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 3mz3_1_B DATA FIRST_RESID 13 DATA SEQUENCE SLVPVYIYSP EYVSMCDSLA KIPKRASMVH SLIEAYALHK QMRIVKPKVA DATA SEQUENCE SMEEMATFHT DAYLQHLQKV SQXXXXXXXX XIEYGLGYDC PATEGIFDYA DATA SEQUENCE AAIGGATITA AQCLIDGMCK VAINWSGGWH HAKKDEASGF CYLNDAVLGI DATA SEQUENCE LRLRRKFERI LYVDLDLHHG DGVEDAFSFT SKVMTVSLHK FSPGFFPGTG DATA SEQUENCE DVSDVGLGKG RYYSVNVPIQ DGIQDEKYYQ ICESVLKEVY QAFNPKAVVL DATA SEQUENCE QLGADTIAGD PMCSFNMTPV GIGKCLKYIL QWQLATLILG GGGYNLANTA DATA SEQUENCE RCWTYLTGVI LGKTLSSEIP DHEFFTAYGP DYVLEITPSC RPDRNEPHRI DATA SEQUENCE QQILNYIKGN LKHVV 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.607 174.600 0.012 0.000 1.055 13 S CA 0.000 58.207 58.200 0.012 0.000 1.107 13 S CB 0.000 63.206 63.200 0.011 0.000 0.593 14 L N 1.239 122.468 121.223 0.010 0.000 2.766 14 L HA 0.453 4.793 4.340 0.001 0.000 0.242 14 L C 0.315 177.189 176.870 0.007 0.000 1.136 14 L CA 0.372 55.217 54.840 0.008 0.000 0.933 14 L CB 0.779 42.842 42.059 0.006 0.000 1.241 14 L HN 0.449 nan 8.230 nan 0.000 0.522 15 V N 2.735 122.655 119.914 0.010 0.000 2.387 15 V HA 0.329 4.449 4.120 0.001 0.000 0.260 15 V C -1.969 174.136 176.094 0.019 0.000 1.054 15 V CA -1.786 60.522 62.300 0.014 0.000 0.967 15 V CB 0.728 32.560 31.823 0.015 0.000 1.036 15 V HN 0.059 nan 8.190 nan 0.000 0.481 16 P HA -0.007 nan 4.420 nan 0.000 0.264 16 P C -0.528 176.797 177.300 0.042 0.000 1.179 16 P CA 0.340 63.449 63.100 0.015 0.000 0.763 16 P CB 0.419 32.127 31.700 0.014 0.000 0.806 17 V N 4.515 124.442 119.914 0.022 0.000 2.546 17 V HA 0.128 4.248 4.120 0.001 0.000 0.284 17 V C -0.338 175.799 176.094 0.071 0.000 1.050 17 V CA 0.024 62.351 62.300 0.046 0.000 0.981 17 V CB 0.372 32.197 31.823 0.004 0.000 0.990 17 V HN 0.401 nan 8.190 nan 0.000 0.474 18 Y N 5.429 125.731 120.300 0.004 0.000 2.345 18 Y HA 0.484 5.034 4.550 0.001 0.000 0.331 18 Y C 0.106 176.042 175.900 0.060 0.000 0.959 18 Y CA -1.126 56.991 58.100 0.028 0.000 1.204 18 Y CB 1.100 39.617 38.460 0.095 0.000 1.135 18 Y HN 0.460 nan 8.280 nan 0.000 0.477 19 I N 8.481 128.959 120.570 -0.154 0.000 2.366 19 I HA -0.042 4.128 4.170 0.001 0.000 0.302 19 I C -0.332 175.834 176.117 0.081 0.000 1.194 19 I CA 0.286 61.545 61.300 -0.067 0.000 1.667 19 I CB -1.894 36.008 38.000 -0.162 0.000 1.501 19 I HN 0.563 nan 8.210 nan 0.000 0.776 20 Y N 4.260 124.651 120.300 0.152 0.000 2.618 20 Y HA 0.684 5.234 4.550 0.001 0.000 0.326 20 Y C 0.246 176.228 175.900 0.136 0.000 1.168 20 Y CA -1.575 56.660 58.100 0.226 0.000 1.269 20 Y CB 1.726 40.436 38.460 0.417 0.000 1.388 20 Y HN 0.393 nan 8.280 nan 0.000 0.528 21 S N 2.528 117.484 115.700 -1.239 0.000 2.670 21 S HA 0.126 4.597 4.470 0.001 0.000 0.328 21 S C -2.807 171.276 174.600 -0.862 0.000 0.673 21 S CA -0.702 56.987 58.200 -0.852 0.000 0.693 21 S CB 0.082 63.104 63.200 -0.297 0.000 0.988 21 S HN 0.369 nan 8.310 nan 0.000 0.560 22 P HA -0.151 nan 4.420 nan 0.000 0.217 22 P C 1.084 178.332 177.300 -0.087 0.000 1.148 22 P CA 1.712 64.683 63.100 -0.216 0.000 0.834 22 P CB 0.133 31.818 31.700 -0.024 0.000 0.783 23 E N -1.642 118.501 120.200 -0.095 0.000 2.015 23 E HA -0.198 4.153 4.350 0.001 0.000 0.191 23 E C 1.997 178.612 176.600 0.024 0.000 0.991 23 E CA 1.190 57.577 56.400 -0.023 0.000 0.802 23 E CB -1.481 28.201 29.700 -0.030 0.000 0.759 23 E HN 0.369 nan 8.360 nan 0.000 0.447 24 Y N 1.076 121.287 120.300 -0.149 0.000 2.030 24 Y HA -0.347 4.203 4.550 0.001 0.000 0.274 24 Y C 2.262 178.123 175.900 -0.065 0.000 1.153 24 Y CA 1.518 59.542 58.100 -0.127 0.000 1.115 24 Y CB -0.354 38.011 38.460 -0.157 0.000 0.969 24 Y HN -0.116 nan 8.280 nan 0.000 0.488 25 V N -0.309 119.532 119.914 -0.121 0.000 2.278 25 V HA -0.399 3.721 4.120 0.001 0.000 0.251 25 V C 2.414 178.488 176.094 -0.033 0.000 1.062 25 V CA 2.365 64.601 62.300 -0.107 0.000 1.038 25 V CB -0.881 31.030 31.823 0.148 0.000 0.646 25 V HN 0.451 nan 8.190 nan 0.000 0.447 26 S N -1.165 114.551 115.700 0.026 0.000 2.481 26 S HA -0.127 4.344 4.470 0.001 0.000 0.231 26 S C 1.738 176.361 174.600 0.037 0.000 0.996 26 S CA 1.530 59.764 58.200 0.056 0.000 0.942 26 S CB -0.223 63.020 63.200 0.072 0.000 0.768 26 S HN 0.579 nan 8.310 nan 0.000 0.520 27 M N 0.667 120.268 119.600 0.000 0.000 2.200 27 M HA 0.025 4.505 4.480 0.001 0.000 0.265 27 M C 1.921 178.229 176.300 0.014 0.000 1.066 27 M CA 1.534 56.839 55.300 0.009 0.000 1.127 27 M CB -0.872 31.724 32.600 -0.006 0.000 1.379 27 M HN 0.289 nan 8.290 nan 0.000 0.420 28 C N 0.810 120.056 119.300 -0.090 0.000 2.466 28 C HA -0.062 4.398 4.460 0.001 0.000 0.278 28 C C 2.132 177.208 174.990 0.143 0.000 1.288 28 C CA 0.786 59.800 59.018 -0.006 0.000 1.722 28 C CB -1.308 26.330 27.740 -0.171 0.000 2.017 28 C HN 0.537 nan 8.230 nan 0.000 0.488 29 D N 1.508 121.955 120.400 0.080 0.000 2.239 29 D HA -0.128 4.512 4.640 0.001 0.000 0.202 29 D C 2.199 178.560 176.300 0.103 0.000 0.993 29 D CA 1.946 56.002 54.000 0.093 0.000 0.874 29 D CB -0.417 40.438 40.800 0.092 0.000 0.922 29 D HN 0.644 nan 8.370 nan 0.000 0.464 30 S N -0.387 115.387 115.700 0.123 0.000 2.603 30 S HA -0.063 4.408 4.470 0.001 0.000 0.229 30 S C 0.950 175.595 174.600 0.074 0.000 0.972 30 S CA -0.279 57.982 58.200 0.101 0.000 0.935 30 S CB -0.403 62.862 63.200 0.107 0.000 0.769 30 S HN 0.292 nan 8.310 nan 0.000 0.536 31 L N 1.794 123.094 121.223 0.127 0.000 2.369 31 L HA 0.407 4.748 4.340 0.001 0.000 0.279 31 L C 1.496 178.341 176.870 -0.042 0.000 1.108 31 L CA -0.151 54.684 54.840 -0.009 0.000 0.852 31 L CB 0.402 42.540 42.059 0.132 0.000 1.169 31 L HN 0.304 nan 8.230 nan 0.000 0.452 32 A N 5.849 128.602 122.820 -0.112 0.000 1.882 32 A HA -0.262 4.059 4.320 0.001 0.000 0.220 32 A C 2.074 179.596 177.584 -0.104 0.000 1.253 32 A CA 1.961 53.938 52.037 -0.101 0.000 0.664 32 A CB -0.426 18.498 19.000 -0.127 0.000 0.838 32 A HN 0.834 nan 8.150 nan 0.000 0.460 33 K N -0.114 120.169 120.400 -0.195 0.000 2.127 33 K HA -0.152 4.168 4.320 0.001 0.000 0.208 33 K C 1.151 177.750 176.600 -0.001 0.000 1.047 33 K CA 1.644 57.808 56.287 -0.205 0.000 0.927 33 K CB -0.713 31.481 32.500 -0.510 0.000 0.716 33 K HN 0.877 nan 8.250 nan 0.000 0.450 34 I N -0.628 119.972 120.570 0.050 0.000 2.954 34 I HA 0.252 4.422 4.170 0.001 0.000 0.312 34 I C -2.637 173.512 176.117 0.053 0.000 1.391 34 I CA -2.256 59.096 61.300 0.087 0.000 0.906 34 I CB 1.175 39.266 38.000 0.151 0.000 2.079 34 I HN -0.271 nan 8.210 nan 0.000 0.618 35 P HA -0.067 nan 4.420 nan 0.000 0.258 35 P C 0.088 177.384 177.300 -0.008 0.000 1.172 35 P CA 0.453 63.563 63.100 0.016 0.000 0.762 35 P CB 0.847 32.551 31.700 0.008 0.000 0.764 36 K N 1.176 121.585 120.400 0.015 0.000 3.193 36 K HA -0.236 4.085 4.320 0.001 0.000 0.294 36 K C 1.513 178.050 176.600 -0.104 0.000 1.185 36 K CA 1.161 57.438 56.287 -0.017 0.000 0.866 36 K CB -1.351 31.130 32.500 -0.032 0.000 1.227 36 K HN 0.436 nan 8.250 nan 0.000 0.467 37 R N 0.002 120.474 120.500 -0.048 0.000 2.073 37 R HA -0.092 4.249 4.340 0.001 0.000 0.234 37 R C 2.091 178.393 176.300 0.003 0.000 1.134 37 R CA 1.637 57.700 56.100 -0.062 0.000 0.952 37 R CB -0.249 30.044 30.300 -0.011 0.000 0.850 37 R HN 0.354 nan 8.270 nan 0.000 0.433 38 A N 0.210 123.070 122.820 0.066 0.000 1.917 38 A HA -0.197 4.124 4.320 0.001 0.000 0.219 38 A C 2.203 179.880 177.584 0.156 0.000 1.182 38 A CA 2.156 54.257 52.037 0.107 0.000 0.633 38 A CB -0.610 18.411 19.000 0.035 0.000 0.819 38 A HN 0.438 nan 8.150 nan 0.000 0.448 39 S N -0.264 115.518 115.700 0.136 0.000 2.348 39 S HA -0.164 4.307 4.470 0.001 0.000 0.221 39 S C 2.040 176.782 174.600 0.238 0.000 1.033 39 S CA 1.787 60.145 58.200 0.265 0.000 1.010 39 S CB -0.462 62.942 63.200 0.339 0.000 0.891 39 S HN 0.595 nan 8.310 nan 0.000 0.442 40 M N 0.830 120.349 119.600 -0.135 0.000 2.149 40 M HA -0.108 4.372 4.480 0.001 0.000 0.261 40 M C 2.159 178.527 176.300 0.113 0.000 1.064 40 M CA 1.166 56.379 55.300 -0.145 0.000 1.102 40 M CB -0.820 31.555 32.600 -0.375 0.000 1.369 40 M HN 0.157 nan 8.290 nan 0.000 0.408 41 V N -0.361 119.610 119.914 0.094 0.000 2.270 41 V HA -0.278 3.843 4.120 0.001 0.000 0.245 41 V C 2.350 178.557 176.094 0.187 0.000 1.043 41 V CA 2.390 64.767 62.300 0.129 0.000 1.014 41 V CB -0.862 31.078 31.823 0.195 0.000 0.645 41 V HN 0.470 nan 8.190 nan 0.000 0.447 42 H N 1.475 120.637 119.070 0.153 0.000 2.256 42 H HA -0.164 4.392 4.556 0.001 0.000 0.299 42 H C 2.547 177.891 175.328 0.026 0.000 1.071 42 H CA 2.371 58.494 56.048 0.124 0.000 1.280 42 H CB -0.654 29.176 29.762 0.114 0.000 1.370 42 H HN 0.477 nan 8.280 nan 0.000 0.490 43 S N 0.125 115.764 115.700 -0.102 0.000 2.389 43 S HA -0.251 4.220 4.470 0.001 0.000 0.231 43 S C 2.268 176.728 174.600 -0.233 0.000 1.052 43 S CA 1.736 59.856 58.200 -0.132 0.000 1.053 43 S CB -0.959 62.437 63.200 0.327 0.000 0.886 43 S HN 0.417 nan 8.310 nan 0.000 0.456 44 L N 1.243 122.354 121.223 -0.188 0.000 2.072 44 L HA 0.266 4.606 4.340 0.001 0.000 0.205 44 L C 2.343 179.182 176.870 -0.052 0.000 1.079 44 L CA 1.382 56.050 54.840 -0.287 0.000 0.752 44 L CB -0.475 41.496 42.059 -0.146 0.000 0.906 44 L HN 0.354 nan 8.230 nan 0.000 0.436 45 I N -0.229 120.313 120.570 -0.047 0.000 2.361 45 I HA -0.281 3.889 4.170 0.001 0.000 0.251 45 I C 2.480 178.542 176.117 -0.092 0.000 1.133 45 I CA 1.752 63.053 61.300 0.003 0.000 1.413 45 I CB -0.298 37.788 38.000 0.144 0.000 1.073 45 I HN 0.510 nan 8.210 nan 0.000 0.424 46 E N 1.727 121.714 120.200 -0.356 0.000 2.086 46 E HA -0.122 4.228 4.350 0.001 0.000 0.190 46 E C 2.035 178.497 176.600 -0.230 0.000 0.975 46 E CA 0.935 56.972 56.400 -0.606 0.000 0.813 46 E CB -0.055 29.006 29.700 -1.065 0.000 0.768 46 E HN 0.375 nan 8.360 nan 0.000 0.457 47 A N -0.327 122.373 122.820 -0.199 0.000 2.264 47 A HA -0.046 4.274 4.320 0.001 0.000 0.207 47 A C 0.629 178.110 177.584 -0.171 0.000 1.196 47 A CA 0.373 52.315 52.037 -0.158 0.000 0.778 47 A CB -0.486 18.387 19.000 -0.212 0.000 0.779 47 A HN 0.463 nan 8.150 nan 0.000 0.483 48 Y N -2.032 118.205 120.300 -0.104 0.000 2.500 48 Y HA 0.390 4.941 4.550 0.001 0.000 0.246 48 Y C 1.454 177.351 175.900 -0.005 0.000 1.146 48 Y CA 0.014 58.083 58.100 -0.053 0.000 1.230 48 Y CB 0.439 38.866 38.460 -0.055 0.000 1.214 48 Y HN 0.470 nan 8.280 nan 0.000 0.526 49 A N 0.012 122.924 122.820 0.152 0.000 2.816 49 A HA -0.274 4.047 4.320 0.001 0.000 0.270 49 A C 1.199 178.895 177.584 0.187 0.000 1.413 49 A CA 1.331 53.475 52.037 0.178 0.000 0.866 49 A CB -2.128 16.911 19.000 0.065 0.000 1.032 49 A HN 0.536 nan 8.150 nan 0.000 0.642 50 L N -0.499 120.852 121.223 0.214 0.000 2.291 50 L HA -0.106 4.235 4.340 0.001 0.000 0.214 50 L C 2.494 179.439 176.870 0.124 0.000 1.120 50 L CA 1.199 56.121 54.840 0.136 0.000 0.799 50 L CB -0.494 41.627 42.059 0.103 0.000 0.925 50 L HN 0.874 nan 8.230 nan 0.000 0.446 51 H N -1.401 117.575 119.070 -0.158 0.000 2.555 51 H HA 0.028 4.584 4.556 0.001 0.000 0.269 51 H C 1.421 176.674 175.328 -0.125 0.000 0.988 51 H CA 0.217 56.114 56.048 -0.252 0.000 1.178 51 H CB -0.308 29.210 29.762 -0.406 0.000 1.373 51 H HN 0.129 nan 8.280 nan 0.000 0.588 52 K N 0.867 121.103 120.400 -0.273 0.000 2.439 52 K HA -0.006 4.314 4.320 0.001 0.000 0.197 52 K C 0.797 177.333 176.600 -0.106 0.000 1.041 52 K CA 0.475 56.608 56.287 -0.257 0.000 0.970 52 K CB 0.256 32.631 32.500 -0.209 0.000 0.773 52 K HN 0.626 nan 8.250 nan 0.000 0.479 53 Q N -0.417 119.354 119.800 -0.048 0.000 2.157 53 Q HA 0.344 4.684 4.340 0.001 0.000 0.229 53 Q C -0.179 175.826 176.000 0.008 0.000 0.827 53 Q CA -0.105 55.689 55.803 -0.015 0.000 1.055 53 Q CB 0.706 29.444 28.738 0.001 0.000 1.157 53 Q HN 0.063 nan 8.270 nan 0.000 0.482 54 M N 0.653 120.258 119.600 0.009 0.000 2.446 54 M HA 0.369 4.850 4.480 0.001 0.000 0.294 54 M C -0.695 175.641 176.300 0.059 0.000 1.158 54 M CA -0.672 54.660 55.300 0.053 0.000 0.899 54 M CB 2.992 35.660 32.600 0.112 0.000 1.687 54 M HN -0.022 nan 8.290 nan 0.000 0.455 55 R N 3.155 123.700 120.500 0.075 0.000 2.609 55 R HA 0.337 4.678 4.340 0.001 0.000 0.271 55 R C -0.730 175.643 176.300 0.122 0.000 1.403 55 R CA -0.089 56.055 56.100 0.073 0.000 1.138 55 R CB -0.442 29.889 30.300 0.051 0.000 1.142 55 R HN 0.643 nan 8.270 nan 0.000 0.559 56 I N 4.017 124.672 120.570 0.142 0.000 2.775 56 I HA -0.066 4.105 4.170 0.001 0.000 0.290 56 I C -0.195 176.016 176.117 0.157 0.000 1.203 56 I CA 0.357 61.790 61.300 0.222 0.000 1.433 56 I CB 0.889 39.025 38.000 0.227 0.000 1.354 56 I HN 0.286 nan 8.210 nan 0.000 0.579 57 V N 6.408 126.418 119.914 0.159 0.000 2.612 57 V HA 0.219 4.339 4.120 0.001 0.000 0.301 57 V C -0.081 176.031 176.094 0.030 0.000 1.059 57 V CA -1.055 61.286 62.300 0.069 0.000 0.886 57 V CB 1.688 33.529 31.823 0.030 0.000 1.007 57 V HN 0.609 nan 8.190 nan 0.000 0.426 58 K N 6.400 126.797 120.400 -0.005 0.000 2.412 58 K HA 0.304 4.624 4.320 0.001 0.000 0.281 58 K C -2.246 174.283 176.600 -0.119 0.000 1.027 58 K CA -1.036 55.211 56.287 -0.067 0.000 0.989 58 K CB 0.821 33.284 32.500 -0.061 0.000 0.935 58 K HN 0.463 nan 8.250 nan 0.000 0.475 59 P HA 0.117 nan 4.420 nan 0.000 0.288 59 P C -1.537 175.620 177.300 -0.239 0.000 1.267 59 P CA -0.552 62.377 63.100 -0.285 0.000 0.815 59 P CB 1.130 32.495 31.700 -0.558 0.000 0.989 60 K N 1.556 121.850 120.400 -0.177 0.000 2.098 60 K HA 0.441 4.762 4.320 0.001 0.000 0.257 60 K C -0.520 175.997 176.600 -0.139 0.000 0.999 60 K CA -0.925 55.284 56.287 -0.130 0.000 0.924 60 K CB 0.608 33.058 32.500 -0.084 0.000 1.028 60 K HN 0.098 nan 8.250 nan 0.000 0.466 61 V N 1.609 121.457 119.914 -0.109 0.000 2.649 61 V HA 0.283 4.403 4.120 0.001 0.000 0.292 61 V C 0.267 176.317 176.094 -0.074 0.000 1.055 61 V CA -0.472 61.765 62.300 -0.106 0.000 1.023 61 V CB 1.050 32.811 31.823 -0.104 0.000 0.992 61 V HN 0.967 nan 8.190 nan 0.000 0.480 62 A N 4.203 126.987 122.820 -0.061 0.000 2.440 62 A HA 0.515 4.836 4.320 0.001 0.000 0.251 62 A C 0.653 178.234 177.584 -0.005 0.000 1.089 62 A CA -0.026 52.003 52.037 -0.013 0.000 0.779 62 A CB 0.117 19.133 19.000 0.028 0.000 1.022 62 A HN 1.088 nan 8.150 nan 0.000 0.492 63 S N 2.428 118.141 115.700 0.022 0.000 2.601 63 S HA 0.295 4.766 4.470 0.001 0.000 0.271 63 S C 0.910 175.557 174.600 0.077 0.000 1.305 63 S CA -0.030 58.191 58.200 0.036 0.000 1.022 63 S CB 0.645 63.864 63.200 0.033 0.000 0.940 63 S HN 0.767 nan 8.310 nan 0.000 0.525 64 M N 1.497 121.152 119.600 0.093 0.000 2.346 64 M HA -0.094 4.386 4.480 0.001 0.000 0.263 64 M C 1.819 178.179 176.300 0.101 0.000 1.064 64 M CA 1.519 56.895 55.300 0.128 0.000 1.083 64 M CB -0.632 32.040 32.600 0.119 0.000 1.399 64 M HN 0.857 nan 8.290 nan 0.000 0.435 65 E N -1.292 118.955 120.200 0.079 0.000 2.340 65 E HA -0.084 4.267 4.350 0.001 0.000 0.194 65 E C 1.453 178.103 176.600 0.083 0.000 0.996 65 E CA 0.717 57.160 56.400 0.071 0.000 0.869 65 E CB -0.578 29.153 29.700 0.052 0.000 0.835 65 E HN 0.631 nan 8.360 nan 0.000 0.493 66 E N 0.741 120.994 120.200 0.088 0.000 2.112 66 E HA 0.024 4.375 4.350 0.001 0.000 0.190 66 E C 2.166 178.852 176.600 0.143 0.000 0.979 66 E CA 0.881 57.340 56.400 0.097 0.000 0.814 66 E CB -0.058 29.688 29.700 0.077 0.000 0.762 66 E HN 0.247 nan 8.360 nan 0.000 0.460 67 M N 0.296 120.000 119.600 0.173 0.000 2.200 67 M HA -0.001 4.480 4.480 0.001 0.000 0.265 67 M C 2.337 178.790 176.300 0.256 0.000 1.066 67 M CA 0.862 56.322 55.300 0.267 0.000 1.127 67 M CB -0.085 32.682 32.600 0.279 0.000 1.379 67 M HN 0.024 nan 8.290 nan 0.000 0.420 68 A N 0.090 123.012 122.820 0.169 0.000 2.259 68 A HA -0.086 4.234 4.320 0.001 0.000 0.212 68 A C 1.972 179.618 177.584 0.103 0.000 1.178 68 A CA 1.429 53.539 52.037 0.122 0.000 0.734 68 A CB -1.039 18.010 19.000 0.082 0.000 0.774 68 A HN 0.455 nan 8.150 nan 0.000 0.481 69 T N -1.864 112.770 114.554 0.134 0.000 2.985 69 T HA 0.040 4.391 4.350 0.001 0.000 0.266 69 T C 1.237 176.027 174.700 0.150 0.000 1.076 69 T CA 1.511 63.686 62.100 0.126 0.000 1.135 69 T CB -0.179 68.771 68.868 0.137 0.000 0.890 69 T HN 0.640 nan 8.240 nan 0.000 0.480 70 F N 0.093 120.026 119.950 -0.029 0.000 2.658 70 F HA 0.331 4.859 4.527 0.001 0.000 0.293 70 F C 0.478 176.160 175.800 -0.197 0.000 0.986 70 F CA -0.485 57.416 58.000 -0.166 0.000 1.182 70 F CB 0.533 39.365 39.000 -0.280 0.000 0.965 70 F HN 0.021 nan 8.300 nan 0.000 0.659 71 H N 1.785 120.789 119.070 -0.110 0.000 2.525 71 H HA 0.270 4.826 4.556 0.001 0.000 0.339 71 H C 0.448 175.740 175.328 -0.060 0.000 1.109 71 H CA 0.434 56.403 56.048 -0.132 0.000 1.352 71 H CB 1.112 30.981 29.762 0.179 0.000 1.461 71 H HN 0.138 nan 8.280 nan 0.000 0.533 72 T N -0.315 114.279 114.554 0.067 0.000 2.900 72 T HA -0.024 4.326 4.350 0.001 0.000 0.307 72 T C 0.994 175.742 174.700 0.080 0.000 1.065 72 T CA -0.607 61.523 62.100 0.050 0.000 1.105 72 T CB 0.799 69.699 68.868 0.054 0.000 0.979 72 T HN 0.460 nan 8.240 nan 0.000 0.544 73 D N 1.435 121.856 120.400 0.036 0.000 2.234 73 D HA -0.005 4.636 4.640 0.001 0.000 0.205 73 D C 2.328 178.617 176.300 -0.018 0.000 0.962 73 D CA 1.195 55.195 54.000 0.001 0.000 0.855 73 D CB -0.357 40.443 40.800 0.001 0.000 0.951 73 D HN 0.778 nan 8.370 nan 0.000 0.500 74 A N 0.617 123.457 122.820 0.034 0.000 1.940 74 A HA -0.236 4.084 4.320 0.001 0.000 0.219 74 A C 2.080 179.653 177.584 -0.019 0.000 1.176 74 A CA 1.214 53.290 52.037 0.066 0.000 0.631 74 A CB -0.704 18.389 19.000 0.155 0.000 0.814 74 A HN 0.306 nan 8.150 nan 0.000 0.446 75 Y N 0.115 120.298 120.300 -0.196 0.000 2.177 75 Y HA 0.043 4.593 4.550 0.001 0.000 0.291 75 Y C 1.919 177.589 175.900 -0.384 0.000 1.117 75 Y CA 1.248 59.058 58.100 -0.484 0.000 1.114 75 Y CB -0.645 37.672 38.460 -0.238 0.000 1.017 75 Y HN 0.161 nan 8.280 nan 0.000 0.505 76 L N 0.313 121.270 121.223 -0.443 0.000 2.137 76 L HA -0.308 4.032 4.340 0.001 0.000 0.213 76 L C 2.490 179.024 176.870 -0.560 0.000 1.085 76 L CA 1.764 56.293 54.840 -0.517 0.000 0.760 76 L CB -0.613 41.332 42.059 -0.191 0.000 0.893 76 L HN 0.292 nan 8.230 nan 0.000 0.434 77 Q N -0.446 119.130 119.800 -0.374 0.000 1.993 77 Q HA -0.257 4.084 4.340 0.001 0.000 0.202 77 Q C 2.170 177.965 176.000 -0.341 0.000 0.984 77 Q CA 2.031 57.653 55.803 -0.301 0.000 0.837 77 Q CB -0.295 28.345 28.738 -0.163 0.000 0.902 77 Q HN 0.520 nan 8.270 nan 0.000 0.423 78 H N -0.815 117.988 119.070 -0.444 0.000 2.387 78 H HA -0.108 4.449 4.556 0.001 0.000 0.299 78 H C 1.872 176.952 175.328 -0.413 0.000 1.099 78 H CA 1.467 57.285 56.048 -0.384 0.000 1.315 78 H CB -0.045 29.411 29.762 -0.509 0.000 1.380 78 H HN 0.235 nan 8.280 nan 0.000 0.513 79 L N 0.155 121.117 121.223 -0.434 0.000 2.046 79 L HA -0.228 4.113 4.340 0.001 0.000 0.208 79 L C 2.655 179.217 176.870 -0.513 0.000 1.077 79 L CA 1.776 56.342 54.840 -0.457 0.000 0.747 79 L CB -0.398 41.242 42.059 -0.697 0.000 0.896 79 L HN 0.507 nan 8.230 nan 0.000 0.432 80 Q N -0.204 119.071 119.800 -0.874 0.000 1.990 80 Q HA -0.208 4.133 4.340 0.001 0.000 0.200 80 Q C 1.388 177.235 176.000 -0.255 0.000 0.980 80 Q CA 1.258 56.608 55.803 -0.755 0.000 0.832 80 Q CB 0.162 28.435 28.738 -0.775 0.000 0.897 80 Q HN 0.014 nan 8.270 nan 0.000 0.427 81 K N 0.607 120.855 120.400 -0.252 0.000 2.836 81 K HA 0.033 4.354 4.320 0.001 0.000 0.236 81 K C 0.306 176.812 176.600 -0.157 0.000 1.015 81 K CA 0.134 56.318 56.287 -0.171 0.000 1.194 81 K CB 0.091 32.480 32.500 -0.185 0.000 1.002 81 K HN 0.175 nan 8.250 nan 0.000 0.479 82 V N -0.459 119.392 119.914 -0.105 0.000 3.380 82 V HA 0.030 4.150 4.120 0.001 0.000 0.277 82 V C 0.163 176.258 176.094 0.000 0.000 1.590 82 V CA 0.388 62.665 62.300 -0.039 0.000 1.019 82 V CB 0.545 32.401 31.823 0.054 0.000 0.828 82 V HN 0.303 nan 8.190 nan 0.000 0.427 83 S N 1.740 117.444 115.700 0.007 0.000 3.548 83 S HA 0.445 4.915 4.470 0.001 0.000 0.195 83 S C 0.176 174.796 174.600 0.033 0.000 1.432 83 S CA -0.609 57.612 58.200 0.036 0.000 1.087 83 S CB 0.073 63.334 63.200 0.102 0.000 1.337 83 S HN 0.460 nan 8.310 nan 0.000 0.505 95 E N 0.549 120.657 120.200 -0.154 0.000 2.474 95 E HA 0.017 4.368 4.350 0.001 0.000 0.194 95 E C 0.696 176.979 176.600 -0.527 0.000 1.041 95 E CA 0.686 56.884 56.400 -0.336 0.000 0.874 95 E CB 0.423 29.867 29.700 -0.426 0.000 0.914 95 E HN 0.472 nan 8.360 nan 0.000 0.498 96 Y N -0.865 119.341 120.300 -0.155 0.000 2.584 96 Y HA 0.310 4.860 4.550 0.001 0.000 0.254 96 Y C 1.210 177.015 175.900 -0.159 0.000 1.177 96 Y CA 0.334 58.329 58.100 -0.175 0.000 1.216 96 Y CB 1.354 39.718 38.460 -0.160 0.000 1.172 96 Y HN 0.133 nan 8.280 nan 0.000 0.529 97 G N 0.663 109.438 108.800 -0.041 0.000 2.136 97 G HA2 -0.278 3.682 3.960 0.001 0.000 0.242 97 G HA3 -0.278 3.682 3.960 0.001 0.000 0.242 97 G C 0.044 174.919 174.900 -0.042 0.000 0.989 97 G CA -0.035 45.026 45.100 -0.066 0.000 0.682 97 G HN 0.301 nan 8.290 nan 0.000 0.522 98 L N 1.356 122.590 121.223 0.018 0.000 2.423 98 L HA 0.548 4.889 4.340 0.001 0.000 0.249 98 L C 1.391 178.300 176.870 0.066 0.000 1.276 98 L CA 0.267 55.147 54.840 0.066 0.000 1.199 98 L CB -0.228 41.901 42.059 0.117 0.000 1.407 98 L HN 0.314 nan 8.230 nan 0.000 0.410 99 G N -0.474 108.351 108.800 0.042 0.000 3.364 99 G HA2 -0.019 3.942 3.960 0.001 0.000 0.191 99 G HA3 -0.019 3.942 3.960 0.001 0.000 0.191 99 G C 0.115 175.088 174.900 0.121 0.000 1.352 99 G CA -0.050 45.093 45.100 0.070 0.000 0.758 99 G HN 0.209 nan 8.290 nan 0.000 0.730 100 Y N 1.067 121.355 120.300 -0.019 0.000 2.337 100 Y HA 0.061 4.612 4.550 0.001 0.000 0.293 100 Y C 2.181 178.085 175.900 0.007 0.000 1.123 100 Y CA 1.729 59.822 58.100 -0.012 0.000 1.201 100 Y CB -0.268 38.172 38.460 -0.032 0.000 1.011 100 Y HN 0.379 nan 8.280 nan 0.000 0.545 101 D N -0.408 119.859 120.400 -0.222 0.000 2.084 101 D HA -0.108 4.532 4.640 0.001 0.000 0.196 101 D C -0.047 176.198 176.300 -0.092 0.000 0.985 101 D CA 1.495 55.280 54.000 -0.358 0.000 0.826 101 D CB -0.126 40.422 40.800 -0.419 0.000 0.978 101 D HN 0.199 nan 8.370 nan 0.000 0.456 102 C N 1.966 121.205 119.300 -0.101 0.000 3.003 102 C HA 0.455 4.915 4.460 0.001 0.000 0.241 102 C C -2.487 172.594 174.990 0.152 0.000 1.224 102 C CA -1.460 57.501 59.018 -0.095 0.000 1.560 102 C CB 0.487 27.858 27.740 -0.614 0.000 1.768 102 C HN 0.219 nan 8.230 nan 0.000 0.440 103 P HA 0.051 nan 4.420 nan 0.000 0.265 103 P C 0.235 177.656 177.300 0.201 0.000 1.187 103 P CA 0.590 63.787 63.100 0.163 0.000 0.766 103 P CB 0.624 32.387 31.700 0.105 0.000 0.820 104 A N 2.514 125.424 122.820 0.150 0.000 2.728 104 A HA 0.158 4.479 4.320 0.001 0.000 0.258 104 A C 0.549 178.155 177.584 0.038 0.000 1.454 104 A CA -0.117 51.995 52.037 0.125 0.000 1.146 104 A CB -1.436 17.653 19.000 0.149 0.000 0.985 104 A HN 0.565 nan 8.150 nan 0.000 0.603 105 T N -0.079 114.469 114.554 -0.011 0.000 2.934 105 T HA 0.249 4.599 4.350 0.001 0.000 0.306 105 T C 0.259 174.925 174.700 -0.056 0.000 1.042 105 T CA -0.093 61.982 62.100 -0.041 0.000 1.145 105 T CB 0.027 68.851 68.868 -0.073 0.000 0.982 105 T HN 0.736 nan 8.240 nan 0.000 0.544 106 E N 1.848 122.033 120.200 -0.026 0.000 2.652 106 E HA 0.257 4.607 4.350 0.001 0.000 0.255 106 E C 1.286 177.875 176.600 -0.018 0.000 0.952 106 E CA -0.030 56.363 56.400 -0.013 0.000 0.947 106 E CB -0.722 28.977 29.700 -0.002 0.000 0.912 106 E HN 1.142 nan 8.360 nan 0.000 0.489 107 G N 3.571 112.374 108.800 0.006 0.000 2.195 107 G HA2 -0.375 3.585 3.960 0.001 0.000 0.246 107 G HA3 -0.375 3.585 3.960 0.001 0.000 0.246 107 G C 0.715 175.618 174.900 0.006 0.000 0.984 107 G CA 0.256 45.369 45.100 0.022 0.000 0.633 107 G HN 0.893 nan 8.290 nan 0.000 0.525 108 I N -2.386 118.126 120.570 -0.096 0.000 2.502 108 I HA -0.019 4.151 4.170 0.001 0.000 0.258 108 I C 2.206 178.306 176.117 -0.028 0.000 1.172 108 I CA 1.842 62.978 61.300 -0.274 0.000 1.430 108 I CB -0.495 37.124 38.000 -0.635 0.000 1.086 108 I HN 0.141 nan 8.210 nan 0.000 0.440 109 F N 3.269 123.163 119.950 -0.094 0.000 2.128 109 F HA -0.121 4.406 4.527 0.001 0.000 0.295 109 F C 1.983 177.796 175.800 0.022 0.000 1.100 109 F CA 1.564 59.538 58.000 -0.043 0.000 1.260 109 F CB -0.647 38.314 39.000 -0.064 0.000 1.009 109 F HN 0.062 nan 8.300 nan 0.000 0.476 110 D N -0.844 119.449 120.400 -0.178 0.000 2.182 110 D HA -0.249 4.392 4.640 0.001 0.000 0.201 110 D C 2.004 178.233 176.300 -0.117 0.000 0.986 110 D CA 1.547 55.387 54.000 -0.267 0.000 0.847 110 D CB -0.894 39.846 40.800 -0.100 0.000 0.942 110 D HN 0.466 nan 8.370 nan 0.000 0.467 111 Y N 1.472 121.698 120.300 -0.123 0.000 2.220 111 Y HA -0.001 4.550 4.550 0.001 0.000 0.291 111 Y C 2.230 178.128 175.900 -0.003 0.000 1.129 111 Y CA 1.239 59.310 58.100 -0.049 0.000 1.161 111 Y CB -0.500 37.918 38.460 -0.070 0.000 0.997 111 Y HN -0.055 nan 8.280 nan 0.000 0.522 112 A N 1.194 124.213 122.820 0.332 0.000 1.851 112 A HA -0.166 4.154 4.320 0.001 0.000 0.216 112 A C 2.496 180.150 177.584 0.116 0.000 1.195 112 A CA 2.495 54.715 52.037 0.305 0.000 0.622 112 A CB -1.703 17.483 19.000 0.310 0.000 0.831 112 A HN 0.654 nan 8.150 nan 0.000 0.444 113 A N -0.359 122.432 122.820 -0.048 0.000 1.986 113 A HA 0.083 4.403 4.320 0.001 0.000 0.220 113 A C 2.465 180.007 177.584 -0.069 0.000 1.171 113 A CA 2.370 54.357 52.037 -0.083 0.000 0.640 113 A CB -1.068 17.777 19.000 -0.259 0.000 0.811 113 A HN 1.150 nan 8.150 nan 0.000 0.451 114 A N 0.324 123.088 122.820 -0.093 0.000 1.841 114 A HA -0.149 4.172 4.320 0.001 0.000 0.216 114 A C 2.112 179.681 177.584 -0.024 0.000 1.199 114 A CA 1.704 53.694 52.037 -0.079 0.000 0.621 114 A CB -0.723 18.227 19.000 -0.083 0.000 0.835 114 A HN 0.504 nan 8.150 nan 0.000 0.445 115 I N -0.420 120.171 120.570 0.036 0.000 2.315 115 I HA -0.170 4.000 4.170 0.001 0.000 0.248 115 I C 2.644 178.827 176.117 0.111 0.000 1.117 115 I CA 1.013 62.409 61.300 0.159 0.000 1.404 115 I CB -0.893 37.234 38.000 0.212 0.000 1.071 115 I HN 0.442 nan 8.210 nan 0.000 0.419 116 G N 1.013 109.883 108.800 0.118 0.000 2.484 116 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 116 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 116 G C 1.729 176.653 174.900 0.041 0.000 1.219 116 G CA 0.790 45.964 45.100 0.122 0.000 0.791 116 G HN 0.456 nan 8.290 nan 0.000 0.550 117 G N 0.920 109.718 108.800 -0.003 0.000 2.462 117 G HA2 0.054 4.015 3.960 0.001 0.000 0.220 117 G HA3 0.054 4.015 3.960 0.001 0.000 0.220 117 G C 1.941 176.773 174.900 -0.113 0.000 1.121 117 G CA 1.502 46.573 45.100 -0.049 0.000 0.758 117 G HN 0.692 nan 8.290 nan 0.000 0.559 118 A N 0.068 122.785 122.820 -0.171 0.000 1.969 118 A HA 0.056 4.377 4.320 0.001 0.000 0.218 118 A C 2.495 179.975 177.584 -0.173 0.000 1.169 118 A CA 2.240 54.097 52.037 -0.299 0.000 0.635 118 A CB -0.514 18.177 19.000 -0.516 0.000 0.810 118 A HN 0.282 nan 8.150 nan 0.000 0.445 119 T N 0.003 114.506 114.554 -0.085 0.000 2.937 119 T HA 0.058 4.408 4.350 0.001 0.000 0.260 119 T C 1.781 176.446 174.700 -0.057 0.000 1.051 119 T CA 1.100 63.159 62.100 -0.068 0.000 1.141 119 T CB -0.297 68.556 68.868 -0.025 0.000 0.879 119 T HN 0.404 nan 8.240 nan 0.000 0.459 120 I N 1.406 121.956 120.570 -0.033 0.000 2.226 120 I HA -0.195 3.975 4.170 0.001 0.000 0.245 120 I C 2.688 178.784 176.117 -0.034 0.000 1.100 120 I CA 1.108 62.398 61.300 -0.016 0.000 1.374 120 I CB -0.739 37.265 38.000 0.006 0.000 1.057 120 I HN 0.237 nan 8.210 nan 0.000 0.413 121 T N 0.853 115.369 114.554 -0.063 0.000 2.684 121 T HA -0.207 4.143 4.350 0.001 0.000 0.267 121 T C 1.992 176.652 174.700 -0.067 0.000 1.036 121 T CA 1.689 63.745 62.100 -0.072 0.000 1.148 121 T CB -0.301 68.497 68.868 -0.116 0.000 0.863 121 T HN 0.511 nan 8.240 nan 0.000 0.436 122 A N 0.982 123.749 122.820 -0.088 0.000 2.015 122 A HA 0.292 4.613 4.320 0.001 0.000 0.219 122 A C 2.568 180.112 177.584 -0.066 0.000 1.163 122 A CA 1.559 53.541 52.037 -0.090 0.000 0.646 122 A CB -0.833 18.087 19.000 -0.133 0.000 0.806 122 A HN 0.501 nan 8.150 nan 0.000 0.448 123 A N -0.816 121.973 122.820 -0.051 0.000 1.877 123 A HA -0.178 4.143 4.320 0.001 0.000 0.216 123 A C 2.141 179.728 177.584 0.006 0.000 1.186 123 A CA 2.018 54.038 52.037 -0.029 0.000 0.620 123 A CB -0.508 18.484 19.000 -0.013 0.000 0.822 123 A HN 0.481 nan 8.150 nan 0.000 0.443 124 Q N -0.143 119.661 119.800 0.007 0.000 2.002 124 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 124 Q C 2.001 178.016 176.000 0.025 0.000 0.988 124 Q CA 2.315 58.131 55.803 0.023 0.000 0.843 124 Q CB -1.020 27.723 28.738 0.008 0.000 0.908 124 Q HN 0.683 nan 8.270 nan 0.000 0.420 125 C N 0.295 119.598 119.300 0.005 0.000 2.402 125 C HA -0.069 4.391 4.460 0.001 0.000 0.301 125 C C 2.178 177.180 174.990 0.020 0.000 1.455 125 C CA 0.091 59.113 59.018 0.007 0.000 1.787 125 C CB -1.346 26.388 27.740 -0.010 0.000 1.726 125 C HN 0.433 nan 8.230 nan 0.000 0.565 126 L N 0.981 122.223 121.223 0.031 0.000 2.316 126 L HA 0.271 4.611 4.340 0.001 0.000 0.207 126 L C 2.011 178.969 176.870 0.148 0.000 1.070 126 L CA 1.482 56.356 54.840 0.056 0.000 0.820 126 L CB -0.607 41.456 42.059 0.007 0.000 0.992 126 L HN 0.445 nan 8.230 nan 0.000 0.466 127 I N -4.385 116.283 120.570 0.164 0.000 3.810 127 I HA 0.177 4.347 4.170 0.001 0.000 0.322 127 I C 0.071 176.240 176.117 0.085 0.000 1.288 127 I CA 0.310 61.728 61.300 0.197 0.000 1.143 127 I CB -0.238 37.897 38.000 0.226 0.000 1.012 127 I HN -0.010 nan 8.210 nan 0.000 0.423 128 D N 1.482 121.920 120.400 0.064 0.000 2.440 128 D HA 0.265 4.906 4.640 0.001 0.000 0.216 128 D C 1.739 178.057 176.300 0.030 0.000 1.150 128 D CA 0.805 54.826 54.000 0.035 0.000 0.832 128 D CB 0.875 41.690 40.800 0.026 0.000 0.992 128 D HN 0.458 nan 8.370 nan 0.000 0.502 129 G N 1.336 110.161 108.800 0.043 0.000 2.205 129 G HA2 -0.460 3.501 3.960 0.001 0.000 0.269 129 G HA3 -0.460 3.501 3.960 0.001 0.000 0.269 129 G C 1.196 176.114 174.900 0.029 0.000 0.977 129 G CA 0.861 45.982 45.100 0.036 0.000 0.652 129 G HN 0.440 nan 8.290 nan 0.000 0.539 130 M N 0.226 119.842 119.600 0.027 0.000 2.617 130 M HA 0.140 4.620 4.480 0.001 0.000 0.258 130 M C 1.130 177.441 176.300 0.019 0.000 1.067 130 M CA 1.873 57.185 55.300 0.020 0.000 1.057 130 M CB -0.416 32.194 32.600 0.017 0.000 1.397 130 M HN 1.187 nan 8.290 nan 0.000 0.499 131 C N -4.228 115.086 119.300 0.023 0.000 2.849 131 C HA 0.257 4.718 4.460 0.001 0.000 0.321 131 C C 0.148 175.152 174.990 0.024 0.000 1.245 131 C CA -1.267 57.762 59.018 0.018 0.000 1.176 131 C CB 0.854 28.599 27.740 0.008 0.000 1.317 131 C HN 0.276 nan 8.230 nan 0.000 0.479 132 K N 0.085 120.495 120.400 0.016 0.000 2.367 132 K HA 0.606 4.926 4.320 0.001 0.000 0.194 132 K C -0.215 176.380 176.600 -0.009 0.000 1.027 132 K CA 0.499 56.799 56.287 0.021 0.000 1.075 132 K CB 0.469 32.983 32.500 0.023 0.000 0.845 132 K HN 0.699 nan 8.250 nan 0.000 0.529 133 V N 0.720 120.617 119.914 -0.029 0.000 2.655 133 V HA 0.597 4.718 4.120 0.001 0.000 0.301 133 V C -1.347 174.697 176.094 -0.084 0.000 1.082 133 V CA -1.137 61.122 62.300 -0.069 0.000 0.899 133 V CB 1.646 33.423 31.823 -0.077 0.000 1.014 133 V HN 0.077 nan 8.190 nan 0.000 0.429 134 A N 6.158 128.904 122.820 -0.123 0.000 2.337 134 A HA 0.971 5.291 4.320 0.001 0.000 0.329 134 A C -0.886 176.545 177.584 -0.255 0.000 1.146 134 A CA -0.550 51.400 52.037 -0.145 0.000 0.800 134 A CB 1.060 19.988 19.000 -0.120 0.000 1.220 134 A HN 0.751 nan 8.150 nan 0.000 0.472 135 I N 1.695 122.073 120.570 -0.319 0.000 2.509 135 I HA 0.405 4.576 4.170 0.001 0.000 0.293 135 I C -0.573 175.202 176.117 -0.570 0.000 1.020 135 I CA -0.648 60.311 61.300 -0.568 0.000 1.088 135 I CB 2.378 39.964 38.000 -0.690 0.000 1.267 135 I HN 0.690 nan 8.210 nan 0.000 0.430 136 N N 4.702 123.016 118.700 -0.643 0.000 2.751 136 N HA 0.191 4.932 4.740 0.001 0.000 0.238 136 N C -0.276 174.986 175.510 -0.413 0.000 1.351 136 N CA -0.599 52.206 53.050 -0.408 0.000 0.751 136 N CB 0.424 38.775 38.487 -0.228 0.000 1.342 136 N HN 0.586 nan 8.380 nan 0.000 0.540 137 W N 1.368 122.428 121.300 -0.400 0.000 2.392 137 W HA -0.030 4.631 4.660 0.001 0.000 0.279 137 W C 1.700 177.904 176.519 -0.526 0.000 1.225 137 W CA 0.267 57.225 57.345 -0.646 0.000 1.233 137 W CB 0.256 29.324 29.460 -0.653 0.000 1.122 137 W HN 0.397 nan 8.180 nan 0.000 0.561 138 S N -0.352 115.312 115.700 -0.059 0.000 2.555 138 S HA 0.090 4.561 4.470 0.001 0.000 0.230 138 S C 0.994 175.517 174.600 -0.128 0.000 0.978 138 S CA 0.549 58.709 58.200 -0.067 0.000 0.934 138 S CB -0.461 62.644 63.200 -0.158 0.000 0.766 138 S HN 0.216 nan 8.310 nan 0.000 0.533 139 G N -1.018 107.666 108.800 -0.194 0.000 2.491 139 G HA2 0.544 4.504 3.960 0.001 0.000 0.327 139 G HA3 0.544 4.504 3.960 0.001 0.000 0.327 139 G C 0.510 175.142 174.900 -0.447 0.000 1.189 139 G CA -0.162 44.783 45.100 -0.258 0.000 0.956 139 G HN 0.377 nan 8.290 nan 0.000 0.491 140 G N -2.022 106.522 108.800 -0.426 0.000 2.902 140 G HA2 -0.163 3.797 3.960 0.001 0.000 0.215 140 G HA3 -0.163 3.797 3.960 0.001 0.000 0.215 140 G C 0.164 174.853 174.900 -0.352 0.000 0.976 140 G CA -0.695 44.166 45.100 -0.398 0.000 0.794 140 G HN 0.577 nan 8.290 nan 0.000 0.557 141 W N 3.228 124.564 121.300 0.059 0.000 2.879 141 W HA 0.345 5.005 4.660 0.000 0.000 0.388 141 W C 1.675 178.278 176.519 0.140 0.000 1.315 141 W CA 0.364 57.786 57.345 0.128 0.000 1.400 141 W CB -0.319 29.289 29.460 0.248 0.000 1.537 141 W HN 0.564 nan 8.180 nan 0.000 0.554 142 H N -0.934 118.256 119.070 0.200 0.000 2.622 142 H HA 0.077 4.633 4.556 0.001 0.000 0.269 142 H C 1.292 176.572 175.328 -0.080 0.000 0.977 142 H CA -0.183 55.859 56.048 -0.009 0.000 1.179 142 H CB 0.190 29.918 29.762 -0.055 0.000 1.458 142 H HN 0.474 nan 8.280 nan 0.000 0.531 143 H N 1.563 120.898 119.070 0.440 0.000 2.535 143 H HA 0.271 4.828 4.556 0.001 0.000 0.273 143 H C 1.052 176.462 175.328 0.137 0.000 0.983 143 H CA 0.510 56.657 56.048 0.165 0.000 1.238 143 H CB 0.045 29.937 29.762 0.216 0.000 1.412 143 H HN 0.431 nan 8.280 nan 0.000 0.562 144 A N 2.328 125.336 122.820 0.314 0.000 2.548 144 A HA 0.098 4.418 4.320 0.001 0.000 0.247 144 A C 0.448 178.235 177.584 0.337 0.000 1.067 144 A CA 0.174 52.396 52.037 0.309 0.000 0.757 144 A CB 0.099 19.361 19.000 0.437 0.000 0.996 144 A HN 0.267 nan 8.150 nan 0.000 0.504 145 K N 1.587 122.129 120.400 0.235 0.000 2.106 145 K HA 0.222 4.542 4.320 0.001 0.000 0.246 145 K C 1.184 177.834 176.600 0.085 0.000 0.987 145 K CA -0.465 55.932 56.287 0.184 0.000 0.904 145 K CB 1.446 33.955 32.500 0.015 0.000 1.071 145 K HN 0.773 nan 8.250 nan 0.000 0.453 146 K N 1.087 121.328 120.400 -0.264 0.000 2.144 146 K HA -0.237 4.084 4.320 0.001 0.000 0.209 146 K C 0.025 176.439 176.600 -0.311 0.000 1.047 146 K CA 2.562 58.313 56.287 -0.894 0.000 0.927 146 K CB -0.047 32.027 32.500 -0.710 0.000 0.716 146 K HN 0.746 nan 8.250 nan 0.000 0.454 147 D N -0.832 119.420 120.400 -0.247 0.000 3.007 147 D HA 0.161 4.801 4.640 0.001 0.000 0.363 147 D C -1.148 174.824 176.300 -0.546 0.000 1.474 147 D CA -0.496 53.324 54.000 -0.301 0.000 0.767 147 D CB 0.130 40.914 40.800 -0.026 0.000 1.227 147 D HN 0.395 nan 8.370 nan 0.000 0.471 148 E N 0.416 120.172 120.200 -0.739 0.000 2.406 148 E HA 0.514 4.864 4.350 0.001 0.000 0.297 148 E C -1.435 174.960 176.600 -0.342 0.000 0.917 148 E CA -0.750 55.353 56.400 -0.495 0.000 0.795 148 E CB 1.598 31.171 29.700 -0.212 0.000 1.285 148 E HN 0.172 nan 8.360 nan 0.000 0.400 149 A N 2.943 125.618 122.820 -0.240 0.000 2.450 149 A HA 0.512 4.832 4.320 0.001 0.000 0.255 149 A C -0.186 177.295 177.584 -0.171 0.000 1.096 149 A CA 0.218 52.168 52.037 -0.145 0.000 0.778 149 A CB 1.020 19.919 19.000 -0.168 0.000 1.031 149 A HN 0.357 nan 8.150 nan 0.000 0.494 150 S N 1.145 116.761 115.700 -0.140 0.000 2.536 150 S HA 0.567 5.037 4.470 0.001 0.000 0.271 150 S C 0.372 174.896 174.600 -0.127 0.000 1.134 150 S CA 0.360 58.494 58.200 -0.109 0.000 0.897 150 S CB 1.057 64.264 63.200 0.012 0.000 1.094 150 S HN 2.518 nan 8.310 nan 0.000 0.473 151 G N 3.092 111.661 108.800 -0.386 0.000 2.412 151 G HA2 -0.236 3.724 3.960 0.001 0.000 0.297 151 G HA3 -0.236 3.724 3.960 0.001 0.000 0.297 151 G C 0.391 174.959 174.900 -0.553 0.000 0.965 151 G CA 0.689 45.312 45.100 -0.795 0.000 1.134 151 G HN 1.321 nan 8.290 nan 0.000 0.511 152 F N -4.039 115.677 119.950 -0.389 0.000 2.794 152 F HA -0.243 4.284 4.527 0.000 0.000 0.335 152 F C 1.386 176.808 175.800 -0.630 0.000 0.653 152 F CA -0.210 57.498 58.000 -0.486 0.000 1.266 152 F CB -2.230 36.520 39.000 -0.417 0.000 1.666 152 F HN 0.574 nan 8.300 nan 0.000 0.314 153 C N 0.667 119.817 119.300 -0.250 0.000 2.281 153 C HA 0.561 5.021 4.460 0.001 0.000 0.325 153 C C 1.482 176.379 174.990 -0.154 0.000 1.282 153 C CA -0.395 58.566 59.018 -0.094 0.000 1.640 153 C CB -0.056 27.865 27.740 0.302 0.000 2.288 153 C HN 0.324 nan 8.230 nan 0.000 0.507 154 Y N 1.376 121.720 120.300 0.074 0.000 2.481 154 Y HA 0.456 5.006 4.550 0.001 0.000 0.258 154 Y C 0.454 176.478 175.900 0.205 0.000 1.103 154 Y CA -0.065 58.124 58.100 0.150 0.000 1.287 154 Y CB 0.108 38.616 38.460 0.080 0.000 1.108 154 Y HN 0.528 nan 8.280 nan 0.000 0.529 155 L N -0.239 121.232 121.223 0.413 0.000 2.424 155 L HA 0.433 4.773 4.340 0.001 0.000 0.258 155 L C -0.904 176.315 176.870 0.582 0.000 0.995 155 L CA -0.597 54.499 54.840 0.426 0.000 0.821 155 L CB 1.863 44.149 42.059 0.378 0.000 1.383 155 L HN -0.148 nan 8.230 nan 0.000 0.410 156 N N 2.165 121.303 118.700 0.730 0.000 3.194 156 N HA 0.062 4.802 4.740 0.001 0.000 0.271 156 N C 0.324 175.968 175.510 0.224 0.000 1.308 156 N CA 0.041 53.316 53.050 0.375 0.000 1.042 156 N CB 0.411 38.962 38.487 0.108 0.000 1.310 156 N HN 0.808 nan 8.380 nan 0.000 0.502 157 D N 0.742 121.305 120.400 0.272 0.000 2.239 157 D HA -0.238 4.402 4.640 0.001 0.000 0.202 157 D C 1.227 177.566 176.300 0.065 0.000 0.993 157 D CA 0.928 55.029 54.000 0.168 0.000 0.874 157 D CB 0.097 40.996 40.800 0.164 0.000 0.922 157 D HN 0.363 nan 8.370 nan 0.000 0.464 158 A N 0.988 123.827 122.820 0.032 0.000 1.873 158 A HA -0.027 4.294 4.320 0.001 0.000 0.215 158 A C 2.726 180.254 177.584 -0.093 0.000 1.186 158 A CA 1.477 53.493 52.037 -0.035 0.000 0.616 158 A CB -0.753 18.202 19.000 -0.075 0.000 0.823 158 A HN 0.199 nan 8.150 nan 0.000 0.442 159 V N 0.454 120.265 119.914 -0.172 0.000 2.295 159 V HA -0.261 3.859 4.120 0.001 0.000 0.246 159 V C 2.559 178.619 176.094 -0.056 0.000 1.049 159 V CA 1.914 64.094 62.300 -0.200 0.000 1.024 159 V CB -0.896 30.405 31.823 -0.871 0.000 0.648 159 V HN 0.564 nan 8.190 nan 0.000 0.447 160 L N 0.453 121.657 121.223 -0.032 0.000 2.129 160 L HA -0.154 4.186 4.340 0.001 0.000 0.212 160 L C 2.548 179.449 176.870 0.052 0.000 1.087 160 L CA 1.794 56.671 54.840 0.062 0.000 0.757 160 L CB -1.107 41.021 42.059 0.115 0.000 0.896 160 L HN 0.507 nan 8.230 nan 0.000 0.434 161 G N 0.138 108.952 108.800 0.024 0.000 2.396 161 G HA2 -0.125 3.835 3.960 0.001 0.000 0.214 161 G HA3 -0.125 3.835 3.960 0.001 0.000 0.214 161 G C 1.572 176.473 174.900 0.002 0.000 1.166 161 G CA 0.314 45.417 45.100 0.006 0.000 0.793 161 G HN 0.275 nan 8.290 nan 0.000 0.533 162 I N 0.647 121.214 120.570 -0.005 0.000 2.286 162 I HA -0.118 4.052 4.170 0.001 0.000 0.248 162 I C 2.504 178.643 176.117 0.037 0.000 1.115 162 I CA 0.688 61.963 61.300 -0.043 0.000 1.392 162 I CB -0.190 37.705 38.000 -0.175 0.000 1.065 162 I HN 0.094 nan 8.210 nan 0.000 0.418 163 L N 0.297 121.593 121.223 0.121 0.000 2.362 163 L HA -0.143 4.197 4.340 0.001 0.000 0.219 163 L C 2.582 179.516 176.870 0.107 0.000 1.134 163 L CA 0.700 55.630 54.840 0.150 0.000 0.807 163 L CB -0.425 41.731 42.059 0.161 0.000 0.927 163 L HN 0.221 nan 8.230 nan 0.000 0.447 164 R N 0.561 121.108 120.500 0.079 0.000 2.173 164 R HA 0.016 4.356 4.340 0.001 0.000 0.208 164 R C 1.952 178.309 176.300 0.094 0.000 1.035 164 R CA 1.045 57.190 56.100 0.075 0.000 1.004 164 R CB -0.285 30.047 30.300 0.052 0.000 0.917 164 R HN 0.245 nan 8.270 nan 0.000 0.462 165 L N 0.008 121.277 121.223 0.076 0.000 2.240 165 L HA 0.046 4.387 4.340 0.001 0.000 0.211 165 L C 1.873 178.877 176.870 0.224 0.000 1.106 165 L CA 0.522 55.431 54.840 0.115 0.000 0.793 165 L CB -0.308 41.702 42.059 -0.081 0.000 0.927 165 L HN 0.060 nan 8.230 nan 0.000 0.446 166 R N 0.655 121.243 120.500 0.146 0.000 2.377 166 R HA -0.078 4.262 4.340 0.001 0.000 0.207 166 R C 1.992 178.378 176.300 0.143 0.000 1.075 166 R CA 0.684 56.875 56.100 0.152 0.000 1.035 166 R CB -0.329 30.049 30.300 0.131 0.000 0.857 166 R HN 0.458 nan 8.270 nan 0.000 0.475 167 R N -0.805 119.782 120.500 0.144 0.000 2.112 167 R HA 0.009 4.349 4.340 0.001 0.000 0.216 167 R C 1.661 178.005 176.300 0.074 0.000 1.080 167 R CA 0.810 56.969 56.100 0.099 0.000 0.996 167 R CB 0.119 30.470 30.300 0.085 0.000 0.902 167 R HN -0.122 nan 8.270 nan 0.000 0.449 168 K N -0.828 119.641 120.400 0.116 0.000 2.370 168 K HA 0.188 4.509 4.320 0.001 0.000 0.194 168 K C -0.576 175.860 176.600 -0.274 0.000 1.070 168 K CA 0.343 56.581 56.287 -0.082 0.000 0.998 168 K CB 0.618 33.035 32.500 -0.137 0.000 0.911 168 K HN -0.154 nan 8.250 nan 0.000 0.533 169 F N 0.367 120.328 119.950 0.018 0.000 2.507 169 F HA 0.365 4.892 4.527 0.001 0.000 0.327 169 F C 1.115 176.926 175.800 0.018 0.000 1.068 169 F CA -0.863 57.148 58.000 0.017 0.000 0.965 169 F CB 1.669 40.685 39.000 0.026 0.000 1.192 169 F HN -0.187 nan 8.300 nan 0.000 0.476 170 E N 0.825 121.130 120.200 0.176 0.000 2.431 170 E HA 0.156 4.506 4.350 0.001 0.000 0.200 170 E C -0.045 176.613 176.600 0.098 0.000 0.995 170 E CA 0.387 56.846 56.400 0.098 0.000 0.915 170 E CB 0.509 30.226 29.700 0.029 0.000 0.930 170 E HN 0.510 nan 8.360 nan 0.000 0.496 171 R N 0.607 121.181 120.500 0.124 0.000 2.569 171 R HA 0.367 4.707 4.340 0.001 0.000 0.293 171 R C -1.106 175.350 176.300 0.261 0.000 1.186 171 R CA -0.480 55.701 56.100 0.135 0.000 0.956 171 R CB 1.156 31.256 30.300 -0.333 0.000 1.196 171 R HN -0.124 nan 8.270 nan 0.000 0.444 172 I N 3.395 124.126 120.570 0.268 0.000 2.359 172 I HA 0.286 4.457 4.170 0.001 0.000 0.294 172 I C -0.501 175.723 176.117 0.178 0.000 0.987 172 I CA -0.728 60.651 61.300 0.131 0.000 1.225 172 I CB 1.481 39.453 38.000 -0.048 0.000 1.366 172 I HN 0.363 nan 8.210 nan 0.000 0.466 173 L N 7.769 129.092 121.223 0.167 0.000 2.280 173 L HA 0.451 4.792 4.340 0.001 0.000 0.287 173 L C -1.322 175.602 176.870 0.090 0.000 1.023 173 L CA -0.375 54.529 54.840 0.107 0.000 0.819 173 L CB 0.612 42.793 42.059 0.204 0.000 1.212 173 L HN 0.502 nan 8.230 nan 0.000 0.420 174 Y N 5.080 125.339 120.300 -0.068 0.000 2.326 174 Y HA 0.639 5.189 4.550 0.001 0.000 0.337 174 Y C -0.999 174.912 175.900 0.018 0.000 1.023 174 Y CA -0.643 57.430 58.100 -0.044 0.000 1.143 174 Y CB 1.395 39.807 38.460 -0.080 0.000 1.183 174 Y HN 0.368 nan 8.280 nan 0.000 0.485 175 V N 6.973 126.583 119.914 -0.506 0.000 2.349 175 V HA 0.174 4.294 4.120 0.001 0.000 0.284 175 V C -0.779 175.030 176.094 -0.476 0.000 1.014 175 V CA -0.924 61.180 62.300 -0.327 0.000 0.826 175 V CB 1.278 33.047 31.823 -0.090 0.000 1.009 175 V HN 0.717 nan 8.190 nan 0.000 0.431 176 D N 4.753 124.932 120.400 -0.368 0.000 2.380 176 D HA 0.326 4.966 4.640 0.001 0.000 0.230 176 D C 0.402 176.775 176.300 0.121 0.000 1.154 176 D CA -0.110 53.809 54.000 -0.134 0.000 0.859 176 D CB 1.635 42.494 40.800 0.099 0.000 1.045 176 D HN 0.454 nan 8.370 nan 0.000 0.495 177 L N 3.058 124.367 121.223 0.143 0.000 2.769 177 L HA 0.189 4.529 4.340 0.001 0.000 0.240 177 L C 0.792 177.828 176.870 0.277 0.000 1.163 177 L CA -0.343 54.653 54.840 0.261 0.000 0.962 177 L CB 0.220 42.420 42.059 0.234 0.000 1.258 177 L HN 0.298 nan 8.230 nan 0.000 0.513 178 D N -0.177 120.388 120.400 0.275 0.000 2.368 178 D HA -0.022 4.618 4.640 0.001 0.000 0.240 178 D C 1.107 177.571 176.300 0.273 0.000 1.169 178 D CA -0.193 53.981 54.000 0.289 0.000 0.906 178 D CB 1.162 42.193 40.800 0.385 0.000 1.187 178 D HN -0.068 nan 8.370 nan 0.000 0.435 179 L N 1.953 123.260 121.223 0.141 0.000 2.265 179 L HA 0.024 4.364 4.340 0.001 0.000 0.215 179 L C -0.093 176.728 176.870 -0.082 0.000 1.117 179 L CA 1.663 56.399 54.840 -0.174 0.000 0.782 179 L CB -0.602 41.251 42.059 -0.344 0.000 0.914 179 L HN 0.447 nan 8.230 nan 0.000 0.441 180 H N -1.546 117.758 119.070 0.390 0.000 2.502 180 H HA 0.277 4.833 4.556 0.001 0.000 0.338 180 H C -0.384 175.088 175.328 0.240 0.000 1.155 180 H CA -0.619 55.648 56.048 0.365 0.000 1.237 180 H CB 0.485 30.495 29.762 0.414 0.000 1.534 180 H HN 0.103 nan 8.280 nan 0.000 0.523 181 H N 1.488 120.547 119.070 -0.019 0.000 3.107 181 H HA -0.006 4.551 4.556 0.001 0.000 0.301 181 H C 0.388 175.500 175.328 -0.360 0.000 0.981 181 H CA -0.260 55.511 56.048 -0.461 0.000 1.443 181 H CB 0.400 29.742 29.762 -0.699 0.000 1.479 181 H HN 0.949 nan 8.280 nan 0.000 0.564 182 G N 5.406 113.894 108.800 -0.520 0.000 3.008 182 G HA2 -0.106 3.854 3.960 0.001 0.000 0.272 182 G HA3 -0.106 3.854 3.960 0.001 0.000 0.272 182 G C 0.924 175.378 174.900 -0.743 0.000 0.764 182 G CA -0.100 44.641 45.100 -0.598 0.000 2.029 182 G HN 0.833 nan 8.290 nan 0.000 0.587 183 D N 1.790 121.661 120.400 -0.882 0.000 2.077 183 D HA -0.131 4.509 4.640 0.001 0.000 0.196 183 D C 2.387 178.541 176.300 -0.243 0.000 0.986 183 D CA 1.161 54.808 54.000 -0.588 0.000 0.829 183 D CB -1.025 39.607 40.800 -0.280 0.000 0.983 183 D HN 0.271 nan 8.370 nan 0.000 0.453 184 G N 0.890 109.602 108.800 -0.147 0.000 2.606 184 G HA2 -0.305 3.656 3.960 0.001 0.000 0.221 184 G HA3 -0.305 3.656 3.960 0.001 0.000 0.221 184 G C 1.908 176.735 174.900 -0.121 0.000 1.152 184 G CA 2.260 47.334 45.100 -0.044 0.000 0.765 184 G HN 0.338 nan 8.290 nan 0.000 0.595 185 V N 0.652 120.453 119.914 -0.188 0.000 2.453 185 V HA -0.107 4.013 4.120 0.001 0.000 0.247 185 V C 2.492 178.546 176.094 -0.066 0.000 1.048 185 V CA 2.145 64.297 62.300 -0.246 0.000 1.049 185 V CB -0.439 31.030 31.823 -0.591 0.000 0.672 185 V HN 0.630 nan 8.190 nan 0.000 0.457 186 E N 0.741 120.901 120.200 -0.068 0.000 2.038 186 E HA -0.289 4.062 4.350 0.001 0.000 0.195 186 E C 1.819 178.459 176.600 0.066 0.000 1.000 186 E CA 1.923 58.346 56.400 0.038 0.000 0.803 186 E CB -0.138 29.562 29.700 0.001 0.000 0.750 186 E HN 0.632 nan 8.360 nan 0.000 0.448 187 D N 0.464 120.875 120.400 0.019 0.000 2.144 187 D HA -0.142 4.498 4.640 0.001 0.000 0.199 187 D C 1.887 178.200 176.300 0.021 0.000 0.984 187 D CA 1.236 55.269 54.000 0.055 0.000 0.834 187 D CB -0.473 40.360 40.800 0.056 0.000 0.955 187 D HN 0.343 nan 8.370 nan 0.000 0.465 188 A N -0.058 122.692 122.820 -0.117 0.000 2.032 188 A HA -0.155 4.166 4.320 0.001 0.000 0.221 188 A C 1.214 178.345 177.584 -0.754 0.000 1.165 188 A CA 1.137 52.912 52.037 -0.436 0.000 0.645 188 A CB -0.559 17.909 19.000 -0.886 0.000 0.807 188 A HN 0.279 nan 8.150 nan 0.000 0.453 189 F N -1.358 118.615 119.950 0.040 0.000 2.817 189 F HA 0.128 4.655 4.527 0.001 0.000 0.319 189 F C 1.875 177.719 175.800 0.073 0.000 1.136 189 F CA 0.280 58.316 58.000 0.060 0.000 1.177 189 F CB -0.023 38.985 39.000 0.014 0.000 1.088 189 F HN 0.163 nan 8.300 nan 0.000 0.520 190 S N -0.562 115.252 115.700 0.190 0.000 2.442 190 S HA -0.161 4.309 4.470 0.001 0.000 0.236 190 S C 1.349 175.901 174.600 -0.080 0.000 1.007 190 S CA 1.123 59.353 58.200 0.049 0.000 0.965 190 S CB -0.716 62.464 63.200 -0.033 0.000 0.773 190 S HN 0.353 nan 8.310 nan 0.000 0.504 191 F N 1.608 121.591 119.950 0.055 0.000 2.693 191 F HA 0.384 4.911 4.527 0.001 0.000 0.303 191 F C 1.264 177.079 175.800 0.025 0.000 1.097 191 F CA -0.042 57.977 58.000 0.031 0.000 1.330 191 F CB 0.436 39.446 39.000 0.016 0.000 1.067 191 F HN 0.176 nan 8.300 nan 0.000 0.565 192 T N -1.361 113.296 114.554 0.171 0.000 2.912 192 T HA 0.319 4.669 4.350 0.001 0.000 0.288 192 T C 0.902 175.561 174.700 -0.067 0.000 1.030 192 T CA -0.279 61.879 62.100 0.097 0.000 1.020 192 T CB 1.382 70.373 68.868 0.206 0.000 1.056 192 T HN 0.048 nan 8.240 nan 0.000 0.480 193 S N 2.091 117.657 115.700 -0.224 0.000 2.539 193 S HA 0.212 4.683 4.470 0.001 0.000 0.221 193 S C 1.284 175.902 174.600 0.029 0.000 0.987 193 S CA -0.486 57.331 58.200 -0.639 0.000 0.929 193 S CB 0.081 62.742 63.200 -0.899 0.000 0.832 193 S HN 0.544 nan 8.310 nan 0.000 0.492 194 K N 1.333 121.804 120.400 0.118 0.000 2.305 194 K HA 0.327 4.647 4.320 0.001 0.000 0.199 194 K C 0.074 176.851 176.600 0.295 0.000 1.047 194 K CA 0.277 56.694 56.287 0.217 0.000 0.976 194 K CB -0.015 32.569 32.500 0.140 0.000 0.765 194 K HN 0.328 nan 8.250 nan 0.000 0.474 195 V N 2.173 122.186 119.914 0.164 0.000 2.482 195 V HA 0.330 4.451 4.120 0.001 0.000 0.295 195 V C -0.862 175.180 176.094 -0.087 0.000 1.026 195 V CA -0.648 61.619 62.300 -0.055 0.000 0.856 195 V CB 1.874 33.347 31.823 -0.584 0.000 1.001 195 V HN 0.117 nan 8.190 nan 0.000 0.424 196 M N 5.524 124.942 119.600 -0.304 0.000 2.129 196 M HA 0.511 4.991 4.480 0.001 0.000 0.348 196 M C 0.007 176.209 176.300 -0.162 0.000 1.116 196 M CA -0.249 54.835 55.300 -0.359 0.000 1.022 196 M CB 1.461 33.468 32.600 -0.987 0.000 1.599 196 M HN 0.763 nan 8.290 nan 0.000 0.449 197 T N 2.814 117.369 114.554 0.002 0.000 2.743 197 T HA 0.583 4.933 4.350 0.001 0.000 0.292 197 T C -0.462 174.315 174.700 0.128 0.000 0.972 197 T CA -0.773 61.414 62.100 0.145 0.000 0.967 197 T CB 0.682 69.689 68.868 0.232 0.000 0.926 197 T HN 0.425 nan 8.240 nan 0.000 0.459 198 V N 3.388 123.367 119.914 0.109 0.000 2.472 198 V HA 0.739 4.859 4.120 0.001 0.000 0.290 198 V C 0.236 176.413 176.094 0.138 0.000 1.037 198 V CA -0.682 61.676 62.300 0.098 0.000 0.908 198 V CB 1.644 33.505 31.823 0.064 0.000 0.985 198 V HN 1.046 nan 8.190 nan 0.000 0.454 199 S N 4.984 120.814 115.700 0.217 0.000 2.776 199 S HA 0.648 5.118 4.470 0.001 0.000 0.284 199 S C -1.311 173.529 174.600 0.401 0.000 1.160 199 S CA -0.489 57.918 58.200 0.346 0.000 1.051 199 S CB 0.729 64.213 63.200 0.473 0.000 1.037 199 S HN 0.446 nan 8.310 nan 0.000 0.485 200 L N 7.689 129.086 121.223 0.290 0.000 2.264 200 L HA 0.636 4.976 4.340 0.001 0.000 0.289 200 L C 0.165 177.239 176.870 0.340 0.000 1.044 200 L CA 0.045 54.976 54.840 0.152 0.000 0.807 200 L CB 0.819 42.927 42.059 0.081 0.000 1.192 200 L HN 0.750 nan 8.230 nan 0.000 0.425 201 H N 1.735 121.015 119.070 0.351 0.000 3.112 201 H HA 0.255 4.811 4.556 0.001 0.000 0.347 201 H C -1.003 174.569 175.328 0.407 0.000 1.188 201 H CA -1.132 55.133 56.048 0.362 0.000 1.240 201 H CB 1.112 31.062 29.762 0.314 0.000 1.920 201 H HN 0.477 nan 8.280 nan 0.000 0.535 202 K N 2.171 122.787 120.400 0.360 0.000 2.472 202 K HA 0.116 4.436 4.320 0.001 0.000 0.280 202 K C -1.415 175.400 176.600 0.357 0.000 1.028 202 K CA -0.024 56.437 56.287 0.290 0.000 1.045 202 K CB 0.219 32.590 32.500 -0.215 0.000 0.902 202 K HN 0.373 nan 8.250 nan 0.000 0.478 203 F N 3.694 123.735 119.950 0.152 0.000 2.493 203 F HA 0.458 4.986 4.527 0.000 0.000 0.329 203 F C -0.753 175.104 175.800 0.095 0.000 1.126 203 F CA -0.228 57.883 58.000 0.185 0.000 0.937 203 F CB 1.783 40.849 39.000 0.110 0.000 1.146 203 F HN 0.604 nan 8.300 nan 0.000 0.442 204 S N 5.865 121.673 115.700 0.179 0.000 2.578 204 S HA 0.633 5.103 4.470 0.001 0.000 0.272 204 S C -3.215 171.440 174.600 0.091 0.000 1.145 204 S CA -1.061 57.271 58.200 0.220 0.000 0.835 204 S CB 1.718 64.979 63.200 0.103 0.000 1.104 204 S HN 0.338 nan 8.310 nan 0.000 0.458 205 P HA 0.469 nan 4.420 nan 0.000 0.281 205 P C 0.666 178.019 177.300 0.088 0.000 1.252 205 P CA 0.955 64.105 63.100 0.082 0.000 0.778 205 P CB 0.828 32.589 31.700 0.101 0.000 0.895 206 G N 2.343 111.181 108.800 0.063 0.000 2.195 206 G HA2 -0.261 3.700 3.960 0.001 0.000 0.246 206 G HA3 -0.261 3.700 3.960 0.001 0.000 0.246 206 G C -0.150 174.830 174.900 0.133 0.000 0.984 206 G CA -0.466 44.682 45.100 0.080 0.000 0.633 206 G HN 0.515 nan 8.290 nan 0.000 0.525 207 F N 2.234 122.177 119.950 -0.011 0.000 2.385 207 F HA 0.707 5.234 4.527 0.000 0.000 0.360 207 F C 0.445 176.260 175.800 0.025 0.000 1.122 207 F CA -2.135 55.886 58.000 0.034 0.000 1.090 207 F CB 0.345 39.364 39.000 0.031 0.000 1.150 207 F HN 0.170 nan 8.300 nan 0.000 0.472 208 F N 9.412 129.015 119.950 -0.580 0.000 2.642 208 F HA 0.152 4.679 4.527 0.001 0.000 0.371 208 F C -1.400 174.185 175.800 -0.358 0.000 1.120 208 F CA -1.099 56.601 58.000 -0.500 0.000 1.331 208 F CB 0.722 39.361 39.000 -0.602 0.000 1.044 208 F HN 0.431 nan 8.300 nan 0.000 0.594 209 P HA 0.162 nan 4.420 nan 0.000 0.257 209 P C 0.831 177.811 177.300 -0.532 0.000 1.281 209 P CA 1.130 63.403 63.100 -1.379 0.000 0.826 209 P CB 0.385 31.231 31.700 -1.423 0.000 1.237 210 G N 0.213 108.762 108.800 -0.418 0.000 2.267 210 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 210 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 210 G C 0.549 175.159 174.900 -0.485 0.000 0.998 210 G CA 0.822 45.680 45.100 -0.403 0.000 0.620 210 G HN 0.615 nan 8.290 nan 0.000 0.529 211 T N -2.145 112.215 114.554 -0.325 0.000 2.833 211 T HA 0.596 4.947 4.350 0.001 0.000 0.292 211 T C 1.434 175.917 174.700 -0.361 0.000 1.031 211 T CA 0.658 62.642 62.100 -0.194 0.000 0.937 211 T CB 1.332 70.184 68.868 -0.026 0.000 1.256 211 T HN 2.216 nan 8.240 nan 0.000 0.551 212 G N 0.853 109.396 108.800 -0.429 0.000 2.417 212 G HA2 -0.086 3.874 3.960 0.001 0.000 0.291 212 G HA3 -0.086 3.874 3.960 0.001 0.000 0.291 212 G C -0.528 174.483 174.900 0.185 0.000 1.094 212 G CA -0.001 44.653 45.100 -0.744 0.000 1.146 212 G HN 1.016 nan 8.290 nan 0.000 0.519 213 D N -0.526 119.967 120.400 0.155 0.000 2.217 213 D HA 0.474 5.114 4.640 0.001 0.000 0.248 213 D C 1.535 177.681 176.300 -0.257 0.000 1.008 213 D CA -0.098 53.750 54.000 -0.253 0.000 0.914 213 D CB 1.852 42.362 40.800 -0.484 0.000 1.182 213 D HN 0.307 nan 8.370 nan 0.000 0.451 214 V N 2.970 122.659 119.914 -0.375 0.000 2.428 214 V HA -0.293 3.828 4.120 0.001 0.000 0.255 214 V C 2.015 177.776 176.094 -0.555 0.000 1.080 214 V CA 3.260 65.304 62.300 -0.427 0.000 1.083 214 V CB -0.544 30.970 31.823 -0.516 0.000 0.665 214 V HN 0.694 nan 8.190 nan 0.000 0.461 215 S N -0.472 114.944 115.700 -0.474 0.000 2.356 215 S HA -0.169 4.301 4.470 0.001 0.000 0.223 215 S C 1.146 175.629 174.600 -0.195 0.000 1.032 215 S CA 0.842 58.837 58.200 -0.342 0.000 1.005 215 S CB -0.654 62.462 63.200 -0.140 0.000 0.867 215 S HN 0.746 nan 8.310 nan 0.000 0.449 216 D N 2.144 122.454 120.400 -0.149 0.000 2.502 216 D HA 0.072 4.712 4.640 0.001 0.000 0.249 216 D C 0.539 176.783 176.300 -0.094 0.000 1.188 216 D CA 0.746 54.691 54.000 -0.092 0.000 0.890 216 D CB 0.771 41.540 40.800 -0.052 0.000 1.140 216 D HN 0.409 nan 8.370 nan 0.000 0.505 217 V N 1.164 121.007 119.914 -0.117 0.000 3.355 217 V HA 0.582 4.702 4.120 0.001 0.000 0.330 217 V C 0.719 176.729 176.094 -0.139 0.000 1.479 217 V CA 0.262 62.487 62.300 -0.126 0.000 1.150 217 V CB -0.106 31.587 31.823 -0.218 0.000 1.044 217 V HN 0.854 nan 8.190 nan 0.000 0.501 218 G N 1.225 109.941 108.800 -0.140 0.000 2.728 218 G HA2 0.087 4.047 3.960 0.001 0.000 0.294 218 G HA3 0.087 4.047 3.960 0.001 0.000 0.294 218 G C -1.067 173.646 174.900 -0.312 0.000 1.342 218 G CA -0.171 44.809 45.100 -0.200 0.000 0.866 218 G HN 0.944 nan 8.290 nan 0.000 0.534 219 L N -0.849 120.071 121.223 -0.505 0.000 2.461 219 L HA 0.924 5.264 4.340 0.001 0.000 0.242 219 L C 1.618 178.214 176.870 -0.455 0.000 1.143 219 L CA 0.305 54.830 54.840 -0.526 0.000 0.984 219 L CB -0.132 41.499 42.059 -0.714 0.000 1.573 219 L HN 2.765 nan 8.230 nan 0.000 0.404 220 G N 1.043 109.730 108.800 -0.189 0.000 2.622 220 G HA2 -0.372 3.588 3.960 0.001 0.000 0.272 220 G HA3 -0.372 3.588 3.960 0.001 0.000 0.272 220 G C 0.640 175.570 174.900 0.049 0.000 1.308 220 G CA 0.975 46.139 45.100 0.107 0.000 0.919 220 G HN 1.179 nan 8.290 nan 0.000 0.565 221 K N -0.455 119.993 120.400 0.080 0.000 2.520 221 K HA 0.170 4.490 4.320 0.001 0.000 0.197 221 K C 1.881 178.431 176.600 -0.084 0.000 1.043 221 K CA 2.044 58.342 56.287 0.019 0.000 0.944 221 K CB -0.253 32.253 32.500 0.011 0.000 0.770 221 K HN 1.086 nan 8.250 nan 0.000 0.480 222 G N 1.307 110.065 108.800 -0.070 0.000 3.448 222 G HA2 -0.028 3.932 3.960 0.001 0.000 0.261 222 G HA3 -0.028 3.932 3.960 0.001 0.000 0.261 222 G C -0.335 174.589 174.900 0.040 0.000 1.173 222 G CA -0.681 44.350 45.100 -0.114 0.000 0.835 222 G HN 0.283 nan 8.290 nan 0.000 0.534 223 R N -0.360 120.179 120.500 0.066 0.000 2.489 223 R HA 0.238 4.579 4.340 0.001 0.000 0.287 223 R C 0.208 176.664 176.300 0.259 0.000 1.053 223 R CA 0.004 56.108 56.100 0.006 0.000 1.036 223 R CB 0.052 30.320 30.300 -0.054 0.000 0.966 223 R HN 0.319 nan 8.270 nan 0.000 0.432 224 Y N 1.404 121.767 120.300 0.104 0.000 3.724 224 Y HA -0.331 4.220 4.550 0.001 0.000 0.385 224 Y C 0.139 176.047 175.900 0.013 0.000 1.290 224 Y CA 1.401 59.509 58.100 0.013 0.000 1.965 224 Y CB -1.820 36.590 38.460 -0.082 0.000 0.866 224 Y HN 0.707 nan 8.280 nan 0.000 0.436 225 Y N 0.686 121.042 120.300 0.094 0.000 2.487 225 Y HA 0.449 4.999 4.550 0.001 0.000 0.339 225 Y C 0.438 176.319 175.900 -0.030 0.000 1.191 225 Y CA 0.564 58.676 58.100 0.019 0.000 1.279 225 Y CB 0.281 38.768 38.460 0.045 0.000 1.122 225 Y HN -0.050 nan 8.280 nan 0.000 0.500 226 S N -0.000 115.761 115.700 0.102 0.000 2.733 226 S HA 0.568 5.039 4.470 0.001 0.000 0.294 226 S C -0.670 173.959 174.600 0.048 0.000 1.149 226 S CA -0.717 57.526 58.200 0.072 0.000 1.034 226 S CB 1.257 64.494 63.200 0.063 0.000 1.015 226 S HN -0.093 nan 8.310 nan 0.000 0.486 227 V N 4.038 123.987 119.914 0.058 0.000 2.630 227 V HA 0.642 4.762 4.120 0.001 0.000 0.305 227 V C -0.286 175.869 176.094 0.101 0.000 1.046 227 V CA -0.874 61.454 62.300 0.047 0.000 0.934 227 V CB 1.756 33.597 31.823 0.029 0.000 1.003 227 V HN 0.782 nan 8.190 nan 0.000 0.451 228 N N 1.799 120.533 118.700 0.057 0.000 2.478 228 N HA 0.397 5.138 4.740 0.001 0.000 0.291 228 N C -1.373 174.122 175.510 -0.025 0.000 1.090 228 N CA -0.298 52.828 53.050 0.127 0.000 0.911 228 N CB 2.469 41.027 38.487 0.119 0.000 1.546 228 N HN 0.378 nan 8.380 nan 0.000 0.500 229 V N 3.670 123.536 119.914 -0.081 0.000 2.235 229 V HA 0.264 4.384 4.120 0.001 0.000 0.266 229 V C -2.046 173.847 176.094 -0.334 0.000 1.055 229 V CA -1.442 60.740 62.300 -0.198 0.000 0.844 229 V CB 0.885 32.607 31.823 -0.169 0.000 1.097 229 V HN 0.446 nan 8.190 nan 0.000 0.453 230 P HA 0.230 nan 4.420 nan 0.000 0.264 230 P C -0.404 176.819 177.300 -0.127 0.000 1.229 230 P CA 0.462 63.435 63.100 -0.212 0.000 0.780 230 P CB 0.930 32.453 31.700 -0.295 0.000 0.808 231 I N 2.857 123.405 120.570 -0.036 0.000 2.648 231 I HA 0.297 4.467 4.170 0.001 0.000 0.304 231 I C 0.866 177.022 176.117 0.065 0.000 1.009 231 I CA -1.059 60.217 61.300 -0.040 0.000 1.114 231 I CB 1.714 39.632 38.000 -0.138 0.000 1.293 231 I HN 0.204 nan 8.210 nan 0.000 0.449 232 Q N 2.233 122.025 119.800 -0.013 0.000 2.199 232 Q HA 0.346 4.686 4.340 0.001 0.000 0.205 232 Q C -0.871 175.151 176.000 0.036 0.000 1.001 232 Q CA -0.676 55.142 55.803 0.025 0.000 1.019 232 Q CB 0.660 29.394 28.738 -0.006 0.000 1.132 232 Q HN 0.429 nan 8.270 nan 0.000 0.530 233 D N -0.631 119.793 120.400 0.040 0.000 2.362 233 D HA 0.205 4.846 4.640 0.001 0.000 0.238 233 D C 1.002 177.311 176.300 0.015 0.000 1.212 233 D CA 1.277 55.320 54.000 0.072 0.000 0.902 233 D CB 0.534 41.353 40.800 0.030 0.000 1.180 233 D HN 0.727 nan 8.370 nan 0.000 0.445 234 G N 0.851 109.676 108.800 0.041 0.000 2.396 234 G HA2 -0.330 3.630 3.960 0.001 0.000 0.242 234 G HA3 -0.330 3.630 3.960 0.001 0.000 0.242 234 G C 0.704 175.564 174.900 -0.066 0.000 1.069 234 G CA 0.188 45.284 45.100 -0.006 0.000 0.633 234 G HN 0.623 nan 8.290 nan 0.000 0.517 235 I N 2.251 122.713 120.570 -0.181 0.000 3.089 235 I HA 0.023 4.193 4.170 0.001 0.000 0.321 235 I C 0.782 176.828 176.117 -0.118 0.000 1.222 235 I CA 0.839 62.014 61.300 -0.209 0.000 1.452 235 I CB 0.229 37.988 38.000 -0.401 0.000 1.321 235 I HN 0.471 nan 8.210 nan 0.000 0.539 236 Q N 5.646 125.419 119.800 -0.045 0.000 2.286 236 Q HA 0.188 4.528 4.340 0.001 0.000 0.250 236 Q C 0.537 176.552 176.000 0.026 0.000 1.021 236 Q CA -0.911 54.881 55.803 -0.017 0.000 0.930 236 Q CB 0.797 29.526 28.738 -0.016 0.000 1.266 236 Q HN 0.581 nan 8.270 nan 0.000 0.491 237 D N 0.700 121.103 120.400 0.006 0.000 2.280 237 D HA -0.197 4.443 4.640 0.001 0.000 0.206 237 D C 1.251 177.615 176.300 0.107 0.000 0.988 237 D CA 1.365 55.387 54.000 0.037 0.000 0.886 237 D CB 0.302 41.094 40.800 -0.013 0.000 0.914 237 D HN 0.432 nan 8.370 nan 0.000 0.473 238 E N 1.509 121.754 120.200 0.074 0.000 2.004 238 E HA -0.081 4.269 4.350 0.001 0.000 0.194 238 E C 1.778 178.427 176.600 0.082 0.000 0.981 238 E CA 1.049 57.496 56.400 0.078 0.000 0.842 238 E CB -0.037 29.684 29.700 0.035 0.000 0.796 238 E HN 0.032 nan 8.360 nan 0.000 0.477 239 K N -0.689 119.730 120.400 0.031 0.000 2.228 239 K HA -0.231 4.089 4.320 0.001 0.000 0.205 239 K C 2.266 178.849 176.600 -0.028 0.000 1.045 239 K CA 1.491 57.766 56.287 -0.019 0.000 0.931 239 K CB -0.396 32.072 32.500 -0.053 0.000 0.727 239 K HN 0.217 nan 8.250 nan 0.000 0.458 240 Y N 0.247 120.511 120.300 -0.059 0.000 2.153 240 Y HA -0.254 4.297 4.550 0.001 0.000 0.289 240 Y C 2.180 178.088 175.900 0.012 0.000 1.127 240 Y CA 1.285 59.356 58.100 -0.048 0.000 1.131 240 Y CB -0.422 38.016 38.460 -0.037 0.000 0.995 240 Y HN 0.084 nan 8.280 nan 0.000 0.505 241 Y N 0.729 121.128 120.300 0.165 0.000 2.333 241 Y HA -0.288 4.262 4.550 0.001 0.000 0.290 241 Y C 2.203 178.072 175.900 -0.052 0.000 1.144 241 Y CA 1.560 59.704 58.100 0.074 0.000 1.228 241 Y CB 0.021 38.508 38.460 0.045 0.000 0.985 241 Y HN 0.299 nan 8.280 nan 0.000 0.542 242 Q N 0.242 119.913 119.800 -0.216 0.000 1.994 242 Q HA -0.157 4.183 4.340 0.001 0.000 0.198 242 Q C 2.257 178.069 176.000 -0.314 0.000 0.976 242 Q CA 1.968 57.588 55.803 -0.305 0.000 0.828 242 Q CB -0.242 28.402 28.738 -0.156 0.000 0.894 242 Q HN 0.512 nan 8.270 nan 0.000 0.432 243 I N 0.753 121.167 120.570 -0.260 0.000 2.194 243 I HA -0.369 3.801 4.170 0.001 0.000 0.246 243 I C 2.780 178.729 176.117 -0.280 0.000 1.093 243 I CA 0.932 62.071 61.300 -0.268 0.000 1.355 243 I CB -0.485 37.321 38.000 -0.324 0.000 1.046 243 I HN 0.420 nan 8.210 nan 0.000 0.413 244 C N 0.876 119.987 119.300 -0.316 0.000 2.453 244 C HA -0.173 4.287 4.460 0.001 0.000 0.277 244 C C 2.864 177.720 174.990 -0.225 0.000 1.262 244 C CA 1.421 60.314 59.018 -0.208 0.000 1.718 244 C CB -0.889 26.825 27.740 -0.042 0.000 2.031 244 C HN 0.528 nan 8.230 nan 0.000 0.480 245 E N 0.545 120.455 120.200 -0.483 0.000 2.031 245 E HA -0.182 4.168 4.350 0.001 0.000 0.193 245 E C 2.312 178.676 176.600 -0.393 0.000 0.994 245 E CA 1.848 57.809 56.400 -0.732 0.000 0.800 245 E CB -0.135 28.855 29.700 -1.182 0.000 0.752 245 E HN 0.827 nan 8.360 nan 0.000 0.447 246 S N 0.099 115.618 115.700 -0.301 0.000 2.359 246 S HA -0.155 4.315 4.470 0.001 0.000 0.224 246 S C 2.160 176.725 174.600 -0.058 0.000 1.035 246 S CA 1.514 59.624 58.200 -0.149 0.000 1.018 246 S CB -0.774 62.341 63.200 -0.142 0.000 0.876 246 S HN 0.156 nan 8.310 nan 0.000 0.448 247 V N 1.978 121.851 119.914 -0.068 0.000 2.427 247 V HA -0.049 4.072 4.120 0.001 0.000 0.248 247 V C 2.508 178.652 176.094 0.083 0.000 1.051 247 V CA 1.593 63.888 62.300 -0.010 0.000 1.048 247 V CB -0.791 31.009 31.823 -0.039 0.000 0.666 247 V HN 0.463 nan 8.190 nan 0.000 0.456 248 L N -0.401 120.908 121.223 0.144 0.000 2.217 248 L HA -0.113 4.227 4.340 0.001 0.000 0.211 248 L C 2.509 179.661 176.870 0.469 0.000 1.107 248 L CA 1.077 56.144 54.840 0.379 0.000 0.783 248 L CB -0.467 41.919 42.059 0.544 0.000 0.919 248 L HN 0.284 nan 8.230 nan 0.000 0.442 249 K N 0.734 121.336 120.400 0.337 0.000 1.987 249 K HA -0.221 4.099 4.320 0.001 0.000 0.216 249 K C 1.994 178.727 176.600 0.223 0.000 1.051 249 K CA 1.689 58.174 56.287 0.331 0.000 0.942 249 K CB -0.171 32.427 32.500 0.163 0.000 0.722 249 K HN 0.113 nan 8.250 nan 0.000 0.444 250 E N 0.207 120.484 120.200 0.128 0.000 2.070 250 E HA -0.179 4.172 4.350 0.001 0.000 0.197 250 E C 2.169 178.815 176.600 0.077 0.000 1.004 250 E CA 1.666 58.110 56.400 0.074 0.000 0.805 250 E CB -0.646 29.079 29.700 0.041 0.000 0.744 250 E HN 0.237 nan 8.360 nan 0.000 0.451 251 V N 0.900 120.883 119.914 0.114 0.000 2.407 251 V HA -0.239 3.881 4.120 0.001 0.000 0.248 251 V C 2.223 178.390 176.094 0.122 0.000 1.055 251 V CA 1.567 63.934 62.300 0.111 0.000 1.049 251 V CB -0.712 31.189 31.823 0.129 0.000 0.662 251 V HN 0.193 nan 8.190 nan 0.000 0.455 252 Y N 1.027 121.268 120.300 -0.099 0.000 2.497 252 Y HA -0.130 4.420 4.550 0.001 0.000 0.292 252 Y C 2.294 178.054 175.900 -0.233 0.000 1.137 252 Y CA 1.012 58.878 58.100 -0.390 0.000 1.285 252 Y CB -0.149 37.923 38.460 -0.647 0.000 0.991 252 Y HN 0.411 nan 8.280 nan 0.000 0.556 253 Q N -0.769 118.946 119.800 -0.143 0.000 2.050 253 Q HA 0.084 4.424 4.340 0.001 0.000 0.200 253 Q C 2.529 178.454 176.000 -0.125 0.000 0.988 253 Q CA 0.675 56.359 55.803 -0.198 0.000 0.845 253 Q CB -0.947 27.735 28.738 -0.094 0.000 0.917 253 Q HN 0.301 nan 8.270 nan 0.000 0.481 254 A N 0.566 123.357 122.820 -0.049 0.000 2.082 254 A HA -0.240 4.080 4.320 0.001 0.000 0.224 254 A C 1.696 179.299 177.584 0.030 0.000 1.179 254 A CA 2.090 54.113 52.037 -0.024 0.000 0.670 254 A CB -0.559 18.426 19.000 -0.025 0.000 0.817 254 A HN 0.458 nan 8.150 nan 0.000 0.475 255 F N -1.015 118.860 119.950 -0.125 0.000 2.637 255 F HA 0.211 4.738 4.527 0.001 0.000 0.284 255 F C 0.678 176.429 175.800 -0.083 0.000 1.105 255 F CA 0.401 58.351 58.000 -0.083 0.000 1.356 255 F CB 0.029 39.001 39.000 -0.047 0.000 1.096 255 F HN 0.448 nan 8.300 nan 0.000 0.616 256 N N 1.773 120.367 118.700 -0.176 0.000 2.614 256 N HA -0.134 4.606 4.740 0.001 0.000 0.276 256 N C -2.666 172.681 175.510 -0.271 0.000 1.119 256 N CA -0.071 52.788 53.050 -0.319 0.000 0.742 256 N CB -0.467 37.821 38.487 -0.331 0.000 0.900 256 N HN 0.084 nan 8.380 nan 0.000 0.549 257 P HA 0.060 nan 4.420 nan 0.000 0.272 257 P C 0.025 177.382 177.300 0.095 0.000 1.240 257 P CA -0.124 63.025 63.100 0.082 0.000 0.791 257 P CB 1.063 32.972 31.700 0.348 0.000 0.978 258 K N 0.288 120.780 120.400 0.153 0.000 2.286 258 K HA 0.370 4.691 4.320 0.001 0.000 0.203 258 K C 0.811 177.589 176.600 0.298 0.000 1.078 258 K CA 0.709 57.172 56.287 0.294 0.000 0.957 258 K CB -0.150 32.607 32.500 0.429 0.000 1.018 258 K HN 0.614 nan 8.250 nan 0.000 0.484 259 A N -0.222 122.595 122.820 -0.005 0.000 2.387 259 A HA 0.767 5.088 4.320 0.001 0.000 0.303 259 A C -1.290 176.223 177.584 -0.119 0.000 1.145 259 A CA -0.615 51.175 52.037 -0.411 0.000 0.801 259 A CB 1.750 20.008 19.000 -1.237 0.000 1.342 259 A HN -0.104 nan 8.150 nan 0.000 0.440 260 V N 0.164 120.002 119.914 -0.127 0.000 2.733 260 V HA 0.485 4.605 4.120 0.001 0.000 0.306 260 V C -1.097 174.960 176.094 -0.061 0.000 1.084 260 V CA -0.450 61.841 62.300 -0.015 0.000 0.905 260 V CB 1.906 33.775 31.823 0.077 0.000 1.010 260 V HN 0.693 nan 8.190 nan 0.000 0.424 261 V N 5.712 125.616 119.914 -0.017 0.000 2.349 261 V HA 0.475 4.596 4.120 0.001 0.000 0.284 261 V C -0.622 175.430 176.094 -0.069 0.000 1.014 261 V CA -0.465 61.834 62.300 -0.002 0.000 0.826 261 V CB 1.551 33.445 31.823 0.119 0.000 1.009 261 V HN 0.651 nan 8.190 nan 0.000 0.431 262 L N 4.704 125.851 121.223 -0.126 0.000 2.280 262 L HA 0.541 4.881 4.340 0.001 0.000 0.287 262 L C -0.113 176.658 176.870 -0.166 0.000 1.023 262 L CA 0.276 55.010 54.840 -0.178 0.000 0.819 262 L CB 1.473 43.457 42.059 -0.126 0.000 1.212 262 L HN 0.623 nan 8.230 nan 0.000 0.420 263 Q N 5.708 125.382 119.800 -0.210 0.000 2.303 263 Q HA 0.340 4.680 4.340 0.001 0.000 0.257 263 Q C -1.299 174.699 176.000 -0.003 0.000 0.941 263 Q CA -0.237 55.508 55.803 -0.097 0.000 0.931 263 Q CB 1.152 29.862 28.738 -0.047 0.000 1.215 263 Q HN 0.782 nan 8.270 nan 0.000 0.437 264 L N 3.971 125.233 121.223 0.064 0.000 2.825 264 L HA 0.384 4.725 4.340 0.001 0.000 0.236 264 L C 0.780 177.865 176.870 0.358 0.000 1.301 264 L CA -0.770 54.200 54.840 0.216 0.000 0.977 264 L CB 0.908 43.159 42.059 0.319 0.000 1.300 264 L HN 0.599 nan 8.230 nan 0.000 0.486 265 G N 0.325 109.274 108.800 0.249 0.000 2.380 265 G HA2 0.284 4.245 3.960 0.001 0.000 0.242 265 G HA3 0.284 4.245 3.960 0.001 0.000 0.242 265 G C 0.725 175.755 174.900 0.217 0.000 1.298 265 G CA 0.118 45.380 45.100 0.270 0.000 0.878 265 G HN 0.592 nan 8.290 nan 0.000 0.542 266 A N 1.832 124.702 122.820 0.083 0.000 2.462 266 A HA 0.250 4.570 4.320 0.001 0.000 0.261 266 A C 1.164 178.668 177.584 -0.132 0.000 1.323 266 A CA 0.339 52.286 52.037 -0.151 0.000 0.913 266 A CB 0.071 18.713 19.000 -0.597 0.000 1.028 266 A HN 0.596 nan 8.150 nan 0.000 0.511 267 D N -0.581 119.811 120.400 -0.012 0.000 2.370 267 D HA -0.030 4.611 4.640 0.001 0.000 0.230 267 D C 0.968 177.283 176.300 0.026 0.000 1.143 267 D CA 0.912 54.951 54.000 0.065 0.000 0.834 267 D CB -0.679 40.290 40.800 0.281 0.000 0.944 267 D HN 0.311 nan 8.370 nan 0.000 0.504 268 T N -3.193 111.361 114.554 0.000 0.000 3.040 268 T HA 0.228 4.578 4.350 0.001 0.000 0.266 268 T C 0.554 175.290 174.700 0.061 0.000 1.005 268 T CA -0.437 61.684 62.100 0.035 0.000 0.906 268 T CB 0.198 69.136 68.868 0.118 0.000 1.082 268 T HN -0.049 nan 8.240 nan 0.000 0.531 269 I N 3.005 123.565 120.570 -0.016 0.000 2.325 269 I HA 0.509 4.680 4.170 0.001 0.000 0.291 269 I C 1.049 177.146 176.117 -0.034 0.000 1.019 269 I CA -1.490 59.779 61.300 -0.053 0.000 1.302 269 I CB -0.074 37.850 38.000 -0.126 0.000 1.401 269 I HN 0.312 nan 8.210 nan 0.000 0.485 270 A N 4.915 127.722 122.820 -0.022 0.000 2.600 270 A HA 0.323 4.643 4.320 0.001 0.000 0.244 270 A C 1.325 178.886 177.584 -0.038 0.000 1.016 270 A CA 1.176 53.204 52.037 -0.016 0.000 0.778 270 A CB -0.472 18.512 19.000 -0.027 0.000 0.920 270 A HN 1.331 nan 8.150 nan 0.000 0.513 271 G N 2.021 110.807 108.800 -0.024 0.000 2.697 271 G HA2 -0.192 3.769 3.960 0.001 0.000 0.200 271 G HA3 -0.192 3.769 3.960 0.001 0.000 0.200 271 G C 0.177 175.062 174.900 -0.025 0.000 1.106 271 G CA 0.396 45.471 45.100 -0.041 0.000 0.748 271 G HN 1.122 nan 8.290 nan 0.000 0.503 272 D N 2.455 122.846 120.400 -0.015 0.000 2.515 272 D HA 0.275 4.915 4.640 0.001 0.000 0.230 272 D C -0.103 176.235 176.300 0.063 0.000 1.181 272 D CA 0.077 54.096 54.000 0.032 0.000 0.875 272 D CB 1.217 42.058 40.800 0.068 0.000 1.213 272 D HN 0.188 nan 8.370 nan 0.000 0.478 273 P HA -0.078 nan 4.420 nan 0.000 0.231 273 P C 1.229 178.587 177.300 0.096 0.000 1.168 273 P CA 0.403 63.549 63.100 0.077 0.000 0.779 273 P CB 0.137 31.880 31.700 0.071 0.000 0.844 274 M N -0.040 119.649 119.600 0.148 0.000 2.346 274 M HA -0.057 4.423 4.480 0.001 0.000 0.263 274 M C 0.927 177.307 176.300 0.134 0.000 1.064 274 M CA 0.560 55.966 55.300 0.176 0.000 1.083 274 M CB -1.681 31.073 32.600 0.257 0.000 1.399 274 M HN -0.022 nan 8.290 nan 0.000 0.435 275 C N 0.337 119.694 119.300 0.096 0.000 3.592 275 C HA -0.212 4.248 4.460 0.001 0.000 0.281 275 C C 1.836 176.866 174.990 0.067 0.000 1.400 275 C CA 0.615 59.675 59.018 0.070 0.000 2.104 275 C CB -2.269 25.505 27.740 0.056 0.000 1.369 275 C HN 0.789 nan 8.230 nan 0.000 0.597 276 S N -0.501 115.240 115.700 0.068 0.000 3.049 276 S HA 0.474 4.945 4.470 0.001 0.000 0.182 276 S C 0.707 175.434 174.600 0.211 0.000 0.725 276 S CA -0.007 58.225 58.200 0.053 0.000 0.811 276 S CB -0.103 63.034 63.200 -0.105 0.000 0.801 276 S HN 0.602 nan 8.310 nan 0.000 0.627 277 F N 1.745 121.684 119.950 -0.018 0.000 2.313 277 F HA 0.242 4.769 4.527 0.000 0.000 0.288 277 F C 1.023 176.816 175.800 -0.012 0.000 1.274 277 F CA -0.092 57.905 58.000 -0.004 0.000 1.241 277 F CB 0.261 39.270 39.000 0.016 0.000 1.409 277 F HN 0.333 nan 8.300 nan 0.000 0.511 278 N N 0.383 119.189 118.700 0.178 0.000 2.604 278 N HA 0.127 4.867 4.740 0.001 0.000 0.284 278 N C -0.851 174.665 175.510 0.011 0.000 1.716 278 N CA -0.080 53.008 53.050 0.064 0.000 0.859 278 N CB 0.164 38.669 38.487 0.030 0.000 1.403 278 N HN 0.296 nan 8.380 nan 0.000 0.501 279 M N -0.152 119.451 119.600 0.006 0.000 2.012 279 M HA 0.434 4.914 4.480 0.001 0.000 0.248 279 M C 0.879 177.128 176.300 -0.086 0.000 1.238 279 M CA -0.068 55.190 55.300 -0.071 0.000 0.980 279 M CB 0.345 32.858 32.600 -0.144 0.000 1.346 279 M HN 0.327 nan 8.290 nan 0.000 0.511 280 T N -3.473 111.007 114.554 -0.124 0.000 2.843 280 T HA 0.453 4.803 4.350 0.001 0.000 0.302 280 T C -2.612 171.969 174.700 -0.198 0.000 1.232 280 T CA -1.452 60.553 62.100 -0.159 0.000 1.009 280 T CB 1.768 70.537 68.868 -0.164 0.000 1.254 280 T HN 0.239 nan 8.240 nan 0.000 0.504 281 P HA -0.015 nan 4.420 nan 0.000 0.223 281 P C 1.531 178.670 177.300 -0.269 0.000 1.144 281 P CA 0.359 63.294 63.100 -0.274 0.000 0.783 281 P CB -0.036 31.417 31.700 -0.413 0.000 0.771 282 V N -0.192 119.509 119.914 -0.355 0.000 2.283 282 V HA -0.139 3.982 4.120 0.001 0.000 0.243 282 V C 2.622 178.687 176.094 -0.047 0.000 1.039 282 V CA 2.508 64.714 62.300 -0.157 0.000 1.016 282 V CB -1.799 29.922 31.823 -0.170 0.000 0.650 282 V HN 0.148 nan 8.190 nan 0.000 0.449 283 G N 0.424 109.173 108.800 -0.084 0.000 2.491 283 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 283 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 283 G C 1.463 176.345 174.900 -0.029 0.000 1.180 283 G CA 1.376 46.442 45.100 -0.056 0.000 0.774 283 G HN 0.464 nan 8.290 nan 0.000 0.562 284 I N 1.916 122.452 120.570 -0.057 0.000 2.454 284 I HA -0.007 4.163 4.170 0.001 0.000 0.254 284 I C 2.939 179.106 176.117 0.084 0.000 1.156 284 I CA 1.144 62.448 61.300 0.006 0.000 1.433 284 I CB -0.610 37.392 38.000 0.005 0.000 1.082 284 I HN 0.183 nan 8.210 nan 0.000 0.432 285 G N 0.236 109.105 108.800 0.115 0.000 2.408 285 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 285 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 285 G C 1.759 176.664 174.900 0.009 0.000 1.150 285 G CA 0.396 45.582 45.100 0.143 0.000 0.776 285 G HN 0.315 nan 8.290 nan 0.000 0.542 286 K N -0.196 120.141 120.400 -0.104 0.000 2.032 286 K HA -0.106 4.214 4.320 0.001 0.000 0.209 286 K C 2.656 179.187 176.600 -0.116 0.000 1.048 286 K CA 1.365 57.436 56.287 -0.360 0.000 0.927 286 K CB -0.466 31.413 32.500 -1.035 0.000 0.712 286 K HN 0.341 nan 8.250 nan 0.000 0.441 287 C N 0.915 120.281 119.300 0.110 0.000 2.413 287 C HA -0.130 4.331 4.460 0.001 0.000 0.276 287 C C 2.593 177.659 174.990 0.127 0.000 1.236 287 C CA 0.315 59.505 59.018 0.287 0.000 1.735 287 C CB -0.875 27.041 27.740 0.292 0.000 2.031 287 C HN 0.460 nan 8.230 nan 0.000 0.474 288 L N 1.429 122.687 121.223 0.058 0.000 2.042 288 L HA -0.140 4.200 4.340 0.001 0.000 0.210 288 L C 2.426 179.254 176.870 -0.071 0.000 1.076 288 L CA 1.880 56.713 54.840 -0.012 0.000 0.749 288 L CB -0.738 41.335 42.059 0.023 0.000 0.893 288 L HN 0.292 nan 8.230 nan 0.000 0.432 289 K N -1.585 118.789 120.400 -0.043 0.000 2.002 289 K HA -0.253 4.068 4.320 0.001 0.000 0.209 289 K C 2.188 178.731 176.600 -0.095 0.000 1.048 289 K CA 1.985 58.232 56.287 -0.066 0.000 0.930 289 K CB -0.637 31.835 32.500 -0.047 0.000 0.714 289 K HN 0.335 nan 8.250 nan 0.000 0.438 290 Y N 1.672 121.889 120.300 -0.138 0.000 2.193 290 Y HA -0.217 4.334 4.550 0.001 0.000 0.285 290 Y C 1.820 177.343 175.900 -0.628 0.000 1.166 290 Y CA 1.364 59.343 58.100 -0.202 0.000 1.181 290 Y CB -0.076 38.391 38.460 0.012 0.000 0.976 290 Y HN 0.026 nan 8.280 nan 0.000 0.520 291 I N -1.027 119.143 120.570 -0.668 0.000 2.406 291 I HA -0.253 3.917 4.170 0.001 0.000 0.249 291 I C 2.149 177.767 176.117 -0.833 0.000 1.122 291 I CA 0.747 61.352 61.300 -1.157 0.000 1.431 291 I CB -0.263 37.359 38.000 -0.630 0.000 1.087 291 I HN 0.205 nan 8.210 nan 0.000 0.424 292 L N 0.515 121.469 121.223 -0.448 0.000 2.131 292 L HA -0.210 4.130 4.340 0.001 0.000 0.210 292 L C 2.493 179.214 176.870 -0.248 0.000 1.092 292 L CA 1.009 55.690 54.840 -0.265 0.000 0.759 292 L CB -0.527 41.431 42.059 -0.169 0.000 0.903 292 L HN 0.354 nan 8.230 nan 0.000 0.435 293 Q N -0.348 119.247 119.800 -0.342 0.000 2.557 293 Q HA -0.198 4.142 4.340 0.001 0.000 0.217 293 Q C 1.080 176.997 176.000 -0.139 0.000 0.978 293 Q CA 0.798 56.460 55.803 -0.236 0.000 0.950 293 Q CB 0.060 28.657 28.738 -0.235 0.000 0.991 293 Q HN 0.535 nan 8.270 nan 0.000 0.533 294 W N 0.021 121.162 121.300 -0.264 0.000 3.114 294 W HA 0.173 4.833 4.660 0.001 0.000 0.279 294 W C 0.662 177.115 176.519 -0.110 0.000 1.277 294 W CA -0.144 57.025 57.345 -0.293 0.000 1.630 294 W CB 0.162 29.290 29.460 -0.553 0.000 1.087 294 W HN 0.280 nan 8.180 nan 0.000 0.637 295 Q N -0.869 118.991 119.800 0.101 0.000 2.406 295 Q HA -0.209 4.131 4.340 0.001 0.000 0.236 295 Q C 0.104 176.169 176.000 0.109 0.000 0.799 295 Q CA 0.916 56.767 55.803 0.079 0.000 1.286 295 Q CB -2.122 26.661 28.738 0.076 0.000 1.615 295 Q HN 0.195 nan 8.270 nan 0.000 0.621 296 L N -0.752 120.559 121.223 0.147 0.000 2.456 296 L HA 0.639 4.980 4.340 0.001 0.000 0.257 296 L C 0.903 177.831 176.870 0.097 0.000 1.162 296 L CA -0.516 54.421 54.840 0.161 0.000 0.808 296 L CB 0.273 42.451 42.059 0.198 0.000 1.136 296 L HN 0.149 nan 8.230 nan 0.000 0.466 297 A N 0.931 123.811 122.820 0.099 0.000 2.540 297 A HA 0.377 4.698 4.320 0.001 0.000 0.239 297 A C 0.059 177.597 177.584 -0.078 0.000 1.061 297 A CA 0.235 52.279 52.037 0.012 0.000 0.758 297 A CB -0.297 18.708 19.000 0.009 0.000 0.991 297 A HN 0.707 nan 8.150 nan 0.000 0.502 298 T N 3.296 117.803 114.554 -0.078 0.000 2.881 298 T HA 0.433 4.783 4.350 0.001 0.000 0.291 298 T C -0.824 173.794 174.700 -0.137 0.000 0.990 298 T CA -0.300 61.737 62.100 -0.105 0.000 0.976 298 T CB 0.993 69.803 68.868 -0.097 0.000 0.970 298 T HN 0.552 nan 8.240 nan 0.000 0.438 299 L N 5.464 126.598 121.223 -0.149 0.000 2.262 299 L HA 0.521 4.862 4.340 0.001 0.000 0.288 299 L C -0.844 175.899 176.870 -0.212 0.000 1.035 299 L CA -0.731 54.006 54.840 -0.171 0.000 0.820 299 L CB 0.108 42.084 42.059 -0.139 0.000 1.204 299 L HN 0.514 nan 8.230 nan 0.000 0.424 300 I N 6.736 127.115 120.570 -0.317 0.000 2.325 300 I HA 0.314 4.484 4.170 0.001 0.000 0.291 300 I C -0.054 175.740 176.117 -0.538 0.000 1.019 300 I CA -0.206 60.823 61.300 -0.452 0.000 1.302 300 I CB 0.885 38.484 38.000 -0.668 0.000 1.401 300 I HN 0.538 nan 8.210 nan 0.000 0.485 301 L N 4.864 125.845 121.223 -0.403 0.000 2.341 301 L HA 0.661 5.002 4.340 0.001 0.000 0.267 301 L C 0.961 177.649 176.870 -0.304 0.000 1.009 301 L CA -0.533 54.096 54.840 -0.351 0.000 0.819 301 L CB 2.098 44.039 42.059 -0.196 0.000 1.323 301 L HN 0.658 nan 8.230 nan 0.000 0.425 302 G N -0.014 108.576 108.800 -0.351 0.000 2.964 302 G HA2 0.658 4.618 3.960 0.001 0.000 0.191 302 G HA3 0.658 4.618 3.960 0.001 0.000 0.191 302 G C 0.293 175.067 174.900 -0.210 0.000 1.978 302 G CA 0.314 45.161 45.100 -0.422 0.000 0.861 302 G HN 1.024 nan 8.290 nan 0.000 0.584 303 G N -1.617 107.022 108.800 -0.269 0.000 2.301 303 G HA2 0.450 4.411 3.960 0.001 0.000 0.194 303 G HA3 0.450 4.411 3.960 0.001 0.000 0.194 303 G C 0.576 175.369 174.900 -0.177 0.000 1.266 303 G CA 0.088 44.891 45.100 -0.495 0.000 1.210 303 G HN 1.563 nan 8.290 nan 0.000 0.524 304 G N -0.573 108.230 108.800 0.004 0.000 2.760 304 G HA2 0.622 4.582 3.960 0.001 0.000 0.236 304 G HA3 0.622 4.582 3.960 0.001 0.000 0.236 304 G C 0.800 175.603 174.900 -0.161 0.000 1.243 304 G CA 1.337 46.512 45.100 0.126 0.000 0.850 304 G HN 2.368 nan 8.290 nan 0.000 0.595 305 G N -0.615 107.737 108.800 -0.747 0.000 2.046 305 G HA2 0.214 4.175 3.960 0.001 0.000 0.180 305 G HA3 0.214 4.175 3.960 0.001 0.000 0.180 305 G C -0.440 173.920 174.900 -0.900 0.000 1.990 305 G CA -0.557 44.145 45.100 -0.663 0.000 0.997 305 G HN 0.634 nan 8.290 nan 0.000 0.592 306 Y N 0.968 121.259 120.300 -0.014 0.000 2.485 306 Y HA 0.339 4.890 4.550 0.001 0.000 0.260 306 Y C 1.381 177.238 175.900 -0.071 0.000 1.173 306 Y CA -0.535 57.555 58.100 -0.015 0.000 1.252 306 Y CB 0.928 39.414 38.460 0.044 0.000 1.123 306 Y HN 0.460 nan 8.280 nan 0.000 0.524 307 N N 1.694 120.335 118.700 -0.099 0.000 2.955 307 N HA 0.156 4.896 4.740 0.001 0.000 0.242 307 N C 0.871 176.247 175.510 -0.223 0.000 1.123 307 N CA 0.106 53.079 53.050 -0.128 0.000 0.949 307 N CB 0.226 38.634 38.487 -0.132 0.000 1.214 307 N HN 0.347 nan 8.380 nan 0.000 0.504 308 L N 1.339 122.438 121.223 -0.207 0.000 2.040 308 L HA -0.349 3.991 4.340 0.001 0.000 0.228 308 L C 2.323 179.003 176.870 -0.316 0.000 1.092 308 L CA 2.188 56.875 54.840 -0.255 0.000 0.805 308 L CB -0.903 41.025 42.059 -0.219 0.000 0.905 308 L HN 0.434 nan 8.230 nan 0.000 0.443 309 A N 0.260 122.857 122.820 -0.371 0.000 1.849 309 A HA -0.271 4.050 4.320 0.001 0.000 0.217 309 A C 2.031 179.416 177.584 -0.332 0.000 1.202 309 A CA 2.384 54.091 52.037 -0.549 0.000 0.629 309 A CB -0.862 17.743 19.000 -0.658 0.000 0.834 309 A HN 0.474 nan 8.150 nan 0.000 0.447 310 N N -0.438 118.095 118.700 -0.279 0.000 2.094 310 N HA -0.127 4.613 4.740 0.001 0.000 0.191 310 N C 1.753 177.073 175.510 -0.318 0.000 1.023 310 N CA 2.001 54.912 53.050 -0.230 0.000 0.857 310 N CB -0.868 37.493 38.487 -0.210 0.000 1.013 310 N HN 0.560 nan 8.380 nan 0.000 0.426 311 T N 0.364 114.659 114.554 -0.431 0.000 2.684 311 T HA -0.104 4.247 4.350 0.001 0.000 0.267 311 T C 1.893 176.152 174.700 -0.735 0.000 1.036 311 T CA 1.479 63.133 62.100 -0.743 0.000 1.148 311 T CB -0.464 67.900 68.868 -0.841 0.000 0.863 311 T HN 0.376 nan 8.240 nan 0.000 0.436 312 A N 1.766 124.352 122.820 -0.390 0.000 1.902 312 A HA -0.130 4.191 4.320 0.001 0.000 0.217 312 A C 2.375 179.887 177.584 -0.121 0.000 1.181 312 A CA 1.388 53.317 52.037 -0.180 0.000 0.623 312 A CB -0.500 18.521 19.000 0.037 0.000 0.818 312 A HN 0.406 nan 8.150 nan 0.000 0.443 313 R N -1.110 119.354 120.500 -0.059 0.000 2.083 313 R HA -0.195 4.145 4.340 0.001 0.000 0.237 313 R C 2.415 178.651 176.300 -0.106 0.000 1.137 313 R CA 1.608 57.689 56.100 -0.031 0.000 0.951 313 R CB -1.039 29.255 30.300 -0.011 0.000 0.851 313 R HN 0.682 nan 8.270 nan 0.000 0.434 314 C N -0.069 119.095 119.300 -0.227 0.000 2.453 314 C HA -0.091 4.369 4.460 0.001 0.000 0.277 314 C C 2.377 177.313 174.990 -0.090 0.000 1.262 314 C CA 0.289 59.182 59.018 -0.208 0.000 1.718 314 C CB -1.013 26.507 27.740 -0.367 0.000 2.031 314 C HN 0.602 nan 8.230 nan 0.000 0.480 315 W N 0.840 121.897 121.300 -0.406 0.000 2.418 315 W HA 0.070 4.731 4.660 0.001 0.000 0.292 315 W C 2.634 178.908 176.519 -0.408 0.000 1.213 315 W CA 1.406 58.284 57.345 -0.779 0.000 1.283 315 W CB -1.745 26.759 29.460 -1.594 0.000 1.119 315 W HN 0.304 nan 8.180 nan 0.000 0.542 316 T N 0.010 114.524 114.554 -0.065 0.000 2.708 316 T HA -0.291 4.060 4.350 0.001 0.000 0.266 316 T C 1.542 176.200 174.700 -0.070 0.000 1.037 316 T CA 1.781 63.841 62.100 -0.068 0.000 1.146 316 T CB -0.906 67.859 68.868 -0.171 0.000 0.865 316 T HN 0.171 nan 8.240 nan 0.000 0.435 317 Y N 1.418 121.618 120.300 -0.167 0.000 2.274 317 Y HA -0.033 4.518 4.550 0.001 0.000 0.290 317 Y C 1.911 177.789 175.900 -0.036 0.000 1.145 317 Y CA 0.997 59.017 58.100 -0.134 0.000 1.203 317 Y CB -0.401 37.990 38.460 -0.114 0.000 0.984 317 Y HN 0.143 nan 8.280 nan 0.000 0.533 318 L N -1.070 120.211 121.223 0.097 0.000 2.131 318 L HA -0.154 4.187 4.340 0.001 0.000 0.206 318 L C 2.262 179.204 176.870 0.120 0.000 1.087 318 L CA 1.504 56.415 54.840 0.117 0.000 0.767 318 L CB -0.643 41.622 42.059 0.342 0.000 0.917 318 L HN 0.161 nan 8.230 nan 0.000 0.441 319 T N -0.448 114.231 114.554 0.208 0.000 2.833 319 T HA -0.111 4.239 4.350 0.001 0.000 0.269 319 T C 1.766 176.484 174.700 0.030 0.000 1.054 319 T CA 1.249 63.481 62.100 0.220 0.000 1.135 319 T CB -0.336 68.720 68.868 0.312 0.000 0.869 319 T HN 0.544 nan 8.240 nan 0.000 0.466 320 G N 1.162 109.903 108.800 -0.098 0.000 2.443 320 G HA2 -0.111 3.849 3.960 0.001 0.000 0.219 320 G HA3 -0.111 3.849 3.960 0.001 0.000 0.219 320 G C 1.775 176.545 174.900 -0.216 0.000 1.131 320 G CA 1.049 46.040 45.100 -0.182 0.000 0.775 320 G HN 0.547 nan 8.290 nan 0.000 0.547 321 V N -1.060 118.690 119.914 -0.274 0.000 2.535 321 V HA 0.152 4.272 4.120 0.001 0.000 0.246 321 V C 2.501 178.526 176.094 -0.114 0.000 1.045 321 V CA 0.814 62.977 62.300 -0.228 0.000 1.058 321 V CB -0.414 31.250 31.823 -0.265 0.000 0.689 321 V HN 0.301 nan 8.190 nan 0.000 0.461 322 I N 0.273 120.801 120.570 -0.070 0.000 2.264 322 I HA -0.212 3.959 4.170 0.001 0.000 0.248 322 I C 2.316 178.411 176.117 -0.036 0.000 1.111 322 I CA 1.971 63.245 61.300 -0.043 0.000 1.382 322 I CB -0.109 37.883 38.000 -0.014 0.000 1.060 322 I HN 0.313 nan 8.210 nan 0.000 0.418 323 L N 0.069 121.273 121.223 -0.031 0.000 2.591 323 L HA 0.156 4.497 4.340 0.001 0.000 0.228 323 L C 1.660 178.509 176.870 -0.034 0.000 1.133 323 L CA 0.492 55.321 54.840 -0.020 0.000 0.880 323 L CB -0.296 41.762 42.059 -0.002 0.000 1.033 323 L HN 0.470 nan 8.230 nan 0.000 0.450 324 G N -0.017 108.749 108.800 -0.057 0.000 2.196 324 G HA2 -0.282 3.678 3.960 0.001 0.000 0.268 324 G HA3 -0.282 3.678 3.960 0.001 0.000 0.268 324 G C 0.550 175.418 174.900 -0.053 0.000 0.975 324 G CA 0.369 45.435 45.100 -0.057 0.000 0.648 324 G HN 0.216 nan 8.290 nan 0.000 0.538 325 K N 0.100 120.468 120.400 -0.055 0.000 2.118 325 K HA 0.557 4.877 4.320 0.001 0.000 0.240 325 K C 0.202 176.768 176.600 -0.056 0.000 1.035 325 K CA 0.099 56.363 56.287 -0.038 0.000 0.899 325 K CB 0.304 32.792 32.500 -0.020 0.000 1.085 325 K HN 0.082 nan 8.250 nan 0.000 0.498 326 T N 1.724 116.266 114.554 -0.020 0.000 2.991 326 T HA 0.344 4.695 4.350 0.001 0.000 0.347 326 T C 0.192 174.914 174.700 0.036 0.000 1.122 326 T CA -0.594 61.504 62.100 -0.004 0.000 1.062 326 T CB 0.198 69.075 68.868 0.015 0.000 1.043 326 T HN 0.221 nan 8.240 nan 0.000 0.491 327 L N 2.047 123.290 121.223 0.033 0.000 2.483 327 L HA 0.247 4.587 4.340 0.001 0.000 0.276 327 L C 1.313 178.306 176.870 0.205 0.000 1.213 327 L CA -0.379 54.533 54.840 0.120 0.000 0.843 327 L CB 0.425 42.448 42.059 -0.060 0.000 1.107 327 L HN 0.539 nan 8.230 nan 0.000 0.487 328 S N 1.117 117.005 115.700 0.314 0.000 2.552 328 S HA -0.067 4.404 4.470 0.001 0.000 0.289 328 S C 1.240 175.978 174.600 0.231 0.000 1.304 328 S CA 0.042 58.368 58.200 0.210 0.000 1.063 328 S CB 0.946 64.216 63.200 0.117 0.000 0.848 328 S HN 0.691 nan 8.310 nan 0.000 0.499 329 S N 2.894 118.681 115.700 0.145 0.000 2.428 329 S HA 0.029 4.500 4.470 0.001 0.000 0.230 329 S C 0.595 175.278 174.600 0.139 0.000 1.014 329 S CA 0.583 58.862 58.200 0.131 0.000 0.957 329 S CB -0.263 62.991 63.200 0.089 0.000 0.784 329 S HN 0.804 nan 8.310 nan 0.000 0.499 330 E N 1.614 121.885 120.200 0.118 0.000 2.283 330 E HA 0.163 4.514 4.350 0.001 0.000 0.278 330 E C -0.410 176.260 176.600 0.117 0.000 1.027 330 E CA -0.373 56.100 56.400 0.120 0.000 0.843 330 E CB 0.860 30.607 29.700 0.078 0.000 1.062 330 E HN 0.266 nan 8.360 nan 0.000 0.401 331 I N 5.119 125.798 120.570 0.182 0.000 2.421 331 I HA 0.115 4.286 4.170 0.001 0.000 0.291 331 I C -1.990 174.208 176.117 0.136 0.000 1.089 331 I CA -2.097 59.292 61.300 0.148 0.000 1.354 331 I CB -0.321 37.775 38.000 0.161 0.000 1.413 331 I HN 0.063 nan 8.210 nan 0.000 0.513 332 P HA -0.024 nan 4.420 nan 0.000 0.267 332 P C -0.228 177.084 177.300 0.020 0.000 1.200 332 P CA -0.074 62.927 63.100 -0.165 0.000 0.772 332 P CB 0.527 31.999 31.700 -0.380 0.000 0.855 333 D N 2.227 122.503 120.400 -0.207 0.000 2.389 333 D HA 0.098 4.738 4.640 0.001 0.000 0.247 333 D C -0.108 176.204 176.300 0.020 0.000 1.128 333 D CA 0.543 54.339 54.000 -0.341 0.000 0.884 333 D CB 0.235 40.671 40.800 -0.606 0.000 1.194 333 D HN 0.486 nan 8.370 nan 0.000 0.441 334 H N 0.752 119.828 119.070 0.011 0.000 2.918 334 H HA 0.208 4.765 4.556 0.001 0.000 0.303 334 H C 0.581 175.935 175.328 0.043 0.000 1.380 334 H CA -0.667 55.387 56.048 0.010 0.000 1.134 334 H CB 0.489 30.266 29.762 0.026 0.000 1.842 334 H HN 0.431 nan 8.280 nan 0.000 0.533 335 E N 0.073 120.231 120.200 -0.070 0.000 2.108 335 E HA -0.185 4.165 4.350 0.001 0.000 0.203 335 E C 0.309 176.629 176.600 -0.467 0.000 1.022 335 E CA 2.006 58.209 56.400 -0.328 0.000 0.823 335 E CB -0.094 29.295 29.700 -0.519 0.000 0.744 335 E HN 0.408 nan 8.360 nan 0.000 0.456 336 F N -0.592 119.272 119.950 -0.144 0.000 2.660 336 F HA 0.137 4.664 4.527 0.001 0.000 0.302 336 F C 1.331 177.060 175.800 -0.118 0.000 1.103 336 F CA -0.359 57.613 58.000 -0.047 0.000 1.340 336 F CB -0.331 38.810 39.000 0.235 0.000 1.048 336 F HN 0.040 nan 8.300 nan 0.000 0.551 337 F N 1.347 120.975 119.950 -0.537 0.000 2.176 337 F HA -0.337 4.190 4.527 0.001 0.000 0.301 337 F C 2.135 178.101 175.800 0.276 0.000 1.071 337 F CA 2.042 59.951 58.000 -0.152 0.000 1.289 337 F CB -0.538 38.365 39.000 -0.161 0.000 1.028 337 F HN -0.038 nan 8.300 nan 0.000 0.494 338 T N 0.311 114.925 114.554 0.099 0.000 2.759 338 T HA -0.198 4.152 4.350 0.001 0.000 0.269 338 T C 2.059 176.754 174.700 -0.009 0.000 1.042 338 T CA 1.338 63.475 62.100 0.062 0.000 1.140 338 T CB -0.777 68.154 68.868 0.105 0.000 0.864 338 T HN 0.403 nan 8.240 nan 0.000 0.455 339 A N 0.193 123.010 122.820 -0.004 0.000 2.239 339 A HA 0.103 4.423 4.320 0.001 0.000 0.209 339 A C 0.992 178.298 177.584 -0.464 0.000 1.171 339 A CA 0.402 52.319 52.037 -0.202 0.000 0.768 339 A CB -0.715 18.153 19.000 -0.219 0.000 0.790 339 A HN 0.606 nan 8.150 nan 0.000 0.478 340 Y N 0.152 120.257 120.300 -0.324 0.000 2.583 340 Y HA 0.345 4.895 4.550 0.001 0.000 0.294 340 Y C 1.607 176.939 175.900 -0.946 0.000 1.170 340 Y CA -0.683 57.156 58.100 -0.435 0.000 1.265 340 Y CB -0.477 37.838 38.460 -0.241 0.000 1.119 340 Y HN 0.246 nan 8.280 nan 0.000 0.522 341 G N 1.225 109.487 108.800 -0.897 0.000 2.636 341 G HA2 0.273 4.233 3.960 0.001 0.000 0.246 341 G HA3 0.273 4.233 3.960 0.001 0.000 0.246 341 G C -1.855 172.715 174.900 -0.550 0.000 1.216 341 G CA -0.947 43.508 45.100 -1.076 0.000 0.854 341 G HN 0.103 nan 8.290 nan 0.000 0.572 342 P HA 0.276 nan 4.420 nan 0.000 0.266 342 P C -0.054 177.219 177.300 -0.046 0.000 1.561 342 P CA 0.026 63.012 63.100 -0.189 0.000 1.089 342 P CB 1.100 32.780 31.700 -0.034 0.000 1.534 343 D N -1.238 119.039 120.400 -0.205 0.000 2.482 343 D HA 0.065 4.706 4.640 0.001 0.000 0.251 343 D C -0.012 176.437 176.300 0.249 0.000 1.073 343 D CA 0.239 54.283 54.000 0.074 0.000 0.892 343 D CB 0.031 40.837 40.800 0.011 0.000 1.202 343 D HN 0.016 nan 8.370 nan 0.000 0.496 344 Y N 0.290 120.611 120.300 0.036 0.000 3.125 344 Y HA -0.233 4.317 4.550 0.001 0.000 0.200 344 Y C -0.290 175.673 175.900 0.105 0.000 1.373 344 Y CA -0.304 57.836 58.100 0.066 0.000 1.180 344 Y CB -2.192 36.304 38.460 0.060 0.000 1.381 344 Y HN -0.144 nan 8.280 nan 0.000 0.501 345 V N -2.509 117.505 119.914 0.165 0.000 2.876 345 V HA 0.498 4.618 4.120 0.001 0.000 0.312 345 V C 0.524 176.687 176.094 0.115 0.000 1.085 345 V CA -1.209 61.174 62.300 0.139 0.000 0.945 345 V CB 1.959 33.840 31.823 0.097 0.000 1.017 345 V HN 0.094 nan 8.190 nan 0.000 0.428 346 L N 0.881 122.177 121.223 0.122 0.000 2.549 346 L HA 0.233 4.573 4.340 0.001 0.000 0.229 346 L C 0.765 177.636 176.870 0.002 0.000 1.158 346 L CA 1.491 56.387 54.840 0.094 0.000 0.842 346 L CB -0.677 41.462 42.059 0.134 0.000 0.952 346 L HN 0.887 nan 8.230 nan 0.000 0.452 347 E N -0.481 119.710 120.200 -0.016 0.000 2.248 347 E HA 0.524 4.875 4.350 0.001 0.000 0.272 347 E C -0.710 175.842 176.600 -0.081 0.000 1.008 347 E CA -0.297 56.051 56.400 -0.086 0.000 0.856 347 E CB 1.589 31.245 29.700 -0.073 0.000 1.120 347 E HN 0.096 nan 8.360 nan 0.000 0.397 348 I N 1.274 121.773 120.570 -0.119 0.000 2.433 348 I HA 0.296 4.466 4.170 0.001 0.000 0.292 348 I C -0.481 175.584 176.117 -0.087 0.000 1.001 348 I CA -0.776 60.464 61.300 -0.101 0.000 1.119 348 I CB 2.016 39.943 38.000 -0.120 0.000 1.289 348 I HN 0.334 nan 8.210 nan 0.000 0.438 349 T N 6.130 120.645 114.554 -0.064 0.000 2.767 349 T HA 0.336 4.687 4.350 0.001 0.000 0.284 349 T C -2.341 172.333 174.700 -0.044 0.000 0.973 349 T CA -1.273 60.796 62.100 -0.051 0.000 0.996 349 T CB 1.008 69.854 68.868 -0.037 0.000 0.927 349 T HN 0.284 nan 8.240 nan 0.000 0.456 350 P HA 0.084 nan 4.420 nan 0.000 0.263 350 P C -0.203 177.085 177.300 -0.020 0.000 1.175 350 P CA 0.076 63.158 63.100 -0.029 0.000 0.761 350 P CB 0.338 32.022 31.700 -0.027 0.000 0.794 351 S N 1.587 117.279 115.700 -0.013 0.000 2.568 351 S HA -0.010 4.460 4.470 0.001 0.000 0.282 351 S C 0.597 175.193 174.600 -0.006 0.000 1.338 351 S CA -0.326 57.870 58.200 -0.008 0.000 1.045 351 S CB 0.009 63.209 63.200 0.001 0.000 0.873 351 S HN 0.486 nan 8.310 nan 0.000 0.516 352 C N 4.316 123.613 119.300 -0.005 0.000 3.297 352 C HA 0.204 4.664 4.460 0.001 0.000 0.533 352 C C 1.086 176.076 174.990 -0.001 0.000 1.228 352 C CA -0.326 58.689 59.018 -0.004 0.000 1.402 352 C CB -2.436 25.301 27.740 -0.004 0.000 1.728 352 C HN 0.686 nan 8.230 nan 0.000 0.637 353 R N 0.261 120.761 120.500 0.001 0.000 2.837 353 R HA 0.680 5.021 4.340 0.001 0.000 0.271 353 R C -2.610 173.691 176.300 0.002 0.000 0.993 353 R CA -1.269 54.833 56.100 0.003 0.000 0.931 353 R CB 0.107 30.412 30.300 0.008 0.000 1.206 353 R HN -0.024 nan 8.270 nan 0.000 0.474 354 P HA -0.119 nan 4.420 nan 0.000 0.275 354 P C -0.760 176.537 177.300 -0.006 0.000 1.271 354 P CA 0.190 63.289 63.100 -0.002 0.000 0.861 354 P CB 0.285 31.985 31.700 -0.000 0.000 1.071 355 D N -0.283 120.110 120.400 -0.012 0.000 2.621 355 D HA 0.060 4.700 4.640 0.001 0.000 0.274 355 D C 0.625 176.911 176.300 -0.024 0.000 1.215 355 D CA -0.436 53.550 54.000 -0.023 0.000 0.810 355 D CB 0.139 40.921 40.800 -0.029 0.000 1.248 355 D HN 0.031 nan 8.370 nan 0.000 0.517 356 R N 0.921 121.411 120.500 -0.017 0.000 2.484 356 R HA -0.053 4.288 4.340 0.001 0.000 0.217 356 R C 0.090 176.376 176.300 -0.023 0.000 1.166 356 R CA 0.263 56.355 56.100 -0.013 0.000 1.126 356 R CB -0.981 29.316 30.300 -0.004 0.000 0.801 356 R HN 0.314 nan 8.270 nan 0.000 0.491 357 N N 1.849 120.526 118.700 -0.039 0.000 2.420 357 N HA 0.027 4.767 4.740 0.001 0.000 0.249 357 N C -0.486 175.002 175.510 -0.036 0.000 1.033 357 N CA -0.164 52.855 53.050 -0.052 0.000 0.944 357 N CB 1.169 39.603 38.487 -0.089 0.000 1.113 357 N HN -0.017 nan 8.380 nan 0.000 0.502 358 E N 3.586 123.772 120.200 -0.023 0.000 2.299 358 E HA 0.074 4.425 4.350 0.001 0.000 0.272 358 E C -1.241 175.359 176.600 -0.000 0.000 1.043 358 E CA -1.493 54.908 56.400 0.002 0.000 0.895 358 E CB 0.953 30.669 29.700 0.027 0.000 1.011 358 E HN 0.383 nan 8.360 nan 0.000 0.432 359 P HA -0.210 nan 4.420 nan 0.000 0.218 359 P C 0.853 178.173 177.300 0.032 0.000 1.148 359 P CA 1.328 64.433 63.100 0.008 0.000 0.822 359 P CB 0.246 31.955 31.700 0.016 0.000 0.784 360 H N 0.196 119.246 119.070 -0.034 0.000 2.326 360 H HA -0.000 4.556 4.556 0.001 0.000 0.301 360 H C 2.308 177.617 175.328 -0.033 0.000 1.081 360 H CA 1.478 57.508 56.048 -0.029 0.000 1.334 360 H CB -0.294 29.454 29.762 -0.023 0.000 1.385 360 H HN -0.240 nan 8.280 nan 0.000 0.504 361 R N 0.471 120.919 120.500 -0.087 0.000 2.115 361 R HA -0.069 4.271 4.340 0.001 0.000 0.230 361 R C 2.095 178.305 176.300 -0.149 0.000 1.111 361 R CA 0.816 56.832 56.100 -0.140 0.000 0.976 361 R CB -0.465 29.797 30.300 -0.063 0.000 0.870 361 R HN 0.409 nan 8.270 nan 0.000 0.445 362 I N 0.872 121.370 120.570 -0.120 0.000 2.286 362 I HA -0.241 3.929 4.170 0.001 0.000 0.248 362 I C 2.255 178.295 176.117 -0.128 0.000 1.115 362 I CA 1.143 62.368 61.300 -0.124 0.000 1.392 362 I CB -0.959 36.975 38.000 -0.110 0.000 1.065 362 I HN 0.131 nan 8.210 nan 0.000 0.418 363 Q N 1.264 120.981 119.800 -0.138 0.000 2.016 363 Q HA -0.196 4.145 4.340 0.001 0.000 0.200 363 Q C 2.247 178.167 176.000 -0.134 0.000 0.978 363 Q CA 1.730 57.456 55.803 -0.129 0.000 0.833 363 Q CB -0.285 28.376 28.738 -0.128 0.000 0.895 363 Q HN 0.510 nan 8.270 nan 0.000 0.427 364 Q N -0.266 119.414 119.800 -0.200 0.000 2.156 364 Q HA -0.221 4.120 4.340 0.001 0.000 0.211 364 Q C 2.130 178.111 176.000 -0.033 0.000 0.995 364 Q CA 1.794 57.519 55.803 -0.130 0.000 0.877 364 Q CB -0.434 28.208 28.738 -0.161 0.000 0.920 364 Q HN 0.464 nan 8.270 nan 0.000 0.416 365 I N 0.633 121.158 120.570 -0.075 0.000 2.133 365 I HA -0.270 3.901 4.170 0.001 0.000 0.238 365 I C 2.333 178.421 176.117 -0.049 0.000 1.074 365 I CA 1.035 62.288 61.300 -0.078 0.000 1.342 365 I CB -0.472 37.441 38.000 -0.144 0.000 1.053 365 I HN 0.175 nan 8.210 nan 0.000 0.404 366 L N 1.008 122.188 121.223 -0.071 0.000 2.197 366 L HA -0.266 4.075 4.340 0.001 0.000 0.215 366 L C 2.238 179.096 176.870 -0.019 0.000 1.095 366 L CA 1.266 56.071 54.840 -0.059 0.000 0.764 366 L CB -0.787 41.227 42.059 -0.076 0.000 0.897 366 L HN 0.428 nan 8.230 nan 0.000 0.436 367 N N -1.185 117.515 118.700 0.001 0.000 2.258 367 N HA -0.168 4.573 4.740 0.001 0.000 0.183 367 N C 1.807 177.371 175.510 0.089 0.000 1.029 367 N CA 0.808 53.871 53.050 0.023 0.000 0.857 367 N CB -0.581 37.906 38.487 -0.000 0.000 1.008 367 N HN 0.173 nan 8.380 nan 0.000 0.433 368 Y N 2.357 122.626 120.300 -0.051 0.000 2.181 368 Y HA -0.129 4.421 4.550 0.001 0.000 0.284 368 Y C 2.130 178.015 175.900 -0.025 0.000 1.179 368 Y CA 1.042 59.120 58.100 -0.036 0.000 1.179 368 Y CB -0.601 37.827 38.460 -0.052 0.000 0.973 368 Y HN -0.000 nan 8.280 nan 0.000 0.519 369 I N -0.150 120.530 120.570 0.183 0.000 2.110 369 I HA -0.330 3.840 4.170 0.001 0.000 0.236 369 I C 2.577 178.738 176.117 0.073 0.000 1.068 369 I CA 1.746 63.094 61.300 0.080 0.000 1.333 369 I CB -0.567 37.431 38.000 -0.004 0.000 1.054 369 I HN 0.025 nan 8.210 nan 0.000 0.402 370 K N 0.973 121.399 120.400 0.044 0.000 2.144 370 K HA -0.236 4.084 4.320 0.001 0.000 0.209 370 K C 1.950 178.569 176.600 0.031 0.000 1.047 370 K CA 1.868 58.170 56.287 0.025 0.000 0.927 370 K CB -0.419 32.089 32.500 0.013 0.000 0.716 370 K HN 0.481 nan 8.250 nan 0.000 0.454 371 G N 0.592 109.426 108.800 0.057 0.000 2.524 371 G HA2 -0.284 3.676 3.960 0.001 0.000 0.215 371 G HA3 -0.284 3.676 3.960 0.001 0.000 0.215 371 G C 1.056 175.976 174.900 0.034 0.000 1.239 371 G CA 1.168 46.301 45.100 0.055 0.000 0.798 371 G HN 0.466 nan 8.290 nan 0.000 0.557 372 N N -0.014 118.723 118.700 0.063 0.000 2.091 372 N HA -0.119 4.621 4.740 0.001 0.000 0.193 372 N C 0.724 176.075 175.510 -0.265 0.000 1.021 372 N CA 0.247 53.250 53.050 -0.080 0.000 0.862 372 N CB -0.152 38.531 38.487 0.327 0.000 1.018 372 N HN 0.167 nan 8.380 nan 0.000 0.429 373 L N 1.285 122.470 121.223 -0.062 0.000 2.400 373 L HA 0.044 4.384 4.340 0.001 0.000 0.262 373 L C 0.771 177.605 176.870 -0.060 0.000 1.309 373 L CA 1.037 55.835 54.840 -0.070 0.000 1.186 373 L CB -0.675 41.371 42.059 -0.021 0.000 1.375 373 L HN 0.082 nan 8.230 nan 0.000 0.433 374 K N -0.420 119.933 120.400 -0.078 0.000 2.954 374 K HA 0.075 4.396 4.320 0.001 0.000 0.181 374 K C 1.073 177.688 176.600 0.024 0.000 2.022 374 K CA -0.125 56.163 56.287 0.003 0.000 1.440 374 K CB -0.169 32.365 32.500 0.056 0.000 2.298 374 K HN 0.556 nan 8.250 nan 0.000 0.597 375 H N 1.792 120.679 119.070 -0.304 0.000 2.565 375 H HA 0.014 4.570 4.556 0.001 0.000 0.285 375 H C -0.065 175.186 175.328 -0.129 0.000 1.064 375 H CA 0.410 56.302 56.048 -0.261 0.000 1.196 375 H CB -0.436 29.037 29.762 -0.482 0.000 1.332 375 H HN -0.061 nan 8.280 nan 0.000 0.621 376 V N -0.141 119.743 119.914 -0.049 0.000 2.389 376 V HA 0.170 4.290 4.120 0.001 0.000 0.264 376 V C 0.965 177.077 176.094 0.030 0.000 1.049 376 V CA -0.856 61.385 62.300 -0.098 0.000 0.932 376 V CB 0.261 31.898 31.823 -0.311 0.000 1.011 376 V HN 0.097 nan 8.190 nan 0.000 0.475 377 V N 0.000 119.995 119.914 0.136 0.000 2.409 377 V HA 0.000 4.120 4.120 0.001 0.000 0.244 377 V CA 0.000 62.355 62.300 0.092 0.000 1.235 377 V CB 0.000 31.864 31.823 0.068 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556