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 1cf1_1_B DATA FIRST_RESID 9 DATA SEQUENCE NHVIFKKISR DKSVTIYLGK RDYIDHVERV EPVDGVVLVD PELVKGKRVY DATA SEQUENCE VSLTCAFRYG QXXXXXXXXS FRRDLYFSQV QVFPPVGASG ATTRLQESLI DATA SEQUENCE KKLGANTYPF LLTFPDYLPC SVMLQPAPQD VGKSCGVDFE IKAFATHSTD DATA SEQUENCE VEEDKIPKKS SVRLLIRKVQ HAPRDMGPQP RAEASWQFFM SDKPLRLAVS DATA SEQUENCE LSKEIYYHGE PIPVTVAVTN STEKTVKKIK VLVEQVTNVV LYSSDYYIKT DATA SEQUENCE VAAEEAQEKV PPNSSLTKTL TLVPLLANNR ERRGIALDGK IKHEDTNLAS DATA SEQUENCE STIIKEGIDK TVMGILVSYQ IKVKLTVSGL LGELTSSEVA TEVPFRLMHP DATA SEQUENCE QPEDXXXXXX XXXDENFVFE EFARQNL 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.511 175.510 0.002 0.000 1.280 9 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 9 N CB 0.000 38.463 38.487 -0.041 0.000 1.341 10 H N 0.949 119.962 119.070 -0.095 0.000 3.013 10 H HA 0.409 4.965 4.556 0.000 0.000 0.326 10 H C -0.999 174.306 175.328 -0.038 0.000 0.973 10 H CA -0.584 55.447 56.048 -0.028 0.000 1.369 10 H CB 1.111 30.896 29.762 0.039 0.000 1.598 10 H HN 0.155 nan 8.280 nan 0.000 0.518 11 V N 6.590 126.587 119.914 0.138 0.000 2.555 11 V HA 0.103 4.223 4.120 -0.000 0.000 0.286 11 V C 0.162 176.035 176.094 -0.369 0.000 1.044 11 V CA -0.160 62.023 62.300 -0.194 0.000 1.026 11 V CB 0.825 32.485 31.823 -0.272 0.000 0.981 11 V HN 0.591 nan 8.190 nan 0.000 0.480 12 I N 4.960 125.193 120.570 -0.561 0.000 2.509 12 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 12 I C -0.405 175.484 176.117 -0.379 0.000 1.020 12 I CA -0.539 60.510 61.300 -0.419 0.000 1.088 12 I CB 1.731 39.495 38.000 -0.393 0.000 1.267 12 I HN 0.402 nan 8.210 nan 0.000 0.430 13 F N 5.155 125.232 119.950 0.211 0.000 2.399 13 F HA 0.563 5.090 4.527 -0.000 0.000 0.334 13 F C 0.582 176.536 175.800 0.257 0.000 1.097 13 F CA -0.539 57.615 58.000 0.257 0.000 1.076 13 F CB 1.282 40.471 39.000 0.315 0.000 1.162 13 F HN 0.344 nan 8.300 nan 0.000 0.495 14 K N 1.328 121.903 120.400 0.291 0.000 2.512 14 K HA 0.754 5.074 4.320 -0.000 0.000 0.263 14 K C -1.873 174.724 176.600 -0.005 0.000 0.966 14 K CA -1.197 55.050 56.287 -0.067 0.000 0.851 14 K CB 2.996 35.235 32.500 -0.436 0.000 1.395 14 K HN 0.643 nan 8.250 nan 0.000 0.440 15 K N 2.462 122.781 120.400 -0.134 0.000 2.550 15 K HA 0.405 4.725 4.320 -0.000 0.000 0.252 15 K C -1.652 174.874 176.600 -0.123 0.000 0.943 15 K CA -0.637 55.611 56.287 -0.064 0.000 0.806 15 K CB 1.646 34.131 32.500 -0.025 0.000 1.289 15 K HN 0.706 nan 8.250 nan 0.000 0.435 16 I N 3.055 123.575 120.570 -0.083 0.000 2.412 16 I HA 0.224 4.394 4.170 -0.000 0.000 0.296 16 I C 0.480 176.571 176.117 -0.043 0.000 0.987 16 I CA -0.791 60.463 61.300 -0.077 0.000 1.180 16 I CB 1.994 39.955 38.000 -0.065 0.000 1.340 16 I HN 0.728 nan 8.210 nan 0.000 0.455 17 S N 5.626 121.303 115.700 -0.039 0.000 2.584 17 S HA 0.159 4.629 4.470 -0.000 0.000 0.270 17 S C 1.201 175.792 174.600 -0.014 0.000 1.346 17 S CA -0.376 57.812 58.200 -0.020 0.000 1.018 17 S CB 1.227 64.419 63.200 -0.012 0.000 0.899 17 S HN 0.774 nan 8.310 nan 0.000 0.542 18 R N 1.093 121.590 120.500 -0.005 0.000 2.083 18 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 18 R C 1.337 177.633 176.300 -0.006 0.000 1.137 18 R CA 2.265 58.363 56.100 -0.003 0.000 0.951 18 R CB -0.918 29.383 30.300 0.001 0.000 0.851 18 R HN 0.957 nan 8.270 nan 0.000 0.434 19 D N -0.023 120.373 120.400 -0.005 0.000 2.363 19 D HA -0.092 4.548 4.640 -0.000 0.000 0.226 19 D C -0.143 176.146 176.300 -0.019 0.000 1.020 19 D CA 0.387 54.381 54.000 -0.010 0.000 0.892 19 D CB -0.164 40.632 40.800 -0.007 0.000 0.900 19 D HN 0.252 nan 8.370 nan 0.000 0.531 20 K N -0.860 119.527 120.400 -0.021 0.000 3.129 20 K HA -0.193 4.127 4.320 -0.000 0.000 0.273 20 K C 0.847 177.425 176.600 -0.037 0.000 1.123 20 K CA 0.852 57.122 56.287 -0.028 0.000 0.800 20 K CB -2.365 30.120 32.500 -0.024 0.000 1.238 20 K HN 0.451 nan 8.250 nan 0.000 0.492 21 S N -1.470 114.204 115.700 -0.043 0.000 2.483 21 S HA 0.152 4.622 4.470 -0.000 0.000 0.221 21 S C 0.725 175.278 174.600 -0.077 0.000 1.030 21 S CA 0.048 58.209 58.200 -0.066 0.000 0.925 21 S CB 0.660 63.817 63.200 -0.073 0.000 0.795 21 S HN 0.071 nan 8.310 nan 0.000 0.511 22 V N 2.054 121.932 119.914 -0.059 0.000 2.487 22 V HA 0.707 4.827 4.120 -0.000 0.000 0.298 22 V C -0.509 175.554 176.094 -0.051 0.000 1.028 22 V CA -0.297 61.967 62.300 -0.060 0.000 0.860 22 V CB 1.403 33.188 31.823 -0.062 0.000 0.991 22 V HN 0.467 nan 8.190 nan 0.000 0.427 23 T N 5.675 120.205 114.554 -0.040 0.000 2.949 23 T HA 0.577 4.927 4.350 -0.000 0.000 0.300 23 T C -0.933 173.712 174.700 -0.091 0.000 0.988 23 T CA -0.315 61.727 62.100 -0.096 0.000 0.993 23 T CB 0.952 69.756 68.868 -0.105 0.000 0.984 23 T HN 0.588 nan 8.240 nan 0.000 0.442 24 I N 4.974 125.460 120.570 -0.140 0.000 2.440 24 I HA 0.601 4.771 4.170 -0.000 0.000 0.294 24 I C -1.454 174.592 176.117 -0.117 0.000 0.995 24 I CA -0.962 60.320 61.300 -0.030 0.000 1.306 24 I CB 0.754 38.728 38.000 -0.042 0.000 1.407 24 I HN 0.710 nan 8.210 nan 0.000 0.501 25 Y N 6.715 127.127 120.300 0.187 0.000 2.361 25 Y HA 0.574 5.124 4.550 -0.000 0.000 0.337 25 Y C -0.617 175.429 175.900 0.243 0.000 0.965 25 Y CA -0.589 57.628 58.100 0.194 0.000 1.091 25 Y CB 1.703 40.232 38.460 0.115 0.000 1.182 25 Y HN 0.321 nan 8.280 nan 0.000 0.450 26 L N 1.344 122.826 121.223 0.433 0.000 2.370 26 L HA 0.545 4.885 4.340 -0.000 0.000 0.266 26 L C 1.085 178.205 176.870 0.416 0.000 1.002 26 L CA -0.687 54.408 54.840 0.425 0.000 0.818 26 L CB 2.343 44.711 42.059 0.516 0.000 1.325 26 L HN 0.912 nan 8.230 nan 0.000 0.418 27 G N 1.244 110.237 108.800 0.322 0.000 2.551 27 G HA2 0.046 4.006 3.960 -0.000 0.000 0.216 27 G HA3 0.046 4.006 3.960 -0.000 0.000 0.216 27 G C 0.450 175.559 174.900 0.347 0.000 1.137 27 G CA 0.493 45.745 45.100 0.254 0.000 0.798 27 G HN 0.503 nan 8.290 nan 0.000 0.536 28 K N -1.973 118.604 120.400 0.294 0.000 2.469 28 K HA 0.578 4.898 4.320 -0.000 0.000 0.268 28 K C 0.327 176.930 176.600 0.005 0.000 1.027 28 K CA -0.863 55.451 56.287 0.044 0.000 0.893 28 K CB 1.887 34.119 32.500 -0.445 0.000 1.460 28 K HN -0.183 nan 8.250 nan 0.000 0.449 29 R N 0.085 120.415 120.500 -0.283 0.000 2.287 29 R HA 0.143 4.483 4.340 -0.000 0.000 0.197 29 R C -0.667 175.649 176.300 0.025 0.000 0.900 29 R CA 0.390 56.359 56.100 -0.218 0.000 1.052 29 R CB 0.650 30.460 30.300 -0.816 0.000 1.117 29 R HN 0.531 nan 8.270 nan 0.000 0.568 30 D N 0.022 120.330 120.400 -0.153 0.000 2.502 30 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 30 D C -1.109 175.034 176.300 -0.261 0.000 1.092 30 D CA -0.328 53.618 54.000 -0.091 0.000 0.839 30 D CB 1.566 42.287 40.800 -0.131 0.000 1.264 30 D HN -0.084 nan 8.370 nan 0.000 0.511 31 Y N 0.916 121.193 120.300 -0.038 0.000 2.331 31 Y HA 0.368 4.918 4.550 -0.000 0.000 0.338 31 Y C 0.883 176.717 175.900 -0.110 0.000 0.992 31 Y CA -0.761 57.319 58.100 -0.033 0.000 1.121 31 Y CB 1.145 39.651 38.460 0.077 0.000 1.184 31 Y HN 0.197 nan 8.280 nan 0.000 0.469 32 I N 3.799 124.358 120.570 -0.019 0.000 2.556 32 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 32 I C -0.105 176.030 176.117 0.029 0.000 1.114 32 I CA 0.394 61.691 61.300 -0.005 0.000 1.418 32 I CB 0.512 38.389 38.000 -0.205 0.000 1.394 32 I HN 0.568 nan 8.210 nan 0.000 0.552 33 D N 7.105 127.548 120.400 0.072 0.000 2.408 33 D HA 0.145 4.785 4.640 -0.000 0.000 0.261 33 D C -0.602 175.770 176.300 0.119 0.000 1.190 33 D CA -0.465 53.536 54.000 0.002 0.000 0.910 33 D CB 0.477 41.204 40.800 -0.122 0.000 1.097 33 D HN 0.466 nan 8.370 nan 0.000 0.522 34 H N 1.500 120.586 119.070 0.027 0.000 2.467 34 H HA 0.257 4.812 4.556 -0.000 0.000 0.331 34 H C 1.378 176.723 175.328 0.029 0.000 1.120 34 H CA -0.738 55.344 56.048 0.055 0.000 1.270 34 H CB 0.975 30.764 29.762 0.046 0.000 1.466 34 H HN -0.008 nan 8.280 nan 0.000 0.504 35 V N 2.208 122.124 119.914 0.003 0.000 2.280 35 V HA -0.408 3.712 4.120 -0.000 0.000 0.258 35 V C 2.112 178.111 176.094 -0.158 0.000 1.081 35 V CA 2.520 64.787 62.300 -0.056 0.000 1.070 35 V CB -0.877 30.956 31.823 0.017 0.000 0.666 35 V HN 0.686 nan 8.190 nan 0.000 0.450 36 E N 0.886 120.950 120.200 -0.228 0.000 2.068 36 E HA -0.168 4.182 4.350 -0.000 0.000 0.207 36 E C 1.107 177.561 176.600 -0.243 0.000 1.032 36 E CA 2.022 58.298 56.400 -0.206 0.000 0.839 36 E CB -0.143 29.473 29.700 -0.140 0.000 0.758 36 E HN 0.918 nan 8.360 nan 0.000 0.457 37 R N -2.830 117.402 120.500 -0.446 0.000 2.747 37 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 37 R C -1.620 174.530 176.300 -0.250 0.000 1.032 37 R CA -0.822 55.130 56.100 -0.247 0.000 0.896 37 R CB 1.287 31.518 30.300 -0.116 0.000 1.253 37 R HN -0.144 nan 8.270 nan 0.000 0.461 38 V N 0.654 120.513 119.914 -0.092 0.000 2.448 38 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 38 V C -0.063 176.094 176.094 0.105 0.000 1.025 38 V CA -0.748 61.534 62.300 -0.029 0.000 0.859 38 V CB 1.429 33.201 31.823 -0.085 0.000 0.988 38 V HN 0.826 nan 8.190 nan 0.000 0.431 39 E N 7.450 127.732 120.200 0.136 0.000 2.694 39 E HA 0.013 4.363 4.350 -0.000 0.000 0.250 39 E C -2.126 174.693 176.600 0.365 0.000 0.963 39 E CA -0.890 55.639 56.400 0.214 0.000 0.949 39 E CB 0.721 30.531 29.700 0.184 0.000 0.911 39 E HN 0.465 nan 8.360 nan 0.000 0.500 40 P HA 0.037 nan 4.420 nan 0.000 0.276 40 P C -0.746 176.644 177.300 0.150 0.000 1.244 40 P CA -0.411 62.793 63.100 0.175 0.000 0.801 40 P CB 1.068 32.812 31.700 0.074 0.000 1.006 41 V N 3.555 123.397 119.914 -0.120 0.000 2.389 41 V HA 0.183 4.303 4.120 -0.000 0.000 0.264 41 V C 0.476 176.487 176.094 -0.137 0.000 1.049 41 V CA 0.093 62.257 62.300 -0.226 0.000 0.932 41 V CB 0.266 31.813 31.823 -0.460 0.000 1.011 41 V HN 0.677 nan 8.190 nan 0.000 0.475 42 D N 3.723 124.069 120.400 -0.089 0.000 2.481 42 D HA 0.795 5.435 4.640 -0.000 0.000 0.244 42 D C -0.027 176.025 176.300 -0.413 0.000 1.057 42 D CA -0.391 53.421 54.000 -0.313 0.000 0.848 42 D CB 2.675 43.397 40.800 -0.130 0.000 1.388 42 D HN 0.635 nan 8.370 nan 0.000 0.475 43 G N -0.441 107.826 108.800 -0.888 0.000 2.494 43 G HA2 0.575 4.535 3.960 -0.000 0.000 0.308 43 G HA3 0.575 4.535 3.960 -0.000 0.000 0.308 43 G C -1.282 173.357 174.900 -0.436 0.000 1.263 43 G CA -0.177 44.605 45.100 -0.530 0.000 0.840 43 G HN 1.105 nan 8.290 nan 0.000 0.479 44 V N -2.987 117.014 119.914 0.145 0.000 3.114 44 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 44 V C -1.002 175.392 176.094 0.501 0.000 1.168 44 V CA -1.054 61.432 62.300 0.310 0.000 1.015 44 V CB 1.556 33.437 31.823 0.096 0.000 1.050 44 V HN 0.936 nan 8.190 nan 0.000 0.433 45 V N 3.384 123.541 119.914 0.405 0.000 2.448 45 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 45 V C -0.476 175.774 176.094 0.261 0.000 1.025 45 V CA -0.450 62.022 62.300 0.287 0.000 0.859 45 V CB 1.459 33.365 31.823 0.138 0.000 0.988 45 V HN 0.909 nan 8.190 nan 0.000 0.431 46 L N 7.121 128.493 121.223 0.248 0.000 2.257 46 L HA 0.631 4.971 4.340 -0.000 0.000 0.290 46 L C -0.330 176.594 176.870 0.090 0.000 1.044 46 L CA 0.404 55.348 54.840 0.173 0.000 0.810 46 L CB 1.361 43.562 42.059 0.236 0.000 1.193 46 L HN 0.432 nan 8.230 nan 0.000 0.425 47 V N 4.313 124.268 119.914 0.070 0.000 2.630 47 V HA 0.349 4.469 4.120 -0.000 0.000 0.305 47 V C -0.369 175.684 176.094 -0.068 0.000 1.046 47 V CA -0.758 61.503 62.300 -0.064 0.000 0.934 47 V CB 1.821 33.502 31.823 -0.236 0.000 1.003 47 V HN 0.757 nan 8.190 nan 0.000 0.451 48 D N 4.889 125.223 120.400 -0.110 0.000 2.396 48 D HA 0.269 4.909 4.640 -0.000 0.000 0.225 48 D C -1.833 174.396 176.300 -0.118 0.000 1.121 48 D CA -1.812 52.139 54.000 -0.081 0.000 0.853 48 D CB 2.138 42.897 40.800 -0.069 0.000 1.043 48 D HN 0.162 nan 8.370 nan 0.000 0.500 49 P HA -0.197 nan 4.420 nan 0.000 0.218 49 P C 1.046 178.312 177.300 -0.056 0.000 1.154 49 P CA 1.177 64.242 63.100 -0.058 0.000 0.872 49 P CB 0.467 32.178 31.700 0.018 0.000 0.790 50 E N -0.526 119.647 120.200 -0.045 0.000 2.047 50 E HA -0.107 4.242 4.350 -0.000 0.000 0.191 50 E C 1.768 178.332 176.600 -0.060 0.000 0.987 50 E CA 1.056 57.433 56.400 -0.039 0.000 0.799 50 E CB -0.985 28.697 29.700 -0.031 0.000 0.752 50 E HN 0.157 nan 8.360 nan 0.000 0.449 51 L N -0.616 120.560 121.223 -0.078 0.000 2.552 51 L HA 0.024 4.364 4.340 -0.000 0.000 0.227 51 L C 1.608 178.406 176.870 -0.120 0.000 1.146 51 L CA 0.070 54.855 54.840 -0.091 0.000 0.858 51 L CB 0.263 42.274 42.059 -0.080 0.000 0.969 51 L HN 0.023 nan 8.230 nan 0.000 0.451 52 V N -0.970 118.851 119.914 -0.155 0.000 3.605 52 V HA 0.041 4.161 4.120 -0.000 0.000 0.284 52 V C 1.139 177.166 176.094 -0.111 0.000 1.386 52 V CA -0.119 62.051 62.300 -0.217 0.000 1.053 52 V CB 0.226 31.756 31.823 -0.489 0.000 0.857 52 V HN 0.231 nan 8.190 nan 0.000 0.436 53 K N 0.944 121.313 120.400 -0.051 0.000 2.477 53 K HA 0.069 4.389 4.320 -0.000 0.000 0.275 53 K C 1.237 177.863 176.600 0.043 0.000 1.054 53 K CA 1.144 57.447 56.287 0.028 0.000 1.135 53 K CB -0.147 32.356 32.500 0.005 0.000 0.854 53 K HN 0.504 nan 8.250 nan 0.000 0.484 54 G N 3.057 111.914 108.800 0.095 0.000 2.153 54 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 54 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 54 G C -0.307 174.654 174.900 0.101 0.000 0.994 54 G CA 0.699 45.845 45.100 0.078 0.000 0.698 54 G HN 0.587 nan 8.290 nan 0.000 0.521 55 K N -0.554 119.925 120.400 0.133 0.000 2.258 55 K HA 0.729 5.049 4.320 -0.000 0.000 0.236 55 K C 0.273 176.962 176.600 0.150 0.000 1.008 55 K CA -1.011 55.359 56.287 0.138 0.000 0.869 55 K CB 1.360 33.917 32.500 0.095 0.000 1.171 55 K HN 0.116 nan 8.250 nan 0.000 0.447 56 R N 0.770 121.318 120.500 0.080 0.000 2.637 56 R HA 0.498 4.838 4.340 -0.000 0.000 0.291 56 R C -1.016 175.146 176.300 -0.229 0.000 0.963 56 R CA -0.905 55.139 56.100 -0.093 0.000 0.901 56 R CB 1.769 31.999 30.300 -0.117 0.000 1.160 56 R HN 0.241 nan 8.270 nan 0.000 0.457 57 V N 3.803 123.469 119.914 -0.414 0.000 2.487 57 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 57 V C -1.118 174.534 176.094 -0.737 0.000 1.028 57 V CA -0.769 61.265 62.300 -0.443 0.000 0.860 57 V CB 1.240 32.908 31.823 -0.257 0.000 0.991 57 V HN 0.611 nan 8.190 nan 0.000 0.427 58 Y N 2.657 122.576 120.300 -0.634 0.000 2.630 58 Y HA 0.819 5.369 4.550 -0.000 0.000 0.337 58 Y C -0.130 175.331 175.900 -0.731 0.000 1.051 58 Y CA -1.229 56.482 58.100 -0.649 0.000 1.121 58 Y CB 2.112 40.166 38.460 -0.677 0.000 1.299 58 Y HN 0.321 nan 8.280 nan 0.000 0.498 59 V N 1.338 121.070 119.914 -0.302 0.000 2.638 59 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 59 V C -0.840 175.149 176.094 -0.174 0.000 1.052 59 V CA -0.864 61.227 62.300 -0.349 0.000 0.885 59 V CB 1.678 33.078 31.823 -0.705 0.000 0.999 59 V HN 0.827 nan 8.190 nan 0.000 0.424 60 S N 4.580 120.234 115.700 -0.077 0.000 2.542 60 S HA 0.869 5.339 4.470 -0.000 0.000 0.293 60 S C -1.207 173.287 174.600 -0.177 0.000 1.089 60 S CA -0.763 57.344 58.200 -0.154 0.000 0.961 60 S CB 2.147 65.321 63.200 -0.043 0.000 1.062 60 S HN 0.745 nan 8.310 nan 0.000 0.483 61 L N 2.140 123.193 121.223 -0.283 0.000 2.305 61 L HA 0.754 5.094 4.340 -0.000 0.000 0.284 61 L C -0.857 175.931 176.870 -0.136 0.000 1.013 61 L CA 0.274 55.025 54.840 -0.148 0.000 0.819 61 L CB 1.447 43.423 42.059 -0.139 0.000 1.227 61 L HN 0.932 nan 8.230 nan 0.000 0.417 62 T N 3.849 118.419 114.554 0.026 0.000 2.861 62 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 62 T C -1.204 173.565 174.700 0.115 0.000 1.003 62 T CA -0.425 61.731 62.100 0.093 0.000 0.977 62 T CB 1.273 70.215 68.868 0.123 0.000 0.996 62 T HN 0.730 nan 8.240 nan 0.000 0.448 63 C N 3.404 122.771 119.300 0.111 0.000 2.340 63 C HA 0.917 5.377 4.460 -0.000 0.000 0.323 63 C C -0.334 174.617 174.990 -0.065 0.000 1.260 63 C CA -0.108 58.829 59.018 -0.134 0.000 1.464 63 C CB -1.154 26.523 27.740 -0.106 0.000 2.156 63 C HN 1.117 nan 8.230 nan 0.000 0.476 64 A N 4.840 127.583 122.820 -0.127 0.000 2.572 64 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 64 A C -1.375 176.223 177.584 0.023 0.000 1.072 64 A CA -0.452 51.575 52.037 -0.017 0.000 0.691 64 A CB 1.031 20.016 19.000 -0.026 0.000 1.291 64 A HN 1.158 nan 8.150 nan 0.000 0.404 65 F N 2.240 122.174 119.950 -0.027 0.000 2.404 65 F HA 0.738 5.265 4.527 -0.000 0.000 0.339 65 F C 0.532 176.361 175.800 0.047 0.000 1.105 65 F CA -0.407 57.619 58.000 0.043 0.000 1.087 65 F CB 1.099 40.177 39.000 0.129 0.000 1.143 65 F HN 0.719 nan 8.300 nan 0.000 0.491 66 R N 4.826 124.829 120.500 -0.828 0.000 2.744 66 R HA 0.591 4.931 4.340 -0.000 0.000 0.279 66 R C -2.403 173.495 176.300 -0.671 0.000 0.977 66 R CA -0.975 54.795 56.100 -0.549 0.000 0.906 66 R CB 1.980 32.099 30.300 -0.303 0.000 1.197 66 R HN 0.754 nan 8.270 nan 0.000 0.463 67 Y N 0.841 120.939 120.300 -0.336 0.000 2.433 67 Y HA 0.515 5.065 4.550 -0.000 0.000 0.337 67 Y C 0.272 176.118 175.900 -0.090 0.000 1.026 67 Y CA 0.788 58.797 58.100 -0.151 0.000 1.037 67 Y CB 2.149 40.667 38.460 0.096 0.000 1.245 67 Y HN 1.120 nan 8.280 nan 0.000 0.443 68 G N 3.224 111.859 108.800 -0.276 0.000 2.893 68 G HA2 0.026 3.986 3.960 -0.000 0.000 0.222 68 G HA3 0.026 3.986 3.960 -0.000 0.000 0.222 68 G C -0.543 174.294 174.900 -0.106 0.000 1.345 68 G CA 0.133 45.187 45.100 -0.078 0.000 1.129 68 G HN 1.021 nan 8.290 nan 0.000 0.560 79 F N 2.074 121.861 119.950 -0.272 0.000 2.631 79 F HA 0.771 5.298 4.527 -0.000 0.000 0.308 79 F C -1.266 174.454 175.800 -0.134 0.000 1.097 79 F CA -0.512 57.307 58.000 -0.303 0.000 0.952 79 F CB 1.605 40.160 39.000 -0.742 0.000 1.307 79 F HN 0.050 nan 8.300 nan 0.000 0.450 80 R N 3.950 123.814 120.500 -1.060 0.000 2.561 80 R HA 0.621 4.961 4.340 -0.000 0.000 0.266 80 R C -2.247 173.568 176.300 -0.809 0.000 1.091 80 R CA -0.857 54.839 56.100 -0.672 0.000 0.927 80 R CB 1.820 31.915 30.300 -0.342 0.000 1.240 80 R HN 0.836 nan 8.270 nan 0.000 0.449 81 R N 2.721 123.025 120.500 -0.326 0.000 2.502 81 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 81 R C -1.418 174.891 176.300 0.014 0.000 1.018 81 R CA -0.500 55.520 56.100 -0.133 0.000 0.899 81 R CB 1.321 31.673 30.300 0.086 0.000 1.181 81 R HN 0.589 nan 8.270 nan 0.000 0.444 82 D N 5.196 125.589 120.400 -0.012 0.000 2.350 82 D HA 0.113 4.753 4.640 -0.000 0.000 0.249 82 D C 0.659 177.019 176.300 0.100 0.000 1.119 82 D CA 0.099 54.121 54.000 0.036 0.000 0.886 82 D CB 1.431 42.236 40.800 0.008 0.000 1.195 82 D HN 0.550 nan 8.370 nan 0.000 0.437 83 L N 1.442 122.754 121.223 0.149 0.000 2.642 83 L HA 0.175 4.515 4.340 -0.000 0.000 0.233 83 L C -0.141 176.957 176.870 0.379 0.000 1.077 83 L CA -0.057 54.920 54.840 0.228 0.000 0.879 83 L CB 0.387 42.570 42.059 0.207 0.000 1.151 83 L HN 0.392 nan 8.230 nan 0.000 0.495 84 Y N -0.078 120.328 120.300 0.177 0.000 2.521 84 Y HA 0.488 5.038 4.550 0.000 0.000 0.326 84 Y C -2.074 173.958 175.900 0.219 0.000 1.176 84 Y CA -1.730 56.499 58.100 0.215 0.000 1.079 84 Y CB 1.695 40.276 38.460 0.202 0.000 1.341 84 Y HN -0.108 nan 8.280 nan 0.000 0.456 85 F N 4.313 123.810 119.950 -0.755 0.000 2.608 85 F HA 0.756 5.283 4.527 -0.000 0.000 0.309 85 F C -1.513 173.840 175.800 -0.745 0.000 1.103 85 F CA -0.241 57.415 58.000 -0.573 0.000 0.954 85 F CB 1.976 40.820 39.000 -0.260 0.000 1.267 85 F HN 0.494 nan 8.300 nan 0.000 0.444 86 S N 4.567 119.363 115.700 -1.507 0.000 2.535 86 S HA 0.494 4.964 4.470 -0.000 0.000 0.272 86 S C -1.959 172.079 174.600 -0.937 0.000 1.149 86 S CA -0.462 57.195 58.200 -0.904 0.000 0.888 86 S CB 1.726 64.652 63.200 -0.457 0.000 1.110 86 S HN 0.922 nan 8.310 nan 0.000 0.463 87 Q N 2.227 121.747 119.800 -0.466 0.000 2.421 87 Q HA 0.817 5.157 4.340 -0.000 0.000 0.280 87 Q C -1.958 174.010 176.000 -0.054 0.000 1.085 87 Q CA -0.760 54.903 55.803 -0.233 0.000 0.807 87 Q CB 2.260 30.975 28.738 -0.039 0.000 1.405 87 Q HN 0.568 nan 8.270 nan 0.000 0.419 88 V N 2.104 122.024 119.914 0.010 0.000 2.888 88 V HA 0.280 4.400 4.120 -0.000 0.000 0.309 88 V C -1.044 175.125 176.094 0.125 0.000 1.114 88 V CA -0.719 61.621 62.300 0.067 0.000 0.940 88 V CB 2.182 34.035 31.823 0.051 0.000 1.021 88 V HN 0.798 nan 8.190 nan 0.000 0.426 89 Q N 2.140 122.010 119.800 0.116 0.000 2.267 89 Q HA 0.499 4.839 4.340 -0.000 0.000 0.255 89 Q C -0.151 175.778 176.000 -0.119 0.000 0.923 89 Q CA 0.011 55.772 55.803 -0.070 0.000 0.925 89 Q CB 1.853 30.537 28.738 -0.090 0.000 1.195 89 Q HN 0.640 nan 8.270 nan 0.000 0.417 90 V N 5.415 125.204 119.914 -0.208 0.000 3.572 90 V HA 0.354 4.474 4.120 -0.000 0.000 0.260 90 V C -0.922 175.080 176.094 -0.153 0.000 1.324 90 V CA 0.224 62.476 62.300 -0.081 0.000 1.068 90 V CB 0.547 32.355 31.823 -0.025 0.000 0.837 90 V HN 0.729 nan 8.190 nan 0.000 0.450 91 F N 1.444 121.126 119.950 -0.447 0.000 2.604 91 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 91 F C -2.912 172.623 175.800 -0.440 0.000 1.136 91 F CA -2.457 55.218 58.000 -0.542 0.000 0.989 91 F CB 1.799 40.447 39.000 -0.587 0.000 1.258 91 F HN -0.097 nan 8.300 nan 0.000 0.451 92 P HA 0.124 nan 4.420 nan 0.000 0.269 92 P C -2.603 174.275 177.300 -0.703 0.000 1.217 92 P CA -0.616 61.717 63.100 -1.279 0.000 0.783 92 P CB -0.037 31.221 31.700 -0.738 0.000 0.898 93 P HA -0.018 nan 4.420 nan 0.000 0.268 93 P C -0.762 176.452 177.300 -0.144 0.000 1.205 93 P CA 0.446 63.424 63.100 -0.204 0.000 0.771 93 P CB 0.419 32.133 31.700 0.022 0.000 0.858 94 V N 3.226 123.094 119.914 -0.075 0.000 2.427 94 V HA 0.515 4.635 4.120 -0.000 0.000 0.286 94 V C 1.290 177.373 176.094 -0.018 0.000 1.034 94 V CA 0.733 63.001 62.300 -0.052 0.000 0.893 94 V CB 0.359 32.162 31.823 -0.034 0.000 0.982 94 V HN 1.100 nan 8.190 nan 0.000 0.452 95 G N 4.103 112.891 108.800 -0.020 0.000 2.581 95 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.289 95 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.289 95 G C 0.474 175.374 174.900 0.000 0.000 1.303 95 G CA -0.099 44.997 45.100 -0.007 0.000 0.931 95 G HN 1.893 nan 8.290 nan 0.000 0.555 96 A N -0.185 122.639 122.820 0.005 0.000 2.524 96 A HA 0.474 4.794 4.320 -0.000 0.000 0.271 96 A C 1.147 178.741 177.584 0.016 0.000 1.097 96 A CA 1.601 53.643 52.037 0.009 0.000 0.791 96 A CB -0.405 18.600 19.000 0.009 0.000 1.028 96 A HN 2.295 nan 8.150 nan 0.000 0.518 97 S N 3.003 118.715 115.700 0.020 0.000 2.430 97 S HA 0.561 5.031 4.470 -0.000 0.000 0.282 97 S C 0.339 174.953 174.600 0.024 0.000 1.186 97 S CA 0.366 58.587 58.200 0.034 0.000 1.060 97 S CB -0.321 62.908 63.200 0.047 0.000 0.966 97 S HN 1.921 nan 8.310 nan 0.000 0.501 98 G N 2.619 111.434 108.800 0.024 0.000 2.556 98 G HA2 0.588 4.548 3.960 -0.000 0.000 0.294 98 G HA3 0.588 4.548 3.960 -0.000 0.000 0.294 98 G C -0.502 174.405 174.900 0.012 0.000 1.516 98 G CA -0.270 44.837 45.100 0.012 0.000 0.824 98 G HN 1.046 nan 8.290 nan 0.000 0.535 99 A N 0.164 122.986 122.820 0.003 0.000 2.387 99 A HA 0.706 5.026 4.320 -0.000 0.000 0.251 99 A C 1.169 178.754 177.584 0.002 0.000 1.113 99 A CA 1.074 53.110 52.037 -0.001 0.000 0.794 99 A CB 0.386 19.381 19.000 -0.008 0.000 1.069 99 A HN 1.154 nan 8.150 nan 0.000 0.506 100 T N -0.620 113.932 114.554 -0.004 0.000 2.993 100 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 100 T C 0.105 174.806 174.700 0.001 0.000 0.939 100 T CA 0.740 62.840 62.100 0.001 0.000 0.886 100 T CB 0.221 69.088 68.868 -0.000 0.000 1.209 100 T HN 0.681 nan 8.240 nan 0.000 0.518 101 T N 1.641 116.193 114.554 -0.004 0.000 2.887 101 T HA 0.392 4.742 4.350 -0.000 0.000 0.288 101 T C 0.770 175.480 174.700 0.017 0.000 1.021 101 T CA -0.882 61.222 62.100 0.006 0.000 1.000 101 T CB 2.304 71.170 68.868 -0.003 0.000 1.034 101 T HN -0.155 nan 8.240 nan 0.000 0.467 102 R N 0.862 121.382 120.500 0.033 0.000 2.091 102 R HA -0.065 4.275 4.340 -0.000 0.000 0.238 102 R C 2.144 178.488 176.300 0.072 0.000 1.136 102 R CA 0.915 57.045 56.100 0.049 0.000 0.959 102 R CB -1.019 29.314 30.300 0.055 0.000 0.856 102 R HN 0.476 nan 8.270 nan 0.000 0.437 103 L N 1.854 123.124 121.223 0.078 0.000 2.042 103 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 103 L C 2.240 179.113 176.870 0.006 0.000 1.076 103 L CA 1.784 56.672 54.840 0.080 0.000 0.749 103 L CB -0.433 41.663 42.059 0.062 0.000 0.893 103 L HN 0.170 nan 8.230 nan 0.000 0.432 104 Q N -0.381 119.409 119.800 -0.017 0.000 2.020 104 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 104 Q C 2.021 178.003 176.000 -0.029 0.000 0.982 104 Q CA 1.962 57.737 55.803 -0.047 0.000 0.838 104 Q CB -0.333 28.373 28.738 -0.053 0.000 0.899 104 Q HN 0.801 nan 8.270 nan 0.000 0.423 105 E N 0.348 120.546 120.200 -0.004 0.000 2.153 105 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 105 E C 2.006 178.621 176.600 0.024 0.000 0.988 105 E CA 1.424 57.825 56.400 0.002 0.000 0.811 105 E CB -0.224 29.482 29.700 0.009 0.000 0.746 105 E HN 0.053 nan 8.360 nan 0.000 0.466 106 S N 0.234 115.975 115.700 0.068 0.000 2.387 106 S HA -0.018 4.452 4.470 -0.000 0.000 0.226 106 S C 1.901 176.613 174.600 0.185 0.000 1.026 106 S CA 0.642 58.939 58.200 0.161 0.000 0.972 106 S CB -0.170 63.193 63.200 0.272 0.000 0.814 106 S HN 0.314 nan 8.310 nan 0.000 0.477 107 L N 0.783 122.010 121.223 0.006 0.000 2.109 107 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 107 L C 2.250 179.046 176.870 -0.123 0.000 1.086 107 L CA 0.881 55.617 54.840 -0.174 0.000 0.760 107 L CB -0.372 41.494 42.059 -0.322 0.000 0.910 107 L HN 0.333 nan 8.230 nan 0.000 0.437 108 I N -0.159 120.355 120.570 -0.093 0.000 2.286 108 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 108 I C 2.645 178.719 176.117 -0.072 0.000 1.115 108 I CA 1.282 62.518 61.300 -0.106 0.000 1.392 108 I CB -0.259 37.684 38.000 -0.095 0.000 1.065 108 I HN 0.251 nan 8.210 nan 0.000 0.418 109 K N 1.607 121.994 120.400 -0.022 0.000 2.009 109 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 109 K C 2.215 178.822 176.600 0.011 0.000 1.049 109 K CA 1.940 58.228 56.287 0.000 0.000 0.929 109 K CB -0.083 32.435 32.500 0.031 0.000 0.714 109 K HN 0.061 nan 8.250 nan 0.000 0.440 110 K N -0.191 120.243 120.400 0.057 0.000 2.288 110 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 110 K C 1.704 178.304 176.600 -0.000 0.000 1.048 110 K CA 0.566 56.901 56.287 0.081 0.000 0.956 110 K CB 0.167 32.812 32.500 0.241 0.000 0.746 110 K HN 0.068 nan 8.250 nan 0.000 0.461 111 L N -0.323 120.846 121.223 -0.089 0.000 2.307 111 L HA 0.301 4.641 4.340 -0.000 0.000 0.211 111 L C 0.884 177.670 176.870 -0.139 0.000 1.099 111 L CA 1.350 56.080 54.840 -0.185 0.000 0.816 111 L CB 0.377 42.229 42.059 -0.345 0.000 0.952 111 L HN 0.442 nan 8.230 nan 0.000 0.455 112 G N -2.460 106.275 108.800 -0.110 0.000 2.343 112 G HA2 0.160 4.120 3.960 -0.000 0.000 0.465 112 G HA3 0.160 4.120 3.960 -0.000 0.000 0.465 112 G C 0.206 175.034 174.900 -0.119 0.000 1.282 112 G CA -0.163 44.881 45.100 -0.094 0.000 0.996 112 G HN 0.150 nan 8.290 nan 0.000 0.521 113 A N -0.682 122.079 122.820 -0.099 0.000 2.123 113 A HA 0.222 4.542 4.320 -0.000 0.000 0.214 113 A C 1.424 178.895 177.584 -0.188 0.000 1.152 113 A CA 1.526 53.491 52.037 -0.121 0.000 0.728 113 A CB -0.198 18.769 19.000 -0.056 0.000 0.814 113 A HN 0.542 nan 8.150 nan 0.000 0.464 114 N N 1.178 119.799 118.700 -0.133 0.000 2.378 114 N HA 0.043 4.783 4.740 -0.000 0.000 0.243 114 N C -0.315 175.122 175.510 -0.121 0.000 1.137 114 N CA 0.660 53.670 53.050 -0.066 0.000 0.862 114 N CB 0.439 38.956 38.487 0.050 0.000 1.116 114 N HN 0.544 nan 8.380 nan 0.000 0.499 115 T N -1.840 112.491 114.554 -0.371 0.000 2.792 115 T HA 0.555 4.905 4.350 -0.000 0.000 0.280 115 T C -0.738 173.706 174.700 -0.427 0.000 0.990 115 T CA -0.537 61.431 62.100 -0.218 0.000 0.960 115 T CB 1.016 69.781 68.868 -0.172 0.000 0.939 115 T HN -0.055 nan 8.240 nan 0.000 0.439 116 Y N 3.000 123.352 120.300 0.087 0.000 2.485 116 Y HA 0.619 5.169 4.550 -0.000 0.000 0.345 116 Y C -2.321 173.654 175.900 0.124 0.000 0.998 116 Y CA -2.697 55.461 58.100 0.097 0.000 1.059 116 Y CB 2.080 40.615 38.460 0.126 0.000 1.234 116 Y HN 0.512 nan 8.280 nan 0.000 0.461 117 P HA 0.392 nan 4.420 nan 0.000 0.278 117 P C -1.203 176.241 177.300 0.241 0.000 1.258 117 P CA -0.218 62.967 63.100 0.141 0.000 0.811 117 P CB 1.455 33.179 31.700 0.040 0.000 1.063 118 F N -0.457 119.521 119.950 0.046 0.000 2.665 118 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 118 F C -2.291 173.513 175.800 0.008 0.000 1.112 118 F CA -1.342 56.670 58.000 0.020 0.000 0.972 118 F CB 1.294 40.298 39.000 0.008 0.000 1.295 118 F HN 0.199 nan 8.300 nan 0.000 0.440 119 L N 4.605 125.881 121.223 0.088 0.000 2.491 119 L HA 0.604 4.944 4.340 -0.000 0.000 0.267 119 L C -2.111 174.789 176.870 0.050 0.000 0.971 119 L CA -0.580 54.243 54.840 -0.028 0.000 0.857 119 L CB 1.409 43.437 42.059 -0.051 0.000 1.226 119 L HN 0.721 nan 8.230 nan 0.000 0.408 120 L N 4.019 125.261 121.223 0.032 0.000 2.282 120 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 120 L C 0.522 177.276 176.870 -0.193 0.000 1.033 120 L CA -0.100 54.705 54.840 -0.059 0.000 0.807 120 L CB 1.596 43.600 42.059 -0.091 0.000 1.209 120 L HN 0.738 nan 8.230 nan 0.000 0.423 121 T N -0.294 114.169 114.554 -0.151 0.000 2.952 121 T HA 0.694 5.044 4.350 -0.000 0.000 0.286 121 T C -0.250 174.279 174.700 -0.285 0.000 1.024 121 T CA -0.545 61.456 62.100 -0.165 0.000 1.029 121 T CB 1.240 70.089 68.868 -0.031 0.000 1.094 121 T HN 0.073 nan 8.240 nan 0.000 0.515 122 F N 2.245 122.110 119.950 -0.141 0.000 2.422 122 F HA 0.536 5.063 4.527 0.000 0.000 0.333 122 F C -1.444 174.130 175.800 -0.377 0.000 1.095 122 F CA -1.975 55.840 58.000 -0.309 0.000 1.038 122 F CB 1.242 40.105 39.000 -0.228 0.000 1.156 122 F HN 0.501 nan 8.300 nan 0.000 0.483 123 P HA 0.147 nan 4.420 nan 0.000 0.289 123 P C -0.455 176.607 177.300 -0.395 0.000 1.299 123 P CA -0.241 62.580 63.100 -0.465 0.000 0.766 123 P CB 0.950 32.104 31.700 -0.910 0.000 1.226 124 D N -2.144 118.069 120.400 -0.312 0.000 2.363 124 D HA -0.043 4.597 4.640 -0.000 0.000 0.214 124 D C 0.636 176.892 176.300 -0.074 0.000 1.093 124 D CA 0.086 53.996 54.000 -0.150 0.000 0.837 124 D CB -0.982 39.798 40.800 -0.034 0.000 0.948 124 D HN 0.456 nan 8.370 nan 0.000 0.507 125 Y N -1.131 119.183 120.300 0.023 0.000 2.720 125 Y HA 0.540 5.090 4.550 -0.000 0.000 0.277 125 Y C -0.498 175.441 175.900 0.066 0.000 1.144 125 Y CA -1.394 56.732 58.100 0.043 0.000 1.221 125 Y CB -0.240 38.251 38.460 0.052 0.000 1.163 125 Y HN -0.239 nan 8.280 nan 0.000 0.537 126 L N 3.906 125.124 121.223 -0.009 0.000 2.331 126 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 126 L C -2.059 174.898 176.870 0.145 0.000 1.022 126 L CA -2.779 52.127 54.840 0.110 0.000 0.812 126 L CB 1.378 43.486 42.059 0.081 0.000 1.257 126 L HN 0.019 nan 8.230 nan 0.000 0.435 127 P HA 0.235 nan 4.420 nan 0.000 0.279 127 P C -0.753 176.697 177.300 0.250 0.000 1.282 127 P CA -0.437 62.782 63.100 0.198 0.000 0.788 127 P CB 0.950 32.773 31.700 0.204 0.000 1.139 128 C N -1.432 117.980 119.300 0.186 0.000 2.451 128 C HA 0.375 4.835 4.460 -0.000 0.000 0.391 128 C C 0.869 176.015 174.990 0.259 0.000 1.286 128 C CA -0.203 58.885 59.018 0.116 0.000 1.935 128 C CB 0.912 28.675 27.740 0.038 0.000 2.188 128 C HN 0.513 nan 8.230 nan 0.000 0.523 129 S N 0.628 116.437 115.700 0.182 0.000 2.515 129 S HA 0.352 4.822 4.470 -0.000 0.000 0.285 129 S C -0.469 174.247 174.600 0.193 0.000 1.265 129 S CA 0.081 58.445 58.200 0.274 0.000 1.079 129 S CB 0.141 63.448 63.200 0.179 0.000 0.877 129 S HN 0.671 nan 8.310 nan 0.000 0.493 130 V N 6.871 126.903 119.914 0.198 0.000 2.852 130 V HA 0.774 4.894 4.120 -0.000 0.000 0.300 130 V C -1.178 174.983 176.094 0.112 0.000 1.205 130 V CA -0.797 61.584 62.300 0.136 0.000 0.940 130 V CB 1.686 33.589 31.823 0.133 0.000 1.047 130 V HN 0.967 nan 8.190 nan 0.000 0.429 131 M N 6.969 126.604 119.600 0.058 0.000 2.732 131 M HA 0.811 5.291 4.480 -0.000 0.000 0.272 131 M C -1.964 174.312 176.300 -0.039 0.000 1.203 131 M CA -0.888 54.420 55.300 0.015 0.000 0.841 131 M CB 2.231 34.836 32.600 0.008 0.000 1.685 131 M HN 0.899 nan 8.290 nan 0.000 0.492 132 L N -0.667 120.505 121.223 -0.084 0.000 2.568 132 L HA 0.731 5.071 4.340 -0.000 0.000 0.257 132 L C -2.024 174.771 176.870 -0.126 0.000 1.024 132 L CA -0.635 54.125 54.840 -0.133 0.000 0.854 132 L CB 2.817 44.720 42.059 -0.260 0.000 1.460 132 L HN 0.984 nan 8.230 nan 0.000 0.409 133 Q N 1.688 121.425 119.800 -0.105 0.000 2.321 133 Q HA 0.550 4.890 4.340 -0.000 0.000 0.270 133 Q C -2.562 173.420 176.000 -0.030 0.000 1.032 133 Q CA -1.795 53.965 55.803 -0.072 0.000 0.784 133 Q CB 2.765 31.469 28.738 -0.057 0.000 1.264 133 Q HN 0.467 nan 8.270 nan 0.000 0.448 134 P HA -0.085 nan 4.420 nan 0.000 0.267 134 P C -1.361 175.982 177.300 0.073 0.000 1.195 134 P CA 0.323 63.484 63.100 0.101 0.000 0.773 134 P CB 0.589 32.346 31.700 0.095 0.000 0.837 135 A N 4.176 127.059 122.820 0.105 0.000 2.299 135 A HA 0.558 4.878 4.320 -0.000 0.000 0.332 135 A C -1.592 176.027 177.584 0.057 0.000 1.131 135 A CA -1.656 50.423 52.037 0.069 0.000 0.844 135 A CB -0.301 18.746 19.000 0.079 0.000 1.251 135 A HN 0.343 nan 8.150 nan 0.000 0.486 136 P HA -0.275 nan 4.420 nan 0.000 0.218 136 P C 1.257 178.576 177.300 0.031 0.000 1.165 136 P CA 2.175 65.293 63.100 0.031 0.000 0.922 136 P CB 0.131 31.846 31.700 0.024 0.000 0.794 137 Q N -0.852 118.967 119.800 0.031 0.000 2.403 137 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 137 Q C -0.385 175.627 176.000 0.019 0.000 0.932 137 Q CA 0.865 56.681 55.803 0.023 0.000 0.945 137 Q CB -0.796 27.953 28.738 0.018 0.000 1.045 137 Q HN 0.216 nan 8.270 nan 0.000 0.511 138 D N 0.980 121.403 120.400 0.039 0.000 2.304 138 D HA 0.092 4.732 4.640 -0.000 0.000 0.250 138 D C 1.290 177.604 176.300 0.024 0.000 1.107 138 D CA -0.127 53.890 54.000 0.029 0.000 0.885 138 D CB 2.119 43.005 40.800 0.144 0.000 1.192 138 D HN -0.123 nan 8.370 nan 0.000 0.436 139 V N 1.966 121.867 119.914 -0.022 0.000 2.302 139 V HA 0.028 4.148 4.120 -0.000 0.000 0.243 139 V C 1.649 177.786 176.094 0.072 0.000 1.036 139 V CA 1.302 63.608 62.300 0.011 0.000 1.020 139 V CB -1.054 30.759 31.823 -0.017 0.000 0.657 139 V HN 0.612 nan 8.190 nan 0.000 0.453 140 G N 0.812 109.674 108.800 0.104 0.000 2.750 140 G HA2 0.243 4.203 3.960 -0.000 0.000 0.250 140 G HA3 0.243 4.203 3.960 -0.000 0.000 0.250 140 G C -0.076 174.941 174.900 0.195 0.000 1.230 140 G CA -0.224 45.025 45.100 0.248 0.000 0.883 140 G HN 0.242 nan 8.290 nan 0.000 0.573 141 K N -0.371 120.107 120.400 0.129 0.000 2.210 141 K HA 0.431 4.751 4.320 -0.000 0.000 0.236 141 K C 0.514 176.918 176.600 -0.327 0.000 1.016 141 K CA -0.684 55.527 56.287 -0.128 0.000 0.913 141 K CB 1.248 33.635 32.500 -0.187 0.000 1.141 141 K HN 0.399 nan 8.250 nan 0.000 0.462 142 S N 0.229 115.761 115.700 -0.280 0.000 2.566 142 S HA 0.174 4.644 4.470 -0.000 0.000 0.280 142 S C 0.382 174.730 174.600 -0.419 0.000 1.343 142 S CA -0.361 57.684 58.200 -0.259 0.000 1.036 142 S CB -0.180 62.913 63.200 -0.179 0.000 0.866 142 S HN 0.756 nan 8.310 nan 0.000 0.526 143 C N -0.372 118.759 119.300 -0.280 0.000 3.231 143 C HA 0.961 5.421 4.460 -0.000 0.000 0.343 143 C C -0.187 174.703 174.990 -0.167 0.000 1.349 143 C CA -0.062 58.782 59.018 -0.291 0.000 1.209 143 C CB 0.714 28.349 27.740 -0.174 0.000 1.475 143 C HN 1.245 nan 8.230 nan 0.000 0.460 144 G N -0.824 107.836 108.800 -0.233 0.000 2.322 144 G HA2 0.633 4.593 3.960 -0.000 0.000 0.295 144 G HA3 0.633 4.593 3.960 -0.000 0.000 0.295 144 G C -1.924 172.953 174.900 -0.038 0.000 1.369 144 G CA 0.227 45.299 45.100 -0.046 0.000 0.821 144 G HN 2.267 nan 8.290 nan 0.000 0.536 145 V N 1.033 121.005 119.914 0.096 0.000 2.376 145 V HA 0.603 4.723 4.120 -0.000 0.000 0.287 145 V C -1.135 174.954 176.094 -0.009 0.000 1.015 145 V CA -0.758 61.586 62.300 0.075 0.000 0.834 145 V CB 1.131 33.057 31.823 0.172 0.000 1.001 145 V HN 0.683 nan 8.190 nan 0.000 0.428 146 D N 5.667 126.008 120.400 -0.099 0.000 2.277 146 D HA 0.447 5.087 4.640 -0.000 0.000 0.250 146 D C -1.028 175.131 176.300 -0.235 0.000 1.032 146 D CA 0.162 54.140 54.000 -0.036 0.000 0.947 146 D CB 1.929 42.730 40.800 0.003 0.000 1.159 146 D HN 0.459 nan 8.370 nan 0.000 0.460 147 F N 0.782 120.813 119.950 0.135 0.000 2.496 147 F HA 0.186 4.713 4.527 -0.000 0.000 0.341 147 F C 0.548 176.423 175.800 0.124 0.000 1.134 147 F CA -0.737 57.365 58.000 0.170 0.000 0.968 147 F CB 1.632 40.770 39.000 0.230 0.000 1.205 147 F HN 0.095 nan 8.300 nan 0.000 0.436 148 E N 4.915 125.230 120.200 0.191 0.000 2.158 148 E HA 0.525 4.875 4.350 -0.000 0.000 0.271 148 E C -1.305 175.332 176.600 0.062 0.000 0.911 148 E CA -0.457 56.005 56.400 0.104 0.000 0.767 148 E CB 1.470 31.202 29.700 0.053 0.000 1.120 148 E HN 0.629 nan 8.360 nan 0.000 0.405 149 I N 5.127 125.702 120.570 0.009 0.000 2.362 149 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 149 I C -0.678 175.400 176.117 -0.066 0.000 0.994 149 I CA -0.629 60.645 61.300 -0.044 0.000 1.158 149 I CB 1.307 39.270 38.000 -0.062 0.000 1.315 149 I HN 0.464 nan 8.210 nan 0.000 0.451 150 K N 5.828 126.207 120.400 -0.034 0.000 2.513 150 K HA 0.847 5.167 4.320 -0.000 0.000 0.251 150 K C -1.581 175.069 176.600 0.083 0.000 0.939 150 K CA -0.753 55.548 56.287 0.023 0.000 0.793 150 K CB 2.349 34.895 32.500 0.076 0.000 1.241 150 K HN 0.471 nan 8.250 nan 0.000 0.431 151 A N 3.594 126.416 122.820 0.002 0.000 2.305 151 A HA 0.820 5.140 4.320 -0.000 0.000 0.322 151 A C -0.992 176.645 177.584 0.089 0.000 1.187 151 A CA -0.740 51.233 52.037 -0.106 0.000 0.825 151 A CB 0.039 18.911 19.000 -0.214 0.000 1.164 151 A HN 0.728 nan 8.150 nan 0.000 0.498 152 F N -0.468 119.468 119.950 -0.023 0.000 2.631 152 F HA 0.809 5.336 4.527 -0.000 0.000 0.308 152 F C -0.175 175.655 175.800 0.050 0.000 1.097 152 F CA -1.141 56.865 58.000 0.010 0.000 0.952 152 F CB 1.259 40.272 39.000 0.021 0.000 1.307 152 F HN 0.704 nan 8.300 nan 0.000 0.450 153 A N 1.052 123.981 122.820 0.182 0.000 2.312 153 A HA 0.781 5.101 4.320 -0.000 0.000 0.326 153 A C -0.650 177.085 177.584 0.250 0.000 1.172 153 A CA -0.590 51.521 52.037 0.123 0.000 0.821 153 A CB 1.053 20.099 19.000 0.077 0.000 1.166 153 A HN 0.837 nan 8.150 nan 0.000 0.493 154 T N 1.644 116.337 114.554 0.232 0.000 2.824 154 T HA 0.683 5.033 4.350 -0.000 0.000 0.282 154 T C -0.758 174.052 174.700 0.182 0.000 0.993 154 T CA -0.225 62.000 62.100 0.209 0.000 0.967 154 T CB 0.792 69.860 68.868 0.334 0.000 0.960 154 T HN 1.020 nan 8.240 nan 0.000 0.441 155 H N -0.637 118.490 119.070 0.094 0.000 2.960 155 H HA 0.816 5.372 4.556 -0.000 0.000 0.323 155 H C -1.177 174.181 175.328 0.050 0.000 1.326 155 H CA -1.094 54.992 56.048 0.063 0.000 1.124 155 H CB 1.029 30.817 29.762 0.043 0.000 1.853 155 H HN 0.505 nan 8.280 nan 0.000 0.536 156 S N -0.523 115.298 115.700 0.202 0.000 2.575 156 S HA 0.352 4.822 4.470 -0.000 0.000 0.278 156 S C -0.507 174.187 174.600 0.157 0.000 1.139 156 S CA -0.353 57.916 58.200 0.114 0.000 0.954 156 S CB 1.699 64.932 63.200 0.056 0.000 1.054 156 S HN 0.734 nan 8.310 nan 0.000 0.483 157 T N 1.129 115.763 114.554 0.132 0.000 3.037 157 T HA 0.239 4.589 4.350 -0.000 0.000 0.251 157 T C -0.235 174.498 174.700 0.055 0.000 1.079 157 T CA 0.761 62.920 62.100 0.098 0.000 1.067 157 T CB -0.237 68.690 68.868 0.098 0.000 0.948 157 T HN 0.826 nan 8.240 nan 0.000 0.496 158 D N -0.106 120.319 120.400 0.043 0.000 2.879 158 D HA 0.279 4.919 4.640 -0.000 0.000 0.236 158 D C 0.991 177.303 176.300 0.020 0.000 1.171 158 D CA -0.704 53.311 54.000 0.026 0.000 0.868 158 D CB 1.568 42.378 40.800 0.018 0.000 1.598 158 D HN -0.200 nan 8.370 nan 0.000 0.497 159 V N 2.638 122.561 119.914 0.016 0.000 2.660 159 V HA -0.167 3.953 4.120 -0.000 0.000 0.257 159 V C 1.861 177.959 176.094 0.007 0.000 1.088 159 V CA 1.555 63.863 62.300 0.013 0.000 1.106 159 V CB -0.524 31.305 31.823 0.010 0.000 0.686 159 V HN 0.647 nan 8.190 nan 0.000 0.481 160 E N 0.578 120.780 120.200 0.004 0.000 2.358 160 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 160 E C 0.846 177.442 176.600 -0.006 0.000 1.010 160 E CA 0.467 56.866 56.400 -0.002 0.000 0.856 160 E CB 0.151 29.849 29.700 -0.003 0.000 0.795 160 E HN 0.956 nan 8.360 nan 0.000 0.504 161 E N -0.470 119.726 120.200 -0.006 0.000 2.396 161 E HA 0.251 4.601 4.350 -0.000 0.000 0.280 161 E C -1.469 175.119 176.600 -0.021 0.000 1.065 161 E CA -0.748 55.643 56.400 -0.016 0.000 0.831 161 E CB 1.037 30.723 29.700 -0.024 0.000 1.272 161 E HN -0.308 nan 8.360 nan 0.000 0.443 162 D N 1.216 121.596 120.400 -0.034 0.000 2.192 162 D HA 0.348 4.988 4.640 -0.000 0.000 0.246 162 D C -0.851 175.389 176.300 -0.100 0.000 1.042 162 D CA -0.439 53.529 54.000 -0.052 0.000 0.847 162 D CB 1.826 42.615 40.800 -0.019 0.000 1.186 162 D HN 0.240 nan 8.370 nan 0.000 0.461 163 K N 1.620 121.899 120.400 -0.202 0.000 2.259 163 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 163 K C -0.328 176.116 176.600 -0.260 0.000 0.936 163 K CA -0.720 55.424 56.287 -0.239 0.000 0.810 163 K CB 2.272 34.599 32.500 -0.287 0.000 1.143 163 K HN 0.296 nan 8.250 nan 0.000 0.427 164 I N 3.796 124.287 120.570 -0.131 0.000 2.595 164 I HA 0.215 4.385 4.170 -0.000 0.000 0.275 164 I C -2.290 173.812 176.117 -0.026 0.000 1.092 164 I CA -2.092 59.183 61.300 -0.040 0.000 1.145 164 I CB 1.034 39.010 38.000 -0.040 0.000 1.276 164 I HN 0.274 nan 8.210 nan 0.000 0.497 165 P HA 0.070 nan 4.420 nan 0.000 0.268 165 P C 0.714 178.035 177.300 0.035 0.000 1.205 165 P CA -0.273 62.853 63.100 0.044 0.000 0.771 165 P CB 1.115 32.887 31.700 0.120 0.000 0.858 166 K N 3.201 123.607 120.400 0.011 0.000 2.148 166 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 166 K C 1.475 178.086 176.600 0.018 0.000 1.050 166 K CA 1.165 57.454 56.287 0.003 0.000 0.942 166 K CB 0.032 32.525 32.500 -0.012 0.000 0.724 166 K HN 0.431 nan 8.250 nan 0.000 0.446 167 K N -0.494 119.920 120.400 0.024 0.000 2.442 167 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 167 K C 0.768 177.385 176.600 0.028 0.000 1.044 167 K CA 1.230 57.529 56.287 0.021 0.000 0.948 167 K CB 0.164 32.676 32.500 0.019 0.000 0.762 167 K HN -0.125 nan 8.250 nan 0.000 0.472 168 S N 1.016 116.746 115.700 0.050 0.000 2.573 168 S HA 0.081 4.551 4.470 -0.000 0.000 0.244 168 S C -0.477 174.170 174.600 0.079 0.000 0.984 168 S CA -0.411 57.824 58.200 0.059 0.000 1.001 168 S CB 0.392 63.650 63.200 0.096 0.000 0.788 168 S HN 0.483 nan 8.310 nan 0.000 0.456 169 S N 0.587 116.327 115.700 0.066 0.000 2.546 169 S HA 0.759 5.229 4.470 -0.000 0.000 0.274 169 S C -0.698 173.923 174.600 0.034 0.000 1.121 169 S CA -0.921 57.333 58.200 0.090 0.000 0.887 169 S CB 1.677 64.959 63.200 0.136 0.000 1.094 169 S HN 0.200 nan 8.310 nan 0.000 0.474 170 V N -0.254 119.671 119.914 0.018 0.000 2.628 170 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 170 V C -0.318 175.758 176.094 -0.030 0.000 1.045 170 V CA -0.975 61.312 62.300 -0.023 0.000 0.905 170 V CB 1.532 33.321 31.823 -0.058 0.000 0.997 170 V HN 1.137 nan 8.190 nan 0.000 0.436 171 R N 3.625 124.097 120.500 -0.047 0.000 2.451 171 R HA 0.743 5.083 4.340 -0.000 0.000 0.307 171 R C -1.701 174.534 176.300 -0.109 0.000 0.965 171 R CA -0.650 55.416 56.100 -0.056 0.000 0.865 171 R CB 1.545 31.830 30.300 -0.026 0.000 1.174 171 R HN 0.930 nan 8.270 nan 0.000 0.455 172 L N 4.508 125.619 121.223 -0.187 0.000 2.334 172 L HA 0.511 4.851 4.340 -0.000 0.000 0.273 172 L C -0.916 175.863 176.870 -0.152 0.000 1.013 172 L CA -1.339 53.276 54.840 -0.375 0.000 0.816 172 L CB 1.855 43.440 42.059 -0.790 0.000 1.278 172 L HN 0.433 nan 8.230 nan 0.000 0.431 173 L N 4.253 125.477 121.223 0.001 0.000 2.337 173 L HA 0.469 4.809 4.340 -0.000 0.000 0.269 173 L C 0.044 177.110 176.870 0.327 0.000 1.018 173 L CA -0.120 54.826 54.840 0.176 0.000 0.876 173 L CB 1.007 43.183 42.059 0.194 0.000 1.236 173 L HN 0.374 nan 8.230 nan 0.000 0.436 174 I N -0.042 120.718 120.570 0.315 0.000 2.834 174 I HA 0.581 4.751 4.170 -0.000 0.000 0.305 174 I C 0.093 176.393 176.117 0.305 0.000 1.008 174 I CA -0.895 60.643 61.300 0.397 0.000 1.273 174 I CB 1.071 39.312 38.000 0.402 0.000 1.432 174 I HN 0.462 nan 8.210 nan 0.000 0.557 175 R N 2.220 122.850 120.500 0.217 0.000 2.532 175 R HA 0.395 4.735 4.340 -0.000 0.000 0.295 175 R C -0.829 175.430 176.300 -0.068 0.000 0.968 175 R CA -0.853 55.297 56.100 0.084 0.000 0.916 175 R CB 1.529 31.859 30.300 0.051 0.000 1.124 175 R HN 0.621 nan 8.270 nan 0.000 0.463 176 K N 4.267 124.474 120.400 -0.322 0.000 2.404 176 K HA 0.201 4.521 4.320 -0.000 0.000 0.257 176 K C -0.651 175.812 176.600 -0.229 0.000 1.026 176 K CA -0.568 55.415 56.287 -0.506 0.000 0.951 176 K CB 0.870 32.659 32.500 -1.184 0.000 1.203 176 K HN 0.444 nan 8.250 nan 0.000 0.446 177 V N 1.180 121.034 119.914 -0.099 0.000 2.644 177 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 177 V C -0.393 175.748 176.094 0.078 0.000 1.053 177 V CA -0.839 61.459 62.300 -0.004 0.000 0.987 177 V CB 1.443 33.223 31.823 -0.072 0.000 1.006 177 V HN 0.727 nan 8.190 nan 0.000 0.472 178 Q N 3.000 122.866 119.800 0.110 0.000 2.296 178 Q HA 0.367 4.707 4.340 -0.000 0.000 0.257 178 Q C -0.694 175.344 176.000 0.064 0.000 0.942 178 Q CA 0.144 56.014 55.803 0.112 0.000 0.939 178 Q CB 0.443 29.238 28.738 0.096 0.000 1.198 178 Q HN 0.940 nan 8.270 nan 0.000 0.429 179 H N 1.878 121.018 119.070 0.117 0.000 2.573 179 H HA 0.588 5.144 4.556 -0.000 0.000 0.351 179 H C -0.635 174.742 175.328 0.081 0.000 1.163 179 H CA -0.595 55.504 56.048 0.085 0.000 1.205 179 H CB 1.867 31.643 29.762 0.023 0.000 1.605 179 H HN 0.857 nan 8.280 nan 0.000 0.525 180 A N 3.998 126.888 122.820 0.116 0.000 2.483 180 A HA 0.194 4.514 4.320 -0.000 0.000 0.238 180 A C -1.991 175.691 177.584 0.162 0.000 1.070 180 A CA -0.774 51.350 52.037 0.145 0.000 0.770 180 A CB -0.238 18.888 19.000 0.210 0.000 1.008 180 A HN 0.446 nan 8.150 nan 0.000 0.497 181 P HA 0.251 nan 4.420 nan 0.000 0.297 181 P C 0.500 177.875 177.300 0.124 0.000 1.307 181 P CA -0.554 62.642 63.100 0.159 0.000 0.773 181 P CB 0.710 32.482 31.700 0.120 0.000 1.265 182 R N -0.427 120.140 120.500 0.112 0.000 2.070 182 R HA 0.013 4.353 4.340 -0.000 0.000 0.233 182 R C 0.643 176.981 176.300 0.065 0.000 1.137 182 R CA 1.506 57.653 56.100 0.080 0.000 0.945 182 R CB -0.840 29.502 30.300 0.071 0.000 0.845 182 R HN 0.583 nan 8.270 nan 0.000 0.430 183 D N -0.248 120.188 120.400 0.060 0.000 2.387 183 D HA 0.267 4.907 4.640 -0.000 0.000 0.255 183 D C -0.085 176.244 176.300 0.048 0.000 1.081 183 D CA -0.285 53.743 54.000 0.046 0.000 0.994 183 D CB 1.645 42.468 40.800 0.039 0.000 1.127 183 D HN -0.081 nan 8.370 nan 0.000 0.513 184 M N -0.224 119.396 119.600 0.033 0.000 2.631 184 M HA 0.495 4.975 4.480 -0.000 0.000 0.288 184 M C -0.263 176.051 176.300 0.024 0.000 1.260 184 M CA -0.568 54.748 55.300 0.027 0.000 0.842 184 M CB 2.287 34.887 32.600 0.001 0.000 1.743 184 M HN 0.413 nan 8.290 nan 0.000 0.461 185 G N 1.743 110.561 108.800 0.030 0.000 2.563 185 G HA2 0.580 4.540 3.960 -0.000 0.000 0.283 185 G HA3 0.580 4.540 3.960 -0.000 0.000 0.283 185 G C -2.878 172.037 174.900 0.025 0.000 1.309 185 G CA -1.033 44.086 45.100 0.033 0.000 1.022 185 G HN 0.454 nan 8.290 nan 0.000 0.501 186 P HA 0.110 nan 4.420 nan 0.000 0.270 186 P C -0.235 177.082 177.300 0.028 0.000 1.223 186 P CA -0.341 62.773 63.100 0.023 0.000 0.785 186 P CB 0.449 32.164 31.700 0.025 0.000 0.923 187 Q N 3.285 123.097 119.800 0.020 0.000 2.239 187 Q HA 0.042 4.382 4.340 -0.000 0.000 0.286 187 Q C -1.861 174.165 176.000 0.043 0.000 1.102 187 Q CA -1.324 54.494 55.803 0.025 0.000 0.936 187 Q CB -0.114 28.633 28.738 0.014 0.000 1.127 187 Q HN 0.279 nan 8.270 nan 0.000 0.380 188 P HA 0.062 nan 4.420 nan 0.000 0.271 188 P C -1.340 175.997 177.300 0.062 0.000 1.220 188 P CA 0.241 63.391 63.100 0.083 0.000 0.768 188 P CB 0.516 32.298 31.700 0.137 0.000 0.848 189 R N 1.513 122.045 120.500 0.052 0.000 2.634 189 R HA 0.845 5.185 4.340 -0.000 0.000 0.263 189 R C -1.949 174.371 176.300 0.034 0.000 1.060 189 R CA -1.134 54.990 56.100 0.039 0.000 0.898 189 R CB 1.095 31.411 30.300 0.026 0.000 1.253 189 R HN 0.409 nan 8.270 nan 0.000 0.461 190 A N 1.267 124.105 122.820 0.030 0.000 2.515 190 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 190 A C -1.412 176.174 177.584 0.004 0.000 1.094 190 A CA -0.746 51.303 52.037 0.020 0.000 0.718 190 A CB 2.363 21.385 19.000 0.036 0.000 1.307 190 A HN 0.792 nan 8.150 nan 0.000 0.408 191 E N -0.367 119.818 120.200 -0.024 0.000 2.275 191 E HA 0.657 5.007 4.350 -0.000 0.000 0.270 191 E C -1.002 175.521 176.600 -0.130 0.000 0.882 191 E CA -0.541 55.825 56.400 -0.056 0.000 0.758 191 E CB 2.150 31.817 29.700 -0.055 0.000 1.195 191 E HN 1.136 nan 8.360 nan 0.000 0.419 192 A N 2.048 124.740 122.820 -0.213 0.000 2.520 192 A HA 0.748 5.068 4.320 -0.000 0.000 0.298 192 A C -1.254 175.885 177.584 -0.742 0.000 1.051 192 A CA -0.671 51.069 52.037 -0.495 0.000 0.690 192 A CB 1.746 20.418 19.000 -0.547 0.000 1.281 192 A HN 0.521 nan 8.150 nan 0.000 0.402 193 S N 0.855 116.021 115.700 -0.890 0.000 2.540 193 S HA 0.854 5.324 4.470 -0.000 0.000 0.275 193 S C -1.221 172.944 174.600 -0.725 0.000 1.123 193 S CA -0.652 57.158 58.200 -0.650 0.000 0.907 193 S CB 1.143 64.174 63.200 -0.282 0.000 1.081 193 S HN 0.760 nan 8.310 nan 0.000 0.476 194 W N 1.002 122.201 121.300 -0.169 0.000 2.761 194 W HA 0.513 5.173 4.660 -0.000 0.000 0.340 194 W C -0.406 175.835 176.519 -0.464 0.000 1.072 194 W CA -0.575 56.616 57.345 -0.256 0.000 1.215 194 W CB 2.195 31.505 29.460 -0.249 0.000 1.420 194 W HN 0.742 nan 8.180 nan 0.000 0.519 195 Q N 2.485 122.208 119.800 -0.128 0.000 2.394 195 Q HA 0.260 4.600 4.340 -0.000 0.000 0.261 195 Q C -0.920 175.062 176.000 -0.031 0.000 1.023 195 Q CA -0.571 55.127 55.803 -0.174 0.000 0.720 195 Q CB 0.882 29.589 28.738 -0.053 0.000 1.241 195 Q HN 0.194 nan 8.270 nan 0.000 0.483 196 F N 1.804 121.845 119.950 0.152 0.000 2.539 196 F HA 0.105 4.632 4.527 -0.000 0.000 0.340 196 F C 0.624 176.527 175.800 0.172 0.000 1.185 196 F CA -0.662 57.428 58.000 0.151 0.000 1.333 196 F CB 0.073 39.135 39.000 0.102 0.000 1.152 196 F HN 0.452 nan 8.300 nan 0.000 0.602 197 F N 3.484 123.589 119.950 0.258 0.000 2.608 197 F HA 0.115 4.642 4.527 0.000 0.000 0.380 197 F C 0.692 176.564 175.800 0.120 0.000 1.083 197 F CA -0.677 57.406 58.000 0.139 0.000 1.266 197 F CB -0.135 38.922 39.000 0.095 0.000 1.076 197 F HN 0.504 nan 8.300 nan 0.000 0.574 198 M N 3.852 123.166 119.600 -0.477 0.000 2.417 198 M HA -0.239 4.241 4.480 -0.000 0.000 0.205 198 M C -0.330 175.882 176.300 -0.147 0.000 0.452 198 M CA 0.903 55.921 55.300 -0.470 0.000 0.512 198 M CB -1.958 30.239 32.600 -0.671 0.000 1.774 198 M HN 0.617 nan 8.290 nan 0.000 0.874 199 S N -0.889 114.789 115.700 -0.035 0.000 2.546 199 S HA 0.501 4.971 4.470 -0.000 0.000 0.272 199 S C 0.140 174.743 174.600 0.006 0.000 1.140 199 S CA -0.755 57.454 58.200 0.016 0.000 0.920 199 S CB 1.485 64.746 63.200 0.102 0.000 1.083 199 S HN 0.362 nan 8.310 nan 0.000 0.476 200 D N 1.607 122.006 120.400 -0.002 0.000 2.366 200 D HA 0.131 4.771 4.640 -0.000 0.000 0.205 200 D C -0.116 176.176 176.300 -0.013 0.000 1.022 200 D CA 0.353 54.349 54.000 -0.007 0.000 0.868 200 D CB 0.367 41.162 40.800 -0.009 0.000 0.953 200 D HN 0.260 nan 8.370 nan 0.000 0.514 201 K N 2.159 122.553 120.400 -0.010 0.000 2.143 201 K HA 0.371 4.691 4.320 -0.000 0.000 0.272 201 K C -2.283 174.283 176.600 -0.056 0.000 1.001 201 K CA -1.813 54.463 56.287 -0.019 0.000 0.915 201 K CB 1.706 34.207 32.500 0.002 0.000 1.047 201 K HN 0.026 nan 8.250 nan 0.000 0.458 202 P HA 0.378 nan 4.420 nan 0.000 0.285 202 P C -0.849 176.410 177.300 -0.068 0.000 1.280 202 P CA -0.754 62.285 63.100 -0.101 0.000 0.862 202 P CB 1.539 33.194 31.700 -0.074 0.000 1.153 203 L N 2.391 123.577 121.223 -0.062 0.000 2.298 203 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 203 L C -0.043 176.942 176.870 0.191 0.000 1.013 203 L CA -0.707 54.184 54.840 0.085 0.000 0.824 203 L CB 0.882 43.012 42.059 0.120 0.000 1.221 203 L HN 0.353 nan 8.230 nan 0.000 0.418 204 R N 4.836 125.415 120.500 0.131 0.000 2.460 204 R HA 0.549 4.889 4.340 -0.000 0.000 0.303 204 R C -1.260 175.131 176.300 0.153 0.000 0.968 204 R CA -0.929 55.221 56.100 0.084 0.000 0.889 204 R CB 2.457 32.766 30.300 0.015 0.000 1.123 204 R HN 0.374 nan 8.270 nan 0.000 0.455 205 L N 1.666 122.979 121.223 0.150 0.000 2.376 205 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 205 L C -1.208 175.710 176.870 0.080 0.000 0.987 205 L CA -0.602 54.349 54.840 0.186 0.000 0.828 205 L CB 1.783 44.079 42.059 0.394 0.000 1.249 205 L HN 0.768 nan 8.230 nan 0.000 0.409 206 A N 5.103 127.961 122.820 0.063 0.000 2.318 206 A HA 0.847 5.167 4.320 -0.000 0.000 0.317 206 A C -1.354 176.255 177.584 0.041 0.000 1.159 206 A CA -0.503 51.554 52.037 0.035 0.000 0.799 206 A CB 1.445 20.456 19.000 0.020 0.000 1.194 206 A HN 0.550 nan 8.150 nan 0.000 0.479 207 V N 2.032 121.968 119.914 0.038 0.000 2.735 207 V HA 0.814 4.934 4.120 -0.000 0.000 0.310 207 V C 0.039 176.148 176.094 0.026 0.000 1.061 207 V CA -0.177 62.144 62.300 0.035 0.000 0.913 207 V CB 1.933 33.785 31.823 0.047 0.000 1.005 207 V HN 1.250 nan 8.190 nan 0.000 0.428 208 S N 4.624 120.334 115.700 0.016 0.000 2.541 208 S HA 0.851 5.321 4.470 -0.000 0.000 0.271 208 S C -1.351 173.252 174.600 0.006 0.000 1.133 208 S CA -0.795 57.415 58.200 0.017 0.000 0.876 208 S CB 1.722 64.931 63.200 0.015 0.000 1.105 208 S HN 0.506 nan 8.310 nan 0.000 0.470 209 L N 2.085 123.320 121.223 0.021 0.000 2.319 209 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 209 L C 1.591 178.503 176.870 0.070 0.000 1.011 209 L CA -0.866 53.991 54.840 0.029 0.000 0.818 209 L CB 2.197 44.278 42.059 0.036 0.000 1.316 209 L HN 0.987 nan 8.230 nan 0.000 0.432 210 S N 0.432 116.200 115.700 0.112 0.000 2.356 210 S HA -0.074 4.396 4.470 -0.000 0.000 0.223 210 S C 0.430 175.023 174.600 -0.010 0.000 1.032 210 S CA 0.698 58.928 58.200 0.050 0.000 1.005 210 S CB -0.310 62.915 63.200 0.042 0.000 0.867 210 S HN 0.728 nan 8.310 nan 0.000 0.449 211 K N -0.554 119.818 120.400 -0.047 0.000 2.430 211 K HA 0.476 4.796 4.320 -0.000 0.000 0.268 211 K C 0.188 176.744 176.600 -0.072 0.000 1.043 211 K CA -0.909 55.278 56.287 -0.167 0.000 0.899 211 K CB 0.918 33.190 32.500 -0.381 0.000 1.472 211 K HN -0.131 nan 8.250 nan 0.000 0.451 212 E N 0.501 120.667 120.200 -0.057 0.000 2.318 212 E HA 0.127 4.477 4.350 -0.000 0.000 0.193 212 E C -0.184 176.486 176.600 0.117 0.000 0.998 212 E CA 0.411 56.859 56.400 0.080 0.000 0.859 212 E CB 0.342 30.081 29.700 0.063 0.000 0.812 212 E HN 0.509 nan 8.360 nan 0.000 0.492 213 I N 1.199 121.718 120.570 -0.084 0.000 2.465 213 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 213 I C -1.136 174.762 176.117 -0.364 0.000 1.014 213 I CA -0.821 60.456 61.300 -0.037 0.000 1.093 213 I CB 1.366 39.368 38.000 0.003 0.000 1.267 213 I HN -0.141 nan 8.210 nan 0.000 0.431 214 Y N 4.692 124.971 120.300 -0.035 0.000 2.509 214 Y HA 0.520 5.070 4.550 -0.000 0.000 0.341 214 Y C -0.494 175.368 175.900 -0.064 0.000 1.038 214 Y CA -0.637 57.355 58.100 -0.181 0.000 1.089 214 Y CB 1.495 39.867 38.460 -0.147 0.000 1.241 214 Y HN 0.273 nan 8.280 nan 0.000 0.468 215 Y N 0.108 120.421 120.300 0.023 0.000 2.352 215 Y HA 0.266 4.816 4.550 0.000 0.000 0.326 215 Y C 0.169 176.032 175.900 -0.062 0.000 1.166 215 Y CA -1.734 56.344 58.100 -0.035 0.000 1.182 215 Y CB 0.118 38.591 38.460 0.022 0.000 1.216 215 Y HN 0.556 nan 8.280 nan 0.000 0.474 216 H N 0.571 119.675 119.070 0.056 0.000 3.125 216 H HA 0.292 4.848 4.556 0.000 0.000 0.310 216 H C 1.187 176.550 175.328 0.060 0.000 0.980 216 H CA 2.037 58.073 56.048 -0.020 0.000 1.422 216 H CB 0.120 29.806 29.762 -0.127 0.000 1.432 216 H HN 0.881 nan 8.280 nan 0.000 0.577 217 G N 2.361 111.242 108.800 0.136 0.000 2.241 217 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 217 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 217 G C 0.444 175.393 174.900 0.081 0.000 0.998 217 G CA 0.185 45.348 45.100 0.105 0.000 0.621 217 G HN 0.711 nan 8.290 nan 0.000 0.519 218 E N 2.062 122.320 120.200 0.098 0.000 2.360 218 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 218 E C -2.277 174.348 176.600 0.042 0.000 1.022 218 E CA -1.660 54.791 56.400 0.084 0.000 0.887 218 E CB 0.825 30.584 29.700 0.097 0.000 0.990 218 E HN 0.205 nan 8.360 nan 0.000 0.426 219 P HA 0.129 nan 4.420 nan 0.000 0.276 219 P C -0.907 176.357 177.300 -0.060 0.000 1.230 219 P CA 0.172 63.255 63.100 -0.029 0.000 0.776 219 P CB 0.518 32.209 31.700 -0.015 0.000 0.888 220 I N 5.560 125.989 120.570 -0.236 0.000 2.328 220 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 220 I C -2.113 173.826 176.117 -0.298 0.000 1.012 220 I CA -2.409 58.586 61.300 -0.507 0.000 1.195 220 I CB 1.916 39.342 38.000 -0.957 0.000 1.350 220 I HN 0.119 nan 8.210 nan 0.000 0.464 221 P HA 0.172 nan 4.420 nan 0.000 0.283 221 P C -0.490 176.745 177.300 -0.108 0.000 1.412 221 P CA -0.262 62.780 63.100 -0.096 0.000 0.912 221 P CB 1.100 32.783 31.700 -0.029 0.000 1.132 222 V N 4.696 124.537 119.914 -0.122 0.000 2.389 222 V HA 0.149 4.269 4.120 -0.000 0.000 0.264 222 V C 0.872 176.938 176.094 -0.046 0.000 1.049 222 V CA 0.308 62.550 62.300 -0.097 0.000 0.932 222 V CB 0.510 32.272 31.823 -0.101 0.000 1.011 222 V HN 0.446 nan 8.190 nan 0.000 0.475 223 T N 5.436 119.974 114.554 -0.027 0.000 2.728 223 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 223 T C -0.061 174.640 174.700 0.002 0.000 0.940 223 T CA -0.172 61.922 62.100 -0.010 0.000 1.013 223 T CB 1.169 70.034 68.868 -0.004 0.000 0.912 223 T HN 0.340 nan 8.240 nan 0.000 0.484 224 V N 2.883 122.801 119.914 0.008 0.000 2.472 224 V HA 0.741 4.861 4.120 -0.000 0.000 0.290 224 V C 0.110 176.219 176.094 0.026 0.000 1.037 224 V CA -0.782 61.532 62.300 0.022 0.000 0.908 224 V CB 1.549 33.387 31.823 0.025 0.000 0.985 224 V HN 1.000 nan 8.190 nan 0.000 0.454 225 A N 4.945 127.787 122.820 0.036 0.000 2.646 225 A HA 0.675 4.995 4.320 -0.000 0.000 0.312 225 A C -0.802 176.812 177.584 0.050 0.000 1.245 225 A CA -0.376 51.681 52.037 0.034 0.000 0.755 225 A CB 0.810 19.825 19.000 0.026 0.000 1.132 225 A HN 0.582 nan 8.150 nan 0.000 0.458 226 V N 2.090 122.036 119.914 0.053 0.000 2.461 226 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 226 V C 0.288 176.418 176.094 0.059 0.000 1.047 226 V CA 0.144 62.487 62.300 0.071 0.000 0.955 226 V CB 1.337 33.200 31.823 0.067 0.000 0.988 226 V HN 0.759 nan 8.190 nan 0.000 0.471 227 T N 4.648 119.242 114.554 0.067 0.000 3.060 227 T HA 0.220 4.570 4.350 -0.000 0.000 0.367 227 T C 0.191 174.925 174.700 0.057 0.000 1.229 227 T CA -0.299 61.830 62.100 0.049 0.000 1.104 227 T CB -0.231 68.658 68.868 0.034 0.000 1.083 227 T HN 0.697 nan 8.240 nan 0.000 0.524 228 N N 2.035 120.769 118.700 0.056 0.000 2.663 228 N HA 0.091 4.831 4.740 -0.000 0.000 0.250 228 N C 0.631 176.169 175.510 0.046 0.000 1.129 228 N CA -0.393 52.694 53.050 0.062 0.000 0.995 228 N CB 0.332 38.858 38.487 0.065 0.000 1.324 228 N HN 0.267 nan 8.380 nan 0.000 0.512 229 S N 0.885 116.606 115.700 0.036 0.000 2.631 229 S HA -0.005 4.465 4.470 -0.000 0.000 0.217 229 S C 0.807 175.425 174.600 0.030 0.000 0.958 229 S CA -0.009 58.205 58.200 0.024 0.000 0.920 229 S CB 0.321 63.526 63.200 0.009 0.000 0.776 229 S HN 0.500 nan 8.310 nan 0.000 0.517 230 T N 1.540 116.124 114.554 0.050 0.000 2.788 230 T HA 0.142 4.492 4.350 -0.000 0.000 0.280 230 T C 1.168 175.911 174.700 0.073 0.000 0.984 230 T CA -0.304 61.843 62.100 0.077 0.000 0.972 230 T CB 0.686 69.642 68.868 0.147 0.000 1.039 230 T HN 0.103 nan 8.240 nan 0.000 0.530 231 E N 0.531 120.779 120.200 0.081 0.000 2.250 231 E HA 0.068 4.418 4.350 -0.000 0.000 0.192 231 E C 0.318 176.951 176.600 0.055 0.000 0.986 231 E CA 0.581 57.015 56.400 0.056 0.000 0.849 231 E CB 0.308 30.036 29.700 0.047 0.000 0.797 231 E HN 0.405 nan 8.360 nan 0.000 0.482 232 K N 0.696 121.145 120.400 0.081 0.000 2.107 232 K HA 0.136 4.456 4.320 -0.000 0.000 0.251 232 K C 0.316 176.949 176.600 0.054 0.000 1.012 232 K CA -0.046 56.274 56.287 0.056 0.000 0.920 232 K CB 1.008 33.539 32.500 0.053 0.000 1.033 232 K HN -0.102 nan 8.250 nan 0.000 0.478 233 T N -1.550 113.020 114.554 0.027 0.000 2.888 233 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 233 T C -0.618 174.092 174.700 0.016 0.000 1.017 233 T CA -0.910 61.205 62.100 0.025 0.000 1.022 233 T CB 1.010 69.886 68.868 0.014 0.000 1.013 233 T HN 0.129 nan 8.240 nan 0.000 0.465 234 V N 6.371 126.299 119.914 0.023 0.000 2.387 234 V HA 0.197 4.317 4.120 -0.000 0.000 0.260 234 V C 1.400 177.493 176.094 -0.001 0.000 1.054 234 V CA -0.145 62.161 62.300 0.012 0.000 0.967 234 V CB 0.144 31.982 31.823 0.025 0.000 1.036 234 V HN 0.963 nan 8.190 nan 0.000 0.481 235 K N 3.181 123.572 120.400 -0.014 0.000 2.025 235 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 235 K C 0.871 177.463 176.600 -0.012 0.000 1.049 235 K CA 1.111 57.389 56.287 -0.015 0.000 0.933 235 K CB 0.216 32.701 32.500 -0.024 0.000 0.714 235 K HN 0.474 nan 8.250 nan 0.000 0.438 236 K N 0.715 121.105 120.400 -0.017 0.000 2.468 236 K HA 0.360 4.680 4.320 -0.000 0.000 0.252 236 K C -1.537 175.056 176.600 -0.012 0.000 0.932 236 K CA -0.391 55.888 56.287 -0.013 0.000 0.794 236 K CB 1.466 33.956 32.500 -0.016 0.000 1.241 236 K HN -0.081 nan 8.250 nan 0.000 0.428 237 I N 4.023 124.591 120.570 -0.004 0.000 2.354 237 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 237 I C -0.524 175.594 176.117 0.001 0.000 1.007 237 I CA -0.681 60.620 61.300 0.001 0.000 1.167 237 I CB 1.608 39.613 38.000 0.009 0.000 1.320 237 I HN 0.427 nan 8.210 nan 0.000 0.458 238 K N 5.952 126.353 120.400 0.002 0.000 2.274 238 K HA 0.664 4.984 4.320 -0.000 0.000 0.262 238 K C -1.410 175.197 176.600 0.011 0.000 0.961 238 K CA -0.538 55.751 56.287 0.004 0.000 0.833 238 K CB 1.969 34.471 32.500 0.002 0.000 1.102 238 K HN 0.335 nan 8.250 nan 0.000 0.436 239 V N 5.916 125.834 119.914 0.007 0.000 2.459 239 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 239 V C -0.959 175.141 176.094 0.009 0.000 1.029 239 V CA -0.865 61.440 62.300 0.008 0.000 0.874 239 V CB 1.201 33.019 31.823 -0.008 0.000 0.985 239 V HN 0.679 nan 8.190 nan 0.000 0.438 240 L N 3.892 125.129 121.223 0.024 0.000 2.466 240 L HA 0.803 5.143 4.340 -0.000 0.000 0.258 240 L C -0.731 176.177 176.870 0.064 0.000 0.973 240 L CA -0.836 54.025 54.840 0.035 0.000 0.826 240 L CB 1.766 43.848 42.059 0.039 0.000 1.372 240 L HN 0.228 nan 8.230 nan 0.000 0.409 241 V N 1.113 121.077 119.914 0.082 0.000 2.385 241 V HA 0.473 4.593 4.120 -0.000 0.000 0.269 241 V C 0.061 176.258 176.094 0.173 0.000 1.043 241 V CA -0.236 62.163 62.300 0.166 0.000 0.906 241 V CB 0.730 32.664 31.823 0.184 0.000 0.995 241 V HN 0.830 nan 8.190 nan 0.000 0.467 242 E N 3.528 123.832 120.200 0.173 0.000 2.191 242 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 242 E C -0.668 175.958 176.600 0.042 0.000 0.948 242 E CA -0.623 55.836 56.400 0.098 0.000 0.802 242 E CB 2.291 32.029 29.700 0.062 0.000 1.137 242 E HN 0.647 nan 8.360 nan 0.000 0.397 243 Q N 2.547 122.307 119.800 -0.066 0.000 2.333 243 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 243 Q C -1.473 174.349 176.000 -0.297 0.000 0.989 243 Q CA -0.615 54.974 55.803 -0.357 0.000 0.842 243 Q CB 1.457 30.007 28.738 -0.314 0.000 1.262 243 Q HN 0.311 nan 8.270 nan 0.000 0.451 244 V N 4.086 123.790 119.914 -0.349 0.000 2.347 244 V HA 0.366 4.486 4.120 -0.000 0.000 0.280 244 V C -0.276 175.658 176.094 -0.266 0.000 1.021 244 V CA -0.384 61.751 62.300 -0.277 0.000 0.847 244 V CB 1.552 33.273 31.823 -0.170 0.000 0.990 244 V HN 0.800 nan 8.190 nan 0.000 0.444 245 T N 4.449 118.854 114.554 -0.247 0.000 2.797 245 T HA 0.436 4.786 4.350 -0.000 0.000 0.279 245 T C -0.292 174.390 174.700 -0.030 0.000 0.991 245 T CA -0.511 61.508 62.100 -0.134 0.000 0.979 245 T CB 0.899 69.677 68.868 -0.152 0.000 0.943 245 T HN 0.641 nan 8.240 nan 0.000 0.444 246 N N 1.601 120.331 118.700 0.050 0.000 2.540 246 N HA 0.417 5.157 4.740 -0.000 0.000 0.275 246 N C -0.947 174.652 175.510 0.149 0.000 1.053 246 N CA -0.410 52.730 53.050 0.150 0.000 0.876 246 N CB 1.126 39.707 38.487 0.157 0.000 1.284 246 N HN 0.314 nan 8.380 nan 0.000 0.518 247 V N 3.350 123.392 119.914 0.213 0.000 2.439 247 V HA 0.044 4.164 4.120 -0.000 0.000 0.271 247 V C 1.121 177.269 176.094 0.090 0.000 1.040 247 V CA -0.128 62.295 62.300 0.205 0.000 1.002 247 V CB 0.839 32.874 31.823 0.354 0.000 1.000 247 V HN 0.593 nan 8.190 nan 0.000 0.477 248 V N 3.203 123.114 119.914 -0.006 0.000 3.121 248 V HA 0.346 4.466 4.120 -0.000 0.000 0.344 248 V C 0.671 176.667 176.094 -0.164 0.000 1.390 248 V CA 0.409 62.671 62.300 -0.064 0.000 1.177 248 V CB 0.326 32.125 31.823 -0.041 0.000 1.163 248 V HN 0.576 nan 8.190 nan 0.000 0.484 249 L N -0.803 120.258 121.223 -0.269 0.000 2.675 249 L HA 0.443 4.783 4.340 -0.000 0.000 0.178 249 L C 1.975 178.693 176.870 -0.254 0.000 1.135 249 L CA 1.364 55.990 54.840 -0.356 0.000 0.855 249 L CB -0.361 41.125 42.059 -0.954 0.000 1.235 249 L HN 0.336 nan 8.230 nan 0.000 0.499 250 Y N -0.063 119.998 120.300 -0.398 0.000 2.239 250 Y HA 0.268 4.818 4.550 -0.000 0.000 0.293 250 Y C 0.984 176.543 175.900 -0.569 0.000 1.126 250 Y CA 0.387 58.039 58.100 -0.747 0.000 1.128 250 Y CB 0.003 37.913 38.460 -0.917 0.000 1.066 250 Y HN 0.204 nan 8.280 nan 0.000 0.516 251 S N -0.305 115.036 115.700 -0.599 0.000 2.542 251 S HA 0.433 4.903 4.470 -0.000 0.000 0.293 251 S C -0.399 174.092 174.600 -0.182 0.000 1.089 251 S CA -0.319 57.590 58.200 -0.486 0.000 0.961 251 S CB 1.383 64.283 63.200 -0.501 0.000 1.062 251 S HN 0.341 nan 8.310 nan 0.000 0.483 252 S N 1.251 116.880 115.700 -0.118 0.000 4.087 252 S HA 0.267 4.737 4.470 -0.000 0.000 0.213 252 S C -0.525 174.115 174.600 0.066 0.000 1.415 252 S CA -0.675 57.517 58.200 -0.012 0.000 0.893 252 S CB -0.992 62.188 63.200 -0.034 0.000 1.529 252 S HN 0.658 nan 8.310 nan 0.000 0.457 253 D N 1.798 122.292 120.400 0.157 0.000 2.357 253 D HA 0.280 4.920 4.640 -0.000 0.000 0.242 253 D C -0.598 175.855 176.300 0.255 0.000 1.153 253 D CA 0.181 54.297 54.000 0.194 0.000 0.918 253 D CB 0.329 41.367 40.800 0.397 0.000 1.181 253 D HN 0.624 nan 8.370 nan 0.000 0.435 254 Y N 0.640 120.894 120.300 -0.077 0.000 2.433 254 Y HA 0.374 4.924 4.550 -0.000 0.000 0.337 254 Y C -1.842 173.956 175.900 -0.171 0.000 1.026 254 Y CA -0.783 57.313 58.100 -0.007 0.000 1.037 254 Y CB 0.959 39.396 38.460 -0.040 0.000 1.245 254 Y HN 0.238 nan 8.280 nan 0.000 0.443 255 Y N 5.809 125.775 120.300 -0.558 0.000 2.524 255 Y HA 0.736 5.286 4.550 -0.000 0.000 0.347 255 Y C -0.855 174.715 175.900 -0.549 0.000 1.005 255 Y CA -1.615 56.257 58.100 -0.380 0.000 1.025 255 Y CB 2.052 40.403 38.460 -0.182 0.000 1.275 255 Y HN 0.442 nan 8.280 nan 0.000 0.460 256 I N 3.679 124.156 120.570 -0.156 0.000 2.512 256 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 256 I C -1.144 174.963 176.117 -0.016 0.000 1.069 256 I CA -0.917 60.311 61.300 -0.120 0.000 1.056 256 I CB 1.797 39.770 38.000 -0.045 0.000 1.229 256 I HN 0.388 nan 8.210 nan 0.000 0.429 257 K N 3.690 124.082 120.400 -0.013 0.000 2.464 257 K HA 0.468 4.788 4.320 -0.000 0.000 0.253 257 K C -0.807 175.814 176.600 0.035 0.000 0.933 257 K CA -0.779 55.522 56.287 0.023 0.000 0.801 257 K CB 2.481 35.000 32.500 0.032 0.000 1.271 257 K HN 0.422 nan 8.250 nan 0.000 0.430 258 T N 1.277 115.858 114.554 0.045 0.000 2.814 258 T HA 0.117 4.467 4.350 -0.000 0.000 0.297 258 T C 1.066 175.805 174.700 0.066 0.000 0.956 258 T CA -0.116 62.019 62.100 0.057 0.000 1.123 258 T CB 0.754 69.650 68.868 0.047 0.000 0.902 258 T HN 0.232 nan 8.240 nan 0.000 0.528 259 V N 2.192 122.161 119.914 0.092 0.000 3.605 259 V HA 0.576 4.696 4.120 -0.000 0.000 0.284 259 V C 0.480 176.624 176.094 0.083 0.000 1.386 259 V CA 0.623 62.985 62.300 0.104 0.000 1.053 259 V CB -0.048 31.878 31.823 0.172 0.000 0.857 259 V HN 1.061 nan 8.190 nan 0.000 0.436 260 A N -0.347 122.515 122.820 0.069 0.000 2.590 260 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 260 A C -1.072 176.531 177.584 0.032 0.000 1.050 260 A CA 0.204 52.266 52.037 0.042 0.000 0.697 260 A CB 1.294 20.312 19.000 0.030 0.000 1.277 260 A HN 0.865 nan 8.150 nan 0.000 0.411 261 A N 0.735 123.566 122.820 0.017 0.000 2.604 261 A HA 0.913 5.233 4.320 -0.000 0.000 0.295 261 A C -1.029 176.556 177.584 0.002 0.000 1.067 261 A CA -0.204 51.840 52.037 0.012 0.000 0.683 261 A CB 1.794 20.805 19.000 0.018 0.000 1.281 261 A HN 1.317 nan 8.150 nan 0.000 0.407 262 E N 0.075 120.274 120.200 -0.002 0.000 2.392 262 E HA 0.560 4.910 4.350 -0.000 0.000 0.279 262 E C -1.465 175.132 176.600 -0.004 0.000 0.964 262 E CA -0.287 56.109 56.400 -0.006 0.000 0.777 262 E CB 1.661 31.351 29.700 -0.016 0.000 1.249 262 E HN 0.746 nan 8.360 nan 0.000 0.449 263 E N 2.042 122.240 120.200 -0.004 0.000 2.260 263 E HA 0.740 5.090 4.350 -0.000 0.000 0.266 263 E C -1.109 175.490 176.600 -0.003 0.000 0.887 263 E CA -1.223 55.176 56.400 -0.003 0.000 0.777 263 E CB 1.547 31.246 29.700 -0.002 0.000 1.205 263 E HN 0.505 nan 8.360 nan 0.000 0.414 264 A N 2.962 125.780 122.820 -0.003 0.000 2.483 264 A HA 0.018 4.338 4.320 -0.000 0.000 0.238 264 A C 0.851 178.434 177.584 -0.001 0.000 1.070 264 A CA -0.173 51.863 52.037 -0.002 0.000 0.770 264 A CB 0.449 19.449 19.000 0.000 0.000 1.008 264 A HN 0.741 nan 8.150 nan 0.000 0.497 265 Q N 0.299 120.099 119.800 -0.001 0.000 2.331 265 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 265 Q C 0.007 176.007 176.000 -0.000 0.000 0.944 265 Q CA 0.774 56.577 55.803 -0.001 0.000 0.892 265 Q CB -0.054 28.683 28.738 -0.001 0.000 0.983 265 Q HN 0.859 nan 8.270 nan 0.000 0.482 266 E N 0.815 121.016 120.200 0.001 0.000 2.392 266 E HA 0.156 4.506 4.350 -0.000 0.000 0.259 266 E C -0.294 176.308 176.600 0.004 0.000 1.108 266 E CA 0.312 56.714 56.400 0.003 0.000 0.916 266 E CB 0.778 30.481 29.700 0.005 0.000 0.989 266 E HN -0.092 nan 8.360 nan 0.000 0.432 267 K N 0.257 120.660 120.400 0.005 0.000 2.295 267 K HA 0.613 4.933 4.320 -0.000 0.000 0.239 267 K C -1.213 175.394 176.600 0.011 0.000 0.991 267 K CA -1.018 55.272 56.287 0.006 0.000 0.845 267 K CB 2.016 34.518 32.500 0.003 0.000 1.197 267 K HN 0.143 nan 8.250 nan 0.000 0.441 268 V N 3.128 123.052 119.914 0.015 0.000 2.326 268 V HA 0.249 4.369 4.120 -0.000 0.000 0.281 268 V C -2.422 173.686 176.094 0.023 0.000 1.015 268 V CA -2.162 60.151 62.300 0.022 0.000 0.823 268 V CB 1.079 32.921 31.823 0.031 0.000 1.009 268 V HN 0.625 nan 8.190 nan 0.000 0.436 269 P HA 0.259 nan 4.420 nan 0.000 0.272 269 P C -2.685 174.631 177.300 0.026 0.000 1.223 269 P CA -1.596 61.516 63.100 0.019 0.000 0.784 269 P CB -0.087 31.622 31.700 0.015 0.000 0.923 270 P HA -0.060 nan 4.420 nan 0.000 0.264 270 P C -0.215 177.101 177.300 0.028 0.000 1.183 270 P CA 0.865 63.984 63.100 0.032 0.000 0.763 270 P CB -0.273 31.444 31.700 0.028 0.000 0.807 271 N N 0.750 119.469 118.700 0.031 0.000 2.648 271 N HA -0.148 4.592 4.740 -0.000 0.000 0.265 271 N C -1.032 174.491 175.510 0.021 0.000 1.100 271 N CA 1.087 54.151 53.050 0.024 0.000 0.715 271 N CB -1.056 37.442 38.487 0.019 0.000 0.881 271 N HN 0.528 nan 8.380 nan 0.000 0.548 272 S N -1.699 114.015 115.700 0.024 0.000 2.615 272 S HA 0.772 5.242 4.470 -0.000 0.000 0.268 272 S C -0.758 173.857 174.600 0.025 0.000 1.146 272 S CA -0.772 57.441 58.200 0.021 0.000 0.818 272 S CB 1.812 65.024 63.200 0.019 0.000 1.111 272 S HN 0.140 nan 8.310 nan 0.000 0.465 273 S N -0.074 115.638 115.700 0.021 0.000 2.689 273 S HA 0.937 5.407 4.470 -0.000 0.000 0.306 273 S C -1.543 173.070 174.600 0.021 0.000 1.104 273 S CA -0.673 57.541 58.200 0.023 0.000 0.973 273 S CB 1.375 64.587 63.200 0.019 0.000 1.121 273 S HN 1.163 nan 8.310 nan 0.000 0.523 274 L N 1.272 122.509 121.223 0.023 0.000 2.549 274 L HA 0.652 4.992 4.340 -0.000 0.000 0.259 274 L C -1.505 175.377 176.870 0.020 0.000 0.934 274 L CA 0.165 55.017 54.840 0.020 0.000 0.865 274 L CB 1.978 44.050 42.059 0.021 0.000 1.352 274 L HN 0.639 nan 8.230 nan 0.000 0.410 275 T N 4.266 118.829 114.554 0.015 0.000 2.985 275 T HA 0.463 4.813 4.350 -0.000 0.000 0.315 275 T C -0.907 173.798 174.700 0.009 0.000 1.001 275 T CA -0.526 61.582 62.100 0.013 0.000 1.016 275 T CB 1.011 69.885 68.868 0.011 0.000 0.993 275 T HN 0.657 nan 8.240 nan 0.000 0.454 276 K N 1.691 122.096 120.400 0.008 0.000 2.350 276 K HA 0.756 5.076 4.320 -0.000 0.000 0.241 276 K C -1.007 175.593 176.600 -0.001 0.000 0.994 276 K CA -0.626 55.662 56.287 0.003 0.000 0.839 276 K CB 1.776 34.278 32.500 0.003 0.000 1.244 276 K HN 0.397 nan 8.250 nan 0.000 0.443 277 T N 2.628 117.178 114.554 -0.007 0.000 2.809 277 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 277 T C -0.790 173.898 174.700 -0.020 0.000 0.992 277 T CA -0.627 61.465 62.100 -0.014 0.000 0.957 277 T CB 0.459 69.319 68.868 -0.014 0.000 0.942 277 T HN 0.322 nan 8.240 nan 0.000 0.439 278 L N 2.702 123.908 121.223 -0.029 0.000 2.317 278 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 278 L C 0.385 177.222 176.870 -0.055 0.000 1.024 278 L CA -0.780 54.039 54.840 -0.034 0.000 0.810 278 L CB 1.738 43.779 42.059 -0.030 0.000 1.240 278 L HN 0.521 nan 8.230 nan 0.000 0.427 279 T N 4.205 118.728 114.554 -0.052 0.000 2.771 279 T HA 0.622 4.972 4.350 -0.000 0.000 0.281 279 T C -0.226 174.429 174.700 -0.075 0.000 0.982 279 T CA -0.297 61.761 62.100 -0.069 0.000 0.978 279 T CB 0.984 69.823 68.868 -0.049 0.000 0.930 279 T HN 0.275 nan 8.240 nan 0.000 0.447 280 L N 2.992 124.146 121.223 -0.116 0.000 2.341 280 L HA 0.809 5.149 4.340 -0.000 0.000 0.267 280 L C -0.948 175.851 176.870 -0.118 0.000 1.009 280 L CA -1.179 53.597 54.840 -0.106 0.000 0.819 280 L CB 2.288 44.273 42.059 -0.123 0.000 1.323 280 L HN 0.318 nan 8.230 nan 0.000 0.425 281 V N 1.853 121.724 119.914 -0.072 0.000 2.498 281 V HA 0.275 4.395 4.120 -0.000 0.000 0.283 281 V C -2.485 173.596 176.094 -0.022 0.000 1.015 281 V CA -1.317 60.950 62.300 -0.054 0.000 0.867 281 V CB 1.562 33.371 31.823 -0.023 0.000 1.025 281 V HN 0.563 nan 8.190 nan 0.000 0.441 282 P HA 0.496 nan 4.420 nan 0.000 0.280 282 P C -0.909 176.415 177.300 0.040 0.000 1.300 282 P CA 0.095 63.203 63.100 0.014 0.000 0.785 282 P CB 0.508 32.199 31.700 -0.015 0.000 0.874 283 L N 3.179 124.438 121.223 0.061 0.000 2.455 283 L HA 0.281 4.621 4.340 -0.000 0.000 0.264 283 L C 1.111 178.025 176.870 0.073 0.000 0.968 283 L CA -0.946 53.940 54.840 0.075 0.000 0.827 283 L CB 2.386 44.480 42.059 0.058 0.000 1.317 283 L HN 0.134 nan 8.230 nan 0.000 0.407 284 L N 3.061 124.330 121.223 0.078 0.000 2.131 284 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 284 L C 2.354 179.252 176.870 0.048 0.000 1.092 284 L CA 2.374 57.253 54.840 0.064 0.000 0.759 284 L CB -0.422 41.670 42.059 0.056 0.000 0.903 284 L HN 0.821 nan 8.230 nan 0.000 0.435 285 A N -0.269 122.578 122.820 0.044 0.000 2.024 285 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 285 A C 1.901 179.504 177.584 0.032 0.000 1.164 285 A CA 1.883 53.941 52.037 0.035 0.000 0.643 285 A CB -0.743 18.277 19.000 0.034 0.000 0.806 285 A HN 0.672 nan 8.150 nan 0.000 0.451 286 N N 0.709 119.430 118.700 0.035 0.000 2.446 286 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 286 N C -0.295 175.233 175.510 0.031 0.000 1.054 286 N CA 0.322 53.390 53.050 0.030 0.000 0.905 286 N CB -0.300 38.205 38.487 0.031 0.000 0.973 286 N HN 0.590 nan 8.380 nan 0.000 0.448 287 N N 1.466 120.187 118.700 0.035 0.000 2.439 287 N HA 0.192 4.932 4.740 -0.000 0.000 0.249 287 N C 0.651 176.177 175.510 0.027 0.000 1.003 287 N CA -0.235 52.835 53.050 0.033 0.000 0.942 287 N CB 1.539 40.049 38.487 0.039 0.000 1.115 287 N HN 0.053 nan 8.380 nan 0.000 0.505 288 R N 0.992 121.506 120.500 0.023 0.000 2.081 288 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 288 R C 0.391 176.702 176.300 0.018 0.000 1.131 288 R CA 1.083 57.195 56.100 0.019 0.000 0.960 288 R CB -0.024 30.286 30.300 0.017 0.000 0.856 288 R HN 0.528 nan 8.270 nan 0.000 0.436 289 E N 1.246 121.458 120.200 0.020 0.000 2.129 289 E HA 0.009 4.359 4.350 -0.000 0.000 0.283 289 E C 0.036 176.647 176.600 0.019 0.000 1.080 289 E CA 0.192 56.603 56.400 0.019 0.000 0.867 289 E CB 0.596 30.309 29.700 0.022 0.000 1.056 289 E HN 0.040 nan 8.360 nan 0.000 0.404 290 R N 3.450 123.958 120.500 0.013 0.000 2.362 290 R HA 0.203 4.543 4.340 -0.000 0.000 0.227 290 R C 1.432 177.732 176.300 -0.001 0.000 0.905 290 R CA -0.177 55.929 56.100 0.009 0.000 1.067 290 R CB 0.307 30.610 30.300 0.006 0.000 1.078 290 R HN 0.320 nan 8.270 nan 0.000 0.516 291 R N 0.812 121.313 120.500 0.003 0.000 2.082 291 R HA -0.042 4.298 4.340 -0.000 0.000 0.228 291 R C 1.966 178.263 176.300 -0.006 0.000 1.140 291 R CA 1.918 58.017 56.100 -0.002 0.000 0.920 291 R CB -0.744 29.562 30.300 0.011 0.000 0.828 291 R HN 0.254 nan 8.270 nan 0.000 0.430 292 G N 0.806 109.618 108.800 0.020 0.000 2.990 292 G HA2 0.101 4.061 3.960 -0.000 0.000 0.206 292 G HA3 0.101 4.061 3.960 -0.000 0.000 0.206 292 G C 0.299 175.173 174.900 -0.044 0.000 1.169 292 G CA 0.213 45.333 45.100 0.033 0.000 0.819 292 G HN 0.361 nan 8.290 nan 0.000 0.517 293 I N -3.235 117.293 120.570 -0.070 0.000 2.797 293 I HA 0.770 4.940 4.170 -0.000 0.000 0.307 293 I C 0.156 176.201 176.117 -0.121 0.000 1.033 293 I CA -1.705 59.538 61.300 -0.095 0.000 1.071 293 I CB 2.122 40.111 38.000 -0.018 0.000 1.255 293 I HN -0.107 nan 8.210 nan 0.000 0.445 294 A N 5.667 128.411 122.820 -0.127 0.000 2.438 294 A HA 0.587 4.907 4.320 -0.000 0.000 0.280 294 A C -0.222 177.362 177.584 0.001 0.000 1.160 294 A CA -0.130 51.855 52.037 -0.087 0.000 0.821 294 A CB -0.414 18.530 19.000 -0.095 0.000 1.101 294 A HN 0.651 nan 8.150 nan 0.000 0.515 295 L N 1.583 122.809 121.223 0.006 0.000 2.304 295 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 295 L C 0.608 177.511 176.870 0.055 0.000 1.010 295 L CA -0.866 53.996 54.840 0.037 0.000 0.813 295 L CB 1.438 43.509 42.059 0.020 0.000 1.315 295 L HN 0.776 nan 8.230 nan 0.000 0.445 296 D N -1.222 119.214 120.400 0.061 0.000 2.368 296 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 296 D C 0.277 176.624 176.300 0.079 0.000 1.112 296 D CA -0.057 53.989 54.000 0.076 0.000 0.834 296 D CB 0.784 41.623 40.800 0.065 0.000 0.953 296 D HN 0.578 nan 8.370 nan 0.000 0.505 297 G N -0.897 107.944 108.800 0.069 0.000 2.619 297 G HA2 0.417 4.377 3.960 -0.000 0.000 0.305 297 G HA3 0.417 4.377 3.960 -0.000 0.000 0.305 297 G C -1.404 173.527 174.900 0.052 0.000 1.330 297 G CA -1.058 44.095 45.100 0.087 0.000 0.789 297 G HN 0.024 nan 8.290 nan 0.000 0.487 298 K N -0.134 120.294 120.400 0.047 0.000 2.295 298 K HA 0.404 4.724 4.320 -0.000 0.000 0.270 298 K C 1.598 178.134 176.600 -0.108 0.000 1.011 298 K CA -0.203 56.029 56.287 -0.092 0.000 0.953 298 K CB 0.808 33.118 32.500 -0.317 0.000 0.956 298 K HN 0.333 nan 8.250 nan 0.000 0.477 299 I N 2.681 123.188 120.570 -0.106 0.000 2.361 299 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 299 I C 1.653 177.719 176.117 -0.085 0.000 1.133 299 I CA 1.391 62.649 61.300 -0.071 0.000 1.413 299 I CB -0.273 37.692 38.000 -0.057 0.000 1.073 299 I HN 0.621 nan 8.210 nan 0.000 0.424 300 K N 0.478 120.774 120.400 -0.175 0.000 2.525 300 K HA 0.013 4.333 4.320 -0.000 0.000 0.192 300 K C 0.032 176.594 176.600 -0.063 0.000 1.029 300 K CA 0.448 56.649 56.287 -0.143 0.000 1.029 300 K CB -0.284 32.115 32.500 -0.169 0.000 0.814 300 K HN 0.391 nan 8.250 nan 0.000 0.503 301 H N 0.160 119.231 119.070 0.002 0.000 2.457 301 H HA 0.067 4.623 4.556 -0.000 0.000 0.335 301 H C 0.314 175.637 175.328 -0.008 0.000 1.115 301 H CA -0.959 55.086 56.048 -0.004 0.000 1.219 301 H CB 2.216 31.972 29.762 -0.010 0.000 1.471 301 H HN 0.080 nan 8.280 nan 0.000 0.491 302 E N 2.205 122.478 120.200 0.122 0.000 2.085 302 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 302 E C 1.175 177.797 176.600 0.036 0.000 0.994 302 E CA 1.770 58.203 56.400 0.054 0.000 0.801 302 E CB -0.054 29.662 29.700 0.027 0.000 0.743 302 E HN 0.711 nan 8.360 nan 0.000 0.453 303 D N -0.431 119.981 120.400 0.019 0.000 2.170 303 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 303 D C 0.028 176.330 176.300 0.003 0.000 1.004 303 D CA 1.524 55.513 54.000 -0.019 0.000 0.860 303 D CB -0.289 40.468 40.800 -0.072 0.000 0.931 303 D HN 0.183 nan 8.370 nan 0.000 0.448 304 T N 1.269 115.852 114.554 0.049 0.000 2.946 304 T HA 0.102 4.452 4.350 -0.000 0.000 0.311 304 T C 0.163 174.875 174.700 0.019 0.000 1.063 304 T CA 0.015 62.140 62.100 0.042 0.000 1.139 304 T CB 0.404 69.308 68.868 0.058 0.000 0.994 304 T HN 0.141 nan 8.240 nan 0.000 0.547 305 N N 1.307 120.010 118.700 0.005 0.000 2.761 305 N HA 0.449 5.189 4.740 -0.000 0.000 0.283 305 N C -0.729 174.789 175.510 0.014 0.000 1.377 305 N CA -0.849 52.191 53.050 -0.016 0.000 0.791 305 N CB 1.036 39.453 38.487 -0.116 0.000 1.540 305 N HN 0.299 nan 8.380 nan 0.000 0.539 306 L N 1.133 122.389 121.223 0.055 0.000 2.452 306 L HA 0.359 4.699 4.340 -0.000 0.000 0.267 306 L C 1.085 178.064 176.870 0.181 0.000 1.188 306 L CA -0.411 54.523 54.840 0.157 0.000 0.821 306 L CB 0.212 42.433 42.059 0.270 0.000 1.102 306 L HN 0.581 nan 8.230 nan 0.000 0.470 307 A N 2.038 124.979 122.820 0.202 0.000 2.445 307 A HA 0.374 4.694 4.320 -0.000 0.000 0.242 307 A C 0.335 178.112 177.584 0.321 0.000 1.075 307 A CA -0.299 51.854 52.037 0.193 0.000 0.777 307 A CB 0.072 19.151 19.000 0.130 0.000 1.013 307 A HN 0.708 nan 8.150 nan 0.000 0.493 308 S N 0.728 116.581 115.700 0.255 0.000 2.614 308 S HA 0.311 4.781 4.470 -0.000 0.000 0.265 308 S C 0.663 175.401 174.600 0.229 0.000 1.303 308 S CA -0.520 57.831 58.200 0.252 0.000 1.000 308 S CB 0.749 64.055 63.200 0.175 0.000 0.935 308 S HN 0.750 nan 8.310 nan 0.000 0.551 309 S N 2.055 117.874 115.700 0.199 0.000 2.537 309 S HA 0.099 4.569 4.470 -0.000 0.000 0.286 309 S C 0.447 175.103 174.600 0.094 0.000 1.299 309 S CA -0.227 58.066 58.200 0.155 0.000 1.067 309 S CB 0.091 63.352 63.200 0.102 0.000 0.864 309 S HN 0.662 nan 8.310 nan 0.000 0.494 310 T N 3.940 118.533 114.554 0.066 0.000 2.940 310 T HA 0.235 4.585 4.350 -0.000 0.000 0.309 310 T C 0.232 174.966 174.700 0.057 0.000 1.056 310 T CA 0.240 62.378 62.100 0.063 0.000 1.137 310 T CB -0.078 68.820 68.868 0.051 0.000 0.976 310 T HN 0.412 nan 8.240 nan 0.000 0.547 311 I N 3.917 124.524 120.570 0.061 0.000 2.466 311 I HA 0.351 4.521 4.170 -0.000 0.000 0.279 311 I C -0.238 175.913 176.117 0.056 0.000 1.033 311 I CA -0.570 60.763 61.300 0.056 0.000 1.123 311 I CB 1.115 39.149 38.000 0.056 0.000 1.237 311 I HN 0.464 nan 8.210 nan 0.000 0.460 312 I N 5.721 126.323 120.570 0.053 0.000 2.371 312 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 312 I C 0.551 176.702 176.117 0.056 0.000 1.028 312 I CA -0.519 60.816 61.300 0.058 0.000 1.345 312 I CB 0.961 38.991 38.000 0.051 0.000 1.407 312 I HN 0.541 nan 8.210 nan 0.000 0.501 313 K N 6.547 126.987 120.400 0.066 0.000 2.350 313 K HA 0.069 4.389 4.320 -0.000 0.000 0.279 313 K C 0.241 176.875 176.600 0.057 0.000 1.027 313 K CA -0.339 55.986 56.287 0.063 0.000 0.969 313 K CB 0.722 33.272 32.500 0.084 0.000 0.954 313 K HN 0.598 nan 8.250 nan 0.000 0.474 314 E N 2.576 122.803 120.200 0.046 0.000 2.452 314 E HA -0.009 4.341 4.350 -0.000 0.000 0.261 314 E C 0.606 177.229 176.600 0.038 0.000 0.987 314 E CA 1.166 57.590 56.400 0.038 0.000 0.926 314 E CB 0.214 29.933 29.700 0.033 0.000 0.934 314 E HN 0.862 nan 8.360 nan 0.000 0.452 315 G N 3.941 112.760 108.800 0.030 0.000 2.358 315 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.224 315 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.224 315 G C 0.128 175.040 174.900 0.021 0.000 1.073 315 G CA 0.045 45.160 45.100 0.024 0.000 0.635 315 G HN 0.539 nan 8.290 nan 0.000 0.509 316 I N 2.617 123.208 120.570 0.035 0.000 2.618 316 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 316 I C 0.550 176.684 176.117 0.028 0.000 1.146 316 I CA -0.738 60.583 61.300 0.035 0.000 1.425 316 I CB 1.040 39.089 38.000 0.080 0.000 1.383 316 I HN 0.312 nan 8.210 nan 0.000 0.562 317 D N 5.752 126.160 120.400 0.014 0.000 2.382 317 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 317 D C 1.313 177.626 176.300 0.021 0.000 1.224 317 D CA -0.085 53.922 54.000 0.011 0.000 0.894 317 D CB 0.733 41.533 40.800 0.000 0.000 1.127 317 D HN 0.575 nan 8.370 nan 0.000 0.487 318 K N 1.707 122.119 120.400 0.020 0.000 2.293 318 K HA -0.218 4.102 4.320 -0.000 0.000 0.204 318 K C 1.325 177.931 176.600 0.010 0.000 1.045 318 K CA 1.409 57.709 56.287 0.022 0.000 0.933 318 K CB -0.341 32.171 32.500 0.019 0.000 0.736 318 K HN 0.320 nan 8.250 nan 0.000 0.463 319 T N 1.213 115.765 114.554 -0.003 0.000 2.746 319 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 319 T C 1.772 176.456 174.700 -0.028 0.000 1.039 319 T CA 1.420 63.504 62.100 -0.027 0.000 1.142 319 T CB -0.180 68.674 68.868 -0.024 0.000 0.866 319 T HN 0.096 nan 8.240 nan 0.000 0.444 320 V N 1.855 121.777 119.914 0.014 0.000 3.186 320 V HA -0.094 4.026 4.120 -0.000 0.000 0.270 320 V C 2.102 178.238 176.094 0.070 0.000 1.149 320 V CA 0.980 63.310 62.300 0.050 0.000 1.160 320 V CB -0.691 31.182 31.823 0.083 0.000 0.758 320 V HN 0.490 nan 8.190 nan 0.000 0.516 321 M N -0.783 118.846 119.600 0.048 0.000 2.506 321 M HA 0.209 4.689 4.480 -0.000 0.000 0.260 321 M C 2.094 178.426 176.300 0.053 0.000 1.104 321 M CA 1.115 56.459 55.300 0.074 0.000 1.112 321 M CB -1.086 31.556 32.600 0.069 0.000 1.401 321 M HN 0.458 nan 8.290 nan 0.000 0.473 322 G N 1.677 110.439 108.800 -0.064 0.000 4.148 322 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 322 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 322 G C 0.483 175.348 174.900 -0.058 0.000 1.373 322 G CA 0.343 45.305 45.100 -0.230 0.000 0.940 322 G HN 0.449 nan 8.290 nan 0.000 0.610 323 I N 1.495 122.129 120.570 0.108 0.000 2.478 323 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 323 I C -0.143 176.023 176.117 0.083 0.000 1.042 323 I CA -0.744 60.634 61.300 0.130 0.000 1.067 323 I CB 1.896 40.008 38.000 0.188 0.000 1.233 323 I HN 0.126 nan 8.210 nan 0.000 0.431 324 L N 6.736 127.994 121.223 0.058 0.000 2.289 324 L HA 0.600 4.940 4.340 -0.000 0.000 0.285 324 L C -0.593 176.276 176.870 -0.002 0.000 1.049 324 L CA -0.798 54.063 54.840 0.035 0.000 0.804 324 L CB 1.600 43.681 42.059 0.036 0.000 1.195 324 L HN 0.275 nan 8.230 nan 0.000 0.428 325 V N 2.239 122.140 119.914 -0.021 0.000 2.588 325 V HA 0.645 4.765 4.120 -0.000 0.000 0.304 325 V C -0.306 175.705 176.094 -0.139 0.000 1.042 325 V CA -0.340 61.898 62.300 -0.103 0.000 0.877 325 V CB 2.138 33.921 31.823 -0.067 0.000 0.996 325 V HN 0.936 nan 8.190 nan 0.000 0.425 326 S N 3.776 119.303 115.700 -0.288 0.000 2.550 326 S HA 0.826 5.296 4.470 -0.000 0.000 0.270 326 S C -1.571 172.728 174.600 -0.501 0.000 1.145 326 S CA -0.809 57.237 58.200 -0.257 0.000 0.852 326 S CB 1.603 64.727 63.200 -0.125 0.000 1.119 326 S HN 0.400 nan 8.310 nan 0.000 0.465 327 Y N 0.943 121.042 120.300 -0.334 0.000 2.587 327 Y HA 0.755 5.305 4.550 -0.000 0.000 0.337 327 Y C 0.205 175.848 175.900 -0.427 0.000 1.065 327 Y CA -0.568 57.258 58.100 -0.457 0.000 1.126 327 Y CB 1.866 39.816 38.460 -0.849 0.000 1.279 327 Y HN 0.945 nan 8.280 nan 0.000 0.489 328 Q N 0.493 120.314 119.800 0.034 0.000 2.479 328 Q HA 0.479 4.819 4.340 -0.000 0.000 0.276 328 Q C -2.210 174.013 176.000 0.371 0.000 0.989 328 Q CA -0.914 55.027 55.803 0.230 0.000 0.864 328 Q CB 1.730 30.540 28.738 0.119 0.000 1.444 328 Q HN 0.471 nan 8.270 nan 0.000 0.388 329 I N 1.822 122.600 120.570 0.347 0.000 2.440 329 I HA 0.428 4.598 4.170 -0.000 0.000 0.294 329 I C -0.290 175.904 176.117 0.129 0.000 0.995 329 I CA -0.183 61.226 61.300 0.181 0.000 1.306 329 I CB 1.364 39.396 38.000 0.054 0.000 1.407 329 I HN 0.713 nan 8.210 nan 0.000 0.501 330 K N 5.446 125.904 120.400 0.098 0.000 2.507 330 K HA 0.559 4.879 4.320 -0.000 0.000 0.252 330 K C -1.727 174.915 176.600 0.070 0.000 0.943 330 K CA -0.467 55.873 56.287 0.090 0.000 0.808 330 K CB 1.911 34.464 32.500 0.087 0.000 1.142 330 K HN 0.347 nan 8.250 nan 0.000 0.426 331 V N 4.720 124.682 119.914 0.080 0.000 2.398 331 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 331 V C -0.552 175.583 176.094 0.068 0.000 1.026 331 V CA -0.684 61.657 62.300 0.068 0.000 0.868 331 V CB 1.383 33.253 31.823 0.079 0.000 0.982 331 V HN 0.701 nan 8.190 nan 0.000 0.443 332 K N 5.781 126.202 120.400 0.034 0.000 2.323 332 K HA 0.670 4.990 4.320 -0.000 0.000 0.259 332 K C -1.282 175.303 176.600 -0.025 0.000 0.947 332 K CA -0.554 55.734 56.287 0.003 0.000 0.819 332 K CB 2.182 34.682 32.500 -0.000 0.000 1.109 332 K HN 0.497 nan 8.250 nan 0.000 0.429 333 L N 2.122 123.300 121.223 -0.075 0.000 2.309 333 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 333 L C -0.106 176.701 176.870 -0.105 0.000 1.036 333 L CA -0.768 54.023 54.840 -0.081 0.000 0.806 333 L CB 1.833 43.830 42.059 -0.103 0.000 1.220 333 L HN 0.563 nan 8.230 nan 0.000 0.429 334 T N 2.330 116.839 114.554 -0.074 0.000 2.758 334 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 334 T C -0.187 174.464 174.700 -0.082 0.000 0.981 334 T CA -0.393 61.657 62.100 -0.083 0.000 0.965 334 T CB 1.659 70.492 68.868 -0.058 0.000 0.927 334 T HN 0.187 nan 8.240 nan 0.000 0.448 335 V N 3.234 123.075 119.914 -0.121 0.000 2.417 335 V HA 0.296 4.416 4.120 -0.000 0.000 0.291 335 V C 0.573 176.592 176.094 -0.124 0.000 1.024 335 V CA -0.915 61.315 62.300 -0.117 0.000 0.861 335 V CB 1.709 33.423 31.823 -0.181 0.000 0.985 335 V HN 0.993 nan 8.190 nan 0.000 0.436 336 S N 3.698 119.352 115.700 -0.076 0.000 2.784 336 S HA 0.207 4.677 4.470 -0.000 0.000 0.322 336 S C 1.223 175.771 174.600 -0.085 0.000 1.234 336 S CA 0.745 58.906 58.200 -0.065 0.000 1.064 336 S CB -0.019 63.160 63.200 -0.036 0.000 0.787 336 S HN 1.714 nan 8.310 nan 0.000 0.506 337 G N 2.486 111.239 108.800 -0.078 0.000 2.386 337 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.295 337 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.295 337 G C 0.230 175.060 174.900 -0.116 0.000 0.979 337 G CA 0.409 45.462 45.100 -0.078 0.000 1.193 337 G HN 0.659 nan 8.290 nan 0.000 0.508 338 L N 0.009 121.135 121.223 -0.160 0.000 2.586 338 L HA 0.535 4.875 4.340 -0.000 0.000 0.204 338 L C 1.529 178.298 176.870 -0.170 0.000 1.053 338 L CA 0.249 54.944 54.840 -0.240 0.000 0.856 338 L CB -0.028 41.782 42.059 -0.414 0.000 1.192 338 L HN 0.373 nan 8.230 nan 0.000 0.484 339 L N 0.684 121.824 121.223 -0.139 0.000 2.490 339 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 339 L C 1.449 178.279 176.870 -0.066 0.000 1.201 339 L CA 0.908 55.690 54.840 -0.097 0.000 0.869 339 L CB 0.372 42.381 42.059 -0.083 0.000 1.123 339 L HN 0.630 nan 8.230 nan 0.000 0.484 340 G N 2.125 110.894 108.800 -0.051 0.000 2.228 340 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.270 340 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.270 340 G C 0.900 175.785 174.900 -0.025 0.000 0.976 340 G CA 0.634 45.714 45.100 -0.034 0.000 0.636 340 G HN 0.686 nan 8.290 nan 0.000 0.542 341 E N -0.776 119.405 120.200 -0.030 0.000 2.228 341 E HA 0.319 4.669 4.350 -0.000 0.000 0.197 341 E C 2.327 178.945 176.600 0.029 0.000 0.909 341 E CA 0.795 57.191 56.400 -0.007 0.000 0.911 341 E CB 0.056 29.742 29.700 -0.024 0.000 0.887 341 E HN 0.528 nan 8.360 nan 0.000 0.481 342 L N -0.254 120.972 121.223 0.005 0.000 3.259 342 L HA 0.302 4.642 4.340 -0.000 0.000 0.292 342 L C 0.202 177.088 176.870 0.027 0.000 1.219 342 L CA -0.063 54.823 54.840 0.077 0.000 1.035 342 L CB 1.518 43.630 42.059 0.088 0.000 1.424 342 L HN -0.080 nan 8.230 nan 0.000 0.603 343 T N -1.328 113.207 114.554 -0.032 0.000 2.907 343 T HA 0.194 4.544 4.350 -0.000 0.000 0.344 343 T C -0.287 174.385 174.700 -0.046 0.000 1.675 343 T CA 0.141 62.220 62.100 -0.034 0.000 1.076 343 T CB 1.420 70.266 68.868 -0.036 0.000 1.483 343 T HN -0.025 nan 8.240 nan 0.000 0.487 344 S N 0.945 116.625 115.700 -0.032 0.000 2.749 344 S HA 0.475 4.945 4.470 -0.000 0.000 0.246 344 S C 0.352 174.938 174.600 -0.024 0.000 1.023 344 S CA 0.188 58.369 58.200 -0.031 0.000 1.012 344 S CB -0.182 63.002 63.200 -0.026 0.000 0.942 344 S HN 0.981 nan 8.310 nan 0.000 0.531 345 S N 0.911 116.598 115.700 -0.021 0.000 2.671 345 S HA 0.658 5.128 4.470 -0.000 0.000 0.299 345 S C -0.531 174.050 174.600 -0.032 0.000 1.116 345 S CA -1.009 57.186 58.200 -0.008 0.000 0.912 345 S CB 1.158 64.372 63.200 0.024 0.000 1.130 345 S HN 0.562 nan 8.310 nan 0.000 0.501 346 E N -0.114 120.072 120.200 -0.022 0.000 2.345 346 E HA 0.548 4.898 4.350 -0.000 0.000 0.259 346 E C -1.108 175.436 176.600 -0.093 0.000 1.117 346 E CA -1.111 55.256 56.400 -0.055 0.000 0.913 346 E CB 0.672 30.358 29.700 -0.024 0.000 1.057 346 E HN 0.332 nan 8.360 nan 0.000 0.432 347 V N 1.000 120.793 119.914 -0.202 0.000 2.293 347 V HA 0.654 4.774 4.120 -0.000 0.000 0.275 347 V C -0.271 175.655 176.094 -0.281 0.000 1.021 347 V CA -0.116 61.903 62.300 -0.468 0.000 0.815 347 V CB -0.029 31.367 31.823 -0.711 0.000 1.025 347 V HN 0.844 nan 8.190 nan 0.000 0.448 348 A N 3.475 126.314 122.820 0.031 0.000 2.588 348 A HA 0.962 5.282 4.320 -0.000 0.000 0.290 348 A C -0.638 177.161 177.584 0.359 0.000 1.136 348 A CA -0.550 51.588 52.037 0.169 0.000 0.681 348 A CB 2.372 21.428 19.000 0.093 0.000 1.282 348 A HN 0.547 nan 8.150 nan 0.000 0.421 349 T N -0.569 114.142 114.554 0.262 0.000 2.843 349 T HA 0.640 4.990 4.350 -0.000 0.000 0.302 349 T C -1.796 172.990 174.700 0.143 0.000 1.232 349 T CA -0.235 61.993 62.100 0.214 0.000 1.009 349 T CB 1.492 70.485 68.868 0.209 0.000 1.254 349 T HN 0.690 nan 8.240 nan 0.000 0.504 350 E N 0.455 120.725 120.200 0.116 0.000 2.312 350 E HA 0.717 5.067 4.350 -0.000 0.000 0.267 350 E C -1.320 175.341 176.600 0.102 0.000 0.894 350 E CA -0.666 55.799 56.400 0.108 0.000 0.773 350 E CB 2.230 31.992 29.700 0.104 0.000 1.241 350 E HN 0.372 nan 8.360 nan 0.000 0.432 351 V N 2.957 122.944 119.914 0.121 0.000 2.525 351 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 351 V C -2.336 173.879 176.094 0.201 0.000 1.034 351 V CA -1.757 60.621 62.300 0.130 0.000 0.863 351 V CB 1.819 33.706 31.823 0.108 0.000 0.999 351 V HN 0.610 nan 8.190 nan 0.000 0.423 352 P HA 0.640 nan 4.420 nan 0.000 0.282 352 P C -1.284 176.205 177.300 0.315 0.000 1.259 352 P CA -0.276 62.940 63.100 0.194 0.000 0.826 352 P CB 1.739 33.499 31.700 0.099 0.000 1.064 353 F N -1.611 118.400 119.950 0.102 0.000 2.773 353 F HA 0.633 5.160 4.527 0.000 0.000 0.314 353 F C -1.333 174.548 175.800 0.135 0.000 1.160 353 F CA -1.334 56.739 58.000 0.122 0.000 0.920 353 F CB 1.220 40.305 39.000 0.142 0.000 1.323 353 F HN 0.089 nan 8.300 nan 0.000 0.457 354 R N 1.466 122.057 120.500 0.153 0.000 2.589 354 R HA 0.749 5.089 4.340 -0.000 0.000 0.293 354 R C -1.847 174.502 176.300 0.082 0.000 0.963 354 R CA -1.173 54.929 56.100 0.004 0.000 0.905 354 R CB 2.260 32.599 30.300 0.066 0.000 1.144 354 R HN 0.731 nan 8.270 nan 0.000 0.459 355 L N 4.776 125.927 121.223 -0.119 0.000 2.341 355 L HA 0.621 4.961 4.340 -0.000 0.000 0.278 355 L C -0.669 176.046 176.870 -0.259 0.000 1.005 355 L CA -0.129 54.555 54.840 -0.260 0.000 0.818 355 L CB 1.480 43.075 42.059 -0.774 0.000 1.259 355 L HN 0.800 nan 8.230 nan 0.000 0.418 356 M N 1.304 120.749 119.600 -0.257 0.000 3.644 356 M HA 0.483 4.963 4.480 -0.000 0.000 0.311 356 M C -1.392 174.834 176.300 -0.125 0.000 1.411 356 M CA -0.991 54.227 55.300 -0.137 0.000 0.878 356 M CB 1.605 34.214 32.600 0.015 0.000 1.848 356 M HN 0.343 nan 8.290 nan 0.000 0.502 357 H N -0.219 118.832 119.070 -0.032 0.000 2.488 357 H HA 0.504 5.060 4.556 0.000 0.000 0.347 357 H C -2.502 172.528 175.328 -0.497 0.000 1.174 357 H CA -1.274 54.605 56.048 -0.282 0.000 1.307 357 H CB 0.838 30.137 29.762 -0.773 0.000 1.517 357 H HN 0.288 nan 8.280 nan 0.000 0.554 358 P HA -0.076 nan 4.420 nan 0.000 0.269 358 P C -0.076 177.011 177.300 -0.355 0.000 1.205 358 P CA 0.330 62.819 63.100 -1.019 0.000 0.780 358 P CB 0.571 31.985 31.700 -0.477 0.000 0.858 359 Q N 2.878 122.487 119.800 -0.320 0.000 2.392 359 Q HA 0.148 4.488 4.340 -0.000 0.000 0.262 359 Q C -1.712 174.209 176.000 -0.132 0.000 1.003 359 Q CA -1.321 54.419 55.803 -0.105 0.000 0.888 359 Q CB -0.501 28.215 28.738 -0.036 0.000 1.260 359 Q HN 0.416 nan 8.270 nan 0.000 0.435 360 P HA 0.042 nan 4.420 nan 0.000 0.277 360 P C -0.706 176.471 177.300 -0.206 0.000 1.271 360 P CA -0.346 62.580 63.100 -0.290 0.000 0.795 360 P CB 0.627 32.050 31.700 -0.461 0.000 1.101 361 E N 0.832 120.927 120.200 -0.175 0.000 2.413 361 E HA 0.070 4.420 4.350 -0.000 0.000 0.263 361 E C 0.248 176.784 176.600 -0.108 0.000 1.015 361 E CA 0.299 56.629 56.400 -0.118 0.000 0.916 361 E CB 0.131 29.770 29.700 -0.102 0.000 0.947 361 E HN 0.363 nan 8.360 nan 0.000 0.440 373 E N -0.210 119.748 120.200 -0.404 0.000 2.388 373 E HA 0.708 5.058 4.350 -0.000 0.000 0.269 373 E C -0.380 175.864 176.600 -0.594 0.000 1.172 373 E CA 0.129 56.060 56.400 -0.781 0.000 0.887 373 E CB 0.691 30.087 29.700 -0.508 0.000 1.544 373 E HN 1.448 nan 8.360 nan 0.000 0.451 374 N N 0.211 118.553 118.700 -0.597 0.000 3.527 374 N HA -0.094 4.646 4.740 -0.000 0.000 0.265 374 N C -1.515 173.808 175.510 -0.312 0.000 1.041 374 N CA 0.116 52.985 53.050 -0.303 0.000 0.677 374 N CB -1.622 36.748 38.487 -0.195 0.000 1.202 374 N HN 0.527 nan 8.380 nan 0.000 0.595 375 F N 0.937 120.775 119.950 -0.185 0.000 2.410 375 F HA 0.464 4.991 4.527 -0.000 0.000 0.348 375 F C 0.956 176.449 175.800 -0.513 0.000 1.106 375 F CA -0.503 57.247 58.000 -0.417 0.000 1.163 375 F CB 1.473 40.121 39.000 -0.588 0.000 1.129 375 F HN 0.006 nan 8.300 nan 0.000 0.516 376 V N 5.066 124.790 119.914 -0.317 0.000 2.409 376 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 376 V C -0.450 175.367 176.094 -0.461 0.000 1.020 376 V CA -0.926 61.207 62.300 -0.278 0.000 0.848 376 V CB 0.954 32.696 31.823 -0.136 0.000 0.990 376 V HN 0.399 nan 8.190 nan 0.000 0.430 377 F N 2.616 122.563 119.950 -0.006 0.000 2.385 377 F HA 0.623 5.150 4.527 0.000 0.000 0.336 377 F C 0.661 176.427 175.800 -0.057 0.000 1.100 377 F CA -0.302 57.682 58.000 -0.027 0.000 1.116 377 F CB 1.154 40.197 39.000 0.071 0.000 1.166 377 F HN 0.448 nan 8.300 nan 0.000 0.511 378 E N 0.459 120.695 120.200 0.059 0.000 2.393 378 E HA 0.251 4.601 4.350 -0.000 0.000 0.273 378 E C -1.353 175.339 176.600 0.154 0.000 0.918 378 E CA -1.169 55.256 56.400 0.042 0.000 0.773 378 E CB 2.358 32.007 29.700 -0.085 0.000 1.275 378 E HN 0.484 nan 8.360 nan 0.000 0.451 379 E N 0.712 121.009 120.200 0.161 0.000 2.398 379 E HA -0.013 4.337 4.350 -0.000 0.000 0.263 379 E C -0.116 176.671 176.600 0.311 0.000 1.046 379 E CA 0.274 56.789 56.400 0.192 0.000 0.908 379 E CB 0.430 30.208 29.700 0.130 0.000 0.963 379 E HN 0.434 nan 8.360 nan 0.000 0.431 380 F N 3.506 123.567 119.950 0.185 0.000 2.163 380 F HA 0.163 4.690 4.527 -0.000 0.000 0.297 380 F C 0.952 176.780 175.800 0.046 0.000 1.094 380 F CA 0.976 59.077 58.000 0.169 0.000 1.290 380 F CB -0.268 38.791 39.000 0.098 0.000 1.017 380 F HN 0.550 nan 8.300 nan 0.000 0.483 381 A N 2.384 125.335 122.820 0.218 0.000 2.600 381 A HA -0.083 4.237 4.320 -0.000 0.000 0.253 381 A C 0.360 177.869 177.584 -0.125 0.000 0.997 381 A CA 0.078 52.161 52.037 0.078 0.000 0.820 381 A CB -0.467 18.590 19.000 0.095 0.000 0.888 381 A HN 0.520 nan 8.150 nan 0.000 0.508 382 R N 1.834 122.147 120.500 -0.312 0.000 2.594 382 R HA 0.166 4.506 4.340 -0.000 0.000 0.272 382 R C 0.726 176.829 176.300 -0.329 0.000 1.074 382 R CA -0.242 55.577 56.100 -0.468 0.000 1.105 382 R CB 0.529 30.338 30.300 -0.818 0.000 1.008 382 R HN 0.900 nan 8.270 nan 0.000 0.472 383 Q N 2.185 121.870 119.800 -0.191 0.000 2.373 383 Q HA 0.003 4.343 4.340 -0.000 0.000 0.255 383 Q C -0.788 175.221 176.000 0.016 0.000 0.980 383 Q CA -0.171 55.596 55.803 -0.059 0.000 0.882 383 Q CB 0.735 29.456 28.738 -0.029 0.000 1.249 383 Q HN 0.411 nan 8.270 nan 0.000 0.438 384 N N 2.197 120.943 118.700 0.077 0.000 2.495 384 N HA 0.252 4.992 4.740 -0.000 0.000 0.280 384 N C -0.321 175.232 175.510 0.073 0.000 1.168 384 N CA -0.558 52.567 53.050 0.125 0.000 0.978 384 N CB 0.509 39.061 38.487 0.108 0.000 1.191 384 N HN 0.447 nan 8.380 nan 0.000 0.497 385 L N 0.000 121.264 121.223 0.068 0.000 2.949 385 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 385 L CA 0.000 54.866 54.840 0.043 0.000 0.813 385 L CB 0.000 42.079 42.059 0.034 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502