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 2xdq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLAYWMYAG PAHIGTLRIA SSFKNVHGIM HAPLGDDYFN VMRSMLERER DATA SEQUENCE DFTPVTASIV DRHVLARGSQ EKVVDNIIRK DTEEHPDLIV LTPTCTSSIL DATA SEQUENCE QEDLQNFVRR ASLSTTADVL LADVNHYRVN ELQAADRTLE QIVQFYIDKA DATA SEQUENCE RRQGTLGTSK TPTPSVNIIG ITTLGFHNQH DCRELKQLMA DLGIQVNLVI DATA SEQUENCE PAAATVHDLQ RLPQAWFNLV PYREIGGLTA QYLEREFGQP SVRITPMGVV DATA SEQUENCE ETARCIRAIQ GVLNAQGAGV NYEAFIEQQT REVSQAAWFS RSIDCQNLTG DATA SEQUENCE KKAVVFGDNT HAAAMTKILS REMGIHVVWA GTYCKYDADW FRAEVAGFCD DATA SEQUENCE EVLITDDHTV VGDAIARVEP AAIFGTQMER HVGKRLNIPC GVIAAPIHIQ DATA SEQUENCE DFPVGYRPFL GYEGTNQLVD LIYNSFTLGM EDHLLEIFGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 K N 3.161 123.593 120.400 0.053 0.000 2.316 2 K HA 0.697 5.017 4.320 0.000 0.000 0.251 2 K C -1.429 175.202 176.600 0.052 0.000 0.934 2 K CA -1.065 55.251 56.287 0.048 0.000 0.802 2 K CB 2.704 35.233 32.500 0.049 0.000 1.171 2 K HN 0.513 nan 8.250 nan 0.000 0.426 3 L N 2.216 123.470 121.223 0.052 0.000 2.278 3 L HA 0.513 4.853 4.340 0.000 0.000 0.287 3 L C -0.911 176.006 176.870 0.077 0.000 1.072 3 L CA 0.372 55.252 54.840 0.067 0.000 0.819 3 L CB 0.655 42.753 42.059 0.065 0.000 1.176 3 L HN 0.972 nan 8.230 nan 0.000 0.435 4 A N 4.007 126.885 122.820 0.097 0.000 2.609 4 A HA 0.577 4.897 4.320 0.000 0.000 0.291 4 A C -0.988 176.699 177.584 0.171 0.000 1.096 4 A CA -0.197 51.899 52.037 0.097 0.000 0.684 4 A CB 0.880 19.909 19.000 0.048 0.000 1.282 4 A HN 0.779 nan 8.150 nan 0.000 0.412 5 Y N -2.598 117.778 120.300 0.127 0.000 2.563 5 Y HA 0.527 5.077 4.550 0.000 0.000 0.250 5 Y C -0.095 175.851 175.900 0.077 0.000 1.126 5 Y CA -0.996 57.151 58.100 0.077 0.000 1.231 5 Y CB 0.472 38.975 38.460 0.072 0.000 1.288 5 Y HN 0.661 nan 8.280 nan 0.000 0.537 6 W N 4.802 125.874 121.300 -0.379 0.000 2.819 6 W HA 0.659 5.319 4.660 0.000 0.000 0.337 6 W C -1.657 174.667 176.519 -0.325 0.000 1.077 6 W CA -1.524 55.559 57.345 -0.437 0.000 1.226 6 W CB 2.337 31.238 29.460 -0.931 0.000 1.419 6 W HN 0.016 nan 8.180 nan 0.000 0.502 7 M N 4.623 123.570 119.600 -1.089 0.000 2.446 7 M HA 0.317 4.797 4.480 0.000 0.000 0.294 7 M C -1.433 174.247 176.300 -1.034 0.000 1.158 7 M CA -0.574 54.282 55.300 -0.739 0.000 0.899 7 M CB 2.388 34.754 32.600 -0.389 0.000 1.687 7 M HN 0.479 nan 8.290 nan 0.000 0.455 8 Y N 1.588 121.590 120.300 -0.498 0.000 2.420 8 Y HA 0.452 5.002 4.550 0.000 0.000 0.292 8 Y C 1.170 176.697 175.900 -0.622 0.000 1.119 8 Y CA 0.985 58.707 58.100 -0.631 0.000 1.229 8 Y CB 0.386 38.314 38.460 -0.887 0.000 1.026 8 Y HN 0.813 nan 8.280 nan 0.000 0.554 9 A N -0.191 122.488 122.820 -0.235 0.000 2.393 9 A HA 0.697 5.017 4.320 0.000 0.000 0.306 9 A C 0.306 177.799 177.584 -0.151 0.000 1.050 9 A CA -0.253 51.716 52.037 -0.113 0.000 0.724 9 A CB 0.433 19.468 19.000 0.058 0.000 1.248 9 A HN 0.212 nan 8.150 nan 0.000 0.424 10 G N 1.461 110.174 108.800 -0.145 0.000 2.580 10 G HA2 0.599 4.559 3.960 0.000 0.000 0.278 10 G HA3 0.599 4.559 3.960 0.000 0.000 0.278 10 G C -2.410 172.358 174.900 -0.220 0.000 1.212 10 G CA -1.511 43.480 45.100 -0.182 0.000 0.939 10 G HN 0.559 nan 8.290 nan 0.000 0.513 11 P HA -0.023 nan 4.420 nan 0.000 0.269 11 P C 0.870 177.950 177.300 -0.367 0.000 1.205 11 P CA 0.663 63.550 63.100 -0.356 0.000 0.780 11 P CB 0.575 32.053 31.700 -0.370 0.000 0.858 12 A N 2.417 125.044 122.820 -0.322 0.000 1.940 12 A HA -0.237 4.083 4.320 0.000 0.000 0.219 12 A C 2.096 179.602 177.584 -0.130 0.000 1.176 12 A CA 1.836 53.753 52.037 -0.199 0.000 0.631 12 A CB -1.796 17.120 19.000 -0.141 0.000 0.814 12 A HN 0.819 nan 8.150 nan 0.000 0.446 13 H N -1.631 117.408 119.070 -0.051 0.000 2.489 13 H HA -0.063 4.494 4.556 0.000 0.000 0.293 13 H C 1.811 177.055 175.328 -0.139 0.000 1.066 13 H CA 1.351 57.355 56.048 -0.072 0.000 1.305 13 H CB -0.505 29.232 29.762 -0.042 0.000 1.386 13 H HN 0.378 nan 8.280 nan 0.000 0.551 14 I N 2.210 122.603 120.570 -0.296 0.000 2.264 14 I HA -0.147 4.023 4.170 0.000 0.000 0.248 14 I C 2.872 178.894 176.117 -0.159 0.000 1.111 14 I CA 1.454 62.631 61.300 -0.205 0.000 1.382 14 I CB -0.646 37.286 38.000 -0.114 0.000 1.060 14 I HN 0.459 nan 8.210 nan 0.000 0.418 15 G N -1.246 107.484 108.800 -0.116 0.000 2.402 15 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 15 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 15 G C 1.695 176.551 174.900 -0.073 0.000 1.162 15 G CA 1.241 46.297 45.100 -0.074 0.000 0.777 15 G HN 0.332 nan 8.290 nan 0.000 0.539 16 T N 1.368 115.874 114.554 -0.079 0.000 2.821 16 T HA 0.012 4.362 4.350 0.000 0.000 0.267 16 T C 2.421 177.057 174.700 -0.107 0.000 1.046 16 T CA 0.670 62.734 62.100 -0.061 0.000 1.139 16 T CB -0.158 68.688 68.868 -0.036 0.000 0.871 16 T HN 0.131 nan 8.240 nan 0.000 0.454 17 L N 0.412 121.491 121.223 -0.240 0.000 2.056 17 L HA -0.059 4.281 4.340 0.000 0.000 0.207 17 L C 2.857 179.561 176.870 -0.277 0.000 1.078 17 L CA 1.339 55.919 54.840 -0.433 0.000 0.749 17 L CB -0.489 40.922 42.059 -1.079 0.000 0.901 17 L HN 0.172 nan 8.230 nan 0.000 0.433 18 R N -0.230 120.166 120.500 -0.174 0.000 2.096 18 R HA -0.131 4.209 4.340 0.000 0.000 0.235 18 R C 2.195 178.506 176.300 0.019 0.000 1.127 18 R CA 1.014 57.140 56.100 0.044 0.000 0.968 18 R CB -0.205 30.139 30.300 0.074 0.000 0.861 18 R HN 0.246 nan 8.270 nan 0.000 0.440 19 I N 0.755 121.323 120.570 -0.003 0.000 2.202 19 I HA -0.172 3.999 4.170 0.000 0.000 0.242 19 I C 2.515 178.698 176.117 0.109 0.000 1.091 19 I CA 1.258 62.574 61.300 0.026 0.000 1.368 19 I CB -1.419 36.623 38.000 0.069 0.000 1.058 19 I HN 0.124 nan 8.210 nan 0.000 0.410 20 A N 0.103 122.985 122.820 0.105 0.000 1.902 20 A HA -0.155 4.165 4.320 0.000 0.000 0.217 20 A C 2.483 180.153 177.584 0.145 0.000 1.181 20 A CA 1.911 54.039 52.037 0.151 0.000 0.623 20 A CB -0.811 18.213 19.000 0.041 0.000 0.818 20 A HN 0.400 nan 8.150 nan 0.000 0.443 21 S N 0.103 115.858 115.700 0.092 0.000 2.547 21 S HA -0.033 4.437 4.470 0.000 0.000 0.235 21 S C 1.904 176.547 174.600 0.072 0.000 0.980 21 S CA 1.088 59.352 58.200 0.105 0.000 0.941 21 S CB -0.158 63.158 63.200 0.193 0.000 0.763 21 S HN 0.639 nan 8.310 nan 0.000 0.532 22 S N 0.419 116.134 115.700 0.025 0.000 2.456 22 S HA 0.278 4.748 4.470 0.000 0.000 0.224 22 S C 0.405 174.945 174.600 -0.100 0.000 1.035 22 S CA 0.009 58.163 58.200 -0.075 0.000 0.940 22 S CB -0.023 63.072 63.200 -0.176 0.000 0.799 22 S HN 0.361 nan 8.310 nan 0.000 0.508 23 F N 2.579 122.537 119.950 0.014 0.000 2.440 23 F HA 0.313 4.840 4.527 0.000 0.000 0.323 23 F C 0.982 176.789 175.800 0.012 0.000 1.192 23 F CA -0.390 57.613 58.000 0.004 0.000 1.252 23 F CB 0.448 39.440 39.000 -0.014 0.000 1.214 23 F HN -0.229 nan 8.300 nan 0.000 0.578 24 K N 1.177 121.729 120.400 0.253 0.000 2.118 24 K HA 0.162 4.482 4.320 0.000 0.000 0.264 24 K C 0.008 176.687 176.600 0.132 0.000 1.000 24 K CA -0.540 55.840 56.287 0.154 0.000 0.929 24 K CB 0.430 33.003 32.500 0.122 0.000 1.021 24 K HN 0.578 nan 8.250 nan 0.000 0.463 25 N N -0.408 118.366 118.700 0.123 0.000 2.710 25 N HA -0.172 4.568 4.740 0.000 0.000 0.249 25 N C -1.173 174.394 175.510 0.095 0.000 1.059 25 N CA 0.615 53.736 53.050 0.119 0.000 0.720 25 N CB -1.358 37.194 38.487 0.108 0.000 0.983 25 N HN 0.147 nan 8.380 nan 0.000 0.544 26 V N 0.442 120.421 119.914 0.108 0.000 2.444 26 V HA 0.238 4.358 4.120 0.000 0.000 0.294 26 V C 0.000 176.160 176.094 0.110 0.000 1.022 26 V CA -0.652 61.699 62.300 0.086 0.000 0.850 26 V CB 1.914 33.775 31.823 0.064 0.000 0.992 26 V HN 0.252 nan 8.190 nan 0.000 0.426 27 H N 2.708 121.801 119.070 0.037 0.000 2.551 27 H HA 0.623 5.179 4.556 0.000 0.000 0.321 27 H C 0.478 175.819 175.328 0.022 0.000 1.028 27 H CA 0.099 56.170 56.048 0.039 0.000 1.215 27 H CB 1.437 31.216 29.762 0.027 0.000 1.414 27 H HN 0.843 nan 8.280 nan 0.000 0.480 28 G N 4.475 113.250 108.800 -0.042 0.000 2.380 28 G HA2 0.367 4.327 3.960 0.000 0.000 0.262 28 G HA3 0.367 4.327 3.960 0.000 0.000 0.262 28 G C -0.688 174.247 174.900 0.059 0.000 1.243 28 G CA -0.497 44.600 45.100 -0.004 0.000 0.865 28 G HN 0.720 nan 8.290 nan 0.000 0.513 29 I N 2.286 122.900 120.570 0.072 0.000 2.447 29 I HA 0.523 4.693 4.170 0.000 0.000 0.287 29 I C -0.320 175.824 176.117 0.045 0.000 1.023 29 I CA -1.134 60.214 61.300 0.080 0.000 1.083 29 I CB 1.576 39.640 38.000 0.107 0.000 1.245 29 I HN 0.331 nan 8.210 nan 0.000 0.434 30 M N 7.210 126.824 119.600 0.024 0.000 2.157 30 M HA 0.255 4.735 4.480 0.000 0.000 0.354 30 M C -0.438 175.884 176.300 0.037 0.000 1.170 30 M CA -0.556 54.739 55.300 -0.008 0.000 1.060 30 M CB 0.793 33.340 32.600 -0.088 0.000 1.615 30 M HN 0.582 nan 8.290 nan 0.000 0.460 31 H N 3.691 122.738 119.070 -0.038 0.000 3.004 31 H HA 0.538 5.094 4.556 0.000 0.000 0.267 31 H C -1.463 173.840 175.328 -0.042 0.000 1.165 31 H CA -0.133 55.907 56.048 -0.013 0.000 1.450 31 H CB 0.164 29.938 29.762 0.020 0.000 1.488 31 H HN 0.816 nan 8.280 nan 0.000 0.478 32 A N 6.031 128.688 122.820 -0.271 0.000 2.605 32 A HA 0.443 4.763 4.320 0.000 0.000 0.294 32 A C -2.994 174.484 177.584 -0.177 0.000 1.062 32 A CA -1.456 50.440 52.037 -0.236 0.000 0.682 32 A CB 1.581 20.469 19.000 -0.186 0.000 1.278 32 A HN 0.476 nan 8.150 nan 0.000 0.410 33 P HA 0.352 nan 4.420 nan 0.000 0.274 33 P C -0.288 176.979 177.300 -0.055 0.000 1.260 33 P CA -0.450 62.597 63.100 -0.088 0.000 0.793 33 P CB 0.389 32.047 31.700 -0.070 0.000 1.048 34 L N 0.831 122.034 121.223 -0.033 0.000 2.500 34 L HA 0.364 4.704 4.340 0.000 0.000 0.272 34 L C 1.156 178.026 176.870 0.000 0.000 1.149 34 L CA 1.783 56.615 54.840 -0.013 0.000 0.897 34 L CB -1.144 40.909 42.059 -0.009 0.000 1.178 34 L HN 0.735 nan 8.230 nan 0.000 0.473 35 G N 2.791 111.602 108.800 0.019 0.000 2.380 35 G HA2 -0.233 3.727 3.960 0.000 0.000 0.197 35 G HA3 -0.233 3.727 3.960 0.000 0.000 0.197 35 G C 0.690 175.631 174.900 0.068 0.000 1.001 35 G CA 0.101 45.227 45.100 0.044 0.000 0.668 35 G HN 0.568 nan 8.290 nan 0.000 0.483 36 D N 1.821 122.243 120.400 0.036 0.000 2.390 36 D HA 0.134 4.774 4.640 0.000 0.000 0.235 36 D C 1.467 177.830 176.300 0.105 0.000 1.040 36 D CA 1.161 55.191 54.000 0.050 0.000 0.923 36 D CB -0.090 40.676 40.800 -0.057 0.000 0.886 36 D HN 0.683 nan 8.370 nan 0.000 0.532 37 D N -1.341 119.131 120.400 0.119 0.000 2.370 37 D HA -0.120 4.520 4.640 0.000 0.000 0.230 37 D C 1.258 177.670 176.300 0.187 0.000 1.143 37 D CA -0.425 53.659 54.000 0.140 0.000 0.834 37 D CB -0.816 40.035 40.800 0.085 0.000 0.944 37 D HN 0.197 nan 8.370 nan 0.000 0.504 38 Y N -0.052 120.312 120.300 0.106 0.000 2.571 38 Y HA -0.006 4.544 4.550 0.000 0.000 0.294 38 Y C 1.423 177.370 175.900 0.078 0.000 1.141 38 Y CA 0.331 58.474 58.100 0.071 0.000 1.308 38 Y CB -0.216 38.279 38.460 0.058 0.000 1.002 38 Y HN 0.064 nan 8.280 nan 0.000 0.551 39 F N 1.095 121.112 119.950 0.112 0.000 2.192 39 F HA -0.292 4.235 4.527 0.000 0.000 0.301 39 F C 1.697 177.460 175.800 -0.062 0.000 1.079 39 F CA 1.888 59.914 58.000 0.044 0.000 1.303 39 F CB -0.426 38.621 39.000 0.078 0.000 1.024 39 F HN 0.058 nan 8.300 nan 0.000 0.494 40 N N 0.145 118.753 118.700 -0.153 0.000 2.207 40 N HA -0.108 4.632 4.740 0.000 0.000 0.182 40 N C 2.137 177.452 175.510 -0.324 0.000 1.020 40 N CA 1.524 54.441 53.050 -0.222 0.000 0.858 40 N CB -0.850 37.617 38.487 -0.034 0.000 0.991 40 N HN 0.230 nan 8.380 nan 0.000 0.427 41 V N 1.864 121.550 119.914 -0.380 0.000 2.282 41 V HA -0.277 3.843 4.120 0.000 0.000 0.249 41 V C 2.332 178.126 176.094 -0.500 0.000 1.057 41 V CA 1.618 63.621 62.300 -0.495 0.000 1.032 41 V CB -0.470 30.846 31.823 -0.846 0.000 0.645 41 V HN 0.288 nan 8.190 nan 0.000 0.447 42 M N -1.465 117.801 119.600 -0.556 0.000 2.067 42 M HA -0.161 4.320 4.480 0.000 0.000 0.260 42 M C 2.491 178.519 176.300 -0.453 0.000 1.069 42 M CA 1.713 56.768 55.300 -0.409 0.000 1.117 42 M CB -0.549 31.894 32.600 -0.263 0.000 1.334 42 M HN 0.159 nan 8.290 nan 0.000 0.407 43 R N 0.395 120.516 120.500 -0.633 0.000 2.122 43 R HA -0.145 4.195 4.340 0.000 0.000 0.236 43 R C 2.225 178.285 176.300 -0.399 0.000 1.129 43 R CA 2.254 58.015 56.100 -0.566 0.000 0.925 43 R CB -1.069 28.838 30.300 -0.654 0.000 0.850 43 R HN 0.336 nan 8.270 nan 0.000 0.431 44 S N 0.983 116.482 115.700 -0.335 0.000 2.374 44 S HA -0.202 4.268 4.470 0.000 0.000 0.227 44 S C 1.836 176.288 174.600 -0.246 0.000 1.037 44 S CA 1.752 59.798 58.200 -0.256 0.000 1.024 44 S CB -0.265 62.811 63.200 -0.207 0.000 0.861 44 S HN 0.428 nan 8.310 nan 0.000 0.456 45 M N 0.733 120.178 119.600 -0.258 0.000 2.073 45 M HA -0.067 4.413 4.480 0.000 0.000 0.259 45 M C 1.644 177.798 176.300 -0.243 0.000 1.079 45 M CA 1.585 56.759 55.300 -0.210 0.000 1.131 45 M CB -0.284 32.208 32.600 -0.181 0.000 1.316 45 M HN 0.213 nan 8.290 nan 0.000 0.415 46 L N 0.949 121.969 121.223 -0.338 0.000 2.093 46 L HA -0.097 4.243 4.340 0.000 0.000 0.208 46 L C 2.213 178.601 176.870 -0.804 0.000 1.085 46 L CA 1.726 56.248 54.840 -0.529 0.000 0.755 46 L CB -1.093 40.553 42.059 -0.689 0.000 0.904 46 L HN 0.428 nan 8.230 nan 0.000 0.435 47 E N -0.672 119.123 120.200 -0.675 0.000 2.474 47 E HA 0.022 4.373 4.350 0.000 0.000 0.195 47 E C 0.216 176.647 176.600 -0.281 0.000 1.039 47 E CA -0.258 55.827 56.400 -0.527 0.000 0.881 47 E CB 0.199 29.644 29.700 -0.426 0.000 0.970 47 E HN 0.229 nan 8.360 nan 0.000 0.486 48 R N 2.207 122.559 120.500 -0.246 0.000 3.092 48 R HA -0.194 4.146 4.340 0.000 0.000 0.245 48 R C -0.571 175.637 176.300 -0.153 0.000 0.881 48 R CA 0.279 56.280 56.100 -0.165 0.000 0.614 48 R CB -1.177 29.054 30.300 -0.114 0.000 1.128 48 R HN 0.053 nan 8.270 nan 0.000 0.483 49 E N 0.484 120.578 120.200 -0.177 0.000 2.313 49 E HA 0.083 4.433 4.350 0.000 0.000 0.276 49 E C 0.738 177.237 176.600 -0.169 0.000 1.031 49 E CA -0.173 56.130 56.400 -0.162 0.000 0.857 49 E CB 0.775 30.372 29.700 -0.170 0.000 1.040 49 E HN 0.345 nan 8.360 nan 0.000 0.408 50 R N 2.519 122.930 120.500 -0.148 0.000 2.210 50 R HA 0.129 4.469 4.340 0.000 0.000 0.203 50 R C -0.213 175.948 176.300 -0.232 0.000 1.010 50 R CA 0.279 56.279 56.100 -0.167 0.000 1.008 50 R CB 0.373 30.606 30.300 -0.111 0.000 0.923 50 R HN 0.535 nan 8.270 nan 0.000 0.469 51 D N 0.120 120.404 120.400 -0.195 0.000 2.181 51 D HA 0.160 4.800 4.640 0.000 0.000 0.248 51 D C -0.407 175.759 176.300 -0.223 0.000 1.020 51 D CA -0.459 53.421 54.000 -0.200 0.000 0.891 51 D CB 1.169 41.935 40.800 -0.056 0.000 1.187 51 D HN -0.239 nan 8.370 nan 0.000 0.443 52 F N 0.684 120.627 119.950 -0.012 0.000 2.629 52 F HA -0.034 4.493 4.527 0.000 0.000 0.369 52 F C 1.754 177.543 175.800 -0.018 0.000 1.125 52 F CA 0.412 58.404 58.000 -0.014 0.000 1.330 52 F CB 0.080 39.088 39.000 0.013 0.000 1.071 52 F HN -0.046 nan 8.300 nan 0.000 0.595 53 T N 5.403 120.049 114.554 0.152 0.000 2.761 53 T HA 0.161 4.511 4.350 0.000 0.000 0.296 53 T C -2.041 172.689 174.700 0.050 0.000 0.934 53 T CA -1.016 61.127 62.100 0.072 0.000 1.091 53 T CB 0.564 69.447 68.868 0.025 0.000 0.896 53 T HN 0.277 nan 8.240 nan 0.000 0.515 54 P HA 0.260 nan 4.420 nan 0.000 0.226 54 P C -1.009 175.880 177.300 -0.685 0.000 1.783 54 P CA -0.075 62.778 63.100 -0.412 0.000 0.980 54 P CB -0.214 31.318 31.700 -0.280 0.000 1.967 55 V N 1.198 120.939 119.914 -0.287 0.000 2.612 55 V HA 0.344 4.465 4.120 0.000 0.000 0.301 55 V C 0.037 176.155 176.094 0.039 0.000 1.059 55 V CA -0.219 62.015 62.300 -0.111 0.000 0.886 55 V CB 2.398 34.254 31.823 0.056 0.000 1.007 55 V HN 0.168 nan 8.190 nan 0.000 0.426 56 T N 2.944 117.563 114.554 0.108 0.000 2.930 56 T HA 0.825 5.176 4.350 0.000 0.000 0.290 56 T C -0.215 174.529 174.700 0.073 0.000 1.052 56 T CA -0.523 61.652 62.100 0.125 0.000 1.017 56 T CB 2.062 71.039 68.868 0.182 0.000 1.137 56 T HN 0.917 nan 8.240 nan 0.000 0.511 57 A N 1.281 124.129 122.820 0.047 0.000 2.287 57 A HA 0.660 4.980 4.320 0.000 0.000 0.317 57 A C 0.253 177.852 177.584 0.025 0.000 1.220 57 A CA -0.641 51.409 52.037 0.022 0.000 0.835 57 A CB 0.796 19.798 19.000 0.004 0.000 1.180 57 A HN 0.668 nan 8.150 nan 0.000 0.500 58 S N 3.832 119.557 115.700 0.042 0.000 2.405 58 S HA 0.352 4.822 4.470 0.000 0.000 0.291 58 S C 0.245 174.861 174.600 0.027 0.000 1.137 58 S CA -0.433 57.800 58.200 0.056 0.000 1.061 58 S CB -0.690 62.579 63.200 0.115 0.000 1.001 58 S HN 0.504 nan 8.310 nan 0.000 0.507 59 I N 4.952 125.524 120.570 0.003 0.000 2.634 59 I HA 0.125 4.295 4.170 0.000 0.000 0.284 59 I C -0.158 175.932 176.117 -0.045 0.000 1.124 59 I CA -0.380 60.902 61.300 -0.030 0.000 1.417 59 I CB 1.239 39.227 38.000 -0.020 0.000 1.396 59 I HN 0.305 nan 8.210 nan 0.000 0.571 60 V N 5.711 125.561 119.914 -0.107 0.000 2.311 60 V HA 0.188 4.308 4.120 0.000 0.000 0.275 60 V C -0.426 175.635 176.094 -0.055 0.000 1.022 60 V CA -0.614 61.617 62.300 -0.115 0.000 0.830 60 V CB 1.095 32.768 31.823 -0.250 0.000 1.012 60 V HN 0.771 nan 8.190 nan 0.000 0.452 61 D N 3.506 123.901 120.400 -0.008 0.000 2.467 61 D HA 0.440 5.080 4.640 0.000 0.000 0.245 61 D C 0.938 177.256 176.300 0.030 0.000 1.038 61 D CA -1.128 52.877 54.000 0.008 0.000 1.038 61 D CB 1.005 41.816 40.800 0.018 0.000 1.278 61 D HN -0.041 nan 8.370 nan 0.000 0.564 62 R N -0.873 119.646 120.500 0.032 0.000 2.178 62 R HA -0.231 4.109 4.340 0.000 0.000 0.257 62 R C 1.599 177.935 176.300 0.060 0.000 1.163 62 R CA 1.780 57.902 56.100 0.037 0.000 0.981 62 R CB -1.135 29.186 30.300 0.035 0.000 0.878 62 R HN 0.683 nan 8.270 nan 0.000 0.454 63 H N -0.901 118.164 119.070 -0.008 0.000 2.567 63 H HA 0.054 4.610 4.556 0.000 0.000 0.276 63 H C 1.249 176.577 175.328 -0.001 0.000 1.016 63 H CA 0.743 56.787 56.048 -0.007 0.000 1.186 63 H CB 0.238 29.993 29.762 -0.011 0.000 1.351 63 H HN 0.006 nan 8.280 nan 0.000 0.605 64 V N -0.138 119.789 119.914 0.022 0.000 2.341 64 V HA -0.158 3.962 4.120 0.000 0.000 0.240 64 V C 2.221 178.307 176.094 -0.013 0.000 1.035 64 V CA 1.116 63.423 62.300 0.011 0.000 1.033 64 V CB -0.425 31.425 31.823 0.045 0.000 0.678 64 V HN 0.527 nan 8.190 nan 0.000 0.464 65 L N 1.426 122.645 121.223 -0.006 0.000 2.256 65 L HA -0.158 4.182 4.340 0.000 0.000 0.218 65 L C 1.562 178.409 176.870 -0.039 0.000 1.089 65 L CA 2.184 57.017 54.840 -0.012 0.000 0.777 65 L CB -1.698 40.355 42.059 -0.010 0.000 0.890 65 L HN 0.188 nan 8.230 nan 0.000 0.439 66 A N 0.161 122.925 122.820 -0.093 0.000 3.215 66 A HA 0.505 4.825 4.320 0.000 0.000 0.269 66 A C 1.284 178.778 177.584 -0.151 0.000 1.517 66 A CA 0.075 52.032 52.037 -0.134 0.000 1.221 66 A CB -0.814 18.065 19.000 -0.202 0.000 1.160 66 A HN 0.503 nan 8.150 nan 0.000 0.620 67 R N -0.558 119.897 120.500 -0.076 0.000 4.000 67 R HA -0.200 4.140 4.340 0.000 0.000 0.348 67 R C 0.785 177.044 176.300 -0.069 0.000 1.204 67 R CA 1.126 57.194 56.100 -0.054 0.000 0.987 67 R CB -1.998 28.268 30.300 -0.057 0.000 1.446 67 R HN 1.016 nan 8.270 nan 0.000 0.555 68 G N -0.373 108.377 108.800 -0.082 0.000 2.418 68 G HA2 0.181 4.141 3.960 0.000 0.000 0.276 68 G HA3 0.181 4.141 3.960 0.000 0.000 0.276 68 G C 0.670 175.588 174.900 0.030 0.000 1.442 68 G CA 1.003 46.082 45.100 -0.034 0.000 1.066 68 G HN 1.100 nan 8.290 nan 0.000 0.553 69 S N -2.275 113.492 115.700 0.111 0.000 3.270 69 S HA -0.320 4.151 4.470 0.000 0.000 0.330 69 S C 0.900 175.556 174.600 0.093 0.000 1.222 69 S CA 2.198 60.590 58.200 0.319 0.000 0.971 69 S CB -2.097 61.421 63.200 0.529 0.000 1.007 69 S HN 1.617 nan 8.310 nan 0.000 0.614 70 Q N -1.227 118.480 119.800 -0.154 0.000 1.859 70 Q HA 0.312 4.652 4.340 0.000 0.000 0.180 70 Q C 0.542 176.049 176.000 -0.822 0.000 0.765 70 Q CA 0.189 55.566 55.803 -0.710 0.000 0.888 70 Q CB 0.139 28.641 28.738 -0.393 0.000 1.230 70 Q HN 0.587 nan 8.270 nan 0.000 0.402 71 E N 0.618 120.588 120.200 -0.383 0.000 2.444 71 E HA 0.207 4.557 4.350 0.000 0.000 0.209 71 E C 1.396 177.897 176.600 -0.164 0.000 0.806 71 E CA -0.122 56.118 56.400 -0.267 0.000 1.240 71 E CB 0.113 29.722 29.700 -0.151 0.000 1.238 71 E HN 0.101 nan 8.360 nan 0.000 0.591 72 K N 1.211 121.550 120.400 -0.102 0.000 2.167 72 K HA 0.064 4.384 4.320 0.000 0.000 0.203 72 K C 1.947 178.520 176.600 -0.045 0.000 1.052 72 K CA 1.103 57.362 56.287 -0.047 0.000 0.956 72 K CB 0.055 32.554 32.500 -0.000 0.000 0.735 72 K HN -0.003 nan 8.250 nan 0.000 0.451 73 V N 1.342 121.216 119.914 -0.066 0.000 2.332 73 V HA -0.217 3.903 4.120 0.000 0.000 0.248 73 V C 2.340 178.415 176.094 -0.031 0.000 1.055 73 V CA 1.470 63.760 62.300 -0.017 0.000 1.038 73 V CB -0.442 31.390 31.823 0.014 0.000 0.651 73 V HN 0.043 nan 8.190 nan 0.000 0.450 74 V N 0.130 119.979 119.914 -0.109 0.000 2.307 74 V HA -0.230 3.891 4.120 0.000 0.000 0.245 74 V C 2.260 178.327 176.094 -0.045 0.000 1.045 74 V CA 2.221 64.484 62.300 -0.062 0.000 1.024 74 V CB -0.637 31.127 31.823 -0.099 0.000 0.651 74 V HN 0.520 nan 8.190 nan 0.000 0.449 75 D N 0.103 120.469 120.400 -0.058 0.000 2.117 75 D HA -0.135 4.505 4.640 0.000 0.000 0.197 75 D C 2.064 178.341 176.300 -0.038 0.000 0.987 75 D CA 1.388 55.360 54.000 -0.045 0.000 0.829 75 D CB -0.348 40.424 40.800 -0.046 0.000 0.961 75 D HN 0.530 nan 8.370 nan 0.000 0.460 76 N N -0.212 118.471 118.700 -0.029 0.000 2.270 76 N HA -0.007 4.733 4.740 0.000 0.000 0.181 76 N C 1.827 177.320 175.510 -0.029 0.000 1.016 76 N CA 0.215 53.250 53.050 -0.024 0.000 0.870 76 N CB 0.279 38.764 38.487 -0.003 0.000 0.979 76 N HN 0.168 nan 8.380 nan 0.000 0.431 77 I N 1.177 121.737 120.570 -0.017 0.000 2.252 77 I HA -0.227 3.943 4.170 0.000 0.000 0.245 77 I C 2.371 178.465 176.117 -0.038 0.000 1.102 77 I CA 1.043 62.333 61.300 -0.016 0.000 1.385 77 I CB -0.068 37.936 38.000 0.007 0.000 1.064 77 I HN 0.172 nan 8.210 nan 0.000 0.414 78 I N 0.755 121.303 120.570 -0.036 0.000 2.277 78 I HA -0.283 3.887 4.170 0.000 0.000 0.243 78 I C 2.837 178.914 176.117 -0.067 0.000 1.094 78 I CA 1.104 62.379 61.300 -0.041 0.000 1.393 78 I CB -0.156 37.826 38.000 -0.029 0.000 1.078 78 I HN 0.149 nan 8.210 nan 0.000 0.417 79 R N 1.010 121.468 120.500 -0.070 0.000 2.096 79 R HA -0.236 4.104 4.340 0.000 0.000 0.240 79 R C 2.230 178.449 176.300 -0.135 0.000 1.139 79 R CA 1.641 57.687 56.100 -0.090 0.000 0.952 79 R CB -0.197 30.058 30.300 -0.074 0.000 0.854 79 R HN 0.161 nan 8.270 nan 0.000 0.436 80 K N 0.704 121.016 120.400 -0.147 0.000 2.097 80 K HA -0.178 4.142 4.320 0.000 0.000 0.206 80 K C 1.718 178.174 176.600 -0.240 0.000 1.049 80 K CA 1.795 57.936 56.287 -0.243 0.000 0.933 80 K CB -0.552 31.773 32.500 -0.291 0.000 0.717 80 K HN 0.378 nan 8.250 nan 0.000 0.442 81 D N 0.153 120.460 120.400 -0.154 0.000 2.092 81 D HA -0.157 4.483 4.640 0.000 0.000 0.193 81 D C 1.794 177.973 176.300 -0.201 0.000 0.994 81 D CA 2.589 56.518 54.000 -0.118 0.000 0.828 81 D CB 0.010 40.779 40.800 -0.052 0.000 0.963 81 D HN 0.323 nan 8.370 nan 0.000 0.450 82 T N -2.416 112.010 114.554 -0.213 0.000 2.812 82 T HA -0.046 4.304 4.350 0.000 0.000 0.264 82 T C 1.844 176.225 174.700 -0.530 0.000 1.042 82 T CA 1.118 63.040 62.100 -0.298 0.000 1.140 82 T CB -0.497 68.289 68.868 -0.136 0.000 0.870 82 T HN 0.223 nan 8.240 nan 0.000 0.445 83 E N 0.958 120.946 120.200 -0.354 0.000 2.072 83 E HA -0.061 4.289 4.350 0.000 0.000 0.191 83 E C 2.099 178.504 176.600 -0.326 0.000 0.985 83 E CA 1.264 57.489 56.400 -0.292 0.000 0.801 83 E CB -0.011 29.572 29.700 -0.195 0.000 0.750 83 E HN 0.517 nan 8.360 nan 0.000 0.452 84 E N -0.997 119.005 120.200 -0.329 0.000 2.490 84 E HA 0.018 4.368 4.350 0.000 0.000 0.209 84 E C -0.799 175.780 176.600 -0.035 0.000 0.971 84 E CA -0.082 56.224 56.400 -0.156 0.000 0.988 84 E CB 0.445 30.047 29.700 -0.164 0.000 1.029 84 E HN 0.196 nan 8.360 nan 0.000 0.496 85 H N -0.304 118.754 119.070 -0.020 0.000 2.592 85 H HA -0.132 4.424 4.556 0.000 0.000 0.323 85 H C -2.187 173.161 175.328 0.033 0.000 1.117 85 H CA 0.786 56.840 56.048 0.009 0.000 1.120 85 H CB -1.548 28.227 29.762 0.021 0.000 1.561 85 H HN 0.305 nan 8.280 nan 0.000 0.409 86 P HA 0.086 nan 4.420 nan 0.000 0.276 86 P C 0.993 178.358 177.300 0.108 0.000 1.252 86 P CA -0.440 62.729 63.100 0.115 0.000 0.802 86 P CB 1.212 32.978 31.700 0.109 0.000 1.035 87 D N -0.442 120.011 120.400 0.089 0.000 2.178 87 D HA -0.021 4.619 4.640 0.000 0.000 0.202 87 D C 0.498 176.834 176.300 0.060 0.000 0.974 87 D CA 1.548 55.586 54.000 0.063 0.000 0.841 87 D CB 0.139 40.905 40.800 -0.056 0.000 0.953 87 D HN 0.152 nan 8.370 nan 0.000 0.478 88 L N 0.017 121.260 121.223 0.032 0.000 2.482 88 L HA 0.430 4.770 4.340 0.000 0.000 0.263 88 L C -1.684 175.201 176.870 0.025 0.000 0.957 88 L CA -0.526 54.329 54.840 0.024 0.000 0.836 88 L CB 2.284 44.333 42.059 -0.018 0.000 1.324 88 L HN -0.256 nan 8.230 nan 0.000 0.406 89 I N 4.432 125.007 120.570 0.008 0.000 2.569 89 I HA 0.634 4.804 4.170 0.000 0.000 0.296 89 I C -1.062 175.044 176.117 -0.018 0.000 1.028 89 I CA -1.017 60.302 61.300 0.031 0.000 1.082 89 I CB 2.302 40.319 38.000 0.030 0.000 1.264 89 I HN 0.287 nan 8.210 nan 0.000 0.429 90 V N 6.175 126.089 119.914 0.001 0.000 2.409 90 V HA 0.291 4.411 4.120 0.000 0.000 0.290 90 V C -0.405 175.683 176.094 -0.010 0.000 1.017 90 V CA -0.612 61.670 62.300 -0.030 0.000 0.841 90 V CB 1.719 33.526 31.823 -0.026 0.000 1.003 90 V HN 0.398 nan 8.190 nan 0.000 0.426 91 L N 5.082 126.293 121.223 -0.019 0.000 2.380 91 L HA 0.602 4.943 4.340 0.000 0.000 0.273 91 L C 0.343 177.212 176.870 -0.003 0.000 1.138 91 L CA 1.133 55.973 54.840 0.002 0.000 0.832 91 L CB 1.374 43.432 42.059 -0.002 0.000 1.124 91 L HN 0.717 nan 8.230 nan 0.000 0.454 92 T N 6.819 121.383 114.554 0.016 0.000 2.892 92 T HA 0.447 4.797 4.350 0.000 0.000 0.311 92 T C -2.649 172.066 174.700 0.026 0.000 1.033 92 T CA -0.963 61.141 62.100 0.007 0.000 0.991 92 T CB 1.368 70.225 68.868 -0.020 0.000 0.981 92 T HN 0.417 nan 8.240 nan 0.000 0.457 93 P HA 0.321 nan 4.420 nan 0.000 0.279 93 P C 0.201 177.541 177.300 0.068 0.000 1.239 93 P CA -0.260 62.882 63.100 0.069 0.000 0.789 93 P CB 0.884 32.620 31.700 0.060 0.000 0.933 94 T N -1.373 113.211 114.554 0.050 0.000 2.708 94 T HA 0.216 4.566 4.350 0.000 0.000 0.256 94 T C 1.422 176.131 174.700 0.015 0.000 0.946 94 T CA 0.017 62.138 62.100 0.036 0.000 1.039 94 T CB 0.023 68.803 68.868 -0.146 0.000 1.557 94 T HN 0.532 nan 8.240 nan 0.000 0.576 95 C N -0.555 118.644 119.300 -0.169 0.000 2.495 95 C HA 0.205 4.665 4.460 0.000 0.000 0.275 95 C C 2.540 177.443 174.990 -0.144 0.000 1.392 95 C CA 0.766 59.480 59.018 -0.506 0.000 1.766 95 C CB -1.905 25.189 27.740 -1.077 0.000 1.933 95 C HN 0.849 nan 8.230 nan 0.000 0.519 96 T N 2.081 116.582 114.554 -0.089 0.000 2.814 96 T HA -0.051 4.299 4.350 0.000 0.000 0.254 96 T C 2.124 176.842 174.700 0.031 0.000 1.037 96 T CA 1.978 64.055 62.100 -0.039 0.000 1.143 96 T CB -0.442 68.373 68.868 -0.089 0.000 0.866 96 T HN 0.674 nan 8.240 nan 0.000 0.431 97 S N 1.687 117.432 115.700 0.074 0.000 2.423 97 S HA -0.156 4.314 4.470 0.000 0.000 0.238 97 S C 2.232 176.918 174.600 0.142 0.000 1.028 97 S CA 1.241 59.580 58.200 0.232 0.000 1.000 97 S CB -0.526 62.837 63.200 0.271 0.000 0.797 97 S HN 0.425 nan 8.310 nan 0.000 0.487 98 S N 1.386 117.157 115.700 0.117 0.000 2.406 98 S HA 0.069 4.539 4.470 0.000 0.000 0.228 98 S C 1.521 176.188 174.600 0.112 0.000 1.020 98 S CA 0.894 59.181 58.200 0.146 0.000 0.965 98 S CB -0.323 63.030 63.200 0.256 0.000 0.798 98 S HN 0.709 nan 8.310 nan 0.000 0.488 99 I N -1.912 118.712 120.570 0.090 0.000 3.941 99 I HA 0.370 4.540 4.170 0.000 0.000 0.335 99 I C 0.805 176.945 176.117 0.039 0.000 1.402 99 I CA 0.120 61.446 61.300 0.044 0.000 1.112 99 I CB 0.090 38.106 38.000 0.027 0.000 1.043 99 I HN 0.132 nan 8.210 nan 0.000 0.395 100 L N 0.265 121.525 121.223 0.063 0.000 2.575 100 L HA 0.271 4.611 4.340 0.000 0.000 0.228 100 L C 0.736 177.639 176.870 0.054 0.000 1.075 100 L CA 0.095 54.975 54.840 0.067 0.000 0.867 100 L CB -0.157 41.971 42.059 0.115 0.000 1.097 100 L HN 0.290 nan 8.230 nan 0.000 0.485 101 Q N 1.073 120.901 119.800 0.046 0.000 2.453 101 Q HA -0.202 4.138 4.340 0.000 0.000 0.294 101 Q C -0.410 175.589 176.000 -0.002 0.000 1.295 101 Q CA 0.675 56.488 55.803 0.016 0.000 0.853 101 Q CB -1.673 27.069 28.738 0.007 0.000 1.193 101 Q HN 0.592 nan 8.270 nan 0.000 0.461 102 E N 0.375 120.574 120.200 -0.002 0.000 2.318 102 E HA 0.169 4.520 4.350 0.000 0.000 0.265 102 E C -0.012 176.487 176.600 -0.168 0.000 1.069 102 E CA -0.757 55.639 56.400 -0.007 0.000 0.893 102 E CB 0.564 30.324 29.700 0.101 0.000 1.076 102 E HN 0.015 nan 8.360 nan 0.000 0.414 103 D N 2.162 122.421 120.400 -0.235 0.000 2.662 103 D HA 0.008 4.648 4.640 0.000 0.000 0.228 103 D C 0.771 176.461 176.300 -1.017 0.000 1.093 103 D CA 0.264 54.003 54.000 -0.434 0.000 1.075 103 D CB -0.182 40.467 40.800 -0.252 0.000 1.122 103 D HN 0.414 nan 8.370 nan 0.000 0.475 104 L N 0.714 121.464 121.223 -0.788 0.000 2.083 104 L HA -0.174 4.166 4.340 0.000 0.000 0.209 104 L C 2.357 178.847 176.870 -0.634 0.000 1.083 104 L CA 0.770 55.092 54.840 -0.864 0.000 0.752 104 L CB -0.308 41.525 42.059 -0.378 0.000 0.899 104 L HN 0.309 nan 8.230 nan 0.000 0.433 105 Q N 0.117 119.676 119.800 -0.402 0.000 2.248 105 Q HA -0.244 4.096 4.340 0.000 0.000 0.208 105 Q C 1.859 177.722 176.000 -0.228 0.000 0.984 105 Q CA 1.626 57.283 55.803 -0.244 0.000 0.875 105 Q CB -0.287 28.349 28.738 -0.171 0.000 0.910 105 Q HN 0.494 nan 8.270 nan 0.000 0.433 106 N N -0.410 118.085 118.700 -0.343 0.000 2.173 106 N HA -0.091 4.649 4.740 0.000 0.000 0.184 106 N C 1.361 176.871 175.510 0.001 0.000 1.025 106 N CA 0.942 53.891 53.050 -0.168 0.000 0.852 106 N CB -0.122 38.281 38.487 -0.140 0.000 0.998 106 N HN 0.056 nan 8.380 nan 0.000 0.427 107 F N 0.380 120.302 119.950 -0.048 0.000 2.134 107 F HA -0.032 4.496 4.527 0.000 0.000 0.299 107 F C 2.429 178.204 175.800 -0.042 0.000 1.097 107 F CA 0.350 58.322 58.000 -0.047 0.000 1.264 107 F CB -1.310 37.652 39.000 -0.063 0.000 1.001 107 F HN -0.120 nan 8.300 nan 0.000 0.479 108 V N 0.453 120.410 119.914 0.072 0.000 2.287 108 V HA -0.322 3.799 4.120 0.000 0.000 0.248 108 V C 2.670 178.771 176.094 0.012 0.000 1.053 108 V CA 2.223 64.531 62.300 0.014 0.000 1.027 108 V CB -0.713 31.081 31.823 -0.049 0.000 0.646 108 V HN 0.249 nan 8.190 nan 0.000 0.447 109 R N -0.341 120.161 120.500 0.003 0.000 2.083 109 R HA -0.172 4.169 4.340 0.000 0.000 0.237 109 R C 2.579 178.900 176.300 0.035 0.000 1.137 109 R CA 1.760 57.867 56.100 0.012 0.000 0.951 109 R CB -0.180 30.121 30.300 0.001 0.000 0.851 109 R HN 0.450 nan 8.270 nan 0.000 0.434 110 R N -0.289 120.249 120.500 0.062 0.000 2.061 110 R HA -0.050 4.290 4.340 0.000 0.000 0.230 110 R C 2.408 178.737 176.300 0.048 0.000 1.140 110 R CA 1.289 57.426 56.100 0.062 0.000 0.940 110 R CB -0.556 29.799 30.300 0.090 0.000 0.839 110 R HN 0.266 nan 8.270 nan 0.000 0.429 111 A N 1.544 124.399 122.820 0.058 0.000 1.917 111 A HA -0.226 4.095 4.320 0.000 0.000 0.219 111 A C 2.188 179.788 177.584 0.027 0.000 1.182 111 A CA 2.210 54.270 52.037 0.037 0.000 0.633 111 A CB -0.717 18.310 19.000 0.045 0.000 0.819 111 A HN 0.499 nan 8.150 nan 0.000 0.448 112 S N -0.635 115.080 115.700 0.027 0.000 2.595 112 S HA 0.064 4.534 4.470 0.000 0.000 0.235 112 S C 1.510 176.129 174.600 0.031 0.000 0.974 112 S CA 1.095 59.311 58.200 0.026 0.000 0.942 112 S CB -0.540 62.674 63.200 0.023 0.000 0.766 112 S HN 0.470 nan 8.310 nan 0.000 0.536 113 L N 0.592 121.832 121.223 0.028 0.000 2.375 113 L HA 0.192 4.532 4.340 0.000 0.000 0.215 113 L C 1.992 178.876 176.870 0.023 0.000 1.108 113 L CA 0.628 55.483 54.840 0.026 0.000 0.830 113 L CB -0.143 41.930 42.059 0.023 0.000 0.959 113 L HN 0.314 nan 8.230 nan 0.000 0.457 114 S N -1.658 114.055 115.700 0.020 0.000 2.523 114 S HA 0.055 4.526 4.470 0.000 0.000 0.217 114 S C 0.764 175.374 174.600 0.017 0.000 0.996 114 S CA -0.010 58.200 58.200 0.015 0.000 0.921 114 S CB 0.281 63.486 63.200 0.008 0.000 0.829 114 S HN 0.480 nan 8.310 nan 0.000 0.495 115 T N -0.602 113.966 114.554 0.022 0.000 2.823 115 T HA 0.378 4.728 4.350 0.000 0.000 0.279 115 T C 0.946 175.672 174.700 0.045 0.000 0.998 115 T CA -0.457 61.658 62.100 0.026 0.000 0.994 115 T CB 1.542 70.421 68.868 0.019 0.000 0.960 115 T HN -0.127 nan 8.240 nan 0.000 0.448 116 T N 2.197 116.786 114.554 0.057 0.000 2.788 116 T HA 0.140 4.490 4.350 0.000 0.000 0.268 116 T C 1.255 176.008 174.700 0.088 0.000 1.044 116 T CA 1.137 63.283 62.100 0.077 0.000 1.139 116 T CB -0.518 68.407 68.868 0.096 0.000 0.867 116 T HN 1.002 nan 8.240 nan 0.000 0.454 117 A N 2.017 124.883 122.820 0.077 0.000 2.407 117 A HA 0.278 4.598 4.320 0.000 0.000 0.248 117 A C 0.195 177.822 177.584 0.073 0.000 1.082 117 A CA -0.522 51.563 52.037 0.080 0.000 0.785 117 A CB 0.148 19.181 19.000 0.056 0.000 1.020 117 A HN 0.212 nan 8.150 nan 0.000 0.489 118 D N 0.076 120.534 120.400 0.097 0.000 2.368 118 D HA 0.403 5.043 4.640 0.000 0.000 0.240 118 D C -0.421 175.854 176.300 -0.042 0.000 1.169 118 D CA 0.551 54.588 54.000 0.062 0.000 0.906 118 D CB 1.268 42.145 40.800 0.127 0.000 1.187 118 D HN 0.167 nan 8.370 nan 0.000 0.435 119 V N 2.505 122.351 119.914 -0.114 0.000 2.760 119 V HA 0.473 4.593 4.120 0.000 0.000 0.309 119 V C -0.002 175.955 176.094 -0.229 0.000 1.077 119 V CA -0.711 61.514 62.300 -0.126 0.000 0.910 119 V CB 2.030 33.823 31.823 -0.050 0.000 1.008 119 V HN 0.336 nan 8.190 nan 0.000 0.424 120 L N 3.927 125.019 121.223 -0.218 0.000 2.359 120 L HA 0.674 5.014 4.340 0.000 0.000 0.256 120 L C -1.271 175.518 176.870 -0.136 0.000 1.026 120 L CA -0.918 53.780 54.840 -0.236 0.000 0.828 120 L CB 2.462 44.326 42.059 -0.325 0.000 1.406 120 L HN 0.524 nan 8.230 nan 0.000 0.413 121 L N 1.526 122.678 121.223 -0.119 0.000 2.313 121 L HA 0.730 5.070 4.340 0.000 0.000 0.283 121 L C 0.053 176.878 176.870 -0.075 0.000 1.013 121 L CA -0.088 54.700 54.840 -0.086 0.000 0.816 121 L CB 1.589 43.593 42.059 -0.093 0.000 1.236 121 L HN 0.658 nan 8.230 nan 0.000 0.419 122 A N 3.180 125.969 122.820 -0.053 0.000 2.515 122 A HA 0.101 4.421 4.320 0.000 0.000 0.263 122 A C 0.103 177.667 177.584 -0.034 0.000 1.096 122 A CA 0.009 52.022 52.037 -0.040 0.000 0.769 122 A CB -0.380 18.606 19.000 -0.023 0.000 1.040 122 A HN 0.792 nan 8.150 nan 0.000 0.505 123 D N 2.747 123.126 120.400 -0.036 0.000 2.545 123 D HA 0.346 4.986 4.640 0.000 0.000 0.227 123 D C -0.610 175.678 176.300 -0.020 0.000 1.150 123 D CA 0.566 54.548 54.000 -0.028 0.000 1.046 123 D CB -0.305 40.477 40.800 -0.029 0.000 1.098 123 D HN 0.136 nan 8.370 nan 0.000 0.502 124 V N 2.943 122.849 119.914 -0.012 0.000 2.969 124 V HA 0.415 4.535 4.120 0.000 0.000 0.304 124 V C -0.827 175.277 176.094 0.017 0.000 1.192 124 V CA -1.071 61.224 62.300 -0.009 0.000 0.962 124 V CB 2.414 34.229 31.823 -0.013 0.000 1.045 124 V HN 0.422 nan 8.190 nan 0.000 0.428 125 N N 1.242 119.955 118.700 0.022 0.000 2.500 125 N HA 0.285 5.025 4.740 0.000 0.000 0.291 125 N C 0.494 176.044 175.510 0.068 0.000 1.092 125 N CA -0.395 52.698 53.050 0.072 0.000 0.890 125 N CB 1.600 40.131 38.487 0.074 0.000 1.466 125 N HN 0.837 nan 8.380 nan 0.000 0.507 126 H N 3.177 122.244 119.070 -0.004 0.000 2.394 126 H HA -0.160 4.396 4.556 0.000 0.000 0.297 126 H C 0.243 175.429 175.328 -0.238 0.000 1.113 126 H CA 2.357 58.314 56.048 -0.151 0.000 1.277 126 H CB 0.288 29.899 29.762 -0.251 0.000 1.370 126 H HN 0.617 nan 8.280 nan 0.000 0.506 127 Y N -0.919 119.434 120.300 0.089 0.000 2.466 127 Y HA 0.162 4.712 4.550 0.000 0.000 0.272 127 Y C 1.458 177.356 175.900 -0.004 0.000 1.169 127 Y CA -0.120 58.015 58.100 0.058 0.000 1.285 127 Y CB 0.581 39.106 38.460 0.108 0.000 1.078 127 Y HN 0.141 nan 8.280 nan 0.000 0.523 128 R N -0.608 119.931 120.500 0.065 0.000 2.435 128 R HA 0.269 4.609 4.340 0.000 0.000 0.221 128 R C -0.017 176.254 176.300 -0.049 0.000 0.885 128 R CA 0.473 56.589 56.100 0.028 0.000 1.018 128 R CB 0.033 30.358 30.300 0.041 0.000 1.259 128 R HN 0.080 nan 8.270 nan 0.000 0.597 129 V N 0.550 120.399 119.914 -0.109 0.000 3.007 129 V HA 0.593 4.714 4.120 0.000 0.000 0.311 129 V C -0.639 175.321 176.094 -0.224 0.000 1.120 129 V CA -1.439 60.756 62.300 -0.174 0.000 0.980 129 V CB 2.211 33.940 31.823 -0.157 0.000 1.033 129 V HN 0.182 nan 8.190 nan 0.000 0.429 130 N N 0.593 119.144 118.700 -0.248 0.000 2.681 130 N HA 0.300 5.041 4.740 0.000 0.000 0.311 130 N C 0.950 176.347 175.510 -0.190 0.000 1.303 130 N CA -0.011 52.909 53.050 -0.217 0.000 0.926 130 N CB 0.381 38.783 38.487 -0.142 0.000 1.136 130 N HN 0.909 nan 8.380 nan 0.000 0.592 131 E N -0.817 119.295 120.200 -0.146 0.000 2.058 131 E HA -0.191 4.159 4.350 0.000 0.000 0.194 131 E C 1.338 177.889 176.600 -0.083 0.000 0.997 131 E CA 1.256 57.588 56.400 -0.113 0.000 0.801 131 E CB -0.126 29.525 29.700 -0.081 0.000 0.746 131 E HN 0.476 nan 8.360 nan 0.000 0.450 132 L N 0.944 122.129 121.223 -0.063 0.000 2.005 132 L HA -0.160 4.181 4.340 0.000 0.000 0.207 132 L C 2.662 179.470 176.870 -0.103 0.000 1.072 132 L CA 1.740 56.557 54.840 -0.038 0.000 0.744 132 L CB -0.711 41.378 42.059 0.050 0.000 0.895 132 L HN 0.139 nan 8.230 nan 0.000 0.433 133 Q N -0.660 118.994 119.800 -0.243 0.000 2.050 133 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 133 Q C 2.401 178.315 176.000 -0.143 0.000 0.980 133 Q CA 1.643 57.287 55.803 -0.264 0.000 0.840 133 Q CB -0.497 27.975 28.738 -0.443 0.000 0.898 133 Q HN 0.550 nan 8.270 nan 0.000 0.424 134 A N 1.250 123.988 122.820 -0.136 0.000 1.927 134 A HA -0.248 4.072 4.320 0.000 0.000 0.220 134 A C 2.301 179.852 177.584 -0.054 0.000 1.185 134 A CA 1.946 53.931 52.037 -0.086 0.000 0.639 134 A CB -0.951 17.997 19.000 -0.087 0.000 0.820 134 A HN 0.435 nan 8.150 nan 0.000 0.451 135 A N -0.718 122.072 122.820 -0.050 0.000 1.968 135 A HA -0.109 4.211 4.320 0.000 0.000 0.217 135 A C 1.869 179.450 177.584 -0.006 0.000 1.169 135 A CA 1.897 53.921 52.037 -0.023 0.000 0.638 135 A CB -0.525 18.464 19.000 -0.018 0.000 0.812 135 A HN 0.503 nan 8.150 nan 0.000 0.446 136 D N -0.256 120.135 120.400 -0.014 0.000 2.117 136 D HA -0.181 4.459 4.640 0.000 0.000 0.197 136 D C 2.108 178.414 176.300 0.011 0.000 0.987 136 D CA 1.484 55.486 54.000 0.005 0.000 0.829 136 D CB -0.077 40.723 40.800 0.001 0.000 0.961 136 D HN 0.347 nan 8.370 nan 0.000 0.460 137 R N -0.073 120.422 120.500 -0.007 0.000 2.057 137 R HA -0.020 4.320 4.340 0.000 0.000 0.229 137 R C 2.171 178.474 176.300 0.005 0.000 1.136 137 R CA 2.268 58.365 56.100 -0.005 0.000 0.952 137 R CB -1.104 29.183 30.300 -0.022 0.000 0.848 137 R HN 0.063 nan 8.270 nan 0.000 0.430 138 T N 2.036 116.594 114.554 0.006 0.000 2.653 138 T HA -0.203 4.147 4.350 0.000 0.000 0.268 138 T C 1.653 176.394 174.700 0.069 0.000 1.035 138 T CA 1.645 63.760 62.100 0.024 0.000 1.154 138 T CB -0.503 68.380 68.868 0.024 0.000 0.862 138 T HN 0.214 nan 8.240 nan 0.000 0.441 139 L N 1.429 122.702 121.223 0.084 0.000 2.042 139 L HA -0.097 4.243 4.340 0.000 0.000 0.210 139 L C 2.521 179.462 176.870 0.117 0.000 1.076 139 L CA 2.050 56.972 54.840 0.137 0.000 0.749 139 L CB -0.703 41.413 42.059 0.095 0.000 0.893 139 L HN 0.350 nan 8.230 nan 0.000 0.432 140 E N -0.934 119.303 120.200 0.062 0.000 2.051 140 E HA -0.335 4.016 4.350 0.000 0.000 0.192 140 E C 2.163 178.744 176.600 -0.033 0.000 0.991 140 E CA 1.577 57.986 56.400 0.015 0.000 0.799 140 E CB -0.306 29.395 29.700 0.002 0.000 0.748 140 E HN 0.746 nan 8.360 nan 0.000 0.449 141 Q N 0.361 120.154 119.800 -0.012 0.000 2.077 141 Q HA -0.199 4.142 4.340 0.000 0.000 0.206 141 Q C 2.286 178.299 176.000 0.022 0.000 0.989 141 Q CA 2.018 57.808 55.803 -0.023 0.000 0.853 141 Q CB -0.131 28.592 28.738 -0.025 0.000 0.907 141 Q HN 0.435 nan 8.270 nan 0.000 0.418 142 I N -0.302 120.310 120.570 0.069 0.000 2.286 142 I HA -0.236 3.934 4.170 0.000 0.000 0.245 142 I C 2.259 178.529 176.117 0.254 0.000 1.104 142 I CA 0.559 61.944 61.300 0.143 0.000 1.397 142 I CB -0.103 37.953 38.000 0.094 0.000 1.072 142 I HN 0.091 nan 8.210 nan 0.000 0.417 143 V N 0.529 120.553 119.914 0.184 0.000 2.287 143 V HA -0.372 3.748 4.120 0.000 0.000 0.248 143 V C 2.472 178.639 176.094 0.122 0.000 1.053 143 V CA 2.277 64.687 62.300 0.184 0.000 1.027 143 V CB -0.696 31.228 31.823 0.169 0.000 0.646 143 V HN 0.514 nan 8.190 nan 0.000 0.447 144 Q N -0.771 118.980 119.800 -0.081 0.000 2.050 144 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 144 Q C 2.142 178.145 176.000 0.005 0.000 0.980 144 Q CA 2.307 57.973 55.803 -0.228 0.000 0.840 144 Q CB -0.321 28.126 28.738 -0.485 0.000 0.898 144 Q HN 0.617 nan 8.270 nan 0.000 0.424 145 F N -0.168 119.709 119.950 -0.122 0.000 2.087 145 F HA -0.294 4.233 4.527 0.000 0.000 0.299 145 F C 1.357 177.025 175.800 -0.221 0.000 1.100 145 F CA 1.770 59.652 58.000 -0.196 0.000 1.226 145 F CB -0.259 38.559 39.000 -0.304 0.000 0.983 145 F HN 0.172 nan 8.300 nan 0.000 0.479 146 Y N -0.371 119.963 120.300 0.056 0.000 2.475 146 Y HA -0.035 4.516 4.550 0.000 0.000 0.289 146 Y C 2.330 178.210 175.900 -0.033 0.000 1.121 146 Y CA 0.349 58.423 58.100 -0.043 0.000 1.257 146 Y CB -0.285 38.215 38.460 0.066 0.000 1.026 146 Y HN 0.033 nan 8.280 nan 0.000 0.555 147 I N 0.085 120.757 120.570 0.169 0.000 2.226 147 I HA -0.292 3.878 4.170 0.000 0.000 0.245 147 I C 1.600 177.785 176.117 0.112 0.000 1.100 147 I CA 1.557 62.978 61.300 0.201 0.000 1.374 147 I CB -0.900 37.334 38.000 0.390 0.000 1.057 147 I HN 0.226 nan 8.210 nan 0.000 0.413 148 D N 0.915 121.316 120.400 0.002 0.000 2.117 148 D HA -0.162 4.478 4.640 0.000 0.000 0.197 148 D C 2.229 178.436 176.300 -0.154 0.000 0.987 148 D CA 1.087 55.039 54.000 -0.080 0.000 0.829 148 D CB -0.132 40.570 40.800 -0.163 0.000 0.961 148 D HN 0.284 nan 8.370 nan 0.000 0.460 149 K N 0.404 120.633 120.400 -0.286 0.000 2.026 149 K HA -0.087 4.233 4.320 0.000 0.000 0.208 149 K C 2.112 178.672 176.600 -0.066 0.000 1.048 149 K CA 1.096 57.242 56.287 -0.234 0.000 0.929 149 K CB -0.122 32.206 32.500 -0.288 0.000 0.713 149 K HN 0.021 nan 8.250 nan 0.000 0.439 150 A N 1.461 124.280 122.820 -0.001 0.000 1.892 150 A HA -0.258 4.063 4.320 0.000 0.000 0.218 150 A C 2.106 179.711 177.584 0.035 0.000 1.188 150 A CA 2.002 54.064 52.037 0.041 0.000 0.631 150 A CB -0.553 18.488 19.000 0.069 0.000 0.822 150 A HN 0.285 nan 8.150 nan 0.000 0.447 151 R N -0.927 119.597 120.500 0.040 0.000 2.075 151 R HA -0.053 4.287 4.340 0.000 0.000 0.232 151 R C 2.377 178.686 176.300 0.015 0.000 1.126 151 R CA 1.570 57.696 56.100 0.044 0.000 0.963 151 R CB -0.253 30.086 30.300 0.065 0.000 0.858 151 R HN 0.469 nan 8.270 nan 0.000 0.435 152 R N -0.220 120.274 120.500 -0.011 0.000 2.193 152 R HA -0.082 4.258 4.340 0.000 0.000 0.229 152 R C 1.718 178.012 176.300 -0.010 0.000 1.110 152 R CA 1.623 57.711 56.100 -0.020 0.000 0.988 152 R CB 0.167 30.437 30.300 -0.050 0.000 0.871 152 R HN 0.381 nan 8.270 nan 0.000 0.458 153 Q N -2.026 117.772 119.800 -0.003 0.000 2.352 153 Q HA 0.172 4.512 4.340 0.000 0.000 0.212 153 Q C 0.664 176.673 176.000 0.015 0.000 0.888 153 Q CA 0.469 56.276 55.803 0.007 0.000 0.934 153 Q CB 1.395 30.140 28.738 0.012 0.000 1.093 153 Q HN 0.494 nan 8.270 nan 0.000 0.523 154 G N 1.155 109.966 108.800 0.019 0.000 2.157 154 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 154 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 154 G C 0.826 175.743 174.900 0.027 0.000 0.979 154 G CA 0.757 45.871 45.100 0.023 0.000 0.650 154 G HN 0.432 nan 8.290 nan 0.000 0.529 155 T N -1.863 112.710 114.554 0.032 0.000 3.086 155 T HA 0.493 4.844 4.350 0.000 0.000 0.250 155 T C 1.070 175.792 174.700 0.037 0.000 1.074 155 T CA 0.377 62.497 62.100 0.034 0.000 0.988 155 T CB 0.456 69.347 68.868 0.040 0.000 0.988 155 T HN 0.833 nan 8.240 nan 0.000 0.530 156 L N 3.631 124.880 121.223 0.043 0.000 2.678 156 L HA 0.432 4.773 4.340 0.000 0.000 0.276 156 L C 0.851 177.738 176.870 0.028 0.000 1.142 156 L CA -0.216 54.652 54.840 0.046 0.000 0.961 156 L CB -0.639 41.469 42.059 0.082 0.000 1.291 156 L HN 0.329 nan 8.230 nan 0.000 0.476 157 G N 2.955 111.761 108.800 0.010 0.000 2.367 157 G HA2 0.158 4.118 3.960 0.000 0.000 0.282 157 G HA3 0.158 4.118 3.960 0.000 0.000 0.282 157 G C 0.622 175.510 174.900 -0.019 0.000 1.140 157 G CA 0.216 45.317 45.100 0.001 0.000 1.088 157 G HN 0.711 nan 8.290 nan 0.000 0.431 158 T N 0.938 115.494 114.554 0.003 0.000 3.010 158 T HA 0.169 4.520 4.350 0.000 0.000 0.257 158 T C 1.464 176.167 174.700 0.005 0.000 1.020 158 T CA 0.342 62.446 62.100 0.006 0.000 0.938 158 T CB -0.155 68.750 68.868 0.062 0.000 1.049 158 T HN 0.633 nan 8.240 nan 0.000 0.522 159 S N 2.044 117.748 115.700 0.007 0.000 2.475 159 S HA 0.486 4.956 4.470 0.000 0.000 0.281 159 S C -0.227 174.383 174.600 0.018 0.000 1.198 159 S CA -0.834 57.370 58.200 0.007 0.000 1.063 159 S CB 0.989 64.198 63.200 0.016 0.000 0.972 159 S HN 0.258 nan 8.310 nan 0.000 0.486 160 K N 2.402 122.801 120.400 -0.002 0.000 2.414 160 K HA 0.126 4.447 4.320 0.000 0.000 0.272 160 K C 0.854 177.561 176.600 0.179 0.000 0.993 160 K CA -0.016 56.298 56.287 0.045 0.000 0.964 160 K CB 0.228 32.634 32.500 -0.157 0.000 0.925 160 K HN 0.855 nan 8.250 nan 0.000 0.487 161 T N 0.089 114.833 114.554 0.316 0.000 2.937 161 T HA 0.017 4.367 4.350 0.000 0.000 0.316 161 T C -1.817 173.127 174.700 0.408 0.000 1.079 161 T CA -1.371 60.902 62.100 0.289 0.000 1.131 161 T CB 0.504 69.495 68.868 0.206 0.000 1.000 161 T HN 0.296 nan 8.240 nan 0.000 0.549 162 P HA -0.023 nan 4.420 nan 0.000 0.215 162 P C 0.875 178.322 177.300 0.244 0.000 1.157 162 P CA 1.115 64.349 63.100 0.224 0.000 0.874 162 P CB -0.114 31.657 31.700 0.117 0.000 0.790 163 T N -1.026 113.571 114.554 0.072 0.000 2.902 163 T HA 0.416 4.766 4.350 0.000 0.000 0.283 163 T C -2.703 171.686 174.700 -0.517 0.000 1.009 163 T CA -2.785 59.233 62.100 -0.137 0.000 1.051 163 T CB 0.318 69.121 68.868 -0.108 0.000 0.999 163 T HN -0.284 nan 8.240 nan 0.000 0.474 164 P HA 0.191 nan 4.420 nan 0.000 0.265 164 P C -1.035 175.858 177.300 -0.678 0.000 1.187 164 P CA 0.062 62.227 63.100 -1.559 0.000 0.766 164 P CB 0.474 31.590 31.700 -0.974 0.000 0.820 165 S N 1.178 116.577 115.700 -0.503 0.000 2.596 165 S HA 0.730 5.200 4.470 0.000 0.000 0.270 165 S C -1.105 173.397 174.600 -0.165 0.000 1.155 165 S CA -0.801 57.279 58.200 -0.199 0.000 0.827 165 S CB 1.648 64.783 63.200 -0.109 0.000 1.130 165 S HN 0.339 nan 8.310 nan 0.000 0.467 166 V N 0.964 120.725 119.914 -0.255 0.000 3.007 166 V HA 0.639 4.759 4.120 0.000 0.000 0.311 166 V C -1.812 174.094 176.094 -0.313 0.000 1.120 166 V CA -0.876 61.106 62.300 -0.530 0.000 0.980 166 V CB 2.178 33.554 31.823 -0.744 0.000 1.033 166 V HN 0.996 nan 8.190 nan 0.000 0.429 167 N N 5.169 123.682 118.700 -0.312 0.000 2.419 167 N HA 0.525 5.265 4.740 0.000 0.000 0.277 167 N C -0.823 174.600 175.510 -0.146 0.000 1.006 167 N CA -0.147 52.809 53.050 -0.156 0.000 0.923 167 N CB 1.955 40.393 38.487 -0.082 0.000 1.140 167 N HN 0.625 nan 8.380 nan 0.000 0.488 168 I N 3.404 123.923 120.570 -0.085 0.000 2.312 168 I HA 0.380 4.551 4.170 0.000 0.000 0.290 168 I C 0.018 176.126 176.117 -0.014 0.000 1.008 168 I CA -0.416 60.853 61.300 -0.050 0.000 1.226 168 I CB 0.731 38.712 38.000 -0.032 0.000 1.371 168 I HN 0.235 nan 8.210 nan 0.000 0.468 169 I N 5.178 125.750 120.570 0.003 0.000 2.465 169 I HA 0.514 4.684 4.170 0.000 0.000 0.291 169 I C 0.825 176.976 176.117 0.057 0.000 1.014 169 I CA -0.399 60.919 61.300 0.029 0.000 1.093 169 I CB 1.841 39.867 38.000 0.045 0.000 1.267 169 I HN 0.854 nan 8.210 nan 0.000 0.431 170 G N 5.026 113.864 108.800 0.064 0.000 2.184 170 G HA2 -0.184 3.777 3.960 0.000 0.000 0.206 170 G HA3 -0.184 3.777 3.960 0.000 0.000 0.206 170 G C -0.150 174.852 174.900 0.171 0.000 0.995 170 G CA -0.706 44.467 45.100 0.122 0.000 0.651 170 G HN 0.450 nan 8.290 nan 0.000 0.511 171 I N 2.537 123.181 120.570 0.123 0.000 2.452 171 I HA 0.490 4.660 4.170 0.000 0.000 0.287 171 I C 0.617 176.741 176.117 0.011 0.000 1.079 171 I CA 0.747 62.121 61.300 0.124 0.000 1.387 171 I CB 1.373 39.442 38.000 0.114 0.000 1.404 171 I HN 0.049 nan 8.210 nan 0.000 0.522 172 T N 3.878 118.430 114.554 -0.003 0.000 2.906 172 T HA 0.333 4.684 4.350 0.000 0.000 0.295 172 T C -0.109 174.592 174.700 0.001 0.000 1.061 172 T CA -0.660 61.423 62.100 -0.027 0.000 1.000 172 T CB 1.471 70.320 68.868 -0.031 0.000 1.103 172 T HN 0.455 nan 8.240 nan 0.000 0.486 173 T N 3.285 117.847 114.554 0.013 0.000 2.940 173 T HA 0.214 4.564 4.350 0.000 0.000 0.309 173 T C 1.366 176.120 174.700 0.090 0.000 1.056 173 T CA 0.112 62.237 62.100 0.043 0.000 1.137 173 T CB -0.157 68.745 68.868 0.057 0.000 0.976 173 T HN 0.676 nan 8.240 nan 0.000 0.547 174 L N 0.082 121.378 121.223 0.121 0.000 4.813 174 L HA -0.187 4.153 4.340 0.000 0.000 0.434 174 L C 1.211 178.243 176.870 0.270 0.000 1.106 174 L CA 0.646 55.627 54.840 0.236 0.000 0.991 174 L CB -1.782 40.367 42.059 0.151 0.000 2.005 174 L HN 0.875 nan 8.230 nan 0.000 0.817 175 G N -0.059 108.825 108.800 0.140 0.000 2.361 175 G HA2 0.241 4.201 3.960 0.000 0.000 0.260 175 G HA3 0.241 4.201 3.960 0.000 0.000 0.260 175 G C -0.378 174.521 174.900 -0.001 0.000 1.261 175 G CA -0.330 44.786 45.100 0.027 0.000 0.897 175 G HN 0.139 nan 8.290 nan 0.000 0.499 176 F N 3.973 123.814 119.950 -0.182 0.000 2.477 176 F HA -0.047 4.480 4.527 0.000 0.000 0.392 176 F C 1.557 177.233 175.800 -0.208 0.000 1.028 176 F CA 0.823 58.649 58.000 -0.291 0.000 1.069 176 F CB -0.611 38.168 39.000 -0.369 0.000 0.970 176 F HN 0.829 nan 8.300 nan 0.000 0.540 177 H N 3.442 121.991 119.070 -0.869 0.000 2.776 177 H HA -0.335 4.222 4.556 0.000 0.000 0.300 177 H C 1.402 176.578 175.328 -0.254 0.000 1.161 177 H CA 0.911 56.575 56.048 -0.640 0.000 1.147 177 H CB -1.403 27.875 29.762 -0.806 0.000 1.366 177 H HN 0.792 nan 8.280 nan 0.000 0.397 178 N N 0.693 119.341 118.700 -0.088 0.000 2.084 178 N HA -0.161 4.580 4.740 0.000 0.000 0.190 178 N C 1.778 177.316 175.510 0.047 0.000 1.030 178 N CA 1.175 54.249 53.050 0.040 0.000 0.849 178 N CB -0.058 38.430 38.487 0.001 0.000 1.012 178 N HN 0.549 nan 8.380 nan 0.000 0.423 179 Q N 0.169 119.934 119.800 -0.059 0.000 2.077 179 Q HA -0.186 4.154 4.340 0.000 0.000 0.206 179 Q C 1.757 177.819 176.000 0.105 0.000 0.989 179 Q CA 1.308 57.096 55.803 -0.025 0.000 0.853 179 Q CB -0.203 28.472 28.738 -0.106 0.000 0.907 179 Q HN 0.575 nan 8.270 nan 0.000 0.418 180 H N 0.517 119.631 119.070 0.073 0.000 2.389 180 H HA -0.065 4.492 4.556 0.000 0.000 0.299 180 H C 1.613 177.005 175.328 0.107 0.000 1.081 180 H CA 1.080 57.185 56.048 0.094 0.000 1.345 180 H CB -0.244 29.453 29.762 -0.109 0.000 1.393 180 H HN 0.259 nan 8.280 nan 0.000 0.520 181 D N 0.040 120.573 120.400 0.223 0.000 2.144 181 D HA -0.138 4.503 4.640 0.000 0.000 0.199 181 D C 2.391 178.799 176.300 0.180 0.000 0.984 181 D CA 0.741 54.867 54.000 0.210 0.000 0.834 181 D CB -0.604 40.375 40.800 0.299 0.000 0.955 181 D HN 0.275 nan 8.370 nan 0.000 0.465 182 C N 1.138 120.547 119.300 0.180 0.000 2.413 182 C HA -0.113 4.347 4.460 0.000 0.000 0.276 182 C C 2.683 177.761 174.990 0.147 0.000 1.236 182 C CA 0.829 59.931 59.018 0.139 0.000 1.735 182 C CB -0.838 26.972 27.740 0.116 0.000 2.031 182 C HN 0.281 nan 8.230 nan 0.000 0.474 183 R N 0.317 120.942 120.500 0.208 0.000 2.081 183 R HA -0.128 4.212 4.340 0.000 0.000 0.235 183 R C 2.193 178.633 176.300 0.233 0.000 1.131 183 R CA 1.805 58.034 56.100 0.214 0.000 0.960 183 R CB -0.503 29.968 30.300 0.284 0.000 0.856 183 R HN 0.561 nan 8.270 nan 0.000 0.436 184 E N 1.313 121.694 120.200 0.302 0.000 2.085 184 E HA -0.149 4.201 4.350 0.000 0.000 0.194 184 E C 1.804 178.495 176.600 0.152 0.000 0.994 184 E CA 1.269 57.824 56.400 0.257 0.000 0.801 184 E CB -0.178 29.646 29.700 0.207 0.000 0.743 184 E HN 0.268 nan 8.360 nan 0.000 0.453 185 L N 0.153 121.444 121.223 0.112 0.000 2.046 185 L HA -0.159 4.182 4.340 0.000 0.000 0.208 185 L C 2.457 179.360 176.870 0.055 0.000 1.077 185 L CA 1.492 56.371 54.840 0.065 0.000 0.747 185 L CB -0.429 41.651 42.059 0.035 0.000 0.896 185 L HN 0.064 nan 8.230 nan 0.000 0.432 186 K N -0.336 120.100 120.400 0.060 0.000 2.097 186 K HA -0.220 4.100 4.320 0.000 0.000 0.205 186 K C 2.167 178.788 176.600 0.036 0.000 1.050 186 K CA 1.150 57.458 56.287 0.035 0.000 0.938 186 K CB -0.119 32.401 32.500 0.034 0.000 0.718 186 K HN 0.120 nan 8.250 nan 0.000 0.442 187 Q N 1.489 121.328 119.800 0.064 0.000 2.084 187 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 187 Q C 1.953 177.996 176.000 0.073 0.000 0.978 187 Q CA 1.182 57.025 55.803 0.068 0.000 0.844 187 Q CB -0.243 28.553 28.738 0.096 0.000 0.898 187 Q HN 0.222 nan 8.270 nan 0.000 0.426 188 L N -0.621 120.656 121.223 0.091 0.000 2.046 188 L HA -0.126 4.214 4.340 0.000 0.000 0.208 188 L C 1.895 178.752 176.870 -0.022 0.000 1.077 188 L CA 1.741 56.639 54.840 0.098 0.000 0.747 188 L CB -0.568 41.559 42.059 0.113 0.000 0.896 188 L HN 0.271 nan 8.230 nan 0.000 0.432 189 M N -0.318 119.268 119.600 -0.023 0.000 2.108 189 M HA -0.161 4.319 4.480 0.000 0.000 0.261 189 M C 2.431 178.675 176.300 -0.094 0.000 1.066 189 M CA 1.886 57.150 55.300 -0.061 0.000 1.107 189 M CB -1.925 30.655 32.600 -0.034 0.000 1.356 189 M HN 0.452 nan 8.290 nan 0.000 0.406 190 A N 0.057 122.843 122.820 -0.057 0.000 1.930 190 A HA -0.154 4.166 4.320 0.000 0.000 0.217 190 A C 1.888 179.418 177.584 -0.089 0.000 1.175 190 A CA 1.714 53.717 52.037 -0.057 0.000 0.627 190 A CB -0.589 18.398 19.000 -0.022 0.000 0.815 190 A HN 0.422 nan 8.150 nan 0.000 0.443 191 D N -0.034 120.305 120.400 -0.101 0.000 2.183 191 D HA -0.035 4.605 4.640 0.000 0.000 0.203 191 D C 1.694 177.709 176.300 -0.474 0.000 0.969 191 D CA 0.768 54.677 54.000 -0.152 0.000 0.842 191 D CB -0.186 40.641 40.800 0.045 0.000 0.957 191 D HN 0.445 nan 8.370 nan 0.000 0.484 192 L N -0.292 120.594 121.223 -0.563 0.000 2.552 192 L HA 0.113 4.454 4.340 0.000 0.000 0.227 192 L C 1.411 178.084 176.870 -0.329 0.000 1.146 192 L CA 0.447 54.853 54.840 -0.724 0.000 0.858 192 L CB -0.172 41.429 42.059 -0.763 0.000 0.969 192 L HN 0.098 nan 8.230 nan 0.000 0.451 193 G N 1.032 109.710 108.800 -0.204 0.000 2.147 193 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 193 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 193 G C 0.125 174.967 174.900 -0.097 0.000 1.005 193 G CA -0.175 44.861 45.100 -0.108 0.000 0.713 193 G HN 0.319 nan 8.290 nan 0.000 0.515 194 I N 1.406 121.916 120.570 -0.101 0.000 2.307 194 I HA 0.219 4.389 4.170 0.000 0.000 0.289 194 I C 0.735 176.798 176.117 -0.090 0.000 1.021 194 I CA -0.879 60.368 61.300 -0.089 0.000 1.224 194 I CB 1.097 39.082 38.000 -0.025 0.000 1.376 194 I HN 0.043 nan 8.210 nan 0.000 0.470 195 Q N 4.325 124.062 119.800 -0.105 0.000 2.333 195 Q HA 0.087 4.427 4.340 0.000 0.000 0.299 195 Q C -0.426 175.524 176.000 -0.084 0.000 1.067 195 Q CA 0.243 55.997 55.803 -0.082 0.000 0.943 195 Q CB 1.569 30.261 28.738 -0.077 0.000 1.233 195 Q HN 0.395 nan 8.270 nan 0.000 0.401 196 V N 3.834 123.711 119.914 -0.063 0.000 2.348 196 V HA 0.007 4.127 4.120 0.000 0.000 0.270 196 V C 1.224 177.287 176.094 -0.052 0.000 1.037 196 V CA -0.274 61.986 62.300 -0.066 0.000 0.872 196 V CB 1.083 32.879 31.823 -0.044 0.000 1.002 196 V HN 0.726 nan 8.190 nan 0.000 0.464 197 N N 4.236 122.899 118.700 -0.062 0.000 2.109 197 N HA 0.023 4.763 4.740 0.000 0.000 0.188 197 N C -0.030 175.467 175.510 -0.022 0.000 1.034 197 N CA 1.296 54.325 53.050 -0.035 0.000 0.846 197 N CB 0.179 38.645 38.487 -0.035 0.000 1.010 197 N HN 0.515 nan 8.380 nan 0.000 0.425 198 L N -0.528 120.677 121.223 -0.030 0.000 2.556 198 L HA 0.493 4.833 4.340 0.000 0.000 0.257 198 L C -1.803 175.059 176.870 -0.013 0.000 0.955 198 L CA -0.716 54.119 54.840 -0.008 0.000 0.850 198 L CB 2.073 44.136 42.059 0.008 0.000 1.398 198 L HN -0.220 nan 8.230 nan 0.000 0.412 199 V N 4.892 124.805 119.914 -0.001 0.000 2.448 199 V HA 0.604 4.725 4.120 0.000 0.000 0.295 199 V C 0.032 176.119 176.094 -0.011 0.000 1.025 199 V CA -0.421 61.876 62.300 -0.006 0.000 0.859 199 V CB 1.400 33.222 31.823 -0.001 0.000 0.988 199 V HN 0.703 nan 8.190 nan 0.000 0.431 200 I N 3.115 123.670 120.570 -0.024 0.000 3.170 200 I HA 0.698 4.869 4.170 0.000 0.000 0.312 200 I C -1.374 174.644 176.117 -0.165 0.000 1.085 200 I CA -2.198 59.059 61.300 -0.072 0.000 0.999 200 I CB 1.970 39.986 38.000 0.027 0.000 1.233 200 I HN 0.494 nan 8.210 nan 0.000 0.467 201 P HA -0.446 nan 4.420 nan 0.000 0.241 201 P C 0.606 177.574 177.300 -0.552 0.000 0.738 201 P CA 2.429 64.981 63.100 -0.913 0.000 1.075 201 P CB -1.258 30.064 31.700 -0.630 0.000 0.728 202 A N 0.644 123.303 122.820 -0.268 0.000 2.558 202 A HA 0.279 4.600 4.320 0.000 0.000 0.262 202 A C 1.539 179.075 177.584 -0.081 0.000 1.049 202 A CA 1.768 53.723 52.037 -0.137 0.000 0.804 202 A CB -1.550 17.417 19.000 -0.056 0.000 0.957 202 A HN 1.059 nan 8.150 nan 0.000 0.520 203 A N 0.811 123.605 122.820 -0.044 0.000 3.153 203 A HA 0.055 4.375 4.320 0.000 0.000 0.265 203 A C 1.094 178.708 177.584 0.050 0.000 1.212 203 A CA 1.450 53.496 52.037 0.016 0.000 1.018 203 A CB -2.215 16.794 19.000 0.016 0.000 1.130 203 A HN 2.693 nan 8.150 nan 0.000 0.873 204 A N -0.443 122.412 122.820 0.057 0.000 2.322 204 A HA 0.632 4.953 4.320 0.000 0.000 0.269 204 A C 0.478 178.209 177.584 0.245 0.000 1.094 204 A CA 0.888 53.011 52.037 0.143 0.000 0.807 204 A CB 0.336 19.433 19.000 0.161 0.000 1.047 204 A HN 1.341 nan 8.150 nan 0.000 0.487 205 T N 1.122 115.772 114.554 0.159 0.000 2.829 205 T HA 0.302 4.653 4.350 0.000 0.000 0.282 205 T C 1.314 175.984 174.700 -0.051 0.000 0.990 205 T CA -0.310 61.847 62.100 0.096 0.000 1.028 205 T CB 0.826 69.774 68.868 0.134 0.000 0.951 205 T HN 0.501 nan 8.240 nan 0.000 0.460 206 V N 5.047 124.758 119.914 -0.338 0.000 2.495 206 V HA -0.215 3.905 4.120 0.000 0.000 0.260 206 V C 2.070 177.773 176.094 -0.652 0.000 1.097 206 V CA 1.955 63.798 62.300 -0.762 0.000 1.105 206 V CB -0.714 30.429 31.823 -1.134 0.000 0.678 206 V HN 0.871 nan 8.190 nan 0.000 0.469 207 H N -1.443 117.497 119.070 -0.215 0.000 2.548 207 H HA 0.003 4.559 4.556 0.000 0.000 0.268 207 H C 1.822 177.121 175.328 -0.048 0.000 0.975 207 H CA 0.907 56.891 56.048 -0.106 0.000 1.195 207 H CB 0.079 29.810 29.762 -0.051 0.000 1.397 207 H HN 0.514 nan 8.280 nan 0.000 0.572 208 D N 0.846 121.279 120.400 0.055 0.000 2.234 208 D HA -0.040 4.600 4.640 0.000 0.000 0.205 208 D C 2.315 178.637 176.300 0.037 0.000 0.962 208 D CA 0.078 54.110 54.000 0.054 0.000 0.855 208 D CB 0.239 41.075 40.800 0.060 0.000 0.951 208 D HN 0.306 nan 8.370 nan 0.000 0.500 209 L N 1.387 122.619 121.223 0.016 0.000 2.089 209 L HA -0.254 4.086 4.340 0.000 0.000 0.213 209 L C 2.630 179.529 176.870 0.048 0.000 1.079 209 L CA 1.332 56.201 54.840 0.049 0.000 0.758 209 L CB -0.684 41.411 42.059 0.061 0.000 0.891 209 L HN 0.151 nan 8.230 nan 0.000 0.433 210 Q N 0.176 120.004 119.800 0.047 0.000 2.364 210 Q HA -0.189 4.151 4.340 0.000 0.000 0.209 210 Q C 1.860 177.850 176.000 -0.017 0.000 0.977 210 Q CA 1.046 56.865 55.803 0.027 0.000 0.885 210 Q CB -0.253 28.516 28.738 0.051 0.000 0.941 210 Q HN 0.524 nan 8.270 nan 0.000 0.464 211 R N 0.364 120.861 120.500 -0.006 0.000 2.275 211 R HA 0.116 4.456 4.340 0.000 0.000 0.199 211 R C 2.159 178.430 176.300 -0.049 0.000 0.989 211 R CA 0.260 56.349 56.100 -0.018 0.000 1.016 211 R CB -0.164 30.139 30.300 0.005 0.000 0.918 211 R HN 0.270 nan 8.270 nan 0.000 0.473 212 L N 1.131 122.319 121.223 -0.059 0.000 2.021 212 L HA -0.189 4.151 4.340 0.000 0.000 0.215 212 L C -0.737 176.039 176.870 -0.157 0.000 1.074 212 L CA 1.762 56.555 54.840 -0.078 0.000 0.760 212 L CB -1.183 40.850 42.059 -0.043 0.000 0.889 212 L HN 0.097 nan 8.230 nan 0.000 0.433 213 P HA -0.137 nan 4.420 nan 0.000 0.234 213 P C 1.118 178.318 177.300 -0.166 0.000 1.167 213 P CA 0.982 63.823 63.100 -0.432 0.000 0.763 213 P CB 0.008 31.220 31.700 -0.814 0.000 0.835 214 Q N -0.760 118.990 119.800 -0.084 0.000 2.389 214 Q HA 0.123 4.463 4.340 0.000 0.000 0.204 214 Q C 0.821 176.884 176.000 0.104 0.000 0.944 214 Q CA -0.075 55.734 55.803 0.010 0.000 0.908 214 Q CB -0.166 28.584 28.738 0.020 0.000 1.002 214 Q HN 0.162 nan 8.270 nan 0.000 0.493 215 A N -0.206 122.658 122.820 0.074 0.000 2.445 215 A HA -0.011 4.310 4.320 0.000 0.000 0.242 215 A C -0.172 177.588 177.584 0.293 0.000 1.075 215 A CA -0.298 51.826 52.037 0.145 0.000 0.777 215 A CB 0.087 19.087 19.000 0.001 0.000 1.013 215 A HN 0.389 nan 8.150 nan 0.000 0.493 216 W N 1.147 122.486 121.300 0.064 0.000 2.467 216 W HA 0.205 4.866 4.660 0.000 0.000 0.275 216 W C 0.484 177.179 176.519 0.294 0.000 1.239 216 W CA 1.390 58.840 57.345 0.174 0.000 1.266 216 W CB -0.714 28.893 29.460 0.246 0.000 1.112 216 W HN 0.664 nan 8.180 nan 0.000 0.576 217 F N -2.718 117.383 119.950 0.251 0.000 2.926 217 F HA 0.458 4.985 4.527 0.000 0.000 0.321 217 F C -1.141 174.730 175.800 0.118 0.000 1.168 217 F CA -1.785 56.311 58.000 0.160 0.000 0.890 217 F CB 0.458 39.554 39.000 0.159 0.000 1.357 217 F HN -0.422 nan 8.300 nan 0.000 0.468 218 N N 1.311 120.090 118.700 0.133 0.000 2.258 218 N HA 0.562 5.302 4.740 0.000 0.000 0.299 218 N C -2.084 173.500 175.510 0.123 0.000 1.047 218 N CA -0.436 52.584 53.050 -0.049 0.000 0.814 218 N CB 2.699 41.226 38.487 0.066 0.000 1.413 218 N HN 0.831 nan 8.380 nan 0.000 0.478 219 L N 2.117 123.328 121.223 -0.019 0.000 2.287 219 L HA 0.506 4.846 4.340 0.000 0.000 0.287 219 L C -1.111 175.780 176.870 0.036 0.000 1.022 219 L CA -0.553 54.352 54.840 0.107 0.000 0.814 219 L CB 1.222 43.335 42.059 0.091 0.000 1.217 219 L HN 0.268 nan 8.230 nan 0.000 0.420 220 V N 8.051 127.991 119.914 0.042 0.000 2.284 220 V HA 0.363 4.483 4.120 0.000 0.000 0.274 220 V C -1.530 174.521 176.094 -0.072 0.000 1.023 220 V CA -0.805 61.496 62.300 0.002 0.000 0.808 220 V CB 0.984 32.826 31.823 0.032 0.000 1.035 220 V HN 0.736 nan 8.190 nan 0.000 0.445 221 P HA -0.047 nan 4.420 nan 0.000 0.221 221 P C -0.209 176.766 177.300 -0.541 0.000 1.150 221 P CA 1.020 63.863 63.100 -0.428 0.000 0.800 221 P CB 0.247 31.523 31.700 -0.706 0.000 0.787 222 Y N -1.124 119.151 120.300 -0.041 0.000 2.364 222 Y HA 0.438 4.988 4.550 0.000 0.000 0.340 222 Y C 1.750 177.562 175.900 -0.146 0.000 0.975 222 Y CA -1.081 56.960 58.100 -0.098 0.000 1.089 222 Y CB 1.010 39.430 38.460 -0.066 0.000 1.192 222 Y HN -0.354 nan 8.280 nan 0.000 0.454 223 R N 1.980 122.411 120.500 -0.117 0.000 2.103 223 R HA -0.168 4.172 4.340 0.000 0.000 0.242 223 R C 1.469 177.636 176.300 -0.222 0.000 1.142 223 R CA 2.355 58.246 56.100 -0.349 0.000 0.960 223 R CB -0.119 29.739 30.300 -0.737 0.000 0.858 223 R HN 0.816 nan 8.270 nan 0.000 0.439 224 E N -0.310 119.829 120.200 -0.102 0.000 2.371 224 E HA 0.004 4.355 4.350 0.000 0.000 0.194 224 E C 0.189 176.801 176.600 0.021 0.000 1.012 224 E CA 0.442 56.829 56.400 -0.023 0.000 0.860 224 E CB 0.209 29.918 29.700 0.016 0.000 0.811 224 E HN 0.413 nan 8.360 nan 0.000 0.502 225 I N -0.148 120.448 120.570 0.044 0.000 2.500 225 I HA 0.450 4.620 4.170 0.000 0.000 0.286 225 I C 0.411 176.568 176.117 0.068 0.000 1.063 225 I CA -0.326 61.004 61.300 0.050 0.000 1.062 225 I CB 2.090 40.115 38.000 0.041 0.000 1.223 225 I HN 0.155 nan 8.210 nan 0.000 0.435 226 G N 3.759 112.591 108.800 0.053 0.000 2.284 226 G HA2 -0.201 3.759 3.960 0.000 0.000 0.201 226 G HA3 -0.201 3.759 3.960 0.000 0.000 0.201 226 G C 0.947 175.885 174.900 0.064 0.000 0.998 226 G CA 0.024 45.163 45.100 0.064 0.000 0.651 226 G HN 0.811 nan 8.290 nan 0.000 0.489 227 G N 1.248 110.075 108.800 0.044 0.000 2.514 227 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 227 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 227 G C 1.887 176.830 174.900 0.073 0.000 1.198 227 G CA 1.468 46.594 45.100 0.043 0.000 0.780 227 G HN 0.696 nan 8.290 nan 0.000 0.565 228 L N 0.294 121.560 121.223 0.070 0.000 1.978 228 L HA -0.196 4.144 4.340 0.000 0.000 0.218 228 L C 3.251 180.199 176.870 0.130 0.000 1.075 228 L CA 2.071 56.964 54.840 0.088 0.000 0.767 228 L CB -1.099 40.997 42.059 0.062 0.000 0.890 228 L HN 0.235 nan 8.230 nan 0.000 0.434 229 T N -0.325 114.304 114.554 0.126 0.000 2.746 229 T HA -0.161 4.189 4.350 0.000 0.000 0.267 229 T C 1.965 176.795 174.700 0.216 0.000 1.039 229 T CA 1.239 63.445 62.100 0.177 0.000 1.142 229 T CB -0.330 68.626 68.868 0.147 0.000 0.866 229 T HN 0.468 nan 8.240 nan 0.000 0.444 230 A N 1.080 123.994 122.820 0.157 0.000 1.972 230 A HA -0.166 4.154 4.320 0.000 0.000 0.219 230 A C 2.268 179.948 177.584 0.159 0.000 1.169 230 A CA 1.587 53.713 52.037 0.150 0.000 0.635 230 A CB -0.597 18.474 19.000 0.118 0.000 0.810 230 A HN 0.497 nan 8.150 nan 0.000 0.446 231 Q N -2.322 117.573 119.800 0.158 0.000 2.137 231 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 231 Q C 1.905 177.998 176.000 0.154 0.000 0.960 231 Q CA 1.499 57.385 55.803 0.138 0.000 0.847 231 Q CB -0.310 28.498 28.738 0.117 0.000 0.915 231 Q HN 0.845 nan 8.270 nan 0.000 0.448 232 Y N 0.204 120.559 120.300 0.090 0.000 2.181 232 Y HA -0.235 4.315 4.550 0.000 0.000 0.288 232 Y C 1.545 177.528 175.900 0.139 0.000 1.146 232 Y CA 1.065 59.221 58.100 0.095 0.000 1.164 232 Y CB -0.054 38.470 38.460 0.106 0.000 0.982 232 Y HN 0.082 nan 8.280 nan 0.000 0.515 233 L N 0.903 122.188 121.223 0.105 0.000 2.141 233 L HA -0.126 4.214 4.340 0.000 0.000 0.209 233 L C 2.439 179.382 176.870 0.121 0.000 1.094 233 L CA 1.764 56.705 54.840 0.168 0.000 0.763 233 L CB -1.148 41.063 42.059 0.253 0.000 0.908 233 L HN 0.396 nan 8.230 nan 0.000 0.437 234 E N -0.089 120.155 120.200 0.073 0.000 2.047 234 E HA -0.240 4.110 4.350 0.000 0.000 0.191 234 E C 2.292 178.873 176.600 -0.033 0.000 0.987 234 E CA 1.217 57.648 56.400 0.052 0.000 0.799 234 E CB 0.040 29.777 29.700 0.063 0.000 0.752 234 E HN 0.519 nan 8.360 nan 0.000 0.449 235 R N -0.034 120.410 120.500 -0.094 0.000 2.148 235 R HA -0.020 4.320 4.340 0.000 0.000 0.223 235 R C 1.657 177.785 176.300 -0.288 0.000 1.088 235 R CA 1.056 57.070 56.100 -0.144 0.000 0.985 235 R CB -0.103 30.143 30.300 -0.090 0.000 0.880 235 R HN 0.096 nan 8.270 nan 0.000 0.451 236 E N 0.265 120.161 120.200 -0.508 0.000 2.190 236 E HA -0.003 4.347 4.350 0.000 0.000 0.191 236 E C 0.929 176.895 176.600 -1.057 0.000 0.978 236 E CA 0.848 56.705 56.400 -0.906 0.000 0.839 236 E CB 0.156 29.010 29.700 -1.410 0.000 0.787 236 E HN 0.404 nan 8.360 nan 0.000 0.473 237 F N -0.722 119.141 119.950 -0.145 0.000 2.767 237 F HA 0.330 4.857 4.527 0.000 0.000 0.323 237 F C 1.351 177.118 175.800 -0.055 0.000 1.091 237 F CA 0.300 58.250 58.000 -0.083 0.000 1.192 237 F CB 0.873 39.836 39.000 -0.062 0.000 1.056 237 F HN 0.027 nan 8.300 nan 0.000 0.571 238 G N 1.408 110.233 108.800 0.042 0.000 2.176 238 G HA2 -0.333 3.628 3.960 0.000 0.000 0.252 238 G HA3 -0.333 3.628 3.960 0.000 0.000 0.252 238 G C 0.162 175.113 174.900 0.085 0.000 1.024 238 G CA -0.036 45.087 45.100 0.039 0.000 0.755 238 G HN 0.406 nan 8.290 nan 0.000 0.507 239 Q N 0.833 120.714 119.800 0.133 0.000 2.361 239 Q HA 0.395 4.735 4.340 0.000 0.000 0.250 239 Q C -1.841 174.255 176.000 0.160 0.000 1.023 239 Q CA -1.914 53.983 55.803 0.157 0.000 0.915 239 Q CB 1.284 30.127 28.738 0.174 0.000 1.238 239 Q HN 0.332 nan 8.270 nan 0.000 0.451 240 P HA 0.044 nan 4.420 nan 0.000 0.273 240 P C -1.089 176.360 177.300 0.248 0.000 1.250 240 P CA -0.223 62.978 63.100 0.168 0.000 0.793 240 P CB 1.061 32.839 31.700 0.130 0.000 1.011 241 S N -1.166 114.660 115.700 0.210 0.000 2.564 241 S HA 0.610 5.080 4.470 0.000 0.000 0.274 241 S C -1.115 173.605 174.600 0.199 0.000 1.124 241 S CA -0.755 57.593 58.200 0.248 0.000 0.869 241 S CB 1.112 64.414 63.200 0.170 0.000 1.105 241 S HN 0.138 nan 8.310 nan 0.000 0.472 242 V N 2.642 122.699 119.914 0.238 0.000 2.444 242 V HA 0.535 4.655 4.120 0.000 0.000 0.294 242 V C 0.280 176.452 176.094 0.129 0.000 1.022 242 V CA -0.655 61.735 62.300 0.150 0.000 0.850 242 V CB 1.403 33.320 31.823 0.157 0.000 0.992 242 V HN 1.000 nan 8.190 nan 0.000 0.426 243 R N 3.999 124.558 120.500 0.097 0.000 2.633 243 R HA 0.439 4.780 4.340 0.000 0.000 0.348 243 R C -0.499 175.847 176.300 0.076 0.000 1.100 243 R CA -0.190 55.955 56.100 0.075 0.000 1.068 243 R CB 0.533 30.878 30.300 0.075 0.000 1.351 243 R HN 0.560 nan 8.270 nan 0.000 0.575 244 I N 1.825 122.436 120.570 0.068 0.000 2.291 244 I HA 0.059 4.229 4.170 0.000 0.000 0.290 244 I C 0.302 176.430 176.117 0.017 0.000 1.050 244 I CA -0.140 61.196 61.300 0.060 0.000 1.245 244 I CB 1.558 39.589 38.000 0.052 0.000 1.405 244 I HN -0.025 nan 8.210 nan 0.000 0.478 245 T N 8.884 123.442 114.554 0.006 0.000 2.708 245 T HA 0.043 4.393 4.350 0.000 0.000 0.271 245 T C -2.143 172.527 174.700 -0.050 0.000 0.985 245 T CA -0.516 61.552 62.100 -0.053 0.000 1.229 245 T CB -0.415 68.429 68.868 -0.040 0.000 0.934 245 T HN 0.348 nan 8.240 nan 0.000 0.522 246 P HA 0.233 nan 4.420 nan 0.000 0.249 246 P C -0.552 176.691 177.300 -0.095 0.000 1.737 246 P CA -0.056 62.990 63.100 -0.090 0.000 1.128 246 P CB -0.176 31.463 31.700 -0.102 0.000 1.942 247 M N 2.615 122.172 119.600 -0.072 0.000 2.022 247 M HA 0.588 5.068 4.480 0.000 0.000 0.298 247 M C -0.378 175.874 176.300 -0.081 0.000 0.909 247 M CA 0.391 55.662 55.300 -0.048 0.000 0.914 247 M CB 1.070 33.684 32.600 0.023 0.000 1.486 247 M HN 0.469 nan 8.290 nan 0.000 0.415 248 G N 1.569 110.305 108.800 -0.108 0.000 2.497 248 G HA2 -0.090 3.870 3.960 0.000 0.000 0.686 248 G HA3 -0.090 3.870 3.960 0.000 0.000 0.686 248 G C -0.315 174.528 174.900 -0.095 0.000 1.288 248 G CA -0.621 44.415 45.100 -0.106 0.000 0.899 248 G HN 0.493 nan 8.290 nan 0.000 0.608 249 V N 0.237 120.124 119.914 -0.046 0.000 2.307 249 V HA -0.136 3.984 4.120 0.000 0.000 0.245 249 V C 2.990 179.089 176.094 0.008 0.000 1.045 249 V CA 2.381 64.690 62.300 0.016 0.000 1.024 249 V CB -0.596 31.265 31.823 0.064 0.000 0.651 249 V HN 0.736 nan 8.190 nan 0.000 0.449 250 V N -0.320 119.583 119.914 -0.018 0.000 2.379 250 V HA -0.144 3.976 4.120 0.000 0.000 0.245 250 V C 2.561 178.640 176.094 -0.025 0.000 1.044 250 V CA 1.599 63.891 62.300 -0.012 0.000 1.036 250 V CB -0.569 31.237 31.823 -0.028 0.000 0.664 250 V HN 0.525 nan 8.190 nan 0.000 0.453 251 E N 0.016 120.180 120.200 -0.059 0.000 2.150 251 E HA -0.146 4.204 4.350 0.000 0.000 0.193 251 E C 2.306 178.872 176.600 -0.058 0.000 0.985 251 E CA 1.560 57.926 56.400 -0.057 0.000 0.814 251 E CB -0.579 29.076 29.700 -0.074 0.000 0.752 251 E HN 0.555 nan 8.360 nan 0.000 0.466 252 T N 1.328 115.820 114.554 -0.103 0.000 2.746 252 T HA -0.117 4.234 4.350 0.000 0.000 0.267 252 T C 1.954 176.622 174.700 -0.053 0.000 1.039 252 T CA 1.520 63.519 62.100 -0.169 0.000 1.142 252 T CB -0.207 68.392 68.868 -0.449 0.000 0.866 252 T HN 0.286 nan 8.240 nan 0.000 0.444 253 A N 1.692 124.526 122.820 0.023 0.000 1.940 253 A HA -0.137 4.184 4.320 0.000 0.000 0.219 253 A C 2.389 180.020 177.584 0.079 0.000 1.176 253 A CA 1.316 53.413 52.037 0.100 0.000 0.631 253 A CB -0.470 18.591 19.000 0.101 0.000 0.814 253 A HN 0.319 nan 8.150 nan 0.000 0.446 254 R N -1.059 119.466 120.500 0.042 0.000 2.070 254 R HA -0.167 4.173 4.340 0.000 0.000 0.233 254 R C 2.444 178.772 176.300 0.047 0.000 1.137 254 R CA 1.573 57.696 56.100 0.039 0.000 0.945 254 R CB -1.091 29.221 30.300 0.021 0.000 0.845 254 R HN 0.673 nan 8.270 nan 0.000 0.430 255 C N 0.890 120.212 119.300 0.035 0.000 2.398 255 C HA -0.125 4.335 4.460 0.000 0.000 0.276 255 C C 2.604 177.636 174.990 0.070 0.000 1.222 255 C CA 0.827 59.870 59.018 0.042 0.000 1.746 255 C CB -0.986 26.766 27.740 0.020 0.000 2.039 255 C HN 0.438 nan 8.230 nan 0.000 0.470 256 I N -0.232 120.395 120.570 0.096 0.000 2.439 256 I HA -0.101 4.069 4.170 0.000 0.000 0.251 256 I C 2.869 179.112 176.117 0.210 0.000 1.139 256 I CA 1.180 62.574 61.300 0.157 0.000 1.438 256 I CB -0.580 37.541 38.000 0.202 0.000 1.085 256 I HN 0.334 nan 8.210 nan 0.000 0.427 257 R N 0.840 121.427 120.500 0.145 0.000 2.075 257 R HA -0.082 4.258 4.340 0.000 0.000 0.232 257 R C 2.533 178.863 176.300 0.051 0.000 1.126 257 R CA 1.427 57.591 56.100 0.106 0.000 0.963 257 R CB -0.370 29.976 30.300 0.076 0.000 0.858 257 R HN 0.332 nan 8.270 nan 0.000 0.435 258 A N 1.304 124.144 122.820 0.034 0.000 1.865 258 A HA -0.202 4.119 4.320 0.000 0.000 0.217 258 A C 2.132 179.672 177.584 -0.074 0.000 1.191 258 A CA 1.520 53.552 52.037 -0.008 0.000 0.623 258 A CB -0.671 18.334 19.000 0.007 0.000 0.826 258 A HN 0.219 nan 8.150 nan 0.000 0.444 259 I N -0.509 120.016 120.570 -0.075 0.000 2.151 259 I HA -0.395 3.775 4.170 0.000 0.000 0.243 259 I C 2.819 178.864 176.117 -0.119 0.000 1.080 259 I CA 2.115 63.292 61.300 -0.205 0.000 1.339 259 I CB -0.501 37.492 38.000 -0.011 0.000 1.039 259 I HN 0.595 nan 8.210 nan 0.000 0.409 260 Q N 0.989 120.793 119.800 0.006 0.000 2.096 260 Q HA -0.232 4.108 4.340 0.000 0.000 0.208 260 Q C 2.222 178.139 176.000 -0.139 0.000 0.993 260 Q CA 2.404 58.111 55.803 -0.161 0.000 0.862 260 Q CB -0.451 28.198 28.738 -0.148 0.000 0.915 260 Q HN 0.571 nan 8.270 nan 0.000 0.416 261 G N -0.222 108.525 108.800 -0.088 0.000 2.421 261 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 261 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 261 G C 1.419 176.279 174.900 -0.066 0.000 1.171 261 G CA 0.874 45.935 45.100 -0.066 0.000 0.775 261 G HN 0.316 nan 8.290 nan 0.000 0.543 262 V N 0.723 120.574 119.914 -0.105 0.000 2.594 262 V HA -0.055 4.066 4.120 0.000 0.000 0.253 262 V C 2.734 178.809 176.094 -0.032 0.000 1.069 262 V CA 1.244 63.483 62.300 -0.103 0.000 1.082 262 V CB -0.179 31.503 31.823 -0.235 0.000 0.680 262 V HN 0.332 nan 8.190 nan 0.000 0.469 263 L N -0.875 120.327 121.223 -0.033 0.000 2.200 263 L HA 0.055 4.395 4.340 0.000 0.000 0.200 263 L C 2.251 179.204 176.870 0.139 0.000 1.072 263 L CA 0.730 55.647 54.840 0.128 0.000 0.787 263 L CB -0.689 41.402 42.059 0.053 0.000 0.957 263 L HN 0.250 nan 8.230 nan 0.000 0.459 264 N N 1.028 119.739 118.700 0.017 0.000 2.272 264 N HA -0.154 4.586 4.740 0.000 0.000 0.185 264 N C 1.744 177.270 175.510 0.026 0.000 1.014 264 N CA 1.402 54.458 53.050 0.010 0.000 0.870 264 N CB -0.210 38.249 38.487 -0.047 0.000 0.975 264 N HN 0.292 nan 8.380 nan 0.000 0.433 265 A N 0.314 123.146 122.820 0.020 0.000 2.067 265 A HA -0.086 4.235 4.320 0.000 0.000 0.219 265 A C 1.569 179.160 177.584 0.012 0.000 1.158 265 A CA 1.000 53.043 52.037 0.010 0.000 0.661 265 A CB -0.112 18.889 19.000 0.002 0.000 0.801 265 A HN 0.380 nan 8.150 nan 0.000 0.452 266 Q N -1.774 118.052 119.800 0.043 0.000 2.172 266 Q HA 0.379 4.719 4.340 0.000 0.000 0.217 266 Q C 0.727 176.745 176.000 0.030 0.000 0.832 266 Q CA 0.246 56.033 55.803 -0.026 0.000 1.010 266 Q CB 0.693 29.342 28.738 -0.149 0.000 1.133 266 Q HN 0.749 nan 8.270 nan 0.000 0.489 267 G N 0.649 109.511 108.800 0.104 0.000 2.144 267 G HA2 -0.320 3.641 3.960 0.000 0.000 0.218 267 G HA3 -0.320 3.641 3.960 0.000 0.000 0.218 267 G C 0.858 175.869 174.900 0.185 0.000 0.988 267 G CA 0.100 45.269 45.100 0.115 0.000 0.659 267 G HN 0.418 nan 8.290 nan 0.000 0.522 268 A N 0.295 123.265 122.820 0.250 0.000 1.978 268 A HA 0.404 4.725 4.320 0.000 0.000 0.220 268 A C 2.854 180.466 177.584 0.046 0.000 1.170 268 A CA 2.399 54.536 52.037 0.166 0.000 0.636 268 A CB -0.762 18.294 19.000 0.094 0.000 0.810 268 A HN 2.542 nan 8.150 nan 0.000 0.448 269 G N -1.245 107.565 108.800 0.017 0.000 2.246 269 G HA2 -0.022 3.938 3.960 0.000 0.000 0.273 269 G HA3 -0.022 3.938 3.960 0.000 0.000 0.273 269 G C 0.149 175.012 174.900 -0.061 0.000 1.055 269 G CA 0.635 45.726 45.100 -0.016 0.000 0.851 269 G HN 1.877 nan 8.290 nan 0.000 0.500 270 V N -2.708 117.126 119.914 -0.134 0.000 2.495 270 V HA 0.797 4.917 4.120 0.000 0.000 0.298 270 V C -0.144 175.738 176.094 -0.353 0.000 1.031 270 V CA -1.663 60.490 62.300 -0.244 0.000 0.871 270 V CB 2.166 33.766 31.823 -0.371 0.000 0.988 270 V HN 0.287 nan 8.190 nan 0.000 0.432 271 N N 3.250 121.810 118.700 -0.235 0.000 2.446 271 N HA 0.378 5.118 4.740 0.000 0.000 0.265 271 N C -0.527 174.959 175.510 -0.040 0.000 0.975 271 N CA -0.386 52.565 53.050 -0.165 0.000 0.928 271 N CB 1.559 40.019 38.487 -0.044 0.000 1.160 271 N HN 0.795 nan 8.380 nan 0.000 0.495 272 Y N 1.480 121.808 120.300 0.046 0.000 2.482 272 Y HA 0.116 4.667 4.550 0.000 0.000 0.270 272 Y C 1.836 177.830 175.900 0.157 0.000 1.152 272 Y CA -0.109 58.051 58.100 0.100 0.000 1.292 272 Y CB 0.027 38.546 38.460 0.097 0.000 1.070 272 Y HN 0.560 nan 8.280 nan 0.000 0.528 273 E N 0.878 121.215 120.200 0.229 0.000 2.130 273 E HA -0.193 4.157 4.350 0.000 0.000 0.196 273 E C 2.312 178.998 176.600 0.143 0.000 0.998 273 E CA 1.388 57.884 56.400 0.161 0.000 0.806 273 E CB -0.170 29.584 29.700 0.091 0.000 0.738 273 E HN 0.353 nan 8.360 nan 0.000 0.459 274 A N -0.768 122.142 122.820 0.151 0.000 2.016 274 A HA -0.071 4.250 4.320 0.000 0.000 0.217 274 A C 2.006 179.663 177.584 0.121 0.000 1.162 274 A CA 0.830 52.932 52.037 0.108 0.000 0.662 274 A CB -0.620 18.434 19.000 0.091 0.000 0.812 274 A HN 0.393 nan 8.150 nan 0.000 0.450 275 F N 0.764 120.745 119.950 0.051 0.000 2.146 275 F HA -0.076 4.451 4.527 0.000 0.000 0.298 275 F C 1.855 177.641 175.800 -0.023 0.000 1.096 275 F CA 1.481 59.487 58.000 0.011 0.000 1.275 275 F CB -0.172 38.840 39.000 0.020 0.000 1.008 275 F HN 0.169 nan 8.300 nan 0.000 0.480 276 I N 0.210 120.812 120.570 0.053 0.000 2.226 276 I HA -0.266 3.904 4.170 0.000 0.000 0.245 276 I C 2.510 178.547 176.117 -0.132 0.000 1.100 276 I CA 1.753 63.035 61.300 -0.031 0.000 1.374 276 I CB -0.672 37.417 38.000 0.147 0.000 1.057 276 I HN 0.254 nan 8.210 nan 0.000 0.413 277 E N 0.887 121.046 120.200 -0.068 0.000 2.051 277 E HA -0.298 4.052 4.350 0.000 0.000 0.192 277 E C 2.259 178.764 176.600 -0.157 0.000 0.991 277 E CA 1.283 57.636 56.400 -0.078 0.000 0.799 277 E CB -0.102 29.579 29.700 -0.032 0.000 0.748 277 E HN 0.414 nan 8.360 nan 0.000 0.449 278 Q N -0.021 119.659 119.800 -0.200 0.000 2.079 278 Q HA -0.192 4.148 4.340 0.000 0.000 0.200 278 Q C 2.077 177.861 176.000 -0.359 0.000 0.974 278 Q CA 1.289 56.953 55.803 -0.230 0.000 0.840 278 Q CB 0.048 28.682 28.738 -0.174 0.000 0.898 278 Q HN 0.365 nan 8.270 nan 0.000 0.430 279 Q N -0.447 118.983 119.800 -0.618 0.000 2.119 279 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 279 Q C 1.991 177.603 176.000 -0.646 0.000 0.972 279 Q CA 1.699 57.003 55.803 -0.833 0.000 0.847 279 Q CB -0.306 27.483 28.738 -1.583 0.000 0.903 279 Q HN 0.374 nan 8.270 nan 0.000 0.433 280 T N 0.759 115.045 114.554 -0.447 0.000 2.904 280 T HA -0.075 4.275 4.350 0.000 0.000 0.267 280 T C 1.861 176.504 174.700 -0.094 0.000 1.059 280 T CA 1.046 63.033 62.100 -0.190 0.000 1.137 280 T CB 0.064 68.896 68.868 -0.060 0.000 0.879 280 T HN 0.228 nan 8.240 nan 0.000 0.467 281 R N 0.620 121.052 120.500 -0.114 0.000 2.075 281 R HA 0.071 4.411 4.340 0.000 0.000 0.220 281 R C 2.169 178.424 176.300 -0.075 0.000 1.118 281 R CA 1.028 57.088 56.100 -0.067 0.000 0.986 281 R CB 0.178 30.431 30.300 -0.077 0.000 0.884 281 R HN 0.375 nan 8.270 nan 0.000 0.439 282 E N -0.702 119.425 120.200 -0.122 0.000 2.127 282 E HA -0.038 4.312 4.350 0.000 0.000 0.191 282 E C 1.853 178.396 176.600 -0.094 0.000 0.964 282 E CA 0.812 57.148 56.400 -0.105 0.000 0.832 282 E CB 0.482 30.113 29.700 -0.116 0.000 0.790 282 E HN 0.097 nan 8.360 nan 0.000 0.465 283 V N 0.532 120.355 119.914 -0.151 0.000 2.436 283 V HA -0.017 4.103 4.120 0.000 0.000 0.240 283 V C 1.184 177.259 176.094 -0.032 0.000 1.040 283 V CA 0.385 62.622 62.300 -0.105 0.000 1.052 283 V CB 0.504 32.228 31.823 -0.164 0.000 0.707 283 V HN 0.050 nan 8.190 nan 0.000 0.469 284 S N 0.262 115.936 115.700 -0.043 0.000 2.562 284 S HA 0.041 4.511 4.470 0.000 0.000 0.281 284 S C 0.747 175.390 174.600 0.071 0.000 1.333 284 S CA -0.249 57.993 58.200 0.070 0.000 1.052 284 S CB 0.782 64.081 63.200 0.165 0.000 0.884 284 S HN 0.379 nan 8.310 nan 0.000 0.506 285 Q N 3.029 122.885 119.800 0.094 0.000 2.282 285 Q HA 0.252 4.592 4.340 0.000 0.000 0.206 285 Q C 1.930 178.016 176.000 0.144 0.000 0.878 285 Q CA 0.595 56.487 55.803 0.149 0.000 0.944 285 Q CB -0.086 28.730 28.738 0.129 0.000 1.100 285 Q HN 0.799 nan 8.270 nan 0.000 0.509 286 A N 1.081 123.961 122.820 0.099 0.000 1.933 286 A HA -0.054 4.266 4.320 0.000 0.000 0.218 286 A C 2.243 179.904 177.584 0.128 0.000 1.175 286 A CA 1.705 53.797 52.037 0.091 0.000 0.628 286 A CB -0.420 18.607 19.000 0.044 0.000 0.814 286 A HN 0.322 nan 8.150 nan 0.000 0.444 287 A N -0.922 121.974 122.820 0.127 0.000 1.877 287 A HA -0.198 4.122 4.320 0.000 0.000 0.216 287 A C 2.163 179.846 177.584 0.166 0.000 1.186 287 A CA 1.406 53.516 52.037 0.122 0.000 0.620 287 A CB -1.072 17.995 19.000 0.110 0.000 0.822 287 A HN 0.899 nan 8.150 nan 0.000 0.443 288 W N -0.315 121.002 121.300 0.029 0.000 2.358 288 W HA -0.259 4.401 4.660 0.000 0.000 0.303 288 W C 1.845 178.375 176.519 0.018 0.000 1.208 288 W CA 1.635 58.986 57.345 0.010 0.000 1.274 288 W CB -0.409 29.053 29.460 0.004 0.000 1.138 288 W HN 0.388 nan 8.180 nan 0.000 0.515 289 F N 3.155 122.856 119.950 -0.414 0.000 2.120 289 F HA -0.323 4.204 4.527 0.000 0.000 0.300 289 F C 2.808 178.347 175.800 -0.434 0.000 1.095 289 F CA 3.083 60.756 58.000 -0.544 0.000 1.249 289 F CB -0.819 37.988 39.000 -0.322 0.000 0.995 289 F HN -0.077 nan 8.300 nan 0.000 0.480 290 S N 0.130 115.670 115.700 -0.267 0.000 2.442 290 S HA -0.153 4.317 4.470 0.000 0.000 0.236 290 S C 1.971 176.378 174.600 -0.322 0.000 1.007 290 S CA 0.890 58.933 58.200 -0.261 0.000 0.965 290 S CB -0.549 62.611 63.200 -0.066 0.000 0.773 290 S HN 0.484 nan 8.310 nan 0.000 0.504 291 R N 1.662 121.969 120.500 -0.322 0.000 2.254 291 R HA 0.212 4.552 4.340 0.000 0.000 0.195 291 R C 1.223 177.300 176.300 -0.371 0.000 0.957 291 R CA 0.654 56.630 56.100 -0.207 0.000 1.024 291 R CB -0.319 30.026 30.300 0.075 0.000 0.952 291 R HN 0.654 nan 8.270 nan 0.000 0.484 292 S N 1.158 116.387 115.700 -0.785 0.000 2.608 292 S HA 0.035 4.505 4.470 0.000 0.000 0.261 292 S C 1.463 175.760 174.600 -0.505 0.000 1.314 292 S CA -0.525 57.167 58.200 -0.847 0.000 0.992 292 S CB 0.821 63.296 63.200 -1.210 0.000 0.935 292 S HN 0.219 nan 8.310 nan 0.000 0.564 293 I N -1.542 118.836 120.570 -0.320 0.000 2.830 293 I HA 0.064 4.234 4.170 0.000 0.000 0.263 293 I C 1.395 177.385 176.117 -0.211 0.000 1.230 293 I CA 1.113 62.293 61.300 -0.199 0.000 1.480 293 I CB -0.601 37.346 38.000 -0.088 0.000 1.095 293 I HN 0.487 nan 8.210 nan 0.000 0.455 294 D N 0.533 120.752 120.400 -0.302 0.000 2.097 294 D HA -0.191 4.450 4.640 0.000 0.000 0.197 294 D C 2.233 178.382 176.300 -0.251 0.000 0.984 294 D CA 1.685 55.574 54.000 -0.185 0.000 0.826 294 D CB -0.393 40.205 40.800 -0.336 0.000 0.973 294 D HN 0.542 nan 8.370 nan 0.000 0.460 295 C N 0.758 119.610 119.300 -0.748 0.000 2.440 295 C HA -0.057 4.404 4.460 0.000 0.000 0.278 295 C C 2.646 177.427 174.990 -0.349 0.000 1.295 295 C CA 0.876 59.464 59.018 -0.718 0.000 1.738 295 C CB -0.986 26.018 27.740 -1.226 0.000 1.987 295 C HN 0.331 nan 8.230 nan 0.000 0.492 296 Q N 0.472 120.085 119.800 -0.311 0.000 2.152 296 Q HA -0.211 4.130 4.340 0.000 0.000 0.206 296 Q C 1.632 177.555 176.000 -0.129 0.000 0.985 296 Q CA 2.002 57.692 55.803 -0.188 0.000 0.863 296 Q CB -0.202 28.443 28.738 -0.154 0.000 0.904 296 Q HN 0.666 nan 8.270 nan 0.000 0.422 297 N N 0.168 118.806 118.700 -0.104 0.000 2.453 297 N HA -0.095 4.645 4.740 0.000 0.000 0.183 297 N C 1.443 176.904 175.510 -0.081 0.000 1.041 297 N CA 0.783 53.799 53.050 -0.057 0.000 0.900 297 N CB -0.050 38.434 38.487 -0.005 0.000 0.961 297 N HN 0.351 nan 8.380 nan 0.000 0.443 298 L N 0.306 121.448 121.223 -0.134 0.000 2.418 298 L HA 0.052 4.392 4.340 0.000 0.000 0.218 298 L C 0.162 176.911 176.870 -0.201 0.000 1.125 298 L CA 0.222 54.917 54.840 -0.242 0.000 0.835 298 L CB -0.831 41.010 42.059 -0.363 0.000 0.953 298 L HN -0.037 nan 8.230 nan 0.000 0.454 299 T N 1.024 115.495 114.554 -0.138 0.000 2.819 299 T HA 0.159 4.509 4.350 0.000 0.000 0.282 299 T C 1.319 175.982 174.700 -0.062 0.000 1.013 299 T CA 0.801 62.843 62.100 -0.097 0.000 1.159 299 T CB 0.537 69.357 68.868 -0.080 0.000 1.007 299 T HN 0.595 nan 8.240 nan 0.000 0.514 300 G N 2.535 111.316 108.800 -0.031 0.000 2.179 300 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 300 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 300 G C 0.186 175.130 174.900 0.075 0.000 0.977 300 G CA 0.042 45.159 45.100 0.027 0.000 0.641 300 G HN 0.717 nan 8.290 nan 0.000 0.533 301 K N 0.643 121.051 120.400 0.012 0.000 2.295 301 K HA 0.352 4.672 4.320 0.000 0.000 0.270 301 K C 0.346 177.026 176.600 0.134 0.000 1.011 301 K CA -0.022 56.296 56.287 0.051 0.000 0.953 301 K CB 0.683 33.169 32.500 -0.025 0.000 0.956 301 K HN 0.171 nan 8.250 nan 0.000 0.477 302 K N 1.170 121.647 120.400 0.129 0.000 2.234 302 K HA 0.337 4.657 4.320 0.000 0.000 0.282 302 K C -0.660 176.013 176.600 0.122 0.000 1.039 302 K CA -0.284 56.026 56.287 0.038 0.000 0.928 302 K CB 1.523 33.962 32.500 -0.101 0.000 1.039 302 K HN 0.622 nan 8.250 nan 0.000 0.470 303 A N 1.876 124.743 122.820 0.079 0.000 2.469 303 A HA 0.723 5.043 4.320 0.000 0.000 0.299 303 A C -1.034 176.455 177.584 -0.159 0.000 1.098 303 A CA -0.790 51.294 52.037 0.079 0.000 0.737 303 A CB 1.302 20.530 19.000 0.380 0.000 1.312 303 A HN 0.507 nan 8.150 nan 0.000 0.414 304 V N -1.247 118.496 119.914 -0.285 0.000 2.864 304 V HA 0.936 5.056 4.120 0.000 0.000 0.314 304 V C -0.832 175.096 176.094 -0.277 0.000 1.073 304 V CA -0.749 61.138 62.300 -0.688 0.000 0.956 304 V CB 1.411 32.342 31.823 -1.487 0.000 1.023 304 V HN 0.872 nan 8.190 nan 0.000 0.435 305 V N 3.701 123.515 119.914 -0.168 0.000 2.686 305 V HA 0.715 4.835 4.120 0.000 0.000 0.306 305 V C -1.093 175.237 176.094 0.393 0.000 1.065 305 V CA -0.266 62.139 62.300 0.176 0.000 0.894 305 V CB 1.659 33.597 31.823 0.191 0.000 1.004 305 V HN 0.967 nan 8.190 nan 0.000 0.424 306 F N 2.587 122.666 119.950 0.215 0.000 2.615 306 F HA 0.887 5.414 4.527 0.000 0.000 0.312 306 F C 0.139 176.027 175.800 0.147 0.000 1.119 306 F CA 0.615 58.750 58.000 0.225 0.000 0.979 306 F CB 2.137 41.333 39.000 0.327 0.000 1.266 306 F HN 0.833 nan 8.300 nan 0.000 0.444 307 G N 3.734 112.146 108.800 -0.647 0.000 2.392 307 G HA2 0.301 4.262 3.960 0.000 0.000 0.260 307 G HA3 0.301 4.262 3.960 0.000 0.000 0.260 307 G C -1.808 172.654 174.900 -0.730 0.000 1.226 307 G CA -0.209 44.700 45.100 -0.319 0.000 0.913 307 G HN 0.741 nan 8.290 nan 0.000 0.483 308 D N -0.280 119.819 120.400 -0.502 0.000 2.411 308 D HA 0.309 4.949 4.640 0.000 0.000 0.251 308 D C 0.987 177.062 176.300 -0.374 0.000 1.201 308 D CA -0.507 53.051 54.000 -0.736 0.000 0.996 308 D CB 0.436 41.055 40.800 -0.302 0.000 1.101 308 D HN 0.130 nan 8.370 nan 0.000 0.504 309 N N -0.556 117.970 118.700 -0.290 0.000 2.043 309 N HA -0.135 4.605 4.740 0.000 0.000 0.193 309 N C 1.668 177.300 175.510 0.202 0.000 1.037 309 N CA 1.990 55.075 53.050 0.059 0.000 0.851 309 N CB -0.818 37.653 38.487 -0.026 0.000 1.027 309 N HN 0.544 nan 8.380 nan 0.000 0.422 310 T N -0.052 114.486 114.554 -0.028 0.000 2.684 310 T HA -0.123 4.227 4.350 0.000 0.000 0.267 310 T C 1.462 176.141 174.700 -0.035 0.000 1.036 310 T CA 1.602 63.667 62.100 -0.058 0.000 1.148 310 T CB -0.387 68.341 68.868 -0.234 0.000 0.863 310 T HN 0.468 nan 8.240 nan 0.000 0.436 311 H N 0.264 119.392 119.070 0.097 0.000 2.431 311 H HA 0.445 5.001 4.556 0.000 0.000 0.295 311 H C 2.406 177.788 175.328 0.089 0.000 1.038 311 H CA 0.754 56.860 56.048 0.097 0.000 1.360 311 H CB -0.141 29.637 29.762 0.027 0.000 1.433 311 H HN 0.353 nan 8.280 nan 0.000 0.536 312 A N 0.888 123.827 122.820 0.199 0.000 1.968 312 A HA 0.012 4.332 4.320 0.000 0.000 0.217 312 A C 2.362 180.108 177.584 0.271 0.000 1.169 312 A CA 1.277 53.451 52.037 0.228 0.000 0.638 312 A CB -0.695 18.407 19.000 0.170 0.000 0.812 312 A HN 0.447 nan 8.150 nan 0.000 0.446 313 A N -0.230 122.756 122.820 0.278 0.000 1.898 313 A HA 0.326 4.646 4.320 0.000 0.000 0.214 313 A C 2.456 180.004 177.584 -0.061 0.000 1.183 313 A CA 1.569 53.614 52.037 0.013 0.000 0.622 313 A CB -0.877 18.121 19.000 -0.003 0.000 0.824 313 A HN 0.904 nan 8.150 nan 0.000 0.444 314 A N -0.821 122.007 122.820 0.014 0.000 1.898 314 A HA -0.095 4.226 4.320 0.000 0.000 0.216 314 A C 2.160 179.694 177.584 -0.083 0.000 1.181 314 A CA 2.195 54.205 52.037 -0.046 0.000 0.620 314 A CB -0.492 18.514 19.000 0.010 0.000 0.819 314 A HN 0.519 nan 8.150 nan 0.000 0.442 315 M N 0.110 119.694 119.600 -0.026 0.000 2.117 315 M HA -0.093 4.387 4.480 0.000 0.000 0.262 315 M C 1.970 178.191 176.300 -0.130 0.000 1.065 315 M CA 2.468 57.713 55.300 -0.091 0.000 1.114 315 M CB -1.127 31.449 32.600 -0.040 0.000 1.361 315 M HN 0.353 nan 8.290 nan 0.000 0.408 316 T N 0.990 115.496 114.554 -0.079 0.000 2.720 316 T HA -0.153 4.197 4.350 0.000 0.000 0.268 316 T C 1.663 176.258 174.700 -0.175 0.000 1.037 316 T CA 1.838 63.895 62.100 -0.072 0.000 1.144 316 T CB -0.246 68.612 68.868 -0.016 0.000 0.864 316 T HN 0.498 nan 8.240 nan 0.000 0.444 317 K N 0.553 120.746 120.400 -0.345 0.000 2.217 317 K HA 0.150 4.471 4.320 0.000 0.000 0.202 317 K C 2.158 178.553 176.600 -0.342 0.000 1.051 317 K CA 0.729 56.653 56.287 -0.606 0.000 0.952 317 K CB -0.217 31.743 32.500 -0.901 0.000 0.736 317 K HN 0.334 nan 8.250 nan 0.000 0.453 318 I N 1.492 121.922 120.570 -0.232 0.000 2.202 318 I HA -0.261 3.909 4.170 0.000 0.000 0.242 318 I C 2.274 178.315 176.117 -0.127 0.000 1.091 318 I CA 1.119 62.319 61.300 -0.167 0.000 1.368 318 I CB -0.237 37.663 38.000 -0.167 0.000 1.058 318 I HN 0.072 nan 8.210 nan 0.000 0.410 319 L N -0.345 120.796 121.223 -0.136 0.000 1.989 319 L HA -0.247 4.093 4.340 0.000 0.000 0.211 319 L C 2.671 179.527 176.870 -0.024 0.000 1.071 319 L CA 1.489 56.278 54.840 -0.085 0.000 0.749 319 L CB -0.637 41.371 42.059 -0.086 0.000 0.890 319 L HN 0.187 nan 8.230 nan 0.000 0.431 320 S N -1.037 114.667 115.700 0.006 0.000 2.335 320 S HA -0.120 4.350 4.470 0.000 0.000 0.217 320 S C 2.098 176.743 174.600 0.076 0.000 1.032 320 S CA 0.914 59.162 58.200 0.080 0.000 0.985 320 S CB -0.129 63.203 63.200 0.220 0.000 0.896 320 S HN 0.285 nan 8.310 nan 0.000 0.445 321 R N 0.946 121.481 120.500 0.060 0.000 2.119 321 R HA 0.040 4.380 4.340 0.000 0.000 0.222 321 R C 1.281 177.589 176.300 0.013 0.000 1.088 321 R CA 1.125 57.268 56.100 0.071 0.000 0.984 321 R CB 0.037 30.364 30.300 0.046 0.000 0.884 321 R HN 0.450 nan 8.270 nan 0.000 0.447 322 E N -1.103 119.086 120.200 -0.020 0.000 2.473 322 E HA 0.075 4.425 4.350 0.000 0.000 0.204 322 E C 1.034 177.634 176.600 -0.001 0.000 0.994 322 E CA 0.238 56.631 56.400 -0.011 0.000 0.945 322 E CB 0.665 30.353 29.700 -0.020 0.000 0.990 322 E HN 0.296 nan 8.360 nan 0.000 0.493 323 M N -0.718 118.876 119.600 -0.010 0.000 2.314 323 M HA 0.244 4.724 4.480 0.000 0.000 0.383 323 M C 0.758 177.026 176.300 -0.053 0.000 0.984 323 M CA 0.189 55.480 55.300 -0.015 0.000 0.982 323 M CB 1.790 34.410 32.600 0.033 0.000 1.745 323 M HN 0.175 nan 8.290 nan 0.000 0.600 324 G N 2.386 111.164 108.800 -0.037 0.000 2.168 324 G HA2 -0.256 3.704 3.960 0.000 0.000 0.257 324 G HA3 -0.256 3.704 3.960 0.000 0.000 0.257 324 G C 0.054 174.929 174.900 -0.041 0.000 0.997 324 G CA 0.170 45.244 45.100 -0.043 0.000 0.708 324 G HN 0.478 nan 8.290 nan 0.000 0.520 325 I N -0.301 120.252 120.570 -0.029 0.000 2.720 325 I HA 0.228 4.398 4.170 0.000 0.000 0.287 325 I C 1.031 177.207 176.117 0.098 0.000 1.090 325 I CA -0.566 60.734 61.300 -0.000 0.000 1.384 325 I CB 0.829 38.825 38.000 -0.007 0.000 1.420 325 I HN 0.268 nan 8.210 nan 0.000 0.575 326 H N 5.203 124.281 119.070 0.014 0.000 2.787 326 H HA 0.367 4.924 4.556 0.000 0.000 0.275 326 H C -1.139 174.215 175.328 0.042 0.000 1.183 326 H CA -0.851 55.213 56.048 0.027 0.000 1.290 326 H CB 0.632 30.406 29.762 0.020 0.000 1.438 326 H HN 0.293 nan 8.280 nan 0.000 0.487 327 V N 7.469 127.548 119.914 0.274 0.000 2.372 327 V HA -0.056 4.064 4.120 0.000 0.000 0.261 327 V C 1.214 177.373 176.094 0.109 0.000 1.055 327 V CA -0.166 62.208 62.300 0.123 0.000 0.930 327 V CB 0.584 32.479 31.823 0.120 0.000 1.031 327 V HN 0.705 nan 8.190 nan 0.000 0.479 328 V N 4.821 124.676 119.914 -0.099 0.000 2.307 328 V HA -0.039 4.081 4.120 0.000 0.000 0.245 328 V C 0.776 176.965 176.094 0.158 0.000 1.045 328 V CA 1.595 63.848 62.300 -0.078 0.000 1.024 328 V CB -0.235 31.461 31.823 -0.213 0.000 0.651 328 V HN 0.938 nan 8.190 nan 0.000 0.449 329 W N -1.830 119.528 121.300 0.096 0.000 3.167 329 W HA 0.797 5.458 4.660 0.000 0.000 0.324 329 W C -1.032 175.598 176.519 0.185 0.000 1.230 329 W CA -1.063 56.360 57.345 0.131 0.000 1.184 329 W CB 1.538 31.064 29.460 0.109 0.000 1.414 329 W HN -0.044 nan 8.180 nan 0.000 0.551 330 A N 1.410 124.601 122.820 0.617 0.000 2.386 330 A HA 0.967 5.287 4.320 0.000 0.000 0.311 330 A C -0.568 177.462 177.584 0.743 0.000 1.068 330 A CA -0.264 52.131 52.037 0.597 0.000 0.743 330 A CB 1.693 20.944 19.000 0.419 0.000 1.258 330 A HN 1.229 nan 8.150 nan 0.000 0.429 331 G N -0.804 108.369 108.800 0.621 0.000 2.708 331 G HA2 0.722 4.683 3.960 0.000 0.000 0.289 331 G HA3 0.722 4.683 3.960 0.000 0.000 0.289 331 G C -0.925 173.570 174.900 -0.675 0.000 1.416 331 G CA 0.079 45.317 45.100 0.230 0.000 0.829 331 G HN 1.173 nan 8.290 nan 0.000 0.480 332 T N -1.780 112.188 114.554 -0.977 0.000 2.868 332 T HA 0.485 4.836 4.350 0.000 0.000 0.306 332 T C -0.192 174.019 174.700 -0.815 0.000 1.224 332 T CA -0.370 60.952 62.100 -1.296 0.000 1.012 332 T CB 1.387 69.389 68.868 -1.442 0.000 1.221 332 T HN 0.925 nan 8.240 nan 0.000 0.499 333 Y N -0.442 119.467 120.300 -0.650 0.000 2.467 333 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 333 Y C 1.081 176.906 175.900 -0.126 0.000 1.155 333 Y CA -0.751 57.196 58.100 -0.255 0.000 1.249 333 Y CB -0.734 37.585 38.460 -0.236 0.000 1.146 333 Y HN 0.445 nan 8.280 nan 0.000 0.524 334 C N 3.745 122.818 119.300 -0.378 0.000 3.183 334 C HA 0.122 4.582 4.460 0.000 0.000 0.545 334 C C 1.716 176.528 174.990 -0.296 0.000 1.044 334 C CA -0.478 58.380 59.018 -0.266 0.000 1.117 334 C CB -1.821 25.640 27.740 -0.465 0.000 1.393 334 C HN 0.565 nan 8.230 nan 0.000 0.611 335 K N 1.135 121.494 120.400 -0.070 0.000 2.127 335 K HA -0.232 4.088 4.320 0.000 0.000 0.208 335 K C 1.530 178.095 176.600 -0.058 0.000 1.047 335 K CA 1.846 58.117 56.287 -0.026 0.000 0.927 335 K CB -0.249 32.299 32.500 0.079 0.000 0.716 335 K HN 0.913 nan 8.250 nan 0.000 0.450 336 Y N -0.208 120.103 120.300 0.019 0.000 2.571 336 Y HA 0.032 4.583 4.550 0.000 0.000 0.294 336 Y C 0.840 176.760 175.900 0.033 0.000 1.141 336 Y CA 0.526 58.641 58.100 0.025 0.000 1.308 336 Y CB -0.079 38.389 38.460 0.014 0.000 1.002 336 Y HN -0.093 nan 8.280 nan 0.000 0.551 337 D N -0.136 119.786 120.400 -0.797 0.000 2.673 337 D HA 0.337 4.977 4.640 0.000 0.000 0.278 337 D C 1.646 177.861 176.300 -0.142 0.000 1.393 337 D CA 0.438 54.148 54.000 -0.483 0.000 0.805 337 D CB 0.248 40.593 40.800 -0.758 0.000 1.110 337 D HN 0.271 nan 8.370 nan 0.000 0.476 338 A N 0.255 123.019 122.820 -0.093 0.000 1.940 338 A HA -0.191 4.129 4.320 0.000 0.000 0.219 338 A C 1.797 179.466 177.584 0.142 0.000 1.176 338 A CA 1.512 53.571 52.037 0.037 0.000 0.631 338 A CB -0.186 18.825 19.000 0.018 0.000 0.814 338 A HN 0.236 nan 8.150 nan 0.000 0.446 339 D N -1.595 118.873 120.400 0.113 0.000 2.144 339 D HA -0.175 4.465 4.640 0.000 0.000 0.200 339 D C 1.614 177.995 176.300 0.135 0.000 0.978 339 D CA 1.259 55.324 54.000 0.107 0.000 0.833 339 D CB -0.423 40.428 40.800 0.086 0.000 0.961 339 D HN 0.796 nan 8.370 nan 0.000 0.470 340 W N 0.829 122.136 121.300 0.012 0.000 2.342 340 W HA -0.236 4.424 4.660 0.000 0.000 0.297 340 W C 2.055 178.588 176.519 0.024 0.000 1.213 340 W CA 1.051 58.402 57.345 0.010 0.000 1.251 340 W CB -0.438 29.019 29.460 -0.004 0.000 1.136 340 W HN -0.101 nan 8.180 nan 0.000 0.526 341 F N 1.304 121.334 119.950 0.133 0.000 2.098 341 F HA -0.073 4.454 4.527 0.000 0.000 0.294 341 F C 2.480 178.202 175.800 -0.130 0.000 1.107 341 F CA 2.242 60.248 58.000 0.009 0.000 1.234 341 F CB -0.757 38.289 39.000 0.077 0.000 1.002 341 F HN -0.298 nan 8.300 nan 0.000 0.472 342 R N 0.230 120.746 120.500 0.027 0.000 2.117 342 R HA -0.189 4.151 4.340 0.000 0.000 0.243 342 R C 2.382 178.572 176.300 -0.182 0.000 1.143 342 R CA 1.387 57.457 56.100 -0.051 0.000 0.968 342 R CB -0.926 29.398 30.300 0.040 0.000 0.863 342 R HN 0.417 nan 8.270 nan 0.000 0.444 343 A N 1.112 123.796 122.820 -0.227 0.000 1.897 343 A HA -0.127 4.193 4.320 0.000 0.000 0.215 343 A C 1.918 179.278 177.584 -0.373 0.000 1.181 343 A CA 1.040 52.919 52.037 -0.264 0.000 0.620 343 A CB -0.160 18.689 19.000 -0.251 0.000 0.821 343 A HN 0.135 nan 8.150 nan 0.000 0.443 344 E N -0.105 119.707 120.200 -0.647 0.000 2.110 344 E HA -0.133 4.217 4.350 0.000 0.000 0.193 344 E C 2.016 178.402 176.600 -0.356 0.000 0.988 344 E CA 1.791 57.794 56.400 -0.660 0.000 0.804 344 E CB -0.396 28.642 29.700 -1.103 0.000 0.745 344 E HN 0.651 nan 8.360 nan 0.000 0.458 345 V N -1.873 117.797 119.914 -0.406 0.000 3.647 345 V HA 0.426 4.546 4.120 0.000 0.000 0.279 345 V C 0.907 177.012 176.094 0.018 0.000 1.314 345 V CA 0.105 62.315 62.300 -0.150 0.000 1.125 345 V CB -0.416 31.189 31.823 -0.364 0.000 0.907 345 V HN 0.012 nan 8.190 nan 0.000 0.434 346 A N 1.138 123.905 122.820 -0.088 0.000 2.548 346 A HA 0.464 4.784 4.320 0.000 0.000 0.247 346 A C 1.674 179.081 177.584 -0.295 0.000 1.067 346 A CA 0.885 52.840 52.037 -0.136 0.000 0.757 346 A CB -0.916 18.001 19.000 -0.138 0.000 0.996 346 A HN 2.053 nan 8.150 nan 0.000 0.504 347 G N 0.914 109.536 108.800 -0.296 0.000 2.159 347 G HA2 -0.261 3.699 3.960 0.000 0.000 0.256 347 G HA3 -0.261 3.699 3.960 0.000 0.000 0.256 347 G C 0.166 174.681 174.900 -0.642 0.000 0.977 347 G CA 0.797 45.611 45.100 -0.477 0.000 0.652 347 G HN 0.860 nan 8.290 nan 0.000 0.531 348 F N 0.345 120.258 119.950 -0.062 0.000 2.728 348 F HA 0.392 4.920 4.527 0.000 0.000 0.314 348 F C 1.572 177.369 175.800 -0.004 0.000 1.094 348 F CA -0.134 57.836 58.000 -0.049 0.000 1.217 348 F CB 0.122 39.072 39.000 -0.084 0.000 1.056 348 F HN 0.578 nan 8.300 nan 0.000 0.577 349 C N -2.252 117.132 119.300 0.140 0.000 3.291 349 C HA 0.518 4.978 4.460 0.000 0.000 0.316 349 C C 0.792 175.862 174.990 0.134 0.000 1.391 349 C CA -0.855 58.259 59.018 0.160 0.000 1.394 349 C CB 1.278 29.134 27.740 0.192 0.000 1.744 349 C HN 0.090 nan 8.230 nan 0.000 0.461 350 D N 0.443 120.950 120.400 0.178 0.000 2.234 350 D HA 0.117 4.757 4.640 0.000 0.000 0.205 350 D C 0.472 176.858 176.300 0.143 0.000 0.962 350 D CA 1.448 55.541 54.000 0.155 0.000 0.855 350 D CB 0.295 41.219 40.800 0.207 0.000 0.951 350 D HN 0.839 nan 8.370 nan 0.000 0.500 351 E N -0.480 119.836 120.200 0.193 0.000 2.390 351 E HA 0.376 4.727 4.350 0.000 0.000 0.280 351 E C -1.844 174.906 176.600 0.249 0.000 0.992 351 E CA -0.616 55.898 56.400 0.190 0.000 0.790 351 E CB 1.948 31.761 29.700 0.188 0.000 1.248 351 E HN -0.281 nan 8.360 nan 0.000 0.447 352 V N 3.251 123.284 119.914 0.198 0.000 2.495 352 V HA 0.465 4.585 4.120 0.000 0.000 0.298 352 V C -0.743 175.462 176.094 0.185 0.000 1.031 352 V CA -0.825 61.629 62.300 0.256 0.000 0.871 352 V CB 1.484 33.443 31.823 0.227 0.000 0.988 352 V HN 0.609 nan 8.190 nan 0.000 0.432 353 L N 6.480 127.831 121.223 0.215 0.000 2.325 353 L HA 0.643 4.983 4.340 0.000 0.000 0.281 353 L C -0.867 176.049 176.870 0.076 0.000 1.004 353 L CA 0.021 54.886 54.840 0.042 0.000 0.823 353 L CB 1.256 43.189 42.059 -0.209 0.000 1.236 353 L HN 0.434 nan 8.230 nan 0.000 0.415 354 I N 4.910 125.499 120.570 0.032 0.000 2.390 354 I HA 0.548 4.718 4.170 0.000 0.000 0.283 354 I C 0.038 176.179 176.117 0.040 0.000 1.016 354 I CA -0.113 61.200 61.300 0.021 0.000 1.151 354 I CB 0.822 38.832 38.000 0.017 0.000 1.293 354 I HN 0.708 nan 8.210 nan 0.000 0.458 355 T N 3.645 118.264 114.554 0.108 0.000 2.786 355 T HA 0.343 4.693 4.350 0.000 0.000 0.316 355 T C -1.035 173.797 174.700 0.220 0.000 1.503 355 T CA -0.455 61.708 62.100 0.105 0.000 1.019 355 T CB 1.741 70.612 68.868 0.005 0.000 1.415 355 T HN 0.663 nan 8.240 nan 0.000 0.496 356 D N 0.814 121.340 120.400 0.209 0.000 2.582 356 D HA 0.218 4.858 4.640 0.000 0.000 0.246 356 D C -0.406 176.135 176.300 0.402 0.000 1.334 356 D CA -0.240 53.966 54.000 0.342 0.000 0.805 356 D CB 0.324 41.310 40.800 0.311 0.000 1.087 356 D HN 0.374 nan 8.370 nan 0.000 0.499 357 D N 0.645 121.189 120.400 0.239 0.000 2.373 357 D HA 0.066 4.706 4.640 0.000 0.000 0.227 357 D C 1.347 177.726 176.300 0.132 0.000 1.091 357 D CA -0.416 53.675 54.000 0.150 0.000 0.840 357 D CB 0.792 41.593 40.800 0.002 0.000 1.060 357 D HN 0.348 nan 8.370 nan 0.000 0.502 358 H N 1.039 120.215 119.070 0.177 0.000 2.421 358 H HA -0.145 4.411 4.556 0.000 0.000 0.298 358 H C 1.606 176.879 175.328 -0.091 0.000 1.087 358 H CA 2.028 58.113 56.048 0.061 0.000 1.330 358 H CB -0.230 29.411 29.762 -0.201 0.000 1.388 358 H HN 0.349 nan 8.280 nan 0.000 0.526 359 T N -1.530 112.519 114.554 -0.842 0.000 2.915 359 T HA -0.080 4.270 4.350 0.000 0.000 0.269 359 T C 2.055 176.588 174.700 -0.277 0.000 1.071 359 T CA 0.986 62.762 62.100 -0.541 0.000 1.132 359 T CB -0.806 67.769 68.868 -0.488 0.000 0.878 359 T HN 0.244 nan 8.240 nan 0.000 0.479 360 V N 1.217 120.985 119.914 -0.243 0.000 2.453 360 V HA -0.083 4.037 4.120 0.000 0.000 0.247 360 V C 2.921 178.842 176.094 -0.288 0.000 1.048 360 V CA 1.223 63.391 62.300 -0.220 0.000 1.049 360 V CB -0.468 31.241 31.823 -0.190 0.000 0.672 360 V HN 0.417 nan 8.190 nan 0.000 0.457 361 V N 0.933 120.649 119.914 -0.330 0.000 2.358 361 V HA -0.151 3.969 4.120 0.000 0.000 0.246 361 V C 2.626 178.623 176.094 -0.161 0.000 1.047 361 V CA 2.116 64.172 62.300 -0.407 0.000 1.035 361 V CB -1.388 30.095 31.823 -0.568 0.000 0.658 361 V HN 0.595 nan 8.190 nan 0.000 0.452 362 G N -0.419 108.311 108.800 -0.118 0.000 2.418 362 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 362 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 362 G C 1.254 176.141 174.900 -0.023 0.000 1.158 362 G CA 0.956 46.032 45.100 -0.040 0.000 0.771 362 G HN 0.481 nan 8.290 nan 0.000 0.545 363 D N 0.774 121.133 120.400 -0.069 0.000 2.178 363 D HA 0.039 4.679 4.640 0.000 0.000 0.202 363 D C 2.717 179.005 176.300 -0.021 0.000 0.974 363 D CA 1.008 54.978 54.000 -0.049 0.000 0.841 363 D CB -0.216 40.537 40.800 -0.077 0.000 0.953 363 D HN 0.306 nan 8.370 nan 0.000 0.478 364 A N 0.071 122.854 122.820 -0.061 0.000 2.066 364 A HA -0.008 4.312 4.320 0.000 0.000 0.218 364 A C 2.219 180.030 177.584 0.377 0.000 1.157 364 A CA 0.390 52.413 52.037 -0.023 0.000 0.670 364 A CB -0.372 18.308 19.000 -0.533 0.000 0.804 364 A HN 0.171 nan 8.150 nan 0.000 0.453 365 I N -0.642 120.128 120.570 0.335 0.000 2.333 365 I HA -0.162 4.008 4.170 0.000 0.000 0.246 365 I C 2.863 179.058 176.117 0.130 0.000 1.106 365 I CA 0.912 62.379 61.300 0.278 0.000 1.411 365 I CB -0.145 37.958 38.000 0.172 0.000 1.082 365 I HN 0.322 nan 8.210 nan 0.000 0.420 366 A N 0.924 123.794 122.820 0.082 0.000 1.930 366 A HA -0.209 4.111 4.320 0.000 0.000 0.217 366 A C 2.424 180.034 177.584 0.044 0.000 1.175 366 A CA 1.547 53.608 52.037 0.041 0.000 0.627 366 A CB -0.565 18.447 19.000 0.021 0.000 0.815 366 A HN 0.401 nan 8.150 nan 0.000 0.443 367 R N -0.596 119.942 120.500 0.063 0.000 2.115 367 R HA -0.010 4.331 4.340 0.000 0.000 0.226 367 R C 1.360 177.703 176.300 0.072 0.000 1.100 367 R CA 1.695 57.830 56.100 0.058 0.000 0.980 367 R CB -0.225 30.107 30.300 0.054 0.000 0.875 367 R HN 0.254 nan 8.270 nan 0.000 0.445 368 V N 1.125 121.106 119.914 0.111 0.000 3.174 368 V HA -0.003 4.117 4.120 0.000 0.000 0.254 368 V C 0.163 176.265 176.094 0.013 0.000 1.120 368 V CA 0.591 62.941 62.300 0.083 0.000 1.114 368 V CB -0.400 31.514 31.823 0.151 0.000 0.756 368 V HN 0.435 nan 8.190 nan 0.000 0.467 369 E N 0.726 120.931 120.200 0.009 0.000 2.197 369 E HA -0.176 4.175 4.350 0.000 0.000 0.184 369 E C -2.158 174.409 176.600 -0.055 0.000 1.439 369 E CA -0.137 56.248 56.400 -0.025 0.000 0.688 369 E CB -0.650 29.038 29.700 -0.021 0.000 1.090 369 E HN 0.492 nan 8.360 nan 0.000 0.341 370 P HA 0.025 nan 4.420 nan 0.000 0.274 370 P C 0.263 177.507 177.300 -0.093 0.000 1.256 370 P CA 0.181 63.220 63.100 -0.101 0.000 0.795 370 P CB 0.933 32.535 31.700 -0.164 0.000 1.038 371 A N -0.001 122.790 122.820 -0.048 0.000 2.081 371 A HA 0.469 4.790 4.320 0.000 0.000 0.214 371 A C 0.996 178.417 177.584 -0.272 0.000 1.158 371 A CA 1.241 53.247 52.037 -0.053 0.000 0.724 371 A CB -0.466 18.634 19.000 0.166 0.000 0.826 371 A HN 0.763 nan 8.150 nan 0.000 0.463 372 A N -1.021 121.561 122.820 -0.397 0.000 2.606 372 A HA 0.697 5.017 4.320 0.000 0.000 0.293 372 A C -1.282 175.960 177.584 -0.570 0.000 1.082 372 A CA -0.448 51.168 52.037 -0.702 0.000 0.685 372 A CB 0.754 18.916 19.000 -1.397 0.000 1.284 372 A HN 0.208 nan 8.150 nan 0.000 0.408 373 I N 0.597 120.736 120.570 -0.718 0.000 2.465 373 I HA 0.514 4.684 4.170 0.000 0.000 0.291 373 I C -1.549 174.086 176.117 -0.803 0.000 1.014 373 I CA -0.284 60.707 61.300 -0.515 0.000 1.093 373 I CB 1.848 39.663 38.000 -0.308 0.000 1.267 373 I HN 0.524 nan 8.210 nan 0.000 0.431 374 F N 4.169 124.072 119.950 -0.077 0.000 2.445 374 F HA 0.775 5.302 4.527 0.000 0.000 0.348 374 F C 0.624 176.458 175.800 0.058 0.000 1.125 374 F CA -0.411 57.582 58.000 -0.011 0.000 0.983 374 F CB 1.818 40.817 39.000 -0.002 0.000 1.198 374 F HN 0.527 nan 8.300 nan 0.000 0.436 375 G N 0.792 109.700 108.800 0.179 0.000 2.664 375 G HA2 0.515 4.475 3.960 0.000 0.000 0.303 375 G HA3 0.515 4.475 3.960 0.000 0.000 0.303 375 G C -0.718 174.292 174.900 0.183 0.000 1.243 375 G CA -0.244 44.998 45.100 0.236 0.000 0.826 375 G HN 0.570 nan 8.290 nan 0.000 0.498 376 T N -2.288 112.429 114.554 0.271 0.000 2.867 376 T HA 0.361 4.712 4.350 0.000 0.000 0.286 376 T C 1.081 175.862 174.700 0.136 0.000 1.022 376 T CA 0.002 62.239 62.100 0.229 0.000 0.933 376 T CB 1.286 70.411 68.868 0.428 0.000 1.280 376 T HN 0.259 nan 8.240 nan 0.000 0.566 377 Q N -0.647 119.208 119.800 0.091 0.000 2.181 377 Q HA -0.094 4.246 4.340 0.000 0.000 0.205 377 Q C 1.948 177.961 176.000 0.022 0.000 0.980 377 Q CA 1.373 57.183 55.803 0.011 0.000 0.862 377 Q CB -0.634 27.972 28.738 -0.220 0.000 0.905 377 Q HN 0.738 nan 8.270 nan 0.000 0.429 378 M N 0.944 120.456 119.600 -0.147 0.000 2.175 378 M HA -0.122 4.358 4.480 0.000 0.000 0.264 378 M C 1.199 177.423 176.300 -0.126 0.000 1.063 378 M CA 1.615 56.653 55.300 -0.437 0.000 1.119 378 M CB -0.034 31.931 32.600 -1.058 0.000 1.377 378 M HN -0.049 nan 8.290 nan 0.000 0.415 379 E N -0.593 119.620 120.200 0.022 0.000 2.158 379 E HA -0.075 4.275 4.350 0.000 0.000 0.191 379 E C 2.103 178.688 176.600 -0.025 0.000 0.982 379 E CA 0.835 57.259 56.400 0.039 0.000 0.823 379 E CB -0.391 29.383 29.700 0.124 0.000 0.766 379 E HN 0.533 nan 8.360 nan 0.000 0.468 380 R N -0.141 120.335 120.500 -0.041 0.000 2.073 380 R HA -0.162 4.179 4.340 0.000 0.000 0.234 380 R C 1.606 177.783 176.300 -0.205 0.000 1.134 380 R CA 1.592 57.615 56.100 -0.128 0.000 0.952 380 R CB -0.251 29.973 30.300 -0.127 0.000 0.850 380 R HN 0.299 nan 8.270 nan 0.000 0.433 381 H N -0.789 118.238 119.070 -0.071 0.000 2.456 381 H HA -0.050 4.506 4.556 0.000 0.000 0.296 381 H C 1.891 177.180 175.328 -0.065 0.000 1.079 381 H CA 1.425 57.431 56.048 -0.069 0.000 1.322 381 H CB 0.250 29.958 29.762 -0.090 0.000 1.388 381 H HN 0.009 nan 8.280 nan 0.000 0.538 382 V N -0.352 119.565 119.914 0.005 0.000 2.453 382 V HA -0.133 3.987 4.120 0.000 0.000 0.247 382 V C 2.622 178.698 176.094 -0.031 0.000 1.048 382 V CA 1.693 63.991 62.300 -0.003 0.000 1.049 382 V CB -0.909 30.914 31.823 -0.001 0.000 0.672 382 V HN 0.634 nan 8.190 nan 0.000 0.457 383 G N 0.211 108.970 108.800 -0.068 0.000 2.446 383 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 383 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 383 G C 1.642 176.489 174.900 -0.089 0.000 1.168 383 G CA 1.085 46.126 45.100 -0.099 0.000 0.771 383 G HN 0.480 nan 8.290 nan 0.000 0.551 384 K N 0.167 120.508 120.400 -0.098 0.000 2.032 384 K HA -0.076 4.244 4.320 0.000 0.000 0.209 384 K C 2.736 179.317 176.600 -0.031 0.000 1.048 384 K CA 1.255 57.497 56.287 -0.074 0.000 0.927 384 K CB -0.210 32.233 32.500 -0.095 0.000 0.712 384 K HN 0.174 nan 8.250 nan 0.000 0.441 385 R N 0.670 121.164 120.500 -0.009 0.000 2.105 385 R HA -0.096 4.244 4.340 0.000 0.000 0.239 385 R C 1.923 178.218 176.300 -0.009 0.000 1.135 385 R CA 1.215 57.316 56.100 0.003 0.000 0.967 385 R CB -0.292 30.018 30.300 0.016 0.000 0.861 385 R HN 0.168 nan 8.270 nan 0.000 0.442 386 L N 0.370 121.581 121.223 -0.021 0.000 2.607 386 L HA 0.136 4.477 4.340 0.000 0.000 0.228 386 L C 0.193 177.043 176.870 -0.033 0.000 1.123 386 L CA -0.287 54.539 54.840 -0.023 0.000 0.890 386 L CB -0.075 41.969 42.059 -0.025 0.000 1.103 386 L HN 0.262 nan 8.230 nan 0.000 0.468 387 N N 1.562 120.238 118.700 -0.040 0.000 2.756 387 N HA -0.194 4.546 4.740 0.000 0.000 0.248 387 N C -0.787 174.685 175.510 -0.064 0.000 1.062 387 N CA 0.649 53.673 53.050 -0.044 0.000 0.696 387 N CB -1.029 37.444 38.487 -0.023 0.000 0.946 387 N HN 0.330 nan 8.380 nan 0.000 0.548 388 I N 0.579 121.093 120.570 -0.093 0.000 2.499 388 I HA 0.390 4.560 4.170 0.000 0.000 0.288 388 I C -2.103 173.904 176.117 -0.184 0.000 1.048 388 I CA -1.945 59.274 61.300 -0.135 0.000 1.062 388 I CB 2.152 40.071 38.000 -0.136 0.000 1.238 388 I HN -0.105 nan 8.210 nan 0.000 0.426 389 P HA 0.055 nan 4.420 nan 0.000 0.269 389 P C -0.908 176.170 177.300 -0.369 0.000 1.215 389 P CA -0.341 62.599 63.100 -0.268 0.000 0.780 389 P CB 0.775 32.300 31.700 -0.290 0.000 0.898 390 C N 2.592 121.693 119.300 -0.330 0.000 2.481 390 C HA 0.762 5.222 4.460 0.000 0.000 0.324 390 C C 0.276 175.081 174.990 -0.308 0.000 1.170 390 C CA -0.181 58.610 59.018 -0.378 0.000 1.361 390 C CB 0.447 28.044 27.740 -0.238 0.000 1.977 390 C HN 0.728 nan 8.230 nan 0.000 0.459 391 G N 4.455 113.008 108.800 -0.412 0.000 2.332 391 G HA2 0.549 4.510 3.960 0.000 0.000 0.310 391 G HA3 0.549 4.510 3.960 0.000 0.000 0.310 391 G C -0.688 174.256 174.900 0.074 0.000 1.123 391 G CA -0.169 44.892 45.100 -0.066 0.000 0.873 391 G HN 0.881 nan 8.290 nan 0.000 0.460 392 V N 3.805 123.799 119.914 0.134 0.000 2.432 392 V HA 0.187 4.307 4.120 0.000 0.000 0.271 392 V C 1.157 177.378 176.094 0.212 0.000 1.046 392 V CA -0.069 62.318 62.300 0.146 0.000 0.945 392 V CB 0.896 32.809 31.823 0.149 0.000 0.992 392 V HN 0.786 nan 8.190 nan 0.000 0.471 393 I N 1.970 122.550 120.570 0.018 0.000 4.240 393 I HA 0.801 4.971 4.170 0.000 0.000 0.331 393 I C 0.511 175.987 176.117 -1.070 0.000 1.381 393 I CA 0.004 61.209 61.300 -0.158 0.000 1.136 393 I CB 0.556 38.629 38.000 0.121 0.000 1.137 393 I HN 0.516 nan 8.210 nan 0.000 0.411 394 A N 1.124 123.363 122.820 -0.968 0.000 2.610 394 A HA 0.851 5.171 4.320 0.000 0.000 0.291 394 A C -0.331 177.003 177.584 -0.415 0.000 1.086 394 A CA -0.224 51.263 52.037 -0.917 0.000 0.677 394 A CB 0.666 19.518 19.000 -0.246 0.000 1.278 394 A HN 0.310 nan 8.150 nan 0.000 0.414 395 A N 0.646 123.361 122.820 -0.174 0.000 2.364 395 A HA 0.644 4.964 4.320 0.000 0.000 0.258 395 A C -2.093 175.567 177.584 0.127 0.000 1.131 395 A CA -0.269 51.804 52.037 0.060 0.000 0.800 395 A CB -1.362 17.714 19.000 0.126 0.000 1.086 395 A HN 0.960 nan 8.150 nan 0.000 0.508 396 P HA -0.156 nan 4.420 nan 0.000 0.168 396 P C -0.747 176.620 177.300 0.111 0.000 0.942 396 P CA 1.527 64.696 63.100 0.116 0.000 0.921 396 P CB -1.059 30.755 31.700 0.190 0.000 1.206 397 I N -0.596 120.050 120.570 0.128 0.000 2.892 397 I HA 0.615 4.785 4.170 0.000 0.000 0.306 397 I C 0.262 176.505 176.117 0.209 0.000 1.078 397 I CA -1.274 60.084 61.300 0.096 0.000 1.032 397 I CB 2.443 40.555 38.000 0.186 0.000 1.229 397 I HN 0.177 nan 8.210 nan 0.000 0.435 398 H N 1.177 120.399 119.070 0.253 0.000 2.649 398 H HA 0.378 4.934 4.556 0.000 0.000 0.337 398 H C 0.658 176.148 175.328 0.269 0.000 1.282 398 H CA -0.893 55.294 56.048 0.232 0.000 1.333 398 H CB 2.315 32.188 29.762 0.185 0.000 1.787 398 H HN 0.661 nan 8.280 nan 0.000 0.632 399 I N 1.248 122.028 120.570 0.349 0.000 2.208 399 I HA -0.294 3.876 4.170 0.000 0.000 0.245 399 I C 2.197 178.452 176.117 0.229 0.000 1.097 399 I CA 1.446 62.896 61.300 0.251 0.000 1.363 399 I CB -0.334 37.731 38.000 0.109 0.000 1.051 399 I HN 0.607 nan 8.210 nan 0.000 0.413 400 Q N -0.439 119.479 119.800 0.198 0.000 2.439 400 Q HA -0.185 4.156 4.340 0.000 0.000 0.211 400 Q C 0.737 176.800 176.000 0.106 0.000 0.978 400 Q CA 1.399 57.286 55.803 0.139 0.000 0.897 400 Q CB -0.886 27.929 28.738 0.130 0.000 0.956 400 Q HN 0.566 nan 8.270 nan 0.000 0.483 401 D N -0.241 120.228 120.400 0.115 0.000 2.328 401 D HA 0.086 4.726 4.640 0.000 0.000 0.221 401 D C -0.497 175.518 176.300 -0.476 0.000 1.072 401 D CA 0.066 54.025 54.000 -0.068 0.000 0.850 401 D CB 0.016 40.828 40.800 0.020 0.000 0.922 401 D HN 0.193 nan 8.370 nan 0.000 0.516 402 F N 2.003 121.856 119.950 -0.161 0.000 2.550 402 F HA 0.263 4.790 4.527 0.000 0.000 0.312 402 F C -1.910 173.774 175.800 -0.194 0.000 1.256 402 F CA -2.031 55.813 58.000 -0.261 0.000 1.182 402 F CB 0.556 39.451 39.000 -0.175 0.000 1.383 402 F HN -0.231 nan 8.300 nan 0.000 0.541 403 P HA -0.001 nan 4.420 nan 0.000 0.269 403 P C 0.941 178.321 177.300 0.133 0.000 1.215 403 P CA 0.049 63.164 63.100 0.026 0.000 0.780 403 P CB 1.253 32.964 31.700 0.018 0.000 0.898 404 V N -0.958 119.029 119.914 0.122 0.000 3.354 404 V HA 0.231 4.352 4.120 0.000 0.000 0.258 404 V C 1.097 177.276 176.094 0.141 0.000 1.159 404 V CA 0.775 63.168 62.300 0.155 0.000 1.125 404 V CB -1.311 30.565 31.823 0.089 0.000 0.774 404 V HN 0.596 nan 8.190 nan 0.000 0.464 405 G N -0.489 108.364 108.800 0.088 0.000 2.491 405 G HA2 0.161 4.121 3.960 0.000 0.000 0.238 405 G HA3 0.161 4.121 3.960 0.000 0.000 0.238 405 G C -0.657 174.199 174.900 -0.074 0.000 1.277 405 G CA -0.157 44.967 45.100 0.039 0.000 0.851 405 G HN 0.407 nan 8.290 nan 0.000 0.573 406 Y N 2.373 122.501 120.300 -0.287 0.000 2.637 406 Y HA 0.263 4.813 4.550 0.000 0.000 0.350 406 Y C 0.842 176.547 175.900 -0.325 0.000 1.069 406 Y CA -0.336 57.438 58.100 -0.544 0.000 1.397 406 Y CB 0.234 38.533 38.460 -0.268 0.000 1.163 406 Y HN 0.301 nan 8.280 nan 0.000 0.527 407 R N 7.877 127.993 120.500 -0.639 0.000 2.681 407 R HA 0.232 4.573 4.340 0.000 0.000 0.277 407 R C -2.937 173.410 176.300 0.079 0.000 1.563 407 R CA -1.593 54.441 56.100 -0.109 0.000 1.673 407 R CB 0.722 31.138 30.300 0.194 0.000 1.258 407 R HN 0.478 nan 8.270 nan 0.000 0.650 408 P HA 0.076 nan 4.420 nan 0.000 0.272 408 P C 0.091 177.582 177.300 0.318 0.000 1.230 408 P CA -0.226 62.894 63.100 0.034 0.000 0.788 408 P CB 0.675 32.281 31.700 -0.157 0.000 0.949 409 F N -0.004 119.965 119.950 0.031 0.000 2.717 409 F HA 0.211 4.738 4.527 0.000 0.000 0.295 409 F C 0.961 176.783 175.800 0.036 0.000 1.117 409 F CA 0.265 58.288 58.000 0.039 0.000 1.361 409 F CB -0.300 38.778 39.000 0.129 0.000 1.112 409 F HN 0.072 nan 8.300 nan 0.000 0.594 410 L N -1.036 120.313 121.223 0.210 0.000 2.375 410 L HA 0.667 5.007 4.340 0.000 0.000 0.268 410 L C 0.777 177.652 176.870 0.009 0.000 1.058 410 L CA -0.002 54.885 54.840 0.078 0.000 0.803 410 L CB 0.733 42.827 42.059 0.059 0.000 1.212 410 L HN 0.267 nan 8.230 nan 0.000 0.451 411 G N 0.437 109.187 108.800 -0.084 0.000 2.725 411 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 411 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 411 G C 0.244 175.031 174.900 -0.188 0.000 1.357 411 G CA 0.288 45.301 45.100 -0.145 0.000 0.866 411 G HN 0.500 nan 8.290 nan 0.000 0.548 412 Y N 0.279 120.610 120.300 0.051 0.000 2.263 412 Y HA 0.081 4.632 4.550 0.000 0.000 0.292 412 Y C 2.850 178.764 175.900 0.023 0.000 1.130 412 Y CA 1.994 60.108 58.100 0.023 0.000 1.179 412 Y CB -0.218 38.244 38.460 0.003 0.000 0.998 412 Y HN 0.715 nan 8.280 nan 0.000 0.532 413 E N 0.015 120.328 120.200 0.188 0.000 2.106 413 E HA -0.098 4.252 4.350 0.000 0.000 0.192 413 E C 2.493 179.119 176.600 0.043 0.000 0.984 413 E CA 1.381 57.859 56.400 0.130 0.000 0.806 413 E CB -0.777 29.040 29.700 0.194 0.000 0.750 413 E HN 0.355 nan 8.360 nan 0.000 0.458 414 G N -0.184 108.627 108.800 0.018 0.000 2.469 414 G HA2 -0.358 3.602 3.960 0.000 0.000 0.220 414 G HA3 -0.358 3.602 3.960 0.000 0.000 0.220 414 G C 1.741 176.590 174.900 -0.085 0.000 1.136 414 G CA 1.965 47.052 45.100 -0.023 0.000 0.759 414 G HN 0.512 nan 8.290 nan 0.000 0.562 415 T N -0.488 114.034 114.554 -0.054 0.000 2.788 415 T HA -0.157 4.193 4.350 0.000 0.000 0.268 415 T C 2.169 176.824 174.700 -0.076 0.000 1.044 415 T CA 1.562 63.622 62.100 -0.066 0.000 1.139 415 T CB -0.353 68.516 68.868 0.002 0.000 0.867 415 T HN 0.198 nan 8.240 nan 0.000 0.454 416 N N 1.516 120.197 118.700 -0.031 0.000 2.120 416 N HA -0.076 4.664 4.740 0.000 0.000 0.188 416 N C 2.190 177.648 175.510 -0.086 0.000 1.024 416 N CA 1.325 54.351 53.050 -0.041 0.000 0.852 416 N CB -0.393 38.100 38.487 0.011 0.000 1.003 416 N HN 0.536 nan 8.380 nan 0.000 0.424 417 Q N 0.552 120.299 119.800 -0.088 0.000 2.124 417 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 417 Q C 2.311 178.191 176.000 -0.199 0.000 0.977 417 Q CA 0.753 56.491 55.803 -0.107 0.000 0.850 417 Q CB -0.319 28.373 28.738 -0.077 0.000 0.901 417 Q HN 0.451 nan 8.270 nan 0.000 0.429 418 L N -0.298 120.753 121.223 -0.286 0.000 2.072 418 L HA -0.116 4.224 4.340 0.000 0.000 0.205 418 L C 2.473 179.190 176.870 -0.254 0.000 1.079 418 L CA 0.388 55.022 54.840 -0.343 0.000 0.752 418 L CB -0.547 41.285 42.059 -0.379 0.000 0.906 418 L HN -0.019 nan 8.230 nan 0.000 0.436 419 V N 0.324 120.072 119.914 -0.277 0.000 2.250 419 V HA -0.380 3.740 4.120 0.000 0.000 0.250 419 V C 2.206 178.109 176.094 -0.317 0.000 1.060 419 V CA 2.250 64.291 62.300 -0.432 0.000 1.030 419 V CB -0.553 30.959 31.823 -0.518 0.000 0.643 419 V HN 0.489 nan 8.190 nan 0.000 0.445 420 D N -0.370 119.922 120.400 -0.180 0.000 2.084 420 D HA -0.151 4.489 4.640 0.000 0.000 0.194 420 D C 2.032 178.343 176.300 0.019 0.000 0.990 420 D CA 1.325 55.296 54.000 -0.048 0.000 0.826 420 D CB -0.447 40.346 40.800 -0.011 0.000 0.971 420 D HN 0.356 nan 8.370 nan 0.000 0.453 421 L N 1.074 122.295 121.223 -0.003 0.000 2.043 421 L HA -0.166 4.174 4.340 0.000 0.000 0.212 421 L C 2.158 179.130 176.870 0.171 0.000 1.075 421 L CA 1.452 56.335 54.840 0.071 0.000 0.752 421 L CB -0.509 41.577 42.059 0.045 0.000 0.891 421 L HN -0.006 nan 8.230 nan 0.000 0.432 422 I N -2.149 118.507 120.570 0.143 0.000 2.193 422 I HA -0.287 3.883 4.170 0.000 0.000 0.240 422 I C 2.357 178.719 176.117 0.409 0.000 1.084 422 I CA 1.435 62.926 61.300 0.318 0.000 1.365 422 I CB -0.585 37.472 38.000 0.096 0.000 1.064 422 I HN 0.280 nan 8.210 nan 0.000 0.410 423 Y N 2.417 122.769 120.300 0.086 0.000 2.165 423 Y HA -0.282 4.269 4.550 0.000 0.000 0.286 423 Y C 2.362 178.364 175.900 0.170 0.000 1.155 423 Y CA 1.682 59.868 58.100 0.143 0.000 1.164 423 Y CB -0.387 38.051 38.460 -0.037 0.000 0.978 423 Y HN 0.200 nan 8.280 nan 0.000 0.513 424 N N -0.389 118.374 118.700 0.106 0.000 2.166 424 N HA -0.153 4.588 4.740 0.000 0.000 0.186 424 N C 1.952 177.435 175.510 -0.046 0.000 1.019 424 N CA 1.603 54.652 53.050 -0.001 0.000 0.856 424 N CB -0.539 37.978 38.487 0.049 0.000 0.993 424 N HN 0.321 nan 8.380 nan 0.000 0.426 425 S N 0.389 116.077 115.700 -0.020 0.000 2.383 425 S HA 0.021 4.491 4.470 0.000 0.000 0.227 425 S C 1.740 176.193 174.600 -0.246 0.000 1.026 425 S CA 0.626 58.714 58.200 -0.186 0.000 0.981 425 S CB -0.323 62.661 63.200 -0.361 0.000 0.818 425 S HN 0.221 nan 8.310 nan 0.000 0.472 426 F N 2.341 122.256 119.950 -0.058 0.000 2.146 426 F HA -0.113 4.414 4.527 0.000 0.000 0.298 426 F C 3.043 178.756 175.800 -0.145 0.000 1.096 426 F CA 1.485 59.441 58.000 -0.073 0.000 1.275 426 F CB -1.178 37.819 39.000 -0.004 0.000 1.008 426 F HN 0.282 nan 8.300 nan 0.000 0.480 427 T N -1.475 113.024 114.554 -0.092 0.000 2.857 427 T HA -0.162 4.188 4.350 0.000 0.000 0.266 427 T C 1.975 176.616 174.700 -0.098 0.000 1.048 427 T CA 1.037 63.028 62.100 -0.181 0.000 1.139 427 T CB -0.860 67.733 68.868 -0.459 0.000 0.874 427 T HN 0.187 nan 8.240 nan 0.000 0.455 428 L N 2.290 123.455 121.223 -0.095 0.000 2.042 428 L HA 0.166 4.506 4.340 0.000 0.000 0.210 428 L C 2.628 179.463 176.870 -0.058 0.000 1.076 428 L CA 2.233 57.032 54.840 -0.068 0.000 0.749 428 L CB -1.171 40.843 42.059 -0.075 0.000 0.893 428 L HN 0.379 nan 8.230 nan 0.000 0.432 429 G N -1.083 107.671 108.800 -0.076 0.000 2.421 429 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 429 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 429 G C 1.466 176.358 174.900 -0.013 0.000 1.143 429 G CA 0.887 45.952 45.100 -0.060 0.000 0.784 429 G HN 0.446 nan 8.290 nan 0.000 0.541 430 M N 0.137 119.736 119.600 -0.002 0.000 2.156 430 M HA 0.049 4.529 4.480 0.000 0.000 0.264 430 M C 2.389 178.709 176.300 0.033 0.000 1.067 430 M CA 1.203 56.517 55.300 0.023 0.000 1.131 430 M CB -0.249 32.365 32.600 0.023 0.000 1.368 430 M HN 0.185 nan 8.290 nan 0.000 0.416 431 E N 0.537 120.745 120.200 0.014 0.000 2.106 431 E HA -0.180 4.170 4.350 0.000 0.000 0.192 431 E C 1.523 178.132 176.600 0.015 0.000 0.984 431 E CA 1.006 57.419 56.400 0.022 0.000 0.806 431 E CB -0.078 29.634 29.700 0.019 0.000 0.750 431 E HN 0.439 nan 8.360 nan 0.000 0.458 432 D N -0.125 120.280 120.400 0.009 0.000 2.097 432 D HA -0.177 4.463 4.640 0.000 0.000 0.195 432 D C 1.799 178.098 176.300 -0.001 0.000 0.989 432 D CA 1.010 55.012 54.000 0.003 0.000 0.827 432 D CB -0.421 40.377 40.800 -0.002 0.000 0.966 432 D HN 0.268 nan 8.370 nan 0.000 0.456 433 H N 0.460 119.482 119.070 -0.080 0.000 2.387 433 H HA -0.029 4.527 4.556 0.000 0.000 0.299 433 H C 2.214 177.434 175.328 -0.181 0.000 1.090 433 H CA 0.806 56.791 56.048 -0.106 0.000 1.332 433 H CB -0.008 29.699 29.762 -0.091 0.000 1.386 433 H HN 0.120 nan 8.280 nan 0.000 0.516 434 L N 0.238 121.358 121.223 -0.172 0.000 2.072 434 L HA -0.173 4.167 4.340 0.000 0.000 0.205 434 L C 2.905 179.500 176.870 -0.459 0.000 1.079 434 L CA 0.459 55.036 54.840 -0.439 0.000 0.752 434 L CB -0.445 41.477 42.059 -0.229 0.000 0.906 434 L HN 0.265 nan 8.230 nan 0.000 0.436 435 L N -0.160 120.988 121.223 -0.125 0.000 1.997 435 L HA -0.290 4.051 4.340 0.000 0.000 0.216 435 L C 2.636 179.472 176.870 -0.057 0.000 1.074 435 L CA 1.580 56.420 54.840 0.000 0.000 0.763 435 L CB -0.346 41.725 42.059 0.019 0.000 0.890 435 L HN 0.293 nan 8.230 nan 0.000 0.434 436 E N 0.153 120.267 120.200 -0.142 0.000 2.072 436 E HA -0.164 4.186 4.350 0.000 0.000 0.191 436 E C 2.104 178.592 176.600 -0.187 0.000 0.985 436 E CA 0.896 57.213 56.400 -0.139 0.000 0.801 436 E CB -0.127 29.480 29.700 -0.155 0.000 0.750 436 E HN 0.367 nan 8.360 nan 0.000 0.452 437 I N -0.103 120.248 120.570 -0.364 0.000 2.335 437 I HA -0.271 3.899 4.170 0.000 0.000 0.251 437 I C 1.218 177.222 176.117 -0.190 0.000 1.129 437 I CA 0.930 61.992 61.300 -0.396 0.000 1.402 437 I CB -0.101 37.513 38.000 -0.644 0.000 1.069 437 I HN 0.138 nan 8.210 nan 0.000 0.424 438 F N -0.616 119.296 119.950 -0.063 0.000 2.505 438 F HA 0.209 4.736 4.527 0.000 0.000 0.289 438 F C 1.834 177.616 175.800 -0.029 0.000 1.101 438 F CA 0.741 58.719 58.000 -0.036 0.000 1.446 438 F CB -0.364 38.621 39.000 -0.024 0.000 1.123 438 F HN 0.053 nan 8.300 nan 0.000 0.564 439 G N -1.573 107.317 108.800 0.150 0.000 4.328 439 G HA2 0.420 4.380 3.960 0.000 0.000 0.133 439 G HA3 0.420 4.380 3.960 0.000 0.000 0.133 439 G C 0.282 175.207 174.900 0.041 0.000 1.397 439 G CA 0.318 45.466 45.100 0.080 0.000 1.001 439 G HN 0.623 nan 8.290 nan 0.000 0.325 440 G N 0.000 108.827 108.800 0.045 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 440 G CA 0.000 45.113 45.100 0.022 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925