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 2z3t_1_B DATA FIRST_RESID 5 DATA SEQUENCE TLPRFDLMGW DKKDIADPYP VYRRYREAAP VHRTASGPGK PDTYYVFTYD DATA SEQUENCE DVVRVLSNRR LGRNARVXXX XXXXXXXXXX XXXRALRTVV ENWLVFLDPP DATA SEQUENCE HHTELRSLLT TEFSPSIVTG LRPRIAELAS ALLDRLRAQR RPDLVEGFAA DATA SEQUENCE PLPILVISAL LGIPEEDHTW LRANAVALQE ASTTRAXXXR GYARAEAASQ DATA SEQUENCE EFTRYFRREV DXXXXXXXXD LLTLLVRAXX XXXXXSVDGI VGTCVHLLTA DATA SEQUENCE GHETTTNFLA KAVLTLRAHR DVLDELRTTP ESTPAAVEEL MRYDPPVQAV DATA SEQUENCE TRWAYEDIRL GDHDIPRGSR VVALLGSANR DPARFPDPDV LDVHRAAERQ DATA SEQUENCE VGFGLGIHYC LGATLARAEA EIGLRALLDG IPALGRGAHE VEYADDMVFH DATA SEQUENCE GPTRLLLDLP 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.635 174.700 -0.108 0.000 1.109 5 T CA 0.000 62.060 62.100 -0.067 0.000 1.349 5 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 6 L N 1.361 122.508 121.223 -0.126 0.000 2.409 6 L HA 0.719 5.059 4.340 0.000 0.000 0.262 6 L C -1.988 174.857 176.870 -0.041 0.000 0.992 6 L CA -2.139 52.587 54.840 -0.190 0.000 0.817 6 L CB 2.323 44.049 42.059 -0.555 0.000 1.350 6 L HN 0.701 nan 8.230 nan 0.000 0.411 7 P HA 0.160 nan 4.420 nan 0.000 0.272 7 P C -0.713 176.681 177.300 0.157 0.000 1.240 7 P CA -0.632 62.500 63.100 0.054 0.000 0.791 7 P CB 0.652 32.348 31.700 -0.006 0.000 0.978 8 R N 0.205 120.766 120.500 0.102 0.000 2.585 8 R HA 0.131 4.471 4.340 0.000 0.000 0.275 8 R C 0.009 176.361 176.300 0.086 0.000 1.018 8 R CA 0.097 56.275 56.100 0.130 0.000 1.072 8 R CB -0.396 29.948 30.300 0.073 0.000 0.953 8 R HN 0.385 nan 8.270 nan 0.000 0.419 9 F N 3.971 123.877 119.950 -0.072 0.000 2.375 9 F HA 0.298 4.825 4.527 0.000 0.000 0.333 9 F C -0.283 175.241 175.800 -0.460 0.000 1.104 9 F CA 0.020 57.791 58.000 -0.381 0.000 1.149 9 F CB 0.897 39.497 39.000 -0.667 0.000 1.190 9 F HN 0.654 nan 8.300 nan 0.000 0.533 10 D N 4.578 124.367 120.400 -1.019 0.000 2.722 10 D HA 0.040 4.680 4.640 0.000 0.000 0.231 10 D C -0.821 175.210 176.300 -0.448 0.000 1.218 10 D CA -0.510 53.149 54.000 -0.568 0.000 0.753 10 D CB 0.407 41.138 40.800 -0.115 0.000 1.471 10 D HN 0.595 nan 8.370 nan 0.000 0.455 11 L N -0.022 121.094 121.223 -0.179 0.000 2.552 11 L HA 0.102 4.442 4.340 0.000 0.000 0.227 11 L C 0.743 177.535 176.870 -0.130 0.000 1.146 11 L CA 0.516 55.243 54.840 -0.189 0.000 0.858 11 L CB -0.258 41.719 42.059 -0.137 0.000 0.969 11 L HN 0.279 nan 8.230 nan 0.000 0.451 12 M N -0.428 119.180 119.600 0.014 0.000 2.367 12 M HA 0.350 4.830 4.480 0.000 0.000 0.339 12 M C 1.079 177.448 176.300 0.114 0.000 1.177 12 M CA -0.180 55.148 55.300 0.047 0.000 1.068 12 M CB 0.635 33.259 32.600 0.040 0.000 1.602 12 M HN 0.116 nan 8.290 nan 0.000 0.457 13 G N 1.673 110.535 108.800 0.103 0.000 2.272 13 G HA2 -0.210 3.750 3.960 0.000 0.000 0.280 13 G HA3 -0.210 3.750 3.960 0.000 0.000 0.280 13 G C -0.943 174.031 174.900 0.123 0.000 1.067 13 G CA -0.262 44.889 45.100 0.085 0.000 0.902 13 G HN 0.683 nan 8.290 nan 0.000 0.500 14 W N 0.043 121.269 121.300 -0.124 0.000 2.316 14 W HA 0.533 5.193 4.660 0.000 0.000 0.321 14 W C 0.610 177.067 176.519 -0.102 0.000 1.203 14 W CA -0.662 56.596 57.345 -0.144 0.000 1.214 14 W CB 0.754 30.116 29.460 -0.164 0.000 1.169 14 W HN 0.307 nan 8.180 nan 0.000 0.561 15 D N 2.210 122.624 120.400 0.024 0.000 2.424 15 D HA -0.014 4.626 4.640 0.000 0.000 0.244 15 D C 1.520 177.853 176.300 0.055 0.000 1.134 15 D CA 0.208 54.209 54.000 0.001 0.000 0.881 15 D CB 1.038 41.795 40.800 -0.072 0.000 1.191 15 D HN 0.475 nan 8.370 nan 0.000 0.445 16 K N 3.351 123.775 120.400 0.040 0.000 2.218 16 K HA -0.247 4.073 4.320 0.000 0.000 0.205 16 K C 1.600 178.204 176.600 0.006 0.000 1.046 16 K CA 0.986 57.294 56.287 0.036 0.000 0.933 16 K CB 0.023 32.543 32.500 0.033 0.000 0.728 16 K HN 0.291 nan 8.250 nan 0.000 0.454 17 K N 0.977 121.374 120.400 -0.005 0.000 2.155 17 K HA -0.119 4.201 4.320 0.000 0.000 0.203 17 K C 1.045 177.626 176.600 -0.030 0.000 1.052 17 K CA 1.445 57.718 56.287 -0.023 0.000 0.948 17 K CB 0.111 32.596 32.500 -0.025 0.000 0.728 17 K HN 0.187 nan 8.250 nan 0.000 0.448 18 D N 0.779 121.177 120.400 -0.002 0.000 2.234 18 D HA -0.048 4.592 4.640 0.000 0.000 0.205 18 D C 1.906 178.312 176.300 0.177 0.000 0.962 18 D CA 0.655 54.679 54.000 0.039 0.000 0.855 18 D CB 0.107 40.859 40.800 -0.081 0.000 0.951 18 D HN 0.285 nan 8.370 nan 0.000 0.500 19 I N 1.296 121.955 120.570 0.149 0.000 2.315 19 I HA -0.208 3.962 4.170 0.000 0.000 0.248 19 I C 2.499 178.494 176.117 -0.203 0.000 1.117 19 I CA 0.684 62.015 61.300 0.052 0.000 1.404 19 I CB -0.157 37.854 38.000 0.018 0.000 1.071 19 I HN -0.094 nan 8.210 nan 0.000 0.419 20 A N -0.287 122.316 122.820 -0.362 0.000 1.933 20 A HA -0.214 4.106 4.320 0.000 0.000 0.218 20 A C 0.992 178.378 177.584 -0.330 0.000 1.175 20 A CA 1.760 53.395 52.037 -0.670 0.000 0.628 20 A CB -0.226 18.585 19.000 -0.315 0.000 0.814 20 A HN 0.429 nan 8.150 nan 0.000 0.444 21 D N -2.286 118.035 120.400 -0.131 0.000 2.364 21 D HA 0.268 4.909 4.640 0.000 0.000 0.251 21 D C -2.097 174.152 176.300 -0.084 0.000 1.282 21 D CA -1.499 52.479 54.000 -0.037 0.000 0.927 21 D CB 1.392 42.206 40.800 0.023 0.000 1.267 21 D HN 0.052 nan 8.370 nan 0.000 0.531 22 P HA -0.087 nan 4.420 nan 0.000 0.227 22 P C 1.004 177.878 177.300 -0.711 0.000 1.161 22 P CA 0.388 63.206 63.100 -0.470 0.000 0.788 22 P CB 0.274 31.463 31.700 -0.851 0.000 0.822 23 Y N 1.070 121.276 120.300 -0.157 0.000 2.207 23 Y HA -0.079 4.471 4.550 0.000 0.000 0.287 23 Y C -0.215 175.715 175.900 0.050 0.000 1.156 23 Y CA 1.617 59.732 58.100 0.025 0.000 1.182 23 Y CB -2.558 35.920 38.460 0.031 0.000 0.979 23 Y HN 0.187 nan 8.280 nan 0.000 0.521 24 P HA -0.104 nan 4.420 nan 0.000 0.223 24 P C 1.648 178.987 177.300 0.064 0.000 1.151 24 P CA 1.134 64.288 63.100 0.089 0.000 0.787 24 P CB 0.119 31.848 31.700 0.049 0.000 0.788 25 V N -1.507 118.401 119.914 -0.011 0.000 2.323 25 V HA -0.237 3.883 4.120 0.000 0.000 0.244 25 V C 2.023 178.275 176.094 0.264 0.000 1.041 25 V CA 1.710 64.028 62.300 0.030 0.000 1.025 25 V CB -1.376 30.348 31.823 -0.166 0.000 0.656 25 V HN 0.030 nan 8.190 nan 0.000 0.451 26 Y N 0.648 121.135 120.300 0.311 0.000 2.181 26 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 26 Y C 2.656 178.720 175.900 0.274 0.000 1.146 26 Y CA 1.575 59.900 58.100 0.376 0.000 1.164 26 Y CB -0.864 37.781 38.460 0.308 0.000 0.982 26 Y HN 0.131 nan 8.280 nan 0.000 0.515 27 R N 0.633 121.350 120.500 0.361 0.000 2.096 27 R HA -0.198 4.142 4.340 0.000 0.000 0.240 27 R C 2.338 178.710 176.300 0.120 0.000 1.139 27 R CA 1.811 58.044 56.100 0.222 0.000 0.952 27 R CB -0.156 30.248 30.300 0.173 0.000 0.854 27 R HN 0.281 nan 8.270 nan 0.000 0.436 28 R N -1.010 119.541 120.500 0.085 0.000 2.091 28 R HA -0.181 4.159 4.340 0.000 0.000 0.238 28 R C 2.241 178.445 176.300 -0.159 0.000 1.136 28 R CA 1.953 58.028 56.100 -0.043 0.000 0.959 28 R CB -0.450 29.795 30.300 -0.091 0.000 0.856 28 R HN 0.341 nan 8.270 nan 0.000 0.437 29 Y N 0.214 120.363 120.300 -0.252 0.000 2.220 29 Y HA -0.112 4.438 4.550 0.000 0.000 0.291 29 Y C 2.631 178.240 175.900 -0.485 0.000 1.129 29 Y CA 1.235 58.962 58.100 -0.621 0.000 1.161 29 Y CB -0.191 37.446 38.460 -1.373 0.000 0.997 29 Y HN -0.031 nan 8.280 nan 0.000 0.522 30 R N 0.648 121.027 120.500 -0.202 0.000 2.096 30 R HA -0.184 4.156 4.340 0.000 0.000 0.235 30 R C 1.812 178.132 176.300 0.033 0.000 1.127 30 R CA 1.855 57.949 56.100 -0.010 0.000 0.968 30 R CB -0.121 30.288 30.300 0.182 0.000 0.861 30 R HN 0.423 nan 8.270 nan 0.000 0.440 31 E N -0.502 119.709 120.200 0.019 0.000 2.152 31 E HA -0.122 4.228 4.350 0.000 0.000 0.192 31 E C 1.834 178.429 176.600 -0.007 0.000 0.983 31 E CA 0.877 57.286 56.400 0.014 0.000 0.818 31 E CB 0.034 29.739 29.700 0.008 0.000 0.758 31 E HN 0.433 nan 8.360 nan 0.000 0.467 32 A N 1.178 123.983 122.820 -0.024 0.000 1.872 32 A HA 0.252 4.572 4.320 0.000 0.000 0.214 32 A C 1.079 178.648 177.584 -0.025 0.000 1.187 32 A CA 1.261 53.285 52.037 -0.023 0.000 0.614 32 A CB 0.133 19.115 19.000 -0.030 0.000 0.826 32 A HN 0.225 nan 8.150 nan 0.000 0.442 33 A N -2.348 120.465 122.820 -0.012 0.000 2.582 33 A HA 0.570 4.890 4.320 0.000 0.000 0.297 33 A C -2.364 175.200 177.584 -0.033 0.000 1.059 33 A CA -0.375 51.597 52.037 -0.108 0.000 0.705 33 A CB 0.399 19.209 19.000 -0.317 0.000 1.279 33 A HN -0.043 nan 8.150 nan 0.000 0.404 34 P HA -0.026 nan 4.420 nan 0.000 0.217 34 P C 0.394 177.863 177.300 0.282 0.000 1.150 34 P CA 1.342 64.536 63.100 0.157 0.000 0.832 34 P CB 0.127 31.895 31.700 0.113 0.000 0.787 35 V N 0.325 120.367 119.914 0.214 0.000 2.735 35 V HA 0.372 4.492 4.120 0.000 0.000 0.310 35 V C -0.278 175.903 176.094 0.145 0.000 1.061 35 V CA -0.764 61.713 62.300 0.294 0.000 0.913 35 V CB 2.182 34.160 31.823 0.259 0.000 1.005 35 V HN 0.128 nan 8.190 nan 0.000 0.428 36 H N 3.275 122.522 119.070 0.296 0.000 2.589 36 H HA 0.475 5.032 4.556 0.000 0.000 0.351 36 H C -0.540 174.835 175.328 0.079 0.000 1.074 36 H CA -0.664 55.521 56.048 0.227 0.000 1.203 36 H CB 2.514 32.477 29.762 0.336 0.000 1.558 36 H HN 0.571 nan 8.280 nan 0.000 0.522 37 R N 2.030 122.504 120.500 -0.044 0.000 2.312 37 R HA 0.300 4.640 4.340 0.000 0.000 0.311 37 R C -0.980 175.285 176.300 -0.059 0.000 1.004 37 R CA -0.300 55.592 56.100 -0.347 0.000 0.902 37 R CB 0.801 30.785 30.300 -0.526 0.000 1.073 37 R HN 0.477 nan 8.270 nan 0.000 0.457 38 T N 3.677 118.196 114.554 -0.059 0.000 2.912 38 T HA 0.379 4.729 4.350 0.000 0.000 0.326 38 T C -0.437 174.251 174.700 -0.019 0.000 1.080 38 T CA -0.420 61.727 62.100 0.080 0.000 1.000 38 T CB 1.249 70.289 68.868 0.288 0.000 1.008 38 T HN 0.767 nan 8.240 nan 0.000 0.473 39 A N 2.837 125.645 122.820 -0.020 0.000 2.483 39 A HA 0.470 4.790 4.320 0.000 0.000 0.238 39 A C 1.508 179.101 177.584 0.015 0.000 1.070 39 A CA -0.181 51.846 52.037 -0.017 0.000 0.770 39 A CB 0.309 19.311 19.000 0.003 0.000 1.008 39 A HN 0.723 nan 8.150 nan 0.000 0.497 40 S N 0.614 116.326 115.700 0.020 0.000 2.294 40 S HA 0.463 4.933 4.470 0.000 0.000 0.203 40 S C 1.279 175.901 174.600 0.037 0.000 1.022 40 S CA 1.637 59.860 58.200 0.038 0.000 0.955 40 S CB -0.185 63.046 63.200 0.051 0.000 0.943 40 S HN 1.964 nan 8.310 nan 0.000 0.472 41 G N 0.815 109.638 108.800 0.037 0.000 2.011 41 G HA2 0.008 3.968 3.960 0.000 0.000 0.054 41 G HA3 0.008 3.968 3.960 0.000 0.000 0.054 41 G C -2.645 172.276 174.900 0.034 0.000 0.853 41 G CA -0.266 44.854 45.100 0.034 0.000 1.135 41 G HN 0.386 nan 8.290 nan 0.000 0.372 42 P HA 0.312 nan 4.420 nan 0.000 0.258 42 P C 0.924 178.245 177.300 0.034 0.000 1.563 42 P CA 1.822 64.940 63.100 0.030 0.000 1.241 42 P CB -0.117 31.598 31.700 0.026 0.000 1.811 43 G N 1.754 110.577 108.800 0.038 0.000 2.175 43 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 43 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 43 G C 0.391 175.323 174.900 0.053 0.000 0.982 43 G CA 0.079 45.205 45.100 0.042 0.000 0.641 43 G HN 0.515 nan 8.290 nan 0.000 0.527 44 K N -0.953 119.480 120.400 0.056 0.000 2.004 44 K HA -0.196 4.124 4.320 0.000 0.000 0.330 44 K C -1.482 175.170 176.600 0.087 0.000 1.691 44 K CA 1.345 57.674 56.287 0.070 0.000 0.727 44 K CB -2.529 30.017 32.500 0.076 0.000 0.956 44 K HN 0.667 nan 8.250 nan 0.000 0.826 45 P HA 0.188 nan 4.420 nan 0.000 0.269 45 P C -0.546 176.820 177.300 0.109 0.000 1.215 45 P CA 0.185 63.373 63.100 0.146 0.000 0.780 45 P CB 0.419 32.262 31.700 0.237 0.000 0.898 46 D N 0.509 120.959 120.400 0.083 0.000 2.340 46 D HA 0.371 5.011 4.640 0.000 0.000 0.251 46 D C 0.000 176.251 176.300 -0.083 0.000 1.080 46 D CA 0.135 54.123 54.000 -0.020 0.000 0.971 46 D CB 0.892 41.636 40.800 -0.095 0.000 1.137 46 D HN 0.252 nan 8.370 nan 0.000 0.475 47 T N 0.712 115.130 114.554 -0.228 0.000 2.856 47 T HA 0.465 4.815 4.350 0.000 0.000 0.283 47 T C -0.855 173.541 174.700 -0.507 0.000 1.008 47 T CA -0.494 61.413 62.100 -0.321 0.000 0.997 47 T CB 0.611 69.280 68.868 -0.332 0.000 0.992 47 T HN 0.116 nan 8.240 nan 0.000 0.454 48 Y N 1.091 121.144 120.300 -0.412 0.000 2.331 48 Y HA 0.485 5.036 4.550 0.000 0.000 0.334 48 Y C -0.718 174.916 175.900 -0.443 0.000 0.960 48 Y CA -1.222 56.693 58.100 -0.308 0.000 1.130 48 Y CB 1.060 39.371 38.460 -0.249 0.000 1.164 48 Y HN 0.585 nan 8.280 nan 0.000 0.458 49 Y N 2.086 122.410 120.300 0.040 0.000 2.326 49 Y HA 0.528 5.078 4.550 0.000 0.000 0.337 49 Y C -0.243 175.590 175.900 -0.111 0.000 1.023 49 Y CA -1.061 56.956 58.100 -0.137 0.000 1.143 49 Y CB 1.180 39.481 38.460 -0.266 0.000 1.183 49 Y HN 0.251 nan 8.280 nan 0.000 0.485 50 V N 5.240 125.056 119.914 -0.163 0.000 2.328 50 V HA 0.142 4.263 4.120 0.000 0.000 0.278 50 V C -0.156 175.801 176.094 -0.228 0.000 1.021 50 V CA -0.433 61.828 62.300 -0.066 0.000 0.838 50 V CB 0.407 32.179 31.823 -0.083 0.000 0.999 50 V HN 0.738 nan 8.190 nan 0.000 0.447 51 F N 1.106 121.049 119.950 -0.012 0.000 2.714 51 F HA 0.160 4.688 4.527 0.000 0.000 0.294 51 F C 1.502 177.311 175.800 0.016 0.000 1.120 51 F CA 0.182 58.164 58.000 -0.029 0.000 1.398 51 F CB 0.160 39.181 39.000 0.035 0.000 1.120 51 F HN 0.379 nan 8.300 nan 0.000 0.589 52 T N -0.100 114.576 114.554 0.204 0.000 2.882 52 T HA 0.035 4.385 4.350 0.000 0.000 0.287 52 T C 0.702 175.475 174.700 0.122 0.000 0.992 52 T CA -0.257 61.945 62.100 0.169 0.000 1.076 52 T CB 1.048 70.004 68.868 0.148 0.000 0.961 52 T HN 0.176 nan 8.240 nan 0.000 0.490 53 Y N 2.980 123.324 120.300 0.073 0.000 2.097 53 Y HA -0.235 4.315 4.550 0.000 0.000 0.282 53 Y C 2.009 177.927 175.900 0.029 0.000 1.152 53 Y CA 1.956 60.094 58.100 0.063 0.000 1.136 53 Y CB -0.033 38.467 38.460 0.066 0.000 0.975 53 Y HN 0.646 nan 8.280 nan 0.000 0.498 54 D N 0.004 120.490 120.400 0.145 0.000 2.117 54 D HA -0.173 4.467 4.640 0.000 0.000 0.197 54 D C 1.745 178.021 176.300 -0.039 0.000 0.987 54 D CA 1.621 55.651 54.000 0.050 0.000 0.829 54 D CB -0.394 40.465 40.800 0.098 0.000 0.961 54 D HN 0.458 nan 8.370 nan 0.000 0.460 55 D N -0.070 120.322 120.400 -0.014 0.000 2.178 55 D HA -0.069 4.571 4.640 0.000 0.000 0.202 55 D C 2.203 178.453 176.300 -0.082 0.000 0.974 55 D CA 0.237 54.219 54.000 -0.029 0.000 0.841 55 D CB 0.068 40.876 40.800 0.014 0.000 0.953 55 D HN 0.056 nan 8.370 nan 0.000 0.478 56 V N 0.579 120.418 119.914 -0.126 0.000 2.427 56 V HA -0.172 3.948 4.120 0.000 0.000 0.248 56 V C 2.580 178.557 176.094 -0.196 0.000 1.051 56 V CA 0.865 63.062 62.300 -0.172 0.000 1.048 56 V CB -0.149 31.550 31.823 -0.208 0.000 0.666 56 V HN 0.053 nan 8.190 nan 0.000 0.456 57 V N -0.257 119.503 119.914 -0.257 0.000 2.427 57 V HA -0.225 3.895 4.120 0.000 0.000 0.248 57 V C 2.541 178.568 176.094 -0.111 0.000 1.051 57 V CA 1.919 64.091 62.300 -0.213 0.000 1.048 57 V CB -0.707 30.968 31.823 -0.247 0.000 0.666 57 V HN 0.470 nan 8.190 nan 0.000 0.456 58 R N -0.547 119.897 120.500 -0.093 0.000 2.075 58 R HA -0.104 4.236 4.340 0.000 0.000 0.232 58 R C 2.236 178.495 176.300 -0.068 0.000 1.126 58 R CA 1.329 57.392 56.100 -0.062 0.000 0.963 58 R CB -0.504 29.767 30.300 -0.049 0.000 0.858 58 R HN 0.386 nan 8.270 nan 0.000 0.435 59 V N 0.978 120.840 119.914 -0.087 0.000 2.261 59 V HA -0.217 3.903 4.120 0.000 0.000 0.246 59 V C 2.030 178.076 176.094 -0.080 0.000 1.047 59 V CA 1.450 63.692 62.300 -0.097 0.000 1.015 59 V CB -0.371 31.380 31.823 -0.121 0.000 0.642 59 V HN 0.204 nan 8.190 nan 0.000 0.446 60 L N 0.942 122.121 121.223 -0.074 0.000 2.275 60 L HA -0.074 4.266 4.340 0.000 0.000 0.215 60 L C 2.335 179.198 176.870 -0.012 0.000 1.119 60 L CA 2.166 56.983 54.840 -0.037 0.000 0.790 60 L CB -0.756 41.281 42.059 -0.036 0.000 0.919 60 L HN 0.589 nan 8.230 nan 0.000 0.443 61 S N -2.847 112.837 115.700 -0.026 0.000 2.512 61 S HA 0.109 4.579 4.470 0.000 0.000 0.216 61 S C 0.939 175.531 174.600 -0.014 0.000 1.006 61 S CA -0.456 57.735 58.200 -0.014 0.000 0.915 61 S CB -0.354 62.836 63.200 -0.016 0.000 0.824 61 S HN 0.360 nan 8.310 nan 0.000 0.497 62 N N 2.648 121.334 118.700 -0.024 0.000 2.431 62 N HA 0.142 4.882 4.740 0.000 0.000 0.265 62 N C 0.773 176.277 175.510 -0.010 0.000 1.184 62 N CA -0.062 52.975 53.050 -0.022 0.000 0.943 62 N CB 0.536 38.997 38.487 -0.043 0.000 1.080 62 N HN 0.352 nan 8.380 nan 0.000 0.477 63 R N 2.843 123.352 120.500 0.014 0.000 2.235 63 R HA 0.071 4.411 4.340 0.000 0.000 0.213 63 R C 1.055 177.401 176.300 0.076 0.000 1.059 63 R CA 0.398 56.525 56.100 0.046 0.000 0.997 63 R CB 0.292 30.625 30.300 0.055 0.000 0.884 63 R HN 0.435 nan 8.270 nan 0.000 0.462 64 R N 0.687 121.215 120.500 0.046 0.000 2.323 64 R HA 0.131 4.472 4.340 0.000 0.000 0.198 64 R C 0.183 176.419 176.300 -0.106 0.000 0.988 64 R CA 0.390 56.536 56.100 0.075 0.000 1.041 64 R CB 0.080 30.415 30.300 0.057 0.000 0.926 64 R HN 0.153 nan 8.270 nan 0.000 0.476 65 L N 0.631 121.739 121.223 -0.191 0.000 2.295 65 L HA 0.390 4.730 4.340 0.000 0.000 0.281 65 L C 0.537 177.175 176.870 -0.387 0.000 1.018 65 L CA -0.634 53.999 54.840 -0.346 0.000 0.841 65 L CB 1.867 43.810 42.059 -0.193 0.000 1.218 65 L HN -0.018 nan 8.230 nan 0.000 0.424 66 G N 2.031 110.342 108.800 -0.814 0.000 2.601 66 G HA2 0.409 4.369 3.960 0.000 0.000 0.317 66 G HA3 0.409 4.369 3.960 0.000 0.000 0.317 66 G C 0.661 175.550 174.900 -0.017 0.000 1.246 66 G CA -0.553 44.365 45.100 -0.304 0.000 1.012 66 G HN 0.623 nan 8.290 nan 0.000 0.494 67 R N -0.505 120.057 120.500 0.104 0.000 2.100 67 R HA 0.021 4.361 4.340 0.000 0.000 0.220 67 R C -0.085 176.383 176.300 0.279 0.000 1.091 67 R CA 0.366 56.561 56.100 0.158 0.000 0.986 67 R CB -0.634 29.666 30.300 -0.001 0.000 0.888 67 R HN 0.551 nan 8.270 nan 0.000 0.444 68 N N 2.120 120.914 118.700 0.157 0.000 2.438 68 N HA 0.268 5.008 4.740 0.000 0.000 0.282 68 N C -0.634 174.686 175.510 -0.317 0.000 1.037 68 N CA -0.207 52.808 53.050 -0.059 0.000 0.942 68 N CB 1.550 40.010 38.487 -0.045 0.000 1.136 68 N HN 0.158 nan 8.380 nan 0.000 0.481 69 A N 2.629 124.854 122.820 -0.992 0.000 2.532 69 A HA -0.094 4.226 4.320 0.000 0.000 0.269 69 A C 0.668 177.976 177.584 -0.459 0.000 1.079 69 A CA 0.116 51.394 52.037 -1.265 0.000 0.800 69 A CB -0.503 17.599 19.000 -1.497 0.000 1.000 69 A HN 0.722 nan 8.150 nan 0.000 0.522 70 R N 3.227 123.622 120.500 -0.174 0.000 2.265 70 R HA 0.643 4.983 4.340 0.000 0.000 0.328 70 R C -1.247 175.012 176.300 -0.067 0.000 0.969 70 R CA -0.135 55.908 56.100 -0.094 0.000 0.832 70 R CB 0.994 31.239 30.300 -0.093 0.000 1.139 70 R HN 0.637 nan 8.270 nan 0.000 0.457 89 A N 3.278 126.118 122.820 0.034 0.000 2.119 89 A HA -0.056 4.264 4.320 0.000 0.000 0.217 89 A C 1.458 179.060 177.584 0.031 0.000 1.153 89 A CA 1.076 53.142 52.037 0.048 0.000 0.692 89 A CB -0.163 18.884 19.000 0.078 0.000 0.799 89 A HN 0.558 nan 8.150 nan 0.000 0.458 90 L N -0.324 120.906 121.223 0.011 0.000 2.044 90 L HA 0.028 4.368 4.340 0.000 0.000 0.205 90 L C 2.309 179.111 176.870 -0.115 0.000 1.075 90 L CA 2.142 56.960 54.840 -0.037 0.000 0.747 90 L CB -0.622 41.430 42.059 -0.012 0.000 0.903 90 L HN 0.384 nan 8.230 nan 0.000 0.435 91 R N -1.323 119.130 120.500 -0.078 0.000 2.120 91 R HA -0.134 4.206 4.340 0.000 0.000 0.234 91 R C 1.927 178.156 176.300 -0.117 0.000 1.123 91 R CA 1.937 57.971 56.100 -0.109 0.000 0.975 91 R CB -0.260 30.003 30.300 -0.062 0.000 0.866 91 R HN 0.440 nan 8.270 nan 0.000 0.446 92 T N -0.606 113.907 114.554 -0.068 0.000 2.896 92 T HA -0.025 4.325 4.350 0.000 0.000 0.263 92 T C 1.699 176.365 174.700 -0.058 0.000 1.050 92 T CA 0.935 63.012 62.100 -0.039 0.000 1.140 92 T CB 0.026 68.899 68.868 0.009 0.000 0.877 92 T HN -0.001 nan 8.240 nan 0.000 0.457 93 V N 0.897 120.759 119.914 -0.086 0.000 2.307 93 V HA -0.070 4.050 4.120 0.000 0.000 0.245 93 V C 2.487 178.313 176.094 -0.446 0.000 1.045 93 V CA 1.292 63.536 62.300 -0.094 0.000 1.024 93 V CB -0.249 31.567 31.823 -0.013 0.000 0.651 93 V HN 0.278 nan 8.190 nan 0.000 0.449 94 V N 0.908 120.389 119.914 -0.721 0.000 3.041 94 V HA -0.137 3.983 4.120 0.000 0.000 0.260 94 V C 2.439 178.208 176.094 -0.542 0.000 1.105 94 V CA 1.769 63.354 62.300 -1.191 0.000 1.125 94 V CB -0.331 30.942 31.823 -0.917 0.000 0.730 94 V HN 0.881 nan 8.190 nan 0.000 0.479 95 E N 1.217 121.248 120.200 -0.282 0.000 2.268 95 E HA -0.202 4.148 4.350 0.000 0.000 0.195 95 E C 1.088 177.690 176.600 0.004 0.000 0.995 95 E CA 1.466 57.797 56.400 -0.116 0.000 0.836 95 E CB -0.378 29.277 29.700 -0.075 0.000 0.763 95 E HN 0.764 nan 8.360 nan 0.000 0.491 96 N N -0.370 118.373 118.700 0.070 0.000 2.214 96 N HA 0.013 4.754 4.740 0.000 0.000 0.214 96 N C -1.015 174.672 175.510 0.295 0.000 1.132 96 N CA -0.379 52.762 53.050 0.152 0.000 0.856 96 N CB -0.282 38.317 38.487 0.186 0.000 1.020 96 N HN 0.098 nan 8.380 nan 0.000 0.509 97 W N 1.336 122.668 121.300 0.053 0.000 2.469 97 W HA 0.166 4.826 4.660 0.000 0.000 0.321 97 W C 1.424 177.945 176.519 0.004 0.000 1.415 97 W CA -1.345 55.977 57.345 -0.037 0.000 1.308 97 W CB 0.203 29.494 29.460 -0.283 0.000 1.368 97 W HN 0.050 nan 8.180 nan 0.000 0.546 98 L N 4.993 126.403 121.223 0.311 0.000 2.129 98 L HA -0.207 4.133 4.340 0.000 0.000 0.212 98 L C 1.886 178.888 176.870 0.219 0.000 1.087 98 L CA 1.752 56.742 54.840 0.251 0.000 0.757 98 L CB -0.846 41.335 42.059 0.202 0.000 0.896 98 L HN 0.335 nan 8.230 nan 0.000 0.434 99 V N -1.165 118.819 119.914 0.116 0.000 3.305 99 V HA -0.147 3.973 4.120 0.000 0.000 0.269 99 V C 1.261 177.213 176.094 -0.236 0.000 1.157 99 V CA 1.039 63.269 62.300 -0.117 0.000 1.157 99 V CB -0.642 31.038 31.823 -0.239 0.000 0.772 99 V HN 0.450 nan 8.190 nan 0.000 0.498 100 F N -0.618 119.377 119.950 0.076 0.000 2.682 100 F HA 0.446 4.973 4.527 0.000 0.000 0.308 100 F C 0.567 176.361 175.800 -0.010 0.000 1.093 100 F CA -0.673 57.342 58.000 0.024 0.000 1.244 100 F CB 0.061 39.078 39.000 0.028 0.000 1.052 100 F HN -0.020 nan 8.300 nan 0.000 0.573 101 L N 0.128 121.443 121.223 0.154 0.000 2.334 101 L HA 0.426 4.766 4.340 0.000 0.000 0.275 101 L C -0.188 176.745 176.870 0.105 0.000 1.036 101 L CA -0.830 54.078 54.840 0.114 0.000 0.807 101 L CB 0.938 43.040 42.059 0.072 0.000 1.231 101 L HN -0.182 nan 8.230 nan 0.000 0.438 102 D N 1.900 122.393 120.400 0.155 0.000 2.229 102 D HA 0.225 4.865 4.640 0.000 0.000 0.249 102 D C -1.565 174.908 176.300 0.289 0.000 1.027 102 D CA -1.535 52.575 54.000 0.183 0.000 0.923 102 D CB 1.867 42.789 40.800 0.203 0.000 1.174 102 D HN 0.186 nan 8.370 nan 0.000 0.443 103 P HA -0.265 nan 4.420 nan 0.000 0.235 103 P C -1.620 175.849 177.300 0.282 0.000 1.116 103 P CA 2.458 65.752 63.100 0.323 0.000 0.991 103 P CB -0.718 31.109 31.700 0.211 0.000 0.764 104 P HA -0.199 nan 4.420 nan 0.000 0.205 104 P C 1.601 179.030 177.300 0.216 0.000 1.193 104 P CA 1.606 64.808 63.100 0.170 0.000 0.929 104 P CB -0.639 31.139 31.700 0.130 0.000 0.772 105 H N -1.132 118.017 119.070 0.132 0.000 2.352 105 H HA -0.202 4.354 4.556 0.000 0.000 0.299 105 H C 2.062 177.485 175.328 0.158 0.000 1.097 105 H CA 1.796 57.919 56.048 0.125 0.000 1.311 105 H CB -1.104 28.734 29.762 0.127 0.000 1.377 105 H HN 0.259 nan 8.280 nan 0.000 0.504 106 H N -0.158 119.085 119.070 0.289 0.000 2.352 106 H HA -0.103 4.453 4.556 0.000 0.000 0.299 106 H C 1.445 176.881 175.328 0.179 0.000 1.097 106 H CA 1.981 58.160 56.048 0.218 0.000 1.311 106 H CB 0.122 30.031 29.762 0.244 0.000 1.377 106 H HN 0.359 nan 8.280 nan 0.000 0.504 107 T N 0.517 115.112 114.554 0.068 0.000 2.708 107 T HA -0.186 4.165 4.350 0.000 0.000 0.266 107 T C 1.870 176.545 174.700 -0.042 0.000 1.037 107 T CA 1.715 63.793 62.100 -0.037 0.000 1.146 107 T CB -0.250 68.650 68.868 0.052 0.000 0.865 107 T HN 0.471 nan 8.240 nan 0.000 0.435 108 E N 0.757 120.974 120.200 0.028 0.000 2.077 108 E HA -0.124 4.226 4.350 0.000 0.000 0.193 108 E C 2.039 178.657 176.600 0.030 0.000 0.989 108 E CA 0.887 57.303 56.400 0.027 0.000 0.800 108 E CB -0.421 29.298 29.700 0.033 0.000 0.746 108 E HN 0.314 nan 8.360 nan 0.000 0.452 109 L N 0.892 122.155 121.223 0.068 0.000 2.044 109 L HA 0.000 4.340 4.340 0.000 0.000 0.205 109 L C 2.501 179.365 176.870 -0.009 0.000 1.075 109 L CA 1.902 56.784 54.840 0.070 0.000 0.747 109 L CB -0.640 41.510 42.059 0.151 0.000 0.903 109 L HN 0.101 nan 8.230 nan 0.000 0.435 110 R N -0.915 119.511 120.500 -0.123 0.000 2.083 110 R HA -0.155 4.185 4.340 0.000 0.000 0.237 110 R C 2.192 178.459 176.300 -0.055 0.000 1.137 110 R CA 1.799 57.820 56.100 -0.131 0.000 0.951 110 R CB -0.306 29.813 30.300 -0.302 0.000 0.851 110 R HN 0.438 nan 8.270 nan 0.000 0.434 111 S N 1.250 116.916 115.700 -0.056 0.000 2.402 111 S HA -0.179 4.291 4.470 0.000 0.000 0.233 111 S C 1.698 176.294 174.600 -0.006 0.000 1.030 111 S CA 1.204 59.389 58.200 -0.024 0.000 1.003 111 S CB -0.367 62.821 63.200 -0.021 0.000 0.813 111 S HN 0.289 nan 8.310 nan 0.000 0.477 112 L N 1.862 123.085 121.223 0.000 0.000 1.955 112 L HA -0.060 4.280 4.340 0.000 0.000 0.213 112 L C 1.653 178.531 176.870 0.012 0.000 1.072 112 L CA 1.925 56.770 54.840 0.009 0.000 0.755 112 L CB -0.711 41.361 42.059 0.022 0.000 0.888 112 L HN 0.222 nan 8.230 nan 0.000 0.432 113 L N -0.894 120.350 121.223 0.034 0.000 2.558 113 L HA 0.022 4.362 4.340 0.000 0.000 0.225 113 L C 2.435 179.375 176.870 0.116 0.000 1.128 113 L CA 1.295 56.175 54.840 0.067 0.000 0.868 113 L CB -2.391 39.752 42.059 0.141 0.000 1.006 113 L HN 0.405 nan 8.230 nan 0.000 0.454 114 T N 0.585 115.188 114.554 0.081 0.000 2.699 114 T HA -0.189 4.161 4.350 0.000 0.000 0.268 114 T C 1.773 176.518 174.700 0.075 0.000 1.036 114 T CA 2.416 64.571 62.100 0.093 0.000 1.147 114 T CB -0.001 68.891 68.868 0.040 0.000 0.862 114 T HN 0.499 nan 8.240 nan 0.000 0.446 115 T N 0.569 115.134 114.554 0.018 0.000 3.035 115 T HA 0.053 4.403 4.350 0.000 0.000 0.268 115 T C 1.530 176.193 174.700 -0.062 0.000 1.109 115 T CA 0.563 62.656 62.100 -0.013 0.000 1.119 115 T CB -0.111 68.742 68.868 -0.026 0.000 0.900 115 T HN 0.367 nan 8.240 nan 0.000 0.503 116 E N 0.438 120.564 120.200 -0.123 0.000 2.511 116 E HA 0.121 4.471 4.350 0.000 0.000 0.196 116 E C 0.037 176.299 176.600 -0.563 0.000 1.066 116 E CA 0.374 56.577 56.400 -0.328 0.000 0.871 116 E CB -0.097 29.351 29.700 -0.420 0.000 0.863 116 E HN 0.593 nan 8.360 nan 0.000 0.520 117 F N 0.198 120.116 119.950 -0.053 0.000 2.791 117 F HA 0.103 4.630 4.527 0.000 0.000 0.316 117 F C 0.761 176.528 175.800 -0.055 0.000 1.134 117 F CA -0.608 57.356 58.000 -0.060 0.000 1.222 117 F CB 0.199 39.152 39.000 -0.077 0.000 1.034 117 F HN -0.233 nan 8.300 nan 0.000 0.516 118 S N -0.319 115.413 115.700 0.052 0.000 2.589 118 S HA 0.177 4.648 4.470 0.000 0.000 0.265 118 S C -1.691 172.919 174.600 0.017 0.000 1.342 118 S CA -0.879 57.337 58.200 0.027 0.000 1.005 118 S CB 1.026 64.224 63.200 -0.004 0.000 0.909 118 S HN -0.052 nan 8.310 nan 0.000 0.555 119 P HA -0.104 nan 4.420 nan 0.000 0.219 119 P C 1.768 179.066 177.300 -0.003 0.000 1.146 119 P CA 1.348 64.449 63.100 0.000 0.000 0.808 119 P CB -0.083 31.613 31.700 -0.006 0.000 0.779 120 S N -0.849 114.846 115.700 -0.009 0.000 2.343 120 S HA -0.165 4.305 4.470 0.000 0.000 0.219 120 S C 1.778 176.366 174.600 -0.020 0.000 1.033 120 S CA 1.361 59.552 58.200 -0.015 0.000 1.014 120 S CB -0.940 62.248 63.200 -0.020 0.000 0.915 120 S HN -0.127 nan 8.310 nan 0.000 0.435 121 I N 1.623 122.175 120.570 -0.031 0.000 2.226 121 I HA -0.093 4.078 4.170 0.000 0.000 0.245 121 I C 2.405 178.506 176.117 -0.026 0.000 1.100 121 I CA 0.886 62.158 61.300 -0.046 0.000 1.374 121 I CB -0.749 37.195 38.000 -0.093 0.000 1.057 121 I HN 0.178 nan 8.210 nan 0.000 0.413 122 V N -0.260 119.652 119.914 -0.004 0.000 2.343 122 V HA -0.293 3.827 4.120 0.000 0.000 0.247 122 V C 2.453 178.551 176.094 0.007 0.000 1.051 122 V CA 2.345 64.654 62.300 0.015 0.000 1.036 122 V CB -1.228 30.613 31.823 0.030 0.000 0.654 122 V HN 0.434 nan 8.190 nan 0.000 0.451 123 T N 0.620 115.176 114.554 0.002 0.000 2.720 123 T HA -0.151 4.199 4.350 0.000 0.000 0.268 123 T C 1.815 176.515 174.700 0.001 0.000 1.037 123 T CA 1.747 63.849 62.100 0.003 0.000 1.144 123 T CB -0.598 68.270 68.868 -0.000 0.000 0.864 123 T HN 0.640 nan 8.240 nan 0.000 0.444 124 G N 0.375 109.173 108.800 -0.005 0.000 2.534 124 G HA2 -0.021 3.939 3.960 0.000 0.000 0.217 124 G HA3 -0.021 3.939 3.960 0.000 0.000 0.217 124 G C 1.390 176.287 174.900 -0.004 0.000 1.128 124 G CA 0.202 45.298 45.100 -0.006 0.000 0.784 124 G HN 0.415 nan 8.290 nan 0.000 0.542 125 L N 0.138 121.359 121.223 -0.003 0.000 2.375 125 L HA 0.331 4.671 4.340 0.000 0.000 0.215 125 L C 2.688 179.563 176.870 0.008 0.000 1.108 125 L CA 0.641 55.482 54.840 0.000 0.000 0.830 125 L CB -0.241 41.819 42.059 0.001 0.000 0.959 125 L HN 0.065 nan 8.230 nan 0.000 0.457 126 R N 0.168 120.675 120.500 0.012 0.000 2.119 126 R HA -0.190 4.150 4.340 0.000 0.000 0.246 126 R C -0.406 175.905 176.300 0.018 0.000 1.146 126 R CA 2.037 58.147 56.100 0.018 0.000 0.962 126 R CB -1.880 28.431 30.300 0.019 0.000 0.863 126 R HN 0.388 nan 8.270 nan 0.000 0.442 127 P HA -0.166 nan 4.420 nan 0.000 0.216 127 P C 0.922 178.230 177.300 0.014 0.000 1.150 127 P CA 1.140 64.249 63.100 0.015 0.000 0.837 127 P CB 0.053 31.759 31.700 0.010 0.000 0.786 128 R N 0.166 120.672 120.500 0.010 0.000 2.090 128 R HA -0.003 4.337 4.340 0.000 0.000 0.228 128 R C 2.089 178.393 176.300 0.007 0.000 1.110 128 R CA 1.359 57.463 56.100 0.007 0.000 0.973 128 R CB -1.583 28.718 30.300 0.003 0.000 0.869 128 R HN 0.138 nan 8.270 nan 0.000 0.440 129 I N 0.308 120.885 120.570 0.011 0.000 2.226 129 I HA -0.240 3.930 4.170 0.000 0.000 0.245 129 I C 2.234 178.364 176.117 0.022 0.000 1.100 129 I CA 1.430 62.736 61.300 0.011 0.000 1.374 129 I CB -0.459 37.552 38.000 0.019 0.000 1.057 129 I HN 0.267 nan 8.210 nan 0.000 0.413 130 A N 0.289 123.129 122.820 0.033 0.000 1.930 130 A HA -0.248 4.072 4.320 0.000 0.000 0.217 130 A C 2.325 179.937 177.584 0.047 0.000 1.175 130 A CA 1.788 53.854 52.037 0.049 0.000 0.627 130 A CB -0.590 18.436 19.000 0.044 0.000 0.815 130 A HN 0.513 nan 8.150 nan 0.000 0.443 131 E N -0.072 120.146 120.200 0.030 0.000 2.110 131 E HA -0.157 4.193 4.350 0.000 0.000 0.193 131 E C 1.881 178.494 176.600 0.022 0.000 0.988 131 E CA 1.081 57.496 56.400 0.024 0.000 0.804 131 E CB -0.204 29.504 29.700 0.014 0.000 0.745 131 E HN 0.628 nan 8.360 nan 0.000 0.458 132 L N 0.393 121.620 121.223 0.007 0.000 2.056 132 L HA -0.106 4.234 4.340 0.000 0.000 0.207 132 L C 2.719 179.593 176.870 0.007 0.000 1.078 132 L CA 1.003 55.832 54.840 -0.018 0.000 0.749 132 L CB -0.472 41.557 42.059 -0.049 0.000 0.901 132 L HN 0.208 nan 8.230 nan 0.000 0.433 133 A N -0.760 122.086 122.820 0.043 0.000 1.908 133 A HA -0.261 4.060 4.320 0.000 0.000 0.218 133 A C 2.551 180.287 177.584 0.255 0.000 1.181 133 A CA 2.186 54.325 52.037 0.170 0.000 0.627 133 A CB -0.798 18.340 19.000 0.228 0.000 0.818 133 A HN 0.376 nan 8.150 nan 0.000 0.445 134 S N -0.432 115.353 115.700 0.142 0.000 2.348 134 S HA -0.081 4.389 4.470 0.000 0.000 0.221 134 S C 2.227 176.884 174.600 0.095 0.000 1.033 134 S CA 1.760 60.024 58.200 0.106 0.000 1.010 134 S CB -0.565 62.674 63.200 0.065 0.000 0.891 134 S HN 0.881 nan 8.310 nan 0.000 0.442 135 A N 1.524 124.386 122.820 0.070 0.000 1.908 135 A HA -0.031 4.289 4.320 0.000 0.000 0.218 135 A C 2.140 179.771 177.584 0.078 0.000 1.181 135 A CA 1.605 53.673 52.037 0.053 0.000 0.627 135 A CB -0.939 18.073 19.000 0.020 0.000 0.818 135 A HN 0.520 nan 8.150 nan 0.000 0.445 136 L N -0.278 121.011 121.223 0.111 0.000 2.012 136 L HA -0.144 4.196 4.340 0.000 0.000 0.210 136 L C 2.509 179.506 176.870 0.212 0.000 1.073 136 L CA 1.567 56.509 54.840 0.171 0.000 0.748 136 L CB -1.012 41.175 42.059 0.214 0.000 0.891 136 L HN 0.416 nan 8.230 nan 0.000 0.431 137 L N -1.078 120.275 121.223 0.216 0.000 2.083 137 L HA -0.237 4.103 4.340 0.000 0.000 0.209 137 L C 2.252 179.156 176.870 0.057 0.000 1.083 137 L CA 1.116 56.013 54.840 0.094 0.000 0.752 137 L CB -0.672 41.401 42.059 0.023 0.000 0.899 137 L HN 0.290 nan 8.230 nan 0.000 0.433 138 D N 0.420 120.856 120.400 0.061 0.000 2.116 138 D HA -0.211 4.429 4.640 0.000 0.000 0.193 138 D C 2.197 178.523 176.300 0.044 0.000 0.998 138 D CA 1.609 55.635 54.000 0.043 0.000 0.836 138 D CB -0.116 40.709 40.800 0.041 0.000 0.951 138 D HN 0.487 nan 8.370 nan 0.000 0.449 139 R N 0.187 120.722 120.500 0.059 0.000 2.153 139 R HA 0.040 4.380 4.340 0.000 0.000 0.218 139 R C 2.334 178.666 176.300 0.054 0.000 1.072 139 R CA 0.288 56.422 56.100 0.056 0.000 0.990 139 R CB -0.637 29.703 30.300 0.065 0.000 0.889 139 R HN 0.088 nan 8.270 nan 0.000 0.452 140 L N 1.754 123.015 121.223 0.064 0.000 2.083 140 L HA -0.058 4.282 4.340 0.000 0.000 0.209 140 L C 2.216 179.099 176.870 0.022 0.000 1.083 140 L CA 1.617 56.487 54.840 0.050 0.000 0.752 140 L CB -0.181 41.910 42.059 0.052 0.000 0.899 140 L HN 0.083 nan 8.230 nan 0.000 0.433 141 R N -0.842 119.667 120.500 0.016 0.000 2.285 141 R HA 0.024 4.364 4.340 0.000 0.000 0.213 141 R C 1.427 177.733 176.300 0.011 0.000 1.068 141 R CA 0.742 56.846 56.100 0.006 0.000 1.004 141 R CB -0.333 29.969 30.300 0.003 0.000 0.873 141 R HN 0.385 nan 8.270 nan 0.000 0.467 142 A N 1.602 124.433 122.820 0.018 0.000 2.411 142 A HA 0.024 4.344 4.320 0.000 0.000 0.251 142 A C 0.073 177.667 177.584 0.017 0.000 1.317 142 A CA -0.241 51.806 52.037 0.018 0.000 0.904 142 A CB -0.109 18.904 19.000 0.022 0.000 0.993 142 A HN 0.308 nan 8.150 nan 0.000 0.504 143 Q N -1.172 118.638 119.800 0.015 0.000 2.345 143 Q HA 0.459 4.799 4.340 0.000 0.000 0.275 143 Q C 0.191 176.197 176.000 0.010 0.000 1.063 143 Q CA -1.067 54.745 55.803 0.014 0.000 0.819 143 Q CB 1.097 29.846 28.738 0.019 0.000 1.356 143 Q HN 0.325 nan 8.270 nan 0.000 0.418 144 R N 1.786 122.292 120.500 0.010 0.000 2.094 144 R HA -0.146 4.194 4.340 0.000 0.000 0.239 144 R C 0.813 177.118 176.300 0.008 0.000 1.137 144 R CA 1.537 57.641 56.100 0.008 0.000 0.943 144 R CB -0.261 30.044 30.300 0.007 0.000 0.850 144 R HN 0.661 nan 8.270 nan 0.000 0.433 145 R N 1.975 122.481 120.500 0.010 0.000 2.547 145 R HA 0.296 4.636 4.340 0.000 0.000 0.280 145 R C -2.633 173.674 176.300 0.013 0.000 1.630 145 R CA -1.799 54.308 56.100 0.011 0.000 1.470 145 R CB 1.333 31.641 30.300 0.013 0.000 1.178 145 R HN 0.065 nan 8.270 nan 0.000 0.591 146 P HA 0.063 nan 4.420 nan 0.000 0.272 146 P C -1.020 176.289 177.300 0.014 0.000 1.223 146 P CA -0.123 62.986 63.100 0.016 0.000 0.784 146 P CB 1.034 32.742 31.700 0.014 0.000 0.923 147 D N 1.996 122.409 120.400 0.021 0.000 2.373 147 D HA 0.131 4.771 4.640 0.000 0.000 0.227 147 D C 1.221 177.540 176.300 0.032 0.000 1.091 147 D CA -0.433 53.577 54.000 0.016 0.000 0.840 147 D CB 0.590 41.399 40.800 0.016 0.000 1.060 147 D HN 0.202 nan 8.370 nan 0.000 0.502 148 L N 3.102 124.335 121.223 0.017 0.000 2.275 148 L HA -0.100 4.241 4.340 0.000 0.000 0.215 148 L C 2.078 179.003 176.870 0.092 0.000 1.119 148 L CA 0.346 55.217 54.840 0.052 0.000 0.790 148 L CB -0.027 42.032 42.059 -0.001 0.000 0.919 148 L HN 0.340 nan 8.230 nan 0.000 0.443 149 V N -0.193 119.739 119.914 0.030 0.000 2.239 149 V HA -0.249 3.871 4.120 0.000 0.000 0.242 149 V C 2.384 178.510 176.094 0.052 0.000 1.038 149 V CA 1.814 64.125 62.300 0.018 0.000 1.002 149 V CB -0.380 31.420 31.823 -0.038 0.000 0.641 149 V HN 0.428 nan 8.190 nan 0.000 0.449 150 E N 0.123 120.351 120.200 0.046 0.000 2.204 150 E HA -0.134 4.216 4.350 0.000 0.000 0.194 150 E C 2.046 178.698 176.600 0.085 0.000 0.989 150 E CA 1.087 57.523 56.400 0.060 0.000 0.824 150 E CB -0.159 29.565 29.700 0.039 0.000 0.756 150 E HN 0.602 nan 8.360 nan 0.000 0.477 151 G N -1.069 107.794 108.800 0.105 0.000 2.939 151 G HA2 -0.029 3.931 3.960 0.000 0.000 0.210 151 G HA3 -0.029 3.931 3.960 0.000 0.000 0.210 151 G C 0.754 175.796 174.900 0.237 0.000 1.160 151 G CA 0.095 45.280 45.100 0.142 0.000 0.770 151 G HN 0.328 nan 8.290 nan 0.000 0.543 152 F N -0.837 119.134 119.950 0.035 0.000 1.827 152 F HA 0.375 4.902 4.527 0.000 0.000 0.264 152 F C 2.188 178.010 175.800 0.038 0.000 1.109 152 F CA 0.730 58.750 58.000 0.034 0.000 1.264 152 F CB -0.311 38.698 39.000 0.016 0.000 1.648 152 F HN 0.030 nan 8.300 nan 0.000 0.513 153 A N 0.902 123.809 122.820 0.146 0.000 1.933 153 A HA 0.079 4.399 4.320 0.000 0.000 0.218 153 A C 2.144 179.715 177.584 -0.022 0.000 1.175 153 A CA 2.202 54.261 52.037 0.038 0.000 0.628 153 A CB -1.372 17.679 19.000 0.086 0.000 0.814 153 A HN 0.555 nan 8.150 nan 0.000 0.444 154 A N -0.049 122.788 122.820 0.028 0.000 1.874 154 A HA 0.062 4.382 4.320 0.000 0.000 0.214 154 A C 0.354 178.018 177.584 0.133 0.000 1.189 154 A CA 1.334 53.441 52.037 0.116 0.000 0.615 154 A CB -1.175 17.923 19.000 0.163 0.000 0.830 154 A HN 0.495 nan 8.150 nan 0.000 0.443 155 P HA -0.090 nan 4.420 nan 0.000 0.221 155 P C 1.601 178.885 177.300 -0.026 0.000 1.150 155 P CA 0.740 63.891 63.100 0.085 0.000 0.800 155 P CB -0.072 31.720 31.700 0.152 0.000 0.787 156 L N 1.230 122.352 121.223 -0.168 0.000 2.017 156 L HA 0.001 4.341 4.340 0.000 0.000 0.208 156 L C -0.750 176.061 176.870 -0.100 0.000 1.073 156 L CA 2.633 57.334 54.840 -0.232 0.000 0.745 156 L CB -2.231 39.548 42.059 -0.467 0.000 0.894 156 L HN -0.023 nan 8.230 nan 0.000 0.432 157 P HA -0.130 nan 4.420 nan 0.000 0.217 157 P C 2.018 179.333 177.300 0.024 0.000 1.150 157 P CA 1.248 64.350 63.100 0.003 0.000 0.832 157 P CB -0.057 31.662 31.700 0.031 0.000 0.787 158 I N -1.065 119.532 120.570 0.045 0.000 2.163 158 I HA -0.203 3.967 4.170 0.000 0.000 0.243 158 I C 2.323 178.480 176.117 0.066 0.000 1.085 158 I CA 1.664 63.002 61.300 0.063 0.000 1.347 158 I CB -1.532 36.515 38.000 0.079 0.000 1.044 158 I HN -0.010 nan 8.210 nan 0.000 0.408 159 L N -0.108 121.133 121.223 0.030 0.000 2.083 159 L HA -0.181 4.159 4.340 0.000 0.000 0.209 159 L C 2.614 179.486 176.870 0.003 0.000 1.083 159 L CA 0.787 55.622 54.840 -0.008 0.000 0.752 159 L CB -0.479 41.516 42.059 -0.106 0.000 0.899 159 L HN 0.033 nan 8.230 nan 0.000 0.433 160 V N -0.474 119.441 119.914 0.001 0.000 2.323 160 V HA -0.256 3.864 4.120 0.000 0.000 0.244 160 V C 2.251 178.369 176.094 0.040 0.000 1.041 160 V CA 1.570 63.878 62.300 0.013 0.000 1.025 160 V CB -0.261 31.567 31.823 0.009 0.000 0.656 160 V HN 0.281 nan 8.190 nan 0.000 0.451 161 I N -0.001 120.601 120.570 0.054 0.000 2.493 161 I HA -0.151 4.020 4.170 0.000 0.000 0.254 161 I C 2.414 178.585 176.117 0.091 0.000 1.160 161 I CA 1.342 62.688 61.300 0.077 0.000 1.445 161 I CB -0.286 37.753 38.000 0.064 0.000 1.086 161 I HN 0.172 nan 8.210 nan 0.000 0.433 162 S N 0.388 116.149 115.700 0.101 0.000 2.402 162 S HA -0.046 4.424 4.470 0.000 0.000 0.229 162 S C 2.093 176.754 174.600 0.101 0.000 1.021 162 S CA 1.067 59.349 58.200 0.138 0.000 0.974 162 S CB -0.384 62.902 63.200 0.144 0.000 0.800 162 S HN 0.630 nan 8.310 nan 0.000 0.484 163 A N 0.324 123.181 122.820 0.062 0.000 2.119 163 A HA 0.174 4.494 4.320 0.000 0.000 0.216 163 A C 1.865 179.465 177.584 0.027 0.000 1.152 163 A CA 0.616 52.677 52.037 0.039 0.000 0.708 163 A CB -0.258 18.754 19.000 0.020 0.000 0.805 163 A HN 0.398 nan 8.150 nan 0.000 0.460 164 L N -0.913 120.327 121.223 0.029 0.000 2.341 164 L HA 0.209 4.549 4.340 0.000 0.000 0.214 164 L C 1.751 178.618 176.870 -0.004 0.000 1.115 164 L CA 1.241 56.077 54.840 -0.007 0.000 0.820 164 L CB -0.174 41.881 42.059 -0.007 0.000 0.944 164 L HN 0.371 nan 8.230 nan 0.000 0.452 165 L N -1.609 119.644 121.223 0.050 0.000 2.616 165 L HA 0.350 4.690 4.340 0.000 0.000 0.229 165 L C 1.427 178.351 176.870 0.091 0.000 1.110 165 L CA 0.567 55.454 54.840 0.079 0.000 0.884 165 L CB -0.227 41.929 42.059 0.162 0.000 1.115 165 L HN 0.343 nan 8.230 nan 0.000 0.481 166 G N 1.089 109.933 108.800 0.073 0.000 2.143 166 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 166 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 166 G C 0.313 175.263 174.900 0.082 0.000 0.991 166 G CA -0.139 44.998 45.100 0.060 0.000 0.689 166 G HN 0.255 nan 8.290 nan 0.000 0.522 167 I N 1.274 121.922 120.570 0.131 0.000 2.779 167 I HA 0.210 4.380 4.170 0.000 0.000 0.285 167 I C -1.467 174.726 176.117 0.127 0.000 1.134 167 I CA -1.861 59.536 61.300 0.163 0.000 1.398 167 I CB 0.804 38.966 38.000 0.270 0.000 1.404 167 I HN -0.088 nan 8.210 nan 0.000 0.587 168 P HA 0.049 nan 4.420 nan 0.000 0.271 168 P C 0.296 177.673 177.300 0.128 0.000 1.220 168 P CA -0.067 63.094 63.100 0.102 0.000 0.768 168 P CB 0.660 32.413 31.700 0.088 0.000 0.848 169 E N 2.719 122.976 120.200 0.096 0.000 2.070 169 E HA -0.297 4.053 4.350 0.000 0.000 0.197 169 E C 1.495 178.213 176.600 0.196 0.000 1.004 169 E CA 1.060 57.516 56.400 0.094 0.000 0.805 169 E CB -0.004 29.717 29.700 0.035 0.000 0.744 169 E HN 0.479 nan 8.360 nan 0.000 0.451 170 E N 0.485 120.787 120.200 0.169 0.000 2.331 170 E HA -0.210 4.140 4.350 0.000 0.000 0.199 170 E C 0.691 177.401 176.600 0.184 0.000 1.008 170 E CA 1.104 57.620 56.400 0.193 0.000 0.843 170 E CB -0.018 29.740 29.700 0.097 0.000 0.761 170 E HN 0.309 nan 8.360 nan 0.000 0.507 171 D N -0.349 120.163 120.400 0.185 0.000 2.349 171 D HA -0.103 4.537 4.640 0.000 0.000 0.224 171 D C 1.723 178.131 176.300 0.179 0.000 1.029 171 D CA 0.323 54.421 54.000 0.162 0.000 0.879 171 D CB -0.400 40.510 40.800 0.185 0.000 0.906 171 D HN 0.510 nan 8.370 nan 0.000 0.528 172 H N 0.208 119.336 119.070 0.098 0.000 2.422 172 H HA -0.103 4.453 4.556 0.000 0.000 0.298 172 H C 1.726 177.082 175.328 0.047 0.000 1.098 172 H CA 1.708 57.798 56.048 0.070 0.000 1.315 172 H CB -0.578 29.212 29.762 0.048 0.000 1.382 172 H HN 0.075 nan 8.280 nan 0.000 0.523 173 T N -0.966 113.263 114.554 -0.541 0.000 2.896 173 T HA -0.132 4.218 4.350 0.000 0.000 0.263 173 T C 1.796 176.417 174.700 -0.132 0.000 1.050 173 T CA 1.137 63.017 62.100 -0.368 0.000 1.140 173 T CB -0.587 68.041 68.868 -0.400 0.000 0.877 173 T HN 0.558 nan 8.240 nan 0.000 0.457 174 W N 0.910 122.076 121.300 -0.223 0.000 2.409 174 W HA 0.091 4.751 4.660 0.000 0.000 0.299 174 W C 1.654 178.029 176.519 -0.240 0.000 1.203 174 W CA 0.283 57.500 57.345 -0.215 0.000 1.298 174 W CB -0.462 28.869 29.460 -0.215 0.000 1.127 174 W HN 0.149 nan 8.180 nan 0.000 0.528 175 L N 1.413 122.580 121.223 -0.093 0.000 2.012 175 L HA -0.210 4.131 4.340 0.000 0.000 0.210 175 L C 2.686 179.420 176.870 -0.227 0.000 1.073 175 L CA 2.366 57.104 54.840 -0.171 0.000 0.748 175 L CB -1.823 40.298 42.059 0.103 0.000 0.891 175 L HN 0.154 nan 8.230 nan 0.000 0.431 176 R N -0.619 119.759 120.500 -0.204 0.000 2.081 176 R HA -0.148 4.192 4.340 0.000 0.000 0.235 176 R C 2.204 178.317 176.300 -0.312 0.000 1.131 176 R CA 1.416 57.346 56.100 -0.283 0.000 0.960 176 R CB -0.200 29.985 30.300 -0.190 0.000 0.856 176 R HN 0.317 nan 8.270 nan 0.000 0.436 177 A N 1.469 124.092 122.820 -0.327 0.000 1.917 177 A HA -0.210 4.110 4.320 0.000 0.000 0.219 177 A C 1.842 179.191 177.584 -0.393 0.000 1.182 177 A CA 1.804 53.647 52.037 -0.322 0.000 0.633 177 A CB -0.703 18.090 19.000 -0.345 0.000 0.819 177 A HN 0.482 nan 8.150 nan 0.000 0.448 178 N N 0.044 118.360 118.700 -0.640 0.000 2.244 178 N HA -0.070 4.670 4.740 0.000 0.000 0.183 178 N C 1.930 177.308 175.510 -0.220 0.000 1.016 178 N CA 1.268 53.894 53.050 -0.707 0.000 0.866 178 N CB -0.370 37.148 38.487 -1.615 0.000 0.980 178 N HN 0.494 nan 8.380 nan 0.000 0.430 179 A N 0.953 123.753 122.820 -0.032 0.000 1.902 179 A HA -0.069 4.251 4.320 0.000 0.000 0.217 179 A C 2.512 180.105 177.584 0.014 0.000 1.181 179 A CA 1.120 53.202 52.037 0.074 0.000 0.623 179 A CB -0.682 18.184 19.000 -0.223 0.000 0.818 179 A HN 0.088 nan 8.150 nan 0.000 0.443 180 V N -0.125 119.754 119.914 -0.060 0.000 2.343 180 V HA -0.238 3.882 4.120 0.000 0.000 0.247 180 V C 3.044 179.136 176.094 -0.005 0.000 1.051 180 V CA 1.879 64.197 62.300 0.031 0.000 1.036 180 V CB -1.260 30.567 31.823 0.008 0.000 0.654 180 V HN 0.615 nan 8.190 nan 0.000 0.451 181 A N -0.404 122.378 122.820 -0.063 0.000 1.877 181 A HA -0.191 4.129 4.320 0.000 0.000 0.216 181 A C 2.288 179.859 177.584 -0.022 0.000 1.186 181 A CA 1.916 53.914 52.037 -0.065 0.000 0.620 181 A CB -0.641 18.280 19.000 -0.132 0.000 0.822 181 A HN 0.464 nan 8.150 nan 0.000 0.443 182 L N -0.395 120.846 121.223 0.029 0.000 2.081 182 L HA -0.298 4.042 4.340 0.000 0.000 0.212 182 L C 2.767 179.662 176.870 0.041 0.000 1.080 182 L CA 1.913 56.802 54.840 0.082 0.000 0.754 182 L CB -0.438 41.756 42.059 0.225 0.000 0.893 182 L HN 0.556 nan 8.230 nan 0.000 0.433 183 Q N -0.669 119.156 119.800 0.041 0.000 2.234 183 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 183 Q C 1.859 177.853 176.000 -0.010 0.000 0.980 183 Q CA 1.128 56.944 55.803 0.021 0.000 0.869 183 Q CB -0.064 28.693 28.738 0.031 0.000 0.912 183 Q HN 0.542 nan 8.270 nan 0.000 0.436 184 E N 0.808 120.991 120.200 -0.028 0.000 2.097 184 E HA -0.194 4.156 4.350 0.000 0.000 0.196 184 E C 1.590 178.117 176.600 -0.120 0.000 1.000 184 E CA 1.412 57.780 56.400 -0.053 0.000 0.804 184 E CB -0.188 29.482 29.700 -0.050 0.000 0.740 184 E HN 0.371 nan 8.360 nan 0.000 0.454 185 A N 1.193 123.897 122.820 -0.193 0.000 2.278 185 A HA 0.050 4.370 4.320 0.000 0.000 0.212 185 A C 1.227 178.656 177.584 -0.258 0.000 1.213 185 A CA -0.005 51.790 52.037 -0.404 0.000 0.840 185 A CB -0.049 18.622 19.000 -0.547 0.000 0.866 185 A HN 0.076 nan 8.150 nan 0.000 0.489 186 S N -0.114 115.530 115.700 -0.094 0.000 2.560 186 S HA 0.129 4.599 4.470 0.000 0.000 0.284 186 S C 1.409 176.021 174.600 0.020 0.000 1.327 186 S CA 0.458 58.664 58.200 0.009 0.000 1.055 186 S CB 0.438 63.685 63.200 0.077 0.000 0.868 186 S HN 0.506 nan 8.310 nan 0.000 0.506 187 T N 3.772 118.366 114.554 0.068 0.000 3.072 187 T HA -0.036 4.314 4.350 0.000 0.000 0.266 187 T C 1.498 176.252 174.700 0.091 0.000 1.127 187 T CA 1.222 63.367 62.100 0.075 0.000 1.107 187 T CB -0.242 68.685 68.868 0.097 0.000 0.910 187 T HN 0.690 nan 8.240 nan 0.000 0.513 188 T N 1.877 116.502 114.554 0.118 0.000 3.129 188 T HA 0.123 4.474 4.350 0.000 0.000 0.251 188 T C 0.889 175.628 174.700 0.066 0.000 1.117 188 T CA 0.013 62.173 62.100 0.101 0.000 1.034 188 T CB 0.128 69.100 68.868 0.173 0.000 0.968 188 T HN 0.554 nan 8.240 nan 0.000 0.526 189 R N -0.312 120.223 120.500 0.058 0.000 3.015 189 R HA 0.795 5.135 4.340 0.000 0.000 0.258 189 R C -0.532 175.789 176.300 0.034 0.000 1.172 189 R CA -0.800 55.324 56.100 0.041 0.000 1.003 189 R CB 0.379 30.704 30.300 0.042 0.000 1.326 189 R HN -0.038 nan 8.270 nan 0.000 0.449 195 G N -0.438 108.422 108.800 0.099 0.000 2.426 195 G HA2 -0.076 3.884 3.960 0.000 0.000 0.214 195 G HA3 -0.076 3.884 3.960 0.000 0.000 0.214 195 G C 0.896 175.810 174.900 0.023 0.000 1.156 195 G CA 0.651 45.774 45.100 0.038 0.000 0.802 195 G HN 0.244 nan 8.290 nan 0.000 0.534 196 Y N 1.601 121.900 120.300 -0.002 0.000 2.274 196 Y HA -0.016 4.534 4.550 0.000 0.000 0.290 196 Y C 3.101 178.997 175.900 -0.007 0.000 1.145 196 Y CA 0.825 58.921 58.100 -0.007 0.000 1.203 196 Y CB -0.266 38.187 38.460 -0.012 0.000 0.984 196 Y HN 0.266 nan 8.280 nan 0.000 0.533 197 A N 0.393 123.307 122.820 0.157 0.000 1.851 197 A HA -0.240 4.080 4.320 0.000 0.000 0.216 197 A C 2.342 179.952 177.584 0.042 0.000 1.195 197 A CA 1.946 54.032 52.037 0.081 0.000 0.622 197 A CB -0.690 18.344 19.000 0.057 0.000 0.831 197 A HN 0.364 nan 8.150 nan 0.000 0.444 198 R N -0.847 119.666 120.500 0.021 0.000 2.083 198 R HA -0.158 4.182 4.340 0.000 0.000 0.237 198 R C 2.511 178.797 176.300 -0.023 0.000 1.137 198 R CA 1.390 57.482 56.100 -0.012 0.000 0.951 198 R CB -0.529 29.758 30.300 -0.022 0.000 0.851 198 R HN 0.548 nan 8.270 nan 0.000 0.434 199 A N 0.830 123.638 122.820 -0.020 0.000 1.902 199 A HA -0.207 4.113 4.320 0.000 0.000 0.217 199 A C 2.011 179.601 177.584 0.011 0.000 1.181 199 A CA 1.603 53.627 52.037 -0.022 0.000 0.623 199 A CB -0.353 18.597 19.000 -0.083 0.000 0.818 199 A HN 0.231 nan 8.150 nan 0.000 0.443 200 E N 0.341 120.560 120.200 0.032 0.000 2.072 200 E HA -0.041 4.309 4.350 0.000 0.000 0.191 200 E C 2.051 178.673 176.600 0.037 0.000 0.985 200 E CA 1.509 57.939 56.400 0.050 0.000 0.801 200 E CB -0.540 29.202 29.700 0.070 0.000 0.750 200 E HN 0.449 nan 8.360 nan 0.000 0.452 201 A N 0.920 123.749 122.820 0.016 0.000 1.883 201 A HA -0.100 4.220 4.320 0.000 0.000 0.217 201 A C 2.474 180.037 177.584 -0.034 0.000 1.186 201 A CA 2.462 54.498 52.037 -0.002 0.000 0.624 201 A CB -1.168 17.822 19.000 -0.018 0.000 0.822 201 A HN 0.374 nan 8.150 nan 0.000 0.444 202 A N -0.544 122.229 122.820 -0.078 0.000 1.877 202 A HA -0.090 4.230 4.320 0.000 0.000 0.216 202 A C 2.452 180.003 177.584 -0.055 0.000 1.186 202 A CA 2.180 54.099 52.037 -0.196 0.000 0.620 202 A CB -1.017 17.878 19.000 -0.175 0.000 0.822 202 A HN 0.479 nan 8.150 nan 0.000 0.443 203 S N -0.188 115.577 115.700 0.109 0.000 2.370 203 S HA -0.251 4.219 4.470 0.000 0.000 0.226 203 S C 2.096 176.825 174.600 0.214 0.000 1.033 203 S CA 1.761 60.097 58.200 0.227 0.000 1.011 203 S CB -0.386 62.892 63.200 0.130 0.000 0.852 203 S HN 0.711 nan 8.310 nan 0.000 0.457 204 Q N 0.413 120.290 119.800 0.128 0.000 2.119 204 Q HA -0.067 4.273 4.340 0.000 0.000 0.201 204 Q C 2.225 178.323 176.000 0.163 0.000 0.972 204 Q CA 0.844 56.725 55.803 0.131 0.000 0.847 204 Q CB -0.089 28.700 28.738 0.085 0.000 0.903 204 Q HN 0.474 nan 8.270 nan 0.000 0.433 205 E N 0.081 120.348 120.200 0.112 0.000 2.077 205 E HA -0.148 4.203 4.350 0.000 0.000 0.193 205 E C 1.786 178.571 176.600 0.308 0.000 0.989 205 E CA 0.950 57.447 56.400 0.162 0.000 0.800 205 E CB -0.067 29.638 29.700 0.009 0.000 0.746 205 E HN 0.285 nan 8.360 nan 0.000 0.452 206 F N 1.376 121.493 119.950 0.278 0.000 2.113 206 F HA -0.139 4.388 4.527 0.000 0.000 0.297 206 F C 2.675 178.761 175.800 0.477 0.000 1.103 206 F CA 1.258 59.494 58.000 0.393 0.000 1.248 206 F CB -1.058 38.158 39.000 0.361 0.000 0.999 206 F HN -0.030 nan 8.300 nan 0.000 0.475 207 T N -0.070 114.808 114.554 0.540 0.000 2.652 207 T HA -0.284 4.066 4.350 0.000 0.000 0.267 207 T C 2.119 177.018 174.700 0.330 0.000 1.039 207 T CA 1.823 64.159 62.100 0.394 0.000 1.153 207 T CB -0.433 68.590 68.868 0.259 0.000 0.863 207 T HN 0.155 nan 8.240 nan 0.000 0.428 208 R N -0.425 120.238 120.500 0.273 0.000 2.091 208 R HA -0.163 4.177 4.340 0.000 0.000 0.238 208 R C 2.330 178.746 176.300 0.193 0.000 1.136 208 R CA 1.426 57.642 56.100 0.193 0.000 0.959 208 R CB -0.531 29.862 30.300 0.156 0.000 0.856 208 R HN 0.482 nan 8.270 nan 0.000 0.437 209 Y N 0.243 120.621 120.300 0.131 0.000 2.070 209 Y HA -0.233 4.317 4.550 0.000 0.000 0.280 209 Y C 1.698 177.572 175.900 -0.043 0.000 1.148 209 Y CA 2.045 60.143 58.100 -0.003 0.000 1.125 209 Y CB -0.570 37.918 38.460 0.047 0.000 0.975 209 Y HN 0.016 nan 8.280 nan 0.000 0.492 210 F N -0.112 119.983 119.950 0.242 0.000 2.325 210 F HA -0.028 4.499 4.527 0.000 0.000 0.299 210 F C 2.592 178.413 175.800 0.035 0.000 1.090 210 F CA 1.349 59.406 58.000 0.094 0.000 1.392 210 F CB -0.556 38.575 39.000 0.218 0.000 1.053 210 F HN -0.067 nan 8.300 nan 0.000 0.521 211 R N 0.003 120.638 120.500 0.225 0.000 2.096 211 R HA -0.082 4.258 4.340 0.000 0.000 0.235 211 R C 2.338 178.673 176.300 0.059 0.000 1.127 211 R CA 1.067 57.249 56.100 0.137 0.000 0.968 211 R CB -0.076 30.299 30.300 0.124 0.000 0.861 211 R HN 0.131 nan 8.270 nan 0.000 0.440 212 R N -0.131 120.370 120.500 0.001 0.000 2.148 212 R HA -0.061 4.279 4.340 0.000 0.000 0.223 212 R C 1.764 178.013 176.300 -0.084 0.000 1.088 212 R CA 0.754 56.821 56.100 -0.056 0.000 0.985 212 R CB 0.085 30.322 30.300 -0.104 0.000 0.880 212 R HN 0.217 nan 8.270 nan 0.000 0.451 213 E N 0.395 120.530 120.200 -0.108 0.000 2.046 213 E HA -0.125 4.225 4.350 0.000 0.000 0.190 213 E C 2.142 178.745 176.600 0.006 0.000 0.982 213 E CA 1.346 57.695 56.400 -0.085 0.000 0.800 213 E CB -0.371 29.280 29.700 -0.080 0.000 0.756 213 E HN 0.224 nan 8.360 nan 0.000 0.449 214 V N 0.374 120.321 119.914 0.055 0.000 2.453 214 V HA -0.181 3.939 4.120 0.000 0.000 0.252 214 V C 0.749 176.857 176.094 0.024 0.000 1.068 214 V CA 1.497 63.828 62.300 0.052 0.000 1.070 214 V CB -0.366 31.496 31.823 0.065 0.000 0.664 214 V HN -0.081 nan 8.190 nan 0.000 0.461 225 L N 2.085 123.281 121.223 -0.045 0.000 2.265 225 L HA 0.155 4.495 4.340 0.000 0.000 0.215 225 L C 2.042 178.886 176.870 -0.044 0.000 1.117 225 L CA 1.374 56.166 54.840 -0.080 0.000 0.782 225 L CB -0.683 41.303 42.059 -0.121 0.000 0.914 225 L HN 0.240 nan 8.230 nan 0.000 0.441 226 L N -1.405 119.812 121.223 -0.010 0.000 2.072 226 L HA -0.188 4.152 4.340 0.000 0.000 0.205 226 L C 2.304 179.177 176.870 0.005 0.000 1.079 226 L CA 1.624 56.471 54.840 0.011 0.000 0.752 226 L CB -0.541 41.551 42.059 0.055 0.000 0.906 226 L HN 0.274 nan 8.230 nan 0.000 0.436 227 T N 0.274 114.828 114.554 0.000 0.000 2.607 227 T HA -0.247 4.103 4.350 0.000 0.000 0.267 227 T C 1.900 176.593 174.700 -0.011 0.000 1.049 227 T CA 1.266 63.364 62.100 -0.004 0.000 1.162 227 T CB -0.257 68.606 68.868 -0.009 0.000 0.863 227 T HN 0.126 nan 8.240 nan 0.000 0.424 228 L N 0.987 122.196 121.223 -0.023 0.000 2.042 228 L HA -0.113 4.227 4.340 0.000 0.000 0.210 228 L C 2.318 179.175 176.870 -0.021 0.000 1.076 228 L CA 1.924 56.746 54.840 -0.029 0.000 0.749 228 L CB -1.014 41.015 42.059 -0.050 0.000 0.893 228 L HN 0.368 nan 8.230 nan 0.000 0.432 229 L N -2.795 118.416 121.223 -0.019 0.000 2.240 229 L HA -0.035 4.305 4.340 0.000 0.000 0.211 229 L C 2.297 179.169 176.870 0.003 0.000 1.106 229 L CA 0.627 55.462 54.840 -0.009 0.000 0.793 229 L CB -1.285 40.768 42.059 -0.009 0.000 0.927 229 L HN -0.142 nan 8.230 nan 0.000 0.446 230 V N -0.415 119.502 119.914 0.006 0.000 3.129 230 V HA 0.021 4.141 4.120 0.000 0.000 0.259 230 V C 2.617 178.715 176.094 0.007 0.000 1.116 230 V CA 0.831 63.138 62.300 0.012 0.000 1.127 230 V CB -0.414 31.420 31.823 0.019 0.000 0.742 230 V HN 0.385 nan 8.190 nan 0.000 0.474 231 R N 0.298 120.799 120.500 0.001 0.000 2.153 231 R HA 0.206 4.546 4.340 0.000 0.000 0.218 231 R C 0.919 177.218 176.300 -0.001 0.000 1.072 231 R CA 0.904 57.004 56.100 -0.001 0.000 0.990 231 R CB -0.423 29.873 30.300 -0.006 0.000 0.889 231 R HN 0.508 nan 8.270 nan 0.000 0.452 241 V N 1.094 121.040 119.914 0.053 0.000 2.490 241 V HA -0.135 3.985 4.120 0.000 0.000 0.250 241 V C 1.904 178.045 176.094 0.077 0.000 1.061 241 V CA 2.486 64.823 62.300 0.062 0.000 1.064 241 V CB -0.916 30.942 31.823 0.059 0.000 0.670 241 V HN 0.941 nan 8.190 nan 0.000 0.461 242 D N 0.111 120.556 120.400 0.076 0.000 2.178 242 D HA -0.077 4.563 4.640 0.000 0.000 0.202 242 D C 2.149 178.508 176.300 0.097 0.000 0.974 242 D CA 1.344 55.397 54.000 0.088 0.000 0.841 242 D CB -0.394 40.452 40.800 0.076 0.000 0.953 242 D HN 0.460 nan 8.370 nan 0.000 0.478 243 G N 0.598 109.454 108.800 0.092 0.000 2.394 243 G HA2 -0.146 3.814 3.960 0.000 0.000 0.215 243 G HA3 -0.146 3.814 3.960 0.000 0.000 0.215 243 G C 1.532 176.486 174.900 0.090 0.000 1.165 243 G CA 0.183 45.348 45.100 0.107 0.000 0.784 243 G HN 0.159 nan 8.290 nan 0.000 0.535 244 I N 0.870 121.478 120.570 0.064 0.000 2.179 244 I HA -0.119 4.051 4.170 0.000 0.000 0.242 244 I C 2.906 179.025 176.117 0.002 0.000 1.088 244 I CA 0.778 62.098 61.300 0.033 0.000 1.357 244 I CB -1.224 36.798 38.000 0.036 0.000 1.051 244 I HN 0.017 nan 8.210 nan 0.000 0.409 245 V N 1.588 121.529 119.914 0.046 0.000 2.233 245 V HA -0.238 3.882 4.120 0.000 0.000 0.247 245 V C 2.772 178.883 176.094 0.029 0.000 1.050 245 V CA 2.347 64.677 62.300 0.050 0.000 1.010 245 V CB -1.476 30.444 31.823 0.163 0.000 0.637 245 V HN 0.534 nan 8.190 nan 0.000 0.444 246 G N -1.204 107.676 108.800 0.132 0.000 2.469 246 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 246 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 246 G C 1.693 176.769 174.900 0.293 0.000 1.136 246 G CA 1.649 46.913 45.100 0.273 0.000 0.759 246 G HN 0.470 nan 8.290 nan 0.000 0.562 247 T N 0.073 114.698 114.554 0.119 0.000 2.777 247 T HA -0.146 4.204 4.350 0.000 0.000 0.266 247 T C 2.519 177.128 174.700 -0.151 0.000 1.040 247 T CA 1.302 63.414 62.100 0.021 0.000 1.141 247 T CB -0.401 68.478 68.868 0.018 0.000 0.868 247 T HN 0.394 nan 8.240 nan 0.000 0.444 248 C N 0.959 120.082 119.300 -0.294 0.000 2.425 248 C HA 0.000 4.461 4.460 0.000 0.000 0.277 248 C C 2.795 177.421 174.990 -0.608 0.000 1.280 248 C CA 0.111 58.768 59.018 -0.602 0.000 1.744 248 C CB -1.187 25.785 27.740 -1.280 0.000 1.989 248 C HN 0.354 nan 8.230 nan 0.000 0.491 249 V N -0.063 119.585 119.914 -0.444 0.000 2.358 249 V HA -0.246 3.875 4.120 0.000 0.000 0.246 249 V C 2.324 178.209 176.094 -0.348 0.000 1.047 249 V CA 2.290 64.396 62.300 -0.323 0.000 1.035 249 V CB -1.001 30.837 31.823 0.025 0.000 0.658 249 V HN 0.692 nan 8.190 nan 0.000 0.452 250 H N -0.138 118.535 119.070 -0.661 0.000 2.293 250 H HA -0.128 4.428 4.556 0.000 0.000 0.300 250 H C 2.318 177.233 175.328 -0.689 0.000 1.082 250 H CA 1.756 57.059 56.048 -1.242 0.000 1.308 250 H CB 0.048 28.969 29.762 -1.401 0.000 1.375 250 H HN 0.287 nan 8.280 nan 0.000 0.495 251 L N 0.275 121.247 121.223 -0.419 0.000 2.079 251 L HA -0.189 4.151 4.340 0.000 0.000 0.210 251 L C 2.670 179.414 176.870 -0.209 0.000 1.081 251 L CA 0.591 55.237 54.840 -0.323 0.000 0.752 251 L CB -0.341 41.623 42.059 -0.158 0.000 0.896 251 L HN 0.338 nan 8.230 nan 0.000 0.433 252 L N 0.053 121.158 121.223 -0.198 0.000 2.109 252 L HA -0.134 4.206 4.340 0.000 0.000 0.207 252 L C 2.508 179.305 176.870 -0.122 0.000 1.086 252 L CA 2.197 56.974 54.840 -0.104 0.000 0.760 252 L CB -0.457 41.566 42.059 -0.061 0.000 0.910 252 L HN 0.371 nan 8.230 nan 0.000 0.437 253 T N -4.442 109.991 114.554 -0.202 0.000 3.086 253 T HA 0.283 4.633 4.350 0.000 0.000 0.250 253 T C 1.709 176.327 174.700 -0.138 0.000 1.074 253 T CA 0.354 62.372 62.100 -0.136 0.000 0.988 253 T CB -0.142 68.644 68.868 -0.137 0.000 0.988 253 T HN 0.242 nan 8.240 nan 0.000 0.530 254 A N 2.038 124.737 122.820 -0.200 0.000 1.855 254 A HA 0.300 4.621 4.320 0.000 0.000 0.215 254 A C 2.602 180.116 177.584 -0.116 0.000 1.191 254 A CA 1.479 53.395 52.037 -0.202 0.000 0.613 254 A CB -1.527 17.288 19.000 -0.309 0.000 0.829 254 A HN 0.573 nan 8.150 nan 0.000 0.442 255 G N -1.879 106.873 108.800 -0.080 0.000 2.422 255 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 255 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 255 G C 1.541 176.453 174.900 0.021 0.000 1.140 255 G CA 1.090 46.177 45.100 -0.023 0.000 0.775 255 G HN 0.753 nan 8.290 nan 0.000 0.545 256 H N 1.445 120.475 119.070 -0.067 0.000 2.457 256 H HA -0.045 4.511 4.556 0.000 0.000 0.294 256 H C 2.199 177.492 175.328 -0.058 0.000 1.064 256 H CA 1.563 57.580 56.048 -0.052 0.000 1.330 256 H CB 0.224 29.956 29.762 -0.051 0.000 1.395 256 H HN 0.649 nan 8.280 nan 0.000 0.541 257 E N 0.002 120.124 120.200 -0.130 0.000 2.474 257 E HA 0.008 4.358 4.350 0.000 0.000 0.195 257 E C 1.161 177.755 176.600 -0.010 0.000 1.039 257 E CA 0.738 57.018 56.400 -0.199 0.000 0.881 257 E CB 0.360 29.788 29.700 -0.454 0.000 0.970 257 E HN 0.450 nan 8.360 nan 0.000 0.486 258 T N -2.788 111.777 114.554 0.018 0.000 3.361 258 T HA 0.047 4.397 4.350 0.000 0.000 0.241 258 T C 2.009 176.768 174.700 0.099 0.000 0.998 258 T CA 0.719 62.880 62.100 0.102 0.000 1.215 258 T CB -0.384 68.546 68.868 0.103 0.000 1.196 258 T HN -0.044 nan 8.240 nan 0.000 0.376 259 T N 2.650 117.253 114.554 0.082 0.000 2.720 259 T HA -0.101 4.249 4.350 0.000 0.000 0.268 259 T C 2.104 176.890 174.700 0.143 0.000 1.037 259 T CA 2.117 64.299 62.100 0.137 0.000 1.144 259 T CB -1.092 67.829 68.868 0.087 0.000 0.864 259 T HN 0.505 nan 8.240 nan 0.000 0.444 260 T N 2.620 117.198 114.554 0.039 0.000 2.665 260 T HA -0.148 4.202 4.350 0.000 0.000 0.268 260 T C 2.057 176.749 174.700 -0.014 0.000 1.035 260 T CA 1.201 63.292 62.100 -0.016 0.000 1.151 260 T CB -0.436 68.345 68.868 -0.145 0.000 0.862 260 T HN 0.383 nan 8.240 nan 0.000 0.438 261 N N 0.558 119.253 118.700 -0.009 0.000 2.166 261 N HA -0.067 4.673 4.740 0.000 0.000 0.186 261 N C 1.655 177.183 175.510 0.031 0.000 1.019 261 N CA 0.907 53.952 53.050 -0.008 0.000 0.856 261 N CB -0.480 38.032 38.487 0.041 0.000 0.993 261 N HN 0.380 nan 8.380 nan 0.000 0.426 262 F N 2.157 122.110 119.950 0.005 0.000 2.069 262 F HA -0.093 4.434 4.527 0.000 0.000 0.298 262 F C 2.184 178.003 175.800 0.033 0.000 1.113 262 F CA 1.123 59.136 58.000 0.020 0.000 1.214 262 F CB -0.581 38.426 39.000 0.011 0.000 0.978 262 F HN -0.099 nan 8.300 nan 0.000 0.474 263 L N 0.080 121.198 121.223 -0.176 0.000 2.012 263 L HA -0.225 4.116 4.340 0.000 0.000 0.210 263 L C 2.843 179.596 176.870 -0.196 0.000 1.073 263 L CA 1.345 56.067 54.840 -0.197 0.000 0.748 263 L CB -1.264 40.852 42.059 0.096 0.000 0.891 263 L HN 0.302 nan 8.230 nan 0.000 0.431 264 A N -0.007 122.734 122.820 -0.132 0.000 1.877 264 A HA -0.208 4.112 4.320 0.000 0.000 0.216 264 A C 2.308 179.782 177.584 -0.182 0.000 1.186 264 A CA 1.645 53.595 52.037 -0.145 0.000 0.620 264 A CB -0.355 18.548 19.000 -0.161 0.000 0.822 264 A HN 0.318 nan 8.150 nan 0.000 0.443 265 K N -0.320 119.975 120.400 -0.176 0.000 2.211 265 K HA 0.017 4.337 4.320 0.000 0.000 0.203 265 K C 2.221 178.745 176.600 -0.125 0.000 1.050 265 K CA 0.873 57.105 56.287 -0.091 0.000 0.945 265 K CB -0.270 32.243 32.500 0.023 0.000 0.732 265 K HN 0.450 nan 8.250 nan 0.000 0.451 266 A N 1.212 123.838 122.820 -0.324 0.000 1.902 266 A HA -0.106 4.214 4.320 0.000 0.000 0.217 266 A C 2.365 179.847 177.584 -0.170 0.000 1.181 266 A CA 1.227 53.052 52.037 -0.353 0.000 0.623 266 A CB -0.545 18.050 19.000 -0.675 0.000 0.818 266 A HN 0.054 nan 8.150 nan 0.000 0.443 267 V N 0.098 119.919 119.914 -0.155 0.000 2.427 267 V HA -0.231 3.889 4.120 0.000 0.000 0.248 267 V C 2.542 178.600 176.094 -0.060 0.000 1.051 267 V CA 1.824 64.065 62.300 -0.099 0.000 1.048 267 V CB -0.681 31.077 31.823 -0.108 0.000 0.666 267 V HN 0.559 nan 8.190 nan 0.000 0.456 268 L N -0.560 120.623 121.223 -0.067 0.000 2.027 268 L HA -0.153 4.187 4.340 0.000 0.000 0.206 268 L C 2.651 179.576 176.870 0.090 0.000 1.074 268 L CA 1.936 56.771 54.840 -0.008 0.000 0.745 268 L CB -1.030 41.031 42.059 0.004 0.000 0.898 268 L HN 0.330 nan 8.230 nan 0.000 0.433 269 T N 0.485 115.103 114.554 0.107 0.000 2.652 269 T HA -0.180 4.170 4.350 0.000 0.000 0.267 269 T C 1.968 176.757 174.700 0.148 0.000 1.039 269 T CA 1.329 63.537 62.100 0.180 0.000 1.153 269 T CB -0.310 68.625 68.868 0.112 0.000 0.863 269 T HN 0.185 nan 8.240 nan 0.000 0.428 270 L N 0.205 121.454 121.223 0.043 0.000 2.131 270 L HA -0.060 4.280 4.340 0.000 0.000 0.210 270 L C 2.851 179.748 176.870 0.045 0.000 1.092 270 L CA 1.267 56.127 54.840 0.033 0.000 0.759 270 L CB -0.472 41.579 42.059 -0.013 0.000 0.903 270 L HN 0.165 nan 8.230 nan 0.000 0.435 271 R N -0.160 120.367 120.500 0.045 0.000 2.115 271 R HA -0.063 4.277 4.340 0.000 0.000 0.230 271 R C 2.288 178.602 176.300 0.023 0.000 1.111 271 R CA 1.154 57.283 56.100 0.049 0.000 0.976 271 R CB -0.249 30.115 30.300 0.106 0.000 0.870 271 R HN 0.320 nan 8.270 nan 0.000 0.445 272 A N -0.012 122.811 122.820 0.005 0.000 2.123 272 A HA -0.027 4.293 4.320 0.000 0.000 0.214 272 A C 0.282 177.638 177.584 -0.379 0.000 1.152 272 A CA 0.648 52.600 52.037 -0.141 0.000 0.728 272 A CB 0.128 19.055 19.000 -0.122 0.000 0.814 272 A HN 0.248 nan 8.150 nan 0.000 0.464 273 H N -0.433 118.621 119.070 -0.026 0.000 2.348 273 H HA 0.251 4.807 4.556 0.000 0.000 0.232 273 H C 0.395 175.699 175.328 -0.041 0.000 1.419 273 H CA -0.528 55.489 56.048 -0.052 0.000 1.416 273 H CB 0.454 30.144 29.762 -0.120 0.000 1.510 273 H HN 0.234 nan 8.280 nan 0.000 0.507 274 R N 0.996 121.515 120.500 0.032 0.000 2.159 274 R HA -0.111 4.230 4.340 0.000 0.000 0.237 274 R C 1.422 177.738 176.300 0.026 0.000 1.131 274 R CA 1.051 57.164 56.100 0.022 0.000 0.982 274 R CB -0.058 30.245 30.300 0.005 0.000 0.868 274 R HN 0.670 nan 8.270 nan 0.000 0.453 275 D N -0.003 120.419 120.400 0.036 0.000 2.097 275 D HA -0.117 4.523 4.640 0.000 0.000 0.195 275 D C 1.829 178.141 176.300 0.021 0.000 0.989 275 D CA 1.035 55.052 54.000 0.029 0.000 0.827 275 D CB -0.581 40.242 40.800 0.038 0.000 0.966 275 D HN 0.045 nan 8.370 nan 0.000 0.456 276 V N 1.256 121.181 119.914 0.019 0.000 2.379 276 V HA -0.157 3.963 4.120 0.000 0.000 0.245 276 V C 2.776 178.863 176.094 -0.012 0.000 1.044 276 V CA 1.093 63.384 62.300 -0.016 0.000 1.036 276 V CB -0.672 31.112 31.823 -0.065 0.000 0.664 276 V HN 0.176 nan 8.190 nan 0.000 0.453 277 L N 0.070 121.294 121.223 0.002 0.000 2.012 277 L HA -0.232 4.108 4.340 0.000 0.000 0.210 277 L C 2.333 179.203 176.870 -0.001 0.000 1.073 277 L CA 2.139 56.978 54.840 -0.002 0.000 0.748 277 L CB -0.458 41.603 42.059 0.004 0.000 0.891 277 L HN 0.331 nan 8.230 nan 0.000 0.431 278 D N -0.299 120.103 120.400 0.004 0.000 2.144 278 D HA -0.176 4.464 4.640 0.000 0.000 0.199 278 D C 2.191 178.495 176.300 0.006 0.000 0.984 278 D CA 1.028 55.031 54.000 0.005 0.000 0.834 278 D CB -0.098 40.706 40.800 0.007 0.000 0.955 278 D HN 0.418 nan 8.370 nan 0.000 0.465 279 E N 0.311 120.516 120.200 0.008 0.000 2.150 279 E HA -0.080 4.270 4.350 0.000 0.000 0.193 279 E C 2.404 179.009 176.600 0.008 0.000 0.985 279 E CA 0.145 56.553 56.400 0.012 0.000 0.814 279 E CB -0.146 29.565 29.700 0.018 0.000 0.752 279 E HN 0.348 nan 8.360 nan 0.000 0.466 280 L N 0.541 121.764 121.223 0.000 0.000 2.093 280 L HA -0.155 4.186 4.340 0.000 0.000 0.208 280 L C 2.673 179.545 176.870 0.004 0.000 1.085 280 L CA 1.005 55.845 54.840 0.000 0.000 0.755 280 L CB -0.129 41.927 42.059 -0.005 0.000 0.904 280 L HN 0.059 nan 8.230 nan 0.000 0.435 281 R N -0.704 119.797 120.500 0.002 0.000 2.081 281 R HA -0.155 4.185 4.340 0.000 0.000 0.235 281 R C 2.070 178.373 176.300 0.006 0.000 1.131 281 R CA 1.981 58.083 56.100 0.002 0.000 0.960 281 R CB -0.538 29.761 30.300 -0.001 0.000 0.856 281 R HN 0.471 nan 8.270 nan 0.000 0.436 282 T N -3.124 111.435 114.554 0.008 0.000 3.129 282 T HA 0.051 4.401 4.350 0.000 0.000 0.251 282 T C 0.649 175.357 174.700 0.014 0.000 1.117 282 T CA 0.363 62.469 62.100 0.010 0.000 1.034 282 T CB 0.412 69.286 68.868 0.011 0.000 0.968 282 T HN -0.062 nan 8.240 nan 0.000 0.526 283 T N 2.955 117.518 114.554 0.015 0.000 3.504 283 T HA 0.353 4.703 4.350 0.000 0.000 0.286 283 T C -2.271 172.439 174.700 0.018 0.000 1.530 283 T CA -0.948 61.163 62.100 0.019 0.000 1.652 283 T CB 1.410 70.293 68.868 0.025 0.000 0.895 283 T HN 0.002 nan 8.240 nan 0.000 0.674 284 P HA -0.224 nan 4.420 nan 0.000 0.216 284 P C 1.790 179.104 177.300 0.022 0.000 1.154 284 P CA 1.059 64.170 63.100 0.019 0.000 0.865 284 P CB 0.187 31.898 31.700 0.019 0.000 0.789 285 E N -0.622 119.591 120.200 0.022 0.000 2.401 285 E HA -0.151 4.200 4.350 0.000 0.000 0.199 285 E C 1.659 178.273 176.600 0.024 0.000 1.023 285 E CA 1.263 57.677 56.400 0.023 0.000 0.859 285 E CB -0.922 28.792 29.700 0.024 0.000 0.780 285 E HN 0.174 nan 8.360 nan 0.000 0.523 286 S N 0.067 115.780 115.700 0.021 0.000 2.558 286 S HA -0.011 4.459 4.470 0.000 0.000 0.217 286 S C 1.532 176.137 174.600 0.009 0.000 0.975 286 S CA 0.729 58.936 58.200 0.013 0.000 0.912 286 S CB -0.304 62.899 63.200 0.006 0.000 0.776 286 S HN 0.370 nan 8.310 nan 0.000 0.526 287 T N 3.147 117.714 114.554 0.021 0.000 2.653 287 T HA -0.106 4.244 4.350 0.000 0.000 0.268 287 T C -0.715 174.009 174.700 0.040 0.000 1.035 287 T CA 1.849 63.969 62.100 0.034 0.000 1.154 287 T CB -1.591 67.304 68.868 0.045 0.000 0.862 287 T HN 0.434 nan 8.240 nan 0.000 0.441 288 P HA -0.048 nan 4.420 nan 0.000 0.215 288 P C 1.569 178.885 177.300 0.027 0.000 1.157 288 P CA 1.461 64.581 63.100 0.033 0.000 0.874 288 P CB -0.229 31.488 31.700 0.028 0.000 0.790 289 A N -0.449 122.378 122.820 0.011 0.000 1.969 289 A HA -0.042 4.278 4.320 0.000 0.000 0.218 289 A C 2.269 179.840 177.584 -0.022 0.000 1.169 289 A CA 1.820 53.852 52.037 -0.008 0.000 0.635 289 A CB -1.511 17.469 19.000 -0.032 0.000 0.810 289 A HN 0.183 nan 8.150 nan 0.000 0.445 290 A N -0.469 122.341 122.820 -0.016 0.000 1.873 290 A HA -0.004 4.316 4.320 0.000 0.000 0.215 290 A C 2.194 179.808 177.584 0.051 0.000 1.186 290 A CA 1.717 53.746 52.037 -0.013 0.000 0.616 290 A CB -0.950 18.048 19.000 -0.004 0.000 0.823 290 A HN 0.369 nan 8.150 nan 0.000 0.442 291 V N 0.142 120.111 119.914 0.091 0.000 2.392 291 V HA -0.265 3.855 4.120 0.000 0.000 0.249 291 V C 2.590 178.725 176.094 0.069 0.000 1.059 291 V CA 2.495 64.885 62.300 0.150 0.000 1.051 291 V CB -0.687 31.189 31.823 0.087 0.000 0.658 291 V HN 0.773 nan 8.190 nan 0.000 0.455 292 E N 0.580 120.802 120.200 0.037 0.000 2.077 292 E HA -0.259 4.091 4.350 0.000 0.000 0.193 292 E C 2.094 178.702 176.600 0.014 0.000 0.989 292 E CA 1.728 58.145 56.400 0.028 0.000 0.800 292 E CB -0.212 29.511 29.700 0.039 0.000 0.746 292 E HN 0.610 nan 8.360 nan 0.000 0.452 293 E N -0.085 120.116 120.200 0.002 0.000 2.152 293 E HA -0.054 4.296 4.350 0.000 0.000 0.192 293 E C 1.925 178.530 176.600 0.010 0.000 0.983 293 E CA 0.895 57.276 56.400 -0.031 0.000 0.818 293 E CB -0.275 29.376 29.700 -0.082 0.000 0.758 293 E HN 0.396 nan 8.360 nan 0.000 0.467 294 L N -0.210 121.061 121.223 0.079 0.000 2.141 294 L HA -0.118 4.223 4.340 0.000 0.000 0.209 294 L C 2.491 179.542 176.870 0.302 0.000 1.094 294 L CA 0.770 55.717 54.840 0.179 0.000 0.763 294 L CB -0.357 41.854 42.059 0.254 0.000 0.908 294 L HN 0.275 nan 8.230 nan 0.000 0.437 295 M N -0.643 119.097 119.600 0.235 0.000 2.132 295 M HA -0.188 4.292 4.480 0.000 0.000 0.263 295 M C 2.422 178.717 176.300 -0.007 0.000 1.065 295 M CA 1.569 56.915 55.300 0.076 0.000 1.122 295 M CB -0.928 31.578 32.600 -0.156 0.000 1.365 295 M HN 0.232 nan 8.290 nan 0.000 0.411 296 R N -0.879 119.592 120.500 -0.048 0.000 2.073 296 R HA -0.221 4.119 4.340 0.000 0.000 0.234 296 R C 2.263 178.472 176.300 -0.152 0.000 1.134 296 R CA 1.659 57.658 56.100 -0.168 0.000 0.952 296 R CB -0.656 29.462 30.300 -0.304 0.000 0.850 296 R HN 0.280 nan 8.270 nan 0.000 0.433 297 Y N 0.607 120.781 120.300 -0.211 0.000 2.128 297 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 297 Y C 0.329 176.073 175.900 -0.259 0.000 1.154 297 Y CA 2.036 59.989 58.100 -0.245 0.000 1.149 297 Y CB 0.188 38.537 38.460 -0.185 0.000 0.976 297 Y HN 0.074 nan 8.280 nan 0.000 0.505 298 D N 0.229 120.640 120.400 0.017 0.000 2.586 298 D HA 0.217 4.857 4.640 0.000 0.000 0.254 298 D C -2.990 173.420 176.300 0.183 0.000 1.248 298 D CA -1.906 52.145 54.000 0.084 0.000 0.843 298 D CB 0.932 41.851 40.800 0.197 0.000 1.332 298 D HN 0.023 nan 8.370 nan 0.000 0.523 299 P HA 0.214 nan 4.420 nan 0.000 0.271 299 P C -2.133 175.228 177.300 0.100 0.000 1.218 299 P CA -1.070 62.068 63.100 0.063 0.000 0.780 299 P CB 1.454 33.124 31.700 -0.050 0.000 0.901 300 P HA -0.103 nan 4.420 nan 0.000 0.215 300 P C 0.221 177.556 177.300 0.058 0.000 1.157 300 P CA 1.175 64.347 63.100 0.119 0.000 0.868 300 P CB 0.055 31.823 31.700 0.114 0.000 0.788 301 V N 1.829 121.713 119.914 -0.051 0.000 2.364 301 V HA 0.092 4.212 4.120 0.000 0.000 0.272 301 V C 1.254 177.225 176.094 -0.205 0.000 1.036 301 V CA 0.002 62.184 62.300 -0.197 0.000 0.880 301 V CB 1.112 32.799 31.823 -0.226 0.000 0.991 301 V HN 0.050 nan 8.190 nan 0.000 0.460 302 Q N 3.058 122.711 119.800 -0.244 0.000 2.424 302 Q HA 0.368 4.709 4.340 0.000 0.000 0.204 302 Q C 0.499 176.337 176.000 -0.271 0.000 0.933 302 Q CA 0.531 56.188 55.803 -0.243 0.000 0.929 302 Q CB 1.143 29.719 28.738 -0.270 0.000 1.037 302 Q HN 0.872 nan 8.270 nan 0.000 0.511 303 A N 0.008 122.660 122.820 -0.281 0.000 2.597 303 A HA 0.580 4.900 4.320 0.000 0.000 0.292 303 A C -1.252 176.193 177.584 -0.232 0.000 1.057 303 A CA -0.592 51.298 52.037 -0.244 0.000 0.674 303 A CB 1.282 20.160 19.000 -0.202 0.000 1.278 303 A HN 0.023 nan 8.150 nan 0.000 0.416 304 V N -1.001 118.800 119.914 -0.188 0.000 2.760 304 V HA 0.937 5.057 4.120 0.000 0.000 0.309 304 V C -0.179 175.823 176.094 -0.154 0.000 1.077 304 V CA 0.099 62.308 62.300 -0.151 0.000 0.910 304 V CB 1.203 32.951 31.823 -0.125 0.000 1.008 304 V HN 1.737 nan 8.190 nan 0.000 0.424 305 T N 2.049 116.527 114.554 -0.127 0.000 2.925 305 T HA 0.867 5.217 4.350 0.000 0.000 0.285 305 T C -0.347 174.245 174.700 -0.180 0.000 1.021 305 T CA -0.820 61.165 62.100 -0.192 0.000 1.042 305 T CB 2.093 70.847 68.868 -0.191 0.000 1.037 305 T HN 0.903 nan 8.240 nan 0.000 0.481 306 R N 0.496 120.801 120.500 -0.326 0.000 2.831 306 R HA 0.497 4.837 4.340 0.000 0.000 0.266 306 R C -1.793 174.179 176.300 -0.546 0.000 1.051 306 R CA -0.685 55.260 56.100 -0.258 0.000 0.943 306 R CB 1.693 31.872 30.300 -0.203 0.000 1.228 306 R HN 0.792 nan 8.270 nan 0.000 0.467 307 W N -0.227 120.950 121.300 -0.206 0.000 2.839 307 W HA 0.598 5.258 4.660 0.000 0.000 0.334 307 W C -0.269 176.065 176.519 -0.308 0.000 1.064 307 W CA -0.628 56.614 57.345 -0.172 0.000 1.236 307 W CB 1.839 31.261 29.460 -0.062 0.000 1.405 307 W HN 0.677 nan 8.180 nan 0.000 0.478 308 A N 2.694 125.521 122.820 0.012 0.000 2.444 308 A HA 0.252 4.572 4.320 0.000 0.000 0.273 308 A C -0.387 177.275 177.584 0.131 0.000 1.136 308 A CA -0.013 52.005 52.037 -0.031 0.000 0.799 308 A CB 0.045 19.029 19.000 -0.026 0.000 1.081 308 A HN 0.707 nan 8.150 nan 0.000 0.509 309 Y N 0.704 121.052 120.300 0.079 0.000 2.490 309 Y HA 0.223 4.773 4.550 0.000 0.000 0.281 309 Y C 0.530 176.456 175.900 0.043 0.000 1.174 309 Y CA -0.009 58.131 58.100 0.066 0.000 1.295 309 Y CB 0.191 38.686 38.460 0.058 0.000 1.062 309 Y HN 0.580 nan 8.280 nan 0.000 0.522 310 E N -0.664 119.634 120.200 0.162 0.000 2.401 310 E HA 0.139 4.489 4.350 0.000 0.000 0.280 310 E C -1.401 175.225 176.600 0.043 0.000 1.039 310 E CA -0.779 55.677 56.400 0.094 0.000 0.814 310 E CB 1.243 30.992 29.700 0.083 0.000 1.275 310 E HN -0.066 nan 8.360 nan 0.000 0.448 311 D N 1.367 121.784 120.400 0.029 0.000 2.506 311 D HA 0.146 4.786 4.640 0.000 0.000 0.234 311 D C 0.257 176.543 176.300 -0.023 0.000 1.143 311 D CA 0.588 54.588 54.000 0.000 0.000 0.871 311 D CB 0.623 41.427 40.800 0.008 0.000 1.190 311 D HN 0.170 nan 8.370 nan 0.000 0.459 312 I N 1.099 121.632 120.570 -0.063 0.000 2.894 312 I HA 0.300 4.470 4.170 0.000 0.000 0.302 312 I C 0.175 176.238 176.117 -0.089 0.000 1.188 312 I CA -0.690 60.565 61.300 -0.076 0.000 1.014 312 I CB 2.045 39.981 38.000 -0.106 0.000 1.242 312 I HN 0.104 nan 8.210 nan 0.000 0.430 313 R N 3.186 123.649 120.500 -0.063 0.000 2.514 313 R HA 0.820 5.160 4.340 0.000 0.000 0.301 313 R C -1.496 174.777 176.300 -0.044 0.000 0.962 313 R CA -0.902 55.170 56.100 -0.047 0.000 0.882 313 R CB 2.447 32.731 30.300 -0.026 0.000 1.143 313 R HN 0.325 nan 8.270 nan 0.000 0.452 314 L N 1.167 122.377 121.223 -0.022 0.000 2.549 314 L HA 0.445 4.785 4.340 0.000 0.000 0.259 314 L C 0.403 177.310 176.870 0.062 0.000 0.934 314 L CA 0.649 55.488 54.840 -0.001 0.000 0.865 314 L CB 2.019 44.054 42.059 -0.040 0.000 1.352 314 L HN 0.825 nan 8.230 nan 0.000 0.410 315 G N 3.535 112.368 108.800 0.056 0.000 2.596 315 G HA2 -0.357 3.603 3.960 0.000 0.000 0.304 315 G HA3 -0.357 3.603 3.960 0.000 0.000 0.304 315 G C 0.117 175.027 174.900 0.016 0.000 1.189 315 G CA 0.753 45.894 45.100 0.069 0.000 0.986 315 G HN 0.860 nan 8.290 nan 0.000 0.548 316 D N 0.078 120.454 120.400 -0.040 0.000 2.462 316 D HA 0.293 4.934 4.640 0.000 0.000 0.221 316 D C 0.391 176.551 176.300 -0.233 0.000 1.173 316 D CA -0.173 53.744 54.000 -0.138 0.000 0.831 316 D CB 0.023 40.714 40.800 -0.181 0.000 1.001 316 D HN 0.562 nan 8.370 nan 0.000 0.499 317 H N 1.176 120.251 119.070 0.007 0.000 2.489 317 H HA 0.252 4.808 4.556 0.000 0.000 0.322 317 H C -0.625 174.669 175.328 -0.056 0.000 1.091 317 H CA -0.278 55.778 56.048 0.013 0.000 1.291 317 H CB 1.589 31.391 29.762 0.066 0.000 1.436 317 H HN 0.046 nan 8.280 nan 0.000 0.480 318 D N 4.445 124.895 120.400 0.083 0.000 2.467 318 D HA 0.135 4.775 4.640 0.000 0.000 0.220 318 D C -0.174 176.106 176.300 -0.033 0.000 1.103 318 D CA -0.452 53.555 54.000 0.012 0.000 0.886 318 D CB -0.298 40.520 40.800 0.029 0.000 1.025 318 D HN 0.377 nan 8.370 nan 0.000 0.514 319 I N 5.928 126.380 120.570 -0.195 0.000 2.322 319 I HA 0.202 4.372 4.170 0.000 0.000 0.292 319 I C -1.738 174.283 176.117 -0.160 0.000 1.060 319 I CA -1.787 59.270 61.300 -0.406 0.000 1.309 319 I CB 1.053 38.631 38.000 -0.703 0.000 1.415 319 I HN 0.189 nan 8.210 nan 0.000 0.492 320 P HA -0.021 nan 4.420 nan 0.000 0.272 320 P C -0.459 176.866 177.300 0.042 0.000 1.223 320 P CA -0.504 62.615 63.100 0.032 0.000 0.784 320 P CB 0.651 32.403 31.700 0.086 0.000 0.923 321 R N 1.541 122.077 120.500 0.060 0.000 2.446 321 R HA 0.224 4.564 4.340 0.000 0.000 0.325 321 R C 0.926 177.307 176.300 0.135 0.000 0.997 321 R CA 1.215 57.371 56.100 0.093 0.000 1.010 321 R CB -1.257 29.099 30.300 0.094 0.000 0.946 321 R HN 0.863 nan 8.270 nan 0.000 0.422 322 G N 2.541 111.450 108.800 0.182 0.000 2.336 322 G HA2 -0.220 3.740 3.960 0.000 0.000 0.194 322 G HA3 -0.220 3.740 3.960 0.000 0.000 0.194 322 G C -0.239 174.854 174.900 0.322 0.000 0.999 322 G CA -0.019 45.235 45.100 0.257 0.000 0.669 322 G HN 0.627 nan 8.290 nan 0.000 0.482 323 S N 0.582 116.403 115.700 0.202 0.000 2.576 323 S HA 0.451 4.921 4.470 0.000 0.000 0.272 323 S C 0.475 175.061 174.600 -0.022 0.000 1.352 323 S CA -0.029 58.269 58.200 0.162 0.000 1.021 323 S CB 1.512 64.842 63.200 0.217 0.000 0.887 323 S HN 0.610 nan 8.310 nan 0.000 0.542 324 R N 1.101 121.428 120.500 -0.287 0.000 2.265 324 R HA 0.471 4.811 4.340 0.000 0.000 0.319 324 R C -1.573 174.406 176.300 -0.535 0.000 1.006 324 R CA -0.379 55.186 56.100 -0.891 0.000 0.880 324 R CB 0.442 30.018 30.300 -1.207 0.000 1.077 324 R HN 0.469 nan 8.270 nan 0.000 0.454 325 V N 5.496 125.082 119.914 -0.546 0.000 2.384 325 V HA 0.329 4.449 4.120 0.000 0.000 0.287 325 V C -0.388 175.458 176.094 -0.414 0.000 1.020 325 V CA -0.812 61.262 62.300 -0.377 0.000 0.850 325 V CB 1.727 33.384 31.823 -0.277 0.000 0.987 325 V HN 0.493 nan 8.190 nan 0.000 0.436 326 V N 4.120 123.775 119.914 -0.430 0.000 2.357 326 V HA 0.668 4.788 4.120 0.000 0.000 0.284 326 V C 0.520 176.453 176.094 -0.269 0.000 1.018 326 V CA -0.577 61.508 62.300 -0.358 0.000 0.841 326 V CB 1.590 33.167 31.823 -0.409 0.000 0.991 326 V HN 0.970 nan 8.190 nan 0.000 0.437 327 A N 6.485 129.166 122.820 -0.232 0.000 2.269 327 A HA 0.684 5.004 4.320 0.000 0.000 0.302 327 A C -0.227 177.205 177.584 -0.252 0.000 1.266 327 A CA -0.363 51.541 52.037 -0.222 0.000 0.894 327 A CB -0.003 18.888 19.000 -0.182 0.000 1.147 327 A HN 0.861 nan 8.150 nan 0.000 0.537 328 L N 4.859 125.882 121.223 -0.333 0.000 2.356 328 L HA 0.152 4.492 4.340 0.000 0.000 0.282 328 L C 0.952 177.610 176.870 -0.353 0.000 1.132 328 L CA -0.288 54.296 54.840 -0.427 0.000 0.923 328 L CB 0.284 41.917 42.059 -0.710 0.000 1.278 328 L HN 0.812 nan 8.230 nan 0.000 0.436 329 L N 2.177 123.237 121.223 -0.271 0.000 2.083 329 L HA -0.106 4.234 4.340 0.000 0.000 0.209 329 L C 2.467 179.249 176.870 -0.147 0.000 1.083 329 L CA 1.469 56.200 54.840 -0.181 0.000 0.752 329 L CB -0.620 41.343 42.059 -0.160 0.000 0.899 329 L HN 0.780 nan 8.230 nan 0.000 0.433 330 G N -1.022 107.654 108.800 -0.207 0.000 2.408 330 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 330 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 330 G C 1.822 176.716 174.900 -0.011 0.000 1.150 330 G CA 0.952 46.044 45.100 -0.015 0.000 0.776 330 G HN 0.339 nan 8.290 nan 0.000 0.542 331 S N 0.580 116.019 115.700 -0.435 0.000 2.368 331 S HA 0.097 4.567 4.470 0.000 0.000 0.224 331 S C 2.744 177.365 174.600 0.035 0.000 1.029 331 S CA 1.520 59.564 58.200 -0.259 0.000 0.988 331 S CB -0.421 62.483 63.200 -0.492 0.000 0.838 331 S HN 0.503 nan 8.310 nan 0.000 0.462 332 A N 2.080 124.906 122.820 0.010 0.000 1.877 332 A HA -0.089 4.231 4.320 0.000 0.000 0.216 332 A C 1.906 179.714 177.584 0.372 0.000 1.186 332 A CA 1.811 53.962 52.037 0.190 0.000 0.620 332 A CB -0.960 18.090 19.000 0.083 0.000 0.822 332 A HN 0.592 nan 8.150 nan 0.000 0.443 333 N N -0.846 117.969 118.700 0.192 0.000 2.519 333 N HA -0.069 4.671 4.740 0.000 0.000 0.186 333 N C 1.252 176.681 175.510 -0.135 0.000 1.062 333 N CA 0.863 53.911 53.050 -0.003 0.000 0.910 333 N CB -0.210 38.195 38.487 -0.137 0.000 0.958 333 N HN 0.451 nan 8.380 nan 0.000 0.445 334 R N 0.141 120.688 120.500 0.077 0.000 2.613 334 R HA 0.124 4.464 4.340 0.000 0.000 0.361 334 R C -0.863 175.567 176.300 0.217 0.000 1.072 334 R CA -0.241 55.906 56.100 0.078 0.000 1.089 334 R CB 0.249 30.575 30.300 0.043 0.000 1.343 334 R HN -0.044 nan 8.270 nan 0.000 0.571 335 D N 0.985 121.580 120.400 0.326 0.000 2.336 335 D HA 0.047 4.687 4.640 0.000 0.000 0.249 335 D C -1.452 174.984 176.300 0.227 0.000 1.213 335 D CA -2.271 51.893 54.000 0.274 0.000 0.870 335 D CB 1.502 42.481 40.800 0.298 0.000 1.076 335 D HN 0.056 nan 8.370 nan 0.000 0.483 336 P HA -0.132 nan 4.420 nan 0.000 0.226 336 P C 0.832 178.159 177.300 0.046 0.000 1.146 336 P CA 0.559 63.725 63.100 0.110 0.000 0.773 336 P CB 0.270 32.026 31.700 0.094 0.000 0.772 337 A N -0.266 122.575 122.820 0.034 0.000 2.067 337 A HA -0.068 4.252 4.320 0.000 0.000 0.217 337 A C 2.377 179.887 177.584 -0.123 0.000 1.156 337 A CA 1.225 53.253 52.037 -0.015 0.000 0.683 337 A CB -0.655 18.359 19.000 0.023 0.000 0.808 337 A HN 0.097 nan 8.150 nan 0.000 0.455 338 R N -1.876 118.479 120.500 -0.242 0.000 2.225 338 R HA 0.285 4.625 4.340 0.000 0.000 0.194 338 R C -0.964 174.832 176.300 -0.840 0.000 0.949 338 R CA 0.424 56.119 56.100 -0.675 0.000 1.088 338 R CB 0.064 29.645 30.300 -1.199 0.000 1.106 338 R HN 0.258 nan 8.270 nan 0.000 0.566 339 F N 2.150 122.036 119.950 -0.107 0.000 2.430 339 F HA 0.505 5.033 4.527 0.000 0.000 0.362 339 F C -2.168 173.618 175.800 -0.022 0.000 1.103 339 F CA -3.066 54.894 58.000 -0.066 0.000 1.045 339 F CB 1.631 40.599 39.000 -0.054 0.000 1.276 339 F HN -0.137 nan 8.300 nan 0.000 0.444 340 P HA 0.036 nan 4.420 nan 0.000 0.265 340 P C -0.426 176.933 177.300 0.099 0.000 1.193 340 P CA 0.352 63.498 63.100 0.076 0.000 0.765 340 P CB 0.408 32.134 31.700 0.043 0.000 0.823 341 D N 2.759 123.211 120.400 0.086 0.000 2.737 341 D HA -0.131 4.510 4.640 0.000 0.000 0.238 341 D C -1.171 175.189 176.300 0.100 0.000 1.157 341 D CA 0.270 54.321 54.000 0.085 0.000 0.694 341 D CB -0.725 40.118 40.800 0.072 0.000 1.021 341 D HN 0.384 nan 8.370 nan 0.000 0.420 342 P HA -0.173 nan 4.420 nan 0.000 0.218 342 P C 0.768 178.108 177.300 0.067 0.000 1.146 342 P CA 1.088 64.248 63.100 0.099 0.000 0.813 342 P CB 0.357 32.127 31.700 0.117 0.000 0.778 343 D N -0.590 119.867 120.400 0.096 0.000 2.340 343 D HA 0.062 4.702 4.640 0.000 0.000 0.220 343 D C 0.480 176.929 176.300 0.249 0.000 1.039 343 D CA 0.152 54.244 54.000 0.153 0.000 0.866 343 D CB 0.269 41.147 40.800 0.129 0.000 0.913 343 D HN 0.089 nan 8.370 nan 0.000 0.523 344 V N 1.836 121.835 119.914 0.142 0.000 2.465 344 V HA 0.101 4.221 4.120 0.000 0.000 0.279 344 V C 0.188 176.247 176.094 -0.058 0.000 1.045 344 V CA -0.823 61.517 62.300 0.066 0.000 0.938 344 V CB 1.824 33.679 31.823 0.053 0.000 0.986 344 V HN -0.024 nan 8.190 nan 0.000 0.467 345 L N 5.113 126.139 121.223 -0.328 0.000 2.334 345 L HA 0.430 4.770 4.340 0.000 0.000 0.286 345 L C -0.243 176.465 176.870 -0.270 0.000 1.108 345 L CA 0.368 54.894 54.840 -0.523 0.000 0.875 345 L CB 0.258 41.663 42.059 -1.090 0.000 1.246 345 L HN 0.705 nan 8.230 nan 0.000 0.439 346 D N 3.157 123.464 120.400 -0.155 0.000 2.464 346 D HA 0.107 4.747 4.640 0.000 0.000 0.243 346 D C 1.011 177.237 176.300 -0.123 0.000 1.104 346 D CA -0.363 53.586 54.000 -0.086 0.000 0.883 346 D CB 1.298 42.098 40.800 -0.000 0.000 1.050 346 D HN 0.325 nan 8.370 nan 0.000 0.524 347 V N 2.245 122.018 119.914 -0.236 0.000 3.383 347 V HA -0.044 4.076 4.120 0.000 0.000 0.272 347 V C 0.885 176.741 176.094 -0.396 0.000 1.181 347 V CA 1.075 63.188 62.300 -0.312 0.000 1.171 347 V CB -0.804 30.794 31.823 -0.374 0.000 0.800 347 V HN 0.521 nan 8.190 nan 0.000 0.515 348 H N 0.443 119.514 119.070 0.001 0.000 2.551 348 H HA 0.366 4.922 4.556 0.000 0.000 0.271 348 H C 0.947 176.289 175.328 0.024 0.000 0.984 348 H CA -0.216 55.839 56.048 0.012 0.000 1.164 348 H CB 0.155 29.922 29.762 0.008 0.000 1.437 348 H HN 0.527 nan 8.280 nan 0.000 0.550 349 R N 0.749 121.298 120.500 0.082 0.000 2.738 349 R HA 0.339 4.679 4.340 0.000 0.000 0.268 349 R C 0.401 176.754 176.300 0.088 0.000 1.062 349 R CA -0.165 55.993 56.100 0.096 0.000 1.158 349 R CB 0.650 31.014 30.300 0.107 0.000 1.046 349 R HN 0.093 nan 8.270 nan 0.000 0.493 350 A N 1.576 124.449 122.820 0.088 0.000 2.477 350 A HA 0.423 4.743 4.320 0.000 0.000 0.246 350 A C 0.253 177.891 177.584 0.090 0.000 1.078 350 A CA -0.108 51.973 52.037 0.074 0.000 0.770 350 A CB 0.386 19.417 19.000 0.052 0.000 1.011 350 A HN 0.795 nan 8.150 nan 0.000 0.494 351 A N 1.538 124.404 122.820 0.077 0.000 2.280 351 A HA 0.576 4.896 4.320 0.000 0.000 0.268 351 A C 0.640 178.285 177.584 0.101 0.000 1.111 351 A CA 0.085 52.174 52.037 0.087 0.000 0.814 351 A CB -0.073 18.968 19.000 0.068 0.000 1.093 351 A HN 1.163 nan 8.150 nan 0.000 0.498 352 E N -1.736 118.537 120.200 0.121 0.000 2.513 352 E HA -0.168 4.182 4.350 0.000 0.000 0.257 352 E C 0.423 177.126 176.600 0.172 0.000 1.098 352 E CA 0.931 57.413 56.400 0.136 0.000 0.752 352 E CB -1.123 28.628 29.700 0.086 0.000 1.324 352 E HN 0.622 nan 8.360 nan 0.000 0.403 353 R N -0.374 120.263 120.500 0.229 0.000 2.215 353 R HA 0.080 4.421 4.340 0.000 0.000 0.190 353 R C 0.576 177.168 176.300 0.488 0.000 0.968 353 R CA 1.225 57.508 56.100 0.305 0.000 1.122 353 R CB -0.372 30.106 30.300 0.297 0.000 1.151 353 R HN 0.388 nan 8.270 nan 0.000 0.582 354 Q N 1.301 121.342 119.800 0.401 0.000 2.315 354 Q HA 0.072 4.412 4.340 0.000 0.000 0.289 354 Q C 0.498 176.664 176.000 0.275 0.000 1.044 354 Q CA 0.260 56.245 55.803 0.304 0.000 0.920 354 Q CB 0.626 29.382 28.738 0.030 0.000 1.214 354 Q HN 0.113 nan 8.270 nan 0.000 0.392 355 V N 0.282 120.338 119.914 0.236 0.000 3.252 355 V HA 0.381 4.501 4.120 0.000 0.000 0.350 355 V C 1.154 177.246 176.094 -0.002 0.000 1.329 355 V CA 0.344 62.719 62.300 0.125 0.000 1.258 355 V CB -0.440 31.407 31.823 0.040 0.000 1.208 355 V HN 0.888 nan 8.190 nan 0.000 0.462 356 G N 0.312 109.059 108.800 -0.088 0.000 2.470 356 G HA2 -0.125 3.836 3.960 0.000 0.000 0.220 356 G HA3 -0.125 3.836 3.960 0.000 0.000 0.220 356 G C 0.811 175.473 174.900 -0.397 0.000 1.121 356 G CA 0.731 45.665 45.100 -0.276 0.000 0.766 356 G HN 0.588 nan 8.290 nan 0.000 0.553 357 F N 0.971 120.822 119.950 -0.165 0.000 2.639 357 F HA 0.436 4.963 4.527 0.000 0.000 0.302 357 F C 1.570 177.093 175.800 -0.461 0.000 1.097 357 F CA -0.099 57.666 58.000 -0.391 0.000 1.294 357 F CB 0.375 38.994 39.000 -0.635 0.000 1.027 357 F HN 0.355 nan 8.300 nan 0.000 0.550 358 G N 0.910 109.677 108.800 -0.054 0.000 2.568 358 G HA2 -0.142 3.818 3.960 0.000 0.000 0.222 358 G HA3 -0.142 3.818 3.960 0.000 0.000 0.222 358 G C -1.306 173.706 174.900 0.186 0.000 1.321 358 G CA -0.336 44.770 45.100 0.010 0.000 0.893 358 G HN 0.419 nan 8.290 nan 0.000 0.569 359 L N -0.614 120.741 121.223 0.221 0.000 2.735 359 L HA 0.661 5.001 4.340 0.000 0.000 0.258 359 L C 0.498 177.467 176.870 0.164 0.000 0.920 359 L CA 1.034 56.026 54.840 0.253 0.000 0.958 359 L CB 1.351 43.479 42.059 0.115 0.000 1.499 359 L HN 3.031 nan 8.230 nan 0.000 0.441 360 G N 3.203 112.086 108.800 0.138 0.000 2.416 360 G HA2 -0.188 3.772 3.960 0.000 0.000 0.203 360 G HA3 -0.188 3.772 3.960 0.000 0.000 0.203 360 G C 0.263 175.190 174.900 0.046 0.000 1.227 360 G CA -0.145 44.990 45.100 0.058 0.000 1.041 360 G HN 0.705 nan 8.290 nan 0.000 0.546 361 I N 1.081 121.617 120.570 -0.056 0.000 2.335 361 I HA -0.046 4.124 4.170 0.000 0.000 0.251 361 I C 1.921 177.955 176.117 -0.137 0.000 1.129 361 I CA 1.687 62.900 61.300 -0.144 0.000 1.402 361 I CB -0.210 37.594 38.000 -0.328 0.000 1.069 361 I HN 0.502 nan 8.210 nan 0.000 0.424 362 H N -1.445 117.698 119.070 0.122 0.000 2.519 362 H HA 0.148 4.705 4.556 0.000 0.000 0.289 362 H C -0.178 175.219 175.328 0.115 0.000 1.040 362 H CA -0.572 55.537 56.048 0.103 0.000 1.165 362 H CB -0.627 29.126 29.762 -0.016 0.000 1.462 362 H HN 0.249 nan 8.280 nan 0.000 0.555 363 Y N 1.622 121.980 120.300 0.097 0.000 2.810 363 Y HA -0.100 4.451 4.550 0.000 0.000 0.332 363 Y C 0.800 176.729 175.900 0.047 0.000 1.243 363 Y CA -0.462 57.680 58.100 0.070 0.000 1.537 363 Y CB 0.330 38.808 38.460 0.031 0.000 1.265 363 Y HN 0.289 nan 8.280 nan 0.000 0.572 364 C N 8.579 127.617 119.300 -0.436 0.000 2.334 364 C HA -0.106 4.355 4.460 0.000 0.000 0.395 364 C C 1.655 176.520 174.990 -0.210 0.000 1.507 364 C CA -0.407 58.444 59.018 -0.279 0.000 1.494 364 C CB -1.403 26.179 27.740 -0.263 0.000 2.509 364 C HN 1.013 nan 8.230 nan 0.000 0.599 365 L N 6.041 127.157 121.223 -0.178 0.000 2.156 365 L HA 0.217 4.557 4.340 0.000 0.000 0.208 365 L C 2.192 178.840 176.870 -0.370 0.000 1.095 365 L CA 2.367 57.087 54.840 -0.199 0.000 0.770 365 L CB -1.306 40.622 42.059 -0.217 0.000 0.914 365 L HN 0.948 nan 8.230 nan 0.000 0.439 366 G N -2.019 106.490 108.800 -0.485 0.000 3.284 366 G HA2 0.222 4.182 3.960 0.000 0.000 0.236 366 G HA3 0.222 4.182 3.960 0.000 0.000 0.236 366 G C 1.484 176.155 174.900 -0.382 0.000 1.158 366 G CA 0.475 45.243 45.100 -0.554 0.000 0.774 366 G HN 0.498 nan 8.290 nan 0.000 0.545 367 A N 0.661 123.193 122.820 -0.480 0.000 1.958 367 A HA -0.141 4.179 4.320 0.000 0.000 0.221 367 A C 2.481 179.718 177.584 -0.578 0.000 1.178 367 A CA 2.584 54.068 52.037 -0.922 0.000 0.642 367 A CB -0.748 17.594 19.000 -1.097 0.000 0.816 367 A HN 0.290 nan 8.150 nan 0.000 0.453 368 T N -0.428 113.953 114.554 -0.289 0.000 2.737 368 T HA -0.082 4.268 4.350 0.000 0.000 0.265 368 T C 1.838 176.487 174.700 -0.085 0.000 1.038 368 T CA 1.388 63.402 62.100 -0.144 0.000 1.144 368 T CB -0.326 68.512 68.868 -0.049 0.000 0.866 368 T HN 0.330 nan 8.240 nan 0.000 0.434 369 L N 1.455 122.643 121.223 -0.059 0.000 2.046 369 L HA 0.113 4.453 4.340 0.000 0.000 0.208 369 L C 2.592 179.447 176.870 -0.026 0.000 1.077 369 L CA 1.808 56.649 54.840 0.001 0.000 0.747 369 L CB -0.998 41.096 42.059 0.059 0.000 0.896 369 L HN 0.217 nan 8.230 nan 0.000 0.432 370 A N -0.466 122.314 122.820 -0.066 0.000 1.902 370 A HA -0.255 4.065 4.320 0.000 0.000 0.217 370 A C 2.540 180.127 177.584 0.005 0.000 1.181 370 A CA 1.826 53.860 52.037 -0.004 0.000 0.623 370 A CB -0.664 18.383 19.000 0.079 0.000 0.818 370 A HN 0.494 nan 8.150 nan 0.000 0.443 371 R N -0.504 119.983 120.500 -0.022 0.000 2.081 371 R HA -0.118 4.223 4.340 0.000 0.000 0.235 371 R C 2.287 178.587 176.300 0.000 0.000 1.131 371 R CA 1.440 57.532 56.100 -0.013 0.000 0.960 371 R CB -0.365 29.915 30.300 -0.033 0.000 0.856 371 R HN 0.465 nan 8.270 nan 0.000 0.436 372 A N 0.677 123.499 122.820 0.004 0.000 1.930 372 A HA -0.150 4.170 4.320 0.000 0.000 0.217 372 A C 1.850 179.460 177.584 0.043 0.000 1.175 372 A CA 1.431 53.482 52.037 0.024 0.000 0.627 372 A CB -0.323 18.688 19.000 0.019 0.000 0.815 372 A HN 0.462 nan 8.150 nan 0.000 0.443 373 E N -0.251 119.974 120.200 0.042 0.000 2.150 373 E HA -0.051 4.299 4.350 0.000 0.000 0.193 373 E C 2.277 178.945 176.600 0.112 0.000 0.985 373 E CA 0.764 57.200 56.400 0.058 0.000 0.814 373 E CB -0.231 29.493 29.700 0.041 0.000 0.752 373 E HN 0.626 nan 8.360 nan 0.000 0.466 374 A N 1.593 124.481 122.820 0.115 0.000 1.855 374 A HA -0.234 4.086 4.320 0.000 0.000 0.215 374 A C 1.946 179.672 177.584 0.237 0.000 1.191 374 A CA 1.459 53.632 52.037 0.226 0.000 0.613 374 A CB -0.407 18.576 19.000 -0.029 0.000 0.829 374 A HN 0.142 nan 8.150 nan 0.000 0.442 375 E N -0.254 120.027 120.200 0.136 0.000 2.031 375 E HA -0.162 4.188 4.350 0.000 0.000 0.193 375 E C 1.935 178.607 176.600 0.120 0.000 0.994 375 E CA 1.401 57.873 56.400 0.120 0.000 0.800 375 E CB -0.339 29.406 29.700 0.074 0.000 0.752 375 E HN 0.678 nan 8.360 nan 0.000 0.447 376 I N 0.921 121.556 120.570 0.108 0.000 2.315 376 I HA -0.151 4.020 4.170 0.000 0.000 0.248 376 I C 2.512 178.726 176.117 0.161 0.000 1.117 376 I CA 1.108 62.472 61.300 0.108 0.000 1.404 376 I CB -0.408 37.642 38.000 0.083 0.000 1.071 376 I HN 0.158 nan 8.210 nan 0.000 0.419 377 G N 0.619 109.543 108.800 0.206 0.000 2.403 377 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 377 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 377 G C 1.709 176.809 174.900 0.334 0.000 1.154 377 G CA 0.082 45.398 45.100 0.360 0.000 0.784 377 G HN 0.243 nan 8.290 nan 0.000 0.538 378 L N 0.006 121.366 121.223 0.229 0.000 2.027 378 L HA -0.021 4.319 4.340 0.000 0.000 0.206 378 L C 2.968 179.883 176.870 0.076 0.000 1.074 378 L CA 1.569 56.492 54.840 0.139 0.000 0.745 378 L CB -0.202 41.949 42.059 0.155 0.000 0.898 378 L HN 0.213 nan 8.230 nan 0.000 0.433 379 R N 0.644 121.197 120.500 0.088 0.000 2.081 379 R HA -0.131 4.209 4.340 0.000 0.000 0.235 379 R C 2.085 178.407 176.300 0.037 0.000 1.131 379 R CA 1.883 58.016 56.100 0.054 0.000 0.960 379 R CB -0.875 29.460 30.300 0.060 0.000 0.856 379 R HN 0.422 nan 8.270 nan 0.000 0.436 380 A N 0.600 123.461 122.820 0.070 0.000 1.883 380 A HA -0.115 4.205 4.320 0.000 0.000 0.217 380 A C 2.345 179.881 177.584 -0.079 0.000 1.186 380 A CA 1.650 53.715 52.037 0.046 0.000 0.624 380 A CB -0.686 18.420 19.000 0.176 0.000 0.822 380 A HN 0.363 nan 8.150 nan 0.000 0.444 381 L N -0.758 120.368 121.223 -0.161 0.000 2.017 381 L HA -0.195 4.146 4.340 0.000 0.000 0.208 381 L C 2.638 179.426 176.870 -0.137 0.000 1.073 381 L CA 1.187 55.867 54.840 -0.268 0.000 0.745 381 L CB -0.578 41.309 42.059 -0.286 0.000 0.894 381 L HN 0.387 nan 8.230 nan 0.000 0.432 382 L N -0.462 120.717 121.223 -0.072 0.000 2.017 382 L HA -0.245 4.096 4.340 0.000 0.000 0.208 382 L C 2.181 179.029 176.870 -0.037 0.000 1.073 382 L CA 1.271 56.085 54.840 -0.043 0.000 0.745 382 L CB -0.599 41.450 42.059 -0.017 0.000 0.894 382 L HN 0.296 nan 8.230 nan 0.000 0.432 383 D N -0.398 119.985 120.400 -0.028 0.000 2.234 383 D HA -0.075 4.565 4.640 0.000 0.000 0.205 383 D C 2.085 178.368 176.300 -0.030 0.000 0.962 383 D CA 1.296 55.285 54.000 -0.019 0.000 0.855 383 D CB -0.138 40.659 40.800 -0.004 0.000 0.951 383 D HN 0.337 nan 8.370 nan 0.000 0.500 384 G N -0.028 108.740 108.800 -0.053 0.000 2.539 384 G HA2 0.060 4.020 3.960 0.000 0.000 0.215 384 G HA3 0.060 4.020 3.960 0.000 0.000 0.215 384 G C 0.802 175.661 174.900 -0.069 0.000 1.141 384 G CA -0.071 44.993 45.100 -0.061 0.000 0.806 384 G HN 0.218 nan 8.290 nan 0.000 0.533 385 I N 1.294 121.815 120.570 -0.083 0.000 2.621 385 I HA 0.223 4.393 4.170 0.000 0.000 0.276 385 I C -1.871 174.217 176.117 -0.049 0.000 1.118 385 I CA -1.763 59.494 61.300 -0.071 0.000 1.159 385 I CB 2.371 40.311 38.000 -0.099 0.000 1.357 385 I HN -0.088 nan 8.210 nan 0.000 0.513 386 P HA -0.220 nan 4.420 nan 0.000 0.217 386 P C 1.267 178.555 177.300 -0.020 0.000 1.151 386 P CA 1.132 64.219 63.100 -0.023 0.000 0.849 386 P CB 0.331 32.021 31.700 -0.017 0.000 0.787 387 A N -1.745 121.063 122.820 -0.021 0.000 2.327 387 A HA 0.075 4.395 4.320 0.000 0.000 0.228 387 A C 1.747 179.322 177.584 -0.015 0.000 1.275 387 A CA -0.086 51.941 52.037 -0.015 0.000 0.875 387 A CB -1.398 17.594 19.000 -0.012 0.000 0.925 387 A HN 0.088 nan 8.150 nan 0.000 0.493 388 L N -0.144 121.064 121.223 -0.025 0.000 2.043 388 L HA -0.144 4.197 4.340 0.000 0.000 0.212 388 L C 2.176 179.043 176.870 -0.006 0.000 1.075 388 L CA 2.394 57.218 54.840 -0.027 0.000 0.752 388 L CB -0.372 41.660 42.059 -0.046 0.000 0.891 388 L HN 0.356 nan 8.230 nan 0.000 0.432 389 G N -1.120 107.677 108.800 -0.004 0.000 2.985 389 G HA2 0.070 4.030 3.960 0.000 0.000 0.209 389 G HA3 0.070 4.030 3.960 0.000 0.000 0.209 389 G C 0.665 175.569 174.900 0.006 0.000 1.165 389 G CA -0.325 44.779 45.100 0.006 0.000 0.776 389 G HN 0.263 nan 8.290 nan 0.000 0.541 390 R N -0.749 119.752 120.500 0.002 0.000 2.782 390 R HA 0.622 4.962 4.340 0.000 0.000 0.258 390 R C 0.754 177.053 176.300 -0.002 0.000 1.055 390 R CA -0.075 56.023 56.100 -0.003 0.000 1.065 390 R CB 0.869 31.166 30.300 -0.005 0.000 1.172 390 R HN 0.221 nan 8.270 nan 0.000 0.510 391 G N -0.045 108.749 108.800 -0.011 0.000 2.804 391 G HA2 -0.104 3.856 3.960 0.000 0.000 0.230 391 G HA3 -0.104 3.856 3.960 0.000 0.000 0.230 391 G C -0.716 174.166 174.900 -0.031 0.000 1.386 391 G CA -0.246 44.844 45.100 -0.015 0.000 0.875 391 G HN 0.798 nan 8.290 nan 0.000 0.557 392 A N 0.173 122.969 122.820 -0.040 0.000 2.269 392 A HA 0.940 5.260 4.320 0.000 0.000 0.327 392 A C 0.204 177.772 177.584 -0.027 0.000 1.112 392 A CA 0.468 52.448 52.037 -0.095 0.000 0.865 392 A CB 0.891 19.836 19.000 -0.092 0.000 1.227 392 A HN 1.924 nan 8.150 nan 0.000 0.498 393 H N -0.888 118.182 119.070 0.001 0.000 2.894 393 H HA 0.742 5.298 4.556 0.000 0.000 0.368 393 H C -1.353 173.979 175.328 0.006 0.000 1.181 393 H CA -0.675 55.373 56.048 -0.000 0.000 1.146 393 H CB 1.899 31.659 29.762 -0.003 0.000 1.839 393 H HN 0.529 nan 8.280 nan 0.000 0.557 394 E N 1.953 122.304 120.200 0.251 0.000 2.145 394 E HA 0.394 4.745 4.350 0.000 0.000 0.262 394 E C -1.945 174.722 176.600 0.112 0.000 0.883 394 E CA -0.800 55.697 56.400 0.161 0.000 0.748 394 E CB 1.625 31.372 29.700 0.077 0.000 1.140 394 E HN 0.510 nan 8.360 nan 0.000 0.417 395 V N 3.853 123.847 119.914 0.134 0.000 2.735 395 V HA 0.627 4.747 4.120 0.000 0.000 0.310 395 V C -1.404 174.725 176.094 0.058 0.000 1.061 395 V CA -0.559 61.750 62.300 0.014 0.000 0.913 395 V CB 1.813 33.592 31.823 -0.074 0.000 1.005 395 V HN 0.849 nan 8.190 nan 0.000 0.428 396 E N 4.685 124.878 120.200 -0.013 0.000 2.260 396 E HA 0.450 4.800 4.350 0.000 0.000 0.266 396 E C -2.028 174.561 176.600 -0.019 0.000 0.887 396 E CA -0.569 55.857 56.400 0.044 0.000 0.777 396 E CB 1.593 31.305 29.700 0.020 0.000 1.205 396 E HN 0.680 nan 8.360 nan 0.000 0.414 397 Y N 1.506 121.772 120.300 -0.056 0.000 2.354 397 Y HA 0.525 5.075 4.550 0.000 0.000 0.322 397 Y C 0.711 176.563 175.900 -0.079 0.000 1.253 397 Y CA -0.290 57.749 58.100 -0.102 0.000 1.272 397 Y CB 1.584 39.956 38.460 -0.146 0.000 1.255 397 Y HN 0.630 nan 8.280 nan 0.000 0.500 398 A N 1.326 124.174 122.820 0.047 0.000 2.340 398 A HA 0.226 4.547 4.320 0.000 0.000 0.268 398 A C -0.434 177.177 177.584 0.045 0.000 1.100 398 A CA -0.724 51.329 52.037 0.025 0.000 0.803 398 A CB -0.016 18.983 19.000 -0.002 0.000 1.043 398 A HN 0.720 nan 8.150 nan 0.000 0.488 399 D N 2.064 122.487 120.400 0.039 0.000 2.545 399 D HA 0.193 4.833 4.640 0.000 0.000 0.227 399 D C -0.846 175.467 176.300 0.023 0.000 1.150 399 D CA 0.896 54.918 54.000 0.036 0.000 1.046 399 D CB 0.204 41.026 40.800 0.037 0.000 1.098 399 D HN 0.462 nan 8.370 nan 0.000 0.502 400 D N 1.705 122.112 120.400 0.012 0.000 2.891 400 D HA 0.083 4.723 4.640 0.000 0.000 0.224 400 D C 0.195 176.479 176.300 -0.028 0.000 1.321 400 D CA -0.428 53.578 54.000 0.010 0.000 0.929 400 D CB 1.407 42.250 40.800 0.072 0.000 1.551 400 D HN -0.120 nan 8.370 nan 0.000 0.574 401 M N 3.141 122.643 119.600 -0.164 0.000 2.419 401 M HA 0.132 4.612 4.480 0.000 0.000 0.252 401 M C 0.854 176.995 176.300 -0.265 0.000 1.143 401 M CA 0.084 55.190 55.300 -0.324 0.000 0.985 401 M CB 0.557 32.672 32.600 -0.808 0.000 1.489 401 M HN 0.261 nan 8.290 nan 0.000 0.484 402 V N -1.377 118.425 119.914 -0.187 0.000 2.870 402 V HA 0.138 4.258 4.120 0.000 0.000 0.232 402 V C 0.128 175.967 176.094 -0.426 0.000 1.161 402 V CA 0.561 62.658 62.300 -0.338 0.000 1.204 402 V CB 0.100 31.689 31.823 -0.390 0.000 1.003 402 V HN 0.120 nan 8.190 nan 0.000 0.499 403 F N 2.136 122.092 119.950 0.010 0.000 2.384 403 F HA 0.379 4.907 4.527 0.000 0.000 0.359 403 F C 0.400 176.230 175.800 0.049 0.000 1.143 403 F CA -0.397 57.615 58.000 0.020 0.000 1.216 403 F CB -0.306 38.695 39.000 0.002 0.000 1.512 403 F HN 0.155 nan 8.300 nan 0.000 0.573 404 H N 2.351 121.449 119.070 0.046 0.000 2.652 404 H HA 0.650 5.206 4.556 0.000 0.000 0.298 404 H C 0.059 175.451 175.328 0.107 0.000 1.076 404 H CA 0.102 56.183 56.048 0.056 0.000 1.360 404 H CB 0.869 30.626 29.762 -0.008 0.000 1.421 404 H HN 0.767 nan 8.280 nan 0.000 0.464 405 G N 4.866 113.536 108.800 -0.216 0.000 2.328 405 G HA2 0.101 4.061 3.960 0.000 0.000 0.295 405 G HA3 0.101 4.061 3.960 0.000 0.000 0.295 405 G C -3.362 171.236 174.900 -0.504 0.000 1.413 405 G CA -1.097 43.834 45.100 -0.283 0.000 0.817 405 G HN 0.322 nan 8.290 nan 0.000 0.546 406 P HA 0.194 nan 4.420 nan 0.000 0.271 406 P C 1.123 178.233 177.300 -0.318 0.000 1.216 406 P CA 0.131 62.821 63.100 -0.684 0.000 0.771 406 P CB 1.001 32.318 31.700 -0.639 0.000 0.864 407 T N 0.655 115.082 114.554 -0.211 0.000 3.067 407 T HA 0.036 4.387 4.350 0.000 0.000 0.261 407 T C 0.547 175.190 174.700 -0.096 0.000 1.110 407 T CA 0.214 62.245 62.100 -0.116 0.000 1.113 407 T CB -0.210 68.621 68.868 -0.062 0.000 0.917 407 T HN 0.575 nan 8.240 nan 0.000 0.499 408 R N -0.701 119.727 120.500 -0.119 0.000 2.604 408 R HA 0.617 4.957 4.340 0.000 0.000 0.261 408 R C -2.443 173.791 176.300 -0.110 0.000 1.080 408 R CA -1.140 54.910 56.100 -0.084 0.000 0.917 408 R CB 0.849 31.124 30.300 -0.042 0.000 1.252 408 R HN 0.105 nan 8.270 nan 0.000 0.456 409 L N 3.653 124.821 121.223 -0.091 0.000 2.485 409 L HA 0.425 4.765 4.340 0.000 0.000 0.260 409 L C -1.664 175.176 176.870 -0.050 0.000 0.998 409 L CA -0.739 54.036 54.840 -0.108 0.000 0.883 409 L CB 1.732 43.696 42.059 -0.160 0.000 1.196 409 L HN 0.616 nan 8.230 nan 0.000 0.443 410 L N 4.297 125.512 121.223 -0.013 0.000 2.350 410 L HA 0.450 4.790 4.340 0.000 0.000 0.275 410 L C -0.398 176.496 176.870 0.041 0.000 1.099 410 L CA -0.266 54.583 54.840 0.015 0.000 0.808 410 L CB 1.472 43.546 42.059 0.026 0.000 1.149 410 L HN 0.521 nan 8.230 nan 0.000 0.442 411 L N 2.772 124.013 121.223 0.030 0.000 2.386 411 L HA 0.417 4.757 4.340 0.000 0.000 0.271 411 L C -0.121 176.765 176.870 0.026 0.000 0.993 411 L CA -0.283 54.580 54.840 0.039 0.000 0.819 411 L CB 1.786 43.854 42.059 0.014 0.000 1.294 411 L HN 0.449 nan 8.230 nan 0.000 0.414 412 D N 3.820 124.237 120.400 0.028 0.000 2.317 412 D HA 0.538 5.178 4.640 0.000 0.000 0.252 412 D C -0.715 175.589 176.300 0.007 0.000 1.174 412 D CA 0.197 54.206 54.000 0.014 0.000 0.866 412 D CB 1.018 41.824 40.800 0.009 0.000 1.127 412 D HN 0.397 nan 8.370 nan 0.000 0.467 413 L N 1.425 122.650 121.223 0.003 0.000 2.940 413 L HA 0.562 4.902 4.340 0.000 0.000 0.270 413 L C -2.727 174.142 176.870 -0.001 0.000 1.030 413 L CA -1.255 53.585 54.840 -0.001 0.000 0.928 413 L CB -0.232 41.824 42.059 -0.005 0.000 1.506 413 L HN 0.168 nan 8.230 nan 0.000 0.405 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 414 P CB 0.000 31.698 31.700 -0.004 0.000 0.726