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 2hvg_1_A DATA FIRST_RESID 2 DATA SEQUENCE HLKNISPIDG RYKKACGELS AFFSEHALIK HRIIVEVRWL LFLNEEELFF DATA SEQUENCE EKVTDHSVEV LNQIATNITD SDIARVKAIE XXXXHDVKAV EYFVKEKLKN DATA SEQUENCE SKREDLLKIK EYVHYLCTSE DINNVAYATC LKACLNDVVI PCLEKIXLKL DATA SEQUENCE KDLAVEYSHV PLLSRTHGQP ASSTTFGKEX ANFYARIHHH VGVIRRVKVC DATA SEQUENCE AKFNGAVGNF NAHKVASKDT DWVNTIGLFL KKHFNLTYSI YCTQIQDHDY DATA SEQUENCE ICELCDGLAR ANGTLIDLCV DIWLYISNNL LKLKXXXXXX XSSTXPHKVN DATA SEQUENCE PIDFENAEGN LHIANAFFKL FSSKLPTSRL QRDLSDSTVL RNIGSSLAYC DATA SEQUENCE LIAYKSVLKG LNKIDIDRRN LEEELNQNWS TLAEPIQIVX KRHNYVDAYE DATA SEQUENCE ELKQFTRGKV IDQKIXQEFI KTKCAFLPQD VVDQLLELTP ATYTGYADYL DATA SEQUENCE AKNVERLS 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 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.315 175.328 -0.022 0.000 0.993 2 H CA 0.000 56.038 56.048 -0.017 0.000 1.023 2 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 3 L N 1.749 122.862 121.223 -0.183 0.000 2.376 3 L HA 0.044 4.384 4.340 -0.001 0.000 0.219 3 L C 1.911 178.697 176.870 -0.139 0.000 1.133 3 L CA 0.899 55.604 54.840 -0.226 0.000 0.816 3 L CB -0.138 41.853 42.059 -0.113 0.000 0.933 3 L HN 0.102 nan 8.230 nan 0.000 0.449 4 K N -0.340 120.012 120.400 -0.080 0.000 2.444 4 K HA 0.069 4.389 4.320 -0.001 0.000 0.193 4 K C 0.057 176.629 176.600 -0.046 0.000 1.024 4 K CA -0.238 56.019 56.287 -0.050 0.000 1.077 4 K CB 0.065 32.552 32.500 -0.022 0.000 0.833 4 K HN 0.233 nan 8.250 nan 0.000 0.517 5 N N 1.333 119.994 118.700 -0.065 0.000 2.492 5 N HA 0.011 4.750 4.740 -0.001 0.000 0.262 5 N C 1.021 176.503 175.510 -0.047 0.000 1.202 5 N CA 0.253 53.278 53.050 -0.043 0.000 0.926 5 N CB 0.712 39.178 38.487 -0.034 0.000 1.078 5 N HN -0.009 nan 8.380 nan 0.000 0.454 6 I N -0.261 120.298 120.570 -0.017 0.000 2.333 6 I HA -0.089 4.080 4.170 -0.001 0.000 0.246 6 I C 1.244 177.364 176.117 0.004 0.000 1.106 6 I CA 0.695 61.990 61.300 -0.007 0.000 1.411 6 I CB -0.085 37.921 38.000 0.010 0.000 1.082 6 I HN 0.351 nan 8.210 nan 0.000 0.420 7 S N 1.861 117.573 115.700 0.020 0.000 2.528 7 S HA 0.161 4.630 4.470 -0.001 0.000 0.277 7 S C -1.387 173.217 174.600 0.008 0.000 1.297 7 S CA -1.469 56.759 58.200 0.047 0.000 1.052 7 S CB 0.736 63.970 63.200 0.057 0.000 0.917 7 S HN -0.015 nan 8.310 nan 0.000 0.492 8 P HA -0.059 nan 4.420 nan 0.000 0.226 8 P C 1.498 178.792 177.300 -0.010 0.000 1.153 8 P CA 0.467 63.531 63.100 -0.059 0.000 0.777 8 P CB -0.037 31.655 31.700 -0.013 0.000 0.794 9 I N 1.288 121.852 120.570 -0.009 0.000 2.127 9 I HA -0.192 3.977 4.170 -0.001 0.000 0.241 9 I C 1.397 177.509 176.117 -0.009 0.000 1.075 9 I CA 1.758 63.010 61.300 -0.081 0.000 1.334 9 I CB -1.410 36.460 38.000 -0.218 0.000 1.040 9 I HN 0.034 nan 8.210 nan 0.000 0.405 10 D N -0.048 120.354 120.400 0.004 0.000 2.340 10 D HA 0.140 4.779 4.640 -0.001 0.000 0.217 10 D C 1.499 177.844 176.300 0.075 0.000 1.081 10 D CA 0.394 54.422 54.000 0.048 0.000 0.842 10 D CB 0.740 41.566 40.800 0.043 0.000 0.934 10 D HN 0.337 nan 8.370 nan 0.000 0.511 11 G N 1.560 110.350 108.800 -0.017 0.000 2.968 11 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.206 11 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.206 11 G C 1.316 176.131 174.900 -0.143 0.000 2.051 11 G CA -0.108 44.898 45.100 -0.157 0.000 0.773 11 G HN 0.140 nan 8.290 nan 0.000 0.741 12 R N -0.924 119.412 120.500 -0.274 0.000 2.189 12 R HA 0.081 4.421 4.340 -0.001 0.000 0.218 12 R C 1.389 177.561 176.300 -0.213 0.000 1.074 12 R CA 1.377 57.296 56.100 -0.302 0.000 0.991 12 R CB -0.474 29.552 30.300 -0.456 0.000 0.883 12 R HN 0.411 nan 8.270 nan 0.000 0.457 13 Y N 0.577 120.891 120.300 0.023 0.000 2.493 13 Y HA 0.283 4.832 4.550 -0.001 0.000 0.275 13 Y C 1.626 177.528 175.900 0.004 0.000 1.183 13 Y CA -0.723 57.378 58.100 0.003 0.000 1.258 13 Y CB 0.076 38.514 38.460 -0.036 0.000 1.108 13 Y HN -0.003 nan 8.280 nan 0.000 0.521 14 K N 1.954 122.445 120.400 0.151 0.000 2.044 14 K HA -0.242 4.078 4.320 -0.001 0.000 0.210 14 K C 2.231 178.866 176.600 0.058 0.000 1.049 14 K CA 2.326 58.673 56.287 0.101 0.000 0.927 14 K CB -0.137 32.437 32.500 0.122 0.000 0.713 14 K HN 0.194 nan 8.250 nan 0.000 0.443 15 K N -0.943 119.493 120.400 0.061 0.000 2.148 15 K HA 0.114 4.434 4.320 -0.001 0.000 0.204 15 K C 2.261 178.886 176.600 0.042 0.000 1.050 15 K CA 1.075 57.383 56.287 0.034 0.000 0.942 15 K CB -1.317 31.201 32.500 0.031 0.000 0.724 15 K HN 0.340 nan 8.250 nan 0.000 0.446 16 A N 0.606 123.465 122.820 0.065 0.000 2.066 16 A HA 0.055 4.375 4.320 -0.001 0.000 0.218 16 A C 2.343 179.938 177.584 0.017 0.000 1.157 16 A CA 1.133 53.194 52.037 0.040 0.000 0.670 16 A CB -0.867 18.156 19.000 0.038 0.000 0.804 16 A HN 1.033 nan 8.150 nan 0.000 0.453 17 C N -4.026 115.287 119.300 0.022 0.000 3.525 17 C HA 0.550 5.010 4.460 -0.001 0.000 0.289 17 C C 2.121 177.127 174.990 0.026 0.000 1.496 17 C CA -0.037 58.984 59.018 0.004 0.000 1.804 17 C CB -0.544 27.169 27.740 -0.046 0.000 2.708 17 C HN 0.435 nan 8.230 nan 0.000 0.642 18 G N 2.406 111.221 108.800 0.025 0.000 2.450 18 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.220 18 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.220 18 G C 1.647 176.563 174.900 0.026 0.000 1.130 18 G CA 1.324 46.433 45.100 0.016 0.000 0.760 18 G HN 0.818 nan 8.290 nan 0.000 0.557 19 E N 0.846 121.077 120.200 0.052 0.000 2.472 19 E HA -0.042 4.307 4.350 -0.001 0.000 0.200 19 E C 2.098 178.802 176.600 0.174 0.000 1.046 19 E CA 0.319 56.769 56.400 0.083 0.000 0.871 19 E CB -0.381 29.383 29.700 0.106 0.000 0.806 19 E HN 0.486 nan 8.360 nan 0.000 0.533 20 L N 1.122 122.455 121.223 0.184 0.000 2.313 20 L HA -0.046 4.294 4.340 -0.001 0.000 0.214 20 L C 2.707 179.717 176.870 0.233 0.000 1.119 20 L CA 0.807 55.835 54.840 0.313 0.000 0.809 20 L CB -0.357 41.854 42.059 0.252 0.000 0.933 20 L HN 0.152 nan 8.230 nan 0.000 0.449 21 S N 0.642 116.392 115.700 0.083 0.000 2.400 21 S HA -0.230 4.240 4.470 -0.001 0.000 0.232 21 S C 2.152 176.693 174.600 -0.099 0.000 1.025 21 S CA 1.281 59.483 58.200 0.003 0.000 0.993 21 S CB -0.036 63.134 63.200 -0.050 0.000 0.808 21 S HN 0.447 nan 8.310 nan 0.000 0.478 22 A N -0.266 122.418 122.820 -0.226 0.000 2.019 22 A HA 0.095 4.414 4.320 -0.001 0.000 0.219 22 A C 1.642 178.837 177.584 -0.649 0.000 1.164 22 A CA 1.436 53.190 52.037 -0.473 0.000 0.644 22 A CB -0.651 17.925 19.000 -0.707 0.000 0.805 22 A HN 0.687 nan 8.150 nan 0.000 0.449 23 F N -3.023 116.793 119.950 -0.223 0.000 2.602 23 F HA 0.377 4.904 4.527 -0.001 0.000 0.284 23 F C -0.140 175.097 175.800 -0.938 0.000 1.111 23 F CA -0.221 57.389 58.000 -0.651 0.000 1.405 23 F CB 0.382 38.892 39.000 -0.816 0.000 1.121 23 F HN 0.024 nan 8.300 nan 0.000 0.603 24 F N 1.002 121.014 119.950 0.103 0.000 2.716 24 F HA 0.556 5.083 4.527 -0.001 0.000 0.354 24 F C -0.144 175.669 175.800 0.022 0.000 1.168 24 F CA -1.143 56.880 58.000 0.038 0.000 1.045 24 F CB 1.349 40.384 39.000 0.059 0.000 1.311 24 F HN -0.101 nan 8.300 nan 0.000 0.477 25 S N 0.220 116.005 115.700 0.141 0.000 2.688 25 S HA 0.212 4.682 4.470 -0.001 0.000 0.269 25 S C 0.181 174.828 174.600 0.078 0.000 1.060 25 S CA -1.087 57.175 58.200 0.104 0.000 0.844 25 S CB 1.328 64.576 63.200 0.079 0.000 1.095 25 S HN 0.488 nan 8.310 nan 0.000 0.466 26 E N 0.119 120.363 120.200 0.074 0.000 2.085 26 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 26 E C 1.707 178.330 176.600 0.039 0.000 0.994 26 E CA 1.454 57.882 56.400 0.047 0.000 0.801 26 E CB -0.282 29.442 29.700 0.039 0.000 0.743 26 E HN 0.662 nan 8.360 nan 0.000 0.453 27 H N 0.503 119.556 119.070 -0.029 0.000 2.290 27 H HA -0.107 4.449 4.556 -0.001 0.000 0.298 27 H C 1.909 177.211 175.328 -0.043 0.000 1.087 27 H CA 1.938 57.958 56.048 -0.046 0.000 1.291 27 H CB -0.107 29.626 29.762 -0.047 0.000 1.369 27 H HN 0.164 nan 8.280 nan 0.000 0.492 28 A N 0.994 123.939 122.820 0.209 0.000 1.972 28 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 28 A C 2.602 180.245 177.584 0.098 0.000 1.169 28 A CA 1.488 53.614 52.037 0.148 0.000 0.635 28 A CB -0.741 18.255 19.000 -0.007 0.000 0.810 28 A HN 0.436 nan 8.150 nan 0.000 0.446 29 L N -0.245 120.972 121.223 -0.010 0.000 2.068 29 L HA 0.027 4.366 4.340 -0.001 0.000 0.204 29 L C 2.208 179.060 176.870 -0.029 0.000 1.076 29 L CA 1.484 56.285 54.840 -0.065 0.000 0.753 29 L CB -0.401 41.609 42.059 -0.082 0.000 0.910 29 L HN 0.412 nan 8.230 nan 0.000 0.439 30 I N -0.316 120.214 120.570 -0.068 0.000 2.226 30 I HA -0.330 3.839 4.170 -0.001 0.000 0.245 30 I C 2.557 178.591 176.117 -0.138 0.000 1.100 30 I CA 1.586 62.816 61.300 -0.117 0.000 1.374 30 I CB -0.415 37.469 38.000 -0.193 0.000 1.057 30 I HN 0.342 nan 8.210 nan 0.000 0.413 31 K N 0.553 120.852 120.400 -0.169 0.000 2.026 31 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 31 K C 2.079 178.578 176.600 -0.169 0.000 1.048 31 K CA 1.867 58.028 56.287 -0.211 0.000 0.929 31 K CB -0.125 32.228 32.500 -0.244 0.000 0.713 31 K HN 0.360 nan 8.250 nan 0.000 0.439 32 H N -0.415 118.618 119.070 -0.061 0.000 2.470 32 H HA 0.085 4.641 4.556 -0.001 0.000 0.289 32 H C 1.997 177.351 175.328 0.044 0.000 1.033 32 H CA 1.055 57.101 56.048 -0.004 0.000 1.331 32 H CB 0.228 29.965 29.762 -0.041 0.000 1.414 32 H HN 0.170 nan 8.280 nan 0.000 0.545 33 R N -0.001 120.569 120.500 0.116 0.000 2.092 33 R HA -0.060 4.280 4.340 -0.001 0.000 0.231 33 R C 1.952 178.345 176.300 0.155 0.000 1.119 33 R CA 1.319 57.497 56.100 0.129 0.000 0.970 33 R CB -0.191 30.164 30.300 0.091 0.000 0.864 33 R HN 0.294 nan 8.270 nan 0.000 0.440 34 I N 0.574 121.202 120.570 0.096 0.000 2.163 34 I HA -0.312 3.858 4.170 -0.001 0.000 0.243 34 I C 2.181 178.405 176.117 0.179 0.000 1.085 34 I CA 1.471 62.854 61.300 0.138 0.000 1.347 34 I CB -0.296 37.742 38.000 0.062 0.000 1.044 34 I HN 0.119 nan 8.210 nan 0.000 0.408 35 I N 0.068 120.716 120.570 0.130 0.000 2.208 35 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 35 I C 2.465 178.775 176.117 0.322 0.000 1.097 35 I CA 1.309 62.714 61.300 0.174 0.000 1.363 35 I CB -0.363 37.700 38.000 0.105 0.000 1.051 35 I HN 0.051 nan 8.210 nan 0.000 0.413 36 V N 0.279 120.410 119.914 0.362 0.000 2.307 36 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 36 V C 2.460 178.873 176.094 0.533 0.000 1.045 36 V CA 1.636 64.233 62.300 0.495 0.000 1.024 36 V CB -0.641 31.373 31.823 0.319 0.000 0.651 36 V HN 0.383 nan 8.190 nan 0.000 0.449 37 E N 0.212 120.671 120.200 0.430 0.000 2.077 37 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 37 E C 2.343 179.197 176.600 0.423 0.000 0.989 37 E CA 1.318 57.991 56.400 0.456 0.000 0.800 37 E CB -0.414 29.507 29.700 0.367 0.000 0.746 37 E HN 0.482 nan 8.360 nan 0.000 0.452 38 V N 1.392 121.502 119.914 0.327 0.000 2.295 38 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 38 V C 2.391 178.633 176.094 0.248 0.000 1.049 38 V CA 1.762 64.212 62.300 0.249 0.000 1.024 38 V CB -0.415 31.521 31.823 0.189 0.000 0.648 38 V HN 0.187 nan 8.190 nan 0.000 0.447 39 R N -1.261 119.412 120.500 0.288 0.000 2.115 39 R HA -0.158 4.182 4.340 -0.001 0.000 0.226 39 R C 2.216 178.713 176.300 0.327 0.000 1.100 39 R CA 1.509 57.724 56.100 0.191 0.000 0.980 39 R CB -0.349 29.985 30.300 0.058 0.000 0.875 39 R HN 0.725 nan 8.270 nan 0.000 0.445 40 W N 1.252 122.729 121.300 0.294 0.000 2.335 40 W HA -0.240 4.420 4.660 0.000 0.000 0.311 40 W C 1.589 178.202 176.519 0.158 0.000 1.213 40 W CA 0.801 58.195 57.345 0.082 0.000 1.274 40 W CB -0.102 29.480 29.460 0.203 0.000 1.148 40 W HN 0.095 nan 8.180 nan 0.000 0.498 41 L N 1.268 122.599 121.223 0.181 0.000 2.093 41 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 41 L C 2.467 179.375 176.870 0.064 0.000 1.085 41 L CA 1.750 56.637 54.840 0.079 0.000 0.755 41 L CB -1.171 40.989 42.059 0.169 0.000 0.904 41 L HN -0.022 nan 8.230 nan 0.000 0.435 42 L N -1.924 119.349 121.223 0.083 0.000 2.083 42 L HA -0.249 4.091 4.340 -0.001 0.000 0.209 42 L C 2.381 179.274 176.870 0.037 0.000 1.083 42 L CA 1.415 56.298 54.840 0.071 0.000 0.752 42 L CB -0.609 41.509 42.059 0.099 0.000 0.899 42 L HN 0.301 nan 8.230 nan 0.000 0.433 43 F N 0.313 120.147 119.950 -0.193 0.000 2.128 43 F HA -0.148 4.378 4.527 -0.001 0.000 0.295 43 F C 2.173 177.803 175.800 -0.283 0.000 1.100 43 F CA 1.306 59.202 58.000 -0.173 0.000 1.260 43 F CB -0.133 38.781 39.000 -0.144 0.000 1.009 43 F HN -0.153 nan 8.300 nan 0.000 0.476 44 L N 0.317 121.263 121.223 -0.461 0.000 2.079 44 L HA -0.268 4.072 4.340 -0.001 0.000 0.210 44 L C 2.198 178.674 176.870 -0.657 0.000 1.081 44 L CA 1.813 56.291 54.840 -0.605 0.000 0.752 44 L CB -0.931 40.852 42.059 -0.461 0.000 0.896 44 L HN 0.270 nan 8.230 nan 0.000 0.433 45 N N 0.343 118.846 118.700 -0.329 0.000 2.120 45 N HA -0.242 4.497 4.740 -0.001 0.000 0.188 45 N C 1.809 177.155 175.510 -0.274 0.000 1.024 45 N CA 1.536 54.465 53.050 -0.201 0.000 0.852 45 N CB 0.039 38.609 38.487 0.139 0.000 1.003 45 N HN 0.468 nan 8.380 nan 0.000 0.424 46 E N -0.750 119.294 120.200 -0.260 0.000 2.274 46 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 46 E C 0.914 177.294 176.600 -0.367 0.000 0.996 46 E CA 0.805 57.062 56.400 -0.237 0.000 0.840 46 E CB -0.059 29.575 29.700 -0.110 0.000 0.772 46 E HN 0.363 nan 8.360 nan 0.000 0.491 47 E N 1.047 120.900 120.200 -0.579 0.000 2.318 47 E HA -0.020 4.330 4.350 -0.001 0.000 0.193 47 E C 0.016 176.288 176.600 -0.548 0.000 0.998 47 E CA 0.294 56.326 56.400 -0.613 0.000 0.859 47 E CB 0.104 29.291 29.700 -0.855 0.000 0.812 47 E HN 0.330 nan 8.360 nan 0.000 0.492 48 E N 0.121 119.954 120.200 -0.612 0.000 2.389 48 E HA -0.225 4.124 4.350 -0.001 0.000 0.243 48 E C 0.704 176.906 176.600 -0.662 0.000 1.154 48 E CA 0.041 56.068 56.400 -0.620 0.000 0.723 48 E CB -1.700 27.768 29.700 -0.386 0.000 1.261 48 E HN 0.211 nan 8.360 nan 0.000 0.390 49 L N -1.253 119.455 121.223 -0.859 0.000 2.156 49 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 49 L C 1.650 177.856 176.870 -1.107 0.000 1.095 49 L CA 1.276 55.486 54.840 -1.050 0.000 0.770 49 L CB -0.054 41.183 42.059 -1.370 0.000 0.914 49 L HN 0.212 nan 8.230 nan 0.000 0.439 50 F N -2.131 117.521 119.950 -0.497 0.000 2.880 50 F HA 0.256 4.783 4.527 -0.000 0.000 0.346 50 F C 0.158 175.795 175.800 -0.272 0.000 1.054 50 F CA -1.017 56.782 58.000 -0.335 0.000 1.151 50 F CB 0.430 39.210 39.000 -0.366 0.000 1.066 50 F HN -0.133 nan 8.300 nan 0.000 0.566 51 F N -1.870 117.945 119.950 -0.226 0.000 2.711 51 F HA 0.629 5.156 4.527 -0.001 0.000 0.313 51 F C -0.563 175.142 175.800 -0.158 0.000 1.141 51 F CA -1.891 56.004 58.000 -0.176 0.000 0.941 51 F CB 0.665 39.536 39.000 -0.214 0.000 1.349 51 F HN -0.260 nan 8.300 nan 0.000 0.464 52 E N -0.602 119.678 120.200 0.133 0.000 2.313 52 E HA 0.464 4.814 4.350 -0.001 0.000 0.272 52 E C -0.515 176.161 176.600 0.126 0.000 1.038 52 E CA -0.768 55.654 56.400 0.036 0.000 0.863 52 E CB 0.922 30.634 29.700 0.021 0.000 1.060 52 E HN 0.942 nan 8.360 nan 0.000 0.402 53 K N 0.698 121.111 120.400 0.021 0.000 2.484 53 K HA 0.176 4.495 4.320 -0.001 0.000 0.280 53 K C 0.799 177.443 176.600 0.074 0.000 1.013 53 K CA -0.158 56.157 56.287 0.047 0.000 1.029 53 K CB -0.557 31.928 32.500 -0.025 0.000 0.902 53 K HN 1.303 nan 8.250 nan 0.000 0.481 54 V N -0.538 119.433 119.914 0.094 0.000 3.441 54 V HA 0.330 4.449 4.120 -0.001 0.000 0.300 54 V C 1.039 177.154 176.094 0.036 0.000 1.091 54 V CA -0.110 62.220 62.300 0.050 0.000 1.099 54 V CB 0.748 32.589 31.823 0.030 0.000 1.138 54 V HN 1.124 nan 8.190 nan 0.000 0.471 55 T N -0.012 114.563 114.554 0.035 0.000 2.856 55 T HA 0.069 4.419 4.350 -0.001 0.000 0.306 55 T C 0.776 175.506 174.700 0.049 0.000 1.062 55 T CA 0.557 62.683 62.100 0.042 0.000 1.083 55 T CB 0.301 69.202 68.868 0.055 0.000 0.984 55 T HN 0.903 nan 8.240 nan 0.000 0.542 56 D N 0.656 121.086 120.400 0.050 0.000 2.221 56 D HA -0.121 4.519 4.640 -0.001 0.000 0.204 56 D C 1.563 177.900 176.300 0.061 0.000 0.982 56 D CA 1.267 55.295 54.000 0.046 0.000 0.857 56 D CB -0.250 40.575 40.800 0.043 0.000 0.934 56 D HN 0.705 nan 8.370 nan 0.000 0.475 57 H N -0.280 118.791 119.070 0.002 0.000 2.436 57 H HA 0.129 4.685 4.556 -0.001 0.000 0.294 57 H C 1.686 177.015 175.328 0.002 0.000 1.048 57 H CA 0.896 56.945 56.048 0.002 0.000 1.353 57 H CB 0.485 30.246 29.762 -0.002 0.000 1.414 57 H HN -0.020 nan 8.280 nan 0.000 0.536 58 S N -0.036 115.685 115.700 0.035 0.000 2.387 58 S HA -0.096 4.373 4.470 -0.001 0.000 0.226 58 S C 2.241 176.817 174.600 -0.040 0.000 1.026 58 S CA 0.823 59.019 58.200 -0.008 0.000 0.972 58 S CB -0.211 63.004 63.200 0.026 0.000 0.814 58 S HN 0.389 nan 8.310 nan 0.000 0.477 59 V N 1.643 121.546 119.914 -0.019 0.000 2.343 59 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 59 V C 2.147 178.216 176.094 -0.041 0.000 1.051 59 V CA 2.557 64.851 62.300 -0.009 0.000 1.036 59 V CB -0.554 31.278 31.823 0.015 0.000 0.654 59 V HN 0.476 nan 8.190 nan 0.000 0.451 60 E N -0.132 120.012 120.200 -0.093 0.000 2.085 60 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 60 E C 2.000 178.508 176.600 -0.152 0.000 0.994 60 E CA 2.105 58.427 56.400 -0.130 0.000 0.801 60 E CB -0.362 29.224 29.700 -0.190 0.000 0.743 60 E HN 0.544 nan 8.360 nan 0.000 0.453 61 V N 0.566 120.355 119.914 -0.209 0.000 2.427 61 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 61 V C 2.279 178.334 176.094 -0.065 0.000 1.051 61 V CA 1.431 63.644 62.300 -0.146 0.000 1.048 61 V CB -0.510 31.224 31.823 -0.148 0.000 0.666 61 V HN 0.336 nan 8.190 nan 0.000 0.456 62 L N 1.176 122.373 121.223 -0.044 0.000 1.994 62 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 62 L C 2.157 179.039 176.870 0.020 0.000 1.071 62 L CA 2.436 57.274 54.840 -0.003 0.000 0.745 62 L CB -1.147 40.921 42.059 0.015 0.000 0.892 62 L HN 0.385 nan 8.230 nan 0.000 0.431 63 N N -0.636 118.073 118.700 0.015 0.000 2.149 63 N HA -0.255 4.485 4.740 -0.001 0.000 0.188 63 N C 1.926 177.450 175.510 0.023 0.000 1.019 63 N CA 1.607 54.675 53.050 0.029 0.000 0.857 63 N CB -0.153 38.346 38.487 0.020 0.000 0.997 63 N HN 0.547 nan 8.380 nan 0.000 0.426 64 Q N -0.506 119.295 119.800 0.001 0.000 2.226 64 Q HA -0.036 4.304 4.340 -0.001 0.000 0.204 64 Q C 1.845 177.862 176.000 0.028 0.000 0.975 64 Q CA 1.005 56.811 55.803 0.004 0.000 0.866 64 Q CB -0.039 28.688 28.738 -0.019 0.000 0.915 64 Q HN 0.542 nan 8.270 nan 0.000 0.440 65 I N -0.101 120.493 120.570 0.039 0.000 2.361 65 I HA -0.255 3.915 4.170 -0.001 0.000 0.251 65 I C 2.177 178.365 176.117 0.118 0.000 1.133 65 I CA 1.056 62.406 61.300 0.083 0.000 1.413 65 I CB -0.255 37.787 38.000 0.070 0.000 1.073 65 I HN 0.135 nan 8.210 nan 0.000 0.424 66 A N 0.371 123.244 122.820 0.088 0.000 2.021 66 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 66 A C 2.376 179.978 177.584 0.031 0.000 1.163 66 A CA 1.596 53.676 52.037 0.072 0.000 0.676 66 A CB -0.739 18.311 19.000 0.083 0.000 0.818 66 A HN 0.486 nan 8.150 nan 0.000 0.453 67 T N -3.641 110.930 114.554 0.028 0.000 3.031 67 T HA 0.191 4.541 4.350 -0.001 0.000 0.254 67 T C 0.897 175.602 174.700 0.008 0.000 1.060 67 T CA 0.934 63.040 62.100 0.011 0.000 1.135 67 T CB -0.851 68.023 68.868 0.010 0.000 0.896 67 T HN 0.525 nan 8.240 nan 0.000 0.472 68 N N 1.320 120.033 118.700 0.022 0.000 3.091 68 N HA 0.592 5.331 4.740 -0.001 0.000 0.255 68 N C -0.435 175.097 175.510 0.036 0.000 1.204 68 N CA -0.579 52.485 53.050 0.024 0.000 0.990 68 N CB -0.550 37.954 38.487 0.028 0.000 1.260 68 N HN 0.589 nan 8.380 nan 0.000 0.502 69 I N 1.961 122.538 120.570 0.010 0.000 2.307 69 I HA 0.306 4.476 4.170 -0.001 0.000 0.289 69 I C 0.758 176.869 176.117 -0.011 0.000 1.021 69 I CA -0.613 60.681 61.300 -0.010 0.000 1.224 69 I CB 1.371 39.329 38.000 -0.070 0.000 1.376 69 I HN 0.512 nan 8.210 nan 0.000 0.470 70 T N -0.349 114.206 114.554 0.002 0.000 2.948 70 T HA 0.289 4.638 4.350 -0.001 0.000 0.285 70 T C 0.661 175.370 174.700 0.015 0.000 1.019 70 T CA -0.713 61.401 62.100 0.024 0.000 1.013 70 T CB 1.857 70.745 68.868 0.034 0.000 1.117 70 T HN 0.386 nan 8.240 nan 0.000 0.533 71 D N 0.467 120.903 120.400 0.061 0.000 2.182 71 D HA -0.088 4.552 4.640 -0.001 0.000 0.201 71 D C 2.090 178.398 176.300 0.012 0.000 0.986 71 D CA 1.427 55.467 54.000 0.067 0.000 0.847 71 D CB -0.311 40.531 40.800 0.070 0.000 0.942 71 D HN 0.553 nan 8.370 nan 0.000 0.467 72 S N -0.308 115.401 115.700 0.016 0.000 2.406 72 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 72 S C 1.424 176.034 174.600 0.017 0.000 1.020 72 S CA 0.833 59.045 58.200 0.021 0.000 0.965 72 S CB -0.049 63.174 63.200 0.039 0.000 0.798 72 S HN 0.071 nan 8.310 nan 0.000 0.488 73 D N 1.643 122.046 120.400 0.005 0.000 2.097 73 D HA -0.073 4.566 4.640 -0.001 0.000 0.195 73 D C 1.988 178.090 176.300 -0.330 0.000 0.989 73 D CA 1.065 55.026 54.000 -0.064 0.000 0.827 73 D CB -0.279 40.506 40.800 -0.026 0.000 0.966 73 D HN 0.383 nan 8.370 nan 0.000 0.456 74 I N 1.201 121.604 120.570 -0.278 0.000 2.226 74 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 74 I C 2.510 178.520 176.117 -0.179 0.000 1.100 74 I CA 0.681 61.800 61.300 -0.302 0.000 1.374 74 I CB -1.298 36.501 38.000 -0.335 0.000 1.057 74 I HN -0.121 nan 8.210 nan 0.000 0.413 75 A N 1.028 123.791 122.820 -0.094 0.000 1.940 75 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 75 A C 2.461 180.022 177.584 -0.038 0.000 1.176 75 A CA 2.041 54.051 52.037 -0.045 0.000 0.631 75 A CB -0.600 18.393 19.000 -0.011 0.000 0.814 75 A HN 0.316 nan 8.150 nan 0.000 0.446 76 R N -0.303 120.183 120.500 -0.024 0.000 2.092 76 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 76 R C 1.789 178.095 176.300 0.011 0.000 1.119 76 R CA 1.808 57.932 56.100 0.041 0.000 0.970 76 R CB -0.814 29.594 30.300 0.180 0.000 0.864 76 R HN 0.274 nan 8.270 nan 0.000 0.440 77 V N 0.987 120.832 119.914 -0.115 0.000 2.270 77 V HA -0.193 3.927 4.120 -0.001 0.000 0.245 77 V C 2.698 178.739 176.094 -0.088 0.000 1.043 77 V CA 2.603 64.828 62.300 -0.125 0.000 1.014 77 V CB -1.044 30.613 31.823 -0.278 0.000 0.645 77 V HN 0.602 nan 8.190 nan 0.000 0.447 78 K N 0.303 120.646 120.400 -0.095 0.000 2.152 78 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 78 K C 2.220 178.780 176.600 -0.066 0.000 1.048 78 K CA 1.877 58.119 56.287 -0.075 0.000 0.933 78 K CB -1.244 31.221 32.500 -0.058 0.000 0.721 78 K HN 0.623 nan 8.250 nan 0.000 0.447 79 A N 0.771 123.561 122.820 -0.050 0.000 1.933 79 A HA 0.038 4.357 4.320 -0.001 0.000 0.218 79 A C 2.362 179.908 177.584 -0.063 0.000 1.175 79 A CA 1.538 53.550 52.037 -0.042 0.000 0.628 79 A CB -0.291 18.698 19.000 -0.019 0.000 0.814 79 A HN 0.528 nan 8.150 nan 0.000 0.444 80 I N -0.562 119.966 120.570 -0.070 0.000 2.761 80 I HA -0.062 4.107 4.170 -0.001 0.000 0.261 80 I C 1.206 177.214 176.117 -0.182 0.000 1.198 80 I CA 0.154 61.386 61.300 -0.114 0.000 1.482 80 I CB -0.203 37.755 38.000 -0.071 0.000 1.100 80 I HN 0.363 nan 8.210 nan 0.000 0.445 87 D N 0.811 121.270 120.400 0.098 0.000 2.084 87 D HA -0.100 4.539 4.640 -0.001 0.000 0.199 87 D C 2.133 178.454 176.300 0.035 0.000 0.981 87 D CA 2.026 56.049 54.000 0.038 0.000 0.841 87 D CB -0.091 40.745 40.800 0.060 0.000 0.997 87 D HN 0.312 nan 8.370 nan 0.000 0.454 88 V N -0.524 119.420 119.914 0.050 0.000 3.041 88 V HA 0.020 4.139 4.120 -0.001 0.000 0.260 88 V C 2.020 178.110 176.094 -0.007 0.000 1.105 88 V CA 1.101 63.422 62.300 0.035 0.000 1.125 88 V CB -0.211 31.648 31.823 0.059 0.000 0.730 88 V HN -0.077 nan 8.190 nan 0.000 0.479 89 K N 1.836 122.246 120.400 0.018 0.000 2.097 89 K HA 0.090 4.409 4.320 -0.001 0.000 0.206 89 K C 2.100 178.837 176.600 0.229 0.000 1.049 89 K CA 1.860 58.184 56.287 0.062 0.000 0.933 89 K CB -0.859 31.736 32.500 0.160 0.000 0.717 89 K HN 0.563 nan 8.250 nan 0.000 0.442 90 A N -0.008 122.913 122.820 0.169 0.000 1.902 90 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 90 A C 2.291 179.991 177.584 0.193 0.000 1.181 90 A CA 1.755 53.889 52.037 0.162 0.000 0.623 90 A CB -0.752 18.248 19.000 0.001 0.000 0.818 90 A HN 0.116 nan 8.150 nan 0.000 0.443 91 V N 0.089 120.078 119.914 0.124 0.000 2.295 91 V HA -0.301 3.819 4.120 -0.001 0.000 0.246 91 V C 2.552 178.776 176.094 0.217 0.000 1.049 91 V CA 2.406 64.796 62.300 0.150 0.000 1.024 91 V CB -0.736 31.144 31.823 0.095 0.000 0.648 91 V HN 0.800 nan 8.190 nan 0.000 0.447 92 E N -0.783 119.489 120.200 0.121 0.000 2.070 92 E HA -0.279 4.070 4.350 -0.001 0.000 0.197 92 E C 2.179 178.815 176.600 0.061 0.000 1.004 92 E CA 2.002 58.435 56.400 0.057 0.000 0.805 92 E CB -0.316 29.308 29.700 -0.127 0.000 0.744 92 E HN 0.714 nan 8.360 nan 0.000 0.451 93 Y N -0.578 119.766 120.300 0.072 0.000 2.165 93 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 93 Y C 2.148 178.105 175.900 0.095 0.000 1.155 93 Y CA 1.633 59.773 58.100 0.067 0.000 1.164 93 Y CB -0.360 38.135 38.460 0.058 0.000 0.978 93 Y HN 0.223 nan 8.280 nan 0.000 0.513 94 F N -0.260 119.787 119.950 0.163 0.000 2.134 94 F HA -0.225 4.301 4.527 -0.001 0.000 0.299 94 F C 2.021 177.864 175.800 0.071 0.000 1.097 94 F CA 1.404 59.460 58.000 0.092 0.000 1.264 94 F CB -0.614 38.421 39.000 0.058 0.000 1.001 94 F HN -0.202 nan 8.300 nan 0.000 0.479 95 V N 0.908 120.880 119.914 0.096 0.000 2.307 95 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 95 V C 2.410 178.458 176.094 -0.075 0.000 1.045 95 V CA 2.068 64.360 62.300 -0.013 0.000 1.024 95 V CB -0.751 31.163 31.823 0.153 0.000 0.651 95 V HN 0.257 nan 8.190 nan 0.000 0.449 96 K N 0.015 120.402 120.400 -0.022 0.000 2.032 96 K HA -0.278 4.041 4.320 -0.001 0.000 0.209 96 K C 2.241 178.804 176.600 -0.062 0.000 1.048 96 K CA 1.999 58.263 56.287 -0.038 0.000 0.927 96 K CB -0.244 32.231 32.500 -0.041 0.000 0.712 96 K HN 0.571 nan 8.250 nan 0.000 0.441 97 E N 1.216 121.376 120.200 -0.066 0.000 2.085 97 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 97 E C 1.923 178.431 176.600 -0.154 0.000 0.994 97 E CA 1.487 57.836 56.400 -0.086 0.000 0.801 97 E CB 0.122 29.780 29.700 -0.070 0.000 0.743 97 E HN 0.035 nan 8.360 nan 0.000 0.453 98 K N -0.013 120.226 120.400 -0.269 0.000 2.217 98 K HA -0.003 4.317 4.320 -0.001 0.000 0.202 98 K C 1.974 178.486 176.600 -0.147 0.000 1.051 98 K CA 0.562 56.688 56.287 -0.270 0.000 0.952 98 K CB 0.076 32.311 32.500 -0.441 0.000 0.736 98 K HN 0.152 nan 8.250 nan 0.000 0.453 99 L N 0.209 121.362 121.223 -0.117 0.000 2.179 99 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 99 L C 2.410 179.243 176.870 -0.062 0.000 1.096 99 L CA 0.984 55.780 54.840 -0.074 0.000 0.779 99 L CB -0.281 41.743 42.059 -0.059 0.000 0.922 99 L HN 0.150 nan 8.230 nan 0.000 0.443 100 K N 0.456 120.818 120.400 -0.062 0.000 2.062 100 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 100 K C 1.470 178.045 176.600 -0.041 0.000 1.051 100 K CA 1.279 57.538 56.287 -0.047 0.000 0.941 100 K CB 0.086 32.563 32.500 -0.038 0.000 0.719 100 K HN 0.239 nan 8.250 nan 0.000 0.440 101 N N 0.836 119.505 118.700 -0.051 0.000 2.571 101 N HA -0.085 4.655 4.740 -0.001 0.000 0.189 101 N C 1.337 176.827 175.510 -0.034 0.000 1.154 101 N CA 0.981 54.005 53.050 -0.042 0.000 0.907 101 N CB 0.180 38.637 38.487 -0.050 0.000 0.977 101 N HN 0.321 nan 8.380 nan 0.000 0.449 102 S N -0.094 115.585 115.700 -0.035 0.000 2.470 102 S HA -0.118 4.352 4.470 -0.001 0.000 0.225 102 S C 1.184 175.780 174.600 -0.007 0.000 1.006 102 S CA 0.821 59.009 58.200 -0.019 0.000 0.934 102 S CB -0.212 62.976 63.200 -0.021 0.000 0.778 102 S HN 0.272 nan 8.310 nan 0.000 0.517 103 K N 0.304 120.695 120.400 -0.014 0.000 3.193 103 K HA -0.245 4.075 4.320 -0.001 0.000 0.294 103 K C -0.372 176.225 176.600 -0.007 0.000 1.185 103 K CA 1.516 57.797 56.287 -0.011 0.000 0.866 103 K CB -3.211 29.285 32.500 -0.008 0.000 1.227 103 K HN 0.837 nan 8.250 nan 0.000 0.467 104 R N 0.285 120.783 120.500 -0.004 0.000 2.216 104 R HA 0.456 4.796 4.340 -0.001 0.000 0.332 104 R C 2.152 178.443 176.300 -0.014 0.000 1.056 104 R CA 0.387 56.488 56.100 0.001 0.000 0.901 104 R CB 1.019 31.331 30.300 0.020 0.000 1.039 104 R HN 0.629 nan 8.270 nan 0.000 0.456 105 E N 2.603 122.794 120.200 -0.015 0.000 2.171 105 E HA -0.264 4.086 4.350 -0.001 0.000 0.197 105 E C 1.322 177.901 176.600 -0.034 0.000 0.997 105 E CA 1.830 58.216 56.400 -0.023 0.000 0.810 105 E CB -0.394 29.295 29.700 -0.018 0.000 0.738 105 E HN 0.630 nan 8.360 nan 0.000 0.467 106 D N 0.083 120.465 120.400 -0.029 0.000 2.103 106 D HA -0.121 4.519 4.640 -0.001 0.000 0.190 106 D C 1.966 178.218 176.300 -0.080 0.000 0.997 106 D CA 1.460 55.435 54.000 -0.042 0.000 0.833 106 D CB -0.181 40.609 40.800 -0.016 0.000 0.961 106 D HN 0.487 nan 8.370 nan 0.000 0.447 107 L N -0.241 120.943 121.223 -0.065 0.000 2.270 107 L HA 0.007 4.347 4.340 -0.001 0.000 0.210 107 L C 2.481 179.299 176.870 -0.086 0.000 1.104 107 L CA 0.099 54.891 54.840 -0.081 0.000 0.804 107 L CB -0.127 41.900 42.059 -0.052 0.000 0.937 107 L HN 0.022 nan 8.230 nan 0.000 0.450 108 L N -0.156 121.026 121.223 -0.068 0.000 2.201 108 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 108 L C 2.484 179.306 176.870 -0.080 0.000 1.105 108 L CA 1.246 56.047 54.840 -0.065 0.000 0.775 108 L CB -0.295 41.736 42.059 -0.048 0.000 0.913 108 L HN 0.153 nan 8.230 nan 0.000 0.440 109 K N 0.351 120.695 120.400 -0.093 0.000 2.076 109 K HA -0.056 4.264 4.320 -0.001 0.000 0.204 109 K C 1.906 178.423 176.600 -0.138 0.000 1.051 109 K CA 1.253 57.479 56.287 -0.101 0.000 0.949 109 K CB -0.026 32.420 32.500 -0.090 0.000 0.726 109 K HN 0.381 nan 8.250 nan 0.000 0.443 110 I N -2.332 118.099 120.570 -0.233 0.000 3.419 110 I HA 0.005 4.175 4.170 -0.001 0.000 0.286 110 I C 1.338 177.384 176.117 -0.119 0.000 1.268 110 I CA 0.547 61.645 61.300 -0.337 0.000 1.414 110 I CB 0.043 37.556 38.000 -0.813 0.000 1.074 110 I HN -0.086 nan 8.210 nan 0.000 0.457 111 K N 1.288 121.626 120.400 -0.104 0.000 2.127 111 K HA -0.253 4.067 4.320 -0.001 0.000 0.208 111 K C 1.862 178.416 176.600 -0.078 0.000 1.047 111 K CA 2.080 58.326 56.287 -0.069 0.000 0.927 111 K CB -0.117 32.336 32.500 -0.078 0.000 0.716 111 K HN 0.286 nan 8.250 nan 0.000 0.450 112 E N -0.602 119.500 120.200 -0.163 0.000 2.427 112 E HA -0.076 4.274 4.350 -0.001 0.000 0.196 112 E C 0.615 176.984 176.600 -0.385 0.000 1.028 112 E CA 0.754 56.983 56.400 -0.285 0.000 0.864 112 E CB 0.105 29.572 29.700 -0.388 0.000 0.813 112 E HN 0.335 nan 8.360 nan 0.000 0.514 113 Y N -1.047 119.183 120.300 -0.118 0.000 2.466 113 Y HA 0.152 4.701 4.550 -0.001 0.000 0.272 113 Y C 0.419 176.414 175.900 0.158 0.000 1.169 113 Y CA -0.214 57.858 58.100 -0.047 0.000 1.285 113 Y CB 0.350 38.813 38.460 0.006 0.000 1.078 113 Y HN -0.246 nan 8.280 nan 0.000 0.523 114 V N 1.666 121.718 119.914 0.230 0.000 2.509 114 V HA -0.180 3.939 4.120 -0.001 0.000 0.297 114 V C 0.668 177.004 176.094 0.403 0.000 1.014 114 V CA 1.127 63.601 62.300 0.289 0.000 1.127 114 V CB -0.523 31.400 31.823 0.166 0.000 0.925 114 V HN 0.687 nan 8.190 nan 0.000 0.480 115 H N 3.143 122.460 119.070 0.411 0.000 2.936 115 H HA -0.234 4.321 4.556 -0.001 0.000 0.276 115 H C -0.233 175.306 175.328 0.351 0.000 1.216 115 H CA 0.727 56.969 56.048 0.323 0.000 1.132 115 H CB -1.641 28.208 29.762 0.145 0.000 1.303 115 H HN 0.691 nan 8.280 nan 0.000 0.370 116 Y N 1.614 122.155 120.300 0.401 0.000 2.496 116 Y HA 0.293 4.843 4.550 0.000 0.000 0.334 116 Y C 1.329 177.340 175.900 0.185 0.000 1.080 116 Y CA 0.776 59.024 58.100 0.246 0.000 1.355 116 Y CB -0.110 38.524 38.460 0.289 0.000 1.193 116 Y HN 0.391 nan 8.280 nan 0.000 0.523 117 L N 2.045 122.989 121.223 -0.465 0.000 3.803 117 L HA -0.342 3.998 4.340 -0.001 0.000 0.407 117 L C 0.365 176.897 176.870 -0.562 0.000 0.735 117 L CA 0.360 54.776 54.840 -0.706 0.000 2.621 117 L CB -2.077 39.367 42.059 -1.025 0.000 1.075 117 L HN 0.521 nan 8.230 nan 0.000 0.644 118 C N 0.828 119.768 119.300 -0.600 0.000 2.605 118 C HA 0.486 4.946 4.460 -0.001 0.000 0.404 118 C C 1.369 176.007 174.990 -0.587 0.000 1.284 118 C CA 0.375 58.894 59.018 -0.832 0.000 2.199 118 C CB 1.052 28.050 27.740 -1.237 0.000 2.647 118 C HN 0.321 nan 8.230 nan 0.000 0.604 119 T N 0.271 114.560 114.554 -0.442 0.000 2.927 119 T HA 0.240 4.589 4.350 -0.001 0.000 0.281 119 T C 1.308 175.951 174.700 -0.096 0.000 0.998 119 T CA 0.163 62.148 62.100 -0.192 0.000 1.019 119 T CB 0.930 69.697 68.868 -0.169 0.000 1.061 119 T HN 0.919 nan 8.240 nan 0.000 0.518 120 S N 1.617 117.353 115.700 0.060 0.000 2.402 120 S HA -0.064 4.406 4.470 -0.001 0.000 0.229 120 S C 1.487 176.119 174.600 0.054 0.000 1.021 120 S CA 0.805 59.075 58.200 0.117 0.000 0.974 120 S CB -0.330 62.930 63.200 0.100 0.000 0.800 120 S HN 0.728 nan 8.310 nan 0.000 0.484 121 E N 1.666 121.866 120.200 0.000 0.000 2.274 121 E HA -0.051 4.299 4.350 -0.001 0.000 0.194 121 E C 1.426 178.005 176.600 -0.035 0.000 0.996 121 E CA 0.707 57.110 56.400 0.005 0.000 0.840 121 E CB -0.453 29.241 29.700 -0.010 0.000 0.772 121 E HN 0.624 nan 8.360 nan 0.000 0.491 122 D N 0.705 120.996 120.400 -0.181 0.000 2.097 122 D HA -0.139 4.501 4.640 -0.001 0.000 0.195 122 D C 1.957 178.245 176.300 -0.020 0.000 0.989 122 D CA 0.719 54.514 54.000 -0.340 0.000 0.827 122 D CB -0.031 40.110 40.800 -1.099 0.000 0.966 122 D HN 0.163 nan 8.370 nan 0.000 0.456 123 I N 1.383 121.963 120.570 0.017 0.000 2.202 123 I HA -0.181 3.989 4.170 -0.001 0.000 0.242 123 I C 1.893 178.117 176.117 0.178 0.000 1.091 123 I CA 0.962 62.384 61.300 0.202 0.000 1.368 123 I CB -1.132 36.997 38.000 0.215 0.000 1.058 123 I HN -0.022 nan 8.210 nan 0.000 0.410 124 N N 1.685 120.485 118.700 0.167 0.000 2.142 124 N HA -0.204 4.536 4.740 -0.001 0.000 0.186 124 N C 1.568 177.261 175.510 0.305 0.000 1.023 124 N CA 1.737 54.929 53.050 0.237 0.000 0.852 124 N CB -0.765 37.878 38.487 0.260 0.000 0.998 124 N HN 0.624 nan 8.380 nan 0.000 0.424 125 N N 0.415 119.248 118.700 0.221 0.000 2.188 125 N HA -0.093 4.647 4.740 -0.001 0.000 0.184 125 N C 1.430 177.046 175.510 0.177 0.000 1.018 125 N CA 1.107 54.291 53.050 0.224 0.000 0.858 125 N CB -0.327 38.257 38.487 0.160 0.000 0.989 125 N HN -0.095 nan 8.380 nan 0.000 0.426 126 V N 0.672 120.636 119.914 0.083 0.000 2.358 126 V HA -0.124 3.996 4.120 -0.001 0.000 0.246 126 V C 2.769 178.802 176.094 -0.101 0.000 1.047 126 V CA 1.727 63.955 62.300 -0.121 0.000 1.035 126 V CB -1.277 30.325 31.823 -0.368 0.000 0.658 126 V HN 0.587 nan 8.190 nan 0.000 0.452 127 A N -0.857 121.965 122.820 0.003 0.000 1.883 127 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 127 A C 2.104 179.660 177.584 -0.046 0.000 1.186 127 A CA 2.163 54.206 52.037 0.009 0.000 0.624 127 A CB -0.881 18.139 19.000 0.033 0.000 0.822 127 A HN 0.561 nan 8.150 nan 0.000 0.444 128 Y N -0.197 120.127 120.300 0.041 0.000 2.145 128 Y HA -0.147 4.403 4.550 -0.000 0.000 0.286 128 Y C 2.985 178.950 175.900 0.108 0.000 1.145 128 Y CA 1.349 59.501 58.100 0.087 0.000 1.148 128 Y CB -0.477 38.055 38.460 0.121 0.000 0.981 128 Y HN 0.350 nan 8.280 nan 0.000 0.507 129 A N -0.094 122.887 122.820 0.269 0.000 1.892 129 A HA -0.286 4.033 4.320 -0.001 0.000 0.218 129 A C 2.338 179.975 177.584 0.089 0.000 1.188 129 A CA 2.799 54.950 52.037 0.190 0.000 0.631 129 A CB -1.519 17.511 19.000 0.050 0.000 0.822 129 A HN 0.548 nan 8.150 nan 0.000 0.447 130 T N -3.088 111.480 114.554 0.023 0.000 2.788 130 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 130 T C 1.865 176.558 174.700 -0.012 0.000 1.044 130 T CA 1.579 63.701 62.100 0.038 0.000 1.139 130 T CB -1.204 67.731 68.868 0.111 0.000 0.867 130 T HN 0.410 nan 8.240 nan 0.000 0.454 131 C N 0.710 119.920 119.300 -0.151 0.000 2.446 131 C HA 0.164 4.623 4.460 -0.001 0.000 0.277 131 C C 2.617 177.511 174.990 -0.160 0.000 1.275 131 C CA 0.337 59.177 59.018 -0.297 0.000 1.727 131 C CB -1.473 25.901 27.740 -0.611 0.000 2.010 131 C HN 0.535 nan 8.230 nan 0.000 0.486 132 L N 1.507 122.791 121.223 0.102 0.000 2.027 132 L HA -0.056 4.284 4.340 -0.001 0.000 0.206 132 L C 2.450 179.387 176.870 0.112 0.000 1.074 132 L CA 1.880 56.891 54.840 0.286 0.000 0.745 132 L CB -0.967 41.310 42.059 0.363 0.000 0.898 132 L HN 0.277 nan 8.230 nan 0.000 0.433 133 K N -0.824 119.627 120.400 0.085 0.000 2.002 133 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 133 K C 1.990 178.578 176.600 -0.020 0.000 1.048 133 K CA 1.498 57.810 56.287 0.041 0.000 0.930 133 K CB -0.232 32.293 32.500 0.041 0.000 0.714 133 K HN 0.418 nan 8.250 nan 0.000 0.438 134 A N 0.901 123.704 122.820 -0.028 0.000 1.877 134 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 134 A C 2.486 179.823 177.584 -0.412 0.000 1.186 134 A CA 1.747 53.755 52.037 -0.048 0.000 0.620 134 A CB -1.344 17.784 19.000 0.213 0.000 0.822 134 A HN 0.664 nan 8.150 nan 0.000 0.443 135 C N -0.426 118.373 119.300 -0.835 0.000 2.393 135 C HA -0.126 4.333 4.460 -0.001 0.000 0.276 135 C C 2.654 177.402 174.990 -0.403 0.000 1.215 135 C CA 1.376 59.730 59.018 -1.107 0.000 1.743 135 C CB -1.568 25.802 27.740 -0.617 0.000 2.044 135 C HN 0.594 nan 8.230 nan 0.000 0.464 136 L N 0.952 122.075 121.223 -0.168 0.000 2.017 136 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 136 L C 2.436 179.271 176.870 -0.057 0.000 1.073 136 L CA 1.794 56.600 54.840 -0.057 0.000 0.745 136 L CB -0.834 41.225 42.059 -0.000 0.000 0.894 136 L HN 0.450 nan 8.230 nan 0.000 0.432 137 N N -0.256 118.406 118.700 -0.063 0.000 2.270 137 N HA -0.138 4.601 4.740 -0.001 0.000 0.181 137 N C 1.317 176.809 175.510 -0.029 0.000 1.016 137 N CA 1.166 54.197 53.050 -0.032 0.000 0.870 137 N CB -0.207 38.272 38.487 -0.014 0.000 0.979 137 N HN 0.332 nan 8.380 nan 0.000 0.431 138 D N -0.568 119.794 120.400 -0.064 0.000 2.262 138 D HA 0.064 4.704 4.640 -0.001 0.000 0.212 138 D C 1.856 178.153 176.300 -0.004 0.000 0.964 138 D CA 0.465 54.457 54.000 -0.013 0.000 0.875 138 D CB 0.378 41.209 40.800 0.052 0.000 0.996 138 D HN 0.024 nan 8.370 nan 0.000 0.497 139 V N -0.318 119.557 119.914 -0.064 0.000 2.950 139 V HA 0.014 4.134 4.120 -0.001 0.000 0.231 139 V C 2.290 178.406 176.094 0.037 0.000 1.205 139 V CA 0.230 62.531 62.300 0.000 0.000 1.239 139 V CB 0.192 32.017 31.823 0.003 0.000 1.050 139 V HN -0.063 nan 8.190 nan 0.000 0.498 140 V N 0.575 120.505 119.914 0.028 0.000 2.283 140 V HA -0.163 3.957 4.120 -0.001 0.000 0.243 140 V C 2.230 178.395 176.094 0.118 0.000 1.039 140 V CA 2.192 64.564 62.300 0.120 0.000 1.016 140 V CB -0.378 31.517 31.823 0.120 0.000 0.650 140 V HN 0.400 nan 8.190 nan 0.000 0.449 141 I N 0.237 120.835 120.570 0.047 0.000 2.179 141 I HA -0.151 4.018 4.170 -0.001 0.000 0.242 141 I C -0.213 175.904 176.117 -0.001 0.000 1.088 141 I CA 1.606 62.911 61.300 0.009 0.000 1.357 141 I CB -1.658 36.335 38.000 -0.011 0.000 1.051 141 I HN 0.346 nan 8.210 nan 0.000 0.409 142 P HA -0.176 nan 4.420 nan 0.000 0.217 142 P C 1.870 179.184 177.300 0.024 0.000 1.148 142 P CA 1.323 64.434 63.100 0.019 0.000 0.828 142 P CB -0.103 31.614 31.700 0.029 0.000 0.783 143 C N -1.313 118.016 119.300 0.050 0.000 2.453 143 C HA -0.072 4.387 4.460 -0.001 0.000 0.277 143 C C 2.578 177.545 174.990 -0.039 0.000 1.262 143 C CA 0.563 59.622 59.018 0.068 0.000 1.718 143 C CB -1.789 26.067 27.740 0.193 0.000 2.031 143 C HN 0.115 nan 8.230 nan 0.000 0.480 144 L N 0.352 121.484 121.223 -0.152 0.000 2.042 144 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 144 L C 2.637 179.424 176.870 -0.139 0.000 1.076 144 L CA 1.869 56.528 54.840 -0.301 0.000 0.749 144 L CB -0.668 41.202 42.059 -0.316 0.000 0.893 144 L HN 0.484 nan 8.230 nan 0.000 0.432 145 E N -0.383 119.777 120.200 -0.068 0.000 2.150 145 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 145 E C 2.129 178.738 176.600 0.016 0.000 0.985 145 E CA 0.731 57.120 56.400 -0.018 0.000 0.814 145 E CB 0.082 29.780 29.700 -0.002 0.000 0.752 145 E HN 0.389 nan 8.360 nan 0.000 0.466 146 K N 0.555 120.961 120.400 0.011 0.000 2.057 146 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 146 K C 1.195 177.817 176.600 0.036 0.000 1.049 146 K CA 0.588 56.894 56.287 0.031 0.000 0.931 146 K CB -0.092 32.428 32.500 0.033 0.000 0.714 146 K HN 0.065 nan 8.250 nan 0.000 0.440 150 K N 0.751 121.213 120.400 0.103 0.000 2.026 150 K HA 0.027 4.347 4.320 -0.001 0.000 0.208 150 K C 1.922 178.588 176.600 0.110 0.000 1.048 150 K CA 2.434 58.778 56.287 0.096 0.000 0.929 150 K CB -0.575 31.985 32.500 0.101 0.000 0.713 150 K HN 0.445 nan 8.250 nan 0.000 0.439 151 L N 0.532 121.846 121.223 0.152 0.000 2.042 151 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 151 L C 2.621 179.545 176.870 0.090 0.000 1.076 151 L CA 1.744 56.684 54.840 0.168 0.000 0.749 151 L CB -0.511 41.703 42.059 0.258 0.000 0.893 151 L HN 0.258 nan 8.230 nan 0.000 0.432 152 K N 0.143 120.570 120.400 0.045 0.000 2.032 152 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 152 K C 1.725 178.244 176.600 -0.135 0.000 1.048 152 K CA 1.937 58.091 56.287 -0.222 0.000 0.927 152 K CB -0.013 32.278 32.500 -0.348 0.000 0.712 152 K HN 0.258 nan 8.250 nan 0.000 0.441 153 D N 0.714 121.078 120.400 -0.060 0.000 2.144 153 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 153 D C 1.980 178.236 176.300 -0.073 0.000 0.984 153 D CA 0.991 54.953 54.000 -0.063 0.000 0.834 153 D CB -0.120 40.664 40.800 -0.027 0.000 0.955 153 D HN 0.255 nan 8.370 nan 0.000 0.465 154 L N 0.699 121.916 121.223 -0.009 0.000 2.056 154 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 154 L C 2.597 179.467 176.870 -0.000 0.000 1.078 154 L CA 0.997 55.867 54.840 0.050 0.000 0.749 154 L CB -0.481 41.678 42.059 0.167 0.000 0.901 154 L HN -0.034 nan 8.230 nan 0.000 0.433 155 A N -0.142 122.644 122.820 -0.057 0.000 1.917 155 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 155 A C 2.317 179.849 177.584 -0.086 0.000 1.182 155 A CA 2.230 54.213 52.037 -0.090 0.000 0.633 155 A CB -0.859 18.064 19.000 -0.129 0.000 0.819 155 A HN 0.217 nan 8.150 nan 0.000 0.448 156 V N -0.371 119.474 119.914 -0.115 0.000 2.302 156 V HA -0.208 3.912 4.120 -0.001 0.000 0.243 156 V C 2.494 178.519 176.094 -0.115 0.000 1.036 156 V CA 2.019 64.251 62.300 -0.113 0.000 1.020 156 V CB -0.766 30.982 31.823 -0.126 0.000 0.657 156 V HN 0.775 nan 8.190 nan 0.000 0.453 157 E N -0.334 119.747 120.200 -0.200 0.000 2.130 157 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 157 E C 1.230 177.622 176.600 -0.347 0.000 0.998 157 E CA 1.768 57.952 56.400 -0.360 0.000 0.806 157 E CB -0.010 29.311 29.700 -0.631 0.000 0.738 157 E HN 0.746 nan 8.360 nan 0.000 0.459 158 Y N -0.225 120.115 120.300 0.067 0.000 2.696 158 Y HA 0.185 4.734 4.550 -0.001 0.000 0.260 158 Y C 1.871 177.814 175.900 0.072 0.000 1.165 158 Y CA 0.151 58.317 58.100 0.110 0.000 1.189 158 Y CB 0.219 38.827 38.460 0.247 0.000 1.180 158 Y HN 0.084 nan 8.280 nan 0.000 0.538 159 S N -0.998 114.782 115.700 0.134 0.000 2.402 159 S HA -0.283 4.187 4.470 -0.001 0.000 0.233 159 S C 1.734 176.411 174.600 0.129 0.000 1.030 159 S CA 2.010 60.262 58.200 0.087 0.000 1.003 159 S CB -0.512 62.712 63.200 0.039 0.000 0.813 159 S HN 0.658 nan 8.310 nan 0.000 0.477 160 H N 0.246 119.355 119.070 0.065 0.000 2.592 160 H HA 0.334 4.889 4.556 -0.001 0.000 0.265 160 H C -0.299 175.065 175.328 0.060 0.000 0.955 160 H CA 0.201 56.280 56.048 0.051 0.000 1.175 160 H CB 0.405 30.193 29.762 0.042 0.000 1.433 160 H HN 0.245 nan 8.280 nan 0.000 0.537 161 V N 5.226 125.202 119.914 0.104 0.000 2.403 161 V HA 0.079 4.198 4.120 -0.001 0.000 0.265 161 V C -2.095 173.988 176.094 -0.019 0.000 1.034 161 V CA -1.090 61.246 62.300 0.061 0.000 1.036 161 V CB 0.557 32.460 31.823 0.132 0.000 1.032 161 V HN 0.258 nan 8.190 nan 0.000 0.478 162 P HA 0.334 nan 4.420 nan 0.000 0.271 162 P C -0.840 176.428 177.300 -0.054 0.000 1.218 162 P CA -0.298 62.748 63.100 -0.089 0.000 0.780 162 P CB 0.796 32.427 31.700 -0.115 0.000 0.901 163 L N 3.622 124.820 121.223 -0.041 0.000 2.505 163 L HA 0.462 4.801 4.340 -0.001 0.000 0.266 163 L C -1.558 175.314 176.870 0.003 0.000 0.954 163 L CA -1.035 53.794 54.840 -0.019 0.000 0.852 163 L CB 1.682 43.735 42.059 -0.009 0.000 1.282 163 L HN 0.090 nan 8.230 nan 0.000 0.403 164 L N 4.051 125.285 121.223 0.018 0.000 2.477 164 L HA 0.382 4.722 4.340 -0.001 0.000 0.272 164 L C 0.276 177.191 176.870 0.075 0.000 1.157 164 L CA 0.917 55.778 54.840 0.034 0.000 0.889 164 L CB 0.507 42.586 42.059 0.034 0.000 1.158 164 L HN 0.835 nan 8.230 nan 0.000 0.473 165 S N 5.353 121.090 115.700 0.062 0.000 2.593 165 S HA 0.482 4.951 4.470 -0.001 0.000 0.269 165 S C -0.012 174.638 174.600 0.084 0.000 1.334 165 S CA -0.469 57.780 58.200 0.081 0.000 1.015 165 S CB 0.579 63.809 63.200 0.049 0.000 0.912 165 S HN 0.584 nan 8.310 nan 0.000 0.541 166 R N 0.995 121.547 120.500 0.087 0.000 2.532 166 R HA 0.442 4.781 4.340 -0.001 0.000 0.297 166 R C -0.887 175.446 176.300 0.056 0.000 0.984 166 R CA -0.464 55.680 56.100 0.074 0.000 0.884 166 R CB 1.880 32.222 30.300 0.070 0.000 1.182 166 R HN 0.758 nan 8.270 nan 0.000 0.442 167 T N -0.664 113.936 114.554 0.077 0.000 2.807 167 T HA 0.263 4.612 4.350 -0.001 0.000 0.279 167 T C 0.333 175.135 174.700 0.170 0.000 0.993 167 T CA -0.738 61.394 62.100 0.053 0.000 0.970 167 T CB 0.849 69.768 68.868 0.086 0.000 0.950 167 T HN 0.855 nan 8.240 nan 0.000 0.441 168 H N 1.621 120.702 119.070 0.018 0.000 2.822 168 H HA -0.284 4.272 4.556 -0.001 0.000 0.295 168 H C 1.545 176.884 175.328 0.019 0.000 1.151 168 H CA 1.083 57.141 56.048 0.016 0.000 1.151 168 H CB -1.757 28.015 29.762 0.016 0.000 1.343 168 H HN 1.629 nan 8.280 nan 0.000 0.382 169 G N -0.602 108.260 108.800 0.103 0.000 2.205 169 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.261 169 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.261 169 G C 0.143 175.092 174.900 0.080 0.000 0.980 169 G CA 0.684 45.829 45.100 0.076 0.000 0.632 169 G HN 0.437 nan 8.290 nan 0.000 0.533 170 Q N 0.434 120.295 119.800 0.101 0.000 2.235 170 Q HA 0.506 4.845 4.340 -0.001 0.000 0.256 170 Q C -2.511 173.539 176.000 0.083 0.000 0.951 170 Q CA -2.139 53.715 55.803 0.085 0.000 0.890 170 Q CB 1.425 30.211 28.738 0.081 0.000 1.279 170 Q HN 0.158 nan 8.270 nan 0.000 0.444 171 P HA 0.124 nan 4.420 nan 0.000 0.265 171 P C -1.244 176.098 177.300 0.071 0.000 1.193 171 P CA 0.393 63.533 63.100 0.066 0.000 0.765 171 P CB 0.609 32.343 31.700 0.058 0.000 0.823 172 A N 2.130 124.991 122.820 0.068 0.000 2.583 172 A HA 0.606 4.926 4.320 -0.001 0.000 0.289 172 A C -0.492 177.133 177.584 0.069 0.000 1.151 172 A CA -0.580 51.501 52.037 0.073 0.000 0.695 172 A CB 0.500 19.546 19.000 0.076 0.000 1.290 172 A HN 0.357 nan 8.150 nan 0.000 0.419 173 S N 0.820 116.573 115.700 0.088 0.000 2.715 173 S HA 0.156 4.625 4.470 -0.001 0.000 0.318 173 S C 0.804 175.403 174.600 -0.002 0.000 1.242 173 S CA 0.713 58.966 58.200 0.088 0.000 1.044 173 S CB 0.099 63.329 63.200 0.049 0.000 0.760 173 S HN 1.131 nan 8.310 nan 0.000 0.501 174 S N 1.658 117.343 115.700 -0.025 0.000 2.573 174 S HA 0.353 4.823 4.470 -0.001 0.000 0.277 174 S C 0.376 174.918 174.600 -0.098 0.000 1.346 174 S CA -0.044 58.122 58.200 -0.056 0.000 1.034 174 S CB 0.801 63.965 63.200 -0.061 0.000 0.879 174 S HN 0.799 nan 8.310 nan 0.000 0.528 175 T N 0.831 115.348 114.554 -0.061 0.000 2.633 175 T HA 0.736 5.085 4.350 -0.001 0.000 0.262 175 T C -0.671 173.994 174.700 -0.057 0.000 0.920 175 T CA -0.075 61.988 62.100 -0.061 0.000 1.062 175 T CB 1.159 70.012 68.868 -0.024 0.000 1.390 175 T HN 0.897 nan 8.240 nan 0.000 0.549 176 T N -0.672 113.857 114.554 -0.041 0.000 2.908 176 T HA 0.515 4.865 4.350 -0.001 0.000 0.290 176 T C 0.594 175.303 174.700 0.016 0.000 1.034 176 T CA -0.660 61.430 62.100 -0.017 0.000 1.010 176 T CB 1.198 70.053 68.868 -0.021 0.000 1.068 176 T HN 0.426 nan 8.240 nan 0.000 0.481 177 F N 2.279 122.167 119.950 -0.103 0.000 2.126 177 F HA 0.116 4.642 4.527 -0.001 0.000 0.299 177 F C 2.320 178.109 175.800 -0.017 0.000 1.096 177 F CA 2.264 60.178 58.000 -0.144 0.000 1.255 177 F CB -0.937 37.912 39.000 -0.252 0.000 0.997 177 F HN 0.794 nan 8.300 nan 0.000 0.479 178 G N -0.130 108.648 108.800 -0.037 0.000 2.442 178 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.219 178 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.219 178 G C 1.672 176.489 174.900 -0.137 0.000 1.141 178 G CA 1.167 46.217 45.100 -0.084 0.000 0.763 178 G HN 0.333 nan 8.290 nan 0.000 0.554 179 K N 0.749 121.092 120.400 -0.095 0.000 2.057 179 K HA -0.031 4.288 4.320 -0.001 0.000 0.207 179 K C 1.411 177.943 176.600 -0.112 0.000 1.049 179 K CA 0.544 56.780 56.287 -0.085 0.000 0.931 179 K CB -0.190 32.278 32.500 -0.052 0.000 0.714 179 K HN 0.210 nan 8.250 nan 0.000 0.440 183 N N 0.400 119.050 118.700 -0.083 0.000 2.094 183 N HA -0.128 4.612 4.740 -0.001 0.000 0.191 183 N C 1.308 176.705 175.510 -0.188 0.000 1.023 183 N CA 2.006 54.942 53.050 -0.190 0.000 0.857 183 N CB -0.613 37.655 38.487 -0.364 0.000 1.013 183 N HN 0.518 nan 8.380 nan 0.000 0.426 184 F N 0.068 120.051 119.950 0.055 0.000 2.146 184 F HA -0.081 4.446 4.527 -0.001 0.000 0.298 184 F C 2.351 178.196 175.800 0.075 0.000 1.096 184 F CA 0.441 58.480 58.000 0.065 0.000 1.275 184 F CB -1.138 37.904 39.000 0.070 0.000 1.008 184 F HN 0.025 nan 8.300 nan 0.000 0.480 185 Y N 1.063 121.466 120.300 0.171 0.000 2.069 185 Y HA -0.357 4.192 4.550 -0.000 0.000 0.278 185 Y C 2.458 178.411 175.900 0.089 0.000 1.175 185 Y CA 1.808 59.968 58.100 0.101 0.000 1.134 185 Y CB -0.807 37.675 38.460 0.037 0.000 0.965 185 Y HN -0.001 nan 8.280 nan 0.000 0.498 186 A N 0.431 123.344 122.820 0.155 0.000 1.908 186 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 186 A C 2.282 179.853 177.584 -0.020 0.000 1.181 186 A CA 2.092 54.166 52.037 0.063 0.000 0.627 186 A CB -0.707 18.326 19.000 0.054 0.000 0.818 186 A HN 0.598 nan 8.150 nan 0.000 0.445 187 R N -0.713 119.772 120.500 -0.024 0.000 2.075 187 R HA -0.005 4.335 4.340 -0.001 0.000 0.232 187 R C 1.998 178.216 176.300 -0.136 0.000 1.126 187 R CA 1.626 57.676 56.100 -0.083 0.000 0.963 187 R CB -0.434 29.885 30.300 0.031 0.000 0.858 187 R HN 0.581 nan 8.270 nan 0.000 0.435 188 I N -0.300 120.266 120.570 -0.007 0.000 2.353 188 I HA -0.261 3.909 4.170 -0.001 0.000 0.248 188 I C 2.641 178.682 176.117 -0.127 0.000 1.119 188 I CA 0.965 62.269 61.300 0.005 0.000 1.417 188 I CB -0.491 37.508 38.000 -0.001 0.000 1.078 188 I HN 0.305 nan 8.210 nan 0.000 0.421 189 H N 0.537 119.397 119.070 -0.350 0.000 2.319 189 H HA -0.311 4.244 4.556 -0.000 0.000 0.297 189 H C 2.314 177.539 175.328 -0.172 0.000 1.097 189 H CA 2.563 58.404 56.048 -0.344 0.000 1.285 189 H CB -0.134 29.353 29.762 -0.459 0.000 1.368 189 H HN 0.406 nan 8.280 nan 0.000 0.495 190 H N -0.028 118.919 119.070 -0.204 0.000 2.321 190 H HA -0.120 4.435 4.556 -0.001 0.000 0.300 190 H C 2.361 177.552 175.328 -0.227 0.000 1.087 190 H CA 2.125 58.033 56.048 -0.233 0.000 1.319 190 H CB -0.208 29.410 29.762 -0.241 0.000 1.379 190 H HN 0.412 nan 8.280 nan 0.000 0.501 191 H N -0.757 118.224 119.070 -0.147 0.000 2.353 191 H HA -0.097 4.458 4.556 -0.001 0.000 0.300 191 H C 2.627 177.825 175.328 -0.217 0.000 1.090 191 H CA 1.456 57.401 56.048 -0.173 0.000 1.327 191 H CB -0.587 29.137 29.762 -0.064 0.000 1.383 191 H HN 0.271 nan 8.280 nan 0.000 0.508 192 V N 0.640 120.489 119.914 -0.108 0.000 2.332 192 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 192 V C 2.745 178.717 176.094 -0.203 0.000 1.055 192 V CA 1.860 64.068 62.300 -0.153 0.000 1.038 192 V CB -1.120 30.598 31.823 -0.175 0.000 0.651 192 V HN 0.549 nan 8.190 nan 0.000 0.450 193 G N -0.278 108.337 108.800 -0.310 0.000 2.421 193 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 193 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 193 G C 1.676 176.445 174.900 -0.219 0.000 1.171 193 G CA 1.194 46.127 45.100 -0.279 0.000 0.775 193 G HN 0.383 nan 8.290 nan 0.000 0.543 194 V N 1.063 120.809 119.914 -0.281 0.000 2.392 194 V HA -0.171 3.949 4.120 -0.001 0.000 0.249 194 V C 2.767 178.796 176.094 -0.108 0.000 1.059 194 V CA 1.611 63.792 62.300 -0.197 0.000 1.051 194 V CB -0.348 31.346 31.823 -0.216 0.000 0.658 194 V HN 0.398 nan 8.190 nan 0.000 0.455 195 I N 0.390 120.900 120.570 -0.099 0.000 2.353 195 I HA -0.186 3.983 4.170 -0.001 0.000 0.248 195 I C 2.642 178.730 176.117 -0.049 0.000 1.119 195 I CA 1.418 62.679 61.300 -0.065 0.000 1.417 195 I CB -0.381 37.582 38.000 -0.061 0.000 1.078 195 I HN 0.355 nan 8.210 nan 0.000 0.421 196 R N 0.938 121.400 120.500 -0.064 0.000 2.276 196 R HA -0.000 4.339 4.340 -0.001 0.000 0.203 196 R C 1.869 178.147 176.300 -0.036 0.000 1.017 196 R CA 0.529 56.601 56.100 -0.046 0.000 1.010 196 R CB -0.423 29.845 30.300 -0.052 0.000 0.900 196 R HN 0.312 nan 8.270 nan 0.000 0.469 197 R N 1.106 121.579 120.500 -0.045 0.000 2.236 197 R HA 0.125 4.464 4.340 -0.001 0.000 0.208 197 R C 0.143 176.436 176.300 -0.011 0.000 1.036 197 R CA 0.172 56.254 56.100 -0.030 0.000 1.001 197 R CB 0.242 30.519 30.300 -0.038 0.000 0.896 197 R HN -0.022 nan 8.270 nan 0.000 0.464 198 V N 2.624 122.537 119.914 -0.003 0.000 2.521 198 V HA -0.012 4.107 4.120 -0.001 0.000 0.286 198 V C 0.312 176.423 176.094 0.027 0.000 1.034 198 V CA 0.275 62.591 62.300 0.026 0.000 1.045 198 V CB 0.872 32.725 31.823 0.050 0.000 0.974 198 V HN 0.119 nan 8.190 nan 0.000 0.480 199 K N 3.913 124.323 120.400 0.017 0.000 2.276 199 K HA 0.388 4.708 4.320 -0.001 0.000 0.285 199 K C -0.598 175.945 176.600 -0.096 0.000 1.062 199 K CA -0.371 55.901 56.287 -0.025 0.000 0.918 199 K CB 1.280 33.764 32.500 -0.028 0.000 1.055 199 K HN 0.505 nan 8.250 nan 0.000 0.477 200 V N 4.277 124.097 119.914 -0.156 0.000 2.470 200 V HA 0.027 4.147 4.120 -0.001 0.000 0.276 200 V C 0.107 175.886 176.094 -0.526 0.000 1.040 200 V CA -0.520 61.510 62.300 -0.450 0.000 1.008 200 V CB 0.246 31.953 31.823 -0.195 0.000 0.990 200 V HN 0.860 nan 8.190 nan 0.000 0.477 201 C N 4.373 123.120 119.300 -0.922 0.000 2.454 201 C HA 0.984 5.444 4.460 -0.001 0.000 0.336 201 C C 0.544 175.353 174.990 -0.301 0.000 1.189 201 C CA -0.452 58.305 59.018 -0.436 0.000 1.877 201 C CB 1.108 28.691 27.740 -0.263 0.000 2.348 201 C HN 1.057 nan 8.230 nan 0.000 0.508 202 A N 1.928 124.713 122.820 -0.059 0.000 2.594 202 A HA 0.937 5.256 4.320 -0.001 0.000 0.291 202 A C -1.159 176.541 177.584 0.193 0.000 1.105 202 A CA -0.652 51.409 52.037 0.041 0.000 0.694 202 A CB 1.459 20.443 19.000 -0.026 0.000 1.291 202 A HN 0.908 nan 8.150 nan 0.000 0.410 203 K N -1.289 119.234 120.400 0.206 0.000 2.349 203 K HA 0.887 5.207 4.320 -0.001 0.000 0.243 203 K C -1.241 175.548 176.600 0.315 0.000 1.058 203 K CA -0.560 55.920 56.287 0.322 0.000 0.871 203 K CB 1.165 33.776 32.500 0.186 0.000 1.337 203 K HN 0.662 nan 8.250 nan 0.000 0.469 204 F N 0.790 120.755 119.950 0.025 0.000 3.015 204 F HA 0.320 4.848 4.527 0.001 0.000 0.415 204 F C -1.111 174.603 175.800 -0.143 0.000 1.185 204 F CA -0.445 57.501 58.000 -0.091 0.000 1.188 204 F CB 0.468 39.435 39.000 -0.055 0.000 2.558 204 F HN 0.654 nan 8.300 nan 0.000 0.587 205 N N 1.032 119.534 118.700 -0.331 0.000 2.200 205 N HA 0.426 5.165 4.740 -0.001 0.000 0.224 205 N C 0.641 175.734 175.510 -0.694 0.000 1.179 205 N CA 0.639 53.196 53.050 -0.821 0.000 0.877 205 N CB 1.026 38.981 38.487 -0.887 0.000 1.072 205 N HN 0.638 nan 8.380 nan 0.000 0.519 206 G N 0.797 109.362 108.800 -0.391 0.000 2.782 206 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.228 206 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.228 206 G C 1.029 175.794 174.900 -0.226 0.000 1.372 206 G CA -0.198 44.778 45.100 -0.208 0.000 0.862 206 G HN 0.351 nan 8.290 nan 0.000 0.547 207 A N -1.476 121.247 122.820 -0.161 0.000 1.985 207 A HA 0.059 4.378 4.320 -0.001 0.000 0.223 207 A C 2.281 179.791 177.584 -0.123 0.000 1.189 207 A CA 3.915 55.876 52.037 -0.127 0.000 0.658 207 A CB -0.268 18.677 19.000 -0.091 0.000 0.820 207 A HN 1.913 nan 8.150 nan 0.000 0.464 208 V N -3.416 116.412 119.914 -0.144 0.000 3.392 208 V HA 0.449 4.569 4.120 -0.001 0.000 0.294 208 V C 1.206 177.204 176.094 -0.159 0.000 1.561 208 V CA 0.816 63.043 62.300 -0.122 0.000 1.056 208 V CB 0.330 32.101 31.823 -0.086 0.000 0.882 208 V HN 1.376 nan 8.190 nan 0.000 0.440 209 G N 1.408 110.062 108.800 -0.244 0.000 2.176 209 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.232 209 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.232 209 G C 0.406 175.037 174.900 -0.449 0.000 0.986 209 G CA 0.403 45.309 45.100 -0.324 0.000 0.643 209 G HN 0.438 nan 8.290 nan 0.000 0.522 210 N N -0.223 118.251 118.700 -0.377 0.000 2.171 210 N HA 0.308 5.047 4.740 -0.001 0.000 0.212 210 N C 0.614 176.046 175.510 -0.129 0.000 1.184 210 N CA -0.032 52.875 53.050 -0.238 0.000 0.888 210 N CB 0.062 38.494 38.487 -0.091 0.000 1.038 210 N HN 0.393 nan 8.380 nan 0.000 0.517 211 F N 0.223 120.045 119.950 -0.213 0.000 3.093 211 F HA -0.282 4.245 4.527 0.000 0.000 0.287 211 F C 1.112 176.864 175.800 -0.079 0.000 0.882 211 F CA -0.027 57.784 58.000 -0.317 0.000 1.063 211 F CB -2.566 36.229 39.000 -0.341 0.000 1.097 211 F HN 0.039 nan 8.300 nan 0.000 0.604 212 N N 0.663 119.407 118.700 0.073 0.000 2.036 212 N HA -0.153 4.587 4.740 -0.001 0.000 0.195 212 N C 2.093 177.634 175.510 0.052 0.000 1.037 212 N CA 1.899 54.982 53.050 0.054 0.000 0.855 212 N CB -0.417 38.072 38.487 0.004 0.000 1.033 212 N HN 0.544 nan 8.380 nan 0.000 0.423 213 A N 0.494 123.330 122.820 0.028 0.000 1.898 213 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 213 A C 1.719 179.211 177.584 -0.155 0.000 1.181 213 A CA 1.452 53.426 52.037 -0.105 0.000 0.620 213 A CB -0.881 17.968 19.000 -0.252 0.000 0.819 213 A HN 0.383 nan 8.150 nan 0.000 0.442 214 H N -0.226 118.667 119.070 -0.296 0.000 2.387 214 H HA -0.079 4.476 4.556 -0.002 0.000 0.299 214 H C 1.959 177.225 175.328 -0.103 0.000 1.090 214 H CA 1.667 57.386 56.048 -0.547 0.000 1.332 214 H CB -0.126 28.792 29.762 -1.406 0.000 1.386 214 H HN 0.546 nan 8.280 nan 0.000 0.516 215 K N 0.605 121.091 120.400 0.143 0.000 2.057 215 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 215 K C 1.957 178.683 176.600 0.210 0.000 1.049 215 K CA 1.204 57.636 56.287 0.242 0.000 0.931 215 K CB -0.055 32.555 32.500 0.183 0.000 0.714 215 K HN 0.115 nan 8.250 nan 0.000 0.440 216 V N 1.153 121.148 119.914 0.135 0.000 2.427 216 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 216 V C 2.374 178.563 176.094 0.158 0.000 1.051 216 V CA 1.878 64.247 62.300 0.115 0.000 1.048 216 V CB -0.425 31.434 31.823 0.060 0.000 0.666 216 V HN 0.474 nan 8.190 nan 0.000 0.456 217 A N -1.255 121.668 122.820 0.172 0.000 1.898 217 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 217 A C 1.648 179.545 177.584 0.521 0.000 1.181 217 A CA 1.625 53.828 52.037 0.277 0.000 0.620 217 A CB -0.105 18.957 19.000 0.104 0.000 0.819 217 A HN 0.490 nan 8.150 nan 0.000 0.442 218 S N -0.840 115.191 115.700 0.551 0.000 2.461 218 S HA 0.296 4.765 4.470 -0.001 0.000 0.216 218 S C 0.651 175.460 174.600 0.348 0.000 1.201 218 S CA -0.112 58.358 58.200 0.450 0.000 1.171 218 S CB 0.499 63.960 63.200 0.435 0.000 1.169 218 S HN 0.504 nan 8.310 nan 0.000 0.456 219 K N 1.898 122.431 120.400 0.221 0.000 2.283 219 K HA -0.001 4.318 4.320 -0.001 0.000 0.202 219 K C 0.037 176.704 176.600 0.111 0.000 1.048 219 K CA 1.186 57.577 56.287 0.173 0.000 0.948 219 K CB -0.026 32.548 32.500 0.124 0.000 0.742 219 K HN 0.375 nan 8.250 nan 0.000 0.458 220 D N 1.149 121.579 120.400 0.050 0.000 2.369 220 D HA 0.043 4.683 4.640 -0.001 0.000 0.211 220 D C -0.289 175.948 176.300 -0.105 0.000 1.077 220 D CA 0.252 54.242 54.000 -0.018 0.000 0.842 220 D CB 0.611 41.391 40.800 -0.033 0.000 0.947 220 D HN 0.119 nan 8.370 nan 0.000 0.509 221 T N 1.296 115.746 114.554 -0.174 0.000 2.851 221 T HA 0.015 4.365 4.350 -0.001 0.000 0.298 221 T C 0.109 174.543 174.700 -0.443 0.000 0.977 221 T CA -0.208 61.608 62.100 -0.473 0.000 1.126 221 T CB 1.481 69.786 68.868 -0.939 0.000 0.916 221 T HN -0.126 nan 8.240 nan 0.000 0.529 222 D N 2.005 122.180 120.400 -0.374 0.000 2.422 222 D HA 0.111 4.751 4.640 -0.001 0.000 0.227 222 D C 0.107 176.225 176.300 -0.304 0.000 1.190 222 D CA -0.541 53.323 54.000 -0.226 0.000 0.905 222 D CB 0.260 40.986 40.800 -0.125 0.000 1.034 222 D HN 0.614 nan 8.370 nan 0.000 0.507 223 W N 2.660 123.794 121.300 -0.276 0.000 2.467 223 W HA -0.094 4.567 4.660 0.001 0.000 0.275 223 W C 2.248 178.504 176.519 -0.437 0.000 1.239 223 W CA -0.030 57.001 57.345 -0.524 0.000 1.266 223 W CB -0.023 28.727 29.460 -1.182 0.000 1.112 223 W HN 0.275 nan 8.180 nan 0.000 0.576 224 V N 1.033 120.924 119.914 -0.038 0.000 2.255 224 V HA -0.363 3.756 4.120 -0.001 0.000 0.247 224 V C 1.878 178.138 176.094 0.276 0.000 1.051 224 V CA 2.269 64.728 62.300 0.266 0.000 1.018 224 V CB -0.971 30.979 31.823 0.212 0.000 0.641 224 V HN 0.153 nan 8.190 nan 0.000 0.445 225 N N -0.103 118.674 118.700 0.129 0.000 2.166 225 N HA -0.128 4.611 4.740 -0.001 0.000 0.186 225 N C 1.881 177.458 175.510 0.111 0.000 1.019 225 N CA 1.809 54.925 53.050 0.109 0.000 0.856 225 N CB -0.648 37.864 38.487 0.041 0.000 0.993 225 N HN 0.458 nan 8.380 nan 0.000 0.426 226 T N 1.174 115.773 114.554 0.074 0.000 2.746 226 T HA -0.015 4.335 4.350 -0.001 0.000 0.267 226 T C 1.705 176.570 174.700 0.274 0.000 1.039 226 T CA 0.624 62.825 62.100 0.169 0.000 1.142 226 T CB -0.056 68.799 68.868 -0.021 0.000 0.866 226 T HN 0.092 nan 8.240 nan 0.000 0.444 227 I N 1.563 122.263 120.570 0.218 0.000 2.353 227 I HA 0.002 4.172 4.170 -0.001 0.000 0.248 227 I C 2.838 178.800 176.117 -0.258 0.000 1.119 227 I CA 0.870 62.196 61.300 0.044 0.000 1.417 227 I CB -1.841 36.173 38.000 0.023 0.000 1.078 227 I HN 0.283 nan 8.210 nan 0.000 0.421 228 G N 1.157 109.868 108.800 -0.148 0.000 2.476 228 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 228 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 228 G C 1.783 176.695 174.900 0.019 0.000 1.164 228 G CA 0.475 45.588 45.100 0.022 0.000 0.768 228 G HN 0.308 nan 8.290 nan 0.000 0.560 229 L N -0.671 120.599 121.223 0.079 0.000 1.994 229 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 229 L C 2.615 179.511 176.870 0.043 0.000 1.071 229 L CA 2.012 56.924 54.840 0.120 0.000 0.745 229 L CB -0.516 41.703 42.059 0.267 0.000 0.892 229 L HN 0.282 nan 8.230 nan 0.000 0.431 230 F N 0.836 120.563 119.950 -0.372 0.000 2.043 230 F HA -0.309 4.218 4.527 -0.001 0.000 0.297 230 F C 2.269 177.941 175.800 -0.215 0.000 1.118 230 F CA 1.939 59.483 58.000 -0.760 0.000 1.202 230 F CB -0.655 37.677 39.000 -1.113 0.000 0.965 230 F HN -0.013 nan 8.300 nan 0.000 0.482 231 L N 0.004 120.988 121.223 -0.398 0.000 2.093 231 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 231 L C 2.604 179.399 176.870 -0.124 0.000 1.085 231 L CA 1.867 56.520 54.840 -0.312 0.000 0.755 231 L CB -0.762 41.160 42.059 -0.227 0.000 0.904 231 L HN 0.195 nan 8.230 nan 0.000 0.435 232 K N 0.800 121.147 120.400 -0.088 0.000 2.007 232 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 232 K C 2.279 178.823 176.600 -0.093 0.000 1.047 232 K CA 1.410 57.669 56.287 -0.048 0.000 0.937 232 K CB -0.027 32.468 32.500 -0.008 0.000 0.718 232 K HN 0.016 nan 8.250 nan 0.000 0.438 233 K N -0.459 119.872 120.400 -0.114 0.000 2.057 233 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 233 K C 1.817 178.166 176.600 -0.419 0.000 1.049 233 K CA 1.569 57.726 56.287 -0.216 0.000 0.931 233 K CB -0.029 32.370 32.500 -0.167 0.000 0.714 233 K HN 0.405 nan 8.250 nan 0.000 0.440 234 H N -2.230 116.604 119.070 -0.393 0.000 2.592 234 H HA 0.058 4.613 4.556 -0.001 0.000 0.265 234 H C 0.472 175.172 175.328 -1.047 0.000 0.955 234 H CA 0.737 56.342 56.048 -0.738 0.000 1.175 234 H CB 0.569 29.767 29.762 -0.940 0.000 1.433 234 H HN 0.199 nan 8.280 nan 0.000 0.537 235 F N -0.996 118.855 119.950 -0.165 0.000 2.925 235 F HA 0.138 4.665 4.527 -0.000 0.000 0.355 235 F C 0.716 176.457 175.800 -0.097 0.000 1.073 235 F CA -0.436 57.487 58.000 -0.129 0.000 1.127 235 F CB 0.234 39.122 39.000 -0.186 0.000 1.123 235 F HN -0.128 nan 8.300 nan 0.000 0.551 236 N N 1.854 120.568 118.700 0.022 0.000 2.721 236 N HA -0.205 4.535 4.740 -0.001 0.000 0.249 236 N C -0.957 174.566 175.510 0.021 0.000 1.072 236 N CA 0.432 53.487 53.050 0.008 0.000 0.710 236 N CB -1.082 37.407 38.487 0.003 0.000 0.993 236 N HN 0.309 nan 8.380 nan 0.000 0.547 237 L N -0.101 121.136 121.223 0.023 0.000 2.334 237 L HA 0.416 4.756 4.340 -0.001 0.000 0.275 237 L C 0.946 177.817 176.870 0.001 0.000 1.036 237 L CA -0.843 53.992 54.840 -0.008 0.000 0.807 237 L CB 1.507 43.543 42.059 -0.039 0.000 1.231 237 L HN 0.006 nan 8.230 nan 0.000 0.438 238 T N 0.840 115.387 114.554 -0.011 0.000 2.930 238 T HA 0.046 4.395 4.350 -0.001 0.000 0.306 238 T C -0.616 174.142 174.700 0.098 0.000 1.045 238 T CA 0.303 62.420 62.100 0.029 0.000 1.134 238 T CB 0.175 69.035 68.868 -0.013 0.000 0.961 238 T HN 0.210 nan 8.240 nan 0.000 0.545 239 Y N 3.648 123.944 120.300 -0.008 0.000 2.385 239 Y HA 0.386 4.935 4.550 -0.001 0.000 0.341 239 Y C 0.214 176.132 175.900 0.031 0.000 0.965 239 Y CA -2.121 55.990 58.100 0.019 0.000 1.180 239 Y CB 0.293 38.787 38.460 0.058 0.000 1.139 239 Y HN 0.578 nan 8.280 nan 0.000 0.502 240 S N 6.255 121.971 115.700 0.028 0.000 2.409 240 S HA 0.291 4.760 4.470 -0.001 0.000 0.308 240 S C 1.115 175.489 174.600 -0.377 0.000 1.080 240 S CA -0.598 57.529 58.200 -0.121 0.000 1.081 240 S CB 0.003 63.200 63.200 -0.005 0.000 1.009 240 S HN 0.771 nan 8.310 nan 0.000 0.502 241 I N 1.581 121.783 120.570 -0.613 0.000 2.286 241 I HA -0.085 4.085 4.170 -0.001 0.000 0.248 241 I C 0.109 175.900 176.117 -0.544 0.000 1.115 241 I CA 0.905 61.712 61.300 -0.822 0.000 1.392 241 I CB -0.110 37.484 38.000 -0.678 0.000 1.065 241 I HN 0.602 nan 8.210 nan 0.000 0.418 242 Y N 1.179 121.366 120.300 -0.187 0.000 2.383 242 Y HA 0.368 4.917 4.550 -0.002 0.000 0.344 242 Y C 0.338 176.174 175.900 -0.108 0.000 0.986 242 Y CA -0.968 57.060 58.100 -0.119 0.000 1.175 242 Y CB 0.886 39.294 38.460 -0.087 0.000 1.152 242 Y HN 0.203 nan 8.280 nan 0.000 0.511 243 C N -0.123 119.151 119.300 -0.043 0.000 3.321 243 C HA 0.819 5.278 4.460 -0.001 0.000 0.329 243 C C 0.409 175.346 174.990 -0.088 0.000 1.394 243 C CA -0.350 58.628 59.018 -0.068 0.000 1.291 243 C CB 1.211 28.894 27.740 -0.095 0.000 1.606 243 C HN 0.825 nan 8.230 nan 0.000 0.463 244 T N -1.330 113.170 114.554 -0.091 0.000 3.123 244 T HA 0.260 4.609 4.350 -0.001 0.000 0.266 244 T C 1.110 175.742 174.700 -0.113 0.000 1.170 244 T CA 0.816 62.862 62.100 -0.090 0.000 0.978 244 T CB -0.321 68.507 68.868 -0.066 0.000 2.402 244 T HN 0.981 nan 8.240 nan 0.000 0.525 245 Q N 0.496 120.240 119.800 -0.094 0.000 2.224 245 Q HA 0.054 4.394 4.340 -0.001 0.000 0.203 245 Q C 0.658 176.603 176.000 -0.092 0.000 0.970 245 Q CA 0.741 56.487 55.803 -0.095 0.000 0.865 245 Q CB -0.571 28.127 28.738 -0.067 0.000 0.922 245 Q HN 0.734 nan 8.270 nan 0.000 0.445 246 I N -2.242 118.272 120.570 -0.094 0.000 2.648 246 I HA 0.377 4.546 4.170 -0.001 0.000 0.304 246 I C -0.344 175.676 176.117 -0.162 0.000 1.009 246 I CA -1.355 59.879 61.300 -0.111 0.000 1.114 246 I CB 1.462 39.393 38.000 -0.114 0.000 1.293 246 I HN -0.154 nan 8.210 nan 0.000 0.449 247 Q N 2.885 122.586 119.800 -0.165 0.000 2.330 247 Q HA -0.022 4.318 4.340 -0.001 0.000 0.279 247 Q C 0.330 176.059 176.000 -0.451 0.000 1.024 247 Q CA 0.550 56.249 55.803 -0.173 0.000 0.900 247 Q CB 1.413 30.141 28.738 -0.016 0.000 1.221 247 Q HN 0.958 nan 8.270 nan 0.000 0.396 248 D N 1.852 122.098 120.400 -0.257 0.000 2.263 248 D HA -0.219 4.420 4.640 -0.001 0.000 0.208 248 D C -0.068 176.084 176.300 -0.247 0.000 0.971 248 D CA 1.456 55.306 54.000 -0.250 0.000 0.867 248 D CB 0.071 40.826 40.800 -0.075 0.000 0.929 248 D HN 0.710 nan 8.370 nan 0.000 0.492 249 H N -1.657 117.422 119.070 0.014 0.000 3.642 249 H HA -0.141 4.415 4.556 -0.001 0.000 0.185 249 H C 0.366 175.614 175.328 -0.132 0.000 0.992 249 H CA 1.023 57.007 56.048 -0.107 0.000 1.216 249 H CB -2.047 27.624 29.762 -0.151 0.000 1.055 249 H HN 0.297 nan 8.280 nan 0.000 0.351 250 D N 0.590 121.034 120.400 0.073 0.000 2.182 250 D HA -0.117 4.523 4.640 -0.001 0.000 0.201 250 D C 2.120 178.451 176.300 0.051 0.000 0.986 250 D CA 1.731 55.764 54.000 0.054 0.000 0.847 250 D CB -0.526 40.311 40.800 0.060 0.000 0.942 250 D HN 0.757 nan 8.370 nan 0.000 0.467 251 Y N 0.187 120.504 120.300 0.028 0.000 2.263 251 Y HA -0.008 4.541 4.550 -0.001 0.000 0.292 251 Y C 2.110 178.015 175.900 0.007 0.000 1.130 251 Y CA 0.683 58.793 58.100 0.016 0.000 1.179 251 Y CB -0.763 37.710 38.460 0.021 0.000 0.998 251 Y HN -0.099 nan 8.280 nan 0.000 0.532 252 I N 0.277 120.317 120.570 -0.884 0.000 2.179 252 I HA -0.327 3.843 4.170 -0.001 0.000 0.242 252 I C 2.464 178.427 176.117 -0.255 0.000 1.088 252 I CA 1.402 62.322 61.300 -0.633 0.000 1.357 252 I CB -0.880 36.723 38.000 -0.662 0.000 1.051 252 I HN 0.384 nan 8.210 nan 0.000 0.409 253 C N 0.676 119.881 119.300 -0.159 0.000 2.401 253 C HA -0.172 4.287 4.460 -0.001 0.000 0.276 253 C C 2.731 177.693 174.990 -0.048 0.000 1.233 253 C CA 0.933 59.922 59.018 -0.047 0.000 1.753 253 C CB -1.094 26.642 27.740 -0.007 0.000 2.029 253 C HN 0.495 nan 8.230 nan 0.000 0.478 254 E N 0.313 120.489 120.200 -0.040 0.000 2.051 254 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 254 E C 2.133 178.696 176.600 -0.061 0.000 0.991 254 E CA 1.086 57.471 56.400 -0.024 0.000 0.799 254 E CB -0.204 29.509 29.700 0.021 0.000 0.748 254 E HN 0.633 nan 8.360 nan 0.000 0.449 255 L N 0.250 121.429 121.223 -0.074 0.000 1.994 255 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 255 L C 2.746 179.472 176.870 -0.240 0.000 1.071 255 L CA 1.018 55.795 54.840 -0.106 0.000 0.745 255 L CB -0.428 41.592 42.059 -0.065 0.000 0.892 255 L HN 0.301 nan 8.230 nan 0.000 0.431 256 C N -0.361 118.757 119.300 -0.303 0.000 2.425 256 C HA -0.165 4.295 4.460 -0.001 0.000 0.277 256 C C 2.411 177.097 174.990 -0.506 0.000 1.280 256 C CA 0.387 59.027 59.018 -0.631 0.000 1.744 256 C CB -0.907 26.687 27.740 -0.245 0.000 1.989 256 C HN 0.546 nan 8.230 nan 0.000 0.491 257 D N 0.674 120.948 120.400 -0.209 0.000 2.104 257 D HA -0.062 4.577 4.640 -0.001 0.000 0.194 257 D C 2.335 178.551 176.300 -0.140 0.000 0.994 257 D CA 1.865 55.795 54.000 -0.117 0.000 0.830 257 D CB -0.812 39.959 40.800 -0.049 0.000 0.959 257 D HN 0.552 nan 8.370 nan 0.000 0.452 258 G N 0.672 109.382 108.800 -0.150 0.000 2.421 258 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 258 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 258 G C 1.794 176.587 174.900 -0.177 0.000 1.171 258 G CA 0.367 45.391 45.100 -0.127 0.000 0.775 258 G HN 0.264 nan 8.290 nan 0.000 0.543 259 L N 0.708 121.777 121.223 -0.256 0.000 2.131 259 L HA -0.014 4.326 4.340 -0.001 0.000 0.210 259 L C 3.325 180.142 176.870 -0.089 0.000 1.092 259 L CA 0.866 55.587 54.840 -0.198 0.000 0.759 259 L CB -0.263 41.605 42.059 -0.318 0.000 0.903 259 L HN 0.312 nan 8.230 nan 0.000 0.435 260 A N -0.028 122.705 122.820 -0.145 0.000 1.968 260 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 260 A C 2.391 179.958 177.584 -0.029 0.000 1.169 260 A CA 1.021 53.114 52.037 0.093 0.000 0.638 260 A CB -0.314 18.774 19.000 0.147 0.000 0.812 260 A HN 0.306 nan 8.150 nan 0.000 0.446 261 R N -0.431 119.973 120.500 -0.159 0.000 2.075 261 R HA -0.021 4.319 4.340 -0.001 0.000 0.232 261 R C 2.501 178.432 176.300 -0.615 0.000 1.126 261 R CA 1.064 56.972 56.100 -0.320 0.000 0.963 261 R CB -0.465 29.639 30.300 -0.326 0.000 0.858 261 R HN 0.488 nan 8.270 nan 0.000 0.435 262 A N 1.986 124.448 122.820 -0.598 0.000 1.883 262 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 262 A C 1.756 179.293 177.584 -0.077 0.000 1.186 262 A CA 1.790 53.628 52.037 -0.330 0.000 0.624 262 A CB -0.530 18.400 19.000 -0.117 0.000 0.822 262 A HN 0.255 nan 8.150 nan 0.000 0.444 263 N N 0.092 118.801 118.700 0.014 0.000 2.166 263 N HA -0.088 4.651 4.740 -0.001 0.000 0.186 263 N C 1.803 177.319 175.510 0.010 0.000 1.019 263 N CA 1.431 54.534 53.050 0.088 0.000 0.856 263 N CB -0.854 37.721 38.487 0.146 0.000 0.993 263 N HN 0.479 nan 8.380 nan 0.000 0.426 264 G N -0.212 108.579 108.800 -0.015 0.000 2.422 264 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 264 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 264 G C 1.580 176.505 174.900 0.043 0.000 1.146 264 G CA 1.367 46.464 45.100 -0.005 0.000 0.769 264 G HN 0.270 nan 8.290 nan 0.000 0.547 265 T N 1.283 115.884 114.554 0.078 0.000 2.746 265 T HA -0.015 4.335 4.350 -0.001 0.000 0.267 265 T C 2.400 177.180 174.700 0.134 0.000 1.039 265 T CA 0.810 63.028 62.100 0.197 0.000 1.142 265 T CB -0.164 68.887 68.868 0.305 0.000 0.866 265 T HN 0.161 nan 8.240 nan 0.000 0.444 266 L N 0.103 121.358 121.223 0.054 0.000 2.141 266 L HA 0.032 4.372 4.340 -0.001 0.000 0.209 266 L C 2.337 179.190 176.870 -0.028 0.000 1.094 266 L CA 0.888 55.726 54.840 -0.003 0.000 0.763 266 L CB -0.545 41.541 42.059 0.045 0.000 0.908 266 L HN 0.263 nan 8.230 nan 0.000 0.437 267 I N -0.024 120.525 120.570 -0.035 0.000 2.226 267 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 267 I C 2.252 178.352 176.117 -0.027 0.000 1.100 267 I CA 1.401 62.656 61.300 -0.074 0.000 1.374 267 I CB -0.310 37.581 38.000 -0.182 0.000 1.057 267 I HN 0.254 nan 8.210 nan 0.000 0.413 268 D N 0.891 121.309 120.400 0.030 0.000 2.104 268 D HA -0.221 4.418 4.640 -0.001 0.000 0.194 268 D C 2.040 178.347 176.300 0.012 0.000 0.994 268 D CA 1.305 55.371 54.000 0.111 0.000 0.830 268 D CB -0.100 40.871 40.800 0.286 0.000 0.959 268 D HN 0.173 nan 8.370 nan 0.000 0.452 269 L N 0.133 121.170 121.223 -0.309 0.000 1.989 269 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 269 L C 2.421 179.124 176.870 -0.278 0.000 1.071 269 L CA 1.771 56.134 54.840 -0.795 0.000 0.749 269 L CB -0.861 40.606 42.059 -0.987 0.000 0.890 269 L HN 0.189 nan 8.230 nan 0.000 0.431 270 C N -1.369 117.880 119.300 -0.085 0.000 2.398 270 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 270 C C 2.728 177.737 174.990 0.031 0.000 1.222 270 C CA 1.063 60.128 59.018 0.078 0.000 1.746 270 C CB -1.005 26.830 27.740 0.158 0.000 2.039 270 C HN 0.542 nan 8.230 nan 0.000 0.470 271 V N 0.926 120.832 119.914 -0.013 0.000 2.358 271 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 271 V C 2.090 178.182 176.094 -0.003 0.000 1.047 271 V CA 2.245 64.525 62.300 -0.034 0.000 1.035 271 V CB -0.743 31.032 31.823 -0.081 0.000 0.658 271 V HN 0.442 nan 8.190 nan 0.000 0.452 272 D N 0.171 120.548 120.400 -0.038 0.000 2.104 272 D HA -0.132 4.508 4.640 -0.001 0.000 0.194 272 D C 2.057 178.246 176.300 -0.184 0.000 0.994 272 D CA 1.374 55.290 54.000 -0.141 0.000 0.830 272 D CB -0.246 40.584 40.800 0.051 0.000 0.959 272 D HN 0.378 nan 8.370 nan 0.000 0.452 273 I N -0.495 120.048 120.570 -0.045 0.000 2.179 273 I HA -0.240 3.930 4.170 -0.001 0.000 0.242 273 I C 2.257 178.331 176.117 -0.072 0.000 1.088 273 I CA 0.825 62.072 61.300 -0.087 0.000 1.357 273 I CB -0.180 37.436 38.000 -0.639 0.000 1.051 273 I HN 0.149 nan 8.210 nan 0.000 0.409 274 W N 1.478 122.646 121.300 -0.221 0.000 2.318 274 W HA -0.276 4.384 4.660 -0.000 0.000 0.313 274 W C 2.333 178.800 176.519 -0.086 0.000 1.221 274 W CA 1.747 59.033 57.345 -0.098 0.000 1.266 274 W CB -0.232 29.203 29.460 -0.041 0.000 1.150 274 W HN 0.009 nan 8.180 nan 0.000 0.496 275 L N -1.121 120.276 121.223 0.290 0.000 2.017 275 L HA -0.280 4.060 4.340 -0.001 0.000 0.208 275 L C 2.365 179.216 176.870 -0.033 0.000 1.073 275 L CA 1.390 56.302 54.840 0.120 0.000 0.745 275 L CB -1.326 40.721 42.059 -0.021 0.000 0.894 275 L HN 0.017 nan 8.230 nan 0.000 0.432 276 Y N -0.028 120.292 120.300 0.034 0.000 2.165 276 Y HA -0.244 4.306 4.550 -0.001 0.000 0.286 276 Y C 2.465 178.301 175.900 -0.106 0.000 1.155 276 Y CA 1.163 59.243 58.100 -0.033 0.000 1.164 276 Y CB -0.696 37.742 38.460 -0.036 0.000 0.978 276 Y HN 0.072 nan 8.280 nan 0.000 0.513 277 I N -1.264 119.312 120.570 0.010 0.000 2.286 277 I HA -0.317 3.853 4.170 -0.001 0.000 0.248 277 I C 2.629 178.653 176.117 -0.155 0.000 1.115 277 I CA 1.683 62.923 61.300 -0.100 0.000 1.392 277 I CB -0.450 37.467 38.000 -0.138 0.000 1.065 277 I HN 0.148 nan 8.210 nan 0.000 0.418 278 S N 0.953 116.524 115.700 -0.215 0.000 2.402 278 S HA -0.118 4.352 4.470 -0.001 0.000 0.229 278 S C 1.638 176.173 174.600 -0.108 0.000 1.021 278 S CA 1.347 59.396 58.200 -0.251 0.000 0.974 278 S CB -0.223 62.779 63.200 -0.329 0.000 0.800 278 S HN 0.414 nan 8.310 nan 0.000 0.484 279 N N 1.666 120.340 118.700 -0.043 0.000 2.398 279 N HA 0.137 4.877 4.740 -0.001 0.000 0.188 279 N C 0.097 175.599 175.510 -0.013 0.000 1.122 279 N CA 0.268 53.316 53.050 -0.002 0.000 0.866 279 N CB -0.433 38.083 38.487 0.048 0.000 0.970 279 N HN 0.510 nan 8.380 nan 0.000 0.462 280 N N -1.008 117.667 118.700 -0.042 0.000 2.829 280 N HA -0.140 4.599 4.740 -0.001 0.000 0.250 280 N C 0.208 175.678 175.510 -0.066 0.000 1.090 280 N CA 0.308 53.325 53.050 -0.054 0.000 0.781 280 N CB -1.299 37.163 38.487 -0.041 0.000 1.124 280 N HN 0.209 nan 8.380 nan 0.000 0.559 281 L N -0.988 120.194 121.223 -0.069 0.000 2.416 281 L HA 0.265 4.605 4.340 -0.001 0.000 0.216 281 L C 0.604 177.325 176.870 -0.249 0.000 1.098 281 L CA 0.633 55.397 54.840 -0.128 0.000 0.840 281 L CB 0.060 42.069 42.059 -0.082 0.000 0.981 281 L HN 0.113 nan 8.230 nan 0.000 0.462 282 L N 0.193 121.283 121.223 -0.222 0.000 2.323 282 L HA 0.498 4.838 4.340 -0.001 0.000 0.265 282 L C -0.675 176.097 176.870 -0.163 0.000 1.012 282 L CA -0.754 53.917 54.840 -0.282 0.000 0.820 282 L CB 2.186 44.053 42.059 -0.320 0.000 1.334 282 L HN 0.001 nan 8.230 nan 0.000 0.427 283 K N 1.311 121.627 120.400 -0.140 0.000 2.443 283 K HA 0.738 5.058 4.320 -0.001 0.000 0.251 283 K C -1.589 174.991 176.600 -0.034 0.000 0.972 283 K CA -0.897 55.344 56.287 -0.077 0.000 0.833 283 K CB 2.307 34.764 32.500 -0.072 0.000 1.317 283 K HN 0.368 nan 8.250 nan 0.000 0.441 284 L N 2.162 123.384 121.223 -0.002 0.000 2.287 284 L HA 0.411 4.751 4.340 -0.001 0.000 0.287 284 L C 0.299 177.184 176.870 0.024 0.000 1.022 284 L CA -0.919 53.945 54.840 0.040 0.000 0.814 284 L CB 1.341 43.443 42.059 0.071 0.000 1.217 284 L HN 0.538 nan 8.230 nan 0.000 0.420 294 S N 2.453 118.163 115.700 0.018 0.000 2.447 294 S HA 0.067 4.537 4.470 -0.001 0.000 0.233 294 S C 0.983 175.589 174.600 0.009 0.000 1.006 294 S CA 1.229 59.438 58.200 0.015 0.000 0.957 294 S CB -0.588 62.621 63.200 0.015 0.000 0.773 294 S HN 0.771 nan 8.310 nan 0.000 0.507 298 H N 0.604 119.672 119.070 -0.003 0.000 2.542 298 H HA 0.295 4.850 4.556 -0.001 0.000 0.283 298 H C 0.474 175.796 175.328 -0.010 0.000 1.059 298 H CA -0.470 55.574 56.048 -0.006 0.000 1.162 298 H CB 1.348 31.106 29.762 -0.007 0.000 1.539 298 H HN 0.045 nan 8.280 nan 0.000 0.543 299 K N 2.375 122.832 120.400 0.096 0.000 2.339 299 K HA 0.213 4.532 4.320 -0.001 0.000 0.286 299 K C -0.940 175.679 176.600 0.032 0.000 1.050 299 K CA -0.214 56.098 56.287 0.043 0.000 0.956 299 K CB 0.976 33.489 32.500 0.021 0.000 0.990 299 K HN 0.022 nan 8.250 nan 0.000 0.475 300 V N 6.038 125.959 119.914 0.011 0.000 2.482 300 V HA 0.363 4.483 4.120 -0.001 0.000 0.295 300 V C -1.485 174.602 176.094 -0.010 0.000 1.026 300 V CA -0.838 61.467 62.300 0.007 0.000 0.856 300 V CB 1.477 33.304 31.823 0.006 0.000 1.001 300 V HN 0.833 nan 8.190 nan 0.000 0.424 301 N N 7.950 126.653 118.700 0.005 0.000 2.443 301 N HA 0.530 5.270 4.740 -0.001 0.000 0.295 301 N C -2.511 173.026 175.510 0.045 0.000 1.076 301 N CA -1.593 51.456 53.050 -0.003 0.000 0.919 301 N CB 1.891 40.392 38.487 0.023 0.000 1.176 301 N HN 0.522 nan 8.380 nan 0.000 0.487 302 P HA 0.108 nan 4.420 nan 0.000 0.225 302 P C 1.050 178.511 177.300 0.268 0.000 1.768 302 P CA -0.111 63.121 63.100 0.220 0.000 0.943 302 P CB -0.540 31.283 31.700 0.204 0.000 1.936 303 I N -2.466 118.200 120.570 0.159 0.000 2.493 303 I HA -0.138 4.032 4.170 -0.001 0.000 0.254 303 I C 1.352 177.522 176.117 0.087 0.000 1.160 303 I CA 1.285 62.667 61.300 0.136 0.000 1.445 303 I CB -0.619 37.438 38.000 0.094 0.000 1.086 303 I HN -0.155 nan 8.210 nan 0.000 0.433 304 D N 1.522 121.917 120.400 -0.008 0.000 2.123 304 D HA -0.173 4.466 4.640 -0.001 0.000 0.196 304 D C 2.038 178.210 176.300 -0.213 0.000 0.992 304 D CA 1.706 55.597 54.000 -0.182 0.000 0.833 304 D CB -0.334 40.227 40.800 -0.398 0.000 0.954 304 D HN 0.482 nan 8.370 nan 0.000 0.455 305 F N 1.548 121.558 119.950 0.100 0.000 2.206 305 F HA -0.018 4.509 4.527 -0.001 0.000 0.298 305 F C 2.477 178.346 175.800 0.115 0.000 1.090 305 F CA 0.676 58.741 58.000 0.108 0.000 1.323 305 F CB -0.422 38.666 39.000 0.147 0.000 1.028 305 F HN -0.074 nan 8.300 nan 0.000 0.492 306 E N 0.317 120.708 120.200 0.318 0.000 2.047 306 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 306 E C 1.776 178.455 176.600 0.131 0.000 0.987 306 E CA 1.404 57.943 56.400 0.231 0.000 0.799 306 E CB -0.437 29.426 29.700 0.272 0.000 0.752 306 E HN 0.531 nan 8.360 nan 0.000 0.449 307 N N 0.773 119.531 118.700 0.097 0.000 2.120 307 N HA -0.163 4.577 4.740 -0.001 0.000 0.188 307 N C 1.918 177.432 175.510 0.007 0.000 1.024 307 N CA 0.936 54.015 53.050 0.050 0.000 0.852 307 N CB -0.127 38.377 38.487 0.029 0.000 1.003 307 N HN 0.098 nan 8.380 nan 0.000 0.424 308 A N 1.378 124.198 122.820 -0.000 0.000 1.883 308 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 308 A C 2.064 179.651 177.584 0.005 0.000 1.186 308 A CA 1.616 53.648 52.037 -0.007 0.000 0.624 308 A CB -0.727 18.281 19.000 0.012 0.000 0.822 308 A HN 0.418 nan 8.150 nan 0.000 0.444 309 E N -0.580 119.643 120.200 0.039 0.000 2.070 309 E HA -0.185 4.164 4.350 -0.001 0.000 0.197 309 E C 2.040 178.661 176.600 0.035 0.000 1.004 309 E CA 1.455 57.860 56.400 0.008 0.000 0.805 309 E CB -0.499 29.233 29.700 0.053 0.000 0.744 309 E HN 0.508 nan 8.360 nan 0.000 0.451 310 G N 0.122 108.972 108.800 0.082 0.000 2.404 310 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.215 310 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.215 310 G C 1.291 176.214 174.900 0.038 0.000 1.174 310 G CA 0.951 46.112 45.100 0.102 0.000 0.780 310 G HN 0.307 nan 8.290 nan 0.000 0.537 311 N N -0.053 118.644 118.700 -0.005 0.000 2.309 311 N HA 0.026 4.766 4.740 -0.001 0.000 0.182 311 N C 2.122 177.589 175.510 -0.072 0.000 1.018 311 N CA 0.343 53.374 53.050 -0.031 0.000 0.876 311 N CB -0.093 38.367 38.487 -0.044 0.000 0.972 311 N HN 0.259 nan 8.380 nan 0.000 0.434 312 L N 0.005 121.177 121.223 -0.086 0.000 2.072 312 L HA -0.135 4.204 4.340 -0.001 0.000 0.205 312 L C 2.074 178.860 176.870 -0.140 0.000 1.079 312 L CA 0.900 55.671 54.840 -0.115 0.000 0.752 312 L CB -0.485 41.503 42.059 -0.119 0.000 0.906 312 L HN 0.351 nan 8.230 nan 0.000 0.436 313 H N 0.033 119.058 119.070 -0.076 0.000 2.352 313 H HA -0.131 4.425 4.556 -0.001 0.000 0.299 313 H C 2.404 177.631 175.328 -0.169 0.000 1.097 313 H CA 1.815 57.802 56.048 -0.101 0.000 1.311 313 H CB -0.140 29.566 29.762 -0.093 0.000 1.377 313 H HN 0.335 nan 8.280 nan 0.000 0.504 314 I N 0.604 121.111 120.570 -0.105 0.000 2.179 314 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 314 I C 2.889 178.837 176.117 -0.282 0.000 1.088 314 I CA 0.966 62.090 61.300 -0.294 0.000 1.357 314 I CB -0.383 37.270 38.000 -0.578 0.000 1.051 314 I HN 0.137 nan 8.210 nan 0.000 0.409 315 A N 1.177 123.826 122.820 -0.285 0.000 1.903 315 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 315 A C 2.057 179.252 177.584 -0.649 0.000 1.191 315 A CA 2.460 54.228 52.037 -0.447 0.000 0.638 315 A CB -0.852 17.929 19.000 -0.365 0.000 0.823 315 A HN 0.436 nan 8.150 nan 0.000 0.451 316 N N 0.080 118.603 118.700 -0.295 0.000 2.309 316 N HA -0.027 4.712 4.740 -0.001 0.000 0.182 316 N C 1.776 177.208 175.510 -0.129 0.000 1.018 316 N CA 1.351 54.341 53.050 -0.100 0.000 0.876 316 N CB -0.564 37.941 38.487 0.030 0.000 0.972 316 N HN 0.502 nan 8.380 nan 0.000 0.434 317 A N 0.284 122.984 122.820 -0.199 0.000 1.877 317 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 317 A C 2.023 179.375 177.584 -0.387 0.000 1.186 317 A CA 1.018 52.895 52.037 -0.268 0.000 0.620 317 A CB -0.999 17.805 19.000 -0.327 0.000 0.822 317 A HN 0.212 nan 8.150 nan 0.000 0.443 318 F N -1.080 118.555 119.950 -0.524 0.000 2.095 318 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 318 F C 2.143 177.362 175.800 -0.968 0.000 1.104 318 F CA 1.575 59.088 58.000 -0.812 0.000 1.232 318 F CB -0.503 37.998 39.000 -0.832 0.000 0.987 318 F HN 0.223 nan 8.300 nan 0.000 0.475 319 F N 0.633 120.384 119.950 -0.333 0.000 2.171 319 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 319 F C 2.161 177.885 175.800 -0.128 0.000 1.090 319 F CA 1.046 58.934 58.000 -0.186 0.000 1.293 319 F CB -1.296 37.684 39.000 -0.032 0.000 1.013 319 F HN -0.078 nan 8.300 nan 0.000 0.486 320 K N -0.028 120.393 120.400 0.035 0.000 2.057 320 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 320 K C 2.052 178.632 176.600 -0.033 0.000 1.050 320 K CA 1.261 57.550 56.287 0.004 0.000 0.935 320 K CB -0.690 31.791 32.500 -0.032 0.000 0.715 320 K HN 0.187 nan 8.250 nan 0.000 0.439 321 L N 0.856 121.996 121.223 -0.139 0.000 1.989 321 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 321 L C 1.983 178.891 176.870 0.065 0.000 1.071 321 L CA 1.784 56.557 54.840 -0.112 0.000 0.749 321 L CB -0.532 41.380 42.059 -0.246 0.000 0.890 321 L HN -0.028 nan 8.230 nan 0.000 0.431 322 F N 0.617 120.603 119.950 0.060 0.000 2.069 322 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 322 F C 2.965 178.770 175.800 0.008 0.000 1.113 322 F CA 1.393 59.412 58.000 0.033 0.000 1.214 322 F CB -1.882 37.158 39.000 0.067 0.000 0.978 322 F HN 0.406 nan 8.300 nan 0.000 0.474 323 S N -1.148 114.678 115.700 0.211 0.000 2.522 323 S HA -0.076 4.393 4.470 -0.001 0.000 0.227 323 S C 1.959 176.602 174.600 0.072 0.000 0.986 323 S CA 0.722 58.989 58.200 0.112 0.000 0.929 323 S CB -0.625 62.622 63.200 0.080 0.000 0.769 323 S HN 0.398 nan 8.310 nan 0.000 0.529 324 S N 1.264 117.004 115.700 0.067 0.000 2.441 324 S HA 0.199 4.668 4.470 -0.001 0.000 0.224 324 S C 1.722 176.347 174.600 0.042 0.000 1.043 324 S CA -0.086 58.138 58.200 0.039 0.000 0.948 324 S CB -0.086 63.123 63.200 0.016 0.000 0.810 324 S HN 0.292 nan 8.310 nan 0.000 0.504 325 K N 1.517 121.953 120.400 0.060 0.000 2.242 325 K HA 0.392 4.712 4.320 -0.001 0.000 0.200 325 K C 2.059 178.694 176.600 0.059 0.000 1.050 325 K CA 0.377 56.696 56.287 0.053 0.000 0.981 325 K CB -0.942 31.590 32.500 0.055 0.000 0.795 325 K HN 0.362 nan 8.250 nan 0.000 0.477 326 L N 1.319 122.583 121.223 0.069 0.000 2.079 326 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 326 L C -0.690 176.243 176.870 0.105 0.000 1.081 326 L CA 1.348 56.227 54.840 0.063 0.000 0.752 326 L CB -1.541 40.515 42.059 -0.005 0.000 0.896 326 L HN 0.070 nan 8.230 nan 0.000 0.433 327 P HA -0.062 nan 4.420 nan 0.000 0.226 327 P C 0.352 177.673 177.300 0.036 0.000 1.153 327 P CA 0.949 64.078 63.100 0.049 0.000 0.777 327 P CB -0.179 31.541 31.700 0.034 0.000 0.794 328 T N -3.308 111.269 114.554 0.039 0.000 2.758 328 T HA 0.606 4.955 4.350 -0.001 0.000 0.285 328 T C -0.325 174.393 174.700 0.030 0.000 0.981 328 T CA -0.694 61.422 62.100 0.026 0.000 0.965 328 T CB 1.114 69.993 68.868 0.019 0.000 0.927 328 T HN -0.234 nan 8.240 nan 0.000 0.448 329 S N 2.442 118.153 115.700 0.018 0.000 2.720 329 S HA 0.391 4.860 4.470 -0.001 0.000 0.278 329 S C -0.314 174.288 174.600 0.003 0.000 1.172 329 S CA -0.862 57.347 58.200 0.015 0.000 1.019 329 S CB 0.762 63.970 63.200 0.013 0.000 1.049 329 S HN 0.739 nan 8.310 nan 0.000 0.483 330 R N 3.999 124.501 120.500 0.003 0.000 2.458 330 R HA 0.336 4.675 4.340 -0.001 0.000 0.303 330 R C 0.747 177.044 176.300 -0.006 0.000 1.013 330 R CA 0.256 56.355 56.100 -0.001 0.000 1.026 330 R CB -0.119 30.181 30.300 0.000 0.000 0.948 330 R HN 0.768 nan 8.270 nan 0.000 0.417 331 L N 1.501 122.719 121.223 -0.008 0.000 6.412 331 L HA -0.452 3.887 4.340 -0.001 0.000 0.053 331 L C 1.093 177.952 176.870 -0.017 0.000 2.199 331 L CA 1.082 55.916 54.840 -0.011 0.000 1.611 331 L CB -0.979 41.074 42.059 -0.010 0.000 2.801 331 L HN 0.544 nan 8.230 nan 0.000 1.044 332 Q N 0.871 120.659 119.800 -0.020 0.000 2.403 332 Q HA 0.192 4.532 4.340 -0.001 0.000 0.203 332 Q C -0.163 175.817 176.000 -0.032 0.000 0.932 332 Q CA 0.994 56.779 55.803 -0.030 0.000 0.945 332 Q CB 0.304 29.022 28.738 -0.034 0.000 1.045 332 Q HN 0.454 nan 8.270 nan 0.000 0.511 333 R N -1.353 119.134 120.500 -0.021 0.000 4.562 333 R HA 0.118 4.458 4.340 -0.001 0.000 0.256 333 R C -2.240 174.057 176.300 -0.004 0.000 0.950 333 R CA -0.560 55.531 56.100 -0.014 0.000 1.135 333 R CB -0.381 29.908 30.300 -0.017 0.000 1.264 333 R HN 0.039 nan 8.270 nan 0.000 0.624 334 D N 1.928 122.331 120.400 0.005 0.000 2.299 334 D HA 0.323 4.963 4.640 -0.001 0.000 0.243 334 D C 0.323 176.633 176.300 0.016 0.000 0.982 334 D CA -1.087 52.918 54.000 0.009 0.000 0.924 334 D CB 1.575 42.380 40.800 0.009 0.000 1.238 334 D HN 0.433 nan 8.370 nan 0.000 0.484 335 L N 1.354 122.586 121.223 0.016 0.000 2.554 335 L HA 0.050 4.389 4.340 -0.001 0.000 0.226 335 L C 1.785 178.667 176.870 0.020 0.000 1.137 335 L CA 1.165 56.017 54.840 0.020 0.000 0.863 335 L CB -0.678 41.393 42.059 0.020 0.000 0.985 335 L HN 0.647 nan 8.230 nan 0.000 0.451 336 S N -0.819 114.892 115.700 0.018 0.000 2.440 336 S HA -0.212 4.258 4.470 -0.001 0.000 0.238 336 S C 1.742 176.348 174.600 0.010 0.000 1.010 336 S CA 0.960 59.170 58.200 0.017 0.000 0.972 336 S CB -0.784 62.425 63.200 0.017 0.000 0.774 336 S HN 0.718 nan 8.310 nan 0.000 0.501 337 D N 2.809 123.214 120.400 0.009 0.000 2.178 337 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 337 D C 2.053 178.298 176.300 -0.091 0.000 0.980 337 D CA 1.649 55.633 54.000 -0.026 0.000 0.842 337 D CB -0.860 39.973 40.800 0.055 0.000 0.948 337 D HN 0.666 nan 8.370 nan 0.000 0.472 338 S N 0.293 115.966 115.700 -0.044 0.000 2.414 338 S HA -0.134 4.335 4.470 -0.001 0.000 0.227 338 S C 2.132 176.720 174.600 -0.020 0.000 1.022 338 S CA 1.530 59.697 58.200 -0.055 0.000 0.958 338 S CB -1.008 62.194 63.200 0.003 0.000 0.797 338 S HN 0.461 nan 8.310 nan 0.000 0.493 339 T N 0.570 115.131 114.554 0.012 0.000 2.867 339 T HA 0.025 4.374 4.350 -0.001 0.000 0.268 339 T C 1.794 176.526 174.700 0.053 0.000 1.057 339 T CA 1.145 63.270 62.100 0.042 0.000 1.136 339 T CB -0.926 67.971 68.868 0.049 0.000 0.874 339 T HN 0.242 nan 8.240 nan 0.000 0.466 340 V N 1.381 121.313 119.914 0.029 0.000 2.270 340 V HA -0.045 4.074 4.120 -0.001 0.000 0.245 340 V C 2.623 178.716 176.094 -0.002 0.000 1.043 340 V CA 1.103 63.453 62.300 0.083 0.000 1.014 340 V CB -0.879 30.994 31.823 0.082 0.000 0.645 340 V HN 0.299 nan 8.190 nan 0.000 0.447 341 L N -0.063 121.030 121.223 -0.216 0.000 2.189 341 L HA -0.175 4.164 4.340 -0.001 0.000 0.214 341 L C 2.449 179.210 176.870 -0.183 0.000 1.097 341 L CA 1.765 56.351 54.840 -0.423 0.000 0.764 341 L CB -0.923 40.751 42.059 -0.642 0.000 0.900 341 L HN 0.224 nan 8.230 nan 0.000 0.436 342 R N -0.850 119.656 120.500 0.010 0.000 2.285 342 R HA -0.071 4.269 4.340 -0.001 0.000 0.213 342 R C 1.072 177.445 176.300 0.123 0.000 1.068 342 R CA 0.837 57.029 56.100 0.152 0.000 1.004 342 R CB -0.095 30.289 30.300 0.140 0.000 0.873 342 R HN 0.488 nan 8.270 nan 0.000 0.467 343 N N -0.549 118.224 118.700 0.121 0.000 2.236 343 N HA 0.009 4.748 4.740 -0.001 0.000 0.196 343 N C 0.970 176.539 175.510 0.098 0.000 1.114 343 N CA -0.144 53.011 53.050 0.176 0.000 0.859 343 N CB 0.344 39.109 38.487 0.464 0.000 0.982 343 N HN 0.081 nan 8.380 nan 0.000 0.493 344 I N 0.880 121.385 120.570 -0.109 0.000 2.208 344 I HA -0.114 4.055 4.170 -0.001 0.000 0.245 344 I C 2.117 177.927 176.117 -0.512 0.000 1.097 344 I CA 1.221 62.347 61.300 -0.290 0.000 1.363 344 I CB -0.592 37.119 38.000 -0.482 0.000 1.051 344 I HN 0.170 nan 8.210 nan 0.000 0.413 345 G N -0.718 107.683 108.800 -0.665 0.000 2.491 345 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 345 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 345 G C 1.697 176.406 174.900 -0.319 0.000 1.180 345 G CA 1.058 45.825 45.100 -0.554 0.000 0.774 345 G HN 0.471 nan 8.290 nan 0.000 0.562 346 S N 0.961 116.474 115.700 -0.311 0.000 2.353 346 S HA -0.216 4.254 4.470 -0.001 0.000 0.222 346 S C 2.797 177.055 174.600 -0.570 0.000 1.035 346 S CA 2.026 59.960 58.200 -0.443 0.000 1.025 346 S CB -0.549 62.379 63.200 -0.453 0.000 0.902 346 S HN 0.725 nan 8.310 nan 0.000 0.440 347 S N 2.257 117.539 115.700 -0.696 0.000 2.365 347 S HA -0.104 4.366 4.470 -0.001 0.000 0.225 347 S C 1.802 176.230 174.600 -0.287 0.000 1.039 347 S CA 1.347 59.190 58.200 -0.595 0.000 1.033 347 S CB -0.822 62.214 63.200 -0.274 0.000 0.887 347 S HN 0.484 nan 8.310 nan 0.000 0.447 348 L N 1.039 122.159 121.223 -0.173 0.000 2.313 348 L HA 0.152 4.492 4.340 -0.001 0.000 0.214 348 L C 3.113 179.893 176.870 -0.149 0.000 1.119 348 L CA 0.723 55.517 54.840 -0.078 0.000 0.809 348 L CB -0.763 41.267 42.059 -0.049 0.000 0.933 348 L HN 0.488 nan 8.230 nan 0.000 0.449 349 A N -0.302 122.384 122.820 -0.223 0.000 1.898 349 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 349 A C 2.005 179.389 177.584 -0.333 0.000 1.181 349 A CA 1.253 53.130 52.037 -0.267 0.000 0.620 349 A CB -0.698 18.106 19.000 -0.328 0.000 0.819 349 A HN 0.306 nan 8.150 nan 0.000 0.442 350 Y N -0.271 119.877 120.300 -0.253 0.000 2.165 350 Y HA -0.278 4.272 4.550 -0.001 0.000 0.286 350 Y C 2.905 178.599 175.900 -0.344 0.000 1.155 350 Y CA 0.972 58.913 58.100 -0.265 0.000 1.164 350 Y CB -1.246 37.069 38.460 -0.242 0.000 0.978 350 Y HN 0.379 nan 8.280 nan 0.000 0.513 351 C N -0.590 118.554 119.300 -0.260 0.000 2.393 351 C HA -0.232 4.227 4.460 -0.001 0.000 0.276 351 C C 2.808 177.248 174.990 -0.916 0.000 1.215 351 C CA 1.102 59.744 59.018 -0.627 0.000 1.743 351 C CB -1.402 26.059 27.740 -0.464 0.000 2.044 351 C HN 0.553 nan 8.230 nan 0.000 0.464 352 L N 0.587 121.513 121.223 -0.495 0.000 2.046 352 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 352 L C 2.199 178.945 176.870 -0.207 0.000 1.077 352 L CA 1.734 56.403 54.840 -0.286 0.000 0.747 352 L CB -0.623 41.367 42.059 -0.114 0.000 0.896 352 L HN 0.338 nan 8.230 nan 0.000 0.432 353 I N -0.538 119.893 120.570 -0.232 0.000 2.118 353 I HA -0.379 3.791 4.170 -0.001 0.000 0.241 353 I C 2.606 178.600 176.117 -0.205 0.000 1.070 353 I CA 1.491 62.645 61.300 -0.243 0.000 1.327 353 I CB -0.738 37.030 38.000 -0.387 0.000 1.034 353 I HN 0.359 nan 8.210 nan 0.000 0.405 354 A N 0.224 122.917 122.820 -0.211 0.000 1.877 354 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 354 A C 2.215 179.826 177.584 0.044 0.000 1.186 354 A CA 1.646 53.618 52.037 -0.107 0.000 0.620 354 A CB -0.996 17.943 19.000 -0.102 0.000 0.822 354 A HN 0.406 nan 8.150 nan 0.000 0.443 355 Y N 0.265 120.542 120.300 -0.037 0.000 2.224 355 Y HA -0.135 4.414 4.550 -0.001 0.000 0.289 355 Y C 2.285 178.166 175.900 -0.032 0.000 1.146 355 Y CA 1.152 59.240 58.100 -0.020 0.000 1.182 355 Y CB -0.813 37.647 38.460 -0.001 0.000 0.983 355 Y HN 0.335 nan 8.280 nan 0.000 0.524 356 K N -0.504 119.962 120.400 0.110 0.000 2.148 356 K HA -0.100 4.220 4.320 -0.001 0.000 0.204 356 K C 2.339 178.930 176.600 -0.015 0.000 1.050 356 K CA 1.366 57.676 56.287 0.037 0.000 0.942 356 K CB -0.184 32.322 32.500 0.010 0.000 0.724 356 K HN 0.081 nan 8.250 nan 0.000 0.446 357 S N 0.478 116.148 115.700 -0.049 0.000 2.371 357 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 357 S C 2.053 176.538 174.600 -0.191 0.000 1.029 357 S CA 0.874 59.006 58.200 -0.114 0.000 0.978 357 S CB -0.075 63.054 63.200 -0.118 0.000 0.833 357 S HN 0.030 nan 8.310 nan 0.000 0.466 358 V N 2.242 122.093 119.914 -0.105 0.000 2.252 358 V HA -0.220 3.900 4.120 -0.001 0.000 0.249 358 V C 2.213 178.255 176.094 -0.086 0.000 1.056 358 V CA 1.731 63.971 62.300 -0.099 0.000 1.022 358 V CB -0.797 31.063 31.823 0.061 0.000 0.641 358 V HN 0.376 nan 8.190 nan 0.000 0.445 359 L N -0.586 120.626 121.223 -0.019 0.000 1.989 359 L HA -0.243 4.096 4.340 -0.001 0.000 0.211 359 L C 2.595 179.449 176.870 -0.026 0.000 1.071 359 L CA 1.989 56.832 54.840 0.005 0.000 0.749 359 L CB -0.629 41.446 42.059 0.027 0.000 0.890 359 L HN 0.242 nan 8.230 nan 0.000 0.431 360 K N -0.367 119.995 120.400 -0.064 0.000 2.044 360 K HA -0.190 4.129 4.320 -0.001 0.000 0.210 360 K C 2.085 178.611 176.600 -0.123 0.000 1.049 360 K CA 1.517 57.760 56.287 -0.074 0.000 0.927 360 K CB -0.666 31.785 32.500 -0.082 0.000 0.713 360 K HN 0.462 nan 8.250 nan 0.000 0.443 361 G N 1.021 109.626 108.800 -0.325 0.000 2.421 361 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.216 361 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.216 361 G C 1.458 176.376 174.900 0.030 0.000 1.171 361 G CA 0.614 45.368 45.100 -0.577 0.000 0.775 361 G HN 0.112 nan 8.290 nan 0.000 0.543 362 L N 0.592 121.905 121.223 0.150 0.000 2.131 362 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 362 L C 2.408 179.410 176.870 0.220 0.000 1.092 362 L CA 0.701 55.734 54.840 0.321 0.000 0.759 362 L CB -0.341 41.867 42.059 0.249 0.000 0.903 362 L HN 0.135 nan 8.230 nan 0.000 0.435 363 N N 0.185 118.963 118.700 0.130 0.000 2.459 363 N HA -0.110 4.630 4.740 -0.001 0.000 0.181 363 N C 1.480 177.053 175.510 0.105 0.000 1.046 363 N CA 0.911 54.024 53.050 0.105 0.000 0.904 363 N CB 0.045 38.570 38.487 0.064 0.000 0.964 363 N HN 0.387 nan 8.380 nan 0.000 0.444 364 K N 0.033 120.504 120.400 0.118 0.000 2.379 364 K HA 0.212 4.532 4.320 -0.001 0.000 0.194 364 K C 0.400 177.078 176.600 0.129 0.000 1.031 364 K CA -0.016 56.337 56.287 0.109 0.000 1.037 364 K CB 0.619 33.178 32.500 0.098 0.000 0.824 364 K HN 0.098 nan 8.250 nan 0.000 0.516 365 I N 2.182 122.860 120.570 0.181 0.000 2.618 365 I HA -0.062 4.108 4.170 -0.001 0.000 0.284 365 I C -0.040 176.136 176.117 0.099 0.000 1.146 365 I CA 0.219 61.606 61.300 0.146 0.000 1.425 365 I CB 0.339 38.470 38.000 0.218 0.000 1.383 365 I HN 0.051 nan 8.210 nan 0.000 0.562 366 D N 5.740 126.133 120.400 -0.011 0.000 2.645 366 D HA 0.433 5.073 4.640 -0.001 0.000 0.228 366 D C -0.487 175.646 176.300 -0.279 0.000 1.148 366 D CA -0.628 53.336 54.000 -0.060 0.000 0.860 366 D CB 1.891 42.688 40.800 -0.005 0.000 1.548 366 D HN 0.373 nan 8.370 nan 0.000 0.460 367 I N -0.938 119.367 120.570 -0.441 0.000 2.779 367 I HA 0.355 4.524 4.170 -0.001 0.000 0.285 367 I C 0.000 175.954 176.117 -0.273 0.000 1.134 367 I CA -0.191 60.798 61.300 -0.518 0.000 1.398 367 I CB 0.750 38.375 38.000 -0.626 0.000 1.404 367 I HN 0.098 nan 8.210 nan 0.000 0.587 368 D N 4.570 124.821 120.400 -0.249 0.000 2.479 368 D HA 0.226 4.866 4.640 -0.001 0.000 0.247 368 D C 0.913 177.139 176.300 -0.125 0.000 1.119 368 D CA -0.367 53.543 54.000 -0.149 0.000 0.922 368 D CB 0.881 41.605 40.800 -0.128 0.000 1.014 368 D HN 0.630 nan 8.370 nan 0.000 0.510 369 R N 1.349 121.793 120.500 -0.094 0.000 2.080 369 R HA -0.221 4.118 4.340 -0.001 0.000 0.236 369 R C 2.538 178.814 176.300 -0.041 0.000 1.137 369 R CA 2.193 58.255 56.100 -0.062 0.000 0.943 369 R CB 0.001 30.285 30.300 -0.027 0.000 0.846 369 R HN 0.328 nan 8.270 nan 0.000 0.431 370 R N 1.421 121.903 120.500 -0.030 0.000 2.091 370 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 370 R C 1.749 178.038 176.300 -0.017 0.000 1.136 370 R CA 1.975 58.066 56.100 -0.015 0.000 0.959 370 R CB -1.530 28.763 30.300 -0.010 0.000 0.856 370 R HN 0.323 nan 8.270 nan 0.000 0.437 371 N N 0.499 119.180 118.700 -0.032 0.000 2.216 371 N HA -0.012 4.727 4.740 -0.001 0.000 0.183 371 N C 1.962 177.453 175.510 -0.031 0.000 1.017 371 N CA 1.424 54.456 53.050 -0.030 0.000 0.861 371 N CB -0.222 38.241 38.487 -0.040 0.000 0.986 371 N HN 0.443 nan 8.380 nan 0.000 0.428 372 L N 1.629 122.819 121.223 -0.055 0.000 2.012 372 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 372 L C 2.458 179.311 176.870 -0.028 0.000 1.073 372 L CA 1.465 56.273 54.840 -0.055 0.000 0.748 372 L CB -0.472 41.532 42.059 -0.090 0.000 0.891 372 L HN 0.344 nan 8.230 nan 0.000 0.431 373 E N -0.146 120.042 120.200 -0.019 0.000 2.107 373 E HA -0.242 4.108 4.350 -0.001 0.000 0.191 373 E C 1.855 178.466 176.600 0.020 0.000 0.982 373 E CA 1.054 57.453 56.400 -0.001 0.000 0.809 373 E CB -0.298 29.407 29.700 0.007 0.000 0.756 373 E HN 0.520 nan 8.360 nan 0.000 0.459 374 E N 1.291 121.504 120.200 0.021 0.000 2.058 374 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 374 E C 2.112 178.739 176.600 0.045 0.000 0.997 374 E CA 1.569 57.992 56.400 0.037 0.000 0.801 374 E CB -0.011 29.705 29.700 0.026 0.000 0.746 374 E HN 0.383 nan 8.360 nan 0.000 0.450 375 E N 0.444 120.661 120.200 0.028 0.000 2.058 375 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 375 E C 2.120 178.740 176.600 0.033 0.000 0.997 375 E CA 0.884 57.304 56.400 0.033 0.000 0.801 375 E CB -0.050 29.664 29.700 0.024 0.000 0.746 375 E HN 0.208 nan 8.360 nan 0.000 0.450 376 L N 0.888 122.116 121.223 0.009 0.000 2.042 376 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 376 L C 2.409 179.260 176.870 -0.031 0.000 1.076 376 L CA 1.307 56.128 54.840 -0.032 0.000 0.749 376 L CB -0.359 41.664 42.059 -0.059 0.000 0.893 376 L HN 0.192 nan 8.230 nan 0.000 0.432 377 N N -0.291 118.449 118.700 0.067 0.000 2.512 377 N HA -0.142 4.597 4.740 -0.001 0.000 0.183 377 N C 1.401 177.124 175.510 0.355 0.000 1.073 377 N CA 0.768 53.969 53.050 0.251 0.000 0.911 377 N CB 0.159 38.792 38.487 0.244 0.000 0.964 377 N HN 0.378 nan 8.380 nan 0.000 0.447 378 Q N -1.054 118.869 119.800 0.205 0.000 2.280 378 Q HA 0.249 4.589 4.340 -0.001 0.000 0.201 378 Q C -0.406 175.708 176.000 0.190 0.000 0.890 378 Q CA 0.070 55.986 55.803 0.189 0.000 0.947 378 Q CB 0.492 29.294 28.738 0.106 0.000 1.081 378 Q HN 0.246 nan 8.270 nan 0.000 0.502 379 N N -0.782 118.026 118.700 0.180 0.000 2.642 379 N HA 0.043 4.782 4.740 -0.001 0.000 0.308 379 N C -0.537 175.012 175.510 0.065 0.000 1.914 379 N CA -0.066 53.049 53.050 0.108 0.000 0.893 379 N CB 0.311 38.827 38.487 0.048 0.000 1.322 379 N HN 0.269 nan 8.380 nan 0.000 0.490 380 W N 1.539 122.848 121.300 0.016 0.000 2.465 380 W HA -0.126 4.534 4.660 -0.001 0.000 0.268 380 W C 2.474 178.991 176.519 -0.003 0.000 1.242 380 W CA 0.942 58.291 57.345 0.007 0.000 1.248 380 W CB -0.105 29.360 29.460 0.007 0.000 1.118 380 W HN 0.253 nan 8.180 nan 0.000 0.587 381 S N -0.701 115.105 115.700 0.177 0.000 2.440 381 S HA -0.221 4.248 4.470 -0.001 0.000 0.238 381 S C 1.711 176.336 174.600 0.042 0.000 1.010 381 S CA 1.659 59.913 58.200 0.091 0.000 0.972 381 S CB -1.341 61.903 63.200 0.073 0.000 0.774 381 S HN 0.351 nan 8.310 nan 0.000 0.501 382 T N -0.074 114.494 114.554 0.025 0.000 3.155 382 T HA 0.187 4.537 4.350 -0.001 0.000 0.264 382 T C 1.302 175.978 174.700 -0.040 0.000 1.160 382 T CA 0.442 62.555 62.100 0.022 0.000 1.075 382 T CB -0.676 68.217 68.868 0.042 0.000 0.921 382 T HN 0.481 nan 8.240 nan 0.000 0.533 383 L N -0.012 121.147 121.223 -0.106 0.000 2.611 383 L HA 0.391 4.731 4.340 -0.001 0.000 0.229 383 L C 2.847 179.620 176.870 -0.161 0.000 1.137 383 L CA 0.218 54.917 54.840 -0.236 0.000 0.901 383 L CB -0.606 41.345 42.059 -0.181 0.000 1.098 383 L HN 0.350 nan 8.230 nan 0.000 0.456 384 A N 0.814 123.588 122.820 -0.076 0.000 1.883 384 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 384 A C 2.267 179.830 177.584 -0.035 0.000 1.186 384 A CA 2.157 54.161 52.037 -0.055 0.000 0.624 384 A CB -0.323 18.674 19.000 -0.005 0.000 0.822 384 A HN 0.496 nan 8.150 nan 0.000 0.444 385 E N -0.429 119.762 120.200 -0.016 0.000 2.047 385 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 385 E C -0.561 176.034 176.600 -0.008 0.000 0.987 385 E CA 1.184 57.603 56.400 0.033 0.000 0.799 385 E CB -0.478 29.288 29.700 0.109 0.000 0.752 385 E HN 0.486 nan 8.360 nan 0.000 0.449 386 P HA -0.142 nan 4.420 nan 0.000 0.218 386 P C 1.448 178.705 177.300 -0.072 0.000 1.149 386 P CA 1.206 64.212 63.100 -0.156 0.000 0.817 386 P CB -0.104 31.268 31.700 -0.547 0.000 0.785 387 I N 0.008 120.532 120.570 -0.077 0.000 2.163 387 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 387 I C 2.841 178.994 176.117 0.059 0.000 1.085 387 I CA 1.659 62.961 61.300 0.004 0.000 1.347 387 I CB -0.946 37.086 38.000 0.054 0.000 1.044 387 I HN -0.056 nan 8.210 nan 0.000 0.408 388 Q N 0.235 120.078 119.800 0.071 0.000 2.135 388 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 388 Q C 2.338 178.417 176.000 0.132 0.000 0.981 388 Q CA 1.291 57.167 55.803 0.121 0.000 0.856 388 Q CB -0.041 28.776 28.738 0.133 0.000 0.902 388 Q HN 0.431 nan 8.270 nan 0.000 0.425 389 I N 0.162 120.794 120.570 0.104 0.000 2.179 389 I HA -0.134 4.036 4.170 -0.001 0.000 0.242 389 I C 1.444 177.635 176.117 0.125 0.000 1.088 389 I CA 0.824 62.189 61.300 0.109 0.000 1.357 389 I CB -0.920 37.139 38.000 0.099 0.000 1.051 389 I HN -0.021 nan 8.210 nan 0.000 0.409 393 R N 1.202 121.794 120.500 0.153 0.000 2.115 393 R HA -0.037 4.302 4.340 -0.001 0.000 0.230 393 R C 0.328 176.559 176.300 -0.115 0.000 1.111 393 R CA 1.532 57.639 56.100 0.012 0.000 0.976 393 R CB 0.015 30.307 30.300 -0.014 0.000 0.870 393 R HN 0.212 nan 8.270 nan 0.000 0.445 394 H N 0.374 119.546 119.070 0.171 0.000 2.524 394 H HA 0.293 4.849 4.556 -0.001 0.000 0.297 394 H C -0.362 175.100 175.328 0.223 0.000 1.115 394 H CA -0.222 55.950 56.048 0.207 0.000 1.027 394 H CB 0.282 30.201 29.762 0.262 0.000 1.591 394 H HN 0.233 nan 8.280 nan 0.000 0.543 395 N N -0.918 117.907 118.700 0.209 0.000 2.850 395 N HA -0.266 4.473 4.740 -0.001 0.000 0.249 395 N C -0.482 175.085 175.510 0.095 0.000 1.060 395 N CA 0.486 53.607 53.050 0.118 0.000 0.825 395 N CB -1.752 36.772 38.487 0.061 0.000 1.132 395 N HN 0.474 nan 8.380 nan 0.000 0.564 396 Y N 0.939 121.283 120.300 0.073 0.000 2.497 396 Y HA 0.257 4.807 4.550 -0.001 0.000 0.334 396 Y C 0.624 176.546 175.900 0.036 0.000 1.199 396 Y CA 0.308 58.416 58.100 0.013 0.000 1.425 396 Y CB 0.746 39.287 38.460 0.135 0.000 1.291 396 Y HN -0.091 nan 8.280 nan 0.000 0.562 397 V N 5.182 124.836 119.914 -0.434 0.000 2.680 397 V HA 0.219 4.338 4.120 -0.001 0.000 0.309 397 V C -0.748 175.257 176.094 -0.148 0.000 1.052 397 V CA -0.973 61.209 62.300 -0.196 0.000 0.908 397 V CB 1.692 33.392 31.823 -0.204 0.000 1.001 397 V HN 0.892 nan 8.190 nan 0.000 0.431 398 D N 2.715 123.152 120.400 0.062 0.000 2.746 398 D HA -0.195 4.444 4.640 -0.001 0.000 0.236 398 D C 1.255 177.755 176.300 0.334 0.000 1.129 398 D CA 1.056 55.149 54.000 0.155 0.000 0.691 398 D CB -0.817 40.033 40.800 0.084 0.000 1.077 398 D HN 0.808 nan 8.370 nan 0.000 0.432 399 A N -0.613 122.465 122.820 0.431 0.000 1.940 399 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 399 A C 1.963 179.724 177.584 0.295 0.000 1.176 399 A CA 1.889 54.197 52.037 0.451 0.000 0.631 399 A CB -0.542 18.677 19.000 0.366 0.000 0.814 399 A HN 0.529 nan 8.150 nan 0.000 0.446 400 Y N 0.528 120.915 120.300 0.145 0.000 2.133 400 Y HA -0.168 4.381 4.550 -0.001 0.000 0.287 400 Y C 2.277 178.222 175.900 0.076 0.000 1.134 400 Y CA 2.304 60.450 58.100 0.077 0.000 1.133 400 Y CB -0.426 38.070 38.460 0.060 0.000 0.987 400 Y HN 0.380 nan 8.280 nan 0.000 0.502 401 E N 0.383 120.624 120.200 0.069 0.000 2.153 401 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 401 E C 2.052 178.655 176.600 0.004 0.000 0.988 401 E CA 1.480 57.872 56.400 -0.014 0.000 0.811 401 E CB -0.216 29.562 29.700 0.130 0.000 0.746 401 E HN 0.591 nan 8.360 nan 0.000 0.466 402 E N -0.461 119.816 120.200 0.128 0.000 2.072 402 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 402 E C 1.825 178.535 176.600 0.183 0.000 0.985 402 E CA 1.004 57.541 56.400 0.228 0.000 0.801 402 E CB -0.337 29.597 29.700 0.389 0.000 0.750 402 E HN 0.322 nan 8.360 nan 0.000 0.452 403 L N 1.009 122.192 121.223 -0.068 0.000 2.056 403 L HA -0.054 4.286 4.340 -0.001 0.000 0.207 403 L C 2.218 178.946 176.870 -0.237 0.000 1.078 403 L CA 1.926 56.513 54.840 -0.421 0.000 0.749 403 L CB -0.559 41.121 42.059 -0.632 0.000 0.901 403 L HN 0.083 nan 8.230 nan 0.000 0.433 404 K N -0.848 119.359 120.400 -0.321 0.000 2.032 404 K HA -0.254 4.065 4.320 -0.001 0.000 0.209 404 K C 2.140 178.677 176.600 -0.105 0.000 1.048 404 K CA 1.995 58.103 56.287 -0.300 0.000 0.927 404 K CB -0.160 32.046 32.500 -0.490 0.000 0.712 404 K HN 0.443 nan 8.250 nan 0.000 0.441 405 Q N -0.572 119.212 119.800 -0.027 0.000 2.084 405 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 405 Q C 1.874 177.939 176.000 0.108 0.000 0.978 405 Q CA 1.863 57.696 55.803 0.050 0.000 0.844 405 Q CB -0.159 28.632 28.738 0.089 0.000 0.898 405 Q HN 0.348 nan 8.270 nan 0.000 0.426 406 F N 0.394 120.356 119.950 0.019 0.000 2.293 406 F HA -0.131 4.396 4.527 -0.001 0.000 0.300 406 F C 2.042 177.846 175.800 0.008 0.000 1.086 406 F CA 1.653 59.692 58.000 0.064 0.000 1.375 406 F CB -0.031 39.099 39.000 0.217 0.000 1.045 406 F HN 0.055 nan 8.300 nan 0.000 0.516 407 T N -2.699 111.823 114.554 -0.054 0.000 3.086 407 T HA 0.108 4.457 4.350 -0.001 0.000 0.250 407 T C 1.003 175.629 174.700 -0.123 0.000 1.074 407 T CA -0.086 61.929 62.100 -0.142 0.000 0.988 407 T CB -0.633 68.193 68.868 -0.070 0.000 0.988 407 T HN 0.052 nan 8.240 nan 0.000 0.530 408 R N 1.215 121.659 120.500 -0.095 0.000 2.501 408 R HA 0.363 4.703 4.340 -0.001 0.000 0.319 408 R C 1.673 177.925 176.300 -0.080 0.000 0.913 408 R CA 0.984 57.042 56.100 -0.069 0.000 1.104 408 R CB -1.514 28.759 30.300 -0.045 0.000 0.901 408 R HN 1.163 nan 8.270 nan 0.000 0.407 409 G N 2.749 111.512 108.800 -0.062 0.000 2.176 409 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.253 409 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.253 409 G C -0.048 174.812 174.900 -0.067 0.000 0.979 409 G CA 0.691 45.758 45.100 -0.057 0.000 0.641 409 G HN 0.666 nan 8.290 nan 0.000 0.530 410 K N -0.195 120.155 120.400 -0.084 0.000 2.208 410 K HA 0.646 4.965 4.320 -0.001 0.000 0.247 410 K C -0.101 176.465 176.600 -0.057 0.000 0.953 410 K CA -0.940 55.294 56.287 -0.088 0.000 0.837 410 K CB 2.766 35.179 32.500 -0.144 0.000 1.131 410 K HN -0.002 nan 8.250 nan 0.000 0.431 411 V N 4.087 123.974 119.914 -0.045 0.000 2.339 411 V HA 0.153 4.273 4.120 -0.001 0.000 0.261 411 V C 0.317 176.401 176.094 -0.016 0.000 1.058 411 V CA -0.534 61.752 62.300 -0.023 0.000 0.897 411 V CB -0.216 31.598 31.823 -0.016 0.000 1.052 411 V HN 0.621 nan 8.190 nan 0.000 0.480 412 I N 6.534 127.103 120.570 -0.002 0.000 2.741 412 I HA 0.111 4.281 4.170 -0.001 0.000 0.288 412 I C 0.382 176.524 176.117 0.042 0.000 1.192 412 I CA 0.624 61.936 61.300 0.019 0.000 1.426 412 I CB 0.241 38.262 38.000 0.034 0.000 1.367 412 I HN 0.758 nan 8.210 nan 0.000 0.563 413 D N 4.268 124.686 120.400 0.030 0.000 2.744 413 D HA 0.066 4.706 4.640 -0.001 0.000 0.304 413 D C 0.315 176.575 176.300 -0.067 0.000 1.179 413 D CA -0.691 53.312 54.000 0.006 0.000 1.024 413 D CB 0.802 41.574 40.800 -0.047 0.000 1.453 413 D HN 0.503 nan 8.370 nan 0.000 0.529 414 Q N -0.310 119.265 119.800 -0.374 0.000 2.096 414 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 414 Q C 1.182 176.910 176.000 -0.453 0.000 0.982 414 Q CA 1.688 56.960 55.803 -0.884 0.000 0.850 414 Q CB 0.062 27.797 28.738 -1.671 0.000 0.901 414 Q HN 0.213 nan 8.270 nan 0.000 0.422 415 K N 0.425 120.656 120.400 -0.282 0.000 2.057 415 K HA 0.060 4.379 4.320 -0.001 0.000 0.206 415 K C 0.893 177.480 176.600 -0.023 0.000 1.050 415 K CA 0.583 56.781 56.287 -0.148 0.000 0.935 415 K CB -0.219 32.213 32.500 -0.114 0.000 0.715 415 K HN 0.239 nan 8.250 nan 0.000 0.439 419 E N 1.191 121.440 120.200 0.082 0.000 2.106 419 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 419 E C 1.332 177.916 176.600 -0.028 0.000 0.984 419 E CA 1.220 57.675 56.400 0.092 0.000 0.806 419 E CB -0.132 29.703 29.700 0.224 0.000 0.750 419 E HN 0.299 nan 8.360 nan 0.000 0.458 420 F N 0.532 120.358 119.950 -0.206 0.000 2.095 420 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 420 F C 1.880 177.458 175.800 -0.371 0.000 1.104 420 F CA 1.634 59.267 58.000 -0.611 0.000 1.232 420 F CB -0.210 38.521 39.000 -0.448 0.000 0.987 420 F HN 0.042 nan 8.300 nan 0.000 0.475 421 I N -0.030 120.455 120.570 -0.143 0.000 2.142 421 I HA -0.308 3.861 4.170 -0.001 0.000 0.240 421 I C 2.345 178.296 176.117 -0.277 0.000 1.078 421 I CA 1.479 62.654 61.300 -0.208 0.000 1.343 421 I CB -0.540 37.425 38.000 -0.059 0.000 1.046 421 I HN 0.011 nan 8.210 nan 0.000 0.405 422 K N 0.426 120.711 120.400 -0.192 0.000 2.032 422 K HA -0.183 4.137 4.320 -0.001 0.000 0.209 422 K C 2.077 178.554 176.600 -0.206 0.000 1.048 422 K CA 2.306 58.493 56.287 -0.165 0.000 0.927 422 K CB -0.341 32.100 32.500 -0.098 0.000 0.712 422 K HN 0.553 nan 8.250 nan 0.000 0.441 423 T N -2.697 111.699 114.554 -0.263 0.000 3.034 423 T HA 0.149 4.499 4.350 -0.001 0.000 0.248 423 T C 1.479 175.987 174.700 -0.320 0.000 1.040 423 T CA 0.003 61.962 62.100 -0.235 0.000 1.107 423 T CB 0.188 68.960 68.868 -0.160 0.000 0.932 423 T HN -0.108 nan 8.240 nan 0.000 0.474 424 K N 0.426 120.474 120.400 -0.586 0.000 2.356 424 K HA 0.293 4.613 4.320 -0.001 0.000 0.195 424 K C 1.095 177.370 176.600 -0.541 0.000 1.037 424 K CA 0.265 56.153 56.287 -0.665 0.000 1.014 424 K CB 0.023 31.756 32.500 -1.279 0.000 0.815 424 K HN 0.404 nan 8.250 nan 0.000 0.507 425 C N 0.757 119.695 119.300 -0.603 0.000 2.881 425 C HA 0.370 4.830 4.460 -0.001 0.000 0.290 425 C C 1.967 176.539 174.990 -0.697 0.000 1.362 425 C CA -0.564 58.041 59.018 -0.687 0.000 1.757 425 C CB -0.639 26.735 27.740 -0.611 0.000 2.265 425 C HN 0.338 nan 8.230 nan 0.000 0.600 426 A N 1.218 123.807 122.820 -0.385 0.000 2.121 426 A HA -0.075 4.245 4.320 -0.001 0.000 0.218 426 A C 1.624 179.082 177.584 -0.210 0.000 1.154 426 A CA 1.080 52.959 52.037 -0.264 0.000 0.679 426 A CB -0.711 18.201 19.000 -0.146 0.000 0.795 426 A HN 0.727 nan 8.150 nan 0.000 0.458 427 F N -0.437 119.442 119.950 -0.118 0.000 2.408 427 F HA 0.185 4.711 4.527 -0.001 0.000 0.300 427 F C 0.497 176.239 175.800 -0.096 0.000 1.090 427 F CA -0.216 57.739 58.000 -0.075 0.000 1.427 427 F CB -0.795 38.188 39.000 -0.028 0.000 1.070 427 F HN -0.014 nan 8.300 nan 0.000 0.549 428 L N 1.860 122.650 121.223 -0.721 0.000 2.467 428 L HA 0.236 4.575 4.340 -0.001 0.000 0.270 428 L C -1.866 174.812 176.870 -0.320 0.000 1.205 428 L CA -2.061 52.426 54.840 -0.589 0.000 0.828 428 L CB -0.285 41.324 42.059 -0.751 0.000 1.101 428 L HN -0.149 nan 8.230 nan 0.000 0.479 429 P HA -0.067 nan 4.420 nan 0.000 0.265 429 P C -0.077 177.134 177.300 -0.149 0.000 1.187 429 P CA -0.010 63.006 63.100 -0.139 0.000 0.766 429 P CB 0.533 32.182 31.700 -0.084 0.000 0.820 430 Q N 2.072 121.812 119.800 -0.100 0.000 2.226 430 Q HA -0.182 4.158 4.340 -0.001 0.000 0.204 430 Q C 1.096 177.048 176.000 -0.079 0.000 0.975 430 Q CA 1.779 57.526 55.803 -0.094 0.000 0.866 430 Q CB -0.555 28.144 28.738 -0.066 0.000 0.915 430 Q HN 0.373 nan 8.270 nan 0.000 0.440 431 D N -1.084 119.279 120.400 -0.061 0.000 2.117 431 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 431 D C 1.744 178.011 176.300 -0.055 0.000 0.987 431 D CA 1.339 55.313 54.000 -0.043 0.000 0.829 431 D CB 0.014 40.801 40.800 -0.021 0.000 0.961 431 D HN 0.180 nan 8.370 nan 0.000 0.460 432 V N 0.912 120.774 119.914 -0.085 0.000 2.358 432 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 432 V C 2.732 178.748 176.094 -0.131 0.000 1.047 432 V CA 0.873 63.110 62.300 -0.105 0.000 1.035 432 V CB -0.478 31.240 31.823 -0.175 0.000 0.658 432 V HN 0.033 nan 8.190 nan 0.000 0.452 433 V N 0.507 120.320 119.914 -0.168 0.000 2.282 433 V HA -0.314 3.806 4.120 -0.001 0.000 0.249 433 V C 2.301 178.336 176.094 -0.099 0.000 1.057 433 V CA 2.379 64.581 62.300 -0.162 0.000 1.032 433 V CB -0.816 30.902 31.823 -0.176 0.000 0.645 433 V HN 0.538 nan 8.190 nan 0.000 0.447 434 D N -0.503 119.853 120.400 -0.073 0.000 2.144 434 D HA -0.172 4.468 4.640 -0.001 0.000 0.199 434 D C 2.348 178.632 176.300 -0.026 0.000 0.984 434 D CA 1.182 55.157 54.000 -0.042 0.000 0.834 434 D CB -0.265 40.516 40.800 -0.032 0.000 0.955 434 D HN 0.538 nan 8.370 nan 0.000 0.465 435 Q N -0.096 119.687 119.800 -0.030 0.000 2.084 435 Q HA -0.053 4.286 4.340 -0.001 0.000 0.202 435 Q C 2.445 178.436 176.000 -0.015 0.000 0.978 435 Q CA 0.717 56.511 55.803 -0.015 0.000 0.844 435 Q CB -0.067 28.663 28.738 -0.012 0.000 0.898 435 Q HN 0.304 nan 8.270 nan 0.000 0.426 436 L N 0.123 121.325 121.223 -0.035 0.000 2.083 436 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 436 L C 2.096 178.969 176.870 0.006 0.000 1.083 436 L CA 0.868 55.690 54.840 -0.031 0.000 0.752 436 L CB -0.300 41.724 42.059 -0.059 0.000 0.899 436 L HN 0.265 nan 8.230 nan 0.000 0.433 437 L N -0.856 120.369 121.223 0.004 0.000 2.376 437 L HA -0.116 4.224 4.340 -0.001 0.000 0.219 437 L C 2.266 179.177 176.870 0.067 0.000 1.133 437 L CA 0.729 55.591 54.840 0.037 0.000 0.816 437 L CB -0.336 41.725 42.059 0.004 0.000 0.933 437 L HN 0.268 nan 8.230 nan 0.000 0.449 438 E N -0.179 120.048 120.200 0.045 0.000 2.371 438 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 438 E C 0.352 176.988 176.600 0.059 0.000 1.012 438 E CA -0.100 56.332 56.400 0.053 0.000 0.860 438 E CB 0.346 30.064 29.700 0.030 0.000 0.811 438 E HN 0.131 nan 8.360 nan 0.000 0.502 439 L N 1.755 123.003 121.223 0.042 0.000 2.453 439 L HA 0.048 4.387 4.340 -0.001 0.000 0.272 439 L C 0.445 177.285 176.870 -0.050 0.000 1.182 439 L CA 0.702 55.536 54.840 -0.011 0.000 0.858 439 L CB 0.896 42.921 42.059 -0.057 0.000 1.120 439 L HN -0.040 nan 8.230 nan 0.000 0.474 440 T N 1.226 115.672 114.554 -0.180 0.000 2.901 440 T HA 0.545 4.894 4.350 -0.001 0.000 0.293 440 T C -2.171 172.225 174.700 -0.506 0.000 1.084 440 T CA -1.750 60.041 62.100 -0.515 0.000 1.008 440 T CB 1.688 70.411 68.868 -0.242 0.000 1.170 440 T HN 0.323 nan 8.240 nan 0.000 0.509 441 P HA -0.083 nan 4.420 nan 0.000 0.215 441 P C 1.660 178.844 177.300 -0.194 0.000 1.157 441 P CA 1.879 64.736 63.100 -0.406 0.000 0.874 441 P CB -0.300 31.105 31.700 -0.492 0.000 0.790 442 A N -1.787 120.920 122.820 -0.189 0.000 2.125 442 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 442 A C 2.075 179.597 177.584 -0.103 0.000 1.156 442 A CA 1.994 53.962 52.037 -0.116 0.000 0.671 442 A CB -1.454 17.496 19.000 -0.083 0.000 0.794 442 A HN 0.181 nan 8.150 nan 0.000 0.459 443 T N -2.702 111.801 114.554 -0.085 0.000 3.044 443 T HA 0.175 4.525 4.350 -0.001 0.000 0.260 443 T C -0.017 174.685 174.700 0.003 0.000 1.019 443 T CA -0.198 61.872 62.100 -0.050 0.000 0.921 443 T CB -0.166 68.683 68.868 -0.031 0.000 1.053 443 T HN 0.462 nan 8.240 nan 0.000 0.533 444 Y N 2.730 122.938 120.300 -0.153 0.000 2.888 444 Y HA 0.296 4.846 4.550 -0.001 0.000 0.341 444 Y C 1.164 176.990 175.900 -0.124 0.000 1.241 444 Y CA -0.415 57.604 58.100 -0.135 0.000 1.440 444 Y CB 0.152 38.529 38.460 -0.137 0.000 1.517 444 Y HN 0.094 nan 8.280 nan 0.000 0.518 445 T N -0.619 113.766 114.554 -0.282 0.000 3.132 445 T HA 0.439 4.789 4.350 -0.001 0.000 0.274 445 T C 1.207 175.723 174.700 -0.308 0.000 1.011 445 T CA 0.171 62.099 62.100 -0.287 0.000 0.899 445 T CB 0.082 68.831 68.868 -0.199 0.000 1.089 445 T HN 0.746 nan 8.240 nan 0.000 0.543 446 G N 2.085 110.643 108.800 -0.403 0.000 2.614 446 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.303 446 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.303 446 G C -0.001 174.623 174.900 -0.459 0.000 1.270 446 G CA 0.615 45.474 45.100 -0.401 0.000 0.988 446 G HN 0.505 nan 8.290 nan 0.000 0.551 447 Y N 2.220 122.496 120.300 -0.040 0.000 2.683 447 Y HA 0.513 5.063 4.550 -0.001 0.000 0.297 447 Y C 2.425 178.370 175.900 0.076 0.000 1.147 447 Y CA 0.815 58.938 58.100 0.037 0.000 1.274 447 Y CB -0.222 38.259 38.460 0.035 0.000 1.143 447 Y HN 0.726 nan 8.280 nan 0.000 0.527 448 A N 0.195 123.055 122.820 0.066 0.000 1.892 448 A HA -0.320 3.999 4.320 -0.001 0.000 0.218 448 A C 1.982 179.599 177.584 0.055 0.000 1.188 448 A CA 2.514 54.569 52.037 0.031 0.000 0.631 448 A CB -0.600 18.374 19.000 -0.042 0.000 0.822 448 A HN 0.531 nan 8.150 nan 0.000 0.447 449 D N -2.415 118.029 120.400 0.074 0.000 2.097 449 D HA -0.209 4.431 4.640 -0.001 0.000 0.197 449 D C 1.805 178.184 176.300 0.130 0.000 0.984 449 D CA 1.441 55.505 54.000 0.106 0.000 0.826 449 D CB -0.331 40.571 40.800 0.170 0.000 0.973 449 D HN 0.499 nan 8.370 nan 0.000 0.460 450 Y N 0.901 121.261 120.300 0.100 0.000 2.081 450 Y HA -0.219 4.330 4.550 -0.001 0.000 0.280 450 Y C 1.919 177.843 175.900 0.040 0.000 1.163 450 Y CA 1.816 59.972 58.100 0.094 0.000 1.135 450 Y CB -0.416 38.153 38.460 0.181 0.000 0.970 450 Y HN 0.064 nan 8.280 nan 0.000 0.498 451 L N -0.431 120.811 121.223 0.031 0.000 2.093 451 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 451 L C 2.794 179.577 176.870 -0.144 0.000 1.085 451 L CA 0.998 55.785 54.840 -0.089 0.000 0.755 451 L CB -0.933 41.163 42.059 0.060 0.000 0.904 451 L HN 0.360 nan 8.230 nan 0.000 0.435 452 A N 1.223 123.988 122.820 -0.092 0.000 1.873 452 A HA -0.209 4.110 4.320 -0.001 0.000 0.215 452 A C 2.301 179.794 177.584 -0.151 0.000 1.186 452 A CA 1.859 53.833 52.037 -0.104 0.000 0.616 452 A CB -0.399 18.565 19.000 -0.060 0.000 0.823 452 A HN 0.514 nan 8.150 nan 0.000 0.442 453 K N -1.179 119.129 120.400 -0.154 0.000 2.366 453 K HA 0.033 4.352 4.320 -0.001 0.000 0.198 453 K C 0.486 176.947 176.600 -0.231 0.000 1.044 453 K CA 1.183 57.370 56.287 -0.168 0.000 0.973 453 K CB -0.148 32.285 32.500 -0.111 0.000 0.767 453 K HN 0.318 nan 8.250 nan 0.000 0.475 454 N N 1.271 119.779 118.700 -0.320 0.000 2.214 454 N HA -0.013 4.727 4.740 -0.001 0.000 0.214 454 N C 1.277 176.625 175.510 -0.269 0.000 1.132 454 N CA 0.070 52.918 53.050 -0.337 0.000 0.856 454 N CB 1.021 39.174 38.487 -0.558 0.000 1.020 454 N HN 0.011 nan 8.380 nan 0.000 0.509 455 V N 1.486 121.247 119.914 -0.256 0.000 2.332 455 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 455 V C 2.339 178.291 176.094 -0.237 0.000 1.055 455 V CA 2.039 64.209 62.300 -0.217 0.000 1.038 455 V CB -0.100 31.603 31.823 -0.200 0.000 0.651 455 V HN 0.324 nan 8.190 nan 0.000 0.450 456 E N -0.407 119.578 120.200 -0.358 0.000 2.051 456 E HA -0.275 4.075 4.350 -0.001 0.000 0.192 456 E C 2.393 178.898 176.600 -0.158 0.000 0.991 456 E CA 1.598 57.828 56.400 -0.284 0.000 0.799 456 E CB -0.164 29.371 29.700 -0.276 0.000 0.748 456 E HN 0.597 nan 8.360 nan 0.000 0.449 457 R N -0.350 120.058 120.500 -0.152 0.000 2.096 457 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 457 R C 1.706 177.954 176.300 -0.087 0.000 1.127 457 R CA 0.749 56.785 56.100 -0.106 0.000 0.968 457 R CB -0.101 30.134 30.300 -0.109 0.000 0.861 457 R HN 0.166 nan 8.270 nan 0.000 0.440 458 L N 1.100 122.261 121.223 -0.104 0.000 2.653 458 L HA 0.179 4.518 4.340 -0.001 0.000 0.232 458 L C -0.137 176.697 176.870 -0.059 0.000 1.169 458 L CA 0.397 55.195 54.840 -0.070 0.000 0.951 458 L CB -0.781 41.228 42.059 -0.084 0.000 1.181 458 L HN 0.077 nan 8.230 nan 0.000 0.460 459 S N 0.000 115.647 115.700 -0.088 0.000 2.498 459 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 459 S CA 0.000 58.105 58.200 -0.158 0.000 1.107 459 S CB 0.000 63.118 63.200 -0.136 0.000 0.593 459 S HN 0.000 nan 8.310 nan 0.000 0.517