0.193 0.000 1.988 148 L HA -0.071 4.274 4.340 0.008 0.000 0.207 148 L C 2.692 179.655 176.870 0.156 0.000 1.071 148 L CA 1.011 55.992 54.840 0.236 0.000 0.744 148 L CB -0.753 41.390 42.059 0.140 0.000 0.893 148 L HN 0.125 nan 8.230 nan 0.000 0.433 149 V N 0.374 120.343 119.914 0.091 0.000 2.380 149 V HA -0.325 3.799 4.120 0.008 0.000 0.251 149 V C 2.597 178.713 176.094 0.037 0.000 1.063 149 V CA 1.869 64.204 62.300 0.059 0.000 1.055 149 V CB -0.961 30.888 31.823 0.043 0.000 0.657 149 V HN 0.518 nan 8.190 nan 0.000 0.455 150 A N -1.120 121.711 122.820 0.018 0.000 2.167 150 A HA -0.063 4.262 4.320 0.008 0.000 0.214 150 A C 0.960 178.512 177.584 -0.054 0.000 1.151 150 A CA 0.387 52.405 52.037 -0.032 0.000 0.735 150 A CB -0.435 18.526 19.000 -0.066 0.000 0.802 150 A HN 0.687 nan 8.150 nan 0.000 0.467 151 E N -0.519 119.678 120.200 -0.007 0.000 2.131 151 E HA -0.186 4.169 4.350 0.008 0.000 0.166 151 E C -2.082 174.405 176.600 -0.189 0.000 1.514 151 E CA 0.125 56.522 56.400 -0.006 0.000 0.646 151 E CB -1.569 28.171 29.700 0.068 0.000 1.051 151 E HN 0.478 nan 8.360 nan 0.000 0.315 152 P HA -0.070 nan 4.420 nan 0.000 0.280 152 P C 0.953 178.047 177.300 -0.344 0.000 1.278 152 P CA 0.108 62.960 63.100 -0.414 0.000 0.787 152 P CB 0.500 31.870 31.700 -0.549 0.000 1.163 153 S N -2.292 113.273 115.700 -0.223 0.000 2.503 153 S HA 0.153 4.627 4.470 0.008 0.000 0.215 153 S C 0.340 174.890 174.600 -0.083 0.000 1.003 153 S CA 0.121 58.258 58.200 -0.106 0.000 0.910 153 S CB -0.137 63.029 63.200 -0.057 0.000 0.790 153 S HN 0.155 nan 8.310 nan 0.000 0.514 154 V N 2.195 122.008 119.914 -0.169 0.000 2.569 154 V HA 0.501 4.625 4.120 0.008 0.000 0.301 154 V C -1.467 174.527 176.094 -0.166 0.000 1.044 154 V CA -0.822 61.433 62.300 -0.074 0.000 0.874 154 V CB 1.369 33.179 31.823 -0.020 0.000 1.002 154 V HN 0.361 nan 8.190 nan 0.000 0.424 155 F N 4.925 124.867 119.950 -0.013 0.000 2.404 155 F HA 0.621 5.154 4.527 0.010 0.000 0.339 155 F C 0.218 176.004 175.800 -0.023 0.000 1.105 155 F CA -0.567 57.419 58.000 -0.024 0.000 1.087 155 F CB 1.369 40.347 39.000 -0.036 0.000 1.143 155 F HN 0.183 nan 8.300 nan 0.000 0.491 156 L N 5.788 127.101 121.223 0.150 0.000 2.401 156 L HA 0.416 4.761 4.340 0.008 0.000 0.263 156 L C -1.161 175.744 176.870 0.058 0.000 1.004 156 L CA -0.372 54.517 54.840 0.082 0.000 0.881 156 L CB 0.999 43.080 42.059 0.037 0.000 1.219 156 L HN 0.476 nan 8.230 nan 0.000 0.441 157 L N 2.595 123.839 121.223 0.035 0.000 2.272 157 L HA 0.443 4.787 4.340 0.008 0.000 0.289 157 L C -0.244 176.512 176.870 -0.191 0.000 1.032 157 L CA -0.324 54.467 54.840 -0.082 0.000 0.810 157 L CB 1.788 43.773 42.059 -0.123 0.000 1.205 157 L HN 0.424 nan 8.230 nan 0.000 0.422 158 D N 4.358 124.683 120.400 -0.125 0.000 2.485 158 D HA 0.090 4.735 4.640 0.008 0.000 0.229 158 D C 0.217 176.435 176.300 -0.136 0.000 1.101 158 D CA -0.378 53.560 54.000 -0.105 0.000 0.906 158 D CB 0.772 41.587 40.800 0.025 0.000 1.019 158 D HN 0.592 nan 8.370 nan 0.000 0.516 159 E N 2.937 122.988 120.200 -0.249 0.000 2.210 159 E HA -0.169 4.185 4.350 0.008 0.000 0.201 159 E C -1.767 174.771 176.600 -0.104 0.000 1.339 159 E CA 0.358 56.658 56.400 -0.167 0.000 0.699 159 E CB -0.250 29.409 29.700 -0.069 0.000 1.126 159 E HN 0.388 nan 8.360 nan 0.000 0.355 160 P HA -0.102 nan 4.420 nan 0.000 0.233 160 P C 0.882 178.215 177.300 0.055 0.000 1.167 160 P CA 0.815 63.896 63.100 -0.032 0.000 0.770 160 P CB 0.214 31.880 31.700 -0.056 0.000 0.837 161 L N -0.516 120.752 121.223 0.075 0.000 2.808 161 L HA 0.154 4.498 4.340 0.008 0.000 0.246 161 L C 1.399 178.327 176.870 0.098 0.000 1.153 161 L CA -0.189 54.717 54.840 0.110 0.000 0.956 161 L CB -0.033 42.118 42.059 0.155 0.000 1.270 161 L HN -0.032 nan 8.230 nan 0.000 0.528 162 S N -0.946 114.806 115.700 0.087 0.000 2.617 162 S HA 0.065 4.539 4.470 0.008 0.000 0.255 162 S C 0.834 175.489 174.600 0.091 0.000 1.318 162 S CA 0.232 58.482 58.200 0.084 0.000 0.978 162 S CB 0.719 63.962 63.200 0.072 0.000 0.961 162 S HN 0.472 nan 8.310 nan 0.000 0.582 163 N N -1.705 117.045 118.700 0.083 0.000 2.863 163 N HA -0.135 4.610 4.740 0.008 0.000 0.245 163 N C -1.099 174.454 175.510 0.071 0.000 1.001 163 N CA 1.266 54.367 53.050 0.085 0.000 0.901 163 N CB -1.464 37.096 38.487 0.121 0.000 1.124 163 N HN 0.605 nan 8.380 nan 0.000 0.582 164 L N 0.606 121.868 121.223 0.066 0.000 2.342 164 L HA 0.415 4.760 4.340 0.008 0.000 0.271 164 L C 0.145 177.042 176.870 0.046 0.000 1.008 164 L CA -1.155 53.719 54.840 0.056 0.000 0.818 164 L CB 1.403 43.498 42.059 0.060 0.000 1.296 164 L HN 0.128 nan 8.230 nan 0.000 0.427 165 D N 0.939 121.362 120.400 0.038 0.000 2.378 165 D HA 0.165 4.810 4.640 0.008 0.000 0.238 165 D C 1.039 177.356 176.300 0.029 0.000 1.180 165 D CA 0.033 54.051 54.000 0.030 0.000 0.895 165 D CB 1.004 41.819 40.800 0.025 0.000 1.192 165 D HN 0.589 nan 8.370 nan 0.000 0.438 166 A N 1.636 124.470 122.820 0.023 0.000 1.917 166 A HA -0.117 4.208 4.320 0.008 0.000 0.219 166 A C 2.224 179.818 177.584 0.017 0.000 1.182 166 A CA 2.196 54.245 52.037 0.019 0.000 0.633 166 A CB -1.362 17.645 19.000 0.012 0.000 0.819 166 A HN 0.726 nan 8.150 nan 0.000 0.448 167 A N -0.592 122.237 122.820 0.014 0.000 1.855 167 A HA -0.013 4.312 4.320 0.008 0.000 0.215 167 A C 2.134 179.728 177.584 0.017 0.000 1.191 167 A CA 1.721 53.765 52.037 0.012 0.000 0.613 167 A CB -0.723 18.283 19.000 0.009 0.000 0.829 167 A HN 0.753 nan 8.150 nan 0.000 0.442 168 L N -0.087 121.150 121.223 0.022 0.000 2.083 168 L HA -0.103 4.241 4.340 0.008 0.000 0.209 168 L C 2.410 179.301 176.870 0.034 0.000 1.083 168 L CA 2.379 57.236 54.840 0.028 0.000 0.752 168 L CB -0.643 41.436 42.059 0.034 0.000 0.899 168 L HN 0.483 nan 8.230 nan 0.000 0.433 169 R N -1.287 119.235 120.500 0.037 0.000 2.081 169 R HA -0.112 4.233 4.340 0.008 0.000 0.235 169 R C 2.064 178.386 176.300 0.037 0.000 1.131 169 R CA 1.704 57.832 56.100 0.046 0.000 0.960 169 R CB -0.283 30.047 30.300 0.050 0.000 0.856 169 R HN 0.326 nan 8.270 nan 0.000 0.436 170 V N 1.116 121.043 119.914 0.022 0.000 2.407 170 V HA -0.247 3.878 4.120 0.008 0.000 0.248 170 V C 2.262 178.362 176.094 0.008 0.000 1.055 170 V CA 1.862 64.167 62.300 0.008 0.000 1.049 170 V CB -0.481 31.343 31.823 0.000 0.000 0.662 170 V HN 0.455 nan 8.190 nan 0.000 0.455 171 Q N -1.082 118.727 119.800 0.015 0.000 2.084 171 Q HA -0.196 4.148 4.340 0.008 0.000 0.202 171 Q C 2.350 178.364 176.000 0.023 0.000 0.978 171 Q CA 1.445 57.257 55.803 0.016 0.000 0.844 171 Q CB -0.228 28.521 28.738 0.018 0.000 0.898 171 Q HN 0.446 nan 8.270 nan 0.000 0.426 172 M N 0.207 119.828 119.600 0.035 0.000 2.159 172 M HA -0.128 4.357 4.480 0.008 0.000 0.263 172 M C 1.888 178.217 176.300 0.047 0.000 1.063 172 M CA 1.532 56.861 55.300 0.049 0.000 1.110 172 M CB -0.844 31.797 32.600 0.068 0.000 1.374 172 M HN 0.168 nan 8.290 nan 0.000 0.411 173 R N -0.034 120.485 120.500 0.032 0.000 2.120 173 R HA -0.072 4.273 4.340 0.008 0.000 0.234 173 R C 2.155 178.444 176.300 -0.017 0.000 1.123 173 R CA 1.166 57.265 56.100 -0.001 0.000 0.975 173 R CB -0.469 29.811 30.300 -0.032 0.000 0.866 173 R HN 0.374 nan 8.270 nan 0.000 0.446 174 I N 0.525 121.092 120.570 -0.006 0.000 2.286 174 I HA -0.186 3.989 4.170 0.008 0.000 0.245 174 I C 2.222 178.346 176.117 0.012 0.000 1.104 174 I CA 0.927 62.224 61.300 -0.006 0.000 1.397 174 I CB -0.185 37.813 38.000 -0.004 0.000 1.072 174 I HN 0.039 nan 8.210 nan 0.000 0.417 175 E N 1.176 121.389 120.200 0.021 0.000 2.017 175 E HA -0.186 4.169 4.350 0.008 0.000 0.193 175 E C 2.303 178.924 176.600 0.035 0.000 0.997 175 E CA 1.433 57.850 56.400 0.028 0.000 0.804 175 E CB -0.455 29.264 29.700 0.031 0.000 0.757 175 E HN 0.465 nan 8.360 nan 0.000 0.448 176 I N 0.939 121.538 120.570 0.048 0.000 2.248 176 I HA -0.296 3.878 4.170 0.008 0.000 0.248 176 I C 2.598 178.783 176.117 0.112 0.000 1.107 176 I CA 1.076 62.416 61.300 0.066 0.000 1.373 176 I CB -0.245 37.832 38.000 0.127 0.000 1.055 176 I HN 0.030 nan 8.210 nan 0.000 0.418 177 S N 0.287 116.037 115.700 0.083 0.000 2.368 177 S HA -0.120 4.354 4.470 0.008 0.000 0.224 177 S C 2.125 176.798 174.600 0.121 0.000 1.029 177 S CA 1.140 59.400 58.200 0.100 0.000 0.988 177 S CB -0.069 63.125 63.200 -0.010 0.000 0.838 177 S HN 0.328 nan 8.310 nan 0.000 0.462 178 R N 0.232 120.770 120.500 0.064 0.000 2.081 178 R HA -0.025 4.319 4.340 0.008 0.000 0.235 178 R C 2.328 178.654 176.300 0.044 0.000 1.131 178 R CA 1.440 57.568 56.100 0.046 0.000 0.960 178 R CB -0.550 29.767 30.300 0.027 0.000 0.856 178 R HN 0.374 nan 8.270 nan 0.000 0.436 179 L N 0.424 121.670 121.223 0.039 0.000 2.127 179 L HA -0.214 4.130 4.340 0.008 0.000 0.211 179 L C 2.303 179.181 176.870 0.014 0.000 1.089 179 L CA 1.793 56.637 54.840 0.006 0.000 0.757 179 L CB -0.477 41.549 42.059 -0.055 0.000 0.899 179 L HN 0.277 nan 8.230 nan 0.000 0.434 180 H N -0.835 118.225 119.070 -0.016 0.000 2.502 180 H HA -0.100 4.462 4.556 0.010 0.000 0.283 180 H C 1.935 177.295 175.328 0.054 0.000 1.015 180 H CA 0.981 57.040 56.048 0.019 0.000 1.298 180 H CB 0.411 30.266 29.762 0.154 0.000 1.411 180 H HN 0.298 nan 8.280 nan 0.000 0.556 181 K N 1.544 121.905 120.400 -0.065 0.000 2.099 181 K HA -0.069 4.255 4.320 0.008 0.000 0.203 181 K C 2.342 178.895 176.600 -0.078 0.000 1.047 181 K CA 0.305 56.534 56.287 -0.097 0.000 0.963 181 K CB -0.154 32.343 32.500 -0.005 0.000 0.759 181 K HN 0.237 nan 8.250 nan 0.000 0.451 182 R N 0.681 121.162 120.500 -0.032 0.000 2.127 182 R HA -0.117 4.227 4.340 0.008 0.000 0.228 182 R C 2.559 178.850 176.300 -0.016 0.000 1.125 182 R CA 2.057 58.149 56.100 -0.013 0.000 0.904 182 R CB -0.519 29.786 30.300 0.008 0.000 0.831 182 R HN 0.166 nan 8.270 nan 0.000 0.431 183 L N -1.073 120.150 121.223 -0.001 0.000 2.027 183 L HA 0.033 4.378 4.340 0.008 0.000 0.206 183 L C 1.489 178.352 176.870 -0.012 0.000 1.074 183 L CA 1.057 55.912 54.840 0.024 0.000 0.745 183 L CB -0.500 41.618 42.059 0.099 0.000 0.898 183 L HN 0.779 nan 8.230 nan 0.000 0.433 184 G N 0.842 109.587 108.800 -0.092 0.000 2.212 184 G HA2 -0.247 3.718 3.960 0.008 0.000 0.255 184 G HA3 -0.247 3.718 3.960 0.008 0.000 0.255 184 G C 0.048 174.929 174.900 -0.032 0.000 1.062 184 G CA -0.114 44.889 45.100 -0.161 0.000 0.815 184 G HN 0.346 nan 8.290 nan 0.000 0.497 185 R N -0.413 120.129 120.500 0.070 0.000 2.720 185 R HA 0.605 4.949 4.340 0.008 0.000 0.272 185 R C 0.331 176.771 176.300 0.233 0.000 0.991 185 R CA -0.577 55.620 56.100 0.162 0.000 1.010 185 R CB 0.731 31.163 30.300 0.219 0.000 1.141 185 R HN 0.137 nan 8.270 nan 0.000 0.494 186 T N 2.468 117.137 114.554 0.192 0.000 2.934 186 T HA 0.083 4.437 4.350 0.008 0.000 0.306 186 T C 0.165 174.966 174.700 0.169 0.000 1.042 186 T CA 0.659 62.862 62.100 0.173 0.000 1.145 186 T CB 0.153 69.103 68.868 0.136 0.000 0.982 186 T HN 0.281 nan 8.240 nan 0.000 0.544 187 M N 3.914 123.522 119.600 0.013 0.000 2.213 187 M HA 0.439 4.924 4.480 0.008 0.000 0.286 187 M C -0.913 175.321 176.300 -0.110 0.000 1.008 187 M CA -0.403 54.810 55.300 -0.144 0.000 0.937 187 M CB 2.055 34.249 32.600 -0.676 0.000 1.600 187 M HN 0.409 nan 8.290 nan 0.000 0.450 188 I N 3.443 124.057 120.570 0.074 0.000 2.371 188 I HA 0.291 4.465 4.170 0.008 0.000 0.282 188 I C -1.315 174.956 176.117 0.257 0.000 1.031 188 I CA -0.618 60.820 61.300 0.230 0.000 1.180 188 I CB 0.724 38.860 38.000 0.226 0.000 1.336 188 I HN 0.614 nan 8.210 nan 0.000 0.467 189 Y N 6.393 126.805 120.300 0.186 0.000 2.328 189 Y HA 0.534 5.081 4.550 -0.004 0.000 0.337 189 Y C -0.485 175.568 175.900 0.254 0.000 1.008 189 Y CA -0.442 57.779 58.100 0.201 0.000 1.129 189 Y CB 1.388 40.031 38.460 0.305 0.000 1.185 189 Y HN 0.195 nan 8.280 nan 0.000 0.476 190 V N 5.596 125.551 119.914 0.069 0.000 2.459 190 V HA 0.603 4.727 4.120 0.008 0.000 0.295 190 V C -0.202 175.887 176.094 -0.008 0.000 1.029 190 V CA -0.358 62.003 62.300 0.102 0.000 0.874 190 V CB 1.661 33.486 31.823 0.004 0.000 0.985 190 V HN 0.880 nan 8.190 nan 0.000 0.438 191 T N 1.880 116.489 114.554 0.093 0.000 2.802 191 T HA 0.425 4.779 4.350 0.008 0.000 0.311 191 T C -0.220 174.501 174.700 0.035 0.000 1.405 191 T CA -0.353 61.790 62.100 0.073 0.000 1.016 191 T CB 1.584 70.636 68.868 0.308 0.000 1.352 191 T HN 0.725 nan 8.240 nan 0.000 0.498 192 H N 0.394 119.560 119.070 0.160 0.000 2.750 192 H HA 0.287 4.841 4.556 -0.003 0.000 0.263 192 H C 0.218 175.608 175.328 0.104 0.000 0.964 192 H CA -0.016 56.120 56.048 0.148 0.000 1.205 192 H CB 0.553 30.384 29.762 0.114 0.000 1.454 192 H HN 0.495 nan 8.280 nan 0.000 0.503 193 D N 2.068 122.597 120.400 0.216 0.000 2.348 193 D HA -0.028 4.617 4.640 0.008 0.000 0.259 193 D C 0.848 177.210 176.300 0.103 0.000 1.296 193 D CA 0.121 54.200 54.000 0.132 0.000 0.931 193 D CB 0.793 41.665 40.800 0.119 0.000 1.067 193 D HN 0.356 nan 8.370 nan 0.000 0.503 194 Q N 2.104 121.941 119.800 0.062 0.000 2.226 194 Q HA -0.095 4.250 4.340 0.008 0.000 0.204 194 Q C 1.930 177.930 176.000 0.001 0.000 0.975 194 Q CA 0.839 56.663 55.803 0.034 0.000 0.866 194 Q CB 0.353 29.082 28.738 -0.014 0.000 0.915 194 Q HN 0.430 nan 8.270 nan 0.000 0.440 195 V N 1.064 120.972 119.914 -0.011 0.000 2.515 195 V HA -0.231 3.893 4.120 0.008 0.000 0.250 195 V C 2.102 178.167 176.094 -0.048 0.000 1.058 195 V CA 1.747 64.024 62.300 -0.038 0.000 1.064 195 V CB -0.308 31.495 31.823 -0.034 0.000 0.675 195 V HN 0.361 nan 8.190 nan 0.000 0.461 196 E N -0.119 120.071 120.200 -0.018 0.000 2.047 196 E HA -0.183 4.172 4.350 0.008 0.000 0.191 196 E C 2.271 178.806 176.600 -0.107 0.000 0.987 196 E CA 1.248 57.622 56.400 -0.043 0.000 0.799 196 E CB -0.230 29.504 29.700 0.055 0.000 0.752 196 E HN 0.580 nan 8.360 nan 0.000 0.449 197 A N 1.242 124.041 122.820 -0.035 0.000 1.841 197 A HA -0.246 4.079 4.320 0.008 0.000 0.216 197 A C 2.165 179.675 177.584 -0.123 0.000 1.199 197 A CA 2.025 54.030 52.037 -0.052 0.000 0.621 197 A CB -0.627 18.398 19.000 0.042 0.000 0.835 197 A HN 0.261 nan 8.150 nan 0.000 0.445 198 M N -0.197 119.350 119.600 -0.088 0.000 2.143 198 M HA -0.164 4.320 4.480 0.008 0.000 0.258 198 M C 2.150 178.357 176.300 -0.156 0.000 1.071 198 M CA 2.256 57.489 55.300 -0.111 0.000 1.088 198 M CB -2.136 30.400 32.600 -0.106 0.000 1.360 198 M HN 0.516 nan 8.290 nan 0.000 0.404 199 T N 1.036 115.487 114.554 -0.172 0.000 2.732 199 T HA -0.008 4.347 4.350 0.008 0.000 0.261 199 T C 2.065 176.582 174.700 -0.305 0.000 1.040 199 T CA 1.078 63.059 62.100 -0.199 0.000 1.145 199 T CB -0.146 68.620 68.868 -0.170 0.000 0.866 199 T HN 0.317 nan 8.240 nan 0.000 0.427 200 L N 0.433 121.384 121.223 -0.454 0.000 2.168 200 L HA 0.321 4.665 4.340 0.008 0.000 0.203 200 L C 1.564 177.834 176.870 -1.001 0.000 1.078 200 L CA -0.139 54.202 54.840 -0.832 0.000 0.780 200 L CB -0.556 40.777 42.059 -1.210 0.000 0.939 200 L HN 0.126 nan 8.230 nan 0.000 0.451 201 A N 0.334 122.762 122.820 -0.655 0.000 2.483 201 A HA -0.017 4.307 4.320 0.008 0.000 0.238 201 A C 0.444 177.889 177.584 -0.233 0.000 1.070 201 A CA 0.055 51.867 52.037 -0.376 0.000 0.770 201 A CB 0.150 19.048 19.000 -0.171 0.000 1.008 201 A HN 0.218 nan 8.150 nan 0.000 0.497 202 D N -0.185 120.152 120.400 -0.106 0.000 2.379 202 D HA 0.130 4.775 4.640 0.008 0.000 0.218 202 D C 0.428 176.707 176.300 -0.036 0.000 1.006 202 D CA 1.049 55.023 54.000 -0.042 0.000 0.893 202 D CB 0.393 41.212 40.800 0.031 0.000 1.019 202 D HN 0.572 nan 8.370 nan 0.000 0.503 203 K N 0.440 120.817 120.400 -0.038 0.000 2.527 203 K HA 0.468 4.793 4.320 0.008 0.000 0.260 203 K C -1.746 174.807 176.600 -0.079 0.000 0.937 203 K CA -0.496 55.758 56.287 -0.055 0.000 0.826 203 K CB 2.060 34.521 32.500 -0.066 0.000 1.359 203 K HN -0.177 nan 8.250 nan 0.000 0.434 204 I N 3.023 123.542 120.570 -0.085 0.000 2.545 204 I HA 0.327 4.502 4.170 0.008 0.000 0.292 204 I C -0.742 175.286 176.117 -0.148 0.000 1.040 204 I CA -1.191 60.044 61.300 -0.108 0.000 1.068 204 I CB 2.257 40.238 38.000 -0.032 0.000 1.251 204 I HN 0.218 nan 8.210 nan 0.000 0.424 205 V N 6.748 126.492 119.914 -0.284 0.000 2.417 205 V HA 0.357 4.482 4.120 0.008 0.000 0.291 205 V C -0.179 175.873 176.094 -0.070 0.000 1.024 205 V CA -0.698 61.455 62.300 -0.245 0.000 0.861 205 V CB 1.884 33.370 31.823 -0.561 0.000 0.985 205 V HN 0.369 nan 8.190 nan 0.000 0.436 206 V N 6.743 126.667 119.914 0.017 0.000 2.328 206 V HA 0.419 4.544 4.120 0.008 0.000 0.278 206 V C -0.186 175.955 176.094 0.080 0.000 1.021 206 V CA -0.453 61.871 62.300 0.041 0.000 0.838 206 V CB 1.215 33.069 31.823 0.053 0.000 0.999 206 V HN 0.591 nan 8.190 nan 0.000 0.447 207 L N 4.316 125.576 121.223 0.062 0.000 2.357 207 L HA 0.619 4.963 4.340 0.008 0.000 0.273 207 L C -0.096 176.756 176.870 -0.031 0.000 1.080 207 L CA 0.160 55.031 54.840 0.052 0.000 0.803 207 L CB 1.199 43.309 42.059 0.086 0.000 1.174 207 L HN 0.684 nan 8.230 nan 0.000 0.443 208 D N 2.138 122.455 120.400 -0.139 0.000 2.479 208 D HA 0.550 5.194 4.640 0.008 0.000 0.246 208 D C -0.182 175.945 176.300 -0.288 0.000 1.336 208 D CA 0.011 53.764 54.000 -0.412 0.000 0.967 208 D CB 1.160 41.371 40.800 -0.981 0.000 1.275 208 D HN 0.834 nan 8.370 nan 0.000 0.577 209 A N 3.082 125.782 122.820 -0.200 0.000 2.610 209 A HA 0.163 4.488 4.320 0.008 0.000 0.299 209 A C 1.669 179.205 177.584 -0.079 0.000 1.487 209 A CA 1.730 53.693 52.037 -0.124 0.000 0.743 209 A CB -2.012 16.897 19.000 -0.152 0.000 1.070 209 A HN 1.932 nan 8.150 nan 0.000 0.439 210 G N -1.621 107.150 108.800 -0.048 0.000 2.304 210 G HA2 -0.318 3.647 3.960 0.008 0.000 0.252 210 G HA3 -0.318 3.647 3.960 0.008 0.000 0.252 210 G C 0.318 175.206 174.900 -0.020 0.000 1.014 210 G CA 0.980 46.066 45.100 -0.022 0.000 0.619 210 G HN 1.393 nan 8.290 nan 0.000 0.525 211 R N -0.214 120.260 120.500 -0.044 0.000 2.573 211 R HA 0.611 4.956 4.340 0.008 0.000 0.272 211 R C -0.346 175.952 176.300 -0.004 0.000 1.009 211 R CA -0.748 55.337 56.100 -0.026 0.000 1.059 211 R CB 1.875 32.147 30.300 -0.047 0.000 1.112 211 R HN 0.057 nan 8.270 nan 0.000 0.517 212 V N 2.434 122.365 119.914 0.029 0.000 2.389 212 V HA 0.085 4.209 4.120 0.008 0.000 0.264 212 V C 1.013 177.138 176.094 0.053 0.000 1.049 212 V CA 0.322 62.658 62.300 0.060 0.000 0.932 212 V CB 0.673 32.544 31.823 0.079 0.000 1.011 212 V HN 1.017 nan 8.190 nan 0.000 0.475 213 A N 4.534 127.397 122.820 0.073 0.000 1.855 213 A HA 0.086 4.411 4.320 0.008 0.000 0.213 213 A C 0.919 178.573 177.584 0.117 0.000 1.195 213 A CA 0.862 52.966 52.037 0.112 0.000 0.610 213 A CB 0.095 19.242 19.000 0.246 0.000 0.837 213 A HN 0.734 nan 8.150 nan 0.000 0.444 214 Q N -1.560 118.305 119.800 0.108 0.000 2.391 214 Q HA 0.561 4.905 4.340 0.008 0.000 0.279 214 Q C -2.268 173.766 176.000 0.057 0.000 1.028 214 Q CA -0.554 55.302 55.803 0.089 0.000 0.836 214 Q CB 2.202 31.006 28.738 0.110 0.000 1.414 214 Q HN 0.144 nan 8.270 nan 0.000 0.397 215 V N 1.870 121.809 119.914 0.043 0.000 2.656 215 V HA 0.997 5.122 4.120 0.008 0.000 0.307 215 V C 0.088 176.193 176.094 0.019 0.000 1.051 215 V CA 0.256 62.561 62.300 0.009 0.000 0.893 215 V CB 1.534 33.356 31.823 -0.001 0.000 0.999 215 V HN 0.935 nan 8.190 nan 0.000 0.426 216 G N 3.337 112.140 108.800 0.006 0.000 2.349 216 G HA2 0.375 4.339 3.960 0.008 0.000 0.294 216 G HA3 0.375 4.339 3.960 0.008 0.000 0.294 216 G C -1.608 173.299 174.900 0.011 0.000 1.380 216 G CA -0.982 44.132 45.100 0.023 0.000 0.811 216 G HN 0.533 nan 8.290 nan 0.000 0.519 217 K N 1.122 121.537 120.400 0.024 0.000 2.168 217 K HA 0.295 4.620 4.320 0.008 0.000 0.258 217 K C -1.390 175.223 176.600 0.022 0.000 1.010 217 K CA -1.383 54.910 56.287 0.010 0.000 0.929 217 K CB 1.610 34.122 32.500 0.019 0.000 0.998 217 K HN 0.144 nan 8.250 nan 0.000 0.479 218 P HA -0.220 nan 4.420 nan 0.000 0.214 218 P C 1.184 178.488 177.300 0.007 0.000 1.169 218 P CA 1.364 64.457 63.100 -0.011 0.000 0.908 218 P CB 0.098 31.763 31.700 -0.058 0.000 0.791 219 L N -0.350 120.864 121.223 -0.014 0.000 2.353 219 L HA -0.080 4.265 4.340 0.008 0.000 0.220 219 L C 2.510 179.440 176.870 0.101 0.000 1.133 219 L CA 1.486 56.304 54.840 -0.036 0.000 0.798 219 L CB -1.715 40.336 42.059 -0.013 0.000 0.922 219 L HN 0.015 nan 8.230 nan 0.000 0.445 220 E N -0.828 119.466 120.200 0.156 0.000 2.072 220 E HA -0.158 4.197 4.350 0.008 0.000 0.191 220 E C 2.217 178.969 176.600 0.253 0.000 0.985 220 E CA 0.804 57.358 56.400 0.257 0.000 0.801 220 E CB 0.020 29.822 29.700 0.171 0.000 0.750 220 E HN 0.432 nan 8.360 nan 0.000 0.452 221 L N -0.454 120.866 121.223 0.161 0.000 2.179 221 L HA -0.102 4.242 4.340 0.008 0.000 0.208 221 L C 2.296 179.239 176.870 0.123 0.000 1.096 221 L CA 0.685 55.611 54.840 0.143 0.000 0.779 221 L CB -0.363 41.760 42.059 0.106 0.000 0.922 221 L HN 0.230 nan 8.230 nan 0.000 0.443 222 Y N 0.083 120.352 120.300 -0.052 0.000 2.200 222 Y HA -0.220 4.331 4.550 0.003 0.000 0.290 222 Y C 2.741 178.589 175.900 -0.086 0.000 1.137 222 Y CA 1.679 59.700 58.100 -0.133 0.000 1.163 222 Y CB 0.033 38.328 38.460 -0.275 0.000 0.988 222 Y HN 0.173 nan 8.280 nan 0.000 0.518 223 H N -2.260 116.872 119.070 0.103 0.000 2.497 223 H HA 0.103 4.666 4.556 0.011 0.000 0.282 223 H C -0.274 174.758 175.328 -0.493 0.000 1.003 223 H CA 0.829 56.725 56.048 -0.252 0.000 1.307 223 H CB -0.011 29.415 29.762 -0.559 0.000 1.437 223 H HN 0.324 nan 8.280 nan 0.000 0.544 224 Y N 0.190 120.682 120.300 0.321 0.000 2.470 224 Y HA 0.331 4.886 4.550 0.010 0.000 0.352 224 Y C -2.406 173.624 175.900 0.217 0.000 0.967 224 Y CA -2.926 55.329 58.100 0.259 0.000 1.121 224 Y CB 0.496 39.073 38.460 0.194 0.000 1.149 224 Y HN -0.022 nan 8.280 nan 0.000 0.641 225 P HA 0.046 nan 4.420 nan 0.000 0.266 225 P C 0.661 178.144 177.300 0.305 0.000 1.195 225 P CA 0.366 63.613 63.100 0.245 0.000 0.768 225 P CB 1.325 33.135 31.700 0.183 0.000 0.838 226 A N 2.598 125.561 122.820 0.239 0.000 2.119 226 A HA 0.056 4.381 4.320 0.008 0.000 0.216 226 A C 0.437 178.176 177.584 0.258 0.000 1.152 226 A CA 1.265 53.437 52.037 0.226 0.000 0.708 226 A CB -0.688 18.412 19.000 0.166 0.000 0.805 226 A HN 0.693 nan 8.150 nan 0.000 0.460 227 D N -4.300 116.253 120.400 0.254 0.000 2.643 227 D HA 0.307 4.952 4.640 0.008 0.000 0.283 227 D C 0.437 176.679 176.300 -0.096 0.000 1.242 227 D CA -0.740 53.382 54.000 0.203 0.000 0.863 227 D CB 0.426 41.309 40.800 0.138 0.000 1.382 227 D HN -0.129 nan 8.370 nan 0.000 0.444 228 R N -0.781 119.426 120.500 -0.488 0.000 2.091 228 R HA -0.104 4.241 4.340 0.008 0.000 0.238 228 R C 1.803 177.815 176.300 -0.480 0.000 1.136 228 R CA 1.356 56.814 56.100 -1.070 0.000 0.959 228 R CB -0.461 29.272 30.300 -0.944 0.000 0.856 228 R HN 0.461 nan 8.270 nan 0.000 0.437 229 F N 0.620 120.407 119.950 -0.272 0.000 2.095 229 F HA -0.212 4.321 4.527 0.010 0.000 0.298 229 F C 1.810 177.609 175.800 -0.001 0.000 1.104 229 F CA 1.641 59.571 58.000 -0.117 0.000 1.232 229 F CB -0.546 38.409 39.000 -0.076 0.000 0.987 229 F HN -0.181 nan 8.300 nan 0.000 0.475 230 V N 0.774 120.486 119.914 -0.336 0.000 2.358 230 V HA -0.253 3.871 4.120 0.008 0.000 0.246 230 V C 2.828 178.812 176.094 -0.183 0.000 1.047 230 V CA 1.669 63.794 62.300 -0.291 0.000 1.035 230 V CB -1.699 30.122 31.823 -0.004 0.000 0.658 230 V HN 0.515 nan 8.190 nan 0.000 0.452 231 A N 0.794 123.535 122.820 -0.132 0.000 1.892 231 A HA -0.173 4.151 4.320 0.008 0.000 0.218 231 A C 2.347 179.886 177.584 -0.075 0.000 1.188 231 A CA 2.179 54.162 52.037 -0.089 0.000 0.631 231 A CB -1.221 17.766 19.000 -0.021 0.000 0.822 231 A HN 0.563 nan 8.150 nan 0.000 0.447 232 G N -2.859 105.934 108.800 -0.012 0.000 2.650 232 G HA2 0.036 4.001 3.960 0.008 0.000 0.214 232 G HA3 0.036 4.001 3.960 0.008 0.000 0.214 232 G C 1.234 176.064 174.900 -0.117 0.000 1.136 232 G CA 0.886 46.021 45.100 0.059 0.000 0.789 232 G HN 0.468 nan 8.290 nan 0.000 0.536 233 F N 0.406 120.148 119.950 -0.347 0.000 2.383 233 F HA 0.407 4.946 4.527 0.020 0.000 0.287 233 F C 0.774 176.462 175.800 -0.185 0.000 1.069 233 F CA -0.353 57.449 58.000 -0.330 0.000 1.402 233 F CB 0.437 39.078 39.000 -0.600 0.000 1.116 233 F HN -0.179 nan 8.300 nan 0.000 0.549 234 I N 1.842 122.351 120.570 -0.101 0.000 2.352 234 I HA 0.434 4.609 4.170 0.008 0.000 0.290 234 I C 0.347 176.378 176.117 -0.142 0.000 1.036 234 I CA 0.046 61.302 61.300 -0.074 0.000 1.336 234 I CB -0.128 37.893 38.000 0.036 0.000 1.407 234 I HN 0.326 nan 8.210 nan 0.000 0.497 235 G N 4.229 112.950 108.800 -0.131 0.000 3.313 235 G HA2 -0.027 3.937 3.960 0.008 0.000 0.659 235 G HA3 -0.027 3.937 3.960 0.008 0.000 0.659 235 G C 0.394 175.199 174.900 -0.158 0.000 1.286 235 G CA -0.168 44.871 45.100 -0.101 0.000 1.077 235 G HN 0.789 nan 8.290 nan 0.000 0.551 236 S N 2.884 118.518 115.700 -0.109 0.000 2.443 236 S HA -0.021 4.454 4.470 0.008 0.000 0.367 236 S C -1.083 173.438 174.600 -0.132 0.000 1.204 236 S CA 1.349 59.481 58.200 -0.114 0.000 2.228 236 S CB -1.256 61.898 63.200 -0.077 0.000 1.259 236 S HN 0.835 nan 8.310 nan 0.000 0.389 237 P HA 0.208 nan 4.420 nan 0.000 0.261 237 P C -0.298 176.900 177.300 -0.171 0.000 1.203 237 P CA 0.148 63.171 63.100 -0.128 0.000 0.767 237 P CB -0.038 31.594 31.700 -0.113 0.000 0.785 238 K N 3.853 124.147 120.400 -0.176 0.000 2.561 238 K HA -0.038 4.287 4.320 0.008 0.000 0.280 238 K C 0.696 177.131 176.600 -0.275 0.000 0.975 238 K CA -0.085 56.081 56.287 -0.201 0.000 1.024 238 K CB 0.161 32.578 32.500 -0.139 0.000 0.883 238 K HN 0.454 nan 8.250 nan 0.000 0.496 239 M N 3.763 123.141 119.600 -0.370 0.000 2.246 239 M HA -0.072 4.413 4.480 0.008 0.000 0.327 239 M C -0.306 175.555 176.300 -0.731 0.000 1.090 239 M CA 0.498 55.463 55.300 -0.558 0.000 1.087 239 M CB 0.380 32.561 32.600 -0.698 0.000 1.587 239 M HN 0.551 nan 8.290 nan 0.000 0.444 240 N N 3.427 121.782 118.700 -0.575 0.000 2.524 240 N HA 0.399 5.144 4.740 0.008 0.000 0.283 240 N C -1.623 173.521 175.510 -0.611 0.000 1.142 240 N CA 0.133 52.925 53.050 -0.429 0.000 0.984 240 N CB 0.824 39.193 38.487 -0.197 0.000 1.155 240 N HN 0.406 nan 8.380 nan 0.000 0.467 241 F N 0.926 120.879 119.950 0.005 0.000 2.540 241 F HA 0.476 5.007 4.527 0.007 0.000 0.317 241 F C -0.450 175.372 175.800 0.037 0.000 1.104 241 F CA -0.784 57.240 58.000 0.040 0.000 0.913 241 F CB 1.317 40.329 39.000 0.020 0.000 1.170 241 F HN 0.081 nan 8.300 nan 0.000 0.450 242 L N 4.639 126.010 121.223 0.248 0.000 2.385 242 L HA 0.606 4.951 4.340 0.008 0.000 0.273 242 L C -2.588 174.363 176.870 0.134 0.000 0.990 242 L CA -2.010 52.917 54.840 0.144 0.000 0.821 242 L CB 1.943 44.057 42.059 0.093 0.000 1.279 242 L HN 0.283 nan 8.230 nan 0.000 0.412 243 P HA 0.375 nan 4.420 nan 0.000 0.281 243 P C -1.073 176.259 177.300 0.052 0.000 1.252 243 P CA -0.344 62.798 63.100 0.071 0.000 0.778 243 P CB 1.144 32.873 31.700 0.049 0.000 0.895 244 V N 0.370 120.312 119.914 0.047 0.000 3.141 244 V HA 0.774 4.899 4.120 0.008 0.000 0.312 244 V C -0.815 175.284 176.094 0.008 0.000 1.157 244 V CA -1.310 61.003 62.300 0.021 0.000 1.041 244 V CB 2.448 34.282 31.823 0.018 0.000 1.071 244 V HN 0.162 nan 8.190 nan 0.000 0.441 245 K N 1.002 121.393 120.400 -0.014 0.000 2.270 245 K HA 0.735 5.060 4.320 0.008 0.000 0.255 245 K C -1.254 175.316 176.600 -0.049 0.000 0.936 245 K CA -0.630 55.643 56.287 -0.024 0.000 0.809 245 K CB 2.059 34.544 32.500 -0.025 0.000 1.131 245 K HN 0.743 nan 8.250 nan 0.000 0.427 246 V N 4.432 124.317 119.914 -0.048 0.000 2.408 246 V HA 0.111 4.236 4.120 0.008 0.000 0.267 246 V C 1.142 177.178 176.094 -0.096 0.000 1.047 246 V CA 0.237 62.491 62.300 -0.077 0.000 0.937 246 V CB 0.649 32.442 31.823 -0.050 0.000 0.999 246 V HN 1.080 nan 8.190 nan 0.000 0.472 247 T N 1.510 115.970 114.554 -0.155 0.000 3.037 247 T HA 0.547 4.902 4.350 0.008 0.000 0.252 247 T C 0.495 175.091 174.700 -0.174 0.000 1.073 247 T CA 0.551 62.559 62.100 -0.155 0.000 1.091 247 T CB 0.478 69.239 68.868 -0.178 0.000 0.935 247 T HN 0.950 nan 8.240 nan 0.000 0.488 248 A N -0.065 122.600 122.820 -0.258 0.000 2.610 248 A HA 0.725 5.050 4.320 0.008 0.000 0.291 248 A C -0.898 176.604 177.584 -0.138 0.000 1.086 248 A CA -0.610 51.304 52.037 -0.204 0.000 0.677 248 A CB 1.497 20.326 19.000 -0.284 0.000 1.278 248 A HN 0.213 nan 8.150 nan 0.000 0.414 249 T N -0.502 114.111 114.554 0.098 0.000 3.032 249 T HA 0.704 5.058 4.350 0.008 0.000 0.312 249 T C -0.438 174.441 174.700 0.298 0.000 1.078 249 T CA 0.545 62.769 62.100 0.208 0.000 1.028 249 T CB 0.962 69.891 68.868 0.101 0.000 1.091 249 T HN 2.082 nan 8.240 nan 0.000 0.457 250 A N 3.888 126.919 122.820 0.350 0.000 2.468 250 A HA 0.830 5.155 4.320 0.008 0.000 0.270 250 A C 0.985 178.620 177.584 0.084 0.000 1.217 250 A CA -0.730 51.400 52.037 0.155 0.000 0.908 250 A CB 0.121 19.105 19.000 -0.027 0.000 1.423 250 A HN 0.709 nan 8.150 nan 0.000 0.459 251 I N 0.471 121.054 120.570 0.021 0.000 2.053 251 I HA -0.207 3.967 4.170 0.008 0.000 0.227 251 I C 0.629 176.761 176.117 0.024 0.000 1.017 251 I CA 1.920 63.228 61.300 0.013 0.000 1.315 251 I CB -0.315 37.677 38.000 -0.013 0.000 1.036 251 I HN 0.513 nan 8.210 nan 0.000 0.386 252 D N 1.058 121.463 120.400 0.007 0.000 3.058 252 D HA 0.204 4.849 4.640 0.008 0.000 0.272 252 D C 0.394 176.718 176.300 0.040 0.000 1.350 252 D CA 0.098 54.110 54.000 0.020 0.000 0.863 252 D CB 0.273 41.074 40.800 0.001 0.000 1.064 252 D HN 0.446 nan 8.370 nan 0.000 0.488 253 Q N -0.898 118.956 119.800 0.090 0.000 3.348 253 Q HA 0.742 5.087 4.340 0.008 0.000 0.330 253 Q C -0.855 175.310 176.000 0.275 0.000 0.928 253 Q CA -1.102 54.822 55.803 0.202 0.000 0.823 253 Q CB 2.633 31.480 28.738 0.182 0.000 1.774 253 Q HN -0.153 nan 8.270 nan 0.000 0.433 254 V N 0.973 121.174 119.914 0.478 0.000 2.570 254 V HA -0.057 4.067 4.120 0.008 0.000 0.245 254 V C -1.539 174.566 176.094 0.018 0.000 1.913 254 V CA -0.468 61.952 62.300 0.200 0.000 0.719 254 V CB 1.162 33.044 31.823 0.099 0.000 1.261 254 V HN 0.656 nan 8.190 nan 0.000 0.552 255 Q N 3.267 122.791 119.800 -0.460 0.000 2.256 255 Q HA 0.839 5.184 4.340 0.008 0.000 0.257 255 Q C -0.660 175.098 176.000 -0.403 0.000 0.936 255 Q CA -0.549 54.782 55.803 -0.786 0.000 0.903 255 Q CB 2.228 29.932 28.738 -1.723 0.000 1.263 255 Q HN 1.083 nan 8.270 nan 0.000 0.440 256 V N 0.335 120.084 119.914 -0.276 0.000 2.914 256 V HA 0.605 4.730 4.120 0.008 0.000 0.314 256 V C -0.930 175.083 176.094 -0.135 0.000 1.084 256 V CA -0.951 61.254 62.300 -0.158 0.000 0.963 256 V CB 1.855 33.629 31.823 -0.081 0.000 1.025 256 V HN 0.894 nan 8.190 nan 0.000 0.432 257 E N 2.838 122.981 120.200 -0.096 0.000 2.134 257 E HA 0.538 4.892 4.350 0.008 0.000 0.278 257 E C -0.900 175.678 176.600 -0.037 0.000 0.959 257 E CA -0.734 55.624 56.400 -0.070 0.000 0.783 257 E CB 1.434 31.095 29.700 -0.065 0.000 1.095 257 E HN 0.781 nan 8.360 nan 0.000 0.399 258 L N 6.078 127.284 121.223 -0.028 0.000 2.439 258 L HA 0.162 4.507 4.340 0.008 0.000 0.269 258 L C -1.538 175.329 176.870 -0.004 0.000 1.179 258 L CA -1.576 53.258 54.840 -0.009 0.000 0.828 258 L CB 0.385 42.441 42.059 -0.005 0.000 1.106 258 L HN 0.547 nan 8.230 nan 0.000 0.467 259 P HA -0.128 nan 4.420 nan 0.000 0.221 259 P C 0.250 177.553 177.300 0.004 0.000 1.145 259 P CA 0.876 63.980 63.100 0.008 0.000 0.795 259 P CB 0.021 31.731 31.700 0.016 0.000 0.775 260 M N 0.598 120.200 119.600 0.003 0.000 2.219 260 M HA -0.056 4.429 4.480 0.008 0.000 0.340 260 M C -1.040 175.259 176.300 -0.001 0.000 1.135 260 M CA -1.178 54.123 55.300 0.002 0.000 0.976 260 M CB -1.068 31.532 32.600 -0.000 0.000 1.713 260 M HN -0.036 nan 8.290 nan 0.000 0.457 261 P HA -0.181 nan 4.420 nan 0.000 0.221 261 P C 0.537 177.835 177.300 -0.003 0.000 1.145 261 P CA 1.520 64.620 63.100 -0.000 0.000 0.795 261 P CB -0.228 31.472 31.700 0.001 0.000 0.775 262 N N -0.520 118.178 118.700 -0.004 0.000 2.322 262 N HA -0.035 4.710 4.740 0.008 0.000 0.194 262 N C 0.062 175.567 175.510 -0.008 0.000 1.126 262 N CA -0.108 52.938 53.050 -0.005 0.000 0.845 262 N CB -0.528 37.956 38.487 -0.005 0.000 0.976 262 N HN -0.129 nan 8.380 nan 0.000 0.475 263 R N 1.118 121.612 120.500 -0.010 0.000 2.955 263 R HA -0.216 4.128 4.340 0.008 0.000 0.239 263 R C -0.261 176.026 176.300 -0.022 0.000 0.848 263 R CA 0.457 56.547 56.100 -0.016 0.000 0.586 263 R CB -2.320 27.969 30.300 -0.017 0.000 1.098 263 R HN 0.682 nan 8.270 nan 0.000 0.499 264 Q N 1.435 121.224 119.800 -0.019 0.000 2.304 264 Q HA 0.081 4.425 4.340 0.008 0.000 0.260 264 Q C -0.328 175.648 176.000 -0.040 0.000 0.965 264 Q CA 0.048 55.838 55.803 -0.022 0.000 0.898 264 Q CB 0.704 29.435 28.738 -0.013 0.000 1.196 264 Q HN 0.285 nan 8.270 nan 0.000 0.402 265 Q N 2.346 122.113 119.800 -0.055 0.000 2.271 265 Q HA 0.551 4.895 4.340 0.008 0.000 0.258 265 Q C -1.195 174.747 176.000 -0.098 0.000 0.936 265 Q CA -0.614 55.124 55.803 -0.107 0.000 0.909 265 Q CB 2.386 31.036 28.738 -0.147 0.000 1.253 265 Q HN 0.483 nan 8.270 nan 0.000 0.440 266 V N 2.477 122.318 119.914 -0.122 0.000 2.841 266 V HA 0.513 4.638 4.120 0.008 0.000 0.310 266 V C -1.864 174.188 176.094 -0.069 0.000 1.090 266 V CA -0.710 61.563 62.300 -0.044 0.000 0.930 266 V CB 1.342 33.166 31.823 0.003 0.000 1.014 266 V HN 0.808 nan 8.190 nan 0.000 0.425 267 W N 5.574 126.868 121.300 -0.010 0.000 2.315 267 W HA 0.695 5.359 4.660 0.007 0.000 0.316 267 W C -0.312 176.195 176.519 -0.019 0.000 1.211 267 W CA -0.407 56.931 57.345 -0.012 0.000 1.201 267 W CB 1.270 30.724 29.460 -0.010 0.000 1.184 267 W HN 0.439 nan 8.180 nan 0.000 0.544 268 L N 5.846 127.221 121.223 0.254 0.000 2.341 268 L HA 0.379 4.724 4.340 0.008 0.000 0.278 268 L C -1.896 175.048 176.870 0.123 0.000 1.005 268 L CA -2.315 52.600 54.840 0.125 0.000 0.818 268 L CB 1.786 43.876 42.059 0.052 0.000 1.259 268 L HN 0.148 nan 8.230 nan 0.000 0.418 269 P HA 0.096 nan 4.420 nan 0.000 0.259 269 P C -0.626 176.708 177.300 0.057 0.000 1.635 269 P CA 0.220 63.358 63.100 0.063 0.000 1.199 269 P CB 0.825 32.559 31.700 0.057 0.000 1.850 270 V N 2.411 122.365 119.914 0.066 0.000 3.007 270 V HA 0.089 4.214 4.120 0.008 0.000 0.311 270 V C 1.784 177.909 176.094 0.052 0.000 1.120 270 V CA -0.531 61.798 62.300 0.048 0.000 0.980 270 V CB 2.364 34.201 31.823 0.024 0.000 1.033 270 V HN 0.220 nan 8.190 nan 0.000 0.429 271 E N 2.273 122.498 120.200 0.041 0.000 2.181 271 E HA -0.321 4.034 4.350 0.008 0.000 0.225 271 E C 1.651 178.278 176.600 0.044 0.000 1.073 271 E CA 2.914 59.337 56.400 0.038 0.000 0.916 271 E CB -0.141 29.581 29.700 0.036 0.000 0.793 271 E HN 1.185 nan 8.360 nan 0.000 0.472 272 S N -2.189 113.541 115.700 0.049 0.000 2.105 272 S HA -0.336 4.138 4.470 0.008 0.000 0.242 272 S C 0.351 174.979 174.600 0.045 0.000 1.128 272 S CA 1.239 59.473 58.200 0.057 0.000 1.482 272 S CB -1.600 61.644 63.200 0.072 0.000 1.865 272 S HN 0.536 nan 8.310 nan 0.000 0.577 273 R N 1.617 122.140 120.500 0.039 0.000 2.484 273 R HA 0.180 4.525 4.340 0.008 0.000 0.293 273 R C 0.070 176.391 176.300 0.035 0.000 1.023 273 R CA 1.249 57.370 56.100 0.034 0.000 1.037 273 R CB -0.471 29.848 30.300 0.031 0.000 0.951 273 R HN 0.489 nan 8.270 nan 0.000 0.418 274 D N 1.665 122.084 120.400 0.033 0.000 2.800 274 D HA -0.149 4.495 4.640 0.008 0.000 0.232 274 D C -1.431 174.890 176.300 0.033 0.000 1.137 274 D CA 0.901 54.920 54.000 0.032 0.000 0.718 274 D CB -0.365 40.456 40.800 0.035 0.000 1.084 274 D HN 0.206 nan 8.370 nan 0.000 0.432 275 V N 0.708 120.641 119.914 0.033 0.000 2.495 275 V HA 0.525 4.649 4.120 0.008 0.000 0.298 275 V C 0.229 176.338 176.094 0.025 0.000 1.031 275 V CA -0.602 61.716 62.300 0.030 0.000 0.871 275 V CB 2.012 33.855 31.823 0.033 0.000 0.988 275 V HN 0.125 nan 8.190 nan 0.000 0.432 276 Q N 2.318 122.129 119.800 0.019 0.000 2.365 276 Q HA 0.601 4.946 4.340 0.008 0.000 0.269 276 Q C -1.150 174.852 176.000 0.003 0.000 1.061 276 Q CA -0.657 55.154 55.803 0.014 0.000 0.816 276 Q CB 2.467 31.214 28.738 0.014 0.000 1.325 276 Q HN 0.596 nan 8.270 nan 0.000 0.446 277 V N 3.195 123.109 119.914 -0.000 0.000 2.540 277 V HA 0.222 4.347 4.120 0.008 0.000 0.297 277 V C 1.246 177.333 176.094 -0.011 0.000 1.024 277 V CA 2.003 64.294 62.300 -0.014 0.000 1.105 277 V CB 0.502 32.318 31.823 -0.011 0.000 0.938 277 V HN 1.141 nan 8.190 nan 0.000 0.482 278 G N 3.878 112.667 108.800 -0.018 0.000 2.284 278 G HA2 -0.105 3.860 3.960 0.008 0.000 0.216 278 G HA3 -0.105 3.860 3.960 0.008 0.000 0.216 278 G C 0.547 175.443 174.900 -0.007 0.000 1.009 278 G CA 0.103 45.195 45.100 -0.013 0.000 0.625 278 G HN 1.497 nan 8.290 nan 0.000 0.501 279 A N 0.378 123.196 122.820 -0.003 0.000 2.547 279 A HA 0.467 4.791 4.320 0.008 0.000 0.233 279 A C 0.346 177.934 177.584 0.006 0.000 1.067 279 A CA 0.614 52.654 52.037 0.005 0.000 0.763 279 A CB 0.093 19.100 19.000 0.012 0.000 1.007 279 A HN 0.445 nan 8.150 nan 0.000 0.506 280 N N 1.991 120.699 118.700 0.013 0.000 2.485 280 N HA 0.408 5.152 4.740 0.008 0.000 0.243 280 N C -0.513 175.016 175.510 0.032 0.000 0.987 280 N CA 0.114 53.175 53.050 0.018 0.000 0.940 280 N CB 1.087 39.583 38.487 0.015 0.000 1.122 280 N HN 0.610 nan 8.380 nan 0.000 0.509 281 M N -0.229 119.395 119.600 0.040 0.000 2.849 281 M HA 0.400 4.885 4.480 0.008 0.000 0.299 281 M C 0.311 176.670 176.300 0.098 0.000 1.223 281 M CA -0.825 54.517 55.300 0.070 0.000 0.856 281 M CB 1.594 34.229 32.600 0.058 0.000 1.680 281 M HN 0.174 nan 8.290 nan 0.000 0.506 282 S N 1.051 116.851 115.700 0.168 0.000 2.473 282 S HA 0.663 5.138 4.470 0.008 0.000 0.307 282 S C -1.329 173.464 174.600 0.321 0.000 1.094 282 S CA -0.817 57.531 58.200 0.246 0.000 1.070 282 S CB 0.930 64.278 63.200 0.247 0.000 1.019 282 S HN 0.609 nan 8.310 nan 0.000 0.480 283 L N 5.009 126.404 121.223 0.286 0.000 2.307 283 L HA 0.888 5.233 4.340 0.008 0.000 0.284 283 L C 0.170 177.236 176.870 0.326 0.000 1.023 283 L CA -0.291 54.683 54.840 0.223 0.000 0.810 283 L CB 1.077 43.205 42.059 0.115 0.000 1.231 283 L HN 0.763 nan 8.230 nan 0.000 0.423 284 G N 4.659 113.656 108.800 0.328 0.000 2.420 284 G HA2 0.661 4.626 3.960 0.008 0.000 0.331 284 G HA3 0.661 4.626 3.960 0.008 0.000 0.331 284 G C -1.718 173.265 174.900 0.137 0.000 1.168 284 G CA -0.433 44.802 45.100 0.225 0.000 0.936 284 G HN 0.573 nan 8.290 nan 0.000 0.479 285 I N 0.049 120.599 120.570 -0.033 0.000 2.710 285 I HA 0.439 4.613 4.170 0.008 0.000 0.290 285 I C -0.387 175.664 176.117 -0.111 0.000 1.318 285 I CA -0.880 60.432 61.300 0.019 0.000 1.045 285 I CB 1.919 39.941 38.000 0.037 0.000 1.307 285 I HN 0.553 nan 8.210 nan 0.000 0.424 286 R N 7.168 127.593 120.500 -0.125 0.000 2.490 286 R HA 0.371 4.716 4.340 0.008 0.000 0.278 286 R C -1.861 174.352 176.300 -0.146 0.000 1.069 286 R CA -1.385 54.559 56.100 -0.259 0.000 1.080 286 R CB 0.334 30.324 30.300 -0.516 0.000 1.030 286 R HN 0.403 nan 8.270 nan 0.000 0.491 287 P HA -0.177 nan 4.420 nan 0.000 0.217 287 P C -0.048 177.207 177.300 -0.075 0.000 1.148 287 P CA 1.319 64.374 63.100 -0.076 0.000 0.828 287 P CB 0.283 31.909 31.700 -0.123 0.000 0.783 288 E N -2.609 117.532 120.200 -0.098 0.000 2.489 288 E HA -0.034 4.320 4.350 0.008 0.000 0.193 288 E C 1.127 177.851 176.600 0.208 0.000 1.057 288 E CA 0.529 56.919 56.400 -0.017 0.000 0.866 288 E CB -0.768 28.933 29.700 0.002 0.000 0.916 288 E HN 0.526 nan 8.360 nan 0.000 0.500 289 H N -0.437 118.663 119.070 0.050 0.000 2.705 289 H HA 0.254 4.816 4.556 0.011 0.000 0.269 289 H C 0.188 175.569 175.328 0.088 0.000 0.998 289 H CA -0.572 55.515 56.048 0.065 0.000 1.193 289 H CB 0.703 30.495 29.762 0.050 0.000 1.485 289 H HN 0.042 nan 8.280 nan 0.000 0.521 290 L N 2.133 123.514 121.223 0.264 0.000 2.461 290 L HA 0.105 4.449 4.340 0.008 0.000 0.272 290 L C -0.224 176.835 176.870 0.314 0.000 1.197 290 L CA 0.068 55.069 54.840 0.269 0.000 0.836 290 L CB 0.822 43.106 42.059 0.376 0.000 1.105 290 L HN 0.084 nan 8.230 nan 0.000 0.477 291 L N 2.874 124.211 121.223 0.191 0.000 2.332 291 L HA 0.527 4.872 4.340 0.008 0.000 0.269 291 L C -2.267 174.669 176.870 0.110 0.000 1.016 291 L CA -2.092 52.844 54.840 0.159 0.000 0.809 291 L CB 1.370 43.474 42.059 0.075 0.000 1.280 291 L HN 0.322 nan 8.230 nan 0.000 0.447 292 P HA 0.048 nan 4.420 nan 0.000 0.271 292 P C 0.251 177.528 177.300 -0.037 0.000 1.218 292 P CA -0.194 62.926 63.100 0.034 0.000 0.780 292 P CB 0.916 32.651 31.700 0.059 0.000 0.901 293 S N 2.138 117.774 115.700 -0.107 0.000 2.359 293 S HA -0.253 4.221 4.470 0.008 0.000 0.223 293 S C 1.511 176.071 174.600 -0.066 0.000 1.039 293 S CA 1.915 60.054 58.200 -0.101 0.000 1.042 293 S CB -1.324 61.783 63.200 -0.156 0.000 0.915 293 S HN 0.592 nan 8.310 nan 0.000 0.439 294 D N 2.370 122.731 120.400 -0.067 0.000 2.123 294 D HA -0.141 4.504 4.640 0.008 0.000 0.196 294 D C 1.254 177.538 176.300 -0.026 0.000 0.992 294 D CA 0.811 54.784 54.000 -0.045 0.000 0.833 294 D CB -0.558 40.216 40.800 -0.043 0.000 0.954 294 D HN 0.455 nan 8.370 nan 0.000 0.455 295 I N 1.114 121.674 120.570 -0.017 0.000 3.731 295 I HA 0.550 4.725 4.170 0.008 0.000 0.316 295 I C 0.559 176.674 176.117 -0.003 0.000 1.395 295 I CA -0.550 60.747 61.300 -0.005 0.000 1.294 295 I CB -1.624 36.380 38.000 0.007 0.000 1.238 295 I HN 0.143 nan 8.210 nan 0.000 0.437 296 A N 0.453 123.267 122.820 -0.009 0.000 2.569 296 A HA 0.586 4.911 4.320 0.008 0.000 0.292 296 A C -1.260 176.319 177.584 -0.010 0.000 1.032 296 A CA -0.789 51.244 52.037 -0.006 0.000 0.669 296 A CB 1.247 20.246 19.000 -0.002 0.000 1.290 296 A HN 0.123 nan 8.150 nan 0.000 0.422 297 D N -0.151 120.246 120.400 -0.005 0.000 2.440 297 D HA 0.549 5.193 4.640 0.008 0.000 0.258 297 D C 0.035 176.335 176.300 -0.001 0.000 1.092 297 D CA 0.209 54.208 54.000 -0.002 0.000 1.016 297 D CB 1.398 42.201 40.800 0.004 0.000 1.141 297 D HN 1.124 nan 8.370 nan 0.000 0.552 298 V N 0.551 120.466 119.914 0.000 0.000 5.574 298 V HA -0.247 3.878 4.120 0.008 0.000 0.296 298 V C -0.138 175.953 176.094 -0.005 0.000 0.678 298 V CA 0.532 62.833 62.300 0.000 0.000 1.093 298 V CB -1.810 30.017 31.823 0.006 0.000 1.279 298 V HN 0.373 nan 8.190 nan 0.000 0.446 299 I N 4.311 124.875 120.570 -0.010 0.000 2.607 299 I HA 0.734 4.909 4.170 0.008 0.000 0.305 299 I C 0.074 176.183 176.117 -0.013 0.000 0.995 299 I CA -0.775 60.514 61.300 -0.018 0.000 1.148 299 I CB 1.951 39.933 38.000 -0.029 0.000 1.323 299 I HN 0.317 nan 8.210 nan 0.000 0.461 300 L N 4.376 125.591 121.223 -0.014 0.000 2.409 300 L HA 0.532 4.877 4.340 0.008 0.000 0.272 300 L C -0.669 176.203 176.870 0.003 0.000 0.980 300 L CA -0.502 54.337 54.840 -0.002 0.000 0.826 300 L CB 1.949 44.011 42.059 0.004 0.000 1.268 300 L HN 0.571 nan 8.230 nan 0.000 0.407 301 E N 0.963 121.168 120.200 0.008 0.000 2.221 301 E HA 0.829 5.184 4.350 0.008 0.000 0.268 301 E C -0.396 176.225 176.600 0.036 0.000 0.933 301 E CA -0.503 55.909 56.400 0.020 0.000 0.809 301 E CB 2.666 32.367 29.700 0.003 0.000 1.190 301 E HN 0.756 nan 8.360 nan 0.000 0.406 302 G N 1.220 110.057 108.800 0.062 0.000 2.488 302 G HA2 0.163 4.128 3.960 0.008 0.000 0.301 302 G HA3 0.163 4.128 3.960 0.008 0.000 0.301 302 G C -1.406 173.537 174.900 0.072 0.000 1.339 302 G CA -0.745 44.389 45.100 0.056 0.000 0.803 302 G HN 0.429 nan 8.290 nan 0.000 0.482 303 E N 0.132 120.364 120.200 0.053 0.000 2.115 303 E HA 0.405 4.760 4.350 0.008 0.000 0.282 303 E C -0.061 176.564 176.600 0.042 0.000 0.987 303 E CA -0.439 55.991 56.400 0.050 0.000 0.797 303 E CB 1.934 31.655 29.700 0.034 0.000 1.086 303 E HN 0.231 nan 8.360 nan 0.000 0.397 304 V N 5.051 124.992 119.914 0.044 0.000 2.509 304 V HA -0.135 3.990 4.120 0.008 0.000 0.297 304 V C 1.093 177.188 176.094 0.002 0.000 1.014 304 V CA 0.659 62.961 62.300 0.003 0.000 1.127 304 V CB 0.703 32.526 31.823 -0.002 0.000 0.925 304 V HN 0.734 nan 8.190 nan 0.000 0.480 305 Q N 3.917 123.718 119.800 0.002 0.000 2.387 305 Q HA 0.241 4.585 4.340 0.008 0.000 0.208 305 Q C 0.096 176.067 176.000 -0.048 0.000 0.935 305 Q CA 0.814 56.616 55.803 -0.002 0.000 0.891 305 Q CB 0.712 29.469 28.738 0.032 0.000 1.007 305 Q HN 0.613 nan 8.270 nan 0.000 0.548 306 V N 0.395 120.249 119.914 -0.101 0.000 2.962 306 V HA 0.574 4.699 4.120 0.008 0.000 0.313 306 V C -0.694 175.255 176.094 -0.241 0.000 1.099 306 V CA -0.876 61.286 62.300 -0.230 0.000 0.971 306 V CB 2.668 34.197 31.823 -0.490 0.000 1.028 306 V HN -0.148 nan 8.190 nan 0.000 0.430 307 V N 2.339 122.131 119.914 -0.202 0.000 2.577 307 V HA 0.397 4.522 4.120 0.008 0.000 0.294 307 V C -0.708 175.307 176.094 -0.131 0.000 1.052 307 V CA -0.552 61.659 62.300 -0.147 0.000 0.891 307 V CB 1.738 33.510 31.823 -0.086 0.000 1.017 307 V HN 0.987 nan 8.190 nan 0.000 0.436 308 E N 3.903 124.026 120.200 -0.128 0.000 2.151 308 E HA 0.460 4.815 4.350 0.008 0.000 0.275 308 E C -0.855 175.712 176.600 -0.056 0.000 0.936 308 E CA -0.771 55.575 56.400 -0.091 0.000 0.777 308 E CB 1.608 31.253 29.700 -0.092 0.000 1.108 308 E HN 0.465 nan 8.360 nan 0.000 0.401 309 Q N 3.165 122.939 119.800 -0.043 0.000 2.421 309 Q HA 0.188 4.533 4.340 0.008 0.000 0.242 309 Q C 0.515 176.500 176.000 -0.025 0.000 1.024 309 Q CA 0.003 55.789 55.803 -0.029 0.000 0.891 309 Q CB 1.057 29.782 28.738 -0.021 0.000 1.222 309 Q HN 0.657 nan 8.270 nan 0.000 0.483 310 L N 0.063 121.271 121.223 -0.025 0.000 2.509 310 L HA 0.114 4.459 4.340 0.008 0.000 0.222 310 L C 1.330 178.189 176.870 -0.018 0.000 1.123 310 L CA 0.714 55.540 54.840 -0.023 0.000 0.856 310 L CB 0.117 42.160 42.059 -0.026 0.000 0.985 310 L HN 0.910 nan 8.230 nan 0.000 0.456 311 G N 0.982 109.773 108.800 -0.016 0.000 2.850 311 G HA2 -0.329 3.635 3.960 0.008 0.000 0.207 311 G HA3 -0.329 3.635 3.960 0.008 0.000 0.207 311 G C 0.901 175.795 174.900 -0.011 0.000 1.302 311 G CA 0.282 45.376 45.100 -0.011 0.000 0.832 311 G HN 0.393 nan 8.290 nan 0.000 0.543 312 N N 2.347 121.038 118.700 -0.015 0.000 2.392 312 N HA 0.140 4.885 4.740 0.008 0.000 0.177 312 N C 0.687 176.185 175.510 -0.019 0.000 1.066 312 N CA 1.550 54.590 53.050 -0.015 0.000 0.895 312 N CB 0.329 38.805 38.487 -0.018 0.000 0.988 312 N HN 0.908 nan 8.380 nan 0.000 0.457 313 E N -1.055 119.131 120.200 -0.024 0.000 2.447 313 E HA 0.427 4.782 4.350 0.008 0.000 0.279 313 E C -1.617 174.963 176.600 -0.034 0.000 1.053 313 E CA -0.866 55.515 56.400 -0.033 0.000 0.840 313 E CB 1.363 31.034 29.700 -0.050 0.000 1.409 313 E HN -0.190 nan 8.360 nan 0.000 0.461 314 T N 1.270 115.798 114.554 -0.042 0.000 2.879 314 T HA 0.285 4.640 4.350 0.008 0.000 0.290 314 T C -1.185 173.479 174.700 -0.060 0.000 0.993 314 T CA -0.678 61.400 62.100 -0.037 0.000 0.975 314 T CB 1.399 70.261 68.868 -0.009 0.000 0.981 314 T HN 0.337 nan 8.240 nan 0.000 0.439 315 Q N 3.117 122.889 119.800 -0.046 0.000 2.290 315 Q HA 0.525 4.870 4.340 0.008 0.000 0.259 315 Q C -0.764 175.240 176.000 0.007 0.000 0.941 315 Q CA -0.958 54.833 55.803 -0.020 0.000 0.912 315 Q CB 1.775 30.529 28.738 0.027 0.000 1.244 315 Q HN 0.412 nan 8.270 nan 0.000 0.441 316 I N 2.830 123.424 120.570 0.039 0.000 2.382 316 I HA 0.263 4.438 4.170 0.008 0.000 0.286 316 I C -0.043 176.147 176.117 0.121 0.000 1.002 316 I CA -0.595 60.693 61.300 -0.020 0.000 1.135 316 I CB 0.784 38.632 38.000 -0.253 0.000 1.288 316 I HN 0.557 nan 8.210 nan 0.000 0.448 317 H N 6.500 125.509 119.070 -0.101 0.000 2.562 317 H HA 0.544 5.102 4.556 0.003 0.000 0.314 317 H C -0.440 174.839 175.328 -0.082 0.000 1.079 317 H CA -0.582 55.423 56.048 -0.071 0.000 1.349 317 H CB 1.951 31.684 29.762 -0.048 0.000 1.432 317 H HN 0.415 nan 8.280 nan 0.000 0.479 318 I N 3.102 123.698 120.570 0.044 0.000 2.382 318 I HA 0.084 4.259 4.170 0.008 0.000 0.286 318 I C -0.113 176.021 176.117 0.027 0.000 1.002 318 I CA -0.484 60.825 61.300 0.014 0.000 1.135 318 I CB 1.860 39.857 38.000 -0.005 0.000 1.288 318 I HN 0.497 nan 8.210 nan 0.000 0.448 319 Q N 6.910 126.730 119.800 0.033 0.000 2.295 319 Q HA 0.472 4.817 4.340 0.008 0.000 0.259 319 Q C -1.115 174.902 176.000 0.028 0.000 0.976 319 Q CA -0.257 55.563 55.803 0.029 0.000 0.923 319 Q CB 1.056 29.811 28.738 0.029 0.000 1.185 319 Q HN 0.603 nan 8.270 nan 0.000 0.410 320 I N 7.322 127.906 120.570 0.023 0.000 2.378 320 I HA 0.309 4.484 4.170 0.008 0.000 0.291 320 I C -1.985 174.144 176.117 0.019 0.000 0.992 320 I CA -2.592 58.721 61.300 0.022 0.000 1.154 320 I CB 1.886 39.898 38.000 0.020 0.000 1.315 320 I HN 0.548 nan 8.210 nan 0.000 0.448 321 P HA 0.090 nan 4.420 nan 0.000 0.263 321 P C -0.174 177.134 177.300 0.013 0.000 1.345 321 P CA 0.666 63.775 63.100 0.014 0.000 1.119 321 P CB 0.899 32.607 31.700 0.013 0.000 1.363 322 S N 1.492 117.201 115.700 0.014 0.000 7.267 322 S HA -0.036 4.438 4.470 0.008 0.000 0.045 322 S C 0.132 174.743 174.600 0.018 0.000 1.477 322 S CA -0.328 57.880 58.200 0.014 0.000 1.048 322 S CB -0.818 62.391 63.200 0.014 0.000 1.109 322 S HN 0.276 nan 8.310 nan 0.000 0.538 323 I N 3.478 124.061 120.570 0.021 0.000 2.496 323 I HA 0.388 4.563 4.170 0.008 0.000 0.285 323 I C 1.433 177.564 176.117 0.024 0.000 1.080 323 I CA 0.195 61.511 61.300 0.026 0.000 1.404 323 I CB 0.549 38.566 38.000 0.029 0.000 1.403 323 I HN 0.329 nan 8.210 nan 0.000 0.539 324 R N 3.320 123.836 120.500 0.026 0.000 2.092 324 R HA -0.035 4.310 4.340 0.008 0.000 0.231 324 R C 0.394 176.708 176.300 0.023 0.000 1.119 324 R CA 0.987 57.100 56.100 0.023 0.000 0.970 324 R CB 0.259 30.572 30.300 0.022 0.000 0.864 324 R HN 0.575 nan 8.270 nan 0.000 0.440 325 Q N 1.288 121.104 119.800 0.026 0.000 2.259 325 Q HA 0.151 4.496 4.340 0.008 0.000 0.246 325 Q C -0.742 175.262 176.000 0.007 0.000 0.920 325 Q CA -0.504 55.311 55.803 0.020 0.000 0.895 325 Q CB 1.094 29.849 28.738 0.028 0.000 1.220 325 Q HN 0.192 nan 8.270 nan 0.000 0.439 326 N N 1.262 119.960 118.700 -0.002 0.000 2.441 326 N HA 0.040 4.785 4.740 0.008 0.000 0.251 326 N C -0.466 175.010 175.510 -0.056 0.000 1.242 326 N CA -0.098 52.946 53.050 -0.011 0.000 0.898 326 N CB 0.494 38.988 38.487 0.012 0.000 1.100 326 N HN 0.360 nan 8.380 nan 0.000 0.443 327 L N 2.482 123.679 121.223 -0.044 0.000 2.264 327 L HA 0.296 4.641 4.340 0.008 0.000 0.289 327 L C -0.664 176.151 176.870 -0.091 0.000 1.044 327 L CA -0.522 54.283 54.840 -0.058 0.000 0.807 327 L CB 1.132 43.181 42.059 -0.016 0.000 1.192 327 L HN 0.181 nan 8.230 nan 0.000 0.425 328 V N 5.387 125.205 119.914 -0.160 0.000 2.567 328 V HA 0.318 4.443 4.120 0.008 0.000 0.289 328 V C -0.870 175.225 176.094 0.002 0.000 1.049 328 V CA -0.519 61.671 62.300 -0.184 0.000 0.969 328 V CB 1.260 32.866 31.823 -0.362 0.000 0.995 328 V HN 0.656 nan 8.190 nan 0.000 0.471 329 Y N 4.683 124.927 120.300 -0.095 0.000 2.421 329 Y HA 0.636 5.194 4.550 0.014 0.000 0.339 329 Y C -0.229 175.648 175.900 -0.039 0.000 0.996 329 Y CA -1.122 56.944 58.100 -0.058 0.000 1.046 329 Y CB 1.544 39.971 38.460 -0.055 0.000 1.226 329 Y HN 0.602 nan 8.280 nan 0.000 0.445 330 R N 4.796 124.917 120.500 -0.632 0.000 2.338 330 R HA 0.416 4.761 4.340 0.008 0.000 0.317 330 R C -1.165 174.675 176.300 -0.767 0.000 0.968 330 R CA -0.842 54.952 56.100 -0.511 0.000 0.849 330 R CB 1.849 31.989 30.300 -0.267 0.000 1.128 330 R HN 0.716 nan 8.270 nan 0.000 0.448 331 Q N 2.176 121.696 119.800 -0.466 0.000 2.356 331 Q HA 0.195 4.539 4.340 0.008 0.000 0.270 331 Q C -0.944 174.999 176.000 -0.095 0.000 1.058 331 Q CA -0.777 54.875 55.803 -0.252 0.000 0.802 331 Q CB 1.932 30.675 28.738 0.007 0.000 1.303 331 Q HN 0.567 nan 8.270 nan 0.000 0.444 332 N N 3.108 121.781 118.700 -0.044 0.000 2.441 332 N HA -0.034 4.711 4.740 0.008 0.000 0.251 332 N C -0.420 175.091 175.510 0.002 0.000 1.242 332 N CA 0.713 53.751 53.050 -0.019 0.000 0.898 332 N CB 0.522 39.006 38.487 -0.004 0.000 1.100 332 N HN 0.830 nan 8.380 nan 0.000 0.443 333 D N 0.084 120.482 120.400 -0.003 0.000 4.658 333 D HA -0.235 4.409 4.640 0.008 0.000 0.304 333 D C -1.054 175.251 176.300 0.008 0.000 2.363 333 D CA 0.434 54.437 54.000 0.005 0.000 1.179 333 D CB -0.128 40.681 40.800 0.014 0.000 1.091 333 D HN 0.173 nan 8.370 nan 0.000 1.274 334 V N 0.773 120.694 119.914 0.012 0.000 2.508 334 V HA 0.416 4.541 4.120 0.008 0.000 0.281 334 V C 0.470 176.583 176.094 0.031 0.000 1.041 334 V CA -0.305 62.004 62.300 0.015 0.000 1.016 334 V CB 1.135 32.965 31.823 0.011 0.000 0.984 334 V HN 0.347 nan 8.190 nan 0.000 0.478 335 V N 6.883 126.821 119.914 0.039 0.000 2.443 335 V HA 0.390 4.514 4.120 0.008 0.000 0.293 335 V C -0.182 175.950 176.094 0.062 0.000 1.021 335 V CA -0.493 61.848 62.300 0.069 0.000 0.848 335 V CB 1.773 33.661 31.823 0.109 0.000 0.998 335 V HN 0.651 nan 8.190 nan 0.000 0.424 336 L N 6.013 127.274 121.223 0.063 0.000 2.281 336 L HA 0.647 4.991 4.340 0.008 0.000 0.285 336 L C -0.630 176.287 176.870 0.078 0.000 1.074 336 L CA -0.267 54.605 54.840 0.053 0.000 0.817 336 L CB 1.256 43.339 42.059 0.039 0.000 1.168 336 L HN 0.374 nan 8.230 nan 0.000 0.434 337 V N 2.441 122.394 119.914 0.066 0.000 2.808 337 V HA 0.322 4.446 4.120 0.008 0.000 0.308 337 V C -0.481 175.641 176.094 0.047 0.000 1.099 337 V CA -0.988 61.365 62.300 0.088 0.000 0.920 337 V CB 2.444 34.333 31.823 0.110 0.000 1.014 337 V HN 0.536 nan 8.190 nan 0.000 0.425 338 E N 2.085 122.315 120.200 0.051 0.000 2.259 338 E HA 0.168 4.523 4.350 0.008 0.000 0.281 338 E C 0.102 176.715 176.600 0.022 0.000 1.027 338 E CA -0.346 56.072 56.400 0.029 0.000 0.838 338 E CB 1.490 31.208 29.700 0.029 0.000 1.066 338 E HN 0.781 nan 8.360 nan 0.000 0.401 339 E N 1.574 121.776 120.200 0.003 0.000 1.943 339 E HA 0.053 4.407 4.350 0.008 0.000 0.254 339 E C 0.473 177.076 176.600 0.006 0.000 1.239 339 E CA 0.322 56.718 56.400 -0.006 0.000 1.027 339 E CB -0.713 28.976 29.700 -0.018 0.000 1.087 339 E HN 0.771 nan 8.360 nan 0.000 0.437 340 G N 2.332 111.143 108.800 0.018 0.000 3.743 340 G HA2 -0.058 3.907 3.960 0.008 0.000 0.220 340 G HA3 -0.058 3.907 3.960 0.008 0.000 0.220 340 G C 0.269 175.193 174.900 0.039 0.000 0.914 340 G CA -0.168 44.946 45.100 0.024 0.000 0.851 340 G HN 0.669 nan 8.290 nan 0.000 0.573 341 A N 0.594 123.447 122.820 0.055 0.000 2.492 341 A HA 0.562 4.887 4.320 0.008 0.000 0.236 341 A C 0.796 178.441 177.584 0.103 0.000 1.078 341 A CA 1.382 53.467 52.037 0.079 0.000 0.773 341 A CB 0.193 19.259 19.000 0.110 0.000 1.023 341 A HN 1.130 nan 8.150 nan 0.000 0.504 342 T N 0.631 115.240 114.554 0.090 0.000 2.771 342 T HA 0.537 4.892 4.350 0.008 0.000 0.291 342 T C -0.859 173.918 174.700 0.129 0.000 0.954 342 T CA -0.100 62.052 62.100 0.087 0.000 1.045 342 T CB -0.437 68.452 68.868 0.034 0.000 0.917 342 T HN 0.439 nan 8.240 nan 0.000 0.484 343 F N 3.307 123.242 119.950 -0.025 0.000 2.576 343 F HA 0.734 5.268 4.527 0.011 0.000 0.313 343 F C -0.416 175.342 175.800 -0.070 0.000 1.078 343 F CA -0.629 57.344 58.000 -0.045 0.000 0.921 343 F CB 1.922 40.898 39.000 -0.041 0.000 1.232 343 F HN 0.795 nan 8.300 nan 0.000 0.459 344 A N 5.088 127.769 122.820 -0.232 0.000 2.423 344 A HA 0.943 5.268 4.320 0.008 0.000 0.304 344 A C -1.339 176.154 177.584 -0.152 0.000 1.104 344 A CA -0.671 51.291 52.037 -0.126 0.000 0.757 344 A CB 1.460 20.359 19.000 -0.169 0.000 1.313 344 A HN 0.827 nan 8.150 nan 0.000 0.423 345 I N -1.669 118.842 120.570 -0.097 0.000 2.984 345 I HA 0.770 4.945 4.170 0.008 0.000 0.303 345 I C 0.017 176.094 176.117 -0.067 0.000 1.381 345 I CA -1.016 60.200 61.300 -0.141 0.000 0.988 345 I CB 1.939 39.796 38.000 -0.238 0.000 1.307 345 I HN 0.772 nan 8.210 nan 0.000 0.460 346 G N 2.493 111.270 108.800 -0.038 0.000 2.367 346 G HA2 0.589 4.554 3.960 0.008 0.000 0.314 346 G HA3 0.589 4.554 3.960 0.008 0.000 0.314 346 G C -1.262 173.651 174.900 0.021 0.000 1.130 346 G CA -0.553 44.545 45.100 -0.004 0.000 0.864 346 G HN 0.560 nan 8.290 nan 0.000 0.486 347 L N 4.045 125.277 121.223 0.015 0.000 2.417 347 L HA 0.403 4.747 4.340 0.008 0.000 0.258 347 L C -2.010 174.867 176.870 0.012 0.000 1.088 347 L CA -2.275 52.578 54.840 0.021 0.000 0.975 347 L CB 1.051 43.119 42.059 0.016 0.000 1.341 347 L HN 0.199 nan 8.230 nan 0.000 0.431 348 P HA 0.153 nan 4.420 nan 0.000 0.264 348 P C -2.169 175.102 177.300 -0.048 0.000 1.236 348 P CA -1.177 61.908 63.100 -0.026 0.000 0.811 348 P CB 0.316 31.993 31.700 -0.039 0.000 0.840 349 P HA -0.196 nan 4.420 nan 0.000 0.215 349 P C 1.050 178.289 177.300 -0.102 0.000 1.153 349 P CA 1.581 64.656 63.100 -0.041 0.000 0.853 349 P CB -0.012 31.688 31.700 -0.001 0.000 0.788 350 E N -0.212 119.878 120.200 -0.183 0.000 2.265 350 E HA -0.131 4.223 4.350 0.008 0.000 0.196 350 E C 1.538 177.903 176.600 -0.392 0.000 0.996 350 E CA 0.913 57.094 56.400 -0.365 0.000 0.832 350 E CB -0.688 28.596 29.700 -0.694 0.000 0.756 350 E HN 0.271 nan 8.360 nan 0.000 0.491 351 R N -0.173 120.166 120.500 -0.270 0.000 2.586 351 R HA 0.291 4.635 4.340 0.008 0.000 0.336 351 R C -0.792 175.426 176.300 -0.138 0.000 1.060 351 R CA -0.311 55.661 56.100 -0.214 0.000 1.079 351 R CB 0.338 30.532 30.300 -0.177 0.000 1.317 351 R HN 0.095 nan 8.270 nan 0.000 0.568 352 C N 1.175 120.382 119.300 -0.155 0.000 2.295 352 C HA 0.356 4.820 4.460 0.008 0.000 0.331 352 C C 0.191 175.075 174.990 -0.176 0.000 1.280 352 C CA -0.811 58.162 59.018 -0.075 0.000 1.746 352 C CB -0.047 27.676 27.740 -0.028 0.000 2.328 352 C HN 0.468 nan 8.230 nan 0.000 0.521 353 H N 1.671 120.691 119.070 -0.083 0.000 2.482 353 H HA 0.670 5.231 4.556 0.009 0.000 0.344 353 H C -0.397 174.696 175.328 -0.391 0.000 1.151 353 H CA -0.525 55.374 56.048 -0.248 0.000 1.300 353 H CB 0.603 30.203 29.762 -0.270 0.000 1.494 353 H HN 0.457 nan 8.280 nan 0.000 0.542 354 L N 2.674 123.632 121.223 -0.442 0.000 2.376 354 L HA 0.429 4.774 4.340 0.008 0.000 0.275 354 L C -1.762 174.775 176.870 -0.556 0.000 0.987 354 L CA -0.362 54.266 54.840 -0.353 0.000 0.828 354 L CB 0.433 42.414 42.059 -0.130 0.000 1.249 354 L HN 0.488 nan 8.230 nan 0.000 0.409 355 F N 3.879 123.901 119.950 0.119 0.000 2.458 355 F HA 0.609 5.141 4.527 0.007 0.000 0.336 355 F C 0.799 176.628 175.800 0.047 0.000 1.114 355 F CA -0.769 57.279 58.000 0.080 0.000 0.987 355 F CB 1.321 40.352 39.000 0.051 0.000 1.130 355 F HN 0.358 nan 8.300 nan 0.000 0.458 356 R N 1.614 122.232 120.500 0.197 0.000 2.840 356 R HA 0.083 4.427 4.340 0.008 0.000 0.282 356 R C 1.080 177.443 176.300 0.104 0.000 1.133 356 R CA -0.377 55.793 56.100 0.117 0.000 1.208 356 R CB 0.402 30.757 30.300 0.091 0.000 1.160 356 R HN 0.737 nan 8.270 nan 0.000 0.576 357 E N 0.916 121.155 120.200 0.065 0.000 2.110 357 E HA -0.206 4.148 4.350 0.008 0.000 0.193 357 E C 0.931 177.551 176.600 0.033 0.000 0.988 357 E CA 1.517 57.942 56.400 0.042 0.000 0.804 357 E CB -0.069 29.648 29.700 0.029 0.000 0.745 357 E HN 0.586 nan 8.360 nan 0.000 0.458 358 D N -0.663 119.762 120.400 0.042 0.000 2.336 358 D HA 0.012 4.657 4.640 0.008 0.000 0.229 358 D C 1.290 177.614 176.300 0.040 0.000 1.061 358 D CA 0.737 54.757 54.000 0.033 0.000 0.875 358 D CB 0.198 41.019 40.800 0.035 0.000 0.904 358 D HN 0.232 nan 8.370 nan 0.000 0.525 359 G N 0.224 109.060 108.800 0.059 0.000 2.267 359 G HA2 -0.309 3.656 3.960 0.008 0.000 0.257 359 G HA3 -0.309 3.656 3.960 0.008 0.000 0.257 359 G C 0.578 175.574 174.900 0.160 0.000 0.998 359 G CA 0.638 45.772 45.100 0.056 0.000 0.620 359 G HN 0.861 nan 8.290 nan 0.000 0.529 360 T N -0.292 114.359 114.554 0.163 0.000 2.916 360 T HA 0.662 5.017 4.350 0.008 0.000 0.303 360 T C 0.607 175.482 174.700 0.292 0.000 1.025 360 T CA 0.640 62.860 62.100 0.200 0.000 1.142 360 T CB 1.772 70.718 68.868 0.130 0.000 0.947 360 T HN 1.771 nan 8.240 nan 0.000 0.544 361 A N 2.221 125.249 122.820 0.346 0.000 2.340 361 A HA 0.484 4.809 4.320 0.008 0.000 0.268 361 A C 0.542 178.188 177.584 0.104 0.000 1.100 361 A CA -0.882 51.307 52.037 0.253 0.000 0.803 361 A CB 0.063 19.255 19.000 0.320 0.000 1.043 361 A HN 1.047 nan 8.150 nan 0.000 0.488 362 C N 2.816 122.116 119.300 0.000 0.000 2.227 362 C HA 0.384 4.849 4.460 0.008 0.000 0.333 362 C C 1.002 176.009 174.990 0.028 0.000 1.145 362 C CA -0.500 58.526 59.018 0.014 0.000 1.643 362 C CB -1.478 26.256 27.740 -0.011 0.000 2.185 362 C HN 0.950 nan 8.230 nan 0.000 0.497 363 R N 3.261 123.798 120.500 0.063 0.000 2.560 363 R HA -0.110 4.235 4.340 0.008 0.000 0.296 363 R C 0.343 176.693 176.300 0.083 0.000 0.873 363 R CA 0.939 57.088 56.100 0.082 0.000 1.140 363 R CB 0.006 30.332 30.300 0.043 0.000 0.875 363 R HN 0.626 nan 8.270 nan 0.000 0.419 364 R N 5.420 126.016 120.500 0.159 0.000 2.401 364 R HA 0.041 4.386 4.340 0.008 0.000 0.299 364 R C 0.659 177.064 176.300 0.175 0.000 1.064 364 R CA -0.139 56.061 56.100 0.168 0.000 1.000 364 R CB 0.480 30.921 30.300 0.235 0.000 0.973 364 R HN 0.668 nan 8.270 nan 0.000 0.438 365 L N 1.798 123.089 121.223 0.115 0.000 2.529 365 L HA 0.044 4.388 4.340 0.008 0.000 0.223 365 L C 0.834 177.768 176.870 0.105 0.000 1.113 365 L CA 0.059 54.944 54.840 0.076 0.000 0.861 365 L CB -0.300 41.787 42.059 0.047 0.000 1.012 365 L HN 0.580 nan 8.230 nan 0.000 0.461 366 H N 2.260 121.361 119.070 0.052 0.000 2.929 366 H HA 0.099 4.659 4.556 0.007 0.000 0.317 366 H C -0.065 175.312 175.328 0.081 0.000 1.031 366 H CA -0.049 56.014 56.048 0.026 0.000 1.466 366 H CB 0.520 30.267 29.762 -0.026 0.000 1.482 366 H HN -0.163 nan 8.280 nan 0.000 0.561 367 K N 5.129 125.295 120.400 -0.390 0.000 2.297 367 K HA 0.149 4.473 4.320 0.008 0.000 0.286 367 K C -0.138 176.253 176.600 -0.349 0.000 1.053 367 K CA -0.304 55.849 56.287 -0.224 0.000 0.940 367 K CB 0.970 33.357 32.500 -0.188 0.000 1.019 367 K HN 0.709 nan 8.250 nan 0.000 0.475 368 E N 2.767 122.905 120.200 -0.103 0.000 2.202 368 E HA 0.323 4.678 4.350 0.008 0.000 0.272 368 E C -2.281 174.263 176.600 -0.094 0.000 0.951 368 E CA -2.055 54.213 56.400 -0.219 0.000 0.813 368 E CB 1.243 30.546 29.700 -0.662 0.000 1.151 368 E HN 0.222 nan 8.360 nan 0.000 0.398 369 P HA 0.224 nan 4.420 nan 0.000 0.265 369 P C -0.236 177.126 177.300 0.104 0.000 1.222 369 P CA 0.503 63.615 63.100 0.020 0.000 0.767 369 P CB 0.360 32.073 31.700 0.022 0.000 0.801 370 G N 0.000 108.862 108.800 0.103 0.000 5.446 370 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 370 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 370 G CA 0.000 45.183 45.100 0.138 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925