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 3eib_1_B DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SNYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYKHH H 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.643 176.600 0.071 0.000 1.382 19 E CA 0.000 56.433 56.400 0.055 0.000 0.976 19 E CB 0.000 29.724 29.700 0.039 0.000 0.812 20 Y N 2.374 122.673 120.300 -0.001 0.000 2.425 20 Y HA 0.328 4.878 4.550 0.000 0.000 0.331 20 Y C -0.568 175.332 175.900 -0.001 0.000 1.157 20 Y CA 0.635 58.735 58.100 -0.001 0.000 1.372 20 Y CB 0.836 39.296 38.460 -0.000 0.000 1.253 20 Y HN 0.426 nan 8.280 nan 0.000 0.536 21 K N 3.796 123.771 120.400 -0.708 0.000 2.375 21 K HA 0.326 4.646 4.320 -0.000 0.000 0.249 21 K C -0.257 175.898 176.600 -0.742 0.000 0.942 21 K CA -0.920 55.083 56.287 -0.473 0.000 0.806 21 K CB 1.715 34.058 32.500 -0.262 0.000 1.227 21 K HN 0.761 nan 8.250 nan 0.000 0.430 22 T N -1.196 113.203 114.554 -0.258 0.000 2.698 22 T HA 0.132 4.482 4.350 -0.000 0.000 0.295 22 T C 0.630 175.256 174.700 -0.122 0.000 1.007 22 T CA -0.210 61.828 62.100 -0.103 0.000 0.980 22 T CB 0.473 69.373 68.868 0.053 0.000 1.036 22 T HN 0.527 nan 8.240 nan 0.000 0.526 23 K N -0.035 120.336 120.400 -0.048 0.000 2.440 23 K HA 0.339 4.659 4.320 -0.000 0.000 0.206 23 K C -0.507 176.083 176.600 -0.017 0.000 1.025 23 K CA -0.256 56.007 56.287 -0.039 0.000 1.135 23 K CB 0.548 33.035 32.500 -0.022 0.000 0.856 23 K HN 0.329 nan 8.250 nan 0.000 0.502 24 V N 1.954 121.862 119.914 -0.009 0.000 2.461 24 V HA 0.061 4.181 4.120 -0.000 0.000 0.275 24 V C 0.290 176.379 176.094 -0.008 0.000 1.047 24 V CA -0.365 61.934 62.300 -0.001 0.000 0.955 24 V CB 1.356 33.184 31.823 0.009 0.000 0.988 24 V HN 0.169 nan 8.190 nan 0.000 0.471 25 S N 5.438 121.135 115.700 -0.006 0.000 2.510 25 S HA 0.214 4.684 4.470 -0.000 0.000 0.279 25 S C 0.481 175.079 174.600 -0.004 0.000 1.284 25 S CA -0.310 57.886 58.200 -0.007 0.000 1.059 25 S CB 0.093 63.291 63.200 -0.005 0.000 0.901 25 S HN 0.714 nan 8.310 nan 0.000 0.491 26 R N 2.763 123.260 120.500 -0.005 0.000 2.638 26 R HA -0.074 4.266 4.340 -0.000 0.000 0.268 26 R C 0.296 176.596 176.300 -0.001 0.000 1.006 26 R CA -0.157 55.941 56.100 -0.003 0.000 1.088 26 R CB 0.219 30.517 30.300 -0.004 0.000 0.950 26 R HN 0.556 nan 8.270 nan 0.000 0.419 27 N N 1.849 120.549 118.700 -0.000 0.000 2.414 27 N HA -0.096 4.644 4.740 -0.000 0.000 0.268 27 N C 0.608 176.119 175.510 0.003 0.000 1.286 27 N CA 0.721 53.771 53.050 0.000 0.000 0.896 27 N CB 0.864 39.350 38.487 -0.002 0.000 1.093 27 N HN 0.630 nan 8.380 nan 0.000 0.480 28 S N 3.104 118.808 115.700 0.006 0.000 2.474 28 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 28 S C 1.217 175.826 174.600 0.016 0.000 0.997 28 S CA 0.386 58.593 58.200 0.012 0.000 0.949 28 S CB -0.050 63.158 63.200 0.015 0.000 0.766 28 S HN 0.566 nan 8.310 nan 0.000 0.517 29 N N 1.603 120.308 118.700 0.008 0.000 2.270 29 N HA 0.070 4.810 4.740 -0.000 0.000 0.181 29 N C 1.523 177.029 175.510 -0.006 0.000 1.016 29 N CA 1.123 54.174 53.050 0.001 0.000 0.870 29 N CB -0.392 38.090 38.487 -0.009 0.000 0.979 29 N HN 0.363 nan 8.380 nan 0.000 0.431 30 M N 0.753 120.349 119.600 -0.006 0.000 2.175 30 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 30 M C 1.943 178.245 176.300 0.003 0.000 1.063 30 M CA 0.930 56.225 55.300 -0.009 0.000 1.119 30 M CB -1.261 31.333 32.600 -0.011 0.000 1.377 30 M HN -0.031 nan 8.290 nan 0.000 0.415 31 S N 0.540 116.248 115.700 0.012 0.000 2.419 31 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 31 S C 1.838 176.467 174.600 0.048 0.000 1.016 31 S CA 0.992 59.205 58.200 0.022 0.000 0.974 31 S CB -0.230 62.983 63.200 0.021 0.000 0.786 31 S HN 0.488 nan 8.310 nan 0.000 0.492 32 K N 0.824 121.264 120.400 0.067 0.000 2.147 32 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 32 K C 0.271 176.998 176.600 0.212 0.000 1.049 32 K CA 0.484 56.857 56.287 0.142 0.000 0.936 32 K CB -0.400 32.179 32.500 0.130 0.000 0.722 32 K HN 0.333 nan 8.250 nan 0.000 0.446 33 L N 2.127 123.415 121.223 0.108 0.000 2.559 33 L HA -0.084 4.256 4.340 -0.000 0.000 0.274 33 L C 1.586 178.486 176.870 0.051 0.000 1.205 33 L CA -0.235 54.667 54.840 0.104 0.000 0.907 33 L CB 0.410 42.474 42.059 0.008 0.000 1.153 33 L HN 0.113 nan 8.230 nan 0.000 0.490 34 Q N 3.262 123.051 119.800 -0.018 0.000 2.245 34 Q HA 0.126 4.466 4.340 -0.000 0.000 0.201 34 Q C 0.220 176.083 176.000 -0.229 0.000 0.955 34 Q CA 1.239 56.875 55.803 -0.277 0.000 0.870 34 Q CB 0.451 28.605 28.738 -0.974 0.000 0.945 34 Q HN 0.793 nan 8.270 nan 0.000 0.461 35 A N -1.995 120.720 122.820 -0.175 0.000 2.506 35 A HA 0.702 5.021 4.320 -0.000 0.000 0.305 35 A C -0.084 177.440 177.584 -0.100 0.000 1.166 35 A CA -0.552 51.392 52.037 -0.154 0.000 0.638 35 A CB -0.098 18.776 19.000 -0.211 0.000 1.336 35 A HN 0.234 nan 8.150 nan 0.000 0.493 36 G N -1.373 107.370 108.800 -0.094 0.000 2.634 36 G HA2 0.435 4.395 3.960 -0.000 0.000 0.255 36 G HA3 0.435 4.395 3.960 -0.000 0.000 0.255 36 G C -0.246 174.637 174.900 -0.029 0.000 1.205 36 G CA -0.052 45.022 45.100 -0.043 0.000 0.884 36 G HN 0.940 nan 8.290 nan 0.000 0.549 37 Y N 0.389 120.618 120.300 -0.118 0.000 2.597 37 Y HA 0.088 4.638 4.550 -0.000 0.000 0.336 37 Y C 1.500 177.278 175.900 -0.203 0.000 1.216 37 Y CA -0.378 57.630 58.100 -0.154 0.000 1.463 37 Y CB 1.066 39.464 38.460 -0.104 0.000 1.303 37 Y HN 0.367 nan 8.280 nan 0.000 0.576 38 L N 4.954 125.570 121.223 -1.010 0.000 1.971 38 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 38 L C 1.737 178.135 176.870 -0.787 0.000 1.072 38 L CA 1.982 56.243 54.840 -0.964 0.000 0.758 38 L CB -1.015 40.181 42.059 -1.439 0.000 0.889 38 L HN 0.739 nan 8.230 nan 0.000 0.433 39 F N -0.181 119.461 119.950 -0.513 0.000 2.102 39 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 39 F C -0.103 175.670 175.800 -0.045 0.000 1.105 39 F CA 1.447 59.330 58.000 -0.195 0.000 1.239 39 F CB -2.554 36.387 39.000 -0.097 0.000 0.991 39 F HN 0.188 nan 8.300 nan 0.000 0.474 40 P HA -0.204 nan 4.420 nan 0.000 0.216 40 P C 1.419 178.750 177.300 0.052 0.000 1.150 40 P CA 1.682 64.850 63.100 0.115 0.000 0.843 40 P CB -0.005 31.769 31.700 0.124 0.000 0.787 41 E N -0.247 119.945 120.200 -0.013 0.000 2.106 41 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 41 E C 1.880 178.492 176.600 0.021 0.000 0.984 41 E CA 1.128 57.508 56.400 -0.033 0.000 0.806 41 E CB -0.964 28.679 29.700 -0.095 0.000 0.750 41 E HN 0.023 nan 8.360 nan 0.000 0.458 42 I N 1.029 121.617 120.570 0.029 0.000 2.179 42 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 42 I C 2.396 178.622 176.117 0.182 0.000 1.088 42 I CA 1.397 62.750 61.300 0.088 0.000 1.357 42 I CB -1.725 36.317 38.000 0.069 0.000 1.051 42 I HN 0.227 nan 8.210 nan 0.000 0.409 43 A N 0.774 123.685 122.820 0.153 0.000 1.917 43 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 43 A C 2.537 180.199 177.584 0.129 0.000 1.182 43 A CA 2.074 54.199 52.037 0.147 0.000 0.633 43 A CB -0.777 18.300 19.000 0.129 0.000 0.819 43 A HN 0.372 nan 8.150 nan 0.000 0.448 44 R N -0.650 119.910 120.500 0.101 0.000 2.091 44 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 44 R C 2.394 178.759 176.300 0.110 0.000 1.136 44 R CA 1.851 57.998 56.100 0.078 0.000 0.959 44 R CB -0.209 30.112 30.300 0.035 0.000 0.856 44 R HN 0.532 nan 8.270 nan 0.000 0.437 45 R N -0.522 120.074 120.500 0.159 0.000 2.090 45 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 45 R C 2.457 178.912 176.300 0.259 0.000 1.110 45 R CA 1.383 57.625 56.100 0.237 0.000 0.973 45 R CB -0.235 30.302 30.300 0.394 0.000 0.869 45 R HN 0.192 nan 8.270 nan 0.000 0.440 46 R N 0.349 121.000 120.500 0.253 0.000 2.073 46 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 46 R C 1.927 178.345 176.300 0.197 0.000 1.134 46 R CA 1.974 58.202 56.100 0.212 0.000 0.952 46 R CB -0.115 30.297 30.300 0.187 0.000 0.850 46 R HN 0.090 nan 8.270 nan 0.000 0.433 47 S N 0.552 116.342 115.700 0.151 0.000 2.368 47 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 47 S C 2.007 176.667 174.600 0.101 0.000 1.030 47 S CA 1.218 59.486 58.200 0.113 0.000 0.999 47 S CB -0.265 62.986 63.200 0.084 0.000 0.844 47 S HN 0.579 nan 8.310 nan 0.000 0.459 48 A N 1.103 123.985 122.820 0.104 0.000 1.902 48 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 48 A C 1.874 179.497 177.584 0.065 0.000 1.181 48 A CA 2.168 54.245 52.037 0.067 0.000 0.623 48 A CB -1.043 17.998 19.000 0.068 0.000 0.818 48 A HN 0.666 nan 8.150 nan 0.000 0.443 49 H N -0.426 118.670 119.070 0.043 0.000 2.353 49 H HA 0.012 4.567 4.556 -0.000 0.000 0.300 49 H C 1.699 177.059 175.328 0.054 0.000 1.090 49 H CA 1.870 57.948 56.048 0.051 0.000 1.327 49 H CB -0.199 29.640 29.762 0.127 0.000 1.383 49 H HN 0.369 nan 8.280 nan 0.000 0.508 50 L N -0.153 121.154 121.223 0.141 0.000 2.291 50 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 50 L C 2.131 179.001 176.870 0.001 0.000 1.120 50 L CA 0.444 55.334 54.840 0.083 0.000 0.799 50 L CB -0.113 42.018 42.059 0.120 0.000 0.925 50 L HN 0.369 nan 8.230 nan 0.000 0.446 51 L N -0.509 120.700 121.223 -0.023 0.000 2.109 51 L HA -0.183 4.156 4.340 -0.000 0.000 0.207 51 L C 2.608 179.401 176.870 -0.128 0.000 1.086 51 L CA 1.066 55.874 54.840 -0.052 0.000 0.760 51 L CB -0.385 41.652 42.059 -0.036 0.000 0.910 51 L HN 0.227 nan 8.230 nan 0.000 0.437 52 K N -0.016 120.234 120.400 -0.249 0.000 2.057 52 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 52 K C -0.313 175.943 176.600 -0.575 0.000 1.050 52 K CA 1.168 57.156 56.287 -0.498 0.000 0.935 52 K CB 0.243 32.297 32.500 -0.744 0.000 0.715 52 K HN 0.127 nan 8.250 nan 0.000 0.439 53 Y N -0.237 119.955 120.300 -0.180 0.000 2.705 53 Y HA 0.290 4.840 4.550 -0.000 0.000 0.355 53 Y C -2.213 173.619 175.900 -0.113 0.000 1.039 53 Y CA -2.849 55.156 58.100 -0.158 0.000 1.233 53 Y CB 1.478 39.805 38.460 -0.222 0.000 1.103 53 Y HN 0.088 nan 8.280 nan 0.000 0.624 54 P HA -0.100 nan 4.420 nan 0.000 0.222 54 P C 0.523 177.838 177.300 0.025 0.000 1.147 54 P CA 1.538 64.656 63.100 0.030 0.000 0.790 54 P CB 0.502 32.213 31.700 0.018 0.000 0.780 55 D N -1.148 119.261 120.400 0.014 0.000 2.368 55 D HA 0.164 4.804 4.640 -0.000 0.000 0.218 55 D C 0.571 176.830 176.300 -0.069 0.000 1.112 55 D CA -0.035 53.954 54.000 -0.018 0.000 0.834 55 D CB 0.028 40.817 40.800 -0.020 0.000 0.953 55 D HN 0.058 nan 8.370 nan 0.000 0.505 56 A N 1.170 123.940 122.820 -0.083 0.000 2.520 56 A HA 0.030 4.350 4.320 -0.000 0.000 0.245 56 A C 0.699 178.204 177.584 -0.131 0.000 1.072 56 A CA 0.031 51.925 52.037 -0.239 0.000 0.761 56 A CB 0.320 19.234 19.000 -0.142 0.000 1.004 56 A HN -0.070 nan 8.150 nan 0.000 0.499 57 Q N 2.452 122.146 119.800 -0.177 0.000 2.678 57 Q HA 0.210 4.550 4.340 -0.000 0.000 0.222 57 Q C -0.374 175.624 176.000 -0.003 0.000 1.281 57 Q CA -0.025 55.742 55.803 -0.059 0.000 0.994 57 Q CB 0.221 28.929 28.738 -0.050 0.000 1.452 57 Q HN 0.479 nan 8.270 nan 0.000 0.570 58 V N 3.674 123.616 119.914 0.047 0.000 2.555 58 V HA 0.220 4.340 4.120 -0.000 0.000 0.286 58 V C 0.621 176.750 176.094 0.059 0.000 1.044 58 V CA -0.082 62.270 62.300 0.087 0.000 1.026 58 V CB 0.712 32.607 31.823 0.120 0.000 0.981 58 V HN 0.493 nan 8.190 nan 0.000 0.480 59 I N 3.730 124.327 120.570 0.045 0.000 2.362 59 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 59 I C 0.121 176.270 176.117 0.054 0.000 0.994 59 I CA -0.017 61.306 61.300 0.038 0.000 1.158 59 I CB 1.734 39.738 38.000 0.006 0.000 1.315 59 I HN 0.496 nan 8.210 nan 0.000 0.451 60 S N 7.451 123.194 115.700 0.071 0.000 2.404 60 S HA 0.461 4.930 4.470 -0.000 0.000 0.309 60 S C 0.410 175.079 174.600 0.115 0.000 1.076 60 S CA -0.448 57.808 58.200 0.095 0.000 1.095 60 S CB 0.391 63.648 63.200 0.095 0.000 0.972 60 S HN 0.470 nan 8.310 nan 0.000 0.484 61 L N 2.564 123.868 121.223 0.135 0.000 3.202 61 L HA 0.351 4.691 4.340 -0.000 0.000 0.278 61 L C 1.554 178.517 176.870 0.156 0.000 1.268 61 L CA -0.347 54.582 54.840 0.148 0.000 1.034 61 L CB 0.058 42.226 42.059 0.181 0.000 1.407 61 L HN 0.766 nan 8.230 nan 0.000 0.581 62 G N 0.489 109.395 108.800 0.177 0.000 2.632 62 G HA2 0.097 4.057 3.960 -0.000 0.000 0.220 62 G HA3 0.097 4.057 3.960 -0.000 0.000 0.220 62 G C 0.544 175.569 174.900 0.209 0.000 1.439 62 G CA -0.250 44.986 45.100 0.226 0.000 0.934 62 G HN 0.113 nan 8.290 nan 0.000 0.536 63 I N 2.103 122.783 120.570 0.182 0.000 2.752 63 I HA 0.338 4.508 4.170 -0.000 0.000 0.287 63 I C 1.070 177.191 176.117 0.007 0.000 1.188 63 I CA -0.146 61.142 61.300 -0.020 0.000 1.427 63 I CB 0.962 38.898 38.000 -0.107 0.000 1.365 63 I HN 0.204 nan 8.210 nan 0.000 0.585 64 G N 5.982 114.754 108.800 -0.047 0.000 3.101 64 G HA2 0.051 4.011 3.960 -0.000 0.000 0.272 64 G HA3 0.051 4.011 3.960 -0.000 0.000 0.272 64 G C -0.446 174.649 174.900 0.325 0.000 0.801 64 G CA -0.252 44.955 45.100 0.177 0.000 1.978 64 G HN 0.689 nan 8.290 nan 0.000 0.591 65 D N 1.676 122.211 120.400 0.226 0.000 2.232 65 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 65 D C 1.131 177.411 176.300 -0.034 0.000 1.093 65 D CA -0.352 53.691 54.000 0.073 0.000 0.845 65 D CB 1.115 41.941 40.800 0.044 0.000 1.124 65 D HN 0.262 nan 8.370 nan 0.000 0.467 66 T N 0.418 114.773 114.554 -0.331 0.000 2.903 66 T HA 0.233 4.583 4.350 -0.000 0.000 0.314 66 T C 1.225 175.896 174.700 -0.048 0.000 1.078 66 T CA 0.100 61.924 62.100 -0.459 0.000 1.114 66 T CB 0.969 69.620 68.868 -0.362 0.000 0.987 66 T HN 0.485 nan 8.240 nan 0.000 0.548 67 T N -2.610 112.024 114.554 0.133 0.000 2.966 67 T HA 0.209 4.559 4.350 -0.000 0.000 0.254 67 T C 0.215 175.064 174.700 0.247 0.000 0.961 67 T CA -0.440 61.743 62.100 0.140 0.000 0.915 67 T CB 0.285 69.180 68.868 0.045 0.000 1.186 67 T HN 0.541 nan 8.240 nan 0.000 0.505 68 E N 3.054 123.441 120.200 0.310 0.000 2.313 68 E HA 0.489 4.839 4.350 -0.000 0.000 0.272 68 E C -2.449 174.217 176.600 0.110 0.000 1.038 68 E CA -2.503 53.993 56.400 0.159 0.000 0.863 68 E CB 0.361 30.008 29.700 -0.087 0.000 1.060 68 E HN 0.261 nan 8.360 nan 0.000 0.402 69 P HA 0.062 nan 4.420 nan 0.000 0.269 69 P C -0.045 177.296 177.300 0.068 0.000 1.217 69 P CA 0.090 63.223 63.100 0.056 0.000 0.783 69 P CB 0.404 32.116 31.700 0.019 0.000 0.898 70 I N 2.904 123.531 120.570 0.094 0.000 2.529 70 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 70 I C -1.808 174.364 176.117 0.091 0.000 1.082 70 I CA -1.918 59.463 61.300 0.134 0.000 1.406 70 I CB 0.159 38.270 38.000 0.186 0.000 1.405 70 I HN 0.210 nan 8.210 nan 0.000 0.548 71 P HA 0.012 nan 4.420 nan 0.000 0.266 71 P C 0.257 177.590 177.300 0.056 0.000 1.195 71 P CA 0.003 63.135 63.100 0.054 0.000 0.768 71 P CB 0.493 32.225 31.700 0.053 0.000 0.838 72 E N 1.106 121.328 120.200 0.036 0.000 2.160 72 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 72 E C 1.678 178.300 176.600 0.036 0.000 0.991 72 E CA 0.811 57.230 56.400 0.033 0.000 0.810 72 E CB -0.272 29.441 29.700 0.022 0.000 0.742 72 E HN 0.223 nan 8.360 nan 0.000 0.466 73 V N 1.123 121.058 119.914 0.035 0.000 2.490 73 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 73 V C 1.879 177.998 176.094 0.041 0.000 1.061 73 V CA 1.522 63.840 62.300 0.031 0.000 1.064 73 V CB -0.156 31.681 31.823 0.023 0.000 0.670 73 V HN 0.216 nan 8.190 nan 0.000 0.461 74 I N 0.405 121.012 120.570 0.062 0.000 2.277 74 I HA -0.143 4.027 4.170 -0.000 0.000 0.243 74 I C 2.680 178.855 176.117 0.098 0.000 1.094 74 I CA 1.744 63.101 61.300 0.095 0.000 1.393 74 I CB -0.666 37.419 38.000 0.142 0.000 1.078 74 I HN 0.482 nan 8.210 nan 0.000 0.417 75 T N -2.259 112.344 114.554 0.082 0.000 2.821 75 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 75 T C 2.004 176.720 174.700 0.026 0.000 1.046 75 T CA 1.452 63.580 62.100 0.046 0.000 1.139 75 T CB -0.485 68.404 68.868 0.035 0.000 0.871 75 T HN 0.142 nan 8.240 nan 0.000 0.454 76 S N 1.880 117.600 115.700 0.032 0.000 2.370 76 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 76 S C 2.609 177.225 174.600 0.027 0.000 1.033 76 S CA 1.062 59.280 58.200 0.030 0.000 1.011 76 S CB -0.848 62.372 63.200 0.033 0.000 0.852 76 S HN 0.786 nan 8.310 nan 0.000 0.457 77 A N 1.445 124.282 122.820 0.028 0.000 1.902 77 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 77 A C 2.143 179.733 177.584 0.009 0.000 1.181 77 A CA 1.420 53.471 52.037 0.023 0.000 0.623 77 A CB -0.564 18.452 19.000 0.027 0.000 0.818 77 A HN 0.477 nan 8.150 nan 0.000 0.443 78 M N -0.678 118.925 119.600 0.003 0.000 2.132 78 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 78 M C 2.582 178.842 176.300 -0.067 0.000 1.065 78 M CA 1.373 56.655 55.300 -0.030 0.000 1.122 78 M CB -0.498 32.074 32.600 -0.046 0.000 1.365 78 M HN 0.475 nan 8.290 nan 0.000 0.411 79 A N 0.713 123.491 122.820 -0.070 0.000 1.902 79 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 79 A C 2.166 179.657 177.584 -0.155 0.000 1.181 79 A CA 2.102 54.049 52.037 -0.150 0.000 0.623 79 A CB -0.703 18.252 19.000 -0.075 0.000 0.818 79 A HN 0.479 nan 8.150 nan 0.000 0.443 80 K N -0.307 120.092 120.400 -0.002 0.000 2.026 80 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 80 K C 2.129 178.752 176.600 0.037 0.000 1.048 80 K CA 1.900 58.231 56.287 0.074 0.000 0.929 80 K CB -0.150 32.387 32.500 0.063 0.000 0.713 80 K HN 0.251 nan 8.250 nan 0.000 0.439 81 K N 0.845 121.241 120.400 -0.006 0.000 2.057 81 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 81 K C 1.791 178.376 176.600 -0.026 0.000 1.049 81 K CA 1.659 57.939 56.287 -0.012 0.000 0.931 81 K CB -0.594 31.892 32.500 -0.023 0.000 0.714 81 K HN 0.269 nan 8.250 nan 0.000 0.440 82 A N 0.657 123.426 122.820 -0.085 0.000 1.883 82 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 82 A C 2.056 179.603 177.584 -0.062 0.000 1.186 82 A CA 1.941 53.910 52.037 -0.113 0.000 0.624 82 A CB -1.035 17.840 19.000 -0.209 0.000 0.822 82 A HN 0.507 nan 8.150 nan 0.000 0.444 83 H N -0.247 118.830 119.070 0.012 0.000 2.352 83 H HA -0.111 4.444 4.556 -0.000 0.000 0.299 83 H C 2.033 177.376 175.328 0.024 0.000 1.097 83 H CA 1.724 57.781 56.048 0.016 0.000 1.311 83 H CB -0.502 29.267 29.762 0.011 0.000 1.377 83 H HN 0.690 nan 8.280 nan 0.000 0.504 84 E N 0.512 120.796 120.200 0.141 0.000 2.160 84 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 84 E C 2.257 178.919 176.600 0.102 0.000 0.991 84 E CA 0.496 56.952 56.400 0.093 0.000 0.810 84 E CB -0.121 29.613 29.700 0.057 0.000 0.742 84 E HN 0.365 nan 8.360 nan 0.000 0.466 85 L N 0.380 121.664 121.223 0.102 0.000 2.353 85 L HA -0.110 4.230 4.340 -0.000 0.000 0.220 85 L C 1.944 178.935 176.870 0.201 0.000 1.133 85 L CA 0.487 55.433 54.840 0.177 0.000 0.798 85 L CB -0.032 42.105 42.059 0.131 0.000 0.922 85 L HN -0.013 nan 8.230 nan 0.000 0.445 86 S N -1.154 114.620 115.700 0.124 0.000 2.631 86 S HA 0.021 4.491 4.470 -0.000 0.000 0.217 86 S C 0.771 175.406 174.600 0.058 0.000 0.958 86 S CA 0.196 58.443 58.200 0.078 0.000 0.920 86 S CB -0.171 63.075 63.200 0.077 0.000 0.776 86 S HN 0.557 nan 8.310 nan 0.000 0.517 87 T N -1.255 113.348 114.554 0.081 0.000 2.912 87 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 87 T C 1.208 175.951 174.700 0.072 0.000 1.030 87 T CA -0.844 61.291 62.100 0.058 0.000 1.020 87 T CB 0.812 69.712 68.868 0.054 0.000 1.056 87 T HN -0.171 nan 8.240 nan 0.000 0.480 88 I N 1.690 122.286 120.570 0.042 0.000 2.163 88 I HA -0.141 4.028 4.170 -0.000 0.000 0.243 88 I C 2.764 178.927 176.117 0.077 0.000 1.085 88 I CA 1.698 63.027 61.300 0.047 0.000 1.347 88 I CB -1.297 36.717 38.000 0.023 0.000 1.044 88 I HN 0.911 nan 8.210 nan 0.000 0.408 89 E N 0.937 121.171 120.200 0.057 0.000 2.152 89 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 89 E C 2.084 178.719 176.600 0.058 0.000 0.983 89 E CA 1.490 57.920 56.400 0.050 0.000 0.818 89 E CB -0.741 28.979 29.700 0.032 0.000 0.758 89 E HN 0.444 nan 8.360 nan 0.000 0.467 90 G N 0.170 109.012 108.800 0.070 0.000 2.939 90 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.210 90 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.210 90 G C 0.161 175.101 174.900 0.067 0.000 1.160 90 G CA -0.356 44.779 45.100 0.058 0.000 0.770 90 G HN 0.265 nan 8.290 nan 0.000 0.543 91 Y N 3.019 123.318 120.300 -0.002 0.000 2.425 91 Y HA 0.404 4.954 4.550 0.000 0.000 0.331 91 Y C 0.314 176.206 175.900 -0.013 0.000 1.157 91 Y CA -0.770 57.323 58.100 -0.010 0.000 1.372 91 Y CB 0.874 39.326 38.460 -0.014 0.000 1.253 91 Y HN 0.094 nan 8.280 nan 0.000 0.536 92 S N 3.538 118.635 115.700 -1.004 0.000 2.549 92 S HA 0.814 5.284 4.470 -0.000 0.000 0.280 92 S C -0.083 173.874 174.600 -1.072 0.000 1.109 92 S CA -0.434 57.299 58.200 -0.778 0.000 0.905 92 S CB 1.580 64.578 63.200 -0.336 0.000 1.081 92 S HN 1.006 nan 8.310 nan 0.000 0.477 93 G N 0.447 108.908 108.800 -0.566 0.000 3.329 93 G HA2 0.442 4.402 3.960 -0.000 0.000 0.180 93 G HA3 0.442 4.402 3.960 -0.000 0.000 0.180 93 G C -0.814 173.947 174.900 -0.233 0.000 1.640 93 G CA -0.739 44.159 45.100 -0.336 0.000 1.018 93 G HN 0.633 nan 8.290 nan 0.000 0.581 94 Y N 1.181 121.442 120.300 -0.066 0.000 2.811 94 Y HA 0.352 4.901 4.550 -0.000 0.000 0.334 94 Y C 1.235 177.088 175.900 -0.078 0.000 1.247 94 Y CA 0.608 58.667 58.100 -0.069 0.000 1.526 94 Y CB 0.312 38.744 38.460 -0.047 0.000 1.284 94 Y HN 0.421 nan 8.280 nan 0.000 0.586 95 G N 0.898 109.756 108.800 0.096 0.000 2.521 95 G HA2 0.597 4.557 3.960 -0.000 0.000 0.323 95 G HA3 0.597 4.557 3.960 -0.000 0.000 0.323 95 G C -0.946 173.974 174.900 0.034 0.000 1.211 95 G CA -0.699 44.421 45.100 0.033 0.000 0.979 95 G HN 0.876 nan 8.290 nan 0.000 0.490 96 A N -0.263 122.571 122.820 0.022 0.000 2.520 96 A HA 0.333 4.652 4.320 -0.000 0.000 0.245 96 A C 1.150 178.752 177.584 0.030 0.000 1.072 96 A CA 0.176 52.226 52.037 0.021 0.000 0.761 96 A CB 0.087 19.101 19.000 0.024 0.000 1.004 96 A HN 0.712 nan 8.150 nan 0.000 0.499 97 E N 1.098 121.311 120.200 0.022 0.000 2.209 97 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 97 E C 1.806 178.523 176.600 0.197 0.000 0.993 97 E CA 1.728 58.154 56.400 0.043 0.000 0.819 97 E CB -0.050 29.677 29.700 0.044 0.000 0.745 97 E HN 0.860 nan 8.360 nan 0.000 0.477 98 Q N -0.253 119.654 119.800 0.179 0.000 2.435 98 Q HA 0.045 4.385 4.340 -0.000 0.000 0.207 98 Q C 0.135 176.242 176.000 0.179 0.000 0.956 98 Q CA 0.585 56.518 55.803 0.216 0.000 0.917 98 Q CB 0.271 29.047 28.738 0.064 0.000 0.997 98 Q HN 0.232 nan 8.270 nan 0.000 0.497 99 G N -0.574 108.310 108.800 0.141 0.000 2.617 99 G HA2 0.015 3.975 3.960 -0.000 0.000 0.686 99 G HA3 0.015 3.975 3.960 -0.000 0.000 0.686 99 G C -0.747 174.194 174.900 0.068 0.000 1.214 99 G CA -0.664 44.512 45.100 0.128 0.000 0.796 99 G HN 0.399 nan 8.290 nan 0.000 0.654 100 A N 1.139 123.994 122.820 0.057 0.000 2.565 100 A HA 0.474 4.794 4.320 -0.000 0.000 0.237 100 A C 1.636 179.232 177.584 0.020 0.000 1.053 100 A CA 1.482 53.536 52.037 0.030 0.000 0.755 100 A CB 0.341 19.355 19.000 0.024 0.000 0.980 100 A HN 1.371 nan 8.150 nan 0.000 0.506 101 K N 2.329 122.732 120.400 0.004 0.000 2.032 101 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 101 K C -0.956 175.641 176.600 -0.006 0.000 1.048 101 K CA 2.024 58.307 56.287 -0.008 0.000 0.927 101 K CB -0.831 31.661 32.500 -0.014 0.000 0.712 101 K HN 0.571 nan 8.250 nan 0.000 0.441 102 P HA -0.153 nan 4.420 nan 0.000 0.218 102 P C 1.197 178.497 177.300 0.000 0.000 1.148 102 P CA 0.808 63.905 63.100 -0.005 0.000 0.822 102 P CB 0.055 31.752 31.700 -0.005 0.000 0.784 103 L N -0.347 120.885 121.223 0.015 0.000 2.072 103 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 103 L C 2.318 179.206 176.870 0.029 0.000 1.079 103 L CA 1.716 56.575 54.840 0.032 0.000 0.752 103 L CB -0.848 41.249 42.059 0.062 0.000 0.906 103 L HN -0.234 nan 8.230 nan 0.000 0.436 104 R N -0.375 120.140 120.500 0.024 0.000 2.091 104 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 104 R C 2.246 178.539 176.300 -0.012 0.000 1.136 104 R CA 1.404 57.508 56.100 0.005 0.000 0.959 104 R CB -0.767 29.521 30.300 -0.020 0.000 0.856 104 R HN 0.531 nan 8.270 nan 0.000 0.437 105 A N 1.345 124.156 122.820 -0.015 0.000 1.883 105 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 105 A C 2.409 179.981 177.584 -0.020 0.000 1.186 105 A CA 1.816 53.842 52.037 -0.018 0.000 0.624 105 A CB -0.729 18.259 19.000 -0.021 0.000 0.822 105 A HN 0.417 nan 8.150 nan 0.000 0.444 106 A N -0.132 122.674 122.820 -0.023 0.000 1.902 106 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 106 A C 2.138 179.685 177.584 -0.061 0.000 1.181 106 A CA 1.572 53.584 52.037 -0.043 0.000 0.623 106 A CB -0.640 18.343 19.000 -0.028 0.000 0.818 106 A HN 0.512 nan 8.150 nan 0.000 0.443 107 I N -0.236 120.311 120.570 -0.039 0.000 2.142 107 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 107 I C 3.011 179.178 176.117 0.083 0.000 1.078 107 I CA 1.150 62.413 61.300 -0.062 0.000 1.343 107 I CB -0.422 37.395 38.000 -0.304 0.000 1.046 107 I HN 0.359 nan 8.210 nan 0.000 0.405 108 A N 1.699 124.576 122.820 0.096 0.000 1.908 108 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 108 A C 2.353 180.028 177.584 0.151 0.000 1.181 108 A CA 2.380 54.533 52.037 0.194 0.000 0.627 108 A CB -0.625 18.413 19.000 0.064 0.000 0.818 108 A HN 0.583 nan 8.150 nan 0.000 0.445 109 K N -1.681 118.733 120.400 0.023 0.000 2.116 109 K HA -0.020 4.299 4.320 -0.000 0.000 0.203 109 K C 1.761 178.294 176.600 -0.112 0.000 1.052 109 K CA 1.629 57.900 56.287 -0.026 0.000 0.952 109 K CB -0.683 31.789 32.500 -0.046 0.000 0.729 109 K HN 0.243 nan 8.250 nan 0.000 0.446 110 T N 0.730 115.146 114.554 -0.231 0.000 2.737 110 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 110 T C 1.246 175.591 174.700 -0.593 0.000 1.038 110 T CA 1.373 63.180 62.100 -0.488 0.000 1.144 110 T CB -0.203 68.210 68.868 -0.758 0.000 0.866 110 T HN 0.186 nan 8.240 nan 0.000 0.434 111 F N -0.870 118.909 119.950 -0.286 0.000 2.656 111 F HA 0.292 4.819 4.527 -0.000 0.000 0.291 111 F C 0.860 176.210 175.800 -0.749 0.000 1.122 111 F CA -0.212 57.447 58.000 -0.569 0.000 1.427 111 F CB 0.132 38.642 39.000 -0.816 0.000 1.125 111 F HN 0.165 nan 8.300 nan 0.000 0.583 112 Y N -0.698 119.719 120.300 0.196 0.000 2.707 112 Y HA 0.420 4.970 4.550 -0.000 0.000 0.249 112 Y C 1.283 177.222 175.900 0.065 0.000 1.166 112 Y CA -1.230 56.965 58.100 0.159 0.000 1.184 112 Y CB -0.333 38.224 38.460 0.161 0.000 1.240 112 Y HN -0.122 nan 8.280 nan 0.000 0.547 113 G N 0.373 109.231 108.800 0.096 0.000 2.272 113 G HA2 0.337 4.297 3.960 -0.000 0.000 0.247 113 G HA3 0.337 4.297 3.960 -0.000 0.000 0.247 113 G C 1.123 176.056 174.900 0.054 0.000 1.272 113 G CA 0.611 45.740 45.100 0.048 0.000 0.921 113 G HN 0.778 nan 8.290 nan 0.000 0.495 114 G N 1.216 110.043 108.800 0.045 0.000 2.179 114 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.260 114 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.260 114 G C 0.876 175.810 174.900 0.057 0.000 0.977 114 G CA 0.501 45.624 45.100 0.039 0.000 0.641 114 G HN 0.859 nan 8.290 nan 0.000 0.533 115 L N 0.165 121.442 121.223 0.089 0.000 2.769 115 L HA 0.468 4.808 4.340 -0.000 0.000 0.240 115 L C 1.927 178.809 176.870 0.021 0.000 1.163 115 L CA 0.352 55.254 54.840 0.103 0.000 0.962 115 L CB 0.098 42.296 42.059 0.231 0.000 1.258 115 L HN 0.872 nan 8.230 nan 0.000 0.513 116 G N 1.157 109.954 108.800 -0.005 0.000 2.176 116 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 116 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 116 G C 0.076 174.904 174.900 -0.120 0.000 1.024 116 G CA -0.190 44.878 45.100 -0.054 0.000 0.755 116 G HN 0.191 nan 8.290 nan 0.000 0.507 117 I N 1.248 121.748 120.570 -0.116 0.000 2.336 117 I HA 0.536 4.706 4.170 -0.000 0.000 0.292 117 I C 1.155 177.212 176.117 -0.099 0.000 0.991 117 I CA -0.373 60.815 61.300 -0.186 0.000 1.227 117 I CB 0.816 38.661 38.000 -0.258 0.000 1.366 117 I HN 0.145 nan 8.210 nan 0.000 0.466 118 G N 3.976 112.709 108.800 -0.112 0.000 2.477 118 G HA2 0.286 4.246 3.960 -0.000 0.000 0.304 118 G HA3 0.286 4.246 3.960 -0.000 0.000 0.304 118 G C 0.455 175.305 174.900 -0.083 0.000 1.175 118 G CA -0.353 44.699 45.100 -0.079 0.000 0.907 118 G HN 0.589 nan 8.290 nan 0.000 0.509 119 D N 0.281 120.641 120.400 -0.066 0.000 2.158 119 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 119 D C 1.980 178.208 176.300 -0.120 0.000 0.995 119 D CA 1.548 55.506 54.000 -0.071 0.000 0.846 119 D CB 0.052 40.819 40.800 -0.055 0.000 0.941 119 D HN 0.610 nan 8.370 nan 0.000 0.456 120 D N 0.237 120.560 120.400 -0.128 0.000 2.371 120 D HA -0.115 4.525 4.640 -0.000 0.000 0.221 120 D C 0.665 176.808 176.300 -0.261 0.000 0.986 120 D CA 0.459 54.348 54.000 -0.184 0.000 0.899 120 D CB -0.192 40.537 40.800 -0.117 0.000 0.902 120 D HN 0.101 nan 8.370 nan 0.000 0.530 121 D N 0.261 120.548 120.400 -0.188 0.000 2.349 121 D HA 0.046 4.686 4.640 -0.000 0.000 0.215 121 D C 0.304 176.552 176.300 -0.086 0.000 1.016 121 D CA 0.090 54.023 54.000 -0.113 0.000 0.870 121 D CB 1.012 41.738 40.800 -0.123 0.000 0.917 121 D HN 0.119 nan 8.370 nan 0.000 0.524 122 V N 1.281 121.077 119.914 -0.196 0.000 2.427 122 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 122 V C -0.547 175.452 176.094 -0.158 0.000 1.034 122 V CA -0.602 61.694 62.300 -0.006 0.000 0.893 122 V CB 1.247 33.080 31.823 0.017 0.000 0.982 122 V HN -0.142 nan 8.190 nan 0.000 0.452 123 F N 3.085 123.206 119.950 0.285 0.000 2.499 123 F HA 0.508 5.034 4.527 -0.000 0.000 0.333 123 F C 0.041 176.071 175.800 0.384 0.000 1.138 123 F CA -0.802 57.399 58.000 0.334 0.000 0.945 123 F CB 1.770 41.056 39.000 0.476 0.000 1.181 123 F HN 0.167 nan 8.300 nan 0.000 0.435 124 V N 3.369 123.567 119.914 0.474 0.000 2.530 124 V HA 0.469 4.589 4.120 -0.000 0.000 0.282 124 V C 0.181 176.569 176.094 0.490 0.000 1.048 124 V CA -0.247 62.335 62.300 0.470 0.000 0.997 124 V CB 1.072 33.111 31.823 0.360 0.000 0.987 124 V HN 0.868 nan 8.190 nan 0.000 0.477 125 S N 2.159 118.117 115.700 0.429 0.000 2.715 125 S HA 0.442 4.912 4.470 -0.000 0.000 0.307 125 S C 0.215 175.021 174.600 0.343 0.000 1.119 125 S CA -0.464 57.914 58.200 0.296 0.000 0.937 125 S CB 1.838 65.097 63.200 0.099 0.000 1.150 125 S HN 0.777 nan 8.310 nan 0.000 0.521 126 D N -0.591 119.983 120.400 0.290 0.000 2.325 126 D HA 0.373 5.013 4.640 -0.000 0.000 0.234 126 D C 0.676 177.069 176.300 0.155 0.000 1.122 126 D CA 0.287 54.446 54.000 0.265 0.000 0.850 126 D CB -0.461 40.526 40.800 0.312 0.000 0.921 126 D HN 1.135 nan 8.370 nan 0.000 0.513 127 G N -1.359 107.509 108.800 0.113 0.000 2.321 127 G HA2 0.295 4.255 3.960 -0.000 0.000 0.339 127 G HA3 0.295 4.255 3.960 -0.000 0.000 0.339 127 G C 0.333 175.226 174.900 -0.011 0.000 1.518 127 G CA -0.248 44.886 45.100 0.057 0.000 0.994 127 G HN 0.223 nan 8.290 nan 0.000 0.668 128 A N 0.428 123.204 122.820 -0.073 0.000 1.930 128 A HA 0.095 4.414 4.320 -0.000 0.000 0.217 128 A C 2.173 179.744 177.584 -0.022 0.000 1.175 128 A CA 2.296 54.274 52.037 -0.099 0.000 0.627 128 A CB -0.369 18.510 19.000 -0.202 0.000 0.815 128 A HN 0.859 nan 8.150 nan 0.000 0.443 129 K N -0.316 120.082 120.400 -0.002 0.000 2.074 129 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 129 K C 1.943 178.560 176.600 0.027 0.000 1.048 129 K CA 1.958 58.281 56.287 0.061 0.000 0.926 129 K CB -0.452 32.093 32.500 0.075 0.000 0.713 129 K HN 0.594 nan 8.250 nan 0.000 0.444 130 C N 1.027 120.324 119.300 -0.006 0.000 2.440 130 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 130 C C 2.160 177.125 174.990 -0.041 0.000 1.295 130 C CA 0.401 59.394 59.018 -0.041 0.000 1.738 130 C CB -0.794 26.898 27.740 -0.079 0.000 1.987 130 C HN 0.533 nan 8.230 nan 0.000 0.492 131 D N 1.077 121.465 120.400 -0.020 0.000 2.144 131 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 131 D C 1.938 178.275 176.300 0.061 0.000 0.984 131 D CA 0.981 55.000 54.000 0.031 0.000 0.834 131 D CB -0.361 40.448 40.800 0.017 0.000 0.955 131 D HN 0.457 nan 8.370 nan 0.000 0.465 132 I N 0.466 121.091 120.570 0.091 0.000 2.163 132 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 132 I C 2.344 178.545 176.117 0.140 0.000 1.085 132 I CA 0.954 62.361 61.300 0.178 0.000 1.347 132 I CB -0.117 38.025 38.000 0.237 0.000 1.044 132 I HN -0.101 nan 8.210 nan 0.000 0.408 133 S N -0.003 115.739 115.700 0.070 0.000 2.387 133 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 133 S C 2.043 176.668 174.600 0.041 0.000 1.026 133 S CA 0.946 59.170 58.200 0.041 0.000 0.972 133 S CB -0.164 63.032 63.200 -0.008 0.000 0.814 133 S HN 0.340 nan 8.310 nan 0.000 0.477 134 R N 0.638 121.159 120.500 0.036 0.000 2.092 134 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 134 R C 2.138 178.496 176.300 0.097 0.000 1.119 134 R CA 0.850 56.976 56.100 0.043 0.000 0.970 134 R CB -0.474 29.825 30.300 -0.003 0.000 0.864 134 R HN 0.355 nan 8.270 nan 0.000 0.440 135 L N 0.730 122.007 121.223 0.090 0.000 2.083 135 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 135 L C 2.610 179.353 176.870 -0.212 0.000 1.083 135 L CA 1.237 55.975 54.840 -0.169 0.000 0.752 135 L CB -0.357 41.567 42.059 -0.225 0.000 0.899 135 L HN 0.198 nan 8.230 nan 0.000 0.433 136 Q N -0.562 119.292 119.800 0.091 0.000 2.119 136 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 136 Q C 2.431 178.511 176.000 0.133 0.000 0.972 136 Q CA 1.251 57.190 55.803 0.225 0.000 0.847 136 Q CB -0.282 28.590 28.738 0.223 0.000 0.903 136 Q HN 0.406 nan 8.270 nan 0.000 0.433 137 V N 1.446 121.395 119.914 0.059 0.000 2.343 137 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 137 V C 2.407 178.520 176.094 0.031 0.000 1.051 137 V CA 1.899 64.222 62.300 0.037 0.000 1.036 137 V CB -0.638 31.191 31.823 0.010 0.000 0.654 137 V HN 0.377 nan 8.190 nan 0.000 0.451 138 M N -0.700 118.891 119.600 -0.014 0.000 2.067 138 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 138 M C 2.186 178.516 176.300 0.050 0.000 1.069 138 M CA 2.259 57.542 55.300 -0.028 0.000 1.117 138 M CB -0.257 32.284 32.600 -0.099 0.000 1.334 138 M HN 0.303 nan 8.290 nan 0.000 0.407 139 F N 0.913 120.945 119.950 0.136 0.000 2.126 139 F HA 0.107 4.634 4.527 0.000 0.000 0.299 139 F C 1.905 177.742 175.800 0.061 0.000 1.096 139 F CA 1.210 59.286 58.000 0.127 0.000 1.255 139 F CB -1.431 37.641 39.000 0.120 0.000 0.997 139 F HN 0.447 nan 8.300 nan 0.000 0.479 140 G N -0.597 108.346 108.800 0.239 0.000 2.698 140 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 140 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 140 G C 0.770 175.736 174.900 0.111 0.000 1.345 140 G CA 0.042 45.217 45.100 0.125 0.000 0.871 140 G HN 0.566 nan 8.290 nan 0.000 0.540 141 S N -1.084 114.653 115.700 0.062 0.000 2.489 141 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 141 S C 1.390 176.013 174.600 0.039 0.000 0.995 141 S CA 1.433 59.661 58.200 0.047 0.000 0.934 141 S CB -0.105 63.111 63.200 0.028 0.000 0.771 141 S HN 0.685 nan 8.310 nan 0.000 0.522 142 N N 1.228 119.949 118.700 0.034 0.000 2.280 142 N HA 0.174 4.914 4.740 -0.000 0.000 0.192 142 N C 0.124 175.643 175.510 0.015 0.000 1.109 142 N CA 0.089 53.149 53.050 0.018 0.000 0.855 142 N CB 0.833 39.321 38.487 0.002 0.000 0.974 142 N HN 0.463 nan 8.380 nan 0.000 0.482 143 V N -0.546 119.383 119.914 0.026 0.000 2.785 143 V HA 0.486 4.606 4.120 -0.000 0.000 0.300 143 V C 0.526 176.619 176.094 -0.003 0.000 1.062 143 V CA -0.789 61.508 62.300 -0.006 0.000 1.029 143 V CB 1.261 33.054 31.823 -0.050 0.000 1.024 143 V HN 0.043 nan 8.190 nan 0.000 0.477 144 T N 2.545 117.086 114.554 -0.021 0.000 2.902 144 T HA 0.774 5.124 4.350 -0.000 0.000 0.283 144 T C -0.271 174.421 174.700 -0.014 0.000 1.009 144 T CA -0.473 61.625 62.100 -0.003 0.000 1.051 144 T CB 1.480 70.349 68.868 0.001 0.000 0.999 144 T HN 1.294 nan 8.240 nan 0.000 0.474 145 I N -0.596 119.987 120.570 0.023 0.000 2.740 145 I HA 0.918 5.088 4.170 -0.000 0.000 0.303 145 I C -0.622 175.522 176.117 0.045 0.000 1.044 145 I CA -1.615 59.719 61.300 0.057 0.000 1.064 145 I CB 1.823 39.945 38.000 0.202 0.000 1.249 145 I HN 0.885 nan 8.210 nan 0.000 0.433 146 A N 4.721 127.583 122.820 0.070 0.000 2.350 146 A HA 0.865 5.185 4.320 -0.000 0.000 0.324 146 A C -0.552 177.090 177.584 0.096 0.000 1.118 146 A CA -0.467 51.603 52.037 0.054 0.000 0.783 146 A CB 1.602 20.651 19.000 0.080 0.000 1.236 146 A HN 1.300 nan 8.150 nan 0.000 0.457 147 V N -0.004 119.917 119.914 0.012 0.000 2.962 147 V HA 0.606 4.726 4.120 -0.000 0.000 0.313 147 V C -0.496 175.617 176.094 0.030 0.000 1.099 147 V CA -1.032 61.299 62.300 0.052 0.000 0.971 147 V CB 1.204 33.035 31.823 0.013 0.000 1.028 147 V HN 0.951 nan 8.190 nan 0.000 0.430 148 Q N 1.461 121.276 119.800 0.024 0.000 2.349 148 Q HA 0.300 4.640 4.340 -0.000 0.000 0.287 148 Q C -0.835 175.189 176.000 0.039 0.000 1.044 148 Q CA 0.675 56.459 55.803 -0.031 0.000 0.918 148 Q CB 0.475 29.111 28.738 -0.170 0.000 1.242 148 Q HN 0.867 nan 8.270 nan 0.000 0.405 149 D N 3.019 123.454 120.400 0.059 0.000 2.462 149 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 149 D C -2.562 173.768 176.300 0.049 0.000 1.122 149 D CA -2.126 51.953 54.000 0.132 0.000 0.864 149 D CB 1.165 42.111 40.800 0.244 0.000 1.098 149 D HN 0.153 nan 8.370 nan 0.000 0.541 150 P HA 0.328 nan 4.420 nan 0.000 0.278 150 P C -0.835 176.408 177.300 -0.095 0.000 1.258 150 P CA -0.436 62.648 63.100 -0.027 0.000 0.811 150 P CB 1.316 32.923 31.700 -0.155 0.000 1.063 151 S N -0.615 115.099 115.700 0.023 0.000 2.615 151 S HA 0.290 4.760 4.470 -0.000 0.000 0.269 151 S C -1.072 173.615 174.600 0.144 0.000 1.161 151 S CA -0.814 57.404 58.200 0.030 0.000 0.817 151 S CB 0.221 63.503 63.200 0.136 0.000 1.131 151 S HN 0.360 nan 8.310 nan 0.000 0.467 152 Y N 3.799 124.044 120.300 -0.092 0.000 2.865 152 Y HA 0.199 4.749 4.550 -0.000 0.000 0.338 152 Y C -1.464 174.204 175.900 -0.387 0.000 1.269 152 Y CA -0.933 57.058 58.100 -0.181 0.000 1.585 152 Y CB 0.468 38.693 38.460 -0.392 0.000 1.224 152 Y HN 0.505 nan 8.280 nan 0.000 0.554 153 P HA -0.174 nan 4.420 nan 0.000 0.225 153 P C 1.009 178.060 177.300 -0.414 0.000 1.148 153 P CA 1.770 64.553 63.100 -0.527 0.000 0.779 153 P CB -0.052 31.267 31.700 -0.635 0.000 0.780 154 A N -0.687 121.747 122.820 -0.643 0.000 1.972 154 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 154 A C 1.975 179.413 177.584 -0.244 0.000 1.169 154 A CA 1.239 53.083 52.037 -0.321 0.000 0.635 154 A CB -1.584 17.311 19.000 -0.174 0.000 0.810 154 A HN 0.087 nan 8.150 nan 0.000 0.446 155 Y N -0.344 119.791 120.300 -0.276 0.000 2.114 155 Y HA -0.131 4.418 4.550 -0.000 0.000 0.284 155 Y C 2.599 178.222 175.900 -0.461 0.000 1.143 155 Y CA 0.710 58.452 58.100 -0.597 0.000 1.135 155 Y CB -1.393 36.588 38.460 -0.799 0.000 0.980 155 Y HN 0.065 nan 8.280 nan 0.000 0.499 156 V N 0.464 120.286 119.914 -0.154 0.000 2.295 156 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 156 V C 1.858 177.839 176.094 -0.188 0.000 1.049 156 V CA 2.251 64.473 62.300 -0.129 0.000 1.024 156 V CB -0.599 31.226 31.823 0.004 0.000 0.648 156 V HN 0.300 nan 8.190 nan 0.000 0.447 157 D N 0.155 120.457 120.400 -0.163 0.000 2.144 157 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 157 D C 2.424 178.621 176.300 -0.171 0.000 0.978 157 D CA 1.636 55.529 54.000 -0.178 0.000 0.833 157 D CB -0.299 40.449 40.800 -0.086 0.000 0.961 157 D HN 0.586 nan 8.370 nan 0.000 0.470 158 S N -0.494 115.119 115.700 -0.144 0.000 2.383 158 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 158 S C 2.082 176.644 174.600 -0.063 0.000 1.026 158 S CA 1.364 59.508 58.200 -0.093 0.000 0.981 158 S CB -0.316 62.850 63.200 -0.056 0.000 0.818 158 S HN 0.110 nan 8.310 nan 0.000 0.472 159 S N 1.051 116.699 115.700 -0.087 0.000 2.356 159 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 159 S C 1.876 176.424 174.600 -0.086 0.000 1.032 159 S CA 1.478 59.649 58.200 -0.049 0.000 1.005 159 S CB -0.759 62.405 63.200 -0.061 0.000 0.867 159 S HN 0.458 nan 8.310 nan 0.000 0.449 160 V N 2.088 121.886 119.914 -0.192 0.000 2.287 160 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 160 V C 2.296 178.317 176.094 -0.122 0.000 1.053 160 V CA 2.054 64.216 62.300 -0.230 0.000 1.027 160 V CB -0.716 30.822 31.823 -0.475 0.000 0.646 160 V HN 0.507 nan 8.190 nan 0.000 0.447 161 I N -0.666 119.838 120.570 -0.109 0.000 2.208 161 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 161 I C 2.304 178.402 176.117 -0.031 0.000 1.097 161 I CA 1.459 62.721 61.300 -0.065 0.000 1.363 161 I CB -0.276 37.683 38.000 -0.067 0.000 1.051 161 I HN 0.270 nan 8.210 nan 0.000 0.413 162 M N -0.009 119.582 119.600 -0.016 0.000 2.618 162 M HA 0.128 4.608 4.480 -0.000 0.000 0.240 162 M C 1.471 177.780 176.300 0.016 0.000 1.123 162 M CA 0.745 56.054 55.300 0.014 0.000 1.060 162 M CB -0.901 31.728 32.600 0.049 0.000 1.535 162 M HN 0.459 nan 8.290 nan 0.000 0.507 163 G N 0.784 109.585 108.800 0.002 0.000 2.132 163 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 163 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 163 G C 0.616 175.527 174.900 0.020 0.000 1.000 163 G CA 0.270 45.376 45.100 0.010 0.000 0.693 163 G HN 0.520 nan 8.290 nan 0.000 0.515 164 Q N -0.070 119.742 119.800 0.019 0.000 2.403 164 Q HA 0.233 4.573 4.340 -0.000 0.000 0.203 164 Q C 1.364 177.383 176.000 0.032 0.000 0.932 164 Q CA 1.081 56.902 55.803 0.030 0.000 0.945 164 Q CB 0.467 29.231 28.738 0.043 0.000 1.045 164 Q HN 0.787 nan 8.270 nan 0.000 0.511 165 T N -4.477 110.096 114.554 0.032 0.000 2.838 165 T HA 0.686 5.036 4.350 -0.000 0.000 0.292 165 T C 0.334 175.087 174.700 0.087 0.000 1.113 165 T CA -0.501 61.638 62.100 0.064 0.000 1.008 165 T CB 1.745 70.647 68.868 0.057 0.000 1.259 165 T HN 0.064 nan 8.240 nan 0.000 0.520 166 G N -0.086 108.792 108.800 0.129 0.000 2.543 166 G HA2 0.537 4.497 3.960 -0.000 0.000 0.267 166 G HA3 0.537 4.497 3.960 -0.000 0.000 0.267 166 G C -0.415 174.612 174.900 0.213 0.000 1.406 166 G CA -0.702 44.478 45.100 0.133 0.000 1.048 166 G HN 0.789 nan 8.290 nan 0.000 0.548 167 Q N -1.044 118.864 119.800 0.181 0.000 2.396 167 Q HA 0.183 4.523 4.340 -0.000 0.000 0.221 167 Q C -0.859 175.290 176.000 0.247 0.000 1.025 167 Q CA -0.484 55.456 55.803 0.229 0.000 0.946 167 Q CB 1.253 30.071 28.738 0.134 0.000 1.224 167 Q HN 0.331 nan 8.270 nan 0.000 0.539 168 F N 2.434 122.406 119.950 0.036 0.000 2.504 168 F HA 0.027 4.553 4.527 -0.000 0.000 0.369 168 F C 0.491 176.194 175.800 -0.163 0.000 1.082 168 F CA -0.248 57.581 58.000 -0.285 0.000 1.216 168 F CB 0.363 39.087 39.000 -0.460 0.000 1.108 168 F HN 0.317 nan 8.300 nan 0.000 0.554 169 N N 3.929 122.210 118.700 -0.698 0.000 2.439 169 N HA 0.051 4.791 4.740 -0.000 0.000 0.249 169 N C 0.804 175.939 175.510 -0.627 0.000 1.003 169 N CA 0.242 53.009 53.050 -0.473 0.000 0.942 169 N CB 1.259 39.545 38.487 -0.336 0.000 1.115 169 N HN 0.776 nan 8.380 nan 0.000 0.505 170 T N 0.095 114.473 114.554 -0.292 0.000 3.023 170 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 170 T C 0.934 175.547 174.700 -0.145 0.000 1.093 170 T CA 0.701 62.708 62.100 -0.155 0.000 1.129 170 T CB 0.093 68.970 68.868 0.015 0.000 0.899 170 T HN 0.278 nan 8.240 nan 0.000 0.491 171 D N 1.791 122.101 120.400 -0.150 0.000 2.123 171 D HA -0.075 4.564 4.640 -0.000 0.000 0.196 171 D C 2.160 178.376 176.300 -0.139 0.000 0.992 171 D CA 1.774 55.706 54.000 -0.115 0.000 0.833 171 D CB -0.107 40.635 40.800 -0.098 0.000 0.954 171 D HN 0.580 nan 8.370 nan 0.000 0.455 172 V N -3.380 116.403 119.914 -0.219 0.000 3.528 172 V HA 0.191 4.311 4.120 -0.000 0.000 0.294 172 V C 0.168 176.071 176.094 -0.318 0.000 1.404 172 V CA -0.276 61.887 62.300 -0.229 0.000 1.065 172 V CB 0.339 32.030 31.823 -0.220 0.000 0.904 172 V HN -0.050 nan 8.190 nan 0.000 0.435 173 Q N 0.612 120.147 119.800 -0.440 0.000 2.463 173 Q HA -0.190 4.150 4.340 -0.000 0.000 0.299 173 Q C -0.266 175.329 176.000 -0.675 0.000 1.353 173 Q CA 1.202 56.700 55.803 -0.509 0.000 0.828 173 Q CB -1.596 27.101 28.738 -0.069 0.000 1.157 173 Q HN 0.869 nan 8.270 nan 0.000 0.436 174 K N -0.264 119.567 120.400 -0.949 0.000 2.435 174 K HA 0.539 4.859 4.320 -0.000 0.000 0.251 174 K C -0.782 175.515 176.600 -0.505 0.000 0.954 174 K CA -0.783 55.120 56.287 -0.640 0.000 0.820 174 K CB 1.228 33.371 32.500 -0.596 0.000 1.292 174 K HN -0.072 nan 8.250 nan 0.000 0.436 175 Y N 0.353 120.762 120.300 0.182 0.000 2.319 175 Y HA 0.202 4.752 4.550 -0.000 0.000 0.328 175 Y C 1.333 177.325 175.900 0.154 0.000 1.133 175 Y CA 0.065 58.285 58.100 0.199 0.000 1.265 175 Y CB 0.893 39.520 38.460 0.278 0.000 1.218 175 Y HN 0.721 nan 8.280 nan 0.000 0.508 176 G N 2.164 111.096 108.800 0.220 0.000 2.391 176 G HA2 0.059 4.019 3.960 -0.000 0.000 0.234 176 G HA3 0.059 4.019 3.960 -0.000 0.000 0.234 176 G C 0.452 175.451 174.900 0.165 0.000 1.284 176 G CA 0.283 45.473 45.100 0.149 0.000 0.873 176 G HN 0.958 nan 8.290 nan 0.000 0.549 177 N N -1.079 117.698 118.700 0.129 0.000 2.984 177 N HA -0.196 4.543 4.740 -0.000 0.000 0.227 177 N C 0.042 175.609 175.510 0.094 0.000 0.903 177 N CA 1.036 54.144 53.050 0.097 0.000 0.995 177 N CB -1.490 37.043 38.487 0.076 0.000 1.065 177 N HN 0.561 nan 8.380 nan 0.000 0.585 178 I N 1.031 121.681 120.570 0.134 0.000 2.353 178 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 178 I C 0.582 176.736 176.117 0.062 0.000 0.992 178 I CA -0.651 60.670 61.300 0.036 0.000 1.268 178 I CB 1.415 39.357 38.000 -0.097 0.000 1.387 178 I HN 0.093 nan 8.210 nan 0.000 0.478 179 E N 6.142 126.343 120.200 0.001 0.000 2.052 179 E HA 0.178 4.528 4.350 -0.000 0.000 0.283 179 E C -1.574 175.033 176.600 0.010 0.000 1.071 179 E CA -0.206 56.232 56.400 0.064 0.000 0.851 179 E CB 0.235 29.974 29.700 0.065 0.000 1.066 179 E HN 0.221 nan 8.360 nan 0.000 0.396 180 Y N 4.700 125.033 120.300 0.056 0.000 2.425 180 Y HA 0.234 4.784 4.550 -0.000 0.000 0.347 180 Y C 0.289 176.201 175.900 0.020 0.000 0.976 180 Y CA -0.506 57.623 58.100 0.049 0.000 1.190 180 Y CB 0.721 39.208 38.460 0.046 0.000 1.136 180 Y HN 0.376 nan 8.280 nan 0.000 0.517 181 M N 4.016 123.680 119.600 0.108 0.000 2.143 181 M HA 0.270 4.750 4.480 -0.000 0.000 0.348 181 M C 0.113 176.424 176.300 0.019 0.000 1.375 181 M CA -0.382 54.932 55.300 0.024 0.000 1.124 181 M CB 0.570 33.144 32.600 -0.044 0.000 1.669 181 M HN 0.450 nan 8.290 nan 0.000 0.469 182 R N 2.482 122.985 120.500 0.004 0.000 2.404 182 R HA 0.188 4.528 4.340 -0.000 0.000 0.315 182 R C -1.530 174.751 176.300 -0.032 0.000 1.032 182 R CA 0.302 56.403 56.100 0.002 0.000 0.992 182 R CB 0.046 30.342 30.300 -0.006 0.000 0.959 182 R HN 0.755 nan 8.270 nan 0.000 0.428 183 C N 4.076 123.373 119.300 -0.005 0.000 2.322 183 C HA 0.637 5.097 4.460 -0.000 0.000 0.324 183 C C -0.123 174.864 174.990 -0.006 0.000 1.249 183 C CA -0.612 58.413 59.018 0.011 0.000 1.453 183 C CB 0.697 28.481 27.740 0.073 0.000 2.145 183 C HN 0.932 nan 8.230 nan 0.000 0.466 184 T N 0.512 114.903 114.554 -0.272 0.000 2.901 184 T HA 0.505 4.854 4.350 -0.000 0.000 0.293 184 T C -2.401 171.556 174.700 -1.238 0.000 1.084 184 T CA -1.597 60.196 62.100 -0.511 0.000 1.008 184 T CB 1.898 70.613 68.868 -0.255 0.000 1.170 184 T HN 0.138 nan 8.240 nan 0.000 0.509 185 P HA -0.114 nan 4.420 nan 0.000 0.216 185 P C 1.124 178.100 177.300 -0.540 0.000 1.154 185 P CA 1.281 63.736 63.100 -1.075 0.000 0.865 185 P CB 0.060 31.415 31.700 -0.574 0.000 0.789 186 E N -0.527 119.467 120.200 -0.343 0.000 2.110 186 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 186 E C 1.299 177.805 176.600 -0.157 0.000 0.988 186 E CA 1.348 57.640 56.400 -0.179 0.000 0.804 186 E CB -0.947 28.682 29.700 -0.118 0.000 0.745 186 E HN 0.461 nan 8.360 nan 0.000 0.458 187 N N -0.696 117.882 118.700 -0.204 0.000 2.268 187 N HA 0.092 4.832 4.740 -0.000 0.000 0.204 187 N C 0.800 176.261 175.510 -0.082 0.000 1.124 187 N CA 0.601 53.588 53.050 -0.105 0.000 0.838 187 N CB 0.447 38.899 38.487 -0.059 0.000 0.994 187 N HN 0.113 nan 8.380 nan 0.000 0.489 188 G N -0.073 108.606 108.800 -0.201 0.000 2.198 188 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 188 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 188 G C 0.074 175.014 174.900 0.067 0.000 1.025 188 G CA 0.066 45.119 45.100 -0.077 0.000 0.769 188 G HN 0.351 nan 8.290 nan 0.000 0.507 189 F N -3.451 116.498 119.950 -0.001 0.000 3.057 189 F HA -0.162 4.365 4.527 -0.000 0.000 0.287 189 F C 0.574 176.417 175.800 0.070 0.000 0.834 189 F CA 1.143 59.121 58.000 -0.036 0.000 1.147 189 F CB -2.037 36.894 39.000 -0.116 0.000 1.245 189 F HN 0.574 nan 8.300 nan 0.000 0.509 190 F N 3.561 123.552 119.950 0.069 0.000 2.493 190 F HA 0.670 5.197 4.527 -0.000 0.000 0.329 190 F C -2.307 173.516 175.800 0.037 0.000 1.126 190 F CA -2.783 55.273 58.000 0.093 0.000 0.937 190 F CB 1.469 40.533 39.000 0.106 0.000 1.146 190 F HN -0.291 nan 8.300 nan 0.000 0.442 191 P HA 0.037 nan 4.420 nan 0.000 0.272 191 P C -1.025 176.081 177.300 -0.323 0.000 1.230 191 P CA -0.167 62.709 63.100 -0.372 0.000 0.788 191 P CB 0.834 32.303 31.700 -0.386 0.000 0.949 192 D N 1.862 122.168 120.400 -0.156 0.000 2.359 192 D HA 0.055 4.695 4.640 -0.000 0.000 0.250 192 D C 1.238 177.447 176.300 -0.151 0.000 1.264 192 D CA -0.030 53.916 54.000 -0.090 0.000 0.911 192 D CB -0.148 40.628 40.800 -0.039 0.000 1.056 192 D HN 0.213 nan 8.370 nan 0.000 0.499 193 L N 2.771 123.869 121.223 -0.207 0.000 2.353 193 L HA -0.168 4.172 4.340 -0.000 0.000 0.220 193 L C 2.363 179.162 176.870 -0.119 0.000 1.133 193 L CA 0.970 55.590 54.840 -0.366 0.000 0.798 193 L CB -0.388 41.357 42.059 -0.524 0.000 0.922 193 L HN 0.394 nan 8.230 nan 0.000 0.445 194 S N -1.509 114.181 115.700 -0.016 0.000 2.481 194 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 194 S C 1.831 176.459 174.600 0.047 0.000 0.996 194 S CA 1.141 59.373 58.200 0.052 0.000 0.942 194 S CB -0.553 62.673 63.200 0.043 0.000 0.768 194 S HN 0.557 nan 8.310 nan 0.000 0.520 195 T N -1.015 113.544 114.554 0.008 0.000 3.086 195 T HA 0.371 4.721 4.350 -0.000 0.000 0.250 195 T C 0.262 174.979 174.700 0.028 0.000 1.074 195 T CA -0.304 61.806 62.100 0.016 0.000 0.988 195 T CB -0.142 68.724 68.868 -0.003 0.000 0.988 195 T HN 0.143 nan 8.240 nan 0.000 0.530 196 V N 2.103 122.036 119.914 0.032 0.000 2.407 196 V HA 0.672 4.792 4.120 -0.000 0.000 0.278 196 V C 1.185 177.399 176.094 0.200 0.000 1.037 196 V CA -0.894 61.447 62.300 0.069 0.000 0.900 196 V CB 0.976 32.760 31.823 -0.064 0.000 0.983 196 V HN 0.560 nan 8.190 nan 0.000 0.459 197 G N 3.737 112.626 108.800 0.148 0.000 2.527 197 G HA2 0.276 4.236 3.960 -0.000 0.000 0.248 197 G HA3 0.276 4.236 3.960 -0.000 0.000 0.248 197 G C 0.050 175.036 174.900 0.144 0.000 1.231 197 G CA -0.448 44.728 45.100 0.127 0.000 0.838 197 G HN 0.599 nan 8.290 nan 0.000 0.570 198 R N 0.133 120.668 120.500 0.059 0.000 2.537 198 R HA 0.236 4.576 4.340 -0.000 0.000 0.280 198 R C 0.183 176.482 176.300 -0.002 0.000 1.058 198 R CA 0.554 56.642 56.100 -0.021 0.000 1.057 198 R CB 0.147 30.397 30.300 -0.083 0.000 0.973 198 R HN 0.722 nan 8.270 nan 0.000 0.438 199 T N -0.889 113.655 114.554 -0.017 0.000 2.865 199 T HA 0.249 4.598 4.350 -0.000 0.000 0.294 199 T C 0.424 175.084 174.700 -0.066 0.000 1.119 199 T CA -0.945 61.142 62.100 -0.021 0.000 1.007 199 T CB 1.548 70.419 68.868 0.005 0.000 1.225 199 T HN 0.416 nan 8.240 nan 0.000 0.515 200 D N 0.011 120.360 120.400 -0.084 0.000 2.103 200 D HA 0.076 4.716 4.640 -0.000 0.000 0.199 200 D C 0.652 176.824 176.300 -0.213 0.000 0.978 200 D CA 1.207 55.129 54.000 -0.131 0.000 0.829 200 D CB 0.172 40.892 40.800 -0.133 0.000 0.981 200 D HN 0.412 nan 8.370 nan 0.000 0.464 201 I N 1.056 121.478 120.570 -0.248 0.000 2.530 201 I HA 0.358 4.528 4.170 -0.000 0.000 0.297 201 I C -0.048 175.929 176.117 -0.234 0.000 1.011 201 I CA -0.734 60.335 61.300 -0.386 0.000 1.107 201 I CB 2.011 39.634 38.000 -0.627 0.000 1.285 201 I HN -0.197 nan 8.210 nan 0.000 0.436 202 I N 5.286 125.704 120.570 -0.253 0.000 2.411 202 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 202 I C -0.791 175.205 176.117 -0.200 0.000 1.012 202 I CA -0.411 60.832 61.300 -0.095 0.000 1.119 202 I CB 1.163 39.186 38.000 0.039 0.000 1.261 202 I HN 0.240 nan 8.210 nan 0.000 0.448 203 F N 6.400 126.290 119.950 -0.101 0.000 2.445 203 F HA 0.361 4.888 4.527 -0.000 0.000 0.359 203 F C -0.200 175.519 175.800 -0.136 0.000 1.101 203 F CA -0.120 57.716 58.000 -0.272 0.000 1.177 203 F CB 0.633 39.250 39.000 -0.637 0.000 1.110 203 F HN 0.278 nan 8.300 nan 0.000 0.522 204 F N 4.269 124.154 119.950 -0.108 0.000 2.579 204 F HA 0.446 4.972 4.527 -0.000 0.000 0.325 204 F C -0.988 174.718 175.800 -0.158 0.000 1.162 204 F CA -1.091 56.881 58.000 -0.047 0.000 0.946 204 F CB 0.880 39.915 39.000 0.059 0.000 1.211 204 F HN 0.458 nan 8.300 nan 0.000 0.447 205 C N 4.755 123.822 119.300 -0.388 0.000 2.303 205 C HA 0.830 5.290 4.460 -0.000 0.000 0.326 205 C C -0.505 174.266 174.990 -0.364 0.000 1.285 205 C CA -0.075 58.770 59.018 -0.288 0.000 1.675 205 C CB -0.049 27.662 27.740 -0.048 0.000 2.289 205 C HN 0.800 nan 8.230 nan 0.000 0.512 206 S N 6.578 122.098 115.700 -0.300 0.000 2.649 206 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 206 S C -2.963 171.632 174.600 -0.008 0.000 1.176 206 S CA -0.666 57.488 58.200 -0.077 0.000 0.988 206 S CB 1.537 64.860 63.200 0.204 0.000 1.071 206 S HN 0.654 nan 8.310 nan 0.000 0.478 207 P HA 0.064 nan 4.420 nan 0.000 0.265 207 P C -0.528 176.753 177.300 -0.033 0.000 1.193 207 P CA -0.062 63.048 63.100 0.018 0.000 0.765 207 P CB 0.317 32.028 31.700 0.018 0.000 0.823 208 N N 3.209 121.831 118.700 -0.130 0.000 2.518 208 N HA -0.004 4.736 4.740 -0.000 0.000 0.266 208 N C -0.516 174.868 175.510 -0.209 0.000 1.196 208 N CA -0.007 52.915 53.050 -0.214 0.000 0.947 208 N CB 0.199 38.485 38.487 -0.336 0.000 1.098 208 N HN 0.255 nan 8.380 nan 0.000 0.450 209 N N 3.612 122.168 118.700 -0.240 0.000 2.444 209 N HA 0.340 5.080 4.740 -0.000 0.000 0.262 209 N C -2.174 172.947 175.510 -0.647 0.000 0.974 209 N CA -2.098 50.652 53.050 -0.499 0.000 0.933 209 N CB 1.608 39.911 38.487 -0.306 0.000 1.137 209 N HN 0.409 nan 8.380 nan 0.000 0.498 210 P HA 0.129 nan 4.420 nan 0.000 0.275 210 P C 0.652 177.178 177.300 -1.290 0.000 1.310 210 P CA 0.254 62.442 63.100 -1.521 0.000 0.904 210 P CB 0.287 30.600 31.700 -2.312 0.000 1.381 211 T N -4.488 109.287 114.554 -1.299 0.000 3.055 211 T HA 0.191 4.541 4.350 -0.000 0.000 0.265 211 T C 1.714 176.012 174.700 -0.670 0.000 1.111 211 T CA 1.183 62.440 62.100 -1.406 0.000 1.118 211 T CB -1.157 66.684 68.868 -1.712 0.000 0.909 211 T HN 0.176 nan 8.240 nan 0.000 0.501 212 G N 1.413 110.000 108.800 -0.355 0.000 2.184 212 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.264 212 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.264 212 G C 0.340 175.101 174.900 -0.232 0.000 0.975 212 G CA 0.062 44.989 45.100 -0.289 0.000 0.642 212 G HN 1.308 nan 8.290 nan 0.000 0.536 213 A N 0.144 122.808 122.820 -0.261 0.000 2.492 213 A HA 0.736 5.056 4.320 -0.000 0.000 0.254 213 A C 0.731 178.303 177.584 -0.020 0.000 1.091 213 A CA 1.109 53.091 52.037 -0.091 0.000 0.768 213 A CB 0.488 19.475 19.000 -0.021 0.000 1.028 213 A HN 2.061 nan 8.150 nan 0.000 0.498 214 A N 2.712 125.556 122.820 0.040 0.000 2.271 214 A HA 0.676 4.996 4.320 -0.000 0.000 0.317 214 A C 0.588 178.251 177.584 0.131 0.000 1.245 214 A CA 0.062 52.153 52.037 0.090 0.000 0.857 214 A CB 0.346 19.393 19.000 0.079 0.000 1.175 214 A HN 2.067 nan 8.150 nan 0.000 0.512 215 A N 2.674 125.624 122.820 0.216 0.000 2.498 215 A HA 0.518 4.838 4.320 -0.000 0.000 0.239 215 A C 1.069 178.686 177.584 0.056 0.000 1.068 215 A CA 0.550 52.689 52.037 0.169 0.000 0.766 215 A CB -0.367 18.834 19.000 0.334 0.000 1.003 215 A HN 1.507 nan 8.150 nan 0.000 0.497 216 T N -0.116 114.404 114.554 -0.057 0.000 2.754 216 T HA 0.264 4.613 4.350 -0.000 0.000 0.286 216 T C 1.245 175.900 174.700 -0.074 0.000 0.997 216 T CA 0.038 62.104 62.100 -0.056 0.000 0.982 216 T CB 0.621 69.439 68.868 -0.083 0.000 1.027 216 T HN 0.708 nan 8.240 nan 0.000 0.529 217 R N 0.125 120.595 120.500 -0.050 0.000 2.096 217 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 217 R C 2.034 178.285 176.300 -0.082 0.000 1.127 217 R CA 1.660 57.729 56.100 -0.051 0.000 0.968 217 R CB -0.316 29.967 30.300 -0.028 0.000 0.861 217 R HN 0.756 nan 8.270 nan 0.000 0.440 218 E N 0.527 120.670 120.200 -0.095 0.000 2.051 218 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 218 E C 2.053 178.548 176.600 -0.175 0.000 0.991 218 E CA 1.436 57.771 56.400 -0.107 0.000 0.799 218 E CB -0.142 29.503 29.700 -0.093 0.000 0.748 218 E HN 0.441 nan 8.360 nan 0.000 0.449 219 Q N -0.012 119.603 119.800 -0.307 0.000 2.084 219 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 219 Q C 2.268 178.059 176.000 -0.348 0.000 0.978 219 Q CA 1.037 56.471 55.803 -0.615 0.000 0.844 219 Q CB -0.169 27.885 28.738 -1.140 0.000 0.898 219 Q HN 0.274 nan 8.270 nan 0.000 0.426 220 L N -0.031 121.062 121.223 -0.218 0.000 2.083 220 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 220 L C 2.364 179.161 176.870 -0.121 0.000 1.083 220 L CA 1.081 55.826 54.840 -0.159 0.000 0.752 220 L CB -0.608 41.373 42.059 -0.128 0.000 0.899 220 L HN 0.264 nan 8.230 nan 0.000 0.433 221 T N -0.894 113.603 114.554 -0.095 0.000 2.746 221 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 221 T C 1.909 176.595 174.700 -0.023 0.000 1.039 221 T CA 1.301 63.367 62.100 -0.055 0.000 1.142 221 T CB -0.152 68.689 68.868 -0.045 0.000 0.866 221 T HN 0.385 nan 8.240 nan 0.000 0.444 222 Q N 0.074 119.865 119.800 -0.015 0.000 2.084 222 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 222 Q C 2.366 178.421 176.000 0.092 0.000 0.978 222 Q CA 1.116 56.953 55.803 0.056 0.000 0.844 222 Q CB -0.353 28.444 28.738 0.098 0.000 0.898 222 Q HN 0.336 nan 8.270 nan 0.000 0.426 223 L N 0.104 121.361 121.223 0.056 0.000 2.017 223 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 223 L C 2.123 179.015 176.870 0.036 0.000 1.073 223 L CA 1.416 56.258 54.840 0.003 0.000 0.745 223 L CB -0.399 41.535 42.059 -0.208 0.000 0.894 223 L HN -0.010 nan 8.230 nan 0.000 0.432 224 V N -0.313 119.588 119.914 -0.022 0.000 2.343 224 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 224 V C 2.494 178.603 176.094 0.025 0.000 1.051 224 V CA 2.039 64.328 62.300 -0.019 0.000 1.036 224 V CB -0.638 31.153 31.823 -0.052 0.000 0.654 224 V HN 0.503 nan 8.190 nan 0.000 0.451 225 E N -0.665 119.562 120.200 0.045 0.000 2.085 225 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 225 E C 2.017 178.671 176.600 0.090 0.000 0.994 225 E CA 1.670 58.102 56.400 0.054 0.000 0.801 225 E CB -0.235 29.499 29.700 0.056 0.000 0.743 225 E HN 0.644 nan 8.360 nan 0.000 0.453 226 F N 1.355 121.290 119.950 -0.024 0.000 2.102 226 F HA -0.172 4.354 4.527 -0.000 0.000 0.298 226 F C 2.231 178.010 175.800 -0.035 0.000 1.105 226 F CA 1.493 59.480 58.000 -0.023 0.000 1.239 226 F CB -0.343 38.646 39.000 -0.019 0.000 0.991 226 F HN -0.052 nan 8.300 nan 0.000 0.474 227 A N 0.204 123.057 122.820 0.056 0.000 1.908 227 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 227 A C 2.295 179.809 177.584 -0.117 0.000 1.181 227 A CA 2.038 54.030 52.037 -0.074 0.000 0.627 227 A CB -0.924 18.071 19.000 -0.008 0.000 0.818 227 A HN 0.495 nan 8.150 nan 0.000 0.445 228 K N 0.333 120.693 120.400 -0.068 0.000 2.026 228 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 228 K C 2.124 178.670 176.600 -0.089 0.000 1.048 228 K CA 1.936 58.185 56.287 -0.063 0.000 0.929 228 K CB -0.182 32.298 32.500 -0.033 0.000 0.713 228 K HN 0.608 nan 8.250 nan 0.000 0.439 229 K N -0.196 120.138 120.400 -0.110 0.000 2.097 229 K HA -0.087 4.232 4.320 -0.000 0.000 0.206 229 K C 1.412 177.906 176.600 -0.176 0.000 1.049 229 K CA 1.867 58.080 56.287 -0.124 0.000 0.933 229 K CB -0.126 32.310 32.500 -0.106 0.000 0.717 229 K HN 0.018 nan 8.250 nan 0.000 0.442 230 N N 0.355 118.886 118.700 -0.282 0.000 2.412 230 N HA 0.073 4.813 4.740 -0.000 0.000 0.184 230 N C 0.359 175.759 175.510 -0.183 0.000 1.101 230 N CA 0.977 53.851 53.050 -0.293 0.000 0.881 230 N CB 0.675 38.850 38.487 -0.519 0.000 0.969 230 N HN 0.545 nan 8.380 nan 0.000 0.459 231 G N 0.220 108.936 108.800 -0.139 0.000 2.273 231 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.280 231 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.280 231 G C -0.191 174.653 174.900 -0.093 0.000 1.047 231 G CA 0.514 45.560 45.100 -0.089 0.000 0.869 231 G HN 0.305 nan 8.290 nan 0.000 0.502 232 S N -1.010 114.618 115.700 -0.120 0.000 2.687 232 S HA 0.757 5.227 4.470 -0.000 0.000 0.283 232 S C 0.460 174.991 174.600 -0.114 0.000 1.170 232 S CA -0.586 57.541 58.200 -0.121 0.000 1.008 232 S CB 1.628 64.754 63.200 -0.123 0.000 1.026 232 S HN 0.375 nan 8.310 nan 0.000 0.541 233 I N 1.814 122.289 120.570 -0.157 0.000 2.339 233 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 233 I C -0.719 175.283 176.117 -0.193 0.000 0.994 233 I CA -0.404 60.798 61.300 -0.164 0.000 1.191 233 I CB 0.980 38.862 38.000 -0.196 0.000 1.343 233 I HN 0.418 nan 8.210 nan 0.000 0.458 234 I N 6.755 127.247 120.570 -0.131 0.000 2.371 234 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 234 I C -0.222 175.811 176.117 -0.140 0.000 1.028 234 I CA -0.574 60.653 61.300 -0.122 0.000 1.345 234 I CB 1.313 39.273 38.000 -0.066 0.000 1.407 234 I HN 0.207 nan 8.210 nan 0.000 0.501 235 V N 7.510 127.279 119.914 -0.242 0.000 2.304 235 V HA 0.135 4.255 4.120 -0.000 0.000 0.269 235 V C -0.574 175.495 176.094 -0.041 0.000 1.036 235 V CA -0.585 61.590 62.300 -0.210 0.000 0.840 235 V CB 0.435 31.952 31.823 -0.511 0.000 1.036 235 V HN 0.440 nan 8.190 nan 0.000 0.466 236 Y N 3.888 124.125 120.300 -0.105 0.000 2.367 236 Y HA 0.431 4.981 4.550 -0.000 0.000 0.342 236 Y C 0.205 176.091 175.900 -0.023 0.000 0.979 236 Y CA -0.691 57.390 58.100 -0.031 0.000 1.161 236 Y CB 1.016 39.417 38.460 -0.098 0.000 1.155 236 Y HN 0.632 nan 8.280 nan 0.000 0.503 237 D N 3.632 123.861 120.400 -0.285 0.000 2.412 237 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 237 D C -0.105 175.994 176.300 -0.336 0.000 1.093 237 D CA -0.097 53.777 54.000 -0.210 0.000 0.850 237 D CB 0.930 41.715 40.800 -0.026 0.000 1.046 237 D HN 0.571 nan 8.370 nan 0.000 0.507 238 S N 2.088 117.648 115.700 -0.232 0.000 2.561 238 S HA 0.302 4.772 4.470 -0.000 0.000 0.245 238 S C 1.529 176.045 174.600 -0.139 0.000 1.001 238 S CA -0.086 58.039 58.200 -0.125 0.000 1.002 238 S CB 0.647 63.906 63.200 0.098 0.000 0.805 238 S HN 0.366 nan 8.310 nan 0.000 0.458 239 A N 0.759 123.405 122.820 -0.290 0.000 2.076 239 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 239 A C 1.197 178.419 177.584 -0.603 0.000 1.160 239 A CA 1.050 52.758 52.037 -0.548 0.000 0.653 239 A CB -0.726 17.871 19.000 -0.671 0.000 0.801 239 A HN 0.695 nan 8.150 nan 0.000 0.455 240 Y N -1.598 118.729 120.300 0.045 0.000 2.531 240 Y HA 0.452 5.002 4.550 -0.000 0.000 0.249 240 Y C 2.187 178.309 175.900 0.371 0.000 1.168 240 Y CA -0.321 57.925 58.100 0.244 0.000 1.226 240 Y CB -0.262 38.230 38.460 0.054 0.000 1.177 240 Y HN 0.268 nan 8.280 nan 0.000 0.527 241 A N 0.207 123.256 122.820 0.381 0.000 1.978 241 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 241 A C 2.044 179.765 177.584 0.229 0.000 1.170 241 A CA 1.504 53.711 52.037 0.282 0.000 0.636 241 A CB -0.526 18.605 19.000 0.218 0.000 0.810 241 A HN 0.454 nan 8.150 nan 0.000 0.448 242 M N -1.694 117.999 119.600 0.155 0.000 2.700 242 M HA -0.071 4.409 4.480 -0.000 0.000 0.249 242 M C 0.848 177.087 176.300 -0.101 0.000 1.082 242 M CA 0.845 56.060 55.300 -0.142 0.000 1.077 242 M CB -0.213 31.947 32.600 -0.735 0.000 1.477 242 M HN 0.555 nan 8.290 nan 0.000 0.529 243 Y N -0.772 119.617 120.300 0.147 0.000 2.490 243 Y HA 0.135 4.685 4.550 -0.000 0.000 0.281 243 Y C 0.855 176.792 175.900 0.061 0.000 1.174 243 Y CA -0.300 57.871 58.100 0.118 0.000 1.295 243 Y CB -0.139 38.405 38.460 0.141 0.000 1.062 243 Y HN 0.143 nan 8.280 nan 0.000 0.522 244 M N -0.203 119.499 119.600 0.170 0.000 2.284 244 M HA -0.071 4.409 4.480 -0.000 0.000 0.351 244 M C 1.038 177.387 176.300 0.081 0.000 1.443 244 M CA 0.755 56.125 55.300 0.116 0.000 1.031 244 M CB 0.556 33.220 32.600 0.107 0.000 1.893 244 M HN 0.010 nan 8.290 nan 0.000 0.456 245 S N 1.486 117.227 115.700 0.068 0.000 2.566 245 S HA 0.152 4.622 4.470 -0.000 0.000 0.234 245 S C -0.068 174.560 174.600 0.046 0.000 1.075 245 S CA -0.252 57.980 58.200 0.053 0.000 0.926 245 S CB 0.215 63.442 63.200 0.045 0.000 0.811 245 S HN 0.731 nan 8.310 nan 0.000 0.518 246 D N 2.536 122.963 120.400 0.045 0.000 2.378 246 D HA 0.083 4.723 4.640 -0.000 0.000 0.238 246 D C -0.279 176.047 176.300 0.043 0.000 1.180 246 D CA 0.242 54.266 54.000 0.041 0.000 0.895 246 D CB 0.315 41.140 40.800 0.041 0.000 1.192 246 D HN 0.042 nan 8.370 nan 0.000 0.438 247 D N 1.139 121.560 120.400 0.035 0.000 2.608 247 D HA 0.051 4.691 4.640 -0.000 0.000 0.224 247 D C -0.797 175.523 176.300 0.034 0.000 1.123 247 D CA -0.119 53.901 54.000 0.033 0.000 1.030 247 D CB -0.862 39.952 40.800 0.024 0.000 1.093 247 D HN 0.228 nan 8.370 nan 0.000 0.497 248 N N 1.620 120.349 118.700 0.048 0.000 2.362 248 N HA 0.469 5.209 4.740 -0.000 0.000 0.299 248 N C -2.554 172.997 175.510 0.068 0.000 1.170 248 N CA -1.804 51.278 53.050 0.053 0.000 0.825 248 N CB 1.514 40.042 38.487 0.068 0.000 1.299 248 N HN 0.057 nan 8.380 nan 0.000 0.502 249 P HA 0.084 nan 4.420 nan 0.000 0.266 249 P C -0.186 177.190 177.300 0.127 0.000 1.195 249 P CA 0.130 63.274 63.100 0.073 0.000 0.768 249 P CB 0.810 32.531 31.700 0.035 0.000 0.838 250 R N 0.298 120.879 120.500 0.136 0.000 2.265 250 R HA 0.177 4.517 4.340 -0.000 0.000 0.194 250 R C 0.641 177.091 176.300 0.250 0.000 0.931 250 R CA 0.378 56.592 56.100 0.190 0.000 1.032 250 R CB 0.357 30.751 30.300 0.156 0.000 0.980 250 R HN 0.398 nan 8.270 nan 0.000 0.497 251 S N -0.224 115.580 115.700 0.172 0.000 2.526 251 S HA 0.206 4.676 4.470 -0.000 0.000 0.293 251 S C 0.542 175.009 174.600 -0.222 0.000 1.092 251 S CA -0.707 57.570 58.200 0.129 0.000 0.980 251 S CB 1.563 64.969 63.200 0.343 0.000 1.048 251 S HN 0.086 nan 8.310 nan 0.000 0.483 252 I N 3.966 124.058 120.570 -0.797 0.000 2.423 252 I HA 0.015 4.185 4.170 -0.000 0.000 0.254 252 I C 0.932 176.727 176.117 -0.536 0.000 1.151 252 I CA 1.523 62.230 61.300 -0.988 0.000 1.421 252 I CB -0.413 36.757 38.000 -1.382 0.000 1.079 252 I HN 0.740 nan 8.210 nan 0.000 0.431 253 F N 0.645 120.547 119.950 -0.080 0.000 2.699 253 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 253 F C 2.212 178.016 175.800 0.005 0.000 1.154 253 F CA 0.533 58.525 58.000 -0.015 0.000 1.457 253 F CB -0.991 38.039 39.000 0.050 0.000 1.106 253 F HN 0.191 nan 8.300 nan 0.000 0.585 254 E N 0.118 120.385 120.200 0.112 0.000 2.338 254 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 254 E C 0.339 176.954 176.600 0.025 0.000 1.007 254 E CA 0.380 56.824 56.400 0.072 0.000 0.849 254 E CB 0.113 29.841 29.700 0.048 0.000 0.774 254 E HN 0.167 nan 8.360 nan 0.000 0.506 255 I N 2.641 123.203 120.570 -0.014 0.000 2.312 255 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 255 I C -2.305 173.816 176.117 0.006 0.000 1.031 255 I CA -3.308 57.976 61.300 -0.027 0.000 1.293 255 I CB 0.044 37.996 38.000 -0.079 0.000 1.403 255 I HN -0.307 nan 8.210 nan 0.000 0.484 256 P HA 0.176 nan 4.420 nan 0.000 0.265 256 P C 0.978 178.286 177.300 0.013 0.000 1.193 256 P CA 0.685 63.797 63.100 0.019 0.000 0.765 256 P CB 0.669 32.376 31.700 0.011 0.000 0.823 257 G N 2.641 111.454 108.800 0.022 0.000 2.241 257 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.244 257 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.244 257 G C 1.248 176.162 174.900 0.023 0.000 0.998 257 G CA 0.467 45.576 45.100 0.015 0.000 0.621 257 G HN 0.663 nan 8.290 nan 0.000 0.519 258 A N 1.206 124.048 122.820 0.036 0.000 1.986 258 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 258 A C 2.121 179.793 177.584 0.147 0.000 1.171 258 A CA 2.400 54.464 52.037 0.045 0.000 0.640 258 A CB -0.429 18.578 19.000 0.011 0.000 0.811 258 A HN 1.067 nan 8.150 nan 0.000 0.451 259 E N 0.529 120.827 120.200 0.163 0.000 2.338 259 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 259 E C 1.091 177.721 176.600 0.051 0.000 1.007 259 E CA 1.446 57.916 56.400 0.117 0.000 0.849 259 E CB -0.407 29.302 29.700 0.015 0.000 0.774 259 E HN 0.786 nan 8.360 nan 0.000 0.506 260 E N 0.337 120.556 120.200 0.032 0.000 2.447 260 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 260 E C 1.464 178.059 176.600 -0.008 0.000 1.028 260 E CA 0.739 57.141 56.400 0.002 0.000 0.876 260 E CB 0.872 30.569 29.700 -0.005 0.000 0.885 260 E HN 0.303 nan 8.360 nan 0.000 0.500 261 V N -4.170 115.745 119.914 0.002 0.000 3.432 261 V HA 0.581 4.701 4.120 -0.000 0.000 0.290 261 V C 0.048 176.124 176.094 -0.030 0.000 1.591 261 V CA -0.155 62.130 62.300 -0.025 0.000 1.069 261 V CB 0.644 32.445 31.823 -0.037 0.000 0.892 261 V HN 0.029 nan 8.190 nan 0.000 0.436 262 A N 2.005 124.833 122.820 0.015 0.000 2.515 262 A HA 0.977 5.296 4.320 -0.000 0.000 0.298 262 A C -0.724 176.921 177.584 0.101 0.000 1.059 262 A CA -0.524 51.507 52.037 -0.011 0.000 0.698 262 A CB 2.073 20.987 19.000 -0.144 0.000 1.289 262 A HN 0.810 nan 8.150 nan 0.000 0.404 263 M N 0.133 119.756 119.600 0.039 0.000 2.727 263 M HA 0.880 5.359 4.480 -0.000 0.000 0.300 263 M C -0.674 175.649 176.300 0.038 0.000 1.246 263 M CA -0.507 54.868 55.300 0.125 0.000 0.835 263 M CB 2.069 34.677 32.600 0.013 0.000 1.755 263 M HN 0.691 nan 8.290 nan 0.000 0.473 264 E N 0.378 120.648 120.200 0.117 0.000 2.293 264 E HA 0.524 4.873 4.350 -0.000 0.000 0.270 264 E C -1.809 174.816 176.600 0.040 0.000 0.879 264 E CA -0.558 55.903 56.400 0.101 0.000 0.756 264 E CB 2.578 32.371 29.700 0.155 0.000 1.208 264 E HN 0.814 nan 8.360 nan 0.000 0.428 265 T N 1.829 116.351 114.554 -0.054 0.000 2.861 265 T HA 0.843 5.193 4.350 -0.000 0.000 0.287 265 T C -1.268 173.191 174.700 -0.402 0.000 1.003 265 T CA 0.009 61.982 62.100 -0.213 0.000 0.977 265 T CB 1.296 70.084 68.868 -0.132 0.000 0.996 265 T HN 0.611 nan 8.240 nan 0.000 0.448 266 A N 2.695 125.031 122.820 -0.808 0.000 2.529 266 A HA 0.942 5.262 4.320 -0.000 0.000 0.296 266 A C -0.716 176.174 177.584 -1.155 0.000 1.205 266 A CA -0.664 50.738 52.037 -1.058 0.000 0.671 266 A CB 1.460 19.634 19.000 -1.377 0.000 1.301 266 A HN 1.024 nan 8.150 nan 0.000 0.450 267 S N -2.094 112.952 115.700 -1.089 0.000 2.565 267 S HA 0.614 5.084 4.470 -0.000 0.000 0.269 267 S C -1.026 173.231 174.600 -0.573 0.000 1.153 267 S CA -0.409 57.425 58.200 -0.611 0.000 0.835 267 S CB 0.633 63.580 63.200 -0.421 0.000 1.122 267 S HN 0.696 nan 8.310 nan 0.000 0.462 268 F N 1.690 121.617 119.950 -0.039 0.000 2.797 268 F HA 0.185 4.712 4.527 -0.000 0.000 0.302 268 F C 2.402 178.138 175.800 -0.107 0.000 1.130 268 F CA 0.250 58.217 58.000 -0.055 0.000 1.387 268 F CB 0.022 38.941 39.000 -0.135 0.000 1.107 268 F HN 0.498 nan 8.300 nan 0.000 0.577 269 S N 0.467 116.174 115.700 0.011 0.000 2.359 269 S HA -0.217 4.253 4.470 -0.000 0.000 0.223 269 S C 1.766 176.349 174.600 -0.028 0.000 1.039 269 S CA 1.669 59.886 58.200 0.028 0.000 1.042 269 S CB -0.283 62.877 63.200 -0.067 0.000 0.915 269 S HN 0.434 nan 8.310 nan 0.000 0.439 270 N N -0.349 118.238 118.700 -0.188 0.000 2.398 270 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 270 N C 0.523 176.276 175.510 0.406 0.000 1.122 270 N CA 0.477 53.552 53.050 0.042 0.000 0.866 270 N CB 0.071 38.572 38.487 0.023 0.000 0.970 270 N HN 0.436 nan 8.380 nan 0.000 0.462 271 Y N 0.101 120.530 120.300 0.216 0.000 2.500 271 Y HA 0.390 4.939 4.550 -0.000 0.000 0.284 271 Y C 1.896 177.905 175.900 0.182 0.000 1.118 271 Y CA -0.446 57.774 58.100 0.201 0.000 1.241 271 Y CB -0.245 38.309 38.460 0.157 0.000 1.171 271 Y HN -0.049 nan 8.280 nan 0.000 0.540 272 A N -0.940 122.060 122.820 0.301 0.000 2.508 272 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 272 A C 1.591 179.347 177.584 0.288 0.000 1.226 272 A CA 0.371 52.516 52.037 0.179 0.000 0.947 272 A CB -0.547 18.345 19.000 -0.179 0.000 1.079 272 A HN 0.486 nan 8.150 nan 0.000 0.531 273 G N -0.975 107.991 108.800 0.277 0.000 2.221 273 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.265 273 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.265 273 G C 0.139 175.247 174.900 0.346 0.000 1.041 273 G CA 0.347 45.591 45.100 0.240 0.000 0.807 273 G HN 0.349 nan 8.290 nan 0.000 0.502 274 F N 1.580 121.583 119.950 0.089 0.000 2.725 274 F HA 0.129 4.656 4.527 -0.000 0.000 0.303 274 F C 2.620 178.449 175.800 0.049 0.000 1.167 274 F CA 0.776 58.828 58.000 0.086 0.000 1.403 274 F CB -0.527 38.565 39.000 0.154 0.000 1.077 274 F HN 0.339 nan 8.300 nan 0.000 0.537 275 T N -3.453 111.192 114.554 0.151 0.000 2.803 275 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 275 T C 2.289 177.016 174.700 0.044 0.000 1.052 275 T CA 1.490 63.628 62.100 0.064 0.000 1.136 275 T CB -0.584 68.291 68.868 0.012 0.000 0.864 275 T HN 0.332 nan 8.240 nan 0.000 0.467 276 G N -0.124 108.690 108.800 0.024 0.000 2.921 276 G HA2 0.260 4.220 3.960 -0.000 0.000 0.213 276 G HA3 0.260 4.220 3.960 -0.000 0.000 0.213 276 G C 1.425 176.293 174.900 -0.053 0.000 1.143 276 G CA 0.261 45.358 45.100 -0.006 0.000 0.764 276 G HN 0.471 nan 8.290 nan 0.000 0.542 277 V N 0.101 119.939 119.914 -0.127 0.000 2.535 277 V HA 0.139 4.259 4.120 -0.000 0.000 0.246 277 V C 0.810 176.822 176.094 -0.137 0.000 1.045 277 V CA 0.326 62.452 62.300 -0.291 0.000 1.058 277 V CB -0.481 30.803 31.823 -0.898 0.000 0.689 277 V HN 0.407 nan 8.190 nan 0.000 0.461 278 R N 0.387 120.897 120.500 0.016 0.000 2.318 278 R HA -0.064 4.276 4.340 -0.000 0.000 0.352 278 R C -1.161 175.278 176.300 0.231 0.000 1.046 278 R CA 0.238 56.413 56.100 0.125 0.000 0.745 278 R CB -1.774 28.582 30.300 0.093 0.000 2.292 278 R HN 0.302 nan 8.270 nan 0.000 0.475 279 L N 0.842 122.286 121.223 0.368 0.000 2.710 279 L HA 0.709 5.049 4.340 -0.000 0.000 0.262 279 L C 0.157 177.347 176.870 0.533 0.000 0.940 279 L CA 0.466 55.591 54.840 0.474 0.000 0.944 279 L CB 1.988 44.390 42.059 0.571 0.000 1.348 279 L HN 0.716 nan 8.230 nan 0.000 0.425 280 G N 3.013 112.072 108.800 0.431 0.000 3.021 280 G HA2 0.784 4.744 3.960 -0.000 0.000 0.290 280 G HA3 0.784 4.744 3.960 -0.000 0.000 0.290 280 G C -2.086 173.124 174.900 0.517 0.000 1.291 280 G CA -0.216 45.078 45.100 0.324 0.000 0.834 280 G HN 0.711 nan 8.290 nan 0.000 0.564 281 W N -1.952 119.440 121.300 0.153 0.000 3.066 281 W HA 0.740 5.399 4.660 -0.000 0.000 0.330 281 W C -1.301 175.313 176.519 0.158 0.000 1.253 281 W CA -1.050 56.417 57.345 0.204 0.000 1.187 281 W CB 0.934 30.539 29.460 0.243 0.000 1.434 281 W HN 0.592 nan 8.180 nan 0.000 0.572 282 T N 1.842 116.619 114.554 0.371 0.000 2.876 282 T HA 0.609 4.959 4.350 -0.000 0.000 0.289 282 T C -1.325 173.614 174.700 0.399 0.000 1.014 282 T CA -0.625 61.590 62.100 0.192 0.000 0.986 282 T CB 1.843 70.665 68.868 -0.076 0.000 1.021 282 T HN 0.437 nan 8.240 nan 0.000 0.458 283 V N 4.019 124.108 119.914 0.292 0.000 2.417 283 V HA 0.578 4.698 4.120 -0.000 0.000 0.291 283 V C -0.508 175.693 176.094 0.178 0.000 1.024 283 V CA -0.730 61.710 62.300 0.234 0.000 0.861 283 V CB 1.309 33.172 31.823 0.066 0.000 0.985 283 V HN 0.762 nan 8.190 nan 0.000 0.436 284 I N 7.223 127.893 120.570 0.167 0.000 2.439 284 I HA 0.404 4.574 4.170 -0.000 0.000 0.283 284 I C -2.426 173.708 176.117 0.029 0.000 1.023 284 I CA -1.807 59.547 61.300 0.089 0.000 1.100 284 I CB 2.638 40.654 38.000 0.026 0.000 1.238 284 I HN 0.442 nan 8.210 nan 0.000 0.445 285 P HA 0.230 nan 4.420 nan 0.000 0.276 285 P C -0.020 177.236 177.300 -0.075 0.000 1.244 285 P CA -0.478 62.530 63.100 -0.154 0.000 0.801 285 P CB 1.415 32.977 31.700 -0.231 0.000 1.006 286 K N 0.664 121.013 120.400 -0.085 0.000 2.209 286 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 286 K C 1.592 178.156 176.600 -0.060 0.000 1.048 286 K CA 1.521 57.770 56.287 -0.062 0.000 0.940 286 K CB -0.149 32.312 32.500 -0.064 0.000 0.729 286 K HN 0.420 nan 8.250 nan 0.000 0.451 287 K N 0.482 120.848 120.400 -0.057 0.000 2.444 287 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 287 K C -0.241 176.335 176.600 -0.040 0.000 1.024 287 K CA -0.157 56.104 56.287 -0.043 0.000 1.077 287 K CB 0.236 32.716 32.500 -0.034 0.000 0.833 287 K HN -0.030 nan 8.250 nan 0.000 0.517 288 L N 2.288 123.483 121.223 -0.048 0.000 2.342 288 L HA 0.237 4.577 4.340 -0.000 0.000 0.285 288 L C -0.973 175.834 176.870 -0.105 0.000 1.095 288 L CA 0.175 54.977 54.840 -0.064 0.000 0.843 288 L CB 0.054 42.079 42.059 -0.056 0.000 1.201 288 L HN -0.035 nan 8.230 nan 0.000 0.445 289 L N 4.945 126.115 121.223 -0.090 0.000 2.381 289 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 289 L C -0.606 176.241 176.870 -0.037 0.000 0.997 289 L CA -1.027 53.778 54.840 -0.059 0.000 0.818 289 L CB 1.455 43.518 42.059 0.006 0.000 1.310 289 L HN 0.330 nan 8.230 nan 0.000 0.416 290 Y N 0.208 120.580 120.300 0.119 0.000 2.279 290 Y HA -0.067 4.483 4.550 -0.000 0.000 0.350 290 Y C 1.863 177.811 175.900 0.080 0.000 1.288 290 Y CA 0.444 58.612 58.100 0.113 0.000 1.547 290 Y CB 0.678 39.236 38.460 0.164 0.000 1.381 290 Y HN 0.729 nan 8.280 nan 0.000 0.630 291 S N -0.731 115.123 115.700 0.256 0.000 2.442 291 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 291 S C 0.912 175.581 174.600 0.115 0.000 1.007 291 S CA 1.298 59.577 58.200 0.132 0.000 0.965 291 S CB -0.491 62.761 63.200 0.086 0.000 0.773 291 S HN 0.781 nan 8.310 nan 0.000 0.504 292 D N -0.001 120.488 120.400 0.148 0.000 2.328 292 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 292 D C 1.384 177.780 176.300 0.160 0.000 1.072 292 D CA 0.499 54.575 54.000 0.126 0.000 0.850 292 D CB -0.542 40.318 40.800 0.099 0.000 0.922 292 D HN 0.561 nan 8.370 nan 0.000 0.516 293 G N -0.125 108.782 108.800 0.178 0.000 2.176 293 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 293 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 293 G C -0.071 174.936 174.900 0.179 0.000 0.979 293 G CA -0.044 45.142 45.100 0.143 0.000 0.641 293 G HN 0.401 nan 8.290 nan 0.000 0.530 294 F N 3.291 123.329 119.950 0.147 0.000 2.495 294 F HA 0.540 5.067 4.527 -0.000 0.000 0.365 294 F C -1.697 174.200 175.800 0.161 0.000 1.090 294 F CA -2.090 56.011 58.000 0.167 0.000 1.235 294 F CB 1.003 40.131 39.000 0.214 0.000 1.119 294 F HN -0.056 nan 8.300 nan 0.000 0.562 295 P HA 0.030 nan 4.420 nan 0.000 0.271 295 P C 0.703 177.934 177.300 -0.116 0.000 1.226 295 P CA 0.002 62.950 63.100 -0.253 0.000 0.765 295 P CB 1.079 32.607 31.700 -0.288 0.000 0.835 296 V N 3.653 123.491 119.914 -0.127 0.000 2.392 296 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 296 V C 2.414 178.531 176.094 0.037 0.000 1.059 296 V CA 2.680 64.897 62.300 -0.139 0.000 1.051 296 V CB -1.549 30.058 31.823 -0.359 0.000 0.658 296 V HN 0.634 nan 8.190 nan 0.000 0.455 297 A N -0.572 122.260 122.820 0.019 0.000 1.978 297 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 297 A C 2.330 180.027 177.584 0.189 0.000 1.170 297 A CA 2.088 54.198 52.037 0.122 0.000 0.636 297 A CB -0.444 18.679 19.000 0.205 0.000 0.810 297 A HN 0.545 nan 8.150 nan 0.000 0.448 298 K N -0.813 119.659 120.400 0.120 0.000 2.097 298 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 298 K C 1.404 178.179 176.600 0.293 0.000 1.050 298 K CA 1.322 57.701 56.287 0.154 0.000 0.938 298 K CB -0.161 32.302 32.500 -0.062 0.000 0.718 298 K HN 0.358 nan 8.250 nan 0.000 0.442 299 D N 0.132 120.784 120.400 0.420 0.000 2.144 299 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 299 D C 1.528 177.930 176.300 0.170 0.000 0.978 299 D CA 0.727 54.930 54.000 0.339 0.000 0.833 299 D CB -0.090 40.966 40.800 0.427 0.000 0.961 299 D HN 0.043 nan 8.370 nan 0.000 0.470 300 F N 1.629 121.549 119.950 -0.051 0.000 2.186 300 F HA -0.112 4.415 4.527 0.000 0.000 0.299 300 F C 1.941 177.627 175.800 -0.189 0.000 1.090 300 F CA 1.053 58.907 58.000 -0.245 0.000 1.307 300 F CB -0.281 38.405 39.000 -0.522 0.000 1.019 300 F HN -0.075 nan 8.300 nan 0.000 0.489 301 N N 0.428 119.111 118.700 -0.028 0.000 2.120 301 N HA -0.258 4.482 4.740 -0.000 0.000 0.188 301 N C 2.153 177.664 175.510 0.003 0.000 1.024 301 N CA 1.215 54.319 53.050 0.090 0.000 0.852 301 N CB -0.215 38.439 38.487 0.278 0.000 1.003 301 N HN 0.168 nan 8.380 nan 0.000 0.424 302 R N 1.202 121.717 120.500 0.026 0.000 2.073 302 R HA 0.021 4.361 4.340 -0.000 0.000 0.234 302 R C 2.247 178.516 176.300 -0.052 0.000 1.134 302 R CA 0.939 57.047 56.100 0.014 0.000 0.952 302 R CB -0.716 29.617 30.300 0.054 0.000 0.850 302 R HN 0.262 nan 8.270 nan 0.000 0.433 303 I N 1.272 121.770 120.570 -0.120 0.000 2.163 303 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 303 I C 2.275 178.272 176.117 -0.202 0.000 1.085 303 I CA 1.611 62.809 61.300 -0.171 0.000 1.347 303 I CB -1.056 36.810 38.000 -0.223 0.000 1.044 303 I HN 0.338 nan 8.210 nan 0.000 0.408 304 I N -1.789 118.581 120.570 -0.334 0.000 2.546 304 I HA -0.165 4.005 4.170 -0.000 0.000 0.255 304 I C 2.520 178.655 176.117 0.029 0.000 1.163 304 I CA 1.138 62.345 61.300 -0.155 0.000 1.457 304 I CB -0.886 36.986 38.000 -0.214 0.000 1.092 304 I HN 0.005 nan 8.210 nan 0.000 0.434 305 C N 1.115 120.409 119.300 -0.010 0.000 2.468 305 C HA 0.021 4.481 4.460 -0.000 0.000 0.277 305 C C 2.639 177.618 174.990 -0.017 0.000 1.400 305 C CA 1.386 60.403 59.018 -0.002 0.000 1.770 305 C CB -1.239 26.504 27.740 0.004 0.000 1.905 305 C HN 0.625 nan 8.230 nan 0.000 0.519 306 T N -1.620 112.926 114.554 -0.015 0.000 3.042 306 T HA -0.002 4.348 4.350 -0.000 0.000 0.245 306 T C 1.318 176.021 174.700 0.004 0.000 1.029 306 T CA 0.869 62.961 62.100 -0.014 0.000 1.120 306 T CB -0.059 68.799 68.868 -0.017 0.000 0.917 306 T HN 0.517 nan 8.240 nan 0.000 0.467 307 C N 1.100 120.414 119.300 0.023 0.000 3.038 307 C HA 0.598 5.058 4.460 -0.000 0.000 0.279 307 C C -0.103 174.986 174.990 0.164 0.000 1.276 307 C CA -1.024 58.027 59.018 0.054 0.000 1.697 307 C CB -1.250 26.499 27.740 0.014 0.000 2.032 307 C HN 0.450 nan 8.230 nan 0.000 0.636 308 F N 0.900 120.822 119.950 -0.047 0.000 2.645 308 F HA 0.489 5.016 4.527 0.000 0.000 0.310 308 F C -0.301 175.494 175.800 -0.009 0.000 1.102 308 F CA -0.900 57.088 58.000 -0.021 0.000 0.952 308 F CB 1.148 40.128 39.000 -0.033 0.000 1.326 308 F HN -0.251 nan 8.300 nan 0.000 0.456 309 N N 1.739 120.100 118.700 -0.564 0.000 2.238 309 N HA 0.404 5.144 4.740 -0.000 0.000 0.235 309 N C -0.373 174.774 175.510 -0.604 0.000 1.209 309 N CA 0.723 53.517 53.050 -0.426 0.000 0.879 309 N CB 1.047 39.449 38.487 -0.142 0.000 1.136 309 N HN 1.054 nan 8.380 nan 0.000 0.517 310 G N 0.155 108.130 108.800 -1.376 0.000 2.663 310 G HA2 0.111 4.071 3.960 -0.000 0.000 0.686 310 G HA3 0.111 4.071 3.960 -0.000 0.000 0.686 310 G C -0.411 174.142 174.900 -0.578 0.000 1.246 310 G CA -0.537 44.081 45.100 -0.803 0.000 0.795 310 G HN 0.341 nan 8.290 nan 0.000 0.627 311 A N 0.809 123.647 122.820 0.030 0.000 2.425 311 A HA 0.763 5.083 4.320 -0.000 0.000 0.242 311 A C 1.339 178.961 177.584 0.065 0.000 1.077 311 A CA 1.206 53.362 52.037 0.200 0.000 0.781 311 A CB 0.563 19.748 19.000 0.308 0.000 1.020 311 A HN 2.458 nan 8.150 nan 0.000 0.494 312 S N 0.536 116.278 115.700 0.069 0.000 2.558 312 S HA -0.034 4.436 4.470 -0.000 0.000 0.293 312 S C 1.479 176.087 174.600 0.013 0.000 1.292 312 S CA 0.094 58.305 58.200 0.018 0.000 1.063 312 S CB -0.132 63.074 63.200 0.011 0.000 0.831 312 S HN 0.866 nan 8.310 nan 0.000 0.499 313 N N 6.067 124.755 118.700 -0.020 0.000 2.149 313 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 313 N C 1.464 176.961 175.510 -0.021 0.000 1.019 313 N CA 1.936 54.969 53.050 -0.028 0.000 0.857 313 N CB -0.657 37.788 38.487 -0.070 0.000 0.997 313 N HN 0.713 nan 8.380 nan 0.000 0.426 314 I N 0.230 120.781 120.570 -0.031 0.000 2.252 314 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 314 I C 1.969 178.069 176.117 -0.029 0.000 1.102 314 I CA 0.907 62.184 61.300 -0.039 0.000 1.385 314 I CB -0.283 37.681 38.000 -0.060 0.000 1.064 314 I HN 0.093 nan 8.210 nan 0.000 0.414 315 S N 0.176 115.862 115.700 -0.024 0.000 2.368 315 S HA -0.213 4.257 4.470 -0.000 0.000 0.225 315 S C 1.960 176.621 174.600 0.102 0.000 1.030 315 S CA 1.218 59.415 58.200 -0.004 0.000 0.999 315 S CB -0.258 62.952 63.200 0.017 0.000 0.844 315 S HN 0.458 nan 8.310 nan 0.000 0.459 316 Q N 0.711 120.561 119.800 0.084 0.000 2.084 316 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 316 Q C 2.538 178.565 176.000 0.046 0.000 0.978 316 Q CA 1.408 57.261 55.803 0.084 0.000 0.844 316 Q CB -0.377 28.405 28.738 0.072 0.000 0.898 316 Q HN 0.605 nan 8.270 nan 0.000 0.426 317 A N 0.929 123.767 122.820 0.029 0.000 1.933 317 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 317 A C 2.264 179.867 177.584 0.031 0.000 1.175 317 A CA 1.640 53.687 52.037 0.017 0.000 0.628 317 A CB -1.085 17.916 19.000 0.003 0.000 0.814 317 A HN 0.486 nan 8.150 nan 0.000 0.444 318 G N -0.509 108.338 108.800 0.077 0.000 2.421 318 G HA2 0.012 3.972 3.960 -0.000 0.000 0.216 318 G HA3 0.012 3.972 3.960 -0.000 0.000 0.216 318 G C 1.756 176.699 174.900 0.070 0.000 1.171 318 G CA 1.414 46.622 45.100 0.181 0.000 0.775 318 G HN 0.783 nan 8.290 nan 0.000 0.543 319 A N 0.392 123.191 122.820 -0.036 0.000 1.902 319 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 319 A C 2.365 179.774 177.584 -0.293 0.000 1.181 319 A CA 1.635 53.365 52.037 -0.511 0.000 0.623 319 A CB -0.490 18.237 19.000 -0.456 0.000 0.818 319 A HN 0.401 nan 8.150 nan 0.000 0.443 320 L N -0.186 120.976 121.223 -0.101 0.000 2.042 320 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 320 L C 2.689 179.531 176.870 -0.047 0.000 1.076 320 L CA 2.182 56.994 54.840 -0.048 0.000 0.749 320 L CB -0.568 41.482 42.059 -0.015 0.000 0.893 320 L HN 0.356 nan 8.230 nan 0.000 0.432 321 A N -1.857 120.938 122.820 -0.041 0.000 2.015 321 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 321 A C 2.354 179.917 177.584 -0.035 0.000 1.163 321 A CA 1.542 53.565 52.037 -0.023 0.000 0.646 321 A CB -1.379 17.623 19.000 0.004 0.000 0.806 321 A HN 0.629 nan 8.150 nan 0.000 0.448 322 C N -0.752 118.495 119.300 -0.088 0.000 2.422 322 C HA 0.017 4.476 4.460 -0.000 0.000 0.279 322 C C 1.478 176.481 174.990 0.022 0.000 1.305 322 C CA 0.366 59.354 59.018 -0.051 0.000 1.757 322 C CB -1.246 26.402 27.740 -0.153 0.000 1.962 322 C HN 0.525 nan 8.230 nan 0.000 0.499 323 L N 1.944 123.168 121.223 0.002 0.000 2.865 323 L HA 0.229 4.569 4.340 -0.000 0.000 0.233 323 L C 0.484 177.325 176.870 -0.050 0.000 1.320 323 L CA 0.132 54.960 54.840 -0.021 0.000 1.225 323 L CB -0.986 41.063 42.059 -0.015 0.000 1.542 323 L HN 0.463 nan 8.230 nan 0.000 0.432 324 T N -4.968 109.562 114.554 -0.040 0.000 2.865 324 T HA 0.445 4.795 4.350 -0.000 0.000 0.294 324 T C -2.329 172.346 174.700 -0.042 0.000 1.119 324 T CA -1.739 60.337 62.100 -0.040 0.000 1.007 324 T CB 2.286 71.139 68.868 -0.026 0.000 1.225 324 T HN -0.228 nan 8.240 nan 0.000 0.515 325 P HA -0.103 nan 4.420 nan 0.000 0.215 325 P C 1.364 178.647 177.300 -0.028 0.000 1.157 325 P CA 1.206 64.281 63.100 -0.042 0.000 0.874 325 P CB 0.175 31.852 31.700 -0.038 0.000 0.790 326 E N -0.828 119.361 120.200 -0.017 0.000 2.106 326 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 326 E C 2.174 178.777 176.600 0.005 0.000 0.984 326 E CA 1.230 57.627 56.400 -0.005 0.000 0.806 326 E CB -0.835 28.864 29.700 -0.002 0.000 0.750 326 E HN 0.141 nan 8.360 nan 0.000 0.458 327 G N 0.972 109.773 108.800 0.003 0.000 2.404 327 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 327 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 327 G C 1.531 176.449 174.900 0.030 0.000 1.174 327 G CA 0.610 45.720 45.100 0.016 0.000 0.780 327 G HN 0.187 nan 8.290 nan 0.000 0.537 328 L N 0.181 121.410 121.223 0.010 0.000 2.093 328 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 328 L C 2.739 179.626 176.870 0.028 0.000 1.085 328 L CA 1.421 56.265 54.840 0.008 0.000 0.755 328 L CB -0.330 41.700 42.059 -0.049 0.000 0.904 328 L HN 0.367 nan 8.230 nan 0.000 0.435 329 E N 0.534 120.740 120.200 0.011 0.000 2.077 329 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 329 E C 2.198 178.843 176.600 0.075 0.000 0.989 329 E CA 1.252 57.670 56.400 0.030 0.000 0.800 329 E CB 0.028 29.731 29.700 0.005 0.000 0.746 329 E HN 0.458 nan 8.360 nan 0.000 0.452 330 A N 0.918 123.771 122.820 0.055 0.000 1.873 330 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 330 A C 2.229 179.855 177.584 0.070 0.000 1.186 330 A CA 1.492 53.562 52.037 0.054 0.000 0.616 330 A CB -0.461 18.566 19.000 0.044 0.000 0.823 330 A HN 0.293 nan 8.150 nan 0.000 0.442 331 M N -1.457 118.195 119.600 0.087 0.000 2.117 331 M HA -0.161 4.318 4.480 -0.000 0.000 0.262 331 M C 2.277 178.621 176.300 0.074 0.000 1.065 331 M CA 1.730 57.092 55.300 0.102 0.000 1.114 331 M CB -0.709 31.969 32.600 0.130 0.000 1.361 331 M HN 0.652 nan 8.290 nan 0.000 0.408 332 H N 0.796 119.857 119.070 -0.016 0.000 2.352 332 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 332 H C 2.083 177.404 175.328 -0.011 0.000 1.097 332 H CA 1.893 57.919 56.048 -0.038 0.000 1.311 332 H CB 0.055 29.796 29.762 -0.036 0.000 1.377 332 H HN 0.328 nan 8.280 nan 0.000 0.504 333 K N 0.179 120.600 120.400 0.035 0.000 2.025 333 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 333 K C 2.293 178.878 176.600 -0.025 0.000 1.049 333 K CA 1.228 57.515 56.287 -0.001 0.000 0.933 333 K CB 0.095 32.617 32.500 0.037 0.000 0.714 333 K HN 0.072 nan 8.250 nan 0.000 0.438 334 V N 1.708 121.611 119.914 -0.018 0.000 2.261 334 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 334 V C 2.288 178.391 176.094 0.016 0.000 1.047 334 V CA 1.874 64.147 62.300 -0.045 0.000 1.015 334 V CB -0.371 31.468 31.823 0.026 0.000 0.642 334 V HN 0.325 nan 8.190 nan 0.000 0.446 335 I N 0.790 121.385 120.570 0.042 0.000 2.151 335 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 335 I C 2.597 178.728 176.117 0.024 0.000 1.080 335 I CA 1.883 63.179 61.300 -0.007 0.000 1.339 335 I CB -0.945 36.822 38.000 -0.389 0.000 1.039 335 I HN 0.427 nan 8.210 nan 0.000 0.409 336 G N 0.388 109.122 108.800 -0.110 0.000 2.418 336 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 336 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 336 G C 1.591 176.525 174.900 0.056 0.000 1.158 336 G CA 0.630 45.682 45.100 -0.080 0.000 0.771 336 G HN 0.362 nan 8.290 nan 0.000 0.545 337 F N 0.689 120.601 119.950 -0.064 0.000 2.069 337 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 337 F C 2.472 178.318 175.800 0.077 0.000 1.113 337 F CA 1.277 59.244 58.000 -0.055 0.000 1.214 337 F CB -0.295 38.588 39.000 -0.195 0.000 0.978 337 F HN 0.163 nan 8.300 nan 0.000 0.474 338 Y N 0.924 121.364 120.300 0.234 0.000 2.274 338 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 338 Y C 2.380 178.341 175.900 0.102 0.000 1.145 338 Y CA 1.328 59.556 58.100 0.213 0.000 1.203 338 Y CB -1.066 37.768 38.460 0.623 0.000 0.984 338 Y HN 0.106 nan 8.280 nan 0.000 0.533 339 K N -0.301 120.272 120.400 0.288 0.000 2.097 339 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 339 K C 2.021 178.645 176.600 0.041 0.000 1.050 339 K CA 1.393 57.776 56.287 0.159 0.000 0.938 339 K CB -0.062 32.521 32.500 0.138 0.000 0.718 339 K HN 0.101 nan 8.250 nan 0.000 0.442 340 E N 1.617 121.806 120.200 -0.018 0.000 2.051 340 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 340 E C 1.512 178.056 176.600 -0.093 0.000 0.991 340 E CA 1.475 57.835 56.400 -0.066 0.000 0.799 340 E CB -0.198 29.444 29.700 -0.097 0.000 0.748 340 E HN 0.162 nan 8.360 nan 0.000 0.449 341 N N -0.247 118.351 118.700 -0.170 0.000 2.094 341 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 341 N C 1.761 177.261 175.510 -0.016 0.000 1.023 341 N CA 2.042 55.031 53.050 -0.102 0.000 0.857 341 N CB -0.944 37.503 38.487 -0.067 0.000 1.013 341 N HN 0.252 nan 8.380 nan 0.000 0.426 342 T N 1.580 116.128 114.554 -0.010 0.000 2.746 342 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 342 T C 1.549 176.252 174.700 0.006 0.000 1.039 342 T CA 1.044 63.134 62.100 -0.017 0.000 1.142 342 T CB -0.261 68.570 68.868 -0.061 0.000 0.866 342 T HN 0.261 nan 8.240 nan 0.000 0.444 343 N N 1.277 119.979 118.700 0.004 0.000 2.104 343 N HA -0.003 4.737 4.740 -0.000 0.000 0.190 343 N C 1.885 177.410 175.510 0.026 0.000 1.024 343 N CA 0.918 53.975 53.050 0.013 0.000 0.853 343 N CB -0.511 37.980 38.487 0.008 0.000 1.008 343 N HN 0.404 nan 8.380 nan 0.000 0.424 344 I N 0.928 121.511 120.570 0.022 0.000 2.163 344 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 344 I C 2.009 178.165 176.117 0.066 0.000 1.085 344 I CA 1.083 62.403 61.300 0.033 0.000 1.347 344 I CB -0.231 37.782 38.000 0.022 0.000 1.044 344 I HN 0.058 nan 8.210 nan 0.000 0.408 345 I N 0.396 121.025 120.570 0.098 0.000 2.233 345 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 345 I C 2.468 178.714 176.117 0.215 0.000 1.093 345 I CA 1.406 62.819 61.300 0.188 0.000 1.380 345 I CB -0.240 37.890 38.000 0.217 0.000 1.067 345 I HN 0.118 nan 8.210 nan 0.000 0.413 346 I N 0.930 121.578 120.570 0.130 0.000 2.118 346 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 346 I C 2.148 178.325 176.117 0.100 0.000 1.070 346 I CA 1.612 62.976 61.300 0.106 0.000 1.327 346 I CB -0.542 37.485 38.000 0.045 0.000 1.034 346 I HN 0.254 nan 8.210 nan 0.000 0.405 347 D N 0.297 120.736 120.400 0.064 0.000 2.123 347 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 347 D C 2.214 178.534 176.300 0.033 0.000 0.992 347 D CA 1.710 55.735 54.000 0.042 0.000 0.833 347 D CB -0.523 40.293 40.800 0.027 0.000 0.954 347 D HN 0.315 nan 8.370 nan 0.000 0.455 348 T N 0.331 114.896 114.554 0.018 0.000 2.652 348 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 348 T C 1.811 176.434 174.700 -0.129 0.000 1.039 348 T CA 0.926 62.983 62.100 -0.073 0.000 1.153 348 T CB -0.459 68.336 68.868 -0.121 0.000 0.863 348 T HN 0.079 nan 8.240 nan 0.000 0.428 349 F N 1.407 121.359 119.950 0.004 0.000 2.259 349 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 349 F C 2.806 178.614 175.800 0.013 0.000 1.088 349 F CA 0.798 58.774 58.000 -0.039 0.000 1.358 349 F CB -1.018 37.868 39.000 -0.191 0.000 1.040 349 F HN 0.102 nan 8.300 nan 0.000 0.505 350 T N -0.850 113.794 114.554 0.151 0.000 2.746 350 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 350 T C 2.283 177.014 174.700 0.053 0.000 1.039 350 T CA 1.727 63.872 62.100 0.075 0.000 1.142 350 T CB -0.563 68.329 68.868 0.039 0.000 0.866 350 T HN 0.375 nan 8.240 nan 0.000 0.444 351 S N 1.395 117.119 115.700 0.041 0.000 2.447 351 S HA 0.072 4.541 4.470 -0.000 0.000 0.233 351 S C 1.870 176.488 174.600 0.030 0.000 1.006 351 S CA 0.575 58.789 58.200 0.023 0.000 0.957 351 S CB -0.673 62.533 63.200 0.011 0.000 0.773 351 S HN 0.439 nan 8.310 nan 0.000 0.507 352 L N 1.050 122.307 121.223 0.055 0.000 2.599 352 L HA 0.280 4.620 4.340 -0.000 0.000 0.230 352 L C 1.823 178.714 176.870 0.036 0.000 1.141 352 L CA 0.432 55.318 54.840 0.078 0.000 0.877 352 L CB -0.565 41.586 42.059 0.153 0.000 1.009 352 L HN 0.619 nan 8.230 nan 0.000 0.447 353 G N -1.361 107.455 108.800 0.027 0.000 2.136 353 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.242 353 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.242 353 G C -0.042 174.804 174.900 -0.091 0.000 0.989 353 G CA -0.411 44.689 45.100 -0.001 0.000 0.682 353 G HN 0.241 nan 8.290 nan 0.000 0.522 354 Y N 0.938 121.162 120.300 -0.127 0.000 2.301 354 Y HA 0.434 4.984 4.550 -0.000 0.000 0.328 354 Y C 0.811 176.602 175.900 -0.181 0.000 1.242 354 Y CA -0.528 57.422 58.100 -0.251 0.000 1.323 354 Y CB 0.660 38.840 38.460 -0.468 0.000 1.266 354 Y HN 0.045 nan 8.280 nan 0.000 0.527 355 D N 1.990 122.380 120.400 -0.017 0.000 2.339 355 D HA 0.244 4.884 4.640 -0.000 0.000 0.256 355 D C -0.881 175.235 176.300 -0.306 0.000 1.214 355 D CA 0.243 54.149 54.000 -0.158 0.000 0.877 355 D CB 0.975 41.763 40.800 -0.019 0.000 1.111 355 D HN 0.123 nan 8.370 nan 0.000 0.478 356 V N 3.673 123.318 119.914 -0.448 0.000 2.540 356 V HA 0.377 4.497 4.120 -0.000 0.000 0.302 356 V C -0.685 175.123 176.094 -0.477 0.000 1.035 356 V CA -0.838 61.257 62.300 -0.342 0.000 0.873 356 V CB 1.043 32.780 31.823 -0.144 0.000 0.992 356 V HN 0.337 nan 8.190 nan 0.000 0.428 357 Y N 1.687 122.075 120.300 0.145 0.000 2.562 357 Y HA 0.837 5.386 4.550 -0.000 0.000 0.343 357 Y C 0.891 176.830 175.900 0.065 0.000 1.025 357 Y CA 0.331 58.539 58.100 0.181 0.000 1.082 357 Y CB 1.988 40.661 38.460 0.356 0.000 1.264 357 Y HN 1.029 nan 8.280 nan 0.000 0.478 358 G N 0.534 109.427 108.800 0.155 0.000 2.593 358 G HA2 0.210 4.170 3.960 -0.000 0.000 0.237 358 G HA3 0.210 4.170 3.960 -0.000 0.000 0.237 358 G C 0.807 175.674 174.900 -0.056 0.000 1.312 358 G CA 0.221 45.306 45.100 -0.025 0.000 0.896 358 G HN 1.914 nan 8.290 nan 0.000 0.574 359 G N -1.534 107.165 108.800 -0.169 0.000 2.212 359 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.266 359 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.266 359 G C 1.244 176.081 174.900 -0.107 0.000 0.978 359 G CA 1.873 46.879 45.100 -0.158 0.000 0.632 359 G HN 1.743 nan 8.290 nan 0.000 0.537 360 K N 0.548 120.902 120.400 -0.078 0.000 2.128 360 K HA 0.177 4.497 4.320 -0.000 0.000 0.202 360 K C 1.586 178.173 176.600 -0.022 0.000 1.050 360 K CA 1.526 57.796 56.287 -0.028 0.000 0.966 360 K CB -0.084 32.416 32.500 0.001 0.000 0.759 360 K HN 0.301 nan 8.250 nan 0.000 0.454 361 N N -0.067 118.597 118.700 -0.060 0.000 2.235 361 N HA 0.269 5.009 4.740 -0.000 0.000 0.231 361 N C -1.229 174.236 175.510 -0.075 0.000 1.177 361 N CA 0.365 53.404 53.050 -0.017 0.000 0.874 361 N CB 1.611 40.101 38.487 0.004 0.000 1.097 361 N HN 0.196 nan 8.380 nan 0.000 0.518 362 A N 0.855 123.509 122.820 -0.277 0.000 2.605 362 A HA 0.483 4.803 4.320 -0.000 0.000 0.294 362 A C -2.783 174.260 177.584 -0.901 0.000 1.062 362 A CA -0.893 50.715 52.037 -0.715 0.000 0.682 362 A CB 1.632 19.922 19.000 -1.182 0.000 1.278 362 A HN -0.169 nan 8.150 nan 0.000 0.410 363 P HA 0.359 nan 4.420 nan 0.000 0.220 363 P C -1.315 175.515 177.300 -0.782 0.000 1.793 363 P CA 0.401 62.992 63.100 -0.848 0.000 0.917 363 P CB -1.155 29.977 31.700 -0.948 0.000 1.755 364 Y N -2.075 117.939 120.300 -0.476 0.000 2.677 364 Y HA 0.621 5.171 4.550 -0.000 0.000 0.334 364 Y C -0.952 174.807 175.900 -0.235 0.000 1.196 364 Y CA -2.027 55.852 58.100 -0.369 0.000 1.059 364 Y CB 0.725 38.924 38.460 -0.434 0.000 1.315 364 Y HN -0.090 nan 8.280 nan 0.000 0.455 365 V N -1.626 118.323 119.914 0.058 0.000 2.914 365 V HA 0.613 4.733 4.120 -0.000 0.000 0.314 365 V C -1.691 174.487 176.094 0.140 0.000 1.084 365 V CA -0.994 61.335 62.300 0.047 0.000 0.963 365 V CB 2.703 34.517 31.823 -0.015 0.000 1.025 365 V HN 1.112 nan 8.190 nan 0.000 0.432 366 W N 4.435 125.686 121.300 -0.083 0.000 2.391 366 W HA 0.702 5.361 4.660 -0.000 0.000 0.312 366 W C -1.844 174.753 176.519 0.130 0.000 1.003 366 W CA -0.710 56.617 57.345 -0.031 0.000 1.375 366 W CB 1.838 31.220 29.460 -0.131 0.000 1.253 366 W HN 0.636 nan 8.180 nan 0.000 0.416 367 V N 5.499 125.317 119.914 -0.159 0.000 2.394 367 V HA 0.165 4.284 4.120 -0.000 0.000 0.282 367 V C 0.365 176.302 176.094 -0.262 0.000 1.031 367 V CA -0.610 61.491 62.300 -0.332 0.000 0.881 367 V CB 1.338 32.672 31.823 -0.815 0.000 0.982 367 V HN 0.416 nan 8.190 nan 0.000 0.451 368 H N 4.679 123.521 119.070 -0.380 0.000 2.742 368 H HA 0.345 4.901 4.556 -0.000 0.000 0.302 368 H C -1.505 173.525 175.328 -0.497 0.000 1.069 368 H CA -0.362 55.312 56.048 -0.624 0.000 1.446 368 H CB 0.599 30.087 29.762 -0.456 0.000 1.462 368 H HN 0.541 nan 8.280 nan 0.000 0.499 369 F N 7.312 126.808 119.950 -0.757 0.000 2.363 369 F HA 0.239 4.766 4.527 -0.000 0.000 0.366 369 F C -1.935 173.496 175.800 -0.614 0.000 1.083 369 F CA -2.166 55.541 58.000 -0.487 0.000 1.176 369 F CB 1.083 39.893 39.000 -0.318 0.000 1.432 369 F HN 0.478 nan 8.300 nan 0.000 0.482 370 P HA 0.020 nan 4.420 nan 0.000 0.267 370 P C -0.143 177.083 177.300 -0.124 0.000 1.200 370 P CA 0.289 63.158 63.100 -0.384 0.000 0.772 370 P CB 0.676 32.234 31.700 -0.237 0.000 0.855 371 N N -0.648 118.009 118.700 -0.072 0.000 2.782 371 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 371 N C -0.858 174.657 175.510 0.009 0.000 1.101 371 N CA 1.320 54.361 53.050 -0.016 0.000 0.764 371 N CB -1.298 37.185 38.487 -0.007 0.000 1.122 371 N HN 0.595 nan 8.380 nan 0.000 0.561 372 Q N -1.232 118.568 119.800 -0.000 0.000 2.377 372 Q HA 0.550 4.890 4.340 -0.000 0.000 0.279 372 Q C -0.493 175.507 176.000 -0.000 0.000 1.049 372 Q CA -0.770 55.043 55.803 0.017 0.000 0.825 372 Q CB 1.751 30.510 28.738 0.035 0.000 1.401 372 Q HN 0.222 nan 8.270 nan 0.000 0.404 373 S N -0.112 115.602 115.700 0.024 0.000 2.585 373 S HA 0.142 4.612 4.470 -0.000 0.000 0.273 373 S C 0.851 175.453 174.600 0.003 0.000 1.339 373 S CA 0.102 58.325 58.200 0.039 0.000 1.028 373 S CB 1.036 64.290 63.200 0.090 0.000 0.906 373 S HN 0.740 nan 8.310 nan 0.000 0.528 374 S N 1.070 116.756 115.700 -0.024 0.000 2.461 374 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 374 S C 1.228 175.755 174.600 -0.122 0.000 1.005 374 S CA 0.119 58.241 58.200 -0.130 0.000 0.942 374 S CB -0.823 62.275 63.200 -0.170 0.000 0.776 374 S HN 0.874 nan 8.310 nan 0.000 0.514 375 W N 2.315 123.599 121.300 -0.026 0.000 2.402 375 W HA 0.025 4.684 4.660 -0.000 0.000 0.286 375 W C 1.867 178.423 176.519 0.061 0.000 1.221 375 W CA 0.605 57.944 57.345 -0.010 0.000 1.257 375 W CB -0.143 29.279 29.460 -0.062 0.000 1.120 375 W HN 0.251 nan 8.180 nan 0.000 0.551 376 D N -0.278 120.258 120.400 0.227 0.000 2.097 376 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 376 D C 2.295 178.635 176.300 0.066 0.000 0.984 376 D CA 1.502 55.586 54.000 0.139 0.000 0.826 376 D CB -0.838 40.013 40.800 0.085 0.000 0.973 376 D HN -0.065 nan 8.370 nan 0.000 0.460 377 V N 1.187 121.075 119.914 -0.043 0.000 2.282 377 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 377 V C 2.215 178.220 176.094 -0.149 0.000 1.057 377 V CA 1.646 63.813 62.300 -0.221 0.000 1.032 377 V CB -0.705 30.762 31.823 -0.593 0.000 0.645 377 V HN 0.132 nan 8.190 nan 0.000 0.447 378 F N 1.653 121.485 119.950 -0.198 0.000 2.065 378 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 378 F C 2.287 178.072 175.800 -0.024 0.000 1.112 378 F CA 1.940 59.863 58.000 -0.128 0.000 1.212 378 F CB -0.627 38.287 39.000 -0.144 0.000 0.975 378 F HN 0.069 nan 8.300 nan 0.000 0.476 379 A N -0.149 122.788 122.820 0.194 0.000 1.902 379 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 379 A C 2.278 179.828 177.584 -0.056 0.000 1.181 379 A CA 1.788 53.882 52.037 0.096 0.000 0.623 379 A CB -1.096 18.045 19.000 0.236 0.000 0.818 379 A HN 0.636 nan 8.150 nan 0.000 0.443 380 E N -0.189 119.989 120.200 -0.037 0.000 2.051 380 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 380 E C 1.916 178.451 176.600 -0.109 0.000 0.991 380 E CA 1.281 57.652 56.400 -0.049 0.000 0.799 380 E CB -0.221 29.472 29.700 -0.012 0.000 0.748 380 E HN 0.659 nan 8.360 nan 0.000 0.449 381 I N 0.792 121.279 120.570 -0.137 0.000 2.226 381 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 381 I C 2.567 178.549 176.117 -0.224 0.000 1.100 381 I CA 0.566 61.794 61.300 -0.120 0.000 1.374 381 I CB -0.218 37.753 38.000 -0.048 0.000 1.057 381 I HN 0.249 nan 8.210 nan 0.000 0.413 382 L N 1.069 122.066 121.223 -0.377 0.000 2.056 382 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 382 L C 2.418 179.060 176.870 -0.379 0.000 1.078 382 L CA 1.979 56.532 54.840 -0.478 0.000 0.749 382 L CB -0.670 40.992 42.059 -0.663 0.000 0.901 382 L HN 0.177 nan 8.230 nan 0.000 0.433 383 E N -0.060 120.043 120.200 -0.163 0.000 2.051 383 E HA -0.232 4.117 4.350 -0.000 0.000 0.192 383 E C 2.124 178.623 176.600 -0.167 0.000 0.991 383 E CA 1.856 58.271 56.400 0.025 0.000 0.799 383 E CB -0.080 29.661 29.700 0.068 0.000 0.748 383 E HN 0.511 nan 8.360 nan 0.000 0.449 384 K N -1.310 118.954 120.400 -0.226 0.000 2.211 384 K HA 0.055 4.375 4.320 -0.000 0.000 0.201 384 K C 1.808 178.195 176.600 -0.354 0.000 1.052 384 K CA 1.391 57.523 56.287 -0.258 0.000 0.973 384 K CB 0.333 32.722 32.500 -0.184 0.000 0.766 384 K HN 0.300 nan 8.250 nan 0.000 0.466 385 T N -3.359 110.984 114.554 -0.353 0.000 2.975 385 T HA 0.050 4.399 4.350 -0.000 0.000 0.257 385 T C 0.139 174.731 174.700 -0.180 0.000 1.003 385 T CA -0.331 61.624 62.100 -0.242 0.000 0.932 385 T CB 0.074 68.849 68.868 -0.154 0.000 1.087 385 T HN 0.183 nan 8.240 nan 0.000 0.512 386 H N -0.084 118.923 119.070 -0.105 0.000 2.862 386 H HA -0.102 4.454 4.556 -0.000 0.000 0.290 386 H C -0.560 174.681 175.328 -0.145 0.000 1.211 386 H CA 0.605 56.573 56.048 -0.134 0.000 1.140 386 H CB -2.479 27.302 29.762 0.031 0.000 1.341 386 H HN 0.385 nan 8.280 nan 0.000 0.392 387 V N 1.253 121.109 119.914 -0.097 0.000 2.435 387 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 387 V C 0.814 176.860 176.094 -0.081 0.000 1.030 387 V CA -0.832 61.441 62.300 -0.044 0.000 0.881 387 V CB 2.425 34.238 31.823 -0.017 0.000 0.983 387 V HN 0.083 nan 8.190 nan 0.000 0.445 388 V N 4.809 124.710 119.914 -0.021 0.000 2.432 388 V HA 0.550 4.670 4.120 -0.000 0.000 0.275 388 V C 0.620 176.785 176.094 0.119 0.000 1.043 388 V CA -0.082 62.215 62.300 -0.005 0.000 0.925 388 V CB 1.229 33.119 31.823 0.112 0.000 0.985 388 V HN 1.100 nan 8.190 nan 0.000 0.466 389 T N 1.147 115.791 114.554 0.151 0.000 2.762 389 T HA 0.602 4.952 4.350 -0.000 0.000 0.272 389 T C -0.228 174.668 174.700 0.327 0.000 0.982 389 T CA -0.741 61.486 62.100 0.213 0.000 1.013 389 T CB 1.969 70.903 68.868 0.110 0.000 1.309 389 T HN 0.474 nan 8.240 nan 0.000 0.572 390 T N 3.180 117.855 114.554 0.200 0.000 2.786 390 T HA 0.557 4.907 4.350 -0.000 0.000 0.283 390 T C -2.795 171.877 174.700 -0.047 0.000 0.992 390 T CA -1.188 60.965 62.100 0.088 0.000 0.954 390 T CB 1.417 70.433 68.868 0.247 0.000 0.934 390 T HN 0.535 nan 8.240 nan 0.000 0.440 391 P HA 0.169 nan 4.420 nan 0.000 0.271 391 P C 1.064 178.228 177.300 -0.227 0.000 1.220 391 P CA -0.132 62.653 63.100 -0.525 0.000 0.768 391 P CB 0.867 31.747 31.700 -1.367 0.000 0.848 392 G N 2.813 111.613 108.800 0.001 0.000 2.432 392 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 392 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 392 G C 1.528 176.633 174.900 0.341 0.000 1.135 392 G CA 0.890 46.220 45.100 0.382 0.000 0.767 392 G HN 0.592 nan 8.290 nan 0.000 0.550 393 S N 0.501 116.239 115.700 0.062 0.000 2.442 393 S HA 0.041 4.511 4.470 -0.000 0.000 0.236 393 S C 2.369 176.960 174.600 -0.015 0.000 1.007 393 S CA 1.235 59.474 58.200 0.066 0.000 0.965 393 S CB -0.553 62.685 63.200 0.063 0.000 0.773 393 S HN 0.394 nan 8.310 nan 0.000 0.504 394 G N 0.221 108.883 108.800 -0.230 0.000 2.498 394 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.219 394 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.219 394 G C 0.643 175.198 174.900 -0.576 0.000 1.119 394 G CA 0.285 45.103 45.100 -0.471 0.000 0.766 394 G HN 0.624 nan 8.290 nan 0.000 0.552 395 F N 0.884 120.757 119.950 -0.129 0.000 2.639 395 F HA 0.459 4.986 4.527 -0.000 0.000 0.300 395 F C 1.369 177.163 175.800 -0.010 0.000 1.109 395 F CA 0.298 58.229 58.000 -0.115 0.000 1.335 395 F CB 0.470 39.377 39.000 -0.154 0.000 1.014 395 F HN 0.309 nan 8.300 nan 0.000 0.537 396 G N 0.922 109.821 108.800 0.164 0.000 2.497 396 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 396 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 396 G C -2.237 172.761 174.900 0.162 0.000 1.288 396 G CA -0.719 44.507 45.100 0.209 0.000 0.899 396 G HN -0.117 nan 8.290 nan 0.000 0.608 397 P HA -0.048 nan 4.420 nan 0.000 0.218 397 P C 1.873 179.236 177.300 0.105 0.000 1.149 397 P CA 1.985 65.110 63.100 0.043 0.000 0.817 397 P CB -0.191 31.448 31.700 -0.102 0.000 0.785 398 G N -0.151 108.722 108.800 0.121 0.000 2.625 398 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.214 398 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.214 398 G C 1.605 176.668 174.900 0.271 0.000 1.132 398 G CA 0.631 45.830 45.100 0.165 0.000 0.782 398 G HN 0.416 nan 8.290 nan 0.000 0.538 399 G N -0.263 108.730 108.800 0.320 0.000 2.777 399 G HA2 0.119 4.079 3.960 -0.000 0.000 0.211 399 G HA3 0.119 4.079 3.960 -0.000 0.000 0.211 399 G C 0.591 175.756 174.900 0.441 0.000 1.149 399 G CA -0.053 45.358 45.100 0.519 0.000 0.785 399 G HN 0.403 nan 8.290 nan 0.000 0.536 400 E N 0.541 120.927 120.200 0.310 0.000 2.465 400 E HA 0.364 4.714 4.350 -0.000 0.000 0.260 400 E C 1.333 178.070 176.600 0.228 0.000 0.980 400 E CA 0.833 57.360 56.400 0.212 0.000 0.927 400 E CB 0.144 29.932 29.700 0.147 0.000 0.934 400 E HN 0.429 nan 8.360 nan 0.000 0.459 401 G N 3.007 111.852 108.800 0.074 0.000 2.176 401 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 401 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 401 G C -0.084 174.634 174.900 -0.304 0.000 0.979 401 G CA 0.145 45.190 45.100 -0.091 0.000 0.641 401 G HN 0.366 nan 8.290 nan 0.000 0.530 402 F N -0.752 119.066 119.950 -0.219 0.000 2.575 402 F HA 0.788 5.314 4.527 -0.000 0.000 0.330 402 F C 0.317 175.817 175.800 -0.501 0.000 1.056 402 F CA -1.177 56.483 58.000 -0.566 0.000 0.964 402 F CB 2.369 40.421 39.000 -1.580 0.000 1.258 402 F HN -0.002 nan 8.300 nan 0.000 0.484 403 V N 1.924 121.674 119.914 -0.274 0.000 2.638 403 V HA 0.447 4.567 4.120 -0.000 0.000 0.306 403 V C -0.510 175.541 176.094 -0.071 0.000 1.052 403 V CA -1.010 61.189 62.300 -0.168 0.000 0.885 403 V CB 2.010 33.688 31.823 -0.241 0.000 0.999 403 V HN 0.645 nan 8.190 nan 0.000 0.424 404 R N 2.821 123.405 120.500 0.140 0.000 2.297 404 R HA 0.696 5.036 4.340 -0.000 0.000 0.308 404 R C -1.411 174.930 176.300 0.069 0.000 1.029 404 R CA -0.277 55.930 56.100 0.179 0.000 0.929 404 R CB 1.501 31.888 30.300 0.146 0.000 1.046 404 R HN 0.541 nan 8.270 nan 0.000 0.461 405 V N 3.274 123.205 119.914 0.028 0.000 2.407 405 V HA 0.164 4.284 4.120 -0.000 0.000 0.291 405 V C 0.195 176.322 176.094 0.056 0.000 1.018 405 V CA -0.683 61.650 62.300 0.054 0.000 0.842 405 V CB 1.497 33.344 31.823 0.041 0.000 0.996 405 V HN 0.823 nan 8.190 nan 0.000 0.426 406 S N 3.583 119.309 115.700 0.042 0.000 2.564 406 S HA 0.445 4.915 4.470 -0.000 0.000 0.278 406 S C 1.172 175.732 174.600 -0.068 0.000 1.333 406 S CA 0.221 58.380 58.200 -0.067 0.000 1.048 406 S CB 1.339 64.503 63.200 -0.061 0.000 0.900 406 S HN 1.046 nan 8.310 nan 0.000 0.505 407 A N 4.637 127.317 122.820 -0.233 0.000 2.275 407 A HA 0.335 4.655 4.320 -0.000 0.000 0.212 407 A C 0.013 177.597 177.584 -0.000 0.000 1.201 407 A CA -0.215 51.755 52.037 -0.111 0.000 0.843 407 A CB -0.245 18.677 19.000 -0.130 0.000 0.873 407 A HN 0.668 nan 8.150 nan 0.000 0.492 408 F N 0.884 120.796 119.950 -0.063 0.000 2.466 408 F HA 0.523 5.050 4.527 -0.000 0.000 0.363 408 F C 1.001 176.855 175.800 0.091 0.000 1.109 408 F CA -0.304 57.616 58.000 -0.135 0.000 1.161 408 F CB 0.348 39.185 39.000 -0.272 0.000 1.117 408 F HN 0.191 nan 8.300 nan 0.000 0.539 409 G N 2.149 111.238 108.800 0.482 0.000 2.489 409 G HA2 0.225 4.185 3.960 -0.000 0.000 0.291 409 G HA3 0.225 4.185 3.960 -0.000 0.000 0.291 409 G C -1.645 173.537 174.900 0.471 0.000 1.487 409 G CA -1.044 44.244 45.100 0.312 0.000 0.795 409 G HN 0.388 nan 8.290 nan 0.000 0.513 410 H N 0.375 119.658 119.070 0.355 0.000 2.972 410 H HA 0.137 4.693 4.556 -0.000 0.000 0.343 410 H C 1.731 177.266 175.328 0.345 0.000 1.054 410 H CA 0.112 56.367 56.048 0.346 0.000 1.412 410 H CB 1.302 31.182 29.762 0.197 0.000 1.385 410 H HN 0.642 nan 8.280 nan 0.000 0.600 411 R N 1.979 122.821 120.500 0.570 0.000 2.096 411 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 411 R C 1.836 178.260 176.300 0.207 0.000 1.139 411 R CA 1.966 58.269 56.100 0.338 0.000 0.952 411 R CB -0.293 30.213 30.300 0.344 0.000 0.854 411 R HN 0.641 nan 8.270 nan 0.000 0.436 412 E N 0.202 120.522 120.200 0.200 0.000 2.110 412 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 412 E C 1.359 178.028 176.600 0.114 0.000 0.988 412 E CA 1.606 58.083 56.400 0.129 0.000 0.804 412 E CB -0.350 29.415 29.700 0.109 0.000 0.745 412 E HN 0.404 nan 8.360 nan 0.000 0.458 413 N N 0.108 118.903 118.700 0.159 0.000 2.171 413 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 413 N C 1.678 177.232 175.510 0.074 0.000 1.021 413 N CA 0.986 54.102 53.050 0.110 0.000 0.854 413 N CB -0.182 38.381 38.487 0.127 0.000 0.994 413 N HN 0.216 nan 8.380 nan 0.000 0.426 414 I N 1.491 122.126 120.570 0.109 0.000 2.179 414 I HA -0.195 3.974 4.170 -0.000 0.000 0.242 414 I C 2.267 178.406 176.117 0.036 0.000 1.088 414 I CA 0.836 62.185 61.300 0.081 0.000 1.357 414 I CB -1.175 36.880 38.000 0.093 0.000 1.051 414 I HN 0.096 nan 8.210 nan 0.000 0.409 415 L N 0.236 121.483 121.223 0.040 0.000 2.017 415 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 415 L C 2.615 179.471 176.870 -0.024 0.000 1.073 415 L CA 1.473 56.322 54.840 0.015 0.000 0.745 415 L CB -0.562 41.515 42.059 0.030 0.000 0.894 415 L HN 0.211 nan 8.230 nan 0.000 0.432 416 E N 0.523 120.708 120.200 -0.025 0.000 2.077 416 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 416 E C 2.082 178.587 176.600 -0.157 0.000 0.989 416 E CA 1.547 57.909 56.400 -0.063 0.000 0.800 416 E CB -0.113 29.569 29.700 -0.031 0.000 0.746 416 E HN 0.365 nan 8.360 nan 0.000 0.452 417 A N -0.135 122.566 122.820 -0.198 0.000 1.902 417 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 417 A C 2.581 179.745 177.584 -0.700 0.000 1.181 417 A CA 1.506 53.261 52.037 -0.469 0.000 0.623 417 A CB -1.017 17.775 19.000 -0.347 0.000 0.818 417 A HN 0.505 nan 8.150 nan 0.000 0.443 418 C N -0.394 118.736 119.300 -0.283 0.000 2.446 418 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 418 C C 2.895 177.812 174.990 -0.121 0.000 1.275 418 C CA 1.146 60.099 59.018 -0.108 0.000 1.727 418 C CB -1.343 26.403 27.740 0.009 0.000 2.010 418 C HN 0.838 nan 8.230 nan 0.000 0.486 419 R N 1.532 121.959 120.500 -0.122 0.000 2.096 419 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 419 R C 2.101 178.334 176.300 -0.112 0.000 1.127 419 R CA 1.511 57.558 56.100 -0.087 0.000 0.968 419 R CB -0.550 29.715 30.300 -0.060 0.000 0.861 419 R HN 0.460 nan 8.270 nan 0.000 0.440 420 R N -0.178 120.202 120.500 -0.200 0.000 2.081 420 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 420 R C 2.064 178.274 176.300 -0.150 0.000 1.131 420 R CA 1.741 57.715 56.100 -0.210 0.000 0.960 420 R CB -0.456 29.674 30.300 -0.284 0.000 0.856 420 R HN 0.214 nan 8.270 nan 0.000 0.436 421 F N 1.453 121.347 119.950 -0.095 0.000 2.102 421 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 421 F C 2.205 177.966 175.800 -0.065 0.000 1.105 421 F CA 1.160 59.107 58.000 -0.088 0.000 1.239 421 F CB -0.578 38.297 39.000 -0.210 0.000 0.991 421 F HN -0.082 nan 8.300 nan 0.000 0.474 422 K N -0.278 120.172 120.400 0.085 0.000 2.026 422 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 422 K C 2.114 178.718 176.600 0.008 0.000 1.048 422 K CA 1.567 57.877 56.287 0.038 0.000 0.929 422 K CB -0.380 32.115 32.500 -0.009 0.000 0.713 422 K HN 0.144 nan 8.250 nan 0.000 0.439 423 Q N 1.353 121.138 119.800 -0.024 0.000 2.050 423 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 423 Q C 1.975 177.948 176.000 -0.045 0.000 0.980 423 Q CA 1.304 57.088 55.803 -0.032 0.000 0.840 423 Q CB -0.267 28.451 28.738 -0.035 0.000 0.898 423 Q HN 0.227 nan 8.270 nan 0.000 0.424 424 L N -0.926 120.222 121.223 -0.125 0.000 2.046 424 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 424 L C 1.229 177.934 176.870 -0.275 0.000 1.077 424 L CA 1.826 56.494 54.840 -0.286 0.000 0.747 424 L CB -0.357 41.372 42.059 -0.550 0.000 0.896 424 L HN 0.318 nan 8.230 nan 0.000 0.432 425 Y N -0.752 119.574 120.300 0.044 0.000 2.444 425 Y HA 0.119 4.669 4.550 -0.000 0.000 0.249 425 Y C 2.103 178.095 175.900 0.153 0.000 1.134 425 Y CA 0.336 58.496 58.100 0.099 0.000 1.261 425 Y CB -0.423 38.165 38.460 0.213 0.000 1.143 425 Y HN 0.292 nan 8.280 nan 0.000 0.523 426 K N -0.748 119.724 120.400 0.119 0.000 2.147 426 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 426 K C 0.757 177.282 176.600 -0.125 0.000 1.049 426 K CA 1.919 58.169 56.287 -0.062 0.000 0.936 426 K CB -0.334 32.011 32.500 -0.258 0.000 0.722 426 K HN 0.274 nan 8.250 nan 0.000 0.446 427 H N -0.623 118.550 119.070 0.171 0.000 2.529 427 H HA 0.074 4.630 4.556 -0.000 0.000 0.277 427 H C 0.898 176.337 175.328 0.185 0.000 1.004 427 H CA 0.557 56.687 56.048 0.135 0.000 1.167 427 H CB 0.355 30.173 29.762 0.093 0.000 1.445 427 H HN 0.526 nan 8.280 nan 0.000 0.554 428 H N -0.960 118.222 119.070 0.187 0.000 3.400 428 H HA 0.081 4.637 4.556 -0.000 0.000 0.251 428 H C -0.129 175.271 175.328 0.120 0.000 1.040 428 H CA 0.091 56.245 56.048 0.175 0.000 1.175 428 H CB 0.998 30.913 29.762 0.255 0.000 1.487 428 H HN 0.222 nan 8.280 nan 0.000 0.505 429 H N 0.000 119.109 119.070 0.064 0.000 2.539 429 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 429 H CA 0.000 55.942 56.048 -0.176 0.000 1.023 429 H CB 0.000 29.662 29.762 -0.166 0.000 1.292 429 H HN 0.000 nan 8.280 nan 0.000 0.496