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 1t2a_1_C DATA FIRST_RESID 23 DATA SEQUENCE RNVALITGIT GQDGSYLAEF LLEKGYEVHG IVRRSSSFNT GRIEHLYXXX DATA SEQUENCE XXXXXXNMKL HYGDLTDSTC LVKIINEVKP TEIYNLGAQS HVKISFDLAE DATA SEQUENCE YTADVDGVGT LRLLDAVKTC GLINSVKFYQ ASTSELYGKV QEIPQKETTP DATA SEQUENCE FYPRSPYGAA KLYAYWIVVN FREAYNLFAV NGILFNHESP RRGANFVTRK DATA SEQUENCE ISRSVAKIYL GQLECFSLGN LDAKRDWGHA KDYVEAMWLM LQNDEPEDFV DATA SEQUENCE IATGEVHSVR EFVEKSFLHI GKTIVWEGKN ENEVGRCKET GKVHVTVDLK DATA SEQUENCE YYRPTEVDFL QGDCTKAKQK LNWKPRVAFD ELVREMVHAD VELMRTN 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 23 R HA 0.000 nan 4.340 nan 0.000 0.208 23 R C 0.000 176.224 176.300 -0.127 0.000 0.893 23 R CA 0.000 56.056 56.100 -0.074 0.000 0.921 23 R CB 0.000 30.276 30.300 -0.039 0.000 0.687 24 N N 2.783 121.351 118.700 -0.221 0.000 2.531 24 N HA 0.392 5.132 4.740 -0.001 0.000 0.268 24 N C -1.589 173.767 175.510 -0.256 0.000 1.023 24 N CA -0.570 52.214 53.050 -0.444 0.000 0.896 24 N CB 2.597 40.410 38.487 -1.123 0.000 1.233 24 N HN 0.052 nan 8.380 nan 0.000 0.512 25 V N 1.535 121.451 119.914 0.002 0.000 2.482 25 V HA 0.751 4.870 4.120 -0.001 0.000 0.295 25 V C -0.422 175.854 176.094 0.303 0.000 1.026 25 V CA -0.728 61.681 62.300 0.181 0.000 0.856 25 V CB 1.349 33.246 31.823 0.123 0.000 1.001 25 V HN 0.696 nan 8.190 nan 0.000 0.424 26 A N 4.861 127.944 122.820 0.438 0.000 2.325 26 A HA 0.942 5.261 4.320 -0.001 0.000 0.333 26 A C -1.161 176.618 177.584 0.324 0.000 1.155 26 A CA -0.583 51.705 52.037 0.418 0.000 0.814 26 A CB 1.488 20.773 19.000 0.475 0.000 1.206 26 A HN 0.812 nan 8.150 nan 0.000 0.482 27 L N 2.709 124.088 121.223 0.261 0.000 2.325 27 L HA 0.665 5.005 4.340 -0.001 0.000 0.281 27 L C -1.117 175.872 176.870 0.197 0.000 1.004 27 L CA -0.208 54.748 54.840 0.193 0.000 0.823 27 L CB 0.992 43.103 42.059 0.087 0.000 1.236 27 L HN 0.573 nan 8.230 nan 0.000 0.415 28 I N 4.480 125.149 120.570 0.165 0.000 2.355 28 I HA 0.326 4.496 4.170 -0.001 0.000 0.288 28 I C 0.247 176.423 176.117 0.099 0.000 0.999 28 I CA -0.571 60.809 61.300 0.134 0.000 1.163 28 I CB 1.850 39.888 38.000 0.063 0.000 1.316 28 I HN 0.680 nan 8.210 nan 0.000 0.454 29 T N 1.499 116.105 114.554 0.086 0.000 2.910 29 T HA 0.495 4.845 4.350 -0.001 0.000 0.293 29 T C 1.032 175.781 174.700 0.082 0.000 1.015 29 T CA 0.182 62.328 62.100 0.077 0.000 1.094 29 T CB 1.558 70.464 68.868 0.064 0.000 0.968 29 T HN 1.048 nan 8.240 nan 0.000 0.521 30 G N 1.843 110.691 108.800 0.079 0.000 2.176 30 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.252 30 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.252 30 G C 0.487 175.421 174.900 0.057 0.000 1.024 30 G CA 0.246 45.393 45.100 0.078 0.000 0.755 30 G HN 0.979 nan 8.290 nan 0.000 0.507 31 I N 0.652 121.250 120.570 0.046 0.000 2.493 31 I HA -0.109 4.061 4.170 -0.001 0.000 0.254 31 I C 2.695 178.811 176.117 -0.002 0.000 1.160 31 I CA 2.201 63.513 61.300 0.020 0.000 1.445 31 I CB 0.048 38.062 38.000 0.023 0.000 1.086 31 I HN 0.422 nan 8.210 nan 0.000 0.433 32 T N -1.845 112.711 114.554 0.003 0.000 3.118 32 T HA 0.165 4.515 4.350 -0.001 0.000 0.260 32 T C 1.066 175.758 174.700 -0.014 0.000 1.139 32 T CA 0.273 62.359 62.100 -0.023 0.000 1.085 32 T CB -0.652 68.198 68.868 -0.030 0.000 0.934 32 T HN 0.343 nan 8.240 nan 0.000 0.518 33 G N 0.273 109.081 108.800 0.014 0.000 2.588 33 G HA2 0.330 4.289 3.960 -0.001 0.000 0.281 33 G HA3 0.330 4.289 3.960 -0.001 0.000 0.281 33 G C 0.548 175.456 174.900 0.015 0.000 1.236 33 G CA -0.246 44.871 45.100 0.029 0.000 0.969 33 G HN 0.324 nan 8.290 nan 0.000 0.504 34 Q N -0.925 118.890 119.800 0.025 0.000 1.985 34 Q HA -0.197 4.143 4.340 -0.001 0.000 0.207 34 Q C 1.751 177.832 176.000 0.134 0.000 0.996 34 Q CA 2.395 58.228 55.803 0.050 0.000 0.851 34 Q CB -0.209 28.549 28.738 0.034 0.000 0.921 34 Q HN 0.568 nan 8.270 nan 0.000 0.418 35 D N -0.585 119.902 120.400 0.145 0.000 2.117 35 D HA -0.085 4.554 4.640 -0.001 0.000 0.198 35 D C 1.757 178.114 176.300 0.095 0.000 0.982 35 D CA 1.355 55.467 54.000 0.185 0.000 0.828 35 D CB -0.679 40.233 40.800 0.187 0.000 0.967 35 D HN 0.528 nan 8.370 nan 0.000 0.464 36 G N 0.527 109.355 108.800 0.047 0.000 2.422 36 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.218 36 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.218 36 G C 1.735 176.616 174.900 -0.031 0.000 1.146 36 G CA 1.520 46.620 45.100 -0.001 0.000 0.769 36 G HN 0.429 nan 8.290 nan 0.000 0.547 37 S N -0.245 115.425 115.700 -0.050 0.000 2.368 37 S HA -0.101 4.368 4.470 -0.001 0.000 0.224 37 S C 2.136 176.654 174.600 -0.138 0.000 1.029 37 S CA 1.178 59.303 58.200 -0.126 0.000 0.988 37 S CB -0.694 62.387 63.200 -0.198 0.000 0.838 37 S HN 0.455 nan 8.310 nan 0.000 0.462 38 Y N 1.097 121.398 120.300 0.001 0.000 2.263 38 Y HA 0.117 4.666 4.550 -0.001 0.000 0.292 38 Y C 2.427 178.308 175.900 -0.031 0.000 1.130 38 Y CA 0.814 58.918 58.100 0.007 0.000 1.179 38 Y CB -0.321 38.151 38.460 0.019 0.000 0.998 38 Y HN 0.294 nan 8.280 nan 0.000 0.532 39 L N 0.100 121.354 121.223 0.051 0.000 2.093 39 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 39 L C 2.332 179.149 176.870 -0.087 0.000 1.085 39 L CA 1.784 56.565 54.840 -0.098 0.000 0.755 39 L CB -0.878 41.012 42.059 -0.281 0.000 0.904 39 L HN 0.114 nan 8.230 nan 0.000 0.435 40 A N -0.615 122.157 122.820 -0.079 0.000 1.902 40 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 40 A C 2.155 179.696 177.584 -0.071 0.000 1.181 40 A CA 1.849 53.833 52.037 -0.087 0.000 0.623 40 A CB -0.608 18.340 19.000 -0.087 0.000 0.818 40 A HN 0.611 nan 8.150 nan 0.000 0.443 41 E N -1.384 118.798 120.200 -0.031 0.000 2.031 41 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 41 E C 1.809 178.402 176.600 -0.011 0.000 0.994 41 E CA 1.351 57.745 56.400 -0.010 0.000 0.800 41 E CB -0.324 29.412 29.700 0.061 0.000 0.752 41 E HN 0.674 nan 8.360 nan 0.000 0.447 42 F N 1.633 121.502 119.950 -0.135 0.000 2.091 42 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 42 F C 1.982 177.579 175.800 -0.339 0.000 1.103 42 F CA 1.454 59.322 58.000 -0.220 0.000 1.228 42 F CB -0.105 38.754 39.000 -0.236 0.000 0.984 42 F HN -0.079 nan 8.300 nan 0.000 0.477 43 L N -0.479 120.593 121.223 -0.252 0.000 2.093 43 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 43 L C 2.481 179.200 176.870 -0.252 0.000 1.085 43 L CA 0.920 55.466 54.840 -0.491 0.000 0.755 43 L CB -0.788 40.969 42.059 -0.503 0.000 0.904 43 L HN 0.223 nan 8.230 nan 0.000 0.435 44 L N -0.061 121.076 121.223 -0.144 0.000 2.079 44 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 44 L C 2.786 179.597 176.870 -0.099 0.000 1.081 44 L CA 1.163 55.959 54.840 -0.072 0.000 0.752 44 L CB -0.532 41.483 42.059 -0.073 0.000 0.896 44 L HN 0.363 nan 8.230 nan 0.000 0.433 45 E N 1.174 121.265 120.200 -0.181 0.000 2.268 45 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 45 E C 1.494 177.957 176.600 -0.229 0.000 0.995 45 E CA 1.176 57.454 56.400 -0.203 0.000 0.836 45 E CB 0.151 29.701 29.700 -0.250 0.000 0.763 45 E HN 0.438 nan 8.360 nan 0.000 0.491 46 K N -0.723 119.514 120.400 -0.272 0.000 2.417 46 K HA 0.128 4.448 4.320 -0.001 0.000 0.196 46 K C 0.765 177.389 176.600 0.039 0.000 1.023 46 K CA 0.449 56.632 56.287 -0.174 0.000 1.122 46 K CB 0.395 32.717 32.500 -0.297 0.000 0.850 46 K HN 0.261 nan 8.250 nan 0.000 0.521 47 G N 0.725 109.548 108.800 0.039 0.000 2.141 47 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.242 47 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.242 47 G C -0.277 174.680 174.900 0.095 0.000 0.982 47 G CA -0.264 44.865 45.100 0.048 0.000 0.662 47 G HN 0.187 nan 8.290 nan 0.000 0.527 48 Y N 0.638 120.916 120.300 -0.036 0.000 2.357 48 Y HA 0.462 5.011 4.550 -0.001 0.000 0.340 48 Y C 1.016 176.922 175.900 0.010 0.000 1.260 48 Y CA -0.358 57.751 58.100 0.015 0.000 1.425 48 Y CB 0.651 39.133 38.460 0.037 0.000 1.326 48 Y HN 0.243 nan 8.280 nan 0.000 0.580 49 E N 1.591 121.891 120.200 0.167 0.000 2.167 49 E HA 0.444 4.793 4.350 -0.001 0.000 0.284 49 E C -1.644 175.064 176.600 0.181 0.000 1.016 49 E CA -0.396 56.073 56.400 0.115 0.000 0.817 49 E CB 0.679 30.461 29.700 0.138 0.000 1.080 49 E HN 0.383 nan 8.360 nan 0.000 0.397 50 V N 5.874 125.813 119.914 0.042 0.000 2.417 50 V HA 0.293 4.412 4.120 -0.001 0.000 0.291 50 V C -0.335 175.700 176.094 -0.098 0.000 1.024 50 V CA -0.717 61.620 62.300 0.061 0.000 0.861 50 V CB 1.449 33.287 31.823 0.026 0.000 0.985 50 V HN 0.693 nan 8.190 nan 0.000 0.436 51 H N 2.489 121.636 119.070 0.128 0.000 2.524 51 H HA 0.707 5.262 4.556 -0.001 0.000 0.353 51 H C 0.070 175.482 175.328 0.139 0.000 1.136 51 H CA -0.322 55.825 56.048 0.165 0.000 1.193 51 H CB 2.634 32.509 29.762 0.189 0.000 1.558 51 H HN 0.827 nan 8.280 nan 0.000 0.515 52 G N 1.615 110.569 108.800 0.257 0.000 2.571 52 G HA2 0.488 4.447 3.960 -0.001 0.000 0.304 52 G HA3 0.488 4.447 3.960 -0.001 0.000 0.304 52 G C -1.079 173.929 174.900 0.179 0.000 1.314 52 G CA -0.553 44.643 45.100 0.161 0.000 0.975 52 G HN 0.323 nan 8.290 nan 0.000 0.485 53 I N 1.140 121.785 120.570 0.125 0.000 2.315 53 I HA 0.390 4.560 4.170 -0.001 0.000 0.291 53 I C 0.063 176.233 176.117 0.089 0.000 1.006 53 I CA -0.647 60.723 61.300 0.116 0.000 1.265 53 I CB 1.648 39.706 38.000 0.096 0.000 1.387 53 I HN 0.119 nan 8.210 nan 0.000 0.475 54 V N 6.592 126.551 119.914 0.076 0.000 2.555 54 V HA 0.500 4.620 4.120 -0.001 0.000 0.302 54 V C 0.388 176.590 176.094 0.179 0.000 1.038 54 V CA -1.051 61.294 62.300 0.074 0.000 0.887 54 V CB 1.890 33.697 31.823 -0.026 0.000 0.991 54 V HN 0.566 nan 8.190 nan 0.000 0.434 55 R N 2.671 123.272 120.500 0.168 0.000 2.490 55 R HA 0.295 4.634 4.340 -0.001 0.000 0.280 55 R C 0.337 176.783 176.300 0.242 0.000 1.077 55 R CA -0.632 55.581 56.100 0.189 0.000 1.065 55 R CB 0.667 31.047 30.300 0.133 0.000 1.003 55 R HN 0.557 nan 8.270 nan 0.000 0.470 56 R N 1.764 122.371 120.500 0.178 0.000 2.570 56 R HA 0.029 4.368 4.340 -0.001 0.000 0.277 56 R C -0.699 175.621 176.300 0.032 0.000 1.039 56 R CA 0.670 56.768 56.100 -0.002 0.000 1.065 56 R CB 0.850 31.043 30.300 -0.178 0.000 0.964 56 R HN 0.603 nan 8.270 nan 0.000 0.428 57 S N 0.944 116.665 115.700 0.036 0.000 2.569 57 S HA 0.164 4.633 4.470 -0.001 0.000 0.280 57 S C 0.810 175.424 174.600 0.024 0.000 1.111 57 S CA -0.159 58.061 58.200 0.034 0.000 0.887 57 S CB 1.539 64.769 63.200 0.050 0.000 1.095 57 S HN 0.644 nan 8.310 nan 0.000 0.476 58 S N 2.089 117.801 115.700 0.020 0.000 2.515 58 S HA 0.185 4.654 4.470 -0.001 0.000 0.231 58 S C 0.604 175.236 174.600 0.053 0.000 0.987 58 S CA 0.250 58.465 58.200 0.024 0.000 0.936 58 S CB -0.237 62.972 63.200 0.015 0.000 0.766 58 S HN 0.494 nan 8.310 nan 0.000 0.528 59 S N 0.442 116.184 115.700 0.071 0.000 2.677 59 S HA 0.595 5.065 4.470 -0.001 0.000 0.304 59 S C -0.823 173.874 174.600 0.162 0.000 1.108 59 S CA -0.842 57.428 58.200 0.117 0.000 0.944 59 S CB 0.817 64.079 63.200 0.105 0.000 1.127 59 S HN 0.407 nan 8.310 nan 0.000 0.511 60 F N 3.739 123.720 119.950 0.052 0.000 2.608 60 F HA 0.200 4.727 4.527 -0.001 0.000 0.380 60 F C 0.932 176.771 175.800 0.065 0.000 1.083 60 F CA 0.091 58.131 58.000 0.067 0.000 1.266 60 F CB 0.379 39.413 39.000 0.055 0.000 1.076 60 F HN 0.643 nan 8.300 nan 0.000 0.574 61 N N 2.023 120.390 118.700 -0.556 0.000 2.301 61 N HA 0.016 4.755 4.740 -0.001 0.000 0.247 61 N C -0.175 175.041 175.510 -0.490 0.000 1.347 61 N CA 0.346 53.158 53.050 -0.396 0.000 0.844 61 N CB -0.527 37.888 38.487 -0.120 0.000 1.332 61 N HN 0.527 nan 8.380 nan 0.000 0.494 62 T N -4.385 109.619 114.554 -0.918 0.000 3.228 62 T HA 0.346 4.695 4.350 -0.001 0.000 0.278 62 T C 1.551 176.019 174.700 -0.387 0.000 1.014 62 T CA 0.099 61.913 62.100 -0.477 0.000 0.904 62 T CB 0.177 68.923 68.868 -0.203 0.000 1.110 62 T HN 0.083 nan 8.240 nan 0.000 0.541 63 G N 2.692 111.237 108.800 -0.425 0.000 2.503 63 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.221 63 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.221 63 G C 1.703 176.616 174.900 0.022 0.000 1.131 63 G CA 0.381 45.511 45.100 0.051 0.000 0.756 63 G HN 0.542 nan 8.290 nan 0.000 0.572 64 R N 0.122 120.596 120.500 -0.044 0.000 2.236 64 R HA 0.142 4.482 4.340 -0.001 0.000 0.208 64 R C 2.065 178.366 176.300 0.003 0.000 1.036 64 R CA 1.107 57.183 56.100 -0.039 0.000 1.001 64 R CB -0.141 30.110 30.300 -0.082 0.000 0.896 64 R HN 0.685 nan 8.270 nan 0.000 0.464 65 I N -2.210 118.318 120.570 -0.070 0.000 4.240 65 I HA 0.128 4.298 4.170 -0.001 0.000 0.331 65 I C 1.523 177.396 176.117 -0.406 0.000 1.381 65 I CA -0.151 61.033 61.300 -0.193 0.000 1.136 65 I CB 0.117 38.019 38.000 -0.164 0.000 1.137 65 I HN -0.013 nan 8.210 nan 0.000 0.411 66 E N 2.864 122.854 120.200 -0.350 0.000 2.130 66 E HA -0.318 4.031 4.350 -0.001 0.000 0.196 66 E C 1.779 177.917 176.600 -0.771 0.000 0.998 66 E CA 1.969 57.868 56.400 -0.835 0.000 0.806 66 E CB -0.840 28.750 29.700 -0.184 0.000 0.738 66 E HN 0.778 nan 8.360 nan 0.000 0.459 67 H N 0.071 118.911 119.070 -0.384 0.000 2.561 67 H HA 0.022 4.577 4.556 -0.001 0.000 0.278 67 H C 1.383 176.598 175.328 -0.189 0.000 1.014 67 H CA 0.414 56.322 56.048 -0.234 0.000 1.211 67 H CB -0.023 29.653 29.762 -0.144 0.000 1.365 67 H HN 0.193 nan 8.280 nan 0.000 0.594 68 L N 0.511 121.342 121.223 -0.653 0.000 2.567 68 L HA 0.137 4.476 4.340 -0.001 0.000 0.225 68 L C 0.674 177.489 176.870 -0.092 0.000 1.119 68 L CA -0.223 54.373 54.840 -0.407 0.000 0.871 68 L CB -1.012 40.791 42.059 -0.427 0.000 1.036 68 L HN 0.208 nan 8.230 nan 0.000 0.459 80 M N 1.427 120.967 119.600 -0.100 0.000 2.311 80 M HA 0.401 4.881 4.480 -0.001 0.000 0.325 80 M C -1.400 174.796 176.300 -0.173 0.000 1.061 80 M CA -0.332 54.894 55.300 -0.123 0.000 0.957 80 M CB 1.383 33.952 32.600 -0.053 0.000 1.646 80 M HN -0.242 nan 8.290 nan 0.000 0.434 81 K N 5.517 125.756 120.400 -0.267 0.000 2.397 81 K HA 0.623 4.943 4.320 -0.001 0.000 0.253 81 K C -1.371 175.111 176.600 -0.196 0.000 0.932 81 K CA -0.573 55.550 56.287 -0.273 0.000 0.795 81 K CB 2.482 34.792 32.500 -0.317 0.000 1.159 81 K HN 0.720 nan 8.250 nan 0.000 0.424 82 L N 3.092 124.150 121.223 -0.276 0.000 2.325 82 L HA 0.493 4.832 4.340 -0.001 0.000 0.278 82 L C -0.035 176.576 176.870 -0.431 0.000 1.023 82 L CA -0.832 53.875 54.840 -0.222 0.000 0.811 82 L CB 1.224 43.155 42.059 -0.213 0.000 1.249 82 L HN 0.441 nan 8.230 nan 0.000 0.431 83 H N 1.810 120.809 119.070 -0.118 0.000 2.667 83 H HA 0.267 4.823 4.556 -0.001 0.000 0.353 83 H C -1.225 174.037 175.328 -0.110 0.000 1.072 83 H CA -0.599 55.391 56.048 -0.098 0.000 1.214 83 H CB 1.697 31.470 29.762 0.018 0.000 1.600 83 H HN 0.448 nan 8.280 nan 0.000 0.527 84 Y N 1.341 121.720 120.300 0.132 0.000 2.526 84 Y HA 0.335 4.885 4.550 -0.001 0.000 0.330 84 Y C 1.230 177.189 175.900 0.099 0.000 1.156 84 Y CA 0.605 58.760 58.100 0.091 0.000 1.419 84 Y CB 0.984 39.481 38.460 0.062 0.000 1.250 84 Y HN 0.795 nan 8.280 nan 0.000 0.540 85 G N 2.215 111.171 108.800 0.260 0.000 2.550 85 G HA2 0.362 4.321 3.960 -0.001 0.000 0.293 85 G HA3 0.362 4.321 3.960 -0.001 0.000 0.293 85 G C -2.337 172.648 174.900 0.141 0.000 1.402 85 G CA -0.670 44.531 45.100 0.169 0.000 0.784 85 G HN 0.440 nan 8.290 nan 0.000 0.482 86 D N -0.609 119.855 120.400 0.107 0.000 2.927 86 D HA 0.224 4.864 4.640 -0.001 0.000 0.219 86 D C 0.771 177.114 176.300 0.072 0.000 1.248 86 D CA -0.576 53.483 54.000 0.098 0.000 0.861 86 D CB 2.566 43.426 40.800 0.100 0.000 1.677 86 D HN 0.205 nan 8.370 nan 0.000 0.511 87 L N 1.821 123.080 121.223 0.060 0.000 2.551 87 L HA -0.052 4.287 4.340 -0.001 0.000 0.228 87 L C 2.064 178.945 176.870 0.017 0.000 1.153 87 L CA 1.168 56.031 54.840 0.038 0.000 0.851 87 L CB -0.201 41.874 42.059 0.027 0.000 0.959 87 L HN 0.476 nan 8.230 nan 0.000 0.451 88 T N -5.480 109.087 114.554 0.021 0.000 3.122 88 T HA 0.024 4.374 4.350 -0.001 0.000 0.250 88 T C 0.460 175.178 174.700 0.030 0.000 1.067 88 T CA -0.331 61.776 62.100 0.011 0.000 0.966 88 T CB -0.020 68.856 68.868 0.014 0.000 1.002 88 T HN 0.021 nan 8.240 nan 0.000 0.542 89 D N 0.923 121.347 120.400 0.039 0.000 2.454 89 D HA 0.364 5.003 4.640 -0.001 0.000 0.247 89 D C 0.745 177.067 176.300 0.037 0.000 1.129 89 D CA -0.294 53.730 54.000 0.040 0.000 0.877 89 D CB 1.834 42.664 40.800 0.049 0.000 1.082 89 D HN 0.096 nan 8.370 nan 0.000 0.537 90 S N 1.790 117.509 115.700 0.031 0.000 2.353 90 S HA -0.167 4.303 4.470 -0.001 0.000 0.222 90 S C 1.888 176.505 174.600 0.029 0.000 1.035 90 S CA 1.418 59.636 58.200 0.029 0.000 1.025 90 S CB -0.156 63.060 63.200 0.028 0.000 0.902 90 S HN 0.569 nan 8.310 nan 0.000 0.440 91 T N 2.010 116.581 114.554 0.028 0.000 2.759 91 T HA -0.170 4.179 4.350 -0.001 0.000 0.269 91 T C 2.312 177.030 174.700 0.029 0.000 1.042 91 T CA 1.457 63.572 62.100 0.026 0.000 1.140 91 T CB -0.872 68.011 68.868 0.026 0.000 0.864 91 T HN 0.767 nan 8.240 nan 0.000 0.455 92 C N 1.734 121.056 119.300 0.038 0.000 2.413 92 C HA 0.015 4.475 4.460 -0.001 0.000 0.277 92 C C 2.507 177.519 174.990 0.036 0.000 1.265 92 C CA 0.308 59.354 59.018 0.046 0.000 1.752 92 C CB -1.715 26.062 27.740 0.062 0.000 1.998 92 C HN 0.533 nan 8.230 nan 0.000 0.489 93 L N 0.904 122.146 121.223 0.032 0.000 2.093 93 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 93 L C 3.022 179.896 176.870 0.007 0.000 1.085 93 L CA 1.182 56.035 54.840 0.022 0.000 0.755 93 L CB -0.761 41.317 42.059 0.032 0.000 0.904 93 L HN 0.259 nan 8.230 nan 0.000 0.435 94 V N 0.212 120.133 119.914 0.011 0.000 2.287 94 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 94 V C 2.547 178.637 176.094 -0.006 0.000 1.053 94 V CA 1.821 64.123 62.300 0.004 0.000 1.027 94 V CB -0.516 31.313 31.823 0.010 0.000 0.646 94 V HN 0.425 nan 8.190 nan 0.000 0.447 95 K N -0.316 120.085 120.400 0.001 0.000 2.032 95 K HA -0.140 4.180 4.320 -0.001 0.000 0.209 95 K C 2.044 178.626 176.600 -0.031 0.000 1.048 95 K CA 1.728 58.014 56.287 -0.001 0.000 0.927 95 K CB -0.337 32.176 32.500 0.022 0.000 0.712 95 K HN 0.399 nan 8.250 nan 0.000 0.441 96 I N 0.956 121.495 120.570 -0.052 0.000 2.252 96 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 96 I C 2.245 178.251 176.117 -0.186 0.000 1.102 96 I CA 1.214 62.417 61.300 -0.161 0.000 1.385 96 I CB -0.211 37.688 38.000 -0.169 0.000 1.064 96 I HN 0.110 nan 8.210 nan 0.000 0.414 97 I N 0.713 121.219 120.570 -0.106 0.000 2.394 97 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 97 I C 2.125 178.195 176.117 -0.079 0.000 1.136 97 I CA 1.047 62.295 61.300 -0.088 0.000 1.425 97 I CB -0.470 37.511 38.000 -0.032 0.000 1.079 97 I HN 0.315 nan 8.210 nan 0.000 0.425 98 N N 0.572 119.237 118.700 -0.058 0.000 2.216 98 N HA -0.196 4.543 4.740 -0.001 0.000 0.183 98 N C 1.783 177.261 175.510 -0.053 0.000 1.017 98 N CA 1.112 54.138 53.050 -0.041 0.000 0.861 98 N CB -0.082 38.392 38.487 -0.021 0.000 0.986 98 N HN 0.467 nan 8.380 nan 0.000 0.428 99 E N 0.546 120.704 120.200 -0.070 0.000 2.072 99 E HA -0.063 4.286 4.350 -0.001 0.000 0.190 99 E C 1.650 178.178 176.600 -0.120 0.000 0.982 99 E CA 0.688 57.052 56.400 -0.060 0.000 0.803 99 E CB 0.305 29.989 29.700 -0.025 0.000 0.755 99 E HN -0.004 nan 8.360 nan 0.000 0.453 100 V N 1.132 120.906 119.914 -0.232 0.000 2.535 100 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 100 V C 0.596 176.559 176.094 -0.219 0.000 1.045 100 V CA 1.092 63.160 62.300 -0.386 0.000 1.058 100 V CB -0.465 31.015 31.823 -0.571 0.000 0.689 100 V HN 0.307 nan 8.190 nan 0.000 0.461 101 K N -0.059 120.264 120.400 -0.128 0.000 3.451 101 K HA -0.157 4.162 4.320 -0.001 0.000 0.273 101 K C -2.289 174.285 176.600 -0.043 0.000 0.944 101 K CA 0.307 56.557 56.287 -0.062 0.000 0.734 101 K CB -1.600 30.876 32.500 -0.040 0.000 1.437 101 K HN 0.463 nan 8.250 nan 0.000 0.454 102 P HA -0.038 nan 4.420 nan 0.000 0.272 102 P C 0.817 178.141 177.300 0.040 0.000 1.223 102 P CA 0.220 63.332 63.100 0.020 0.000 0.784 102 P CB 0.941 32.664 31.700 0.039 0.000 0.923 103 T N -1.948 112.644 114.554 0.064 0.000 3.037 103 T HA 0.168 4.518 4.350 -0.001 0.000 0.252 103 T C 0.348 175.083 174.700 0.058 0.000 1.073 103 T CA 0.271 62.398 62.100 0.045 0.000 1.091 103 T CB -0.009 68.874 68.868 0.025 0.000 0.935 103 T HN 0.465 nan 8.240 nan 0.000 0.488 104 E N 0.257 120.525 120.200 0.112 0.000 2.275 104 E HA 0.626 4.975 4.350 -0.001 0.000 0.270 104 E C -1.524 175.096 176.600 0.032 0.000 0.882 104 E CA -0.636 55.796 56.400 0.053 0.000 0.758 104 E CB 2.642 32.454 29.700 0.186 0.000 1.195 104 E HN 0.275 nan 8.360 nan 0.000 0.419 105 I N 2.838 123.319 120.570 -0.150 0.000 2.436 105 I HA 0.327 4.497 4.170 -0.001 0.000 0.289 105 I C -1.276 174.588 176.117 -0.421 0.000 1.010 105 I CA -0.788 60.414 61.300 -0.163 0.000 1.098 105 I CB 1.136 39.039 38.000 -0.161 0.000 1.266 105 I HN 0.485 nan 8.210 nan 0.000 0.434 106 Y N 4.269 124.488 120.300 -0.136 0.000 2.345 106 Y HA 0.265 4.814 4.550 -0.001 0.000 0.331 106 Y C 0.278 176.111 175.900 -0.112 0.000 0.959 106 Y CA -0.744 57.318 58.100 -0.064 0.000 1.204 106 Y CB 1.107 39.562 38.460 -0.009 0.000 1.135 106 Y HN 0.453 nan 8.280 nan 0.000 0.477 107 N N 4.488 123.124 118.700 -0.107 0.000 2.663 107 N HA 0.186 4.926 4.740 -0.001 0.000 0.250 107 N C -0.121 175.447 175.510 0.097 0.000 1.129 107 N CA 0.153 53.161 53.050 -0.069 0.000 0.995 107 N CB 0.186 38.590 38.487 -0.139 0.000 1.324 107 N HN 0.754 nan 8.380 nan 0.000 0.512 108 L N 0.548 121.854 121.223 0.139 0.000 2.616 108 L HA 0.381 4.721 4.340 -0.001 0.000 0.229 108 L C 1.346 178.293 176.870 0.128 0.000 1.110 108 L CA -0.398 54.540 54.840 0.163 0.000 0.884 108 L CB -0.158 41.992 42.059 0.152 0.000 1.115 108 L HN 0.416 nan 8.230 nan 0.000 0.481 109 G N 0.966 109.829 108.800 0.105 0.000 2.340 109 G HA2 0.464 4.424 3.960 -0.001 0.000 0.245 109 G HA3 0.464 4.424 3.960 -0.001 0.000 0.245 109 G C -0.297 174.667 174.900 0.107 0.000 1.294 109 G CA 0.607 45.767 45.100 0.102 0.000 0.896 109 G HN 0.318 nan 8.290 nan 0.000 0.522 110 A N 2.001 124.898 122.820 0.128 0.000 2.569 110 A HA 0.550 4.869 4.320 -0.001 0.000 0.292 110 A C -0.726 176.972 177.584 0.189 0.000 1.032 110 A CA -0.655 51.471 52.037 0.147 0.000 0.669 110 A CB 1.258 20.378 19.000 0.201 0.000 1.290 110 A HN 0.640 nan 8.150 nan 0.000 0.422 111 Q N 1.291 121.215 119.800 0.208 0.000 2.344 111 Q HA 0.326 4.666 4.340 -0.001 0.000 0.253 111 Q C 0.811 176.971 176.000 0.268 0.000 1.050 111 Q CA 0.688 56.649 55.803 0.264 0.000 0.912 111 Q CB 0.748 29.677 28.738 0.318 0.000 1.258 111 Q HN 1.125 nan 8.270 nan 0.000 0.443 112 S N 2.635 118.470 115.700 0.225 0.000 2.556 112 S HA 0.077 4.547 4.470 -0.001 0.000 0.216 112 S C 0.456 174.997 174.600 -0.097 0.000 0.970 112 S CA -0.210 58.057 58.200 0.111 0.000 0.912 112 S CB 0.082 63.389 63.200 0.178 0.000 0.790 112 S HN 0.635 nan 8.310 nan 0.000 0.504 113 H N 1.492 120.523 119.070 -0.065 0.000 2.604 113 H HA 0.400 4.956 4.556 -0.001 0.000 0.306 113 H C 1.012 176.213 175.328 -0.211 0.000 1.075 113 H CA -0.106 55.849 56.048 -0.154 0.000 1.357 113 H CB 1.747 31.360 29.762 -0.248 0.000 1.426 113 H HN 0.025 nan 8.280 nan 0.000 0.470 114 V N 5.459 125.129 119.914 -0.407 0.000 2.295 114 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 114 V C 2.531 178.716 176.094 0.151 0.000 1.049 114 V CA 2.151 64.356 62.300 -0.159 0.000 1.024 114 V CB -0.310 31.447 31.823 -0.109 0.000 0.648 114 V HN 0.569 nan 8.190 nan 0.000 0.447 115 K N 0.671 121.239 120.400 0.280 0.000 2.057 115 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 115 K C 1.811 178.663 176.600 0.420 0.000 1.049 115 K CA 1.737 58.298 56.287 0.458 0.000 0.931 115 K CB -0.553 32.187 32.500 0.400 0.000 0.714 115 K HN 0.441 nan 8.250 nan 0.000 0.440 116 I N 1.073 121.855 120.570 0.353 0.000 2.454 116 I HA -0.251 3.918 4.170 -0.001 0.000 0.254 116 I C 2.020 178.237 176.117 0.168 0.000 1.156 116 I CA 1.308 62.710 61.300 0.170 0.000 1.433 116 I CB -0.349 37.674 38.000 0.039 0.000 1.082 116 I HN 0.335 nan 8.210 nan 0.000 0.432 117 S N 0.702 116.485 115.700 0.138 0.000 2.442 117 S HA -0.151 4.319 4.470 -0.001 0.000 0.236 117 S C 1.855 176.433 174.600 -0.036 0.000 1.007 117 S CA 0.849 59.074 58.200 0.042 0.000 0.965 117 S CB -0.783 62.414 63.200 -0.005 0.000 0.773 117 S HN 0.389 nan 8.310 nan 0.000 0.504 118 F N 1.860 121.876 119.950 0.110 0.000 2.234 118 F HA 0.075 4.602 4.527 -0.001 0.000 0.299 118 F C 2.096 177.939 175.800 0.072 0.000 1.087 118 F CA 1.260 59.313 58.000 0.088 0.000 1.340 118 F CB -0.273 38.776 39.000 0.081 0.000 1.031 118 F HN 0.247 nan 8.300 nan 0.000 0.500 119 D N -0.922 119.614 120.400 0.227 0.000 2.367 119 D HA 0.153 4.793 4.640 -0.001 0.000 0.207 119 D C 0.624 176.985 176.300 0.102 0.000 1.034 119 D CA 0.505 54.589 54.000 0.141 0.000 0.861 119 D CB 0.307 41.172 40.800 0.108 0.000 0.943 119 D HN 0.134 nan 8.370 nan 0.000 0.515 120 L N 0.347 121.635 121.223 0.110 0.000 2.999 120 L HA 0.428 4.767 4.340 -0.001 0.000 0.263 120 L C 1.236 178.186 176.870 0.133 0.000 1.320 120 L CA -0.322 54.590 54.840 0.121 0.000 0.913 120 L CB 0.824 42.964 42.059 0.136 0.000 1.296 120 L HN -0.048 nan 8.230 nan 0.000 0.546 121 A N -0.243 122.630 122.820 0.089 0.000 1.930 121 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 121 A C 2.094 179.707 177.584 0.049 0.000 1.175 121 A CA 1.665 53.731 52.037 0.048 0.000 0.627 121 A CB -0.021 18.997 19.000 0.030 0.000 0.815 121 A HN 0.613 nan 8.150 nan 0.000 0.443 122 E N -1.706 118.536 120.200 0.069 0.000 2.046 122 E HA -0.192 4.158 4.350 -0.001 0.000 0.190 122 E C 1.861 178.502 176.600 0.068 0.000 0.982 122 E CA 1.103 57.534 56.400 0.051 0.000 0.800 122 E CB -0.317 29.417 29.700 0.056 0.000 0.756 122 E HN 0.683 nan 8.360 nan 0.000 0.449 123 Y N 1.371 121.679 120.300 0.012 0.000 2.165 123 Y HA -0.217 4.333 4.550 -0.001 0.000 0.286 123 Y C 2.277 178.194 175.900 0.028 0.000 1.155 123 Y CA 2.225 60.337 58.100 0.020 0.000 1.164 123 Y CB -0.506 37.971 38.460 0.028 0.000 0.978 123 Y HN 0.007 nan 8.280 nan 0.000 0.513 124 T N 0.575 115.173 114.554 0.073 0.000 2.788 124 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 124 T C 2.094 176.747 174.700 -0.079 0.000 1.044 124 T CA 1.387 63.490 62.100 0.005 0.000 1.139 124 T CB -0.701 68.236 68.868 0.115 0.000 0.867 124 T HN 0.501 nan 8.240 nan 0.000 0.454 125 A N 1.391 124.168 122.820 -0.071 0.000 1.930 125 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 125 A C 2.119 179.615 177.584 -0.146 0.000 1.175 125 A CA 1.812 53.786 52.037 -0.106 0.000 0.627 125 A CB -0.676 18.262 19.000 -0.102 0.000 0.815 125 A HN 0.431 nan 8.150 nan 0.000 0.443 126 D N -0.730 119.574 120.400 -0.160 0.000 2.144 126 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 126 D C 1.812 177.995 176.300 -0.195 0.000 0.978 126 D CA 1.437 55.337 54.000 -0.167 0.000 0.833 126 D CB 0.070 40.785 40.800 -0.142 0.000 0.961 126 D HN 0.170 nan 8.370 nan 0.000 0.470 127 V N 0.365 120.096 119.914 -0.305 0.000 2.379 127 V HA -0.085 4.035 4.120 -0.001 0.000 0.243 127 V C 1.594 177.624 176.094 -0.106 0.000 1.035 127 V CA 1.619 63.766 62.300 -0.255 0.000 1.035 127 V CB -0.323 31.250 31.823 -0.418 0.000 0.673 127 V HN 0.087 nan 8.190 nan 0.000 0.457 128 D N 0.357 120.705 120.400 -0.087 0.000 2.234 128 D HA 0.013 4.653 4.640 -0.001 0.000 0.205 128 D C 1.922 178.222 176.300 0.001 0.000 0.962 128 D CA 1.360 55.345 54.000 -0.025 0.000 0.855 128 D CB -0.148 40.635 40.800 -0.030 0.000 0.951 128 D HN 0.446 nan 8.370 nan 0.000 0.500 129 G N 0.170 108.962 108.800 -0.012 0.000 2.688 129 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.214 129 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.214 129 G C 1.609 176.575 174.900 0.111 0.000 1.211 129 G CA 0.164 45.321 45.100 0.094 0.000 0.853 129 G HN 0.154 nan 8.290 nan 0.000 0.591 130 V N 2.008 121.870 119.914 -0.086 0.000 2.515 130 V HA -0.016 4.103 4.120 -0.001 0.000 0.250 130 V C 3.076 179.190 176.094 0.032 0.000 1.058 130 V CA 1.848 64.120 62.300 -0.047 0.000 1.064 130 V CB -0.926 30.824 31.823 -0.122 0.000 0.675 130 V HN 0.427 nan 8.190 nan 0.000 0.461 131 G N -0.216 108.588 108.800 0.005 0.000 2.432 131 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.219 131 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.219 131 G C 1.664 176.598 174.900 0.056 0.000 1.135 131 G CA 1.474 46.585 45.100 0.019 0.000 0.767 131 G HN 0.469 nan 8.290 nan 0.000 0.550 132 T N 1.106 115.710 114.554 0.082 0.000 2.708 132 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 132 T C 2.245 176.949 174.700 0.007 0.000 1.037 132 T CA 1.255 63.411 62.100 0.093 0.000 1.146 132 T CB -0.240 68.684 68.868 0.094 0.000 0.865 132 T HN 0.188 nan 8.240 nan 0.000 0.435 133 L N 1.357 122.615 121.223 0.058 0.000 2.083 133 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 133 L C 2.391 179.236 176.870 -0.041 0.000 1.083 133 L CA 1.686 56.522 54.840 -0.006 0.000 0.752 133 L CB -0.453 41.730 42.059 0.206 0.000 0.899 133 L HN 0.055 nan 8.230 nan 0.000 0.433 134 R N -0.874 119.636 120.500 0.017 0.000 2.105 134 R HA -0.158 4.181 4.340 -0.001 0.000 0.239 134 R C 2.200 178.500 176.300 0.001 0.000 1.135 134 R CA 1.656 57.767 56.100 0.018 0.000 0.967 134 R CB -0.605 29.712 30.300 0.028 0.000 0.861 134 R HN 0.355 nan 8.270 nan 0.000 0.442 135 L N 0.713 121.943 121.223 0.012 0.000 2.109 135 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 135 L C 1.973 178.828 176.870 -0.024 0.000 1.086 135 L CA 1.358 56.237 54.840 0.065 0.000 0.760 135 L CB -0.130 42.046 42.059 0.195 0.000 0.910 135 L HN 0.088 nan 8.230 nan 0.000 0.437 136 L N -0.904 120.137 121.223 -0.304 0.000 2.056 136 L HA -0.193 4.147 4.340 -0.001 0.000 0.207 136 L C 2.167 178.791 176.870 -0.410 0.000 1.078 136 L CA 1.208 55.603 54.840 -0.741 0.000 0.749 136 L CB -0.732 40.282 42.059 -1.743 0.000 0.901 136 L HN 0.225 nan 8.230 nan 0.000 0.433 137 D N 0.014 120.291 120.400 -0.204 0.000 2.178 137 D HA -0.141 4.498 4.640 -0.001 0.000 0.201 137 D C 2.196 178.511 176.300 0.026 0.000 0.980 137 D CA 1.400 55.437 54.000 0.061 0.000 0.842 137 D CB 0.079 40.941 40.800 0.103 0.000 0.948 137 D HN 0.317 nan 8.370 nan 0.000 0.472 138 A N 0.412 123.234 122.820 0.002 0.000 1.898 138 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 138 A C 2.537 180.131 177.584 0.017 0.000 1.181 138 A CA 0.995 53.041 52.037 0.015 0.000 0.620 138 A CB -0.694 18.319 19.000 0.021 0.000 0.819 138 A HN 0.132 nan 8.150 nan 0.000 0.442 139 V N 0.192 120.116 119.914 0.017 0.000 2.287 139 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 139 V C 2.574 178.684 176.094 0.027 0.000 1.053 139 V CA 2.553 64.873 62.300 0.033 0.000 1.027 139 V CB -0.610 31.238 31.823 0.041 0.000 0.646 139 V HN 0.696 nan 8.190 nan 0.000 0.447 140 K N -0.609 119.812 120.400 0.035 0.000 2.057 140 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 140 K C 2.190 178.781 176.600 -0.016 0.000 1.050 140 K CA 1.799 58.091 56.287 0.008 0.000 0.935 140 K CB -0.286 32.217 32.500 0.005 0.000 0.715 140 K HN 0.469 nan 8.250 nan 0.000 0.439 141 T N 0.103 114.657 114.554 -0.001 0.000 2.788 141 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 141 T C 1.603 176.300 174.700 -0.006 0.000 1.044 141 T CA 1.294 63.390 62.100 -0.007 0.000 1.139 141 T CB -0.254 68.616 68.868 0.004 0.000 0.867 141 T HN 0.347 nan 8.240 nan 0.000 0.454 142 C N 1.301 120.601 119.300 0.000 0.000 2.546 142 C HA 0.434 4.894 4.460 -0.001 0.000 0.275 142 C C 2.091 177.081 174.990 -0.000 0.000 1.393 142 C CA -0.377 58.640 59.018 -0.001 0.000 1.703 142 C CB -1.663 26.077 27.740 0.000 0.000 1.710 142 C HN 0.819 nan 8.230 nan 0.000 0.581 143 G N 0.915 109.713 108.800 -0.003 0.000 2.160 143 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.251 143 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.251 143 G C 0.389 175.294 174.900 0.008 0.000 1.008 143 G CA 0.283 45.381 45.100 -0.003 0.000 0.724 143 G HN 0.595 nan 8.290 nan 0.000 0.514 144 L N -0.487 120.747 121.223 0.018 0.000 2.700 144 L HA 0.372 4.712 4.340 -0.001 0.000 0.234 144 L C 2.370 179.272 176.870 0.053 0.000 1.156 144 L CA -0.334 54.526 54.840 0.033 0.000 0.946 144 L CB -0.015 42.066 42.059 0.038 0.000 1.216 144 L HN 0.256 nan 8.230 nan 0.000 0.493 145 I N 0.863 121.462 120.570 0.049 0.000 2.335 145 I HA -0.273 3.897 4.170 -0.001 0.000 0.251 145 I C 1.830 178.004 176.117 0.094 0.000 1.129 145 I CA 1.652 62.999 61.300 0.078 0.000 1.402 145 I CB -0.035 37.998 38.000 0.055 0.000 1.069 145 I HN 0.338 nan 8.210 nan 0.000 0.424 146 N N -1.004 117.739 118.700 0.070 0.000 2.280 146 N HA 0.072 4.811 4.740 -0.001 0.000 0.192 146 N C 1.561 177.111 175.510 0.067 0.000 1.109 146 N CA 0.917 54.012 53.050 0.075 0.000 0.855 146 N CB 0.371 38.892 38.487 0.056 0.000 0.974 146 N HN 0.485 nan 8.380 nan 0.000 0.482 147 S N -1.533 114.201 115.700 0.057 0.000 2.599 147 S HA 0.145 4.615 4.470 -0.001 0.000 0.236 147 S C 0.768 175.389 174.600 0.034 0.000 1.077 147 S CA -0.214 58.008 58.200 0.037 0.000 0.906 147 S CB 0.131 63.345 63.200 0.023 0.000 0.804 147 S HN -0.080 nan 8.310 nan 0.000 0.497 148 V N 3.124 123.074 119.914 0.060 0.000 2.881 148 V HA 0.417 4.537 4.120 -0.001 0.000 0.303 148 V C -0.825 175.324 176.094 0.092 0.000 1.070 148 V CA -0.296 62.045 62.300 0.067 0.000 1.074 148 V CB 1.102 32.983 31.823 0.096 0.000 1.012 148 V HN 0.328 nan 8.190 nan 0.000 0.482 149 K N 5.613 126.035 120.400 0.036 0.000 2.182 149 K HA 0.407 4.727 4.320 -0.001 0.000 0.262 149 K C -1.028 175.659 176.600 0.144 0.000 0.957 149 K CA -0.146 56.182 56.287 0.068 0.000 0.842 149 K CB 1.856 34.214 32.500 -0.237 0.000 1.099 149 K HN 0.618 nan 8.250 nan 0.000 0.438 150 F N 2.713 122.716 119.950 0.088 0.000 2.467 150 F HA 0.291 4.817 4.527 -0.000 0.000 0.336 150 F C -1.006 174.791 175.800 -0.004 0.000 1.123 150 F CA -1.100 56.896 58.000 -0.006 0.000 0.964 150 F CB 1.066 40.060 39.000 -0.011 0.000 1.136 150 F HN 0.489 nan 8.300 nan 0.000 0.447 151 Y N 5.842 125.915 120.300 -0.379 0.000 2.331 151 Y HA 0.462 5.012 4.550 -0.001 0.000 0.338 151 Y C -0.889 174.900 175.900 -0.184 0.000 0.992 151 Y CA -0.687 57.300 58.100 -0.188 0.000 1.121 151 Y CB 1.059 39.362 38.460 -0.261 0.000 1.184 151 Y HN 0.661 nan 8.280 nan 0.000 0.469 152 Q N 4.942 124.366 119.800 -0.628 0.000 2.293 152 Q HA 0.642 4.981 4.340 -0.001 0.000 0.261 152 Q C -1.243 174.376 176.000 -0.634 0.000 0.960 152 Q CA -0.605 54.981 55.803 -0.362 0.000 0.882 152 Q CB 1.700 30.375 28.738 -0.104 0.000 1.275 152 Q HN 0.802 nan 8.270 nan 0.000 0.445 153 A N 3.912 126.628 122.820 -0.172 0.000 2.990 153 A HA 0.420 4.740 4.320 -0.001 0.000 0.282 153 A C -0.076 177.506 177.584 -0.004 0.000 1.688 153 A CA -0.248 51.815 52.037 0.043 0.000 1.391 153 A CB -0.502 18.640 19.000 0.236 0.000 1.112 153 A HN 0.736 nan 8.150 nan 0.000 0.588 154 S N 0.117 115.772 115.700 -0.074 0.000 2.640 154 S HA 0.651 5.121 4.470 -0.001 0.000 0.262 154 S C 0.558 175.132 174.600 -0.043 0.000 1.232 154 S CA 0.209 58.362 58.200 -0.079 0.000 0.988 154 S CB 0.935 64.110 63.200 -0.042 0.000 1.034 154 S HN 0.933 nan 8.310 nan 0.000 0.569 155 T N -0.992 113.464 114.554 -0.164 0.000 2.957 155 T HA 0.271 4.621 4.350 -0.001 0.000 0.336 155 T C 0.841 175.340 174.700 -0.336 0.000 1.462 155 T CA -0.091 61.926 62.100 -0.138 0.000 1.073 155 T CB 0.676 69.529 68.868 -0.025 0.000 1.319 155 T HN 0.499 nan 8.240 nan 0.000 0.485 156 S N 1.923 117.355 115.700 -0.447 0.000 2.440 156 S HA -0.100 4.369 4.470 -0.001 0.000 0.238 156 S C 1.517 175.927 174.600 -0.316 0.000 1.010 156 S CA 1.289 59.064 58.200 -0.709 0.000 0.972 156 S CB -0.447 61.769 63.200 -1.640 0.000 0.774 156 S HN 0.729 nan 8.310 nan 0.000 0.501 157 E N 1.627 121.702 120.200 -0.208 0.000 2.267 157 E HA 0.013 4.362 4.350 -0.001 0.000 0.197 157 E C 1.665 178.153 176.600 -0.186 0.000 0.998 157 E CA 0.614 56.970 56.400 -0.073 0.000 0.830 157 E CB -0.695 29.086 29.700 0.135 0.000 0.751 157 E HN 0.640 nan 8.360 nan 0.000 0.491 158 L N -0.815 120.127 121.223 -0.468 0.000 2.127 158 L HA -0.214 4.126 4.340 -0.001 0.000 0.211 158 L C 1.757 178.361 176.870 -0.444 0.000 1.089 158 L CA 1.239 55.626 54.840 -0.754 0.000 0.757 158 L CB -0.415 40.676 42.059 -1.613 0.000 0.899 158 L HN 0.280 nan 8.230 nan 0.000 0.434 159 Y N -0.448 119.832 120.300 -0.033 0.000 2.457 159 Y HA 0.005 4.555 4.550 -0.001 0.000 0.292 159 Y C 2.222 178.212 175.900 0.150 0.000 1.125 159 Y CA 0.349 58.544 58.100 0.157 0.000 1.254 159 Y CB -0.661 37.897 38.460 0.163 0.000 1.012 159 Y HN 0.266 nan 8.280 nan 0.000 0.555 160 G N 1.062 109.988 108.800 0.211 0.000 2.699 160 G HA2 -0.471 3.488 3.960 -0.001 0.000 0.351 160 G HA3 -0.471 3.488 3.960 -0.001 0.000 0.351 160 G C 0.583 175.573 174.900 0.150 0.000 1.191 160 G CA 0.886 46.097 45.100 0.185 0.000 0.953 160 G HN 0.370 nan 8.290 nan 0.000 0.557 161 K N 1.705 122.141 120.400 0.060 0.000 2.127 161 K HA 0.423 4.743 4.320 -0.001 0.000 0.261 161 K C 1.001 177.545 176.600 -0.093 0.000 1.129 161 K CA -0.011 56.188 56.287 -0.146 0.000 0.993 161 K CB -0.144 32.021 32.500 -0.558 0.000 1.410 161 K HN 0.891 nan 8.250 nan 0.000 0.380 162 V N 1.970 121.923 119.914 0.065 0.000 2.726 162 V HA -0.095 4.025 4.120 -0.001 0.000 0.304 162 V C 0.761 176.887 176.094 0.054 0.000 1.115 162 V CA 0.154 62.529 62.300 0.125 0.000 1.264 162 V CB 0.810 32.736 31.823 0.172 0.000 0.867 162 V HN 0.727 nan 8.190 nan 0.000 0.498 163 Q N 2.615 122.481 119.800 0.109 0.000 2.356 163 Q HA 0.326 4.666 4.340 -0.001 0.000 0.205 163 Q C 0.228 176.250 176.000 0.038 0.000 0.901 163 Q CA 0.582 56.431 55.803 0.077 0.000 0.938 163 Q CB 0.654 29.477 28.738 0.142 0.000 1.081 163 Q HN 1.001 nan 8.270 nan 0.000 0.517 164 E N -0.173 120.041 120.200 0.023 0.000 2.412 164 E HA 0.531 4.881 4.350 -0.001 0.000 0.279 164 E C -1.022 175.571 176.600 -0.011 0.000 0.984 164 E CA -0.484 55.911 56.400 -0.009 0.000 0.788 164 E CB 2.289 31.980 29.700 -0.016 0.000 1.277 164 E HN -0.077 nan 8.360 nan 0.000 0.455 165 I N 2.639 123.198 120.570 -0.019 0.000 2.512 165 I HA 0.324 4.494 4.170 -0.001 0.000 0.287 165 I C -2.116 174.001 176.117 0.000 0.000 1.069 165 I CA -1.771 59.538 61.300 0.015 0.000 1.056 165 I CB 1.724 39.697 38.000 -0.045 0.000 1.229 165 I HN 0.380 nan 8.210 nan 0.000 0.429 166 P HA 0.293 nan 4.420 nan 0.000 0.279 166 P C -1.255 176.005 177.300 -0.067 0.000 1.282 166 P CA -0.530 62.569 63.100 -0.003 0.000 0.788 166 P CB 0.737 32.404 31.700 -0.055 0.000 1.139 167 Q N -0.160 119.556 119.800 -0.140 0.000 2.257 167 Q HA 0.359 4.698 4.340 -0.001 0.000 0.255 167 Q C 0.280 176.149 176.000 -0.218 0.000 0.920 167 Q CA -0.203 55.409 55.803 -0.318 0.000 0.927 167 Q CB 1.463 29.754 28.738 -0.746 0.000 1.229 167 Q HN 0.341 nan 8.270 nan 0.000 0.433 168 K N 0.477 120.803 120.400 -0.123 0.000 2.279 168 K HA 0.479 4.798 4.320 -0.001 0.000 0.238 168 K C -0.128 176.557 176.600 0.142 0.000 1.084 168 K CA -0.851 55.449 56.287 0.022 0.000 0.885 168 K CB 0.639 33.143 32.500 0.007 0.000 1.319 168 K HN 0.103 nan 8.250 nan 0.000 0.494 169 E N 0.666 120.946 120.200 0.132 0.000 2.160 169 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 169 E C 1.436 178.075 176.600 0.065 0.000 0.991 169 E CA 2.308 58.790 56.400 0.138 0.000 0.810 169 E CB -0.465 29.253 29.700 0.031 0.000 0.742 169 E HN 0.799 nan 8.360 nan 0.000 0.466 170 T N -2.702 111.868 114.554 0.026 0.000 3.144 170 T HA 0.117 4.467 4.350 -0.001 0.000 0.249 170 T C 0.649 175.339 174.700 -0.016 0.000 1.089 170 T CA -0.261 61.827 62.100 -0.021 0.000 0.989 170 T CB -0.093 68.766 68.868 -0.015 0.000 0.992 170 T HN -0.171 nan 8.240 nan 0.000 0.540 171 T N 4.829 119.414 114.554 0.052 0.000 2.870 171 T HA 0.311 4.661 4.350 -0.001 0.000 0.300 171 T C -2.499 172.252 174.700 0.085 0.000 0.989 171 T CA -0.793 61.358 62.100 0.085 0.000 1.139 171 T CB 0.837 69.737 68.868 0.054 0.000 0.920 171 T HN 0.160 nan 8.240 nan 0.000 0.537 172 P HA 0.189 nan 4.420 nan 0.000 0.271 172 P C -0.348 177.052 177.300 0.166 0.000 1.216 172 P CA -0.369 62.723 63.100 -0.012 0.000 0.771 172 P CB 0.282 32.015 31.700 0.055 0.000 0.864 173 F N 2.201 122.218 119.950 0.111 0.000 2.450 173 F HA 0.245 4.771 4.527 -0.001 0.000 0.339 173 F C 0.647 176.540 175.800 0.155 0.000 1.146 173 F CA -0.035 57.985 58.000 0.034 0.000 1.267 173 F CB -0.117 38.799 39.000 -0.140 0.000 1.178 173 F HN 0.327 nan 8.300 nan 0.000 0.585 174 Y N 3.154 123.586 120.300 0.220 0.000 2.583 174 Y HA 0.246 4.796 4.550 -0.001 0.000 0.303 174 Y C -2.641 173.314 175.900 0.091 0.000 1.108 174 Y CA -2.170 56.014 58.100 0.140 0.000 1.252 174 Y CB 0.643 39.186 38.460 0.139 0.000 1.114 174 Y HN 0.325 nan 8.280 nan 0.000 0.594 175 P HA 0.106 nan 4.420 nan 0.000 0.268 175 P C -0.254 177.163 177.300 0.195 0.000 1.208 175 P CA 0.152 63.316 63.100 0.106 0.000 0.777 175 P CB 0.979 32.670 31.700 -0.014 0.000 0.875 176 R N 0.111 120.717 120.500 0.176 0.000 2.616 176 R HA 0.274 4.613 4.340 -0.001 0.000 0.427 176 R C 0.036 176.462 176.300 0.210 0.000 1.030 176 R CA -0.050 56.187 56.100 0.229 0.000 1.133 176 R CB 0.179 30.626 30.300 0.245 0.000 1.444 176 R HN 0.714 nan 8.270 nan 0.000 0.578 177 S N -2.101 113.630 115.700 0.051 0.000 2.611 177 S HA 0.395 4.864 4.470 -0.001 0.000 0.268 177 S C -2.740 171.725 174.600 -0.225 0.000 1.156 177 S CA -0.987 57.079 58.200 -0.223 0.000 0.817 177 S CB 2.619 65.639 63.200 -0.300 0.000 1.122 177 S HN -0.290 nan 8.310 nan 0.000 0.466 178 P HA -0.039 nan 4.420 nan 0.000 0.218 178 P C 1.081 178.327 177.300 -0.091 0.000 1.149 178 P CA 0.866 63.856 63.100 -0.183 0.000 0.817 178 P CB -0.157 31.429 31.700 -0.190 0.000 0.785 179 Y N 0.601 120.780 120.300 -0.202 0.000 2.114 179 Y HA -0.131 4.419 4.550 -0.001 0.000 0.284 179 Y C 2.413 178.256 175.900 -0.095 0.000 1.143 179 Y CA 2.146 60.180 58.100 -0.109 0.000 1.135 179 Y CB -1.172 37.236 38.460 -0.087 0.000 0.980 179 Y HN -0.134 nan 8.280 nan 0.000 0.499 180 G N 0.007 108.735 108.800 -0.121 0.000 2.446 180 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 180 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 180 G C 1.831 176.592 174.900 -0.231 0.000 1.168 180 G CA 1.248 46.209 45.100 -0.231 0.000 0.771 180 G HN 0.650 nan 8.290 nan 0.000 0.551 181 A N 1.189 123.929 122.820 -0.133 0.000 1.877 181 A HA 0.241 4.561 4.320 -0.001 0.000 0.216 181 A C 2.843 180.383 177.584 -0.074 0.000 1.186 181 A CA 2.398 54.388 52.037 -0.078 0.000 0.620 181 A CB -0.873 18.097 19.000 -0.049 0.000 0.822 181 A HN 0.847 nan 8.150 nan 0.000 0.443 182 A N -0.543 122.206 122.820 -0.119 0.000 1.902 182 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 182 A C 2.078 179.604 177.584 -0.096 0.000 1.181 182 A CA 1.775 53.758 52.037 -0.089 0.000 0.623 182 A CB -0.346 18.588 19.000 -0.110 0.000 0.818 182 A HN 0.343 nan 8.150 nan 0.000 0.443 183 K N -0.744 119.481 120.400 -0.292 0.000 2.211 183 K HA -0.054 4.265 4.320 -0.001 0.000 0.203 183 K C 1.797 178.284 176.600 -0.188 0.000 1.050 183 K CA 0.857 56.958 56.287 -0.310 0.000 0.945 183 K CB -0.550 31.600 32.500 -0.584 0.000 0.732 183 K HN 0.449 nan 8.250 nan 0.000 0.451 184 L N 0.390 121.517 121.223 -0.161 0.000 2.093 184 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 184 L C 2.227 179.216 176.870 0.199 0.000 1.085 184 L CA 1.539 56.346 54.840 -0.055 0.000 0.755 184 L CB -0.830 41.225 42.059 -0.005 0.000 0.904 184 L HN 0.165 nan 8.230 nan 0.000 0.435 185 Y N 0.148 120.492 120.300 0.073 0.000 2.145 185 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 185 Y C 2.365 178.337 175.900 0.119 0.000 1.145 185 Y CA 2.017 60.191 58.100 0.124 0.000 1.148 185 Y CB -0.455 38.032 38.460 0.044 0.000 0.981 185 Y HN 0.207 nan 8.280 nan 0.000 0.507 186 A N -0.176 122.730 122.820 0.144 0.000 1.902 186 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 186 A C 2.161 179.695 177.584 -0.083 0.000 1.181 186 A CA 1.729 53.777 52.037 0.019 0.000 0.623 186 A CB -1.700 17.326 19.000 0.044 0.000 0.818 186 A HN 0.767 nan 8.150 nan 0.000 0.443 187 Y N -1.068 119.105 120.300 -0.210 0.000 2.081 187 Y HA -0.312 4.237 4.550 -0.001 0.000 0.280 187 Y C 2.164 177.860 175.900 -0.341 0.000 1.163 187 Y CA 2.268 60.168 58.100 -0.333 0.000 1.135 187 Y CB -0.464 37.708 38.460 -0.479 0.000 0.970 187 Y HN 0.459 nan 8.280 nan 0.000 0.498 188 W N -0.698 120.639 121.300 0.063 0.000 2.436 188 W HA -0.114 4.545 4.660 -0.001 0.000 0.284 188 W C 2.203 178.589 176.519 -0.222 0.000 1.225 188 W CA 0.518 57.828 57.345 -0.058 0.000 1.271 188 W CB -0.284 29.184 29.460 0.013 0.000 1.114 188 W HN 0.123 nan 8.180 nan 0.000 0.559 189 I N -0.276 120.202 120.570 -0.154 0.000 2.394 189 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 189 I C 2.046 178.131 176.117 -0.054 0.000 1.136 189 I CA 1.290 62.497 61.300 -0.155 0.000 1.425 189 I CB -0.613 37.177 38.000 -0.349 0.000 1.079 189 I HN -0.229 nan 8.210 nan 0.000 0.425 190 V N -0.488 119.306 119.914 -0.199 0.000 2.307 190 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 190 V C 2.494 178.466 176.094 -0.203 0.000 1.045 190 V CA 1.748 63.888 62.300 -0.267 0.000 1.024 190 V CB -0.497 31.135 31.823 -0.319 0.000 0.651 190 V HN 0.259 nan 8.190 nan 0.000 0.449 191 V N 0.621 120.374 119.914 -0.270 0.000 2.332 191 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 191 V C 2.312 178.368 176.094 -0.063 0.000 1.055 191 V CA 2.555 64.732 62.300 -0.204 0.000 1.038 191 V CB -0.894 30.809 31.823 -0.200 0.000 0.651 191 V HN 0.682 nan 8.190 nan 0.000 0.450 192 N N -0.732 117.972 118.700 0.006 0.000 2.166 192 N HA -0.169 4.570 4.740 -0.001 0.000 0.186 192 N C 1.894 177.342 175.510 -0.103 0.000 1.019 192 N CA 1.370 54.397 53.050 -0.039 0.000 0.856 192 N CB -0.106 38.366 38.487 -0.025 0.000 0.993 192 N HN 0.421 nan 8.380 nan 0.000 0.426 193 F N 1.676 121.532 119.950 -0.156 0.000 2.234 193 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 193 F C 2.731 178.465 175.800 -0.112 0.000 1.087 193 F CA 0.848 58.804 58.000 -0.074 0.000 1.340 193 F CB -0.344 38.618 39.000 -0.063 0.000 1.031 193 F HN 0.025 nan 8.300 nan 0.000 0.500 194 R N 0.663 121.172 120.500 0.016 0.000 2.070 194 R HA -0.172 4.168 4.340 -0.001 0.000 0.233 194 R C 2.051 178.290 176.300 -0.103 0.000 1.137 194 R CA 2.063 58.128 56.100 -0.058 0.000 0.945 194 R CB -0.336 29.885 30.300 -0.132 0.000 0.845 194 R HN 0.283 nan 8.270 nan 0.000 0.430 195 E N -0.379 119.738 120.200 -0.138 0.000 2.106 195 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 195 E C 1.892 178.348 176.600 -0.241 0.000 0.984 195 E CA 1.037 57.342 56.400 -0.158 0.000 0.806 195 E CB -0.016 29.607 29.700 -0.128 0.000 0.750 195 E HN 0.496 nan 8.360 nan 0.000 0.458 196 A N 0.233 122.801 122.820 -0.421 0.000 1.898 196 A HA -0.087 4.233 4.320 -0.001 0.000 0.214 196 A C 1.229 178.363 177.584 -0.751 0.000 1.183 196 A CA 0.964 52.559 52.037 -0.738 0.000 0.622 196 A CB -0.263 17.971 19.000 -1.276 0.000 0.824 196 A HN 0.308 nan 8.150 nan 0.000 0.444 197 Y N -1.337 118.891 120.300 -0.120 0.000 2.588 197 Y HA 0.209 4.758 4.550 -0.001 0.000 0.247 197 Y C 0.373 176.255 175.900 -0.030 0.000 1.157 197 Y CA -0.415 57.636 58.100 -0.082 0.000 1.215 197 Y CB 0.488 38.889 38.460 -0.098 0.000 1.245 197 Y HN 0.287 nan 8.280 nan 0.000 0.534 198 N N 0.879 119.604 118.700 0.043 0.000 2.725 198 N HA -0.192 4.547 4.740 -0.001 0.000 0.249 198 N C -0.604 174.961 175.510 0.091 0.000 1.103 198 N CA 0.536 53.612 53.050 0.044 0.000 0.707 198 N CB -1.325 37.190 38.487 0.048 0.000 1.043 198 N HN 0.308 nan 8.380 nan 0.000 0.553 199 L N 0.370 121.662 121.223 0.115 0.000 2.380 199 L HA 0.427 4.766 4.340 -0.001 0.000 0.273 199 L C 0.070 177.009 176.870 0.115 0.000 1.138 199 L CA -0.399 54.528 54.840 0.145 0.000 0.832 199 L CB 0.241 42.398 42.059 0.164 0.000 1.124 199 L HN 0.107 nan 8.230 nan 0.000 0.454 200 F N 5.948 125.925 119.950 0.045 0.000 2.468 200 F HA 0.577 5.104 4.527 -0.001 0.000 0.356 200 F C 0.098 175.931 175.800 0.054 0.000 1.167 200 F CA -0.048 57.974 58.000 0.037 0.000 1.135 200 F CB -0.239 38.783 39.000 0.037 0.000 1.197 200 F HN 0.668 nan 8.300 nan 0.000 0.569 201 A N 5.917 128.721 122.820 -0.027 0.000 2.422 201 A HA 0.767 5.086 4.320 -0.001 0.000 0.302 201 A C -1.377 176.151 177.584 -0.092 0.000 1.041 201 A CA -0.319 51.751 52.037 0.055 0.000 0.708 201 A CB 1.349 20.297 19.000 -0.086 0.000 1.257 201 A HN 1.011 nan 8.150 nan 0.000 0.414 202 V N -0.222 119.688 119.914 -0.007 0.000 3.007 202 V HA 0.684 4.804 4.120 -0.001 0.000 0.311 202 V C -0.960 175.016 176.094 -0.198 0.000 1.120 202 V CA -1.165 61.076 62.300 -0.099 0.000 0.980 202 V CB 2.283 34.139 31.823 0.056 0.000 1.033 202 V HN 0.733 nan 8.190 nan 0.000 0.429 203 N N 2.206 120.759 118.700 -0.245 0.000 2.444 203 N HA 0.492 5.232 4.740 -0.001 0.000 0.262 203 N C -0.001 175.439 175.510 -0.116 0.000 0.974 203 N CA 0.081 52.967 53.050 -0.275 0.000 0.933 203 N CB 2.037 40.345 38.487 -0.298 0.000 1.137 203 N HN 1.192 nan 8.380 nan 0.000 0.498 204 G N 2.278 110.944 108.800 -0.223 0.000 2.356 204 G HA2 0.394 4.354 3.960 -0.001 0.000 0.300 204 G HA3 0.394 4.354 3.960 -0.001 0.000 0.300 204 G C 0.231 175.194 174.900 0.105 0.000 1.107 204 G CA -0.433 44.736 45.100 0.116 0.000 0.960 204 G HN 0.583 nan 8.290 nan 0.000 0.418 205 I N 3.567 124.233 120.570 0.160 0.000 2.257 205 I HA 0.116 4.285 4.170 -0.001 0.000 0.290 205 I C -0.436 175.814 176.117 0.222 0.000 1.137 205 I CA -0.480 60.909 61.300 0.150 0.000 1.255 205 I CB 0.441 38.578 38.000 0.228 0.000 1.485 205 I HN 0.094 nan 8.210 nan 0.000 0.534 206 L N 5.420 126.762 121.223 0.198 0.000 2.326 206 L HA 0.389 4.728 4.340 -0.001 0.000 0.278 206 L C -0.003 177.064 176.870 0.328 0.000 1.092 206 L CA 0.214 55.239 54.840 0.307 0.000 0.810 206 L CB 0.248 42.510 42.059 0.338 0.000 1.153 206 L HN 0.175 nan 8.230 nan 0.000 0.439 207 F N 0.968 121.119 119.950 0.335 0.000 2.368 207 F HA 0.268 4.795 4.527 -0.001 0.000 0.315 207 F C 0.954 177.011 175.800 0.428 0.000 1.145 207 F CA -0.644 57.542 58.000 0.310 0.000 1.095 207 F CB 0.267 39.406 39.000 0.232 0.000 1.286 207 F HN 0.448 nan 8.300 nan 0.000 0.530 208 N N 1.220 120.125 118.700 0.341 0.000 2.292 208 N HA 0.000 4.740 4.740 -0.001 0.000 0.258 208 N C -0.857 174.826 175.510 0.289 0.000 1.261 208 N CA 0.569 53.735 53.050 0.195 0.000 0.845 208 N CB -0.219 38.325 38.487 0.095 0.000 1.064 208 N HN 0.441 nan 8.380 nan 0.000 0.471 209 H N -0.423 118.648 119.070 0.003 0.000 2.865 209 H HA 0.536 5.091 4.556 -0.001 0.000 0.362 209 H C -0.977 174.230 175.328 -0.202 0.000 1.114 209 H CA -0.824 55.090 56.048 -0.224 0.000 1.208 209 H CB 1.429 30.799 29.762 -0.653 0.000 1.727 209 H HN 0.428 nan 8.280 nan 0.000 0.534 210 E N 1.694 121.784 120.200 -0.183 0.000 2.404 210 E HA 0.634 4.983 4.350 -0.001 0.000 0.264 210 E C -0.404 175.942 176.600 -0.424 0.000 0.946 210 E CA -1.068 55.177 56.400 -0.258 0.000 0.806 210 E CB 2.446 32.016 29.700 -0.216 0.000 1.334 210 E HN 0.799 nan 8.360 nan 0.000 0.429 211 S N -2.036 113.467 115.700 -0.330 0.000 2.663 211 S HA 0.250 4.720 4.470 -0.001 0.000 0.264 211 S C -2.732 171.801 174.600 -0.112 0.000 1.112 211 S CA -0.847 57.139 58.200 -0.357 0.000 0.823 211 S CB 0.933 64.006 63.200 -0.211 0.000 1.111 211 S HN 0.166 nan 8.310 nan 0.000 0.476 212 P HA 0.192 nan 4.420 nan 0.000 0.230 212 P C 0.750 178.054 177.300 0.007 0.000 1.158 212 P CA 0.632 63.731 63.100 -0.002 0.000 0.769 212 P CB -0.035 31.684 31.700 0.031 0.000 0.807 213 R N -1.439 119.087 120.500 0.042 0.000 2.362 213 R HA 0.153 4.492 4.340 -0.001 0.000 0.227 213 R C 0.809 177.118 176.300 0.015 0.000 0.905 213 R CA -0.443 55.666 56.100 0.014 0.000 1.067 213 R CB -0.015 30.274 30.300 -0.019 0.000 1.078 213 R HN -0.002 nan 8.270 nan 0.000 0.516 214 R N 1.585 122.082 120.500 -0.004 0.000 2.640 214 R HA 0.018 4.358 4.340 -0.001 0.000 0.270 214 R C 0.080 176.424 176.300 0.072 0.000 1.024 214 R CA 0.266 56.351 56.100 -0.025 0.000 1.085 214 R CB 0.176 30.425 30.300 -0.085 0.000 0.963 214 R HN 0.154 nan 8.270 nan 0.000 0.426 215 G N 2.533 111.453 108.800 0.200 0.000 2.391 215 G HA2 0.212 4.171 3.960 -0.001 0.000 0.234 215 G HA3 0.212 4.171 3.960 -0.001 0.000 0.234 215 G C 0.734 175.784 174.900 0.249 0.000 1.284 215 G CA 0.020 45.309 45.100 0.316 0.000 0.873 215 G HN 0.883 nan 8.290 nan 0.000 0.549 216 A N 2.182 125.059 122.820 0.095 0.000 2.121 216 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 216 A C 2.138 179.709 177.584 -0.021 0.000 1.154 216 A CA 1.489 53.537 52.037 0.019 0.000 0.679 216 A CB -0.196 18.796 19.000 -0.014 0.000 0.795 216 A HN 0.599 nan 8.150 nan 0.000 0.458 217 N N -1.200 117.461 118.700 -0.065 0.000 2.463 217 N HA 0.103 4.842 4.740 -0.001 0.000 0.181 217 N C -0.274 175.127 175.510 -0.180 0.000 1.078 217 N CA 0.032 52.964 53.050 -0.196 0.000 0.902 217 N CB -0.281 37.956 38.487 -0.416 0.000 0.970 217 N HN 0.377 nan 8.380 nan 0.000 0.451 218 F N -0.838 119.153 119.950 0.070 0.000 2.380 218 F HA 0.128 4.655 4.527 -0.001 0.000 0.325 218 F C 1.688 177.444 175.800 -0.073 0.000 1.136 218 F CA -0.430 57.577 58.000 0.013 0.000 1.171 218 F CB 0.752 39.721 39.000 -0.052 0.000 1.230 218 F HN -0.290 nan 8.300 nan 0.000 0.554 219 V N 1.461 121.425 119.914 0.084 0.000 2.407 219 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 219 V C 2.121 178.044 176.094 -0.285 0.000 1.055 219 V CA 2.690 64.954 62.300 -0.061 0.000 1.049 219 V CB -0.608 31.218 31.823 0.006 0.000 0.662 219 V HN 1.058 nan 8.190 nan 0.000 0.455 220 T N -1.293 112.971 114.554 -0.484 0.000 2.737 220 T HA -0.258 4.092 4.350 -0.001 0.000 0.265 220 T C 1.992 176.420 174.700 -0.454 0.000 1.038 220 T CA 1.595 63.093 62.100 -1.004 0.000 1.144 220 T CB -0.499 67.727 68.868 -1.069 0.000 0.866 220 T HN 0.383 nan 8.240 nan 0.000 0.434 221 R N 1.613 121.980 120.500 -0.221 0.000 2.115 221 R HA 0.159 4.499 4.340 -0.001 0.000 0.226 221 R C 2.456 178.675 176.300 -0.135 0.000 1.100 221 R CA 1.482 57.508 56.100 -0.122 0.000 0.980 221 R CB -0.505 29.773 30.300 -0.036 0.000 0.875 221 R HN 0.594 nan 8.270 nan 0.000 0.445 222 K N 0.033 120.353 120.400 -0.134 0.000 2.057 222 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 222 K C 1.821 178.263 176.600 -0.263 0.000 1.049 222 K CA 1.747 57.937 56.287 -0.162 0.000 0.931 222 K CB -0.149 32.278 32.500 -0.121 0.000 0.714 222 K HN 0.210 nan 8.250 nan 0.000 0.440 223 I N 1.221 121.669 120.570 -0.203 0.000 2.163 223 I HA -0.281 3.889 4.170 -0.001 0.000 0.240 223 I C 2.581 178.547 176.117 -0.252 0.000 1.081 223 I CA 1.438 62.622 61.300 -0.193 0.000 1.353 223 I CB -0.413 37.624 38.000 0.061 0.000 1.054 223 I HN 0.338 nan 8.210 nan 0.000 0.407 224 S N 1.248 116.872 115.700 -0.128 0.000 2.370 224 S HA -0.214 4.256 4.470 -0.001 0.000 0.226 224 S C 2.130 176.606 174.600 -0.207 0.000 1.033 224 S CA 1.013 59.128 58.200 -0.141 0.000 1.011 224 S CB -0.563 62.589 63.200 -0.081 0.000 0.852 224 S HN 0.361 nan 8.310 nan 0.000 0.457 225 R N 1.073 121.451 120.500 -0.204 0.000 2.081 225 R HA 0.049 4.389 4.340 -0.001 0.000 0.235 225 R C 2.791 178.935 176.300 -0.261 0.000 1.131 225 R CA 1.556 57.543 56.100 -0.188 0.000 0.960 225 R CB -0.620 29.588 30.300 -0.152 0.000 0.856 225 R HN 0.438 nan 8.270 nan 0.000 0.436 226 S N 0.287 115.725 115.700 -0.436 0.000 2.368 226 S HA -0.086 4.383 4.470 -0.001 0.000 0.224 226 S C 2.082 176.389 174.600 -0.489 0.000 1.029 226 S CA 1.109 58.951 58.200 -0.598 0.000 0.988 226 S CB -0.085 62.287 63.200 -1.381 0.000 0.838 226 S HN 0.066 nan 8.310 nan 0.000 0.462 227 V N 1.943 121.524 119.914 -0.554 0.000 2.407 227 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 227 V C 2.563 178.492 176.094 -0.275 0.000 1.055 227 V CA 1.623 63.595 62.300 -0.546 0.000 1.049 227 V CB -1.102 30.305 31.823 -0.694 0.000 0.662 227 V HN 0.531 nan 8.190 nan 0.000 0.455 228 A N -0.420 122.281 122.820 -0.198 0.000 1.898 228 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 228 A C 2.302 179.889 177.584 0.005 0.000 1.181 228 A CA 1.753 53.753 52.037 -0.061 0.000 0.620 228 A CB -0.367 18.594 19.000 -0.065 0.000 0.819 228 A HN 0.522 nan 8.150 nan 0.000 0.442 229 K N -0.487 119.880 120.400 -0.055 0.000 2.097 229 K HA 0.030 4.350 4.320 -0.001 0.000 0.205 229 K C 1.760 178.365 176.600 0.008 0.000 1.050 229 K CA 1.225 57.497 56.287 -0.024 0.000 0.938 229 K CB -0.280 32.193 32.500 -0.044 0.000 0.718 229 K HN 0.529 nan 8.250 nan 0.000 0.442 230 I N 0.064 120.638 120.570 0.007 0.000 2.202 230 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 230 I C 2.350 178.515 176.117 0.081 0.000 1.091 230 I CA 1.154 62.485 61.300 0.052 0.000 1.368 230 I CB -0.306 37.720 38.000 0.042 0.000 1.058 230 I HN 0.142 nan 8.210 nan 0.000 0.410 231 Y N 1.814 122.077 120.300 -0.060 0.000 2.165 231 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 231 Y C 2.095 177.983 175.900 -0.021 0.000 1.155 231 Y CA 1.555 59.633 58.100 -0.036 0.000 1.164 231 Y CB -0.329 38.100 38.460 -0.051 0.000 0.978 231 Y HN 0.046 nan 8.280 nan 0.000 0.513 232 L N -0.200 120.986 121.223 -0.063 0.000 2.599 232 L HA 0.136 4.476 4.340 -0.001 0.000 0.230 232 L C 1.662 178.465 176.870 -0.112 0.000 1.141 232 L CA 0.697 55.437 54.840 -0.166 0.000 0.877 232 L CB -0.785 41.238 42.059 -0.059 0.000 1.009 232 L HN 0.519 nan 8.230 nan 0.000 0.447 233 G N 0.177 108.941 108.800 -0.060 0.000 2.160 233 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.251 233 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.251 233 G C 0.658 175.557 174.900 -0.003 0.000 1.008 233 G CA 0.415 45.502 45.100 -0.022 0.000 0.724 233 G HN 0.516 nan 8.290 nan 0.000 0.514 234 Q N -1.589 118.211 119.800 0.001 0.000 2.319 234 Q HA 0.576 4.915 4.340 -0.001 0.000 0.202 234 Q C 0.449 176.465 176.000 0.026 0.000 0.896 234 Q CA 0.394 56.201 55.803 0.006 0.000 0.942 234 Q CB 0.851 29.586 28.738 -0.005 0.000 1.083 234 Q HN 0.602 nan 8.270 nan 0.000 0.510 235 L N -1.051 120.201 121.223 0.048 0.000 2.612 235 L HA 0.210 4.549 4.340 -0.001 0.000 0.256 235 L C -0.404 176.548 176.870 0.135 0.000 0.949 235 L CA -0.168 54.722 54.840 0.083 0.000 0.867 235 L CB 1.756 43.858 42.059 0.070 0.000 1.417 235 L HN -0.230 nan 8.230 nan 0.000 0.414 236 E N 1.279 121.583 120.200 0.174 0.000 2.290 236 E HA 0.208 4.558 4.350 -0.001 0.000 0.199 236 E C -0.335 176.489 176.600 0.373 0.000 0.912 236 E CA 0.539 57.086 56.400 0.245 0.000 0.924 236 E CB 0.996 30.797 29.700 0.168 0.000 0.901 236 E HN 0.487 nan 8.360 nan 0.000 0.487 237 C N 0.545 120.035 119.300 0.316 0.000 3.170 237 C HA 0.664 5.124 4.460 -0.001 0.000 0.319 237 C C -1.687 173.551 174.990 0.413 0.000 1.260 237 C CA -0.881 58.354 59.018 0.362 0.000 1.374 237 C CB 0.593 28.455 27.740 0.204 0.000 1.739 237 C HN 0.315 nan 8.230 nan 0.000 0.479 238 F N 2.520 122.580 119.950 0.183 0.000 2.626 238 F HA 0.851 5.378 4.527 -0.001 0.000 0.311 238 F C -0.426 175.467 175.800 0.154 0.000 1.088 238 F CA -0.422 57.661 58.000 0.139 0.000 0.949 238 F CB 1.354 40.414 39.000 0.101 0.000 1.322 238 F HN 0.627 nan 8.300 nan 0.000 0.461 239 S N 2.227 118.028 115.700 0.168 0.000 2.532 239 S HA 0.837 5.307 4.470 -0.001 0.000 0.301 239 S C -1.128 173.499 174.600 0.046 0.000 1.083 239 S CA -0.703 57.541 58.200 0.073 0.000 1.025 239 S CB 1.832 65.173 63.200 0.235 0.000 1.056 239 S HN 0.823 nan 8.310 nan 0.000 0.494 240 L N 1.110 122.356 121.223 0.038 0.000 2.267 240 L HA 0.755 5.094 4.340 -0.001 0.000 0.264 240 L C 1.232 178.229 176.870 0.211 0.000 1.021 240 L CA -0.808 54.051 54.840 0.032 0.000 0.861 240 L CB 1.467 43.554 42.059 0.047 0.000 1.443 240 L HN 0.928 nan 8.230 nan 0.000 0.475 241 G N -0.785 108.099 108.800 0.140 0.000 3.198 241 G HA2 0.006 3.965 3.960 -0.001 0.000 0.203 241 G HA3 0.006 3.965 3.960 -0.001 0.000 0.203 241 G C -0.345 174.404 174.900 -0.251 0.000 1.950 241 G CA -0.130 45.045 45.100 0.125 0.000 0.798 241 G HN 0.494 nan 8.290 nan 0.000 0.720 242 N N 1.155 119.425 118.700 -0.716 0.000 2.399 242 N HA 0.178 4.918 4.740 -0.001 0.000 0.259 242 N C 1.285 176.674 175.510 -0.202 0.000 1.160 242 N CA -0.045 52.632 53.050 -0.622 0.000 0.946 242 N CB 0.663 38.718 38.487 -0.720 0.000 1.156 242 N HN 0.243 nan 8.380 nan 0.000 0.489 243 L N 1.754 122.905 121.223 -0.121 0.000 2.291 243 L HA 0.001 4.340 4.340 -0.001 0.000 0.214 243 L C 1.063 177.885 176.870 -0.080 0.000 1.120 243 L CA 0.706 55.479 54.840 -0.112 0.000 0.799 243 L CB -0.052 41.850 42.059 -0.261 0.000 0.925 243 L HN 0.528 nan 8.230 nan 0.000 0.446 244 D N 0.688 121.049 120.400 -0.065 0.000 2.355 244 D HA 0.065 4.705 4.640 -0.001 0.000 0.218 244 D C 1.022 177.326 176.300 0.007 0.000 1.004 244 D CA 0.245 54.230 54.000 -0.026 0.000 0.880 244 D CB 0.305 41.098 40.800 -0.011 0.000 0.911 244 D HN 0.211 nan 8.370 nan 0.000 0.528 245 A N 1.233 124.049 122.820 -0.005 0.000 2.498 245 A HA 0.098 4.418 4.320 -0.001 0.000 0.239 245 A C 0.384 177.960 177.584 -0.013 0.000 1.068 245 A CA 0.422 52.458 52.037 -0.003 0.000 0.766 245 A CB 0.404 19.393 19.000 -0.018 0.000 1.003 245 A HN -0.053 nan 8.150 nan 0.000 0.497 246 K N 1.898 122.251 120.400 -0.078 0.000 2.221 246 K HA 0.568 4.888 4.320 -0.001 0.000 0.258 246 K C -0.585 175.707 176.600 -0.512 0.000 0.944 246 K CA -0.778 55.372 56.287 -0.228 0.000 0.823 246 K CB 1.602 34.007 32.500 -0.158 0.000 1.113 246 K HN 0.665 nan 8.250 nan 0.000 0.431 247 R N 1.236 121.247 120.500 -0.815 0.000 2.837 247 R HA 0.241 4.580 4.340 -0.001 0.000 0.271 247 R C -1.167 174.649 176.300 -0.808 0.000 0.993 247 R CA -0.895 54.578 56.100 -1.045 0.000 0.931 247 R CB 1.556 30.707 30.300 -1.915 0.000 1.206 247 R HN 0.650 nan 8.270 nan 0.000 0.474 248 D N 1.472 121.593 120.400 -0.465 0.000 2.412 248 D HA 0.173 4.813 4.640 -0.001 0.000 0.224 248 D C -0.775 175.546 176.300 0.036 0.000 1.093 248 D CA -0.152 53.768 54.000 -0.134 0.000 0.850 248 D CB 0.560 41.324 40.800 -0.060 0.000 1.046 248 D HN 0.234 nan 8.370 nan 0.000 0.507 249 W N 3.439 124.877 121.300 0.230 0.000 2.475 249 W HA 0.565 5.224 4.660 -0.001 0.000 0.317 249 W C 0.361 177.037 176.519 0.262 0.000 1.046 249 W CA -0.913 56.590 57.345 0.264 0.000 1.215 249 W CB 1.969 31.657 29.460 0.380 0.000 1.335 249 W HN 0.399 nan 8.180 nan 0.000 0.471 250 G N 1.444 110.457 108.800 0.355 0.000 3.013 250 G HA2 0.305 4.265 3.960 -0.001 0.000 0.278 250 G HA3 0.305 4.265 3.960 -0.001 0.000 0.278 250 G C -1.591 173.246 174.900 -0.105 0.000 1.353 250 G CA -0.503 44.691 45.100 0.157 0.000 1.043 250 G HN 0.420 nan 8.290 nan 0.000 0.523 251 H N 0.281 119.215 119.070 -0.227 0.000 2.488 251 H HA 0.518 5.073 4.556 -0.001 0.000 0.322 251 H C 1.225 176.332 175.328 -0.369 0.000 1.078 251 H CA 0.014 55.926 56.048 -0.227 0.000 1.260 251 H CB 1.770 31.450 29.762 -0.137 0.000 1.425 251 H HN 0.468 nan 8.280 nan 0.000 0.471 252 A N 5.084 127.740 122.820 -0.274 0.000 1.986 252 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 252 A C 2.315 179.784 177.584 -0.193 0.000 1.171 252 A CA 1.801 53.750 52.037 -0.147 0.000 0.640 252 A CB -0.346 18.640 19.000 -0.022 0.000 0.811 252 A HN 0.785 nan 8.150 nan 0.000 0.451 253 K N -0.651 119.619 120.400 -0.217 0.000 2.097 253 K HA -0.177 4.143 4.320 -0.001 0.000 0.205 253 K C 1.154 177.676 176.600 -0.130 0.000 1.050 253 K CA 1.548 57.571 56.287 -0.440 0.000 0.938 253 K CB -0.146 31.980 32.500 -0.623 0.000 0.718 253 K HN 0.369 nan 8.250 nan 0.000 0.442 254 D N -0.249 120.168 120.400 0.030 0.000 2.117 254 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 254 D C 1.713 178.252 176.300 0.397 0.000 0.982 254 D CA 1.061 55.194 54.000 0.222 0.000 0.828 254 D CB -0.227 40.798 40.800 0.377 0.000 0.967 254 D HN 0.239 nan 8.370 nan 0.000 0.464 255 Y N 0.946 121.250 120.300 0.007 0.000 2.293 255 Y HA -0.107 4.443 4.550 -0.001 0.000 0.291 255 Y C 2.484 178.204 175.900 -0.301 0.000 1.137 255 Y CA 0.222 58.216 58.100 -0.177 0.000 1.202 255 Y CB -1.080 37.135 38.460 -0.409 0.000 0.990 255 Y HN -0.080 nan 8.280 nan 0.000 0.537 256 V N -1.497 118.337 119.914 -0.134 0.000 2.626 256 V HA -0.220 3.899 4.120 -0.001 0.000 0.252 256 V C 1.965 177.760 176.094 -0.497 0.000 1.067 256 V CA 2.025 64.144 62.300 -0.301 0.000 1.081 256 V CB -0.756 30.912 31.823 -0.258 0.000 0.686 256 V HN 0.381 nan 8.190 nan 0.000 0.468 257 E N 1.320 121.208 120.200 -0.520 0.000 2.110 257 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 257 E C 2.188 178.662 176.600 -0.209 0.000 0.988 257 E CA 1.471 57.494 56.400 -0.629 0.000 0.804 257 E CB -0.361 29.182 29.700 -0.262 0.000 0.745 257 E HN 0.694 nan 8.360 nan 0.000 0.458 258 A N 0.737 123.389 122.820 -0.280 0.000 1.972 258 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 258 A C 2.154 179.553 177.584 -0.308 0.000 1.169 258 A CA 1.472 53.214 52.037 -0.491 0.000 0.635 258 A CB -0.467 17.843 19.000 -1.150 0.000 0.810 258 A HN 0.305 nan 8.150 nan 0.000 0.446 259 M N -2.458 116.958 119.600 -0.306 0.000 2.080 259 M HA -0.189 4.290 4.480 -0.001 0.000 0.260 259 M C 2.157 178.457 176.300 0.000 0.000 1.068 259 M CA 2.060 57.155 55.300 -0.342 0.000 1.109 259 M CB -0.474 31.714 32.600 -0.686 0.000 1.342 259 M HN 0.734 nan 8.290 nan 0.000 0.405 260 W N 1.379 122.607 121.300 -0.120 0.000 2.358 260 W HA -0.149 4.510 4.660 -0.001 0.000 0.303 260 W C 1.814 178.377 176.519 0.072 0.000 1.208 260 W CA 1.361 58.756 57.345 0.084 0.000 1.274 260 W CB -0.330 29.188 29.460 0.096 0.000 1.138 260 W HN 0.051 nan 8.180 nan 0.000 0.515 261 L N 0.172 121.414 121.223 0.031 0.000 2.079 261 L HA -0.294 4.045 4.340 -0.001 0.000 0.210 261 L C 2.576 179.306 176.870 -0.233 0.000 1.081 261 L CA 1.721 56.453 54.840 -0.181 0.000 0.752 261 L CB -0.705 41.332 42.059 -0.036 0.000 0.896 261 L HN 0.066 nan 8.230 nan 0.000 0.433 262 M N -1.170 118.334 119.600 -0.160 0.000 2.159 262 M HA -0.223 4.257 4.480 -0.001 0.000 0.263 262 M C 1.825 178.196 176.300 0.118 0.000 1.063 262 M CA 1.447 56.725 55.300 -0.037 0.000 1.110 262 M CB -0.252 32.424 32.600 0.128 0.000 1.374 262 M HN 0.169 nan 8.290 nan 0.000 0.411 263 L N 0.035 121.263 121.223 0.009 0.000 2.552 263 L HA -0.082 4.257 4.340 -0.001 0.000 0.227 263 L C 2.192 178.874 176.870 -0.313 0.000 1.146 263 L CA 1.325 56.123 54.840 -0.071 0.000 0.858 263 L CB -0.656 41.316 42.059 -0.145 0.000 0.969 263 L HN 0.292 nan 8.230 nan 0.000 0.451 264 Q N -1.415 118.171 119.800 -0.358 0.000 2.384 264 Q HA 0.100 4.439 4.340 -0.001 0.000 0.207 264 Q C 0.693 176.600 176.000 -0.154 0.000 0.904 264 Q CA -0.059 55.511 55.803 -0.388 0.000 0.933 264 Q CB 0.095 28.448 28.738 -0.643 0.000 1.077 264 Q HN 0.544 nan 8.270 nan 0.000 0.522 265 N N 1.673 120.371 118.700 -0.003 0.000 2.416 265 N HA -0.081 4.659 4.740 -0.001 0.000 0.246 265 N C 0.218 175.858 175.510 0.217 0.000 1.260 265 N CA -0.006 53.117 53.050 0.122 0.000 0.897 265 N CB 0.834 39.450 38.487 0.215 0.000 1.110 265 N HN -0.020 nan 8.380 nan 0.000 0.439 266 D N 0.922 121.423 120.400 0.167 0.000 2.144 266 D HA -0.063 4.577 4.640 -0.001 0.000 0.199 266 D C -0.144 176.330 176.300 0.289 0.000 0.984 266 D CA 1.492 55.597 54.000 0.176 0.000 0.834 266 D CB 0.356 41.221 40.800 0.108 0.000 0.955 266 D HN 0.566 nan 8.370 nan 0.000 0.465 267 E N 0.228 120.563 120.200 0.225 0.000 2.244 267 E HA 0.311 4.660 4.350 -0.001 0.000 0.266 267 E C -2.434 174.068 176.600 -0.163 0.000 0.914 267 E CA -2.020 54.426 56.400 0.075 0.000 0.794 267 E CB 2.292 31.995 29.700 0.005 0.000 1.210 267 E HN -0.007 nan 8.360 nan 0.000 0.414 268 P HA 0.216 nan 4.420 nan 0.000 0.286 268 P C -0.705 176.351 177.300 -0.407 0.000 1.321 268 P CA 0.057 62.553 63.100 -1.008 0.000 0.790 268 P CB 0.943 31.815 31.700 -1.381 0.000 0.897 269 E N 2.083 122.163 120.200 -0.200 0.000 2.336 269 E HA 0.330 4.679 4.350 -0.001 0.000 0.267 269 E C -0.818 175.594 176.600 -0.314 0.000 0.906 269 E CA -0.878 55.349 56.400 -0.288 0.000 0.781 269 E CB 1.737 31.182 29.700 -0.426 0.000 1.261 269 E HN 0.416 nan 8.360 nan 0.000 0.436 270 D N 0.881 121.024 120.400 -0.427 0.000 2.225 270 D HA 0.443 5.083 4.640 -0.001 0.000 0.249 270 D C -0.809 175.220 176.300 -0.451 0.000 1.052 270 D CA 0.185 54.024 54.000 -0.268 0.000 0.909 270 D CB 0.792 41.495 40.800 -0.162 0.000 1.186 270 D HN 0.184 nan 8.370 nan 0.000 0.431 271 F N 0.004 119.972 119.950 0.031 0.000 2.581 271 F HA 0.214 4.740 4.527 -0.001 0.000 0.311 271 F C 0.007 175.844 175.800 0.063 0.000 1.113 271 F CA -1.075 56.946 58.000 0.035 0.000 0.935 271 F CB 1.562 40.550 39.000 -0.019 0.000 1.232 271 F HN -0.061 nan 8.300 nan 0.000 0.445 272 V N 4.781 124.864 119.914 0.282 0.000 2.583 272 V HA 0.339 4.459 4.120 -0.001 0.000 0.287 272 V C -0.115 176.041 176.094 0.103 0.000 1.051 272 V CA -0.252 62.214 62.300 0.276 0.000 1.010 272 V CB 1.147 33.138 31.823 0.279 0.000 0.988 272 V HN 0.395 nan 8.190 nan 0.000 0.478 273 I N 4.132 124.717 120.570 0.025 0.000 2.478 273 I HA 0.818 4.988 4.170 -0.001 0.000 0.287 273 I C 0.068 176.067 176.117 -0.197 0.000 1.042 273 I CA -0.127 60.929 61.300 -0.407 0.000 1.067 273 I CB 1.252 38.760 38.000 -0.819 0.000 1.233 273 I HN 0.780 nan 8.210 nan 0.000 0.431 274 A N 3.953 126.706 122.820 -0.113 0.000 2.540 274 A HA 0.619 4.939 4.320 -0.001 0.000 0.291 274 A C 0.351 178.056 177.584 0.201 0.000 1.083 274 A CA 0.191 52.266 52.037 0.063 0.000 0.650 274 A CB 1.103 19.857 19.000 -0.410 0.000 1.292 274 A HN 0.676 nan 8.150 nan 0.000 0.435 275 T N -3.166 111.519 114.554 0.218 0.000 3.044 275 T HA 0.441 4.790 4.350 -0.001 0.000 0.255 275 T C 1.620 176.360 174.700 0.066 0.000 1.073 275 T CA 1.448 63.666 62.100 0.198 0.000 1.125 275 T CB 0.190 69.210 68.868 0.253 0.000 0.908 275 T HN 2.731 nan 8.240 nan 0.000 0.480 276 G N 1.173 109.955 108.800 -0.030 0.000 2.176 276 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.253 276 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.253 276 G C -0.209 174.658 174.900 -0.055 0.000 0.979 276 G CA 0.078 45.132 45.100 -0.076 0.000 0.641 276 G HN 0.617 nan 8.290 nan 0.000 0.530 277 E N 0.006 120.198 120.200 -0.013 0.000 2.195 277 E HA 0.649 4.998 4.350 -0.001 0.000 0.271 277 E C -0.295 176.244 176.600 -0.102 0.000 0.923 277 E CA -0.653 55.729 56.400 -0.030 0.000 0.790 277 E CB 2.574 32.327 29.700 0.088 0.000 1.155 277 E HN 0.203 nan 8.360 nan 0.000 0.402 278 V N 3.395 123.145 119.914 -0.273 0.000 2.628 278 V HA 0.423 4.543 4.120 -0.001 0.000 0.306 278 V C -0.251 175.451 176.094 -0.654 0.000 1.045 278 V CA -0.670 61.397 62.300 -0.387 0.000 0.905 278 V CB 1.711 33.298 31.823 -0.393 0.000 0.997 278 V HN 0.596 nan 8.190 nan 0.000 0.436 279 H N 1.040 119.940 119.070 -0.283 0.000 2.961 279 H HA 0.507 5.062 4.556 -0.001 0.000 0.371 279 H C -0.427 174.911 175.328 0.016 0.000 1.190 279 H CA -0.520 55.420 56.048 -0.180 0.000 1.138 279 H CB 2.451 31.881 29.762 -0.554 0.000 1.816 279 H HN 0.729 nan 8.280 nan 0.000 0.551 280 S N -0.141 115.704 115.700 0.242 0.000 2.693 280 S HA 0.237 4.706 4.470 -0.001 0.000 0.276 280 S C 1.273 176.165 174.600 0.488 0.000 1.192 280 S CA -0.680 57.666 58.200 0.243 0.000 0.994 280 S CB 1.283 64.566 63.200 0.138 0.000 1.012 280 S HN 0.319 nan 8.310 nan 0.000 0.550 281 V N 1.383 121.540 119.914 0.405 0.000 2.343 281 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 281 V C 2.932 179.230 176.094 0.341 0.000 1.051 281 V CA 2.180 64.732 62.300 0.420 0.000 1.036 281 V CB -1.046 30.918 31.823 0.235 0.000 0.654 281 V HN 0.904 nan 8.190 nan 0.000 0.451 282 R N 0.051 120.659 120.500 0.179 0.000 2.094 282 R HA -0.229 4.111 4.340 -0.001 0.000 0.239 282 R C 2.333 178.852 176.300 0.365 0.000 1.137 282 R CA 2.246 58.413 56.100 0.112 0.000 0.943 282 R CB -0.251 29.934 30.300 -0.192 0.000 0.850 282 R HN 0.655 nan 8.270 nan 0.000 0.433 283 E N -0.776 119.640 120.200 0.360 0.000 2.153 283 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 283 E C 1.758 178.645 176.600 0.478 0.000 0.988 283 E CA 1.106 57.754 56.400 0.414 0.000 0.811 283 E CB -0.193 29.753 29.700 0.410 0.000 0.746 283 E HN 0.364 nan 8.360 nan 0.000 0.466 284 F N 0.947 121.127 119.950 0.383 0.000 2.186 284 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 284 F C 2.150 178.072 175.800 0.203 0.000 1.090 284 F CA 0.817 58.970 58.000 0.255 0.000 1.307 284 F CB 0.111 39.111 39.000 -0.000 0.000 1.019 284 F HN -0.197 nan 8.300 nan 0.000 0.489 285 V N 0.389 120.653 119.914 0.583 0.000 2.343 285 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 285 V C 2.116 178.543 176.094 0.554 0.000 1.051 285 V CA 2.333 65.000 62.300 0.612 0.000 1.036 285 V CB -0.625 31.646 31.823 0.746 0.000 0.654 285 V HN 0.346 nan 8.190 nan 0.000 0.451 286 E N -0.111 120.381 120.200 0.486 0.000 2.031 286 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 286 E C 2.341 179.074 176.600 0.222 0.000 0.994 286 E CA 1.269 57.883 56.400 0.356 0.000 0.800 286 E CB -0.188 29.719 29.700 0.346 0.000 0.752 286 E HN 0.535 nan 8.360 nan 0.000 0.447 287 K N 0.499 120.984 120.400 0.142 0.000 2.103 287 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 287 K C 2.410 179.017 176.600 0.011 0.000 1.048 287 K CA 1.195 57.483 56.287 0.002 0.000 0.930 287 K CB -0.122 32.312 32.500 -0.109 0.000 0.716 287 K HN -0.038 nan 8.250 nan 0.000 0.444 288 S N 0.797 116.486 115.700 -0.019 0.000 2.356 288 S HA -0.098 4.372 4.470 -0.001 0.000 0.223 288 S C 1.741 176.312 174.600 -0.049 0.000 1.032 288 S CA 1.268 59.427 58.200 -0.068 0.000 1.005 288 S CB -0.297 62.848 63.200 -0.091 0.000 0.867 288 S HN 0.207 nan 8.310 nan 0.000 0.449 289 F N 0.880 120.845 119.950 0.026 0.000 2.234 289 F HA -0.012 4.515 4.527 -0.001 0.000 0.299 289 F C 2.007 177.774 175.800 -0.056 0.000 1.087 289 F CA 0.362 58.357 58.000 -0.008 0.000 1.340 289 F CB -0.280 38.725 39.000 0.009 0.000 1.031 289 F HN 0.137 nan 8.300 nan 0.000 0.500 290 L N -0.339 120.939 121.223 0.092 0.000 2.079 290 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 290 L C 2.380 179.136 176.870 -0.189 0.000 1.081 290 L CA 1.880 56.676 54.840 -0.072 0.000 0.752 290 L CB -1.013 40.950 42.059 -0.159 0.000 0.896 290 L HN 0.210 nan 8.230 nan 0.000 0.433 291 H N -0.733 118.285 119.070 -0.086 0.000 2.546 291 H HA 0.091 4.646 4.556 -0.001 0.000 0.277 291 H C 1.505 176.742 175.328 -0.152 0.000 1.004 291 H CA 1.387 57.366 56.048 -0.114 0.000 1.231 291 H CB 0.102 29.743 29.762 -0.200 0.000 1.382 291 H HN 0.483 nan 8.280 nan 0.000 0.580 292 I N -3.509 116.999 120.570 -0.104 0.000 3.816 292 I HA 0.408 4.577 4.170 -0.001 0.000 0.334 292 I C 0.987 177.063 176.117 -0.069 0.000 1.551 292 I CA -0.094 61.038 61.300 -0.279 0.000 1.153 292 I CB 0.367 38.168 38.000 -0.332 0.000 1.197 292 I HN -0.022 nan 8.210 nan 0.000 0.439 293 G N 1.744 110.528 108.800 -0.028 0.000 2.295 293 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.287 293 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.287 293 G C -0.120 174.818 174.900 0.063 0.000 1.055 293 G CA 0.134 45.246 45.100 0.021 0.000 0.922 293 G HN 0.601 nan 8.290 nan 0.000 0.503 294 K N -0.453 120.000 120.400 0.088 0.000 2.464 294 K HA 0.589 4.909 4.320 -0.001 0.000 0.253 294 K C -0.656 175.973 176.600 0.048 0.000 0.933 294 K CA -0.680 55.663 56.287 0.093 0.000 0.801 294 K CB 1.868 34.471 32.500 0.172 0.000 1.271 294 K HN 0.064 nan 8.250 nan 0.000 0.430 295 T N 2.648 117.191 114.554 -0.018 0.000 2.770 295 T HA 0.395 4.745 4.350 -0.001 0.000 0.283 295 T C -0.390 174.217 174.700 -0.155 0.000 0.988 295 T CA -0.598 61.471 62.100 -0.052 0.000 0.957 295 T CB 0.452 69.297 68.868 -0.038 0.000 0.930 295 T HN 0.216 nan 8.240 nan 0.000 0.443 296 I N 3.611 124.042 120.570 -0.232 0.000 2.396 296 I HA 0.400 4.569 4.170 -0.001 0.000 0.292 296 I C -0.101 175.725 176.117 -0.485 0.000 0.999 296 I CA -0.569 60.444 61.300 -0.478 0.000 1.310 296 I CB 1.473 39.045 38.000 -0.713 0.000 1.404 296 I HN 0.306 nan 8.210 nan 0.000 0.496 297 V N 6.038 125.633 119.914 -0.532 0.000 2.540 297 V HA 0.393 4.512 4.120 -0.001 0.000 0.302 297 V C -1.035 174.780 176.094 -0.465 0.000 1.035 297 V CA -0.705 61.376 62.300 -0.364 0.000 0.873 297 V CB 1.576 33.296 31.823 -0.172 0.000 0.992 297 V HN 0.649 nan 8.190 nan 0.000 0.428 298 W N 3.105 124.401 121.300 -0.006 0.000 2.449 298 W HA 0.693 5.352 4.660 -0.001 0.000 0.331 298 W C 0.255 176.773 176.519 -0.001 0.000 1.119 298 W CA -0.391 56.953 57.345 -0.002 0.000 1.240 298 W CB 0.894 30.365 29.460 0.019 0.000 1.251 298 W HN 0.441 nan 8.180 nan 0.000 0.576 299 E N 1.573 121.918 120.200 0.242 0.000 2.356 299 E HA 0.606 4.956 4.350 -0.001 0.000 0.275 299 E C -0.035 176.646 176.600 0.135 0.000 0.904 299 E CA -0.902 55.582 56.400 0.140 0.000 0.757 299 E CB 2.084 31.824 29.700 0.066 0.000 1.232 299 E HN 0.660 nan 8.360 nan 0.000 0.442 300 G N 1.689 110.546 108.800 0.094 0.000 2.757 300 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.638 300 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.638 300 G C -1.034 173.911 174.900 0.075 0.000 1.344 300 G CA -0.742 44.403 45.100 0.075 0.000 0.855 300 G HN 0.317 nan 8.290 nan 0.000 0.537 301 K N 0.501 120.934 120.400 0.055 0.000 2.509 301 K HA 0.619 4.938 4.320 -0.001 0.000 0.266 301 K C 0.893 177.518 176.600 0.042 0.000 0.987 301 K CA -0.411 55.903 56.287 0.044 0.000 0.868 301 K CB 1.295 33.814 32.500 0.031 0.000 1.421 301 K HN 0.824 nan 8.250 nan 0.000 0.444 302 N N 1.584 120.311 118.700 0.045 0.000 1.156 302 N HA -0.274 4.465 4.740 -0.001 0.000 0.125 302 N C 0.844 176.395 175.510 0.069 0.000 0.726 302 N CA 1.891 54.974 53.050 0.054 0.000 0.887 302 N CB -0.756 37.736 38.487 0.007 0.000 1.163 302 N HN 0.855 nan 8.380 nan 0.000 0.564 303 E N 1.762 121.976 120.200 0.022 0.000 2.511 303 E HA 0.005 4.355 4.350 -0.001 0.000 0.196 303 E C 0.315 176.944 176.600 0.048 0.000 1.066 303 E CA 1.039 57.460 56.400 0.036 0.000 0.871 303 E CB -0.601 29.078 29.700 -0.034 0.000 0.863 303 E HN 0.621 nan 8.360 nan 0.000 0.520 304 N N 0.834 119.561 118.700 0.045 0.000 2.356 304 N HA -0.013 4.726 4.740 -0.001 0.000 0.178 304 N C 0.321 175.873 175.510 0.071 0.000 1.075 304 N CA -0.160 52.918 53.050 0.047 0.000 0.889 304 N CB 0.393 38.899 38.487 0.032 0.000 0.999 304 N HN 0.220 nan 8.380 nan 0.000 0.464 305 E N 1.850 122.104 120.200 0.089 0.000 2.442 305 E HA 0.105 4.455 4.350 -0.001 0.000 0.262 305 E C -0.658 176.051 176.600 0.181 0.000 1.004 305 E CA -0.264 56.217 56.400 0.134 0.000 0.928 305 E CB 0.627 30.397 29.700 0.116 0.000 0.937 305 E HN -0.003 nan 8.360 nan 0.000 0.446 306 V N 0.717 120.765 119.914 0.223 0.000 3.007 306 V HA 0.850 4.970 4.120 -0.001 0.000 0.311 306 V C -0.191 175.997 176.094 0.157 0.000 1.120 306 V CA -0.358 62.046 62.300 0.174 0.000 0.980 306 V CB 1.879 33.736 31.823 0.057 0.000 1.033 306 V HN 0.676 nan 8.190 nan 0.000 0.429 307 G N 3.051 111.815 108.800 -0.060 0.000 2.487 307 G HA2 0.734 4.694 3.960 -0.001 0.000 0.314 307 G HA3 0.734 4.694 3.960 -0.001 0.000 0.314 307 G C -0.577 174.069 174.900 -0.424 0.000 1.267 307 G CA -0.936 43.840 45.100 -0.540 0.000 0.937 307 G HN 1.228 nan 8.290 nan 0.000 0.481 308 R N 0.669 120.909 120.500 -0.434 0.000 2.807 308 R HA 0.635 4.975 4.340 -0.001 0.000 0.276 308 R C -0.646 175.457 176.300 -0.328 0.000 0.979 308 R CA -0.807 55.082 56.100 -0.352 0.000 0.928 308 R CB 1.064 31.216 30.300 -0.246 0.000 1.191 308 R HN 0.399 nan 8.270 nan 0.000 0.471 309 C N 3.388 122.538 119.300 -0.249 0.000 2.648 309 C HA 0.056 4.515 4.460 -0.001 0.000 0.406 309 C C 1.804 176.720 174.990 -0.123 0.000 1.406 309 C CA 0.029 58.970 59.018 -0.128 0.000 1.610 309 C CB -0.585 27.160 27.740 0.007 0.000 2.451 309 C HN 1.104 nan 8.230 nan 0.000 0.608 310 K N 3.096 123.425 120.400 -0.119 0.000 2.360 310 K HA -0.133 4.187 4.320 -0.001 0.000 0.201 310 K C 1.911 178.480 176.600 -0.052 0.000 1.046 310 K CA 1.560 57.794 56.287 -0.088 0.000 0.945 310 K CB -0.004 32.450 32.500 -0.078 0.000 0.750 310 K HN 0.868 nan 8.250 nan 0.000 0.464 311 E N -0.366 119.812 120.200 -0.036 0.000 2.127 311 E HA -0.056 4.294 4.350 -0.001 0.000 0.191 311 E C 1.453 178.044 176.600 -0.015 0.000 0.964 311 E CA 1.482 57.873 56.400 -0.015 0.000 0.832 311 E CB 0.392 30.094 29.700 0.003 0.000 0.790 311 E HN 0.470 nan 8.360 nan 0.000 0.465 312 T N -3.619 110.925 114.554 -0.017 0.000 3.022 312 T HA 0.257 4.606 4.350 -0.001 0.000 0.250 312 T C 1.410 176.077 174.700 -0.055 0.000 1.060 312 T CA 0.708 62.796 62.100 -0.021 0.000 1.013 312 T CB 0.645 69.515 68.868 0.005 0.000 0.982 312 T HN 0.223 nan 8.240 nan 0.000 0.508 313 G N 2.203 110.954 108.800 -0.081 0.000 2.166 313 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 313 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 313 G C -0.049 174.758 174.900 -0.154 0.000 0.986 313 G CA 0.293 45.330 45.100 -0.106 0.000 0.683 313 G HN 0.665 nan 8.290 nan 0.000 0.527 314 K N 0.178 120.449 120.400 -0.215 0.000 2.218 314 K HA 0.475 4.794 4.320 -0.001 0.000 0.276 314 K C 0.469 176.762 176.600 -0.512 0.000 1.022 314 K CA -0.721 55.370 56.287 -0.327 0.000 0.946 314 K CB 2.151 34.448 32.500 -0.338 0.000 1.000 314 K HN 0.011 nan 8.250 nan 0.000 0.468 315 V N 4.645 124.343 119.914 -0.360 0.000 2.470 315 V HA -0.023 4.096 4.120 -0.001 0.000 0.276 315 V C 0.844 176.757 176.094 -0.302 0.000 1.040 315 V CA 0.192 62.323 62.300 -0.282 0.000 1.008 315 V CB 0.168 31.914 31.823 -0.127 0.000 0.990 315 V HN 0.774 nan 8.190 nan 0.000 0.477 316 H N 2.949 121.950 119.070 -0.115 0.000 3.017 316 H HA 0.342 4.897 4.556 -0.001 0.000 0.255 316 H C -0.144 175.174 175.328 -0.018 0.000 0.990 316 H CA 0.384 56.432 56.048 0.001 0.000 1.205 316 H CB 1.478 31.188 29.762 -0.087 0.000 1.460 316 H HN 0.406 nan 8.280 nan 0.000 0.478 317 V N 2.341 122.216 119.914 -0.065 0.000 2.525 317 V HA 0.359 4.478 4.120 -0.001 0.000 0.299 317 V C 0.188 176.254 176.094 -0.046 0.000 1.034 317 V CA -0.736 61.446 62.300 -0.196 0.000 0.863 317 V CB 1.922 33.685 31.823 -0.100 0.000 0.999 317 V HN 0.354 nan 8.190 nan 0.000 0.423 318 T N 1.491 116.009 114.554 -0.061 0.000 2.910 318 T HA 0.869 5.218 4.350 -0.001 0.000 0.287 318 T C -0.712 174.037 174.700 0.081 0.000 1.050 318 T CA -0.825 61.303 62.100 0.046 0.000 1.011 318 T CB 2.087 70.988 68.868 0.055 0.000 1.195 318 T HN 0.325 nan 8.240 nan 0.000 0.540 319 V N 1.208 121.198 119.914 0.126 0.000 2.715 319 V HA 0.714 4.834 4.120 -0.001 0.000 0.310 319 V C -1.015 175.194 176.094 0.192 0.000 1.054 319 V CA -0.626 61.785 62.300 0.184 0.000 0.928 319 V CB 1.801 33.738 31.823 0.190 0.000 1.007 319 V HN 1.095 nan 8.190 nan 0.000 0.437 320 D N 2.137 122.699 120.400 0.271 0.000 2.855 320 D HA 0.355 4.995 4.640 -0.001 0.000 0.241 320 D C 0.622 177.017 176.300 0.158 0.000 1.277 320 D CA -0.513 53.587 54.000 0.166 0.000 0.918 320 D CB 2.074 42.964 40.800 0.149 0.000 1.462 320 D HN 0.330 nan 8.370 nan 0.000 0.559 321 L N 3.398 124.632 121.223 0.018 0.000 2.187 321 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 321 L C 2.387 179.258 176.870 0.001 0.000 1.100 321 L CA 1.182 55.990 54.840 -0.053 0.000 0.765 321 L CB -0.401 41.542 42.059 -0.193 0.000 0.904 321 L HN 0.506 nan 8.230 nan 0.000 0.437 322 K N -0.130 120.186 120.400 -0.141 0.000 2.362 322 K HA -0.223 4.097 4.320 -0.001 0.000 0.202 322 K C 1.425 177.871 176.600 -0.256 0.000 1.045 322 K CA 1.751 57.888 56.287 -0.250 0.000 0.936 322 K CB -0.456 31.803 32.500 -0.401 0.000 0.747 322 K HN 0.354 nan 8.250 nan 0.000 0.467 323 Y N -0.444 119.952 120.300 0.159 0.000 2.482 323 Y HA 0.131 4.680 4.550 -0.001 0.000 0.270 323 Y C 0.378 176.362 175.900 0.139 0.000 1.152 323 Y CA -0.901 57.279 58.100 0.134 0.000 1.292 323 Y CB 0.113 38.639 38.460 0.111 0.000 1.070 323 Y HN -0.094 nan 8.280 nan 0.000 0.528 324 Y N 0.824 121.171 120.300 0.079 0.000 2.330 324 Y HA 0.314 4.864 4.550 -0.001 0.000 0.341 324 Y C 0.349 176.232 175.900 -0.028 0.000 1.278 324 Y CA -0.742 57.380 58.100 0.038 0.000 1.453 324 Y CB 0.513 38.973 38.460 -0.000 0.000 1.342 324 Y HN -0.118 nan 8.280 nan 0.000 0.590 325 R N 1.457 122.002 120.500 0.075 0.000 2.589 325 R HA 0.348 4.688 4.340 -0.001 0.000 0.293 325 R C -1.827 174.355 176.300 -0.197 0.000 0.963 325 R CA -1.786 54.227 56.100 -0.145 0.000 0.905 325 R CB 0.517 30.800 30.300 -0.028 0.000 1.144 325 R HN 0.325 nan 8.270 nan 0.000 0.459 326 P HA -0.156 nan 4.420 nan 0.000 0.216 326 P C 0.066 177.313 177.300 -0.088 0.000 1.150 326 P CA 1.353 64.288 63.100 -0.275 0.000 0.843 326 P CB 0.340 31.801 31.700 -0.399 0.000 0.787 327 T N -0.753 113.781 114.554 -0.033 0.000 3.009 327 T HA 0.341 4.691 4.350 -0.001 0.000 0.346 327 T C -0.721 174.082 174.700 0.171 0.000 1.092 327 T CA -0.770 61.410 62.100 0.134 0.000 1.080 327 T CB 0.157 69.178 68.868 0.254 0.000 1.037 327 T HN -0.208 nan 8.240 nan 0.000 0.487 328 E N 2.836 123.105 120.200 0.116 0.000 2.374 328 E HA 0.417 4.766 4.350 -0.001 0.000 0.260 328 E C -0.736 175.930 176.600 0.111 0.000 1.101 328 E CA -0.441 56.024 56.400 0.108 0.000 0.907 328 E CB 0.990 30.733 29.700 0.073 0.000 1.014 328 E HN 0.392 nan 8.360 nan 0.000 0.427 329 V N 5.107 125.081 119.914 0.099 0.000 2.259 329 V HA 0.092 4.211 4.120 -0.001 0.000 0.267 329 V C 0.104 176.241 176.094 0.071 0.000 1.051 329 V CA -0.425 61.930 62.300 0.093 0.000 0.830 329 V CB 0.911 32.789 31.823 0.091 0.000 1.080 329 V HN 0.721 nan 8.190 nan 0.000 0.467 330 D N 2.768 123.219 120.400 0.086 0.000 2.178 330 D HA -0.076 4.563 4.640 -0.001 0.000 0.201 330 D C 0.172 176.568 176.300 0.162 0.000 0.980 330 D CA 1.761 55.821 54.000 0.100 0.000 0.842 330 D CB 0.326 41.186 40.800 0.099 0.000 0.948 330 D HN 0.468 nan 8.370 nan 0.000 0.472 331 F N -0.183 119.753 119.950 -0.023 0.000 2.622 331 F HA 0.391 4.918 4.527 -0.001 0.000 0.318 331 F C -1.968 173.833 175.800 0.000 0.000 1.135 331 F CA -0.841 57.139 58.000 -0.034 0.000 1.015 331 F CB 1.217 40.197 39.000 -0.033 0.000 1.275 331 F HN -0.346 nan 8.300 nan 0.000 0.457 332 L N 5.617 126.526 121.223 -0.524 0.000 2.436 332 L HA 0.571 4.910 4.340 -0.001 0.000 0.268 332 L C -1.358 175.267 176.870 -0.408 0.000 0.974 332 L CA -0.609 54.126 54.840 -0.176 0.000 0.826 332 L CB 2.344 44.417 42.059 0.024 0.000 1.291 332 L HN 0.688 nan 8.230 nan 0.000 0.406 333 Q N 1.797 121.522 119.800 -0.125 0.000 2.275 333 Q HA 0.559 4.899 4.340 -0.001 0.000 0.258 333 Q C -1.097 174.683 176.000 -0.367 0.000 0.960 333 Q CA -0.489 55.161 55.803 -0.255 0.000 0.801 333 Q CB 2.330 30.985 28.738 -0.138 0.000 1.302 333 Q HN 0.798 nan 8.270 nan 0.000 0.433 334 G N 1.729 109.980 108.800 -0.916 0.000 2.412 334 G HA2 0.357 4.317 3.960 -0.001 0.000 0.318 334 G HA3 0.357 4.317 3.960 -0.001 0.000 0.318 334 G C -1.129 173.456 174.900 -0.525 0.000 1.146 334 G CA -0.266 44.078 45.100 -1.258 0.000 0.882 334 G HN 0.598 nan 8.290 nan 0.000 0.501 335 D N 0.553 120.765 120.400 -0.313 0.000 2.460 335 D HA 0.170 4.810 4.640 -0.001 0.000 0.232 335 D C 1.061 177.335 176.300 -0.044 0.000 1.079 335 D CA -0.823 53.099 54.000 -0.130 0.000 0.864 335 D CB 0.432 41.185 40.800 -0.078 0.000 1.048 335 D HN 0.361 nan 8.370 nan 0.000 0.523 336 C N 2.225 121.527 119.300 0.003 0.000 2.319 336 C HA 0.308 4.767 4.460 -0.001 0.000 0.350 336 C C 1.784 176.854 174.990 0.134 0.000 1.326 336 C CA -0.559 58.516 59.018 0.095 0.000 1.737 336 C CB -1.710 26.128 27.740 0.163 0.000 1.988 336 C HN 0.516 nan 8.230 nan 0.000 0.582 337 T N 1.310 115.919 114.554 0.092 0.000 2.699 337 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 337 T C 1.954 176.733 174.700 0.132 0.000 1.036 337 T CA 2.107 64.263 62.100 0.094 0.000 1.147 337 T CB -0.167 68.737 68.868 0.059 0.000 0.862 337 T HN 0.787 nan 8.240 nan 0.000 0.446 338 K N 0.806 121.299 120.400 0.156 0.000 2.057 338 K HA -0.021 4.298 4.320 -0.001 0.000 0.207 338 K C 2.524 179.342 176.600 0.363 0.000 1.049 338 K CA 1.187 57.605 56.287 0.218 0.000 0.931 338 K CB -0.293 32.300 32.500 0.155 0.000 0.714 338 K HN 0.289 nan 8.250 nan 0.000 0.440 339 A N 1.451 124.493 122.820 0.371 0.000 1.933 339 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 339 A C 1.866 179.553 177.584 0.172 0.000 1.175 339 A CA 1.628 53.781 52.037 0.193 0.000 0.628 339 A CB -0.316 18.723 19.000 0.065 0.000 0.814 339 A HN 0.312 nan 8.150 nan 0.000 0.444 340 K N -0.427 120.098 120.400 0.208 0.000 2.057 340 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 340 K C 2.294 178.967 176.600 0.122 0.000 1.049 340 K CA 1.770 58.154 56.287 0.161 0.000 0.931 340 K CB -0.221 32.351 32.500 0.120 0.000 0.714 340 K HN 0.647 nan 8.250 nan 0.000 0.440 341 Q N 0.480 120.358 119.800 0.130 0.000 2.119 341 Q HA -0.096 4.243 4.340 -0.001 0.000 0.201 341 Q C 1.637 177.709 176.000 0.120 0.000 0.972 341 Q CA 1.255 57.125 55.803 0.112 0.000 0.847 341 Q CB 0.104 28.907 28.738 0.108 0.000 0.903 341 Q HN 0.222 nan 8.270 nan 0.000 0.433 342 K N -0.315 120.183 120.400 0.164 0.000 2.335 342 K HA 0.161 4.480 4.320 -0.001 0.000 0.195 342 K C 1.620 178.252 176.600 0.054 0.000 1.058 342 K CA 0.230 56.610 56.287 0.154 0.000 0.988 342 K CB 0.625 33.317 32.500 0.320 0.000 0.880 342 K HN 0.100 nan 8.250 nan 0.000 0.513 343 L N 0.049 121.266 121.223 -0.011 0.000 2.556 343 L HA 0.147 4.487 4.340 -0.001 0.000 0.226 343 L C 0.195 177.105 176.870 0.066 0.000 1.089 343 L CA -0.129 54.678 54.840 -0.054 0.000 0.864 343 L CB -0.148 41.786 42.059 -0.208 0.000 1.067 343 L HN 0.204 nan 8.230 nan 0.000 0.477 344 N N -0.239 118.515 118.700 0.090 0.000 2.735 344 N HA -0.249 4.490 4.740 -0.001 0.000 0.248 344 N C -0.542 175.042 175.510 0.123 0.000 1.083 344 N CA 0.350 53.454 53.050 0.089 0.000 0.703 344 N CB -1.065 37.464 38.487 0.069 0.000 1.005 344 N HN 0.513 nan 8.380 nan 0.000 0.550 345 W N 1.411 122.686 121.300 -0.041 0.000 2.436 345 W HA 0.645 5.304 4.660 -0.001 0.000 0.347 345 W C -0.323 176.173 176.519 -0.038 0.000 1.136 345 W CA -0.358 56.960 57.345 -0.046 0.000 1.286 345 W CB 0.727 30.130 29.460 -0.096 0.000 1.253 345 W HN 0.228 nan 8.180 nan 0.000 0.617 346 K N 4.534 124.198 120.400 -1.226 0.000 2.569 346 K HA 0.354 4.674 4.320 -0.001 0.000 0.259 346 K C -2.981 172.674 176.600 -1.575 0.000 0.932 346 K CA -1.675 53.868 56.287 -1.240 0.000 0.833 346 K CB 1.693 33.900 32.500 -0.488 0.000 1.340 346 K HN 0.213 nan 8.250 nan 0.000 0.429 347 P HA 0.070 nan 4.420 nan 0.000 0.268 347 P C -0.607 176.521 177.300 -0.287 0.000 1.205 347 P CA -0.245 62.533 63.100 -0.536 0.000 0.771 347 P CB 1.079 32.738 31.700 -0.067 0.000 0.858 348 R N 1.124 121.534 120.500 -0.150 0.000 2.142 348 R HA 0.169 4.509 4.340 -0.001 0.000 0.204 348 R C 0.287 176.554 176.300 -0.054 0.000 1.059 348 R CA 0.256 56.288 56.100 -0.113 0.000 1.055 348 R CB 0.083 30.316 30.300 -0.111 0.000 0.976 348 R HN 0.294 nan 8.270 nan 0.000 0.483 349 V N 1.724 121.630 119.914 -0.013 0.000 2.465 349 V HA 0.451 4.571 4.120 -0.001 0.000 0.279 349 V C 0.179 176.319 176.094 0.077 0.000 1.045 349 V CA -0.640 61.666 62.300 0.010 0.000 0.938 349 V CB 1.285 33.110 31.823 0.005 0.000 0.986 349 V HN 0.265 nan 8.190 nan 0.000 0.467 350 A N 3.368 126.226 122.820 0.063 0.000 2.269 350 A HA 0.655 4.974 4.320 -0.001 0.000 0.327 350 A C 0.605 178.263 177.584 0.123 0.000 1.112 350 A CA -0.545 51.565 52.037 0.121 0.000 0.865 350 A CB 0.465 19.526 19.000 0.102 0.000 1.227 350 A HN 0.792 nan 8.150 nan 0.000 0.498 351 F N 0.250 120.213 119.950 0.020 0.000 2.091 351 F HA -0.280 4.246 4.527 -0.001 0.000 0.299 351 F C 1.811 177.509 175.800 -0.171 0.000 1.103 351 F CA 2.679 60.631 58.000 -0.080 0.000 1.228 351 F CB 0.124 38.990 39.000 -0.224 0.000 0.984 351 F HN 0.682 nan 8.300 nan 0.000 0.477 352 D N 0.076 120.382 120.400 -0.156 0.000 2.104 352 D HA -0.244 4.396 4.640 -0.001 0.000 0.194 352 D C 2.115 178.236 176.300 -0.299 0.000 0.994 352 D CA 1.664 55.514 54.000 -0.251 0.000 0.830 352 D CB -0.551 40.220 40.800 -0.047 0.000 0.959 352 D HN 0.533 nan 8.370 nan 0.000 0.452 353 E N 0.149 120.234 120.200 -0.192 0.000 2.150 353 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 353 E C 2.193 178.643 176.600 -0.250 0.000 0.985 353 E CA 0.217 56.504 56.400 -0.188 0.000 0.814 353 E CB 0.019 29.661 29.700 -0.097 0.000 0.752 353 E HN 0.068 nan 8.360 nan 0.000 0.466 354 L N 0.378 121.447 121.223 -0.257 0.000 2.017 354 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 354 L C 2.224 178.828 176.870 -0.442 0.000 1.073 354 L CA 1.375 56.066 54.840 -0.248 0.000 0.745 354 L CB -0.535 41.419 42.059 -0.175 0.000 0.894 354 L HN -0.018 nan 8.230 nan 0.000 0.432 355 V N 0.185 119.652 119.914 -0.745 0.000 2.295 355 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 355 V C 2.802 178.414 176.094 -0.803 0.000 1.049 355 V CA 2.138 63.883 62.300 -0.926 0.000 1.024 355 V CB -0.748 30.316 31.823 -1.265 0.000 0.648 355 V HN 0.554 nan 8.190 nan 0.000 0.447 356 R N 0.074 120.016 120.500 -0.930 0.000 2.083 356 R HA -0.254 4.086 4.340 -0.001 0.000 0.237 356 R C 2.397 178.153 176.300 -0.907 0.000 1.137 356 R CA 2.293 57.620 56.100 -1.290 0.000 0.951 356 R CB -0.360 29.349 30.300 -0.985 0.000 0.851 356 R HN 0.668 nan 8.270 nan 0.000 0.434 357 E N 0.018 119.908 120.200 -0.517 0.000 2.110 357 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 357 E C 2.001 178.463 176.600 -0.231 0.000 0.988 357 E CA 1.602 57.833 56.400 -0.282 0.000 0.804 357 E CB -0.009 29.611 29.700 -0.133 0.000 0.745 357 E HN 0.437 nan 8.360 nan 0.000 0.458 358 M N -0.188 119.252 119.600 -0.266 0.000 2.156 358 M HA -0.121 4.359 4.480 -0.001 0.000 0.264 358 M C 2.350 178.540 176.300 -0.183 0.000 1.067 358 M CA 0.821 56.014 55.300 -0.179 0.000 1.131 358 M CB 0.035 32.554 32.600 -0.135 0.000 1.368 358 M HN 0.038 nan 8.290 nan 0.000 0.416 359 V N -0.269 119.470 119.914 -0.291 0.000 2.358 359 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 359 V C 2.310 178.339 176.094 -0.107 0.000 1.047 359 V CA 1.797 63.953 62.300 -0.238 0.000 1.035 359 V CB -0.978 30.649 31.823 -0.326 0.000 0.658 359 V HN 0.395 nan 8.190 nan 0.000 0.452 360 H N 0.391 119.337 119.070 -0.207 0.000 2.357 360 H HA 0.020 4.575 4.556 -0.001 0.000 0.301 360 H C 2.334 177.600 175.328 -0.104 0.000 1.082 360 H CA 1.365 57.322 56.048 -0.151 0.000 1.342 360 H CB -0.803 28.872 29.762 -0.145 0.000 1.389 360 H HN 0.429 nan 8.280 nan 0.000 0.511 361 A N 0.992 123.824 122.820 0.021 0.000 1.908 361 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 361 A C 2.005 179.579 177.584 -0.016 0.000 1.181 361 A CA 2.010 54.045 52.037 -0.003 0.000 0.627 361 A CB -0.314 18.674 19.000 -0.020 0.000 0.818 361 A HN 0.288 nan 8.150 nan 0.000 0.445 362 D N -0.615 119.764 120.400 -0.035 0.000 2.224 362 D HA -0.037 4.602 4.640 -0.001 0.000 0.205 362 D C 2.036 178.325 176.300 -0.019 0.000 0.965 362 D CA 0.974 54.950 54.000 -0.041 0.000 0.852 362 D CB -0.178 40.579 40.800 -0.072 0.000 0.947 362 D HN 0.210 nan 8.370 nan 0.000 0.494 363 V N 0.901 120.816 119.914 0.001 0.000 2.358 363 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 363 V C 2.358 178.472 176.094 0.033 0.000 1.047 363 V CA 1.483 63.811 62.300 0.046 0.000 1.035 363 V CB -0.243 31.626 31.823 0.076 0.000 0.658 363 V HN 0.026 nan 8.190 nan 0.000 0.452 364 E N -0.140 120.067 120.200 0.013 0.000 2.110 364 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 364 E C 1.864 178.459 176.600 -0.008 0.000 0.988 364 E CA 0.964 57.364 56.400 -0.001 0.000 0.804 364 E CB -0.374 29.320 29.700 -0.010 0.000 0.745 364 E HN 0.487 nan 8.360 nan 0.000 0.458 365 L N -0.455 120.760 121.223 -0.012 0.000 2.072 365 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 365 L C 1.838 178.698 176.870 -0.016 0.000 1.079 365 L CA 1.519 56.349 54.840 -0.018 0.000 0.752 365 L CB -0.257 41.789 42.059 -0.023 0.000 0.906 365 L HN 0.116 nan 8.230 nan 0.000 0.436 366 M N -0.724 118.868 119.600 -0.013 0.000 2.319 366 M HA -0.093 4.387 4.480 -0.001 0.000 0.265 366 M C 2.381 178.674 176.300 -0.011 0.000 1.068 366 M CA 1.209 56.501 55.300 -0.014 0.000 1.118 366 M CB -1.146 31.446 32.600 -0.013 0.000 1.395 366 M HN 0.353 nan 8.290 nan 0.000 0.435 367 R N 0.567 121.063 120.500 -0.006 0.000 2.075 367 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 367 R C 2.112 178.402 176.300 -0.016 0.000 1.126 367 R CA 2.018 58.112 56.100 -0.010 0.000 0.963 367 R CB -0.200 30.099 30.300 -0.002 0.000 0.858 367 R HN 0.458 nan 8.270 nan 0.000 0.435 368 T N -1.694 112.850 114.554 -0.016 0.000 3.007 368 T HA -0.037 4.313 4.350 -0.001 0.000 0.270 368 T C 0.064 174.752 174.700 -0.019 0.000 1.107 368 T CA 0.870 62.959 62.100 -0.019 0.000 1.118 368 T CB -0.480 68.376 68.868 -0.021 0.000 0.889 368 T HN 0.594 nan 8.240 nan 0.000 0.506 369 N N 0.000 118.690 118.700 -0.017 0.000 1.763 369 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 369 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 369 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 369 N HN 0.000 nan 8.380 nan 0.000 0.667