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 2bg9_1_C DATA FIRST_RESID 1 DATA SEQUENCE VNEEERLIND LLIVNKYNKH VRPVKHNNEV VNIALSLTLS NLISLKETDE DATA SEQUENCE TLTTNVWMDH AWYDHRLTWN ASEYSDISIL RLRPELIWIP DIVLQNNNDG DATA SEQUENCE QYNVAYFCNV LVRPNGYVTW LPPAIFRSSc PINVLYFPFD WQNcSLKFTA DATA SEQUENCE LNYNANEISM DLXXXXXXXX XXXXXXXIID PEAFTENGEW EIIHKPAKKN DATA SEQUENCE IYGDKFPNGT NYQDVTFYLI IRRKPLFYVI NFITPCVLIS FLAALAFYLP DATA SEQUENCE AESGEKMSTA ICVLLAQAVF LLLTSQRLPE TALAVPLIGK YLMFIMSLVT DATA SEQUENCE GVVVNCGIVL NFHFRTPSTH XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX SGIDSTNYIV KQIKEKNAYD EEVGNWNLVG DATA SEQUENCE QTIDRLSMFI ITPVMVLGTI FIFVMGNFNR PPAK 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.111 176.094 0.028 0.000 1.182 1 V CA 0.000 62.313 62.300 0.022 0.000 1.235 1 V CB 0.000 31.833 31.823 0.017 0.000 1.184 2 N N 3.719 122.435 118.700 0.026 0.000 2.399 2 N HA -0.109 4.631 4.740 0.000 0.000 0.297 2 N C 1.069 176.606 175.510 0.046 0.000 1.219 2 N CA 1.223 54.293 53.050 0.033 0.000 1.154 2 N CB -0.472 38.033 38.487 0.032 0.000 1.464 2 N HN 0.615 nan 8.380 nan 0.000 0.495 3 E N 0.480 120.706 120.200 0.044 0.000 3.065 3 E HA -0.414 3.937 4.350 0.000 0.000 0.277 3 E C 0.476 177.114 176.600 0.064 0.000 1.008 3 E CA 1.602 58.033 56.400 0.052 0.000 0.864 3 E CB -1.408 28.327 29.700 0.058 0.000 1.439 3 E HN 0.922 nan 8.360 nan 0.000 0.445 4 E N 0.534 120.769 120.200 0.059 0.000 2.015 4 E HA -0.217 4.133 4.350 0.000 0.000 0.191 4 E C 1.643 178.288 176.600 0.074 0.000 0.991 4 E CA 1.196 57.639 56.400 0.072 0.000 0.802 4 E CB -0.501 29.230 29.700 0.052 0.000 0.759 4 E HN 0.559 nan 8.360 nan 0.000 0.447 5 E N 1.347 121.582 120.200 0.057 0.000 2.048 5 E HA -0.262 4.088 4.350 0.000 0.000 0.202 5 E C 2.368 179.005 176.600 0.061 0.000 1.021 5 E CA 1.763 58.197 56.400 0.055 0.000 0.825 5 E CB -0.414 29.311 29.700 0.042 0.000 0.756 5 E HN 0.306 nan 8.360 nan 0.000 0.454 6 R N 0.678 121.211 120.500 0.055 0.000 2.096 6 R HA -0.135 4.205 4.340 0.000 0.000 0.240 6 R C 2.656 178.995 176.300 0.065 0.000 1.139 6 R CA 1.280 57.412 56.100 0.053 0.000 0.952 6 R CB -0.599 29.729 30.300 0.046 0.000 0.854 6 R HN 0.214 nan 8.270 nan 0.000 0.436 7 L N 0.333 121.605 121.223 0.082 0.000 2.027 7 L HA -0.154 4.186 4.340 0.000 0.000 0.206 7 L C 2.203 179.143 176.870 0.118 0.000 1.074 7 L CA 1.075 55.976 54.840 0.102 0.000 0.745 7 L CB -0.136 42.004 42.059 0.135 0.000 0.898 7 L HN 0.167 nan 8.230 nan 0.000 0.433 8 I N 0.346 121.002 120.570 0.143 0.000 2.916 8 I HA -0.232 3.938 4.170 0.000 0.000 0.267 8 I C 2.058 178.235 176.117 0.100 0.000 1.263 8 I CA 0.863 62.257 61.300 0.156 0.000 1.471 8 I CB -0.590 37.522 38.000 0.187 0.000 1.089 8 I HN 0.303 nan 8.210 nan 0.000 0.468 9 N N 0.131 118.879 118.700 0.080 0.000 2.333 9 N HA -0.129 4.611 4.740 0.000 0.000 0.178 9 N C 1.335 176.875 175.510 0.051 0.000 1.018 9 N CA 0.856 53.942 53.050 0.060 0.000 0.882 9 N CB 0.079 38.596 38.487 0.051 0.000 0.984 9 N HN 0.316 nan 8.380 nan 0.000 0.434 10 D N 0.841 121.273 120.400 0.053 0.000 2.097 10 D HA -0.093 4.547 4.640 0.000 0.000 0.195 10 D C 2.019 178.336 176.300 0.029 0.000 0.989 10 D CA 0.759 54.782 54.000 0.039 0.000 0.827 10 D CB 0.102 40.927 40.800 0.042 0.000 0.966 10 D HN 0.324 nan 8.370 nan 0.000 0.456 11 L N 0.070 121.308 121.223 0.024 0.000 2.127 11 L HA 0.027 4.367 4.340 0.000 0.000 0.203 11 L C 1.478 178.372 176.870 0.040 0.000 1.080 11 L CA 0.160 54.993 54.840 -0.010 0.000 0.768 11 L CB -0.151 41.842 42.059 -0.111 0.000 0.924 11 L HN 0.002 nan 8.230 nan 0.000 0.444 12 L N 0.027 121.284 121.223 0.057 0.000 4.132 12 L HA -0.356 3.984 4.340 0.000 0.000 0.451 12 L C 1.401 178.326 176.870 0.092 0.000 1.099 12 L CA 0.318 55.199 54.840 0.070 0.000 0.977 12 L CB -1.614 40.477 42.059 0.054 0.000 1.852 12 L HN 0.328 nan 8.230 nan 0.000 1.069 13 I N -3.091 117.541 120.570 0.104 0.000 4.823 13 I HA -0.588 3.582 4.170 0.000 0.000 0.049 13 I C 1.987 178.257 176.117 0.255 0.000 0.634 13 I CA 2.245 63.658 61.300 0.187 0.000 0.421 13 I CB -1.415 36.678 38.000 0.154 0.000 0.440 13 I HN 0.218 nan 8.210 nan 0.000 0.158 14 V N 0.990 120.998 119.914 0.156 0.000 2.332 14 V HA -0.309 3.811 4.120 0.000 0.000 0.248 14 V C 1.996 178.094 176.094 0.006 0.000 1.055 14 V CA 2.975 65.316 62.300 0.068 0.000 1.038 14 V CB -0.690 31.170 31.823 0.061 0.000 0.651 14 V HN 0.612 nan 8.190 nan 0.000 0.450 15 N N -1.594 117.123 118.700 0.028 0.000 2.220 15 N HA -0.080 4.660 4.740 0.000 0.000 0.182 15 N C 1.844 177.356 175.510 0.003 0.000 1.023 15 N CA 0.568 53.624 53.050 0.009 0.000 0.856 15 N CB 0.027 38.527 38.487 0.021 0.000 0.997 15 N HN 0.285 nan 8.380 nan 0.000 0.429 16 K N 0.081 120.500 120.400 0.031 0.000 2.128 16 K HA -0.042 4.278 4.320 0.000 0.000 0.202 16 K C 0.309 176.938 176.600 0.048 0.000 1.050 16 K CA 0.244 56.550 56.287 0.032 0.000 0.966 16 K CB -0.732 31.792 32.500 0.041 0.000 0.759 16 K HN 0.240 nan 8.250 nan 0.000 0.454 17 Y N 3.282 123.563 120.300 -0.031 0.000 2.411 17 Y HA 0.093 4.643 4.550 0.000 0.000 0.333 17 Y C -0.267 175.614 175.900 -0.032 0.000 1.186 17 Y CA -1.009 57.065 58.100 -0.042 0.000 1.381 17 Y CB 0.284 38.716 38.460 -0.047 0.000 1.273 17 Y HN -0.004 nan 8.280 nan 0.000 0.546 18 N N 6.444 124.748 118.700 -0.660 0.000 2.521 18 N HA 0.036 4.777 4.740 0.000 0.000 0.236 18 N C 0.441 175.076 175.510 -1.458 0.000 1.067 18 N CA -0.249 52.357 53.050 -0.739 0.000 0.939 18 N CB 1.376 39.658 38.487 -0.342 0.000 1.201 18 N HN 0.575 nan 8.380 nan 0.000 0.511 19 K N 1.257 120.904 120.400 -1.256 0.000 2.228 19 K HA -0.112 4.208 4.320 0.000 0.000 0.202 19 K C 1.423 177.857 176.600 -0.277 0.000 1.051 19 K CA 1.230 57.061 56.287 -0.759 0.000 0.960 19 K CB -0.261 32.143 32.500 -0.160 0.000 0.743 19 K HN 0.535 nan 8.250 nan 0.000 0.458 20 H N -0.770 118.139 119.070 -0.268 0.000 2.547 20 H HA 0.261 4.817 4.556 0.000 0.000 0.266 20 H C -0.886 174.343 175.328 -0.166 0.000 0.988 20 H CA 0.145 56.106 56.048 -0.145 0.000 1.147 20 H CB 0.231 29.925 29.762 -0.113 0.000 1.365 20 H HN -0.095 nan 8.280 nan 0.000 0.589 21 V N 2.302 121.897 119.914 -0.532 0.000 2.378 21 V HA 0.328 4.448 4.120 0.000 0.000 0.288 21 V C -0.433 175.399 176.094 -0.436 0.000 1.016 21 V CA -0.940 61.075 62.300 -0.476 0.000 0.840 21 V CB 1.255 32.893 31.823 -0.309 0.000 0.994 21 V HN 0.334 nan 8.190 nan 0.000 0.431 22 R N 6.605 126.793 120.500 -0.520 0.000 2.216 22 R HA 0.344 4.684 4.340 0.000 0.000 0.332 22 R C -2.397 173.541 176.300 -0.603 0.000 1.056 22 R CA -1.691 53.885 56.100 -0.873 0.000 0.901 22 R CB 0.130 29.752 30.300 -1.130 0.000 1.039 22 R HN 0.400 nan 8.270 nan 0.000 0.456 23 P HA -0.025 nan 4.420 nan 0.000 0.252 23 P C -0.360 176.609 177.300 -0.552 0.000 1.635 23 P CA 0.211 63.057 63.100 -0.424 0.000 1.206 23 P CB 0.164 31.659 31.700 -0.341 0.000 1.911 24 V N 2.039 121.728 119.914 -0.376 0.000 3.110 24 V HA 0.111 4.231 4.120 0.000 0.000 0.368 24 V C 1.203 177.143 176.094 -0.256 0.000 1.332 24 V CA -0.420 61.726 62.300 -0.257 0.000 1.287 24 V CB -0.924 30.833 31.823 -0.111 0.000 1.277 24 V HN 0.384 nan 8.190 nan 0.000 0.502 25 K N 1.801 121.929 120.400 -0.454 0.000 2.975 25 K HA -0.276 4.044 4.320 0.000 0.000 0.257 25 K C 0.155 176.419 176.600 -0.561 0.000 1.005 25 K CA 1.199 57.134 56.287 -0.587 0.000 0.738 25 K CB -1.956 30.352 32.500 -0.320 0.000 1.236 25 K HN 0.866 nan 8.250 nan 0.000 0.483 26 H N -2.920 116.075 119.070 -0.124 0.000 3.040 26 H HA -0.186 4.370 4.556 0.000 0.000 0.130 26 H C 0.067 175.362 175.328 -0.056 0.000 1.007 26 H CA 0.522 56.519 56.048 -0.085 0.000 1.155 26 H CB -1.369 28.354 29.762 -0.066 0.000 2.019 26 H HN 0.495 nan 8.280 nan 0.000 0.486 27 N N 2.697 121.459 118.700 0.104 0.000 2.417 27 N HA -0.069 4.671 4.740 0.000 0.000 0.272 27 N C -0.280 175.254 175.510 0.040 0.000 1.304 27 N CA 0.995 54.076 53.050 0.051 0.000 0.906 27 N CB -0.116 38.393 38.487 0.036 0.000 1.135 27 N HN 0.580 nan 8.380 nan 0.000 0.483 28 N N 2.641 121.360 118.700 0.031 0.000 3.682 28 N HA 0.020 4.760 4.740 0.000 0.000 0.323 28 N C 0.599 176.127 175.510 0.031 0.000 1.402 28 N CA -0.402 52.663 53.050 0.024 0.000 0.619 28 N CB 0.154 38.648 38.487 0.011 0.000 3.366 28 N HN 0.495 nan 8.380 nan 0.000 0.520 29 E N 0.156 120.375 120.200 0.031 0.000 2.033 29 E HA 0.322 4.672 4.350 0.000 0.000 0.189 29 E C -0.308 176.324 176.600 0.053 0.000 0.979 29 E CA 0.806 57.228 56.400 0.038 0.000 0.802 29 E CB 0.251 29.971 29.700 0.034 0.000 0.763 29 E HN 0.222 nan 8.360 nan 0.000 0.449 30 V N -0.500 119.449 119.914 0.059 0.000 3.047 30 V HA 0.048 4.168 4.120 0.000 0.000 0.266 30 V C -1.593 174.561 176.094 0.100 0.000 1.900 30 V CA -0.473 61.878 62.300 0.084 0.000 0.937 30 V CB 1.571 33.451 31.823 0.095 0.000 1.366 30 V HN 0.194 nan 8.190 nan 0.000 0.442 31 V N 2.530 122.531 119.914 0.145 0.000 2.432 31 V HA 0.469 4.589 4.120 0.000 0.000 0.271 31 V C 0.506 176.723 176.094 0.205 0.000 1.046 31 V CA 0.102 62.534 62.300 0.220 0.000 0.945 31 V CB 1.011 33.065 31.823 0.385 0.000 0.992 31 V HN 0.980 nan 8.190 nan 0.000 0.471 32 N N 6.678 125.492 118.700 0.189 0.000 2.454 32 N HA 0.185 4.925 4.740 0.000 0.000 0.285 32 N C -0.423 175.215 175.510 0.214 0.000 1.233 32 N CA 0.119 53.272 53.050 0.172 0.000 1.036 32 N CB -0.250 38.335 38.487 0.163 0.000 1.423 32 N HN 0.717 nan 8.380 nan 0.000 0.495 33 I N 1.662 122.343 120.570 0.185 0.000 2.428 33 I HA 0.494 4.664 4.170 0.000 0.000 0.296 33 I C 0.125 176.332 176.117 0.149 0.000 0.985 33 I CA -1.000 60.424 61.300 0.206 0.000 1.260 33 I CB 1.604 39.654 38.000 0.084 0.000 1.389 33 I HN 0.407 nan 8.210 nan 0.000 0.484 34 A N 7.123 130.027 122.820 0.139 0.000 2.374 34 A HA 0.740 5.061 4.320 0.000 0.000 0.305 34 A C -1.227 176.247 177.584 -0.184 0.000 1.053 34 A CA -0.492 51.557 52.037 0.021 0.000 0.726 34 A CB 1.615 20.646 19.000 0.051 0.000 1.229 34 A HN 0.729 nan 8.150 nan 0.000 0.431 35 L N 1.966 123.039 121.223 -0.250 0.000 2.334 35 L HA 0.824 5.164 4.340 0.000 0.000 0.276 35 L C -0.158 176.581 176.870 -0.219 0.000 1.014 35 L CA -0.312 54.235 54.840 -0.487 0.000 0.815 35 L CB 2.032 43.858 42.059 -0.389 0.000 1.268 35 L HN 0.644 nan 8.230 nan 0.000 0.428 36 S N 4.897 120.476 115.700 -0.202 0.000 2.605 36 S HA 0.597 5.067 4.470 0.000 0.000 0.308 36 S C -0.967 173.615 174.600 -0.031 0.000 1.113 36 S CA -0.673 57.497 58.200 -0.050 0.000 1.049 36 S CB 0.811 63.992 63.200 -0.031 0.000 1.001 36 S HN 0.573 nan 8.310 nan 0.000 0.480 37 L N 4.479 125.739 121.223 0.061 0.000 2.287 37 L HA 0.537 4.877 4.340 0.000 0.000 0.287 37 L C -0.360 176.615 176.870 0.176 0.000 1.022 37 L CA -0.411 54.438 54.840 0.016 0.000 0.814 37 L CB 1.866 43.756 42.059 -0.281 0.000 1.217 37 L HN 0.591 nan 8.230 nan 0.000 0.420 38 T N 4.095 118.766 114.554 0.195 0.000 2.965 38 T HA 0.414 4.764 4.350 0.000 0.000 0.306 38 T C -0.388 174.370 174.700 0.097 0.000 0.991 38 T CA -0.551 61.709 62.100 0.266 0.000 1.001 38 T CB 1.245 70.444 68.868 0.553 0.000 0.984 38 T HN 0.097 nan 8.240 nan 0.000 0.446 39 L N 2.561 123.804 121.223 0.034 0.000 2.410 39 L HA 0.353 4.693 4.340 0.000 0.000 0.273 39 L C 1.596 178.224 176.870 -0.402 0.000 1.152 39 L CA 0.366 55.163 54.840 -0.071 0.000 0.855 39 L CB 1.137 43.248 42.059 0.085 0.000 1.129 39 L HN 0.674 nan 8.230 nan 0.000 0.463 40 S N 2.778 118.070 115.700 -0.681 0.000 2.503 40 S HA 0.241 4.711 4.470 0.000 0.000 0.215 40 S C 0.430 174.781 174.600 -0.415 0.000 1.003 40 S CA 0.102 57.723 58.200 -0.964 0.000 0.910 40 S CB -0.120 62.260 63.200 -1.367 0.000 0.790 40 S HN 0.820 nan 8.310 nan 0.000 0.514 41 N N -0.670 117.871 118.700 -0.266 0.000 4.107 41 N HA 0.218 4.958 4.740 0.000 0.000 0.213 41 N C -2.391 173.060 175.510 -0.098 0.000 1.216 41 N CA -0.504 52.452 53.050 -0.158 0.000 0.925 41 N CB 0.808 39.199 38.487 -0.160 0.000 1.541 41 N HN 0.172 nan 8.380 nan 0.000 0.524 42 L N 3.849 125.057 121.223 -0.025 0.000 2.345 42 L HA 0.482 4.823 4.340 0.000 0.000 0.274 42 L C -0.278 176.632 176.870 0.066 0.000 0.999 42 L CA -0.431 54.463 54.840 0.091 0.000 0.849 42 L CB 0.917 43.193 42.059 0.360 0.000 1.220 42 L HN 0.644 nan 8.230 nan 0.000 0.422 43 I N 2.251 122.832 120.570 0.018 0.000 2.867 43 I HA 0.198 4.368 4.170 0.000 0.000 0.265 43 I C 0.828 177.000 176.117 0.091 0.000 1.162 43 I CA 0.565 61.877 61.300 0.021 0.000 1.471 43 I CB 0.041 38.023 38.000 -0.030 0.000 1.123 43 I HN 0.466 nan 8.210 nan 0.000 0.440 44 S N 0.451 116.214 115.700 0.106 0.000 2.540 44 S HA 0.645 5.115 4.470 0.000 0.000 0.275 44 S C -1.389 173.248 174.600 0.062 0.000 1.123 44 S CA -0.643 57.622 58.200 0.108 0.000 0.907 44 S CB 1.054 64.279 63.200 0.042 0.000 1.081 44 S HN 0.110 nan 8.310 nan 0.000 0.476 45 L N 3.405 124.631 121.223 0.006 0.000 2.346 45 L HA 0.712 5.052 4.340 0.000 0.000 0.276 45 L C -1.217 175.587 176.870 -0.110 0.000 1.006 45 L CA -0.712 53.996 54.840 -0.220 0.000 0.817 45 L CB 1.743 43.371 42.059 -0.718 0.000 1.272 45 L HN 0.664 nan 8.230 nan 0.000 0.421 46 K N 2.886 123.218 120.400 -0.113 0.000 2.664 46 K HA 0.175 4.495 4.320 0.000 0.000 0.234 46 K C 0.392 176.939 176.600 -0.089 0.000 0.980 46 K CA -0.220 56.025 56.287 -0.069 0.000 0.996 46 K CB 1.310 33.775 32.500 -0.058 0.000 1.190 46 K HN 0.626 nan 8.250 nan 0.000 0.479 47 E N 1.466 121.642 120.200 -0.040 0.000 2.072 47 E HA -0.147 4.203 4.350 0.000 0.000 0.191 47 E C 0.561 177.111 176.600 -0.083 0.000 0.985 47 E CA 1.856 58.249 56.400 -0.013 0.000 0.801 47 E CB 0.327 30.087 29.700 0.100 0.000 0.750 47 E HN 0.653 nan 8.360 nan 0.000 0.452 48 T N 1.672 116.185 114.554 -0.069 0.000 2.622 48 T HA -0.184 4.166 4.350 0.000 0.000 0.266 48 T C 1.209 175.846 174.700 -0.105 0.000 1.047 48 T CA 1.776 63.822 62.100 -0.089 0.000 1.159 48 T CB -0.382 68.446 68.868 -0.067 0.000 0.863 48 T HN 0.477 nan 8.240 nan 0.000 0.422 49 D N 1.446 121.788 120.400 -0.096 0.000 2.342 49 D HA 0.004 4.645 4.640 0.000 0.000 0.221 49 D C -0.181 176.042 176.300 -0.128 0.000 1.101 49 D CA 0.093 54.032 54.000 -0.101 0.000 0.837 49 D CB -0.446 40.309 40.800 -0.075 0.000 0.938 49 D HN 0.652 nan 8.370 nan 0.000 0.508 50 E N -0.277 119.816 120.200 -0.178 0.000 2.320 50 E HA -0.149 4.201 4.350 0.000 0.000 0.234 50 E C -0.890 175.608 176.600 -0.170 0.000 1.183 50 E CA 0.419 56.675 56.400 -0.240 0.000 0.713 50 E CB -2.636 26.920 29.700 -0.239 0.000 1.226 50 E HN 0.183 nan 8.360 nan 0.000 0.382 51 T N 1.610 116.085 114.554 -0.133 0.000 2.881 51 T HA 0.602 4.952 4.350 0.000 0.000 0.290 51 T C -0.628 174.034 174.700 -0.063 0.000 1.000 51 T CA -0.867 61.186 62.100 -0.078 0.000 0.978 51 T CB 1.362 70.197 68.868 -0.055 0.000 0.997 51 T HN 0.210 nan 8.240 nan 0.000 0.443 52 L N 2.274 123.490 121.223 -0.012 0.000 2.436 52 L HA 0.582 4.922 4.340 0.000 0.000 0.268 52 L C -0.155 176.742 176.870 0.045 0.000 0.974 52 L CA -0.795 54.054 54.840 0.014 0.000 0.826 52 L CB 1.138 43.226 42.059 0.049 0.000 1.291 52 L HN 0.554 nan 8.230 nan 0.000 0.406 53 T N 2.167 116.712 114.554 -0.015 0.000 2.753 53 T HA 0.696 5.047 4.350 0.000 0.000 0.297 53 T C 0.162 174.709 174.700 -0.255 0.000 0.981 53 T CA -0.296 61.735 62.100 -0.114 0.000 0.956 53 T CB 1.050 69.873 68.868 -0.075 0.000 0.936 53 T HN 0.756 nan 8.240 nan 0.000 0.463 54 T N 1.548 115.664 114.554 -0.731 0.000 2.900 54 T HA 0.493 4.843 4.350 0.000 0.000 0.303 54 T C -0.627 173.246 174.700 -1.378 0.000 1.142 54 T CA -1.009 60.607 62.100 -0.806 0.000 1.007 54 T CB 1.588 70.285 68.868 -0.286 0.000 1.156 54 T HN 0.443 nan 8.240 nan 0.000 0.490 55 N N 0.437 118.797 118.700 -0.567 0.000 2.456 55 N HA 0.647 5.387 4.740 0.000 0.000 0.288 55 N C -0.772 174.699 175.510 -0.066 0.000 1.059 55 N CA -0.705 52.151 53.050 -0.324 0.000 0.946 55 N CB 0.996 39.327 38.487 -0.259 0.000 1.150 55 N HN 0.669 nan 8.380 nan 0.000 0.479 56 V N -0.190 119.823 119.914 0.164 0.000 2.925 56 V HA 0.581 4.701 4.120 0.000 0.000 0.311 56 V C -1.111 175.024 176.094 0.069 0.000 1.104 56 V CA -0.981 61.403 62.300 0.140 0.000 0.954 56 V CB 1.483 33.536 31.823 0.384 0.000 1.022 56 V HN 0.617 nan 8.190 nan 0.000 0.427 57 W N 4.563 125.920 121.300 0.095 0.000 2.357 57 W HA 0.414 5.075 4.660 0.000 0.000 0.317 57 W C 0.625 177.140 176.519 -0.006 0.000 1.101 57 W CA -1.174 56.190 57.345 0.032 0.000 1.380 57 W CB 1.448 30.920 29.460 0.020 0.000 1.266 57 W HN 0.811 nan 8.180 nan 0.000 0.419 58 M N 3.630 123.320 119.600 0.149 0.000 3.700 58 M HA 0.023 4.503 4.480 0.000 0.000 0.190 58 M C -0.368 175.905 176.300 -0.045 0.000 1.422 58 M CA 0.149 55.457 55.300 0.013 0.000 1.646 58 M CB -0.736 31.791 32.600 -0.122 0.000 1.154 58 M HN 0.085 nan 8.290 nan 0.000 0.506 59 D N 2.453 122.853 120.400 -0.000 0.000 2.479 59 D HA -0.015 4.625 4.640 0.000 0.000 0.257 59 D C -0.486 175.740 176.300 -0.124 0.000 1.230 59 D CA 1.017 54.991 54.000 -0.043 0.000 0.912 59 D CB 0.174 40.960 40.800 -0.024 0.000 1.130 59 D HN 0.415 nan 8.370 nan 0.000 0.515 60 H N 0.943 119.996 119.070 -0.028 0.000 2.572 60 H HA 0.697 5.253 4.556 0.000 0.000 0.359 60 H C -0.856 174.612 175.328 0.234 0.000 1.134 60 H CA -0.860 55.283 56.048 0.157 0.000 1.187 60 H CB 1.983 31.880 29.762 0.225 0.000 1.597 60 H HN 0.403 nan 8.280 nan 0.000 0.524 61 A N 3.431 126.447 122.820 0.327 0.000 2.455 61 A HA 0.615 4.935 4.320 0.000 0.000 0.300 61 A C -1.935 175.934 177.584 0.474 0.000 1.040 61 A CA -0.701 51.449 52.037 0.189 0.000 0.697 61 A CB 1.365 20.433 19.000 0.113 0.000 1.265 61 A HN 0.747 nan 8.150 nan 0.000 0.407 62 W N 0.275 121.658 121.300 0.139 0.000 3.464 62 W HA 0.542 5.202 4.660 0.000 0.000 0.292 62 W C -1.764 174.730 176.519 -0.042 0.000 1.262 62 W CA -0.966 56.413 57.345 0.057 0.000 1.202 62 W CB 0.571 30.031 29.460 -0.000 0.000 1.334 62 W HN 0.792 nan 8.180 nan 0.000 0.561 63 Y N 3.773 123.859 120.300 -0.356 0.000 2.350 63 Y HA 0.178 4.728 4.550 0.000 0.000 0.340 63 Y C 0.121 176.025 175.900 0.007 0.000 1.006 63 Y CA -0.506 57.197 58.100 -0.661 0.000 1.166 63 Y CB 0.904 38.603 38.460 -1.267 0.000 1.168 63 Y HN 0.529 nan 8.280 nan 0.000 0.502 64 D N 6.531 127.216 120.400 0.475 0.000 2.494 64 D HA 0.047 4.687 4.640 0.000 0.000 0.217 64 D C 0.787 177.292 176.300 0.342 0.000 1.153 64 D CA -0.029 54.203 54.000 0.386 0.000 0.954 64 D CB 0.150 41.034 40.800 0.140 0.000 1.034 64 D HN 0.854 nan 8.370 nan 0.000 0.518 65 H N 1.636 120.605 119.070 -0.169 0.000 2.457 65 H HA -0.067 4.489 4.556 0.000 0.000 0.297 65 H C 1.244 176.499 175.328 -0.122 0.000 1.092 65 H CA 0.374 56.251 56.048 -0.285 0.000 1.309 65 H CB 0.596 30.110 29.762 -0.414 0.000 1.382 65 H HN 0.128 nan 8.280 nan 0.000 0.535 66 R N 0.886 121.386 120.500 -0.000 0.000 2.275 66 R HA 0.016 4.356 4.340 0.000 0.000 0.199 66 R C 2.137 178.310 176.300 -0.212 0.000 0.989 66 R CA 0.040 56.095 56.100 -0.077 0.000 1.016 66 R CB -0.175 30.110 30.300 -0.025 0.000 0.918 66 R HN 0.340 nan 8.270 nan 0.000 0.473 67 L N 1.324 122.402 121.223 -0.241 0.000 2.313 67 L HA 0.059 4.399 4.340 0.000 0.000 0.214 67 L C -0.151 176.353 176.870 -0.610 0.000 1.119 67 L CA 1.044 55.593 54.840 -0.486 0.000 0.809 67 L CB -0.698 41.190 42.059 -0.284 0.000 0.933 67 L HN -0.053 nan 8.230 nan 0.000 0.449 68 T N 1.414 115.841 114.554 -0.211 0.000 2.908 68 T HA -0.007 4.343 4.350 0.000 0.000 0.301 68 T C -0.342 174.244 174.700 -0.191 0.000 1.019 68 T CA 0.227 62.252 62.100 -0.125 0.000 1.152 68 T CB -0.061 68.793 68.868 -0.023 0.000 0.966 68 T HN 0.307 nan 8.240 nan 0.000 0.540 69 W N 2.387 123.632 121.300 -0.090 0.000 2.767 69 W HA 0.578 5.238 4.660 0.000 0.000 0.375 69 W C 0.667 177.150 176.519 -0.061 0.000 1.461 69 W CA -1.042 56.292 57.345 -0.018 0.000 1.415 69 W CB 0.406 29.916 29.460 0.083 0.000 1.581 69 W HN 0.404 nan 8.180 nan 0.000 0.672 70 N N -0.741 118.158 118.700 0.332 0.000 3.061 70 N HA 0.436 5.176 4.740 0.000 0.000 0.346 70 N C 1.031 176.732 175.510 0.319 0.000 1.392 70 N CA -0.021 53.178 53.050 0.248 0.000 0.762 70 N CB 0.265 38.847 38.487 0.159 0.000 1.367 70 N HN 0.419 nan 8.380 nan 0.000 0.607 71 A N 0.762 123.720 122.820 0.229 0.000 1.881 71 A HA -0.203 4.117 4.320 0.000 0.000 0.219 71 A C 1.606 179.246 177.584 0.093 0.000 1.215 71 A CA 2.825 54.951 52.037 0.148 0.000 0.648 71 A CB -1.247 17.809 19.000 0.093 0.000 0.832 71 A HN 0.669 nan 8.150 nan 0.000 0.455 72 S N -1.034 114.721 115.700 0.093 0.000 2.906 72 S HA 0.254 4.724 4.470 0.000 0.000 0.234 72 S C 0.561 175.195 174.600 0.058 0.000 0.973 72 S CA 0.695 58.929 58.200 0.057 0.000 1.036 72 S CB -0.233 63.003 63.200 0.061 0.000 0.798 72 S HN 0.695 nan 8.310 nan 0.000 0.498 73 E N -0.875 119.362 120.200 0.062 0.000 3.575 73 E HA 0.048 4.398 4.350 0.000 0.000 0.263 73 E C 0.961 177.380 176.600 -0.302 0.000 1.230 73 E CA -0.037 56.331 56.400 -0.053 0.000 1.875 73 E CB -0.478 29.509 29.700 0.478 0.000 1.961 73 E HN 0.327 nan 8.360 nan 0.000 0.904 74 Y N 2.985 123.213 120.300 -0.121 0.000 2.062 74 Y HA -0.208 4.342 4.550 0.000 0.000 0.272 74 Y C 2.588 178.404 175.900 -0.140 0.000 1.117 74 Y CA 2.552 60.586 58.100 -0.110 0.000 1.095 74 Y CB -0.641 37.890 38.460 0.118 0.000 0.985 74 Y HN 0.097 nan 8.280 nan 0.000 0.479 75 S N -0.892 114.732 115.700 -0.127 0.000 2.461 75 S HA -0.117 4.353 4.470 0.000 0.000 0.228 75 S C 1.785 176.272 174.600 -0.188 0.000 1.005 75 S CA 1.090 59.089 58.200 -0.335 0.000 0.942 75 S CB -0.698 62.353 63.200 -0.248 0.000 0.776 75 S HN 0.611 nan 8.310 nan 0.000 0.514 76 D N 1.967 122.297 120.400 -0.117 0.000 2.133 76 D HA -0.102 4.538 4.640 0.000 0.000 0.195 76 D C 0.772 176.982 176.300 -0.150 0.000 0.997 76 D CA 1.736 55.672 54.000 -0.108 0.000 0.840 76 D CB -0.118 40.630 40.800 -0.087 0.000 0.947 76 D HN 0.769 nan 8.370 nan 0.000 0.452 77 I N -2.648 117.798 120.570 -0.206 0.000 2.608 77 I HA 0.231 4.401 4.170 0.000 0.000 0.280 77 I C 0.302 176.262 176.117 -0.262 0.000 1.186 77 I CA -0.643 60.527 61.300 -0.217 0.000 1.081 77 I CB 1.346 39.222 38.000 -0.206 0.000 1.272 77 I HN -0.146 nan 8.210 nan 0.000 0.460 78 S N 4.766 120.325 115.700 -0.235 0.000 2.776 78 S HA 0.206 4.676 4.470 0.000 0.000 0.242 78 S C 0.218 174.733 174.600 -0.141 0.000 0.977 78 S CA 0.496 58.571 58.200 -0.209 0.000 0.985 78 S CB -0.926 62.141 63.200 -0.222 0.000 0.782 78 S HN 0.627 nan 8.310 nan 0.000 0.542 79 I N 0.070 120.534 120.570 -0.176 0.000 2.735 79 I HA 0.535 4.705 4.170 0.000 0.000 0.287 79 I C -0.908 175.112 176.117 -0.161 0.000 1.452 79 I CA -0.364 60.858 61.300 -0.129 0.000 1.061 79 I CB 1.993 39.939 38.000 -0.089 0.000 1.383 79 I HN 0.202 nan 8.210 nan 0.000 0.425 80 L N 5.474 126.614 121.223 -0.139 0.000 2.600 80 L HA 0.725 5.065 4.340 0.000 0.000 0.257 80 L C -1.321 175.544 176.870 -0.009 0.000 1.048 80 L CA -0.498 54.268 54.840 -0.123 0.000 0.869 80 L CB 1.806 43.703 42.059 -0.269 0.000 1.482 80 L HN 0.405 nan 8.230 nan 0.000 0.408 81 R N 1.654 122.162 120.500 0.013 0.000 2.573 81 R HA 0.820 5.160 4.340 0.000 0.000 0.272 81 R C -1.567 174.796 176.300 0.104 0.000 1.009 81 R CA -0.814 55.321 56.100 0.058 0.000 1.059 81 R CB 1.298 31.620 30.300 0.036 0.000 1.112 81 R HN 0.568 nan 8.270 nan 0.000 0.517 82 L N 1.475 122.763 121.223 0.108 0.000 2.676 82 L HA 0.286 4.626 4.340 0.000 0.000 0.262 82 L C -0.565 176.353 176.870 0.080 0.000 0.932 82 L CA -0.511 54.401 54.840 0.120 0.000 0.932 82 L CB 1.307 43.471 42.059 0.175 0.000 1.355 82 L HN 0.425 nan 8.230 nan 0.000 0.421 83 R N 4.614 125.148 120.500 0.058 0.000 2.973 83 R HA 0.113 4.453 4.340 0.000 0.000 0.277 83 R C -1.645 174.657 176.300 0.003 0.000 1.000 83 R CA -0.932 55.179 56.100 0.017 0.000 1.175 83 R CB -0.324 29.989 30.300 0.022 0.000 1.113 83 R HN 0.479 nan 8.270 nan 0.000 0.495 84 P HA -0.111 nan 4.420 nan 0.000 0.217 84 P C 0.063 177.375 177.300 0.020 0.000 1.150 84 P CA 1.393 64.422 63.100 -0.117 0.000 0.832 84 P CB 0.234 31.839 31.700 -0.158 0.000 0.787 85 E N -0.316 119.928 120.200 0.073 0.000 2.478 85 E HA 0.021 4.371 4.350 0.000 0.000 0.198 85 E C 1.558 178.246 176.600 0.147 0.000 1.046 85 E CA 0.595 57.062 56.400 0.113 0.000 0.870 85 E CB -0.645 29.120 29.700 0.108 0.000 0.818 85 E HN 0.332 nan 8.360 nan 0.000 0.527 86 L N 0.273 121.586 121.223 0.150 0.000 3.069 86 L HA 0.358 4.698 4.340 0.000 0.000 0.271 86 L C -0.159 176.838 176.870 0.212 0.000 1.201 86 L CA -0.112 54.846 54.840 0.198 0.000 1.015 86 L CB 0.619 42.766 42.059 0.146 0.000 1.371 86 L HN 0.033 nan 8.230 nan 0.000 0.574 87 I N -0.862 119.838 120.570 0.216 0.000 2.569 87 I HA 0.179 4.349 4.170 0.000 0.000 0.290 87 I C -1.018 175.332 176.117 0.389 0.000 1.088 87 I CA -0.644 60.801 61.300 0.241 0.000 1.047 87 I CB 2.215 40.322 38.000 0.178 0.000 1.237 87 I HN 0.047 nan 8.210 nan 0.000 0.421 88 W N 8.663 130.147 121.300 0.306 0.000 2.251 88 W HA 0.390 5.050 4.660 0.000 0.000 0.327 88 W C -0.558 176.060 176.519 0.164 0.000 1.361 88 W CA -0.717 56.782 57.345 0.257 0.000 1.234 88 W CB 0.254 29.864 29.460 0.251 0.000 1.212 88 W HN 0.310 nan 8.180 nan 0.000 0.557 89 I N 6.486 126.946 120.570 -0.184 0.000 2.436 89 I HA 0.494 4.664 4.170 0.000 0.000 0.289 89 I C -2.352 173.385 176.117 -0.634 0.000 1.010 89 I CA -2.882 58.101 61.300 -0.528 0.000 1.098 89 I CB 1.796 39.295 38.000 -0.835 0.000 1.266 89 I HN 0.160 nan 8.210 nan 0.000 0.434 90 P HA 0.064 nan 4.420 nan 0.000 0.269 90 P C -0.751 176.472 177.300 -0.128 0.000 1.209 90 P CA 0.030 62.707 63.100 -0.705 0.000 0.776 90 P CB 0.486 31.636 31.700 -0.916 0.000 0.876 91 D N 3.460 123.907 120.400 0.078 0.000 2.994 91 D HA 0.095 4.735 4.640 0.000 0.000 0.240 91 D C 0.549 176.914 176.300 0.110 0.000 1.195 91 D CA -0.107 53.997 54.000 0.172 0.000 0.957 91 D CB -0.418 40.502 40.800 0.200 0.000 1.105 91 D HN 0.384 nan 8.370 nan 0.000 0.477 92 I N -1.409 119.175 120.570 0.023 0.000 2.662 92 I HA 0.078 4.248 4.170 0.000 0.000 0.285 92 I C 0.218 176.394 176.117 0.098 0.000 1.161 92 I CA -0.377 60.933 61.300 0.016 0.000 1.415 92 I CB 0.548 38.503 38.000 -0.075 0.000 1.385 92 I HN -0.157 nan 8.210 nan 0.000 0.552 93 V N 8.054 127.981 119.914 0.021 0.000 2.513 93 V HA 0.395 4.515 4.120 0.000 0.000 0.299 93 V C 0.134 176.119 176.094 -0.182 0.000 1.035 93 V CA -0.814 61.455 62.300 -0.052 0.000 0.889 93 V CB 1.880 33.655 31.823 -0.080 0.000 0.988 93 V HN 0.631 nan 8.190 nan 0.000 0.440 94 L N 6.801 127.849 121.223 -0.291 0.000 2.356 94 L HA 0.325 4.665 4.340 0.000 0.000 0.282 94 L C 1.476 178.125 176.870 -0.367 0.000 1.132 94 L CA -0.011 54.479 54.840 -0.584 0.000 0.923 94 L CB 0.291 41.937 42.059 -0.688 0.000 1.278 94 L HN 0.810 nan 8.230 nan 0.000 0.436 95 Q N 2.237 121.868 119.800 -0.282 0.000 2.124 95 Q HA -0.275 4.065 4.340 0.000 0.000 0.215 95 Q C 1.609 177.535 176.000 -0.123 0.000 1.015 95 Q CA 2.579 58.290 55.803 -0.154 0.000 0.890 95 Q CB -0.022 28.677 28.738 -0.065 0.000 0.966 95 Q HN 0.850 nan 8.270 nan 0.000 0.412 96 N N -2.181 116.442 118.700 -0.130 0.000 2.171 96 N HA -0.004 4.736 4.740 0.000 0.000 0.212 96 N C 0.094 175.537 175.510 -0.112 0.000 1.184 96 N CA 0.053 53.051 53.050 -0.088 0.000 0.888 96 N CB 0.545 39.011 38.487 -0.036 0.000 1.038 96 N HN 0.133 nan 8.380 nan 0.000 0.517 97 N N 0.809 119.395 118.700 -0.190 0.000 2.238 97 N HA 0.022 4.762 4.740 0.000 0.000 0.235 97 N C -0.220 175.180 175.510 -0.184 0.000 1.209 97 N CA -0.076 52.871 53.050 -0.171 0.000 0.879 97 N CB 0.361 38.735 38.487 -0.189 0.000 1.136 97 N HN 0.209 nan 8.380 nan 0.000 0.517 98 N N 1.207 119.794 118.700 -0.188 0.000 2.279 98 N HA -0.028 4.712 4.740 0.000 0.000 0.226 98 N C -0.288 175.167 175.510 -0.092 0.000 1.126 98 N CA -0.079 52.882 53.050 -0.148 0.000 0.846 98 N CB 0.051 38.432 38.487 -0.177 0.000 1.050 98 N HN -0.031 nan 8.380 nan 0.000 0.502 99 D N -0.024 120.333 120.400 -0.071 0.000 2.885 99 D HA 0.300 4.940 4.640 0.000 0.000 0.234 99 D C -0.296 175.986 176.300 -0.030 0.000 1.129 99 D CA 0.112 54.080 54.000 -0.054 0.000 0.991 99 D CB -0.689 40.081 40.800 -0.049 0.000 1.137 99 D HN 0.313 nan 8.370 nan 0.000 0.459 100 G N 1.743 110.525 108.800 -0.029 0.000 2.213 100 G HA2 -0.022 3.938 3.960 0.000 0.000 0.249 100 G HA3 -0.022 3.938 3.960 0.000 0.000 0.249 100 G C -0.629 174.272 174.900 0.002 0.000 2.618 100 G CA -0.987 44.113 45.100 0.000 0.000 0.788 100 G HN 0.273 nan 8.290 nan 0.000 0.498 101 Q N 1.081 120.855 119.800 -0.043 0.000 2.354 101 Q HA 0.128 4.468 4.340 0.000 0.000 0.310 101 Q C 0.511 176.527 176.000 0.026 0.000 1.104 101 Q CA -0.148 55.584 55.803 -0.118 0.000 0.968 101 Q CB 0.432 29.068 28.738 -0.169 0.000 1.251 101 Q HN 0.808 nan 8.270 nan 0.000 0.411 102 Y N 1.654 122.010 120.300 0.094 0.000 2.511 102 Y HA 0.241 4.791 4.550 0.000 0.000 0.332 102 Y C -0.659 175.290 175.900 0.082 0.000 1.177 102 Y CA -1.044 57.117 58.100 0.100 0.000 1.422 102 Y CB 0.246 38.758 38.460 0.086 0.000 1.271 102 Y HN 0.553 nan 8.280 nan 0.000 0.550 103 N N 2.477 121.323 118.700 0.243 0.000 2.258 103 N HA 0.431 5.171 4.740 0.000 0.000 0.299 103 N C -0.668 174.583 175.510 -0.431 0.000 1.047 103 N CA -0.547 52.459 53.050 -0.074 0.000 0.814 103 N CB 1.878 40.409 38.487 0.074 0.000 1.413 103 N HN 0.835 nan 8.380 nan 0.000 0.478 104 V N 0.361 119.444 119.914 -1.385 0.000 5.175 104 V HA -0.279 3.841 4.120 0.000 0.000 0.279 104 V C 0.417 176.271 176.094 -0.400 0.000 0.571 104 V CA 1.387 63.095 62.300 -0.987 0.000 0.694 104 V CB -2.863 28.821 31.823 -0.232 0.000 0.525 104 V HN 0.768 nan 8.190 nan 0.000 1.093 105 A N -0.462 122.072 122.820 -0.476 0.000 2.624 105 A HA 0.647 4.967 4.320 0.000 0.000 0.287 105 A C 0.115 177.588 177.584 -0.184 0.000 1.087 105 A CA 0.180 52.096 52.037 -0.201 0.000 0.964 105 A CB 0.428 19.311 19.000 -0.195 0.000 1.231 105 A HN 1.480 nan 8.150 nan 0.000 0.551 106 Y N -2.849 117.491 120.300 0.067 0.000 2.409 106 Y HA 0.515 5.065 4.550 0.000 0.000 0.339 106 Y C 0.488 176.771 175.900 0.638 0.000 1.033 106 Y CA -1.680 56.566 58.100 0.244 0.000 1.094 106 Y CB 0.422 39.171 38.460 0.480 0.000 1.210 106 Y HN 0.519 nan 8.280 nan 0.000 0.456 107 F N 0.918 121.019 119.950 0.252 0.000 2.600 107 F HA -0.298 4.229 4.527 0.000 0.000 0.183 107 F C -0.562 175.285 175.800 0.078 0.000 1.068 107 F CA -0.241 57.769 58.000 0.016 0.000 0.810 107 F CB -1.541 37.459 39.000 -0.000 0.000 0.643 107 F HN 0.674 nan 8.300 nan 0.000 0.838 108 C N 2.809 122.056 119.300 -0.088 0.000 2.401 108 C HA 0.460 4.921 4.460 0.000 0.000 0.356 108 C C 0.892 175.842 174.990 -0.066 0.000 1.192 108 C CA -0.907 58.065 59.018 -0.076 0.000 2.028 108 C CB 1.151 29.021 27.740 0.217 0.000 2.344 108 C HN 0.851 nan 8.230 nan 0.000 0.525 109 N N 1.868 120.560 118.700 -0.013 0.000 2.292 109 N HA 0.060 4.800 4.740 0.000 0.000 0.258 109 N C -0.600 174.984 175.510 0.123 0.000 1.261 109 N CA 0.712 53.779 53.050 0.029 0.000 0.845 109 N CB 0.521 39.032 38.487 0.040 0.000 1.064 109 N HN 0.528 nan 8.380 nan 0.000 0.471 110 V N 2.912 122.885 119.914 0.098 0.000 3.103 110 V HA 0.446 4.566 4.120 0.000 0.000 0.318 110 V C -0.080 176.086 176.094 0.120 0.000 1.114 110 V CA -1.083 61.326 62.300 0.181 0.000 1.020 110 V CB 1.747 33.669 31.823 0.166 0.000 1.085 110 V HN 0.580 nan 8.190 nan 0.000 0.446 111 L N 2.358 123.643 121.223 0.103 0.000 2.287 111 L HA 0.571 4.911 4.340 0.000 0.000 0.287 111 L C -0.393 176.499 176.870 0.037 0.000 1.022 111 L CA -0.031 54.841 54.840 0.053 0.000 0.814 111 L CB 1.488 43.561 42.059 0.024 0.000 1.217 111 L HN 0.433 nan 8.230 nan 0.000 0.420 112 V N 6.532 126.495 119.914 0.080 0.000 2.356 112 V HA 0.408 4.529 4.120 0.000 0.000 0.258 112 V C 0.862 177.044 176.094 0.147 0.000 1.065 112 V CA -0.545 61.851 62.300 0.160 0.000 0.935 112 V CB -0.216 31.789 31.823 0.303 0.000 1.061 112 V HN 0.743 nan 8.190 nan 0.000 0.484 113 R N 6.472 127.042 120.500 0.116 0.000 2.652 113 R HA 0.254 4.594 4.340 0.000 0.000 0.272 113 R C -1.261 175.191 176.300 0.253 0.000 1.162 113 R CA -1.298 54.862 56.100 0.100 0.000 1.199 113 R CB 0.243 30.570 30.300 0.044 0.000 1.166 113 R HN 0.381 nan 8.270 nan 0.000 0.597 114 P HA -0.078 nan 4.420 nan 0.000 0.220 114 P C -0.463 177.090 177.300 0.422 0.000 1.154 114 P CA 1.245 64.613 63.100 0.448 0.000 0.830 114 P CB -0.042 31.965 31.700 0.511 0.000 0.803 115 N N -0.628 118.148 118.700 0.127 0.000 3.170 115 N HA 0.351 5.091 4.740 0.000 0.000 0.305 115 N C 0.997 176.263 175.510 -0.406 0.000 1.499 115 N CA -0.138 52.849 53.050 -0.105 0.000 1.110 115 N CB -0.133 38.275 38.487 -0.132 0.000 1.390 115 N HN 0.008 nan 8.380 nan 0.000 0.508 116 G N 0.705 109.456 108.800 -0.083 0.000 2.623 116 G HA2 -0.414 3.546 3.960 0.000 0.000 0.241 116 G HA3 -0.414 3.546 3.960 0.000 0.000 0.241 116 G C 0.005 174.825 174.900 -0.132 0.000 1.114 116 G CA 0.290 45.412 45.100 0.036 0.000 0.682 116 G HN 0.567 nan 8.290 nan 0.000 0.524 117 Y N 1.002 120.954 120.300 -0.579 0.000 2.805 117 Y HA 0.326 4.876 4.550 0.000 0.000 0.331 117 Y C 1.046 176.794 175.900 -0.253 0.000 1.241 117 Y CA 0.755 58.646 58.100 -0.349 0.000 1.546 117 Y CB 0.644 38.885 38.460 -0.364 0.000 1.248 117 Y HN 0.207 nan 8.280 nan 0.000 0.559 118 V N 2.626 122.345 119.914 -0.325 0.000 3.046 118 V HA 0.583 4.703 4.120 0.000 0.000 0.316 118 V C -0.494 175.262 176.094 -0.564 0.000 1.104 118 V CA -0.901 61.147 62.300 -0.422 0.000 1.006 118 V CB 2.596 34.150 31.823 -0.448 0.000 1.058 118 V HN 0.755 nan 8.190 nan 0.000 0.440 119 T N -0.350 114.005 114.554 -0.331 0.000 2.985 119 T HA 0.474 4.824 4.350 0.000 0.000 0.315 119 T C -1.464 173.269 174.700 0.055 0.000 1.001 119 T CA -0.341 61.652 62.100 -0.178 0.000 1.016 119 T CB 0.771 69.594 68.868 -0.075 0.000 0.993 119 T HN 0.741 nan 8.240 nan 0.000 0.454 120 W N 6.978 128.267 121.300 -0.019 0.000 2.538 120 W HA 0.672 5.333 4.660 0.000 0.000 0.322 120 W C -1.442 175.203 176.519 0.210 0.000 1.028 120 W CA -2.232 55.213 57.345 0.167 0.000 1.228 120 W CB 1.192 30.872 29.460 0.368 0.000 1.356 120 W HN 0.801 nan 8.180 nan 0.000 0.452 121 L N 6.376 127.596 121.223 -0.005 0.000 2.527 121 L HA 0.570 4.910 4.340 0.000 0.000 0.261 121 L C -2.736 174.127 176.870 -0.012 0.000 1.534 121 L CA -1.377 53.396 54.840 -0.112 0.000 0.757 121 L CB 0.660 42.700 42.059 -0.033 0.000 0.999 121 L HN 0.061 nan 8.230 nan 0.000 0.517 122 P HA 0.493 nan 4.420 nan 0.000 0.284 122 P C -2.755 174.618 177.300 0.123 0.000 1.287 122 P CA -1.937 61.234 63.100 0.118 0.000 0.824 122 P CB 0.576 32.396 31.700 0.201 0.000 1.180 123 P HA 0.108 nan 4.420 nan 0.000 0.264 123 P C -0.870 176.466 177.300 0.061 0.000 1.193 123 P CA 0.294 63.482 63.100 0.148 0.000 0.763 123 P CB 0.141 31.921 31.700 0.132 0.000 0.810 124 A N 5.175 128.051 122.820 0.093 0.000 2.363 124 A HA 0.462 4.782 4.320 0.000 0.000 0.296 124 A C -0.062 177.632 177.584 0.183 0.000 1.237 124 A CA -0.776 51.360 52.037 0.165 0.000 0.773 124 A CB 0.084 19.252 19.000 0.281 0.000 1.153 124 A HN 0.488 nan 8.150 nan 0.000 0.473 125 I N 4.288 124.893 120.570 0.060 0.000 2.347 125 I HA 0.327 4.497 4.170 0.000 0.000 0.294 125 I C -0.393 175.753 176.117 0.049 0.000 1.090 125 I CA 0.304 61.567 61.300 -0.060 0.000 1.314 125 I CB -0.232 37.750 38.000 -0.031 0.000 1.423 125 I HN 0.633 nan 8.210 nan 0.000 0.503 126 F N 5.315 125.284 119.950 0.032 0.000 2.640 126 F HA 0.764 5.291 4.527 0.000 0.000 0.324 126 F C -0.602 175.210 175.800 0.020 0.000 1.077 126 F CA -1.444 56.575 58.000 0.032 0.000 0.965 126 F CB 1.118 40.139 39.000 0.035 0.000 1.351 126 F HN 0.132 nan 8.300 nan 0.000 0.487 127 R N 1.089 121.784 120.500 0.324 0.000 2.599 127 R HA 0.760 5.100 4.340 0.000 0.000 0.295 127 R C -1.447 174.974 176.300 0.203 0.000 0.963 127 R CA -0.528 55.682 56.100 0.184 0.000 0.883 127 R CB 1.892 32.238 30.300 0.077 0.000 1.171 127 R HN 1.071 nan 8.270 nan 0.000 0.450 128 S N 0.818 116.613 115.700 0.158 0.000 2.595 128 S HA 0.360 4.830 4.470 0.000 0.000 0.281 128 S C -0.781 173.823 174.600 0.007 0.000 1.117 128 S CA -0.844 57.403 58.200 0.078 0.000 0.873 128 S CB 1.932 65.208 63.200 0.127 0.000 1.108 128 S HN 0.406 nan 8.310 nan 0.000 0.477 129 S N 0.936 116.617 115.700 -0.033 0.000 2.217 129 S HA 0.337 4.807 4.470 0.000 0.000 0.168 129 S C -0.219 174.327 174.600 -0.090 0.000 1.526 129 S CA -0.531 57.628 58.200 -0.069 0.000 1.150 129 S CB -0.977 62.182 63.200 -0.068 0.000 1.158 129 S HN 0.799 nan 8.310 nan 0.000 0.473 130 c N 5.032 123.571 118.600 -0.103 0.000 2.644 130 c HA 0.369 4.939 4.570 0.000 0.000 0.417 130 c C -1.423 172.522 174.090 -0.242 0.000 1.304 130 c CA -1.537 54.718 56.329 -0.124 0.000 2.035 130 c CB 0.401 42.868 42.510 -0.071 0.000 2.673 130 c HN 0.603 nan 8.230 nan 0.000 0.602 131 P HA -0.127 nan 4.420 nan 0.000 0.155 131 P C 0.815 177.931 177.300 -0.307 0.000 1.105 131 P CA 0.789 63.778 63.100 -0.185 0.000 0.873 131 P CB -0.317 31.321 31.700 -0.104 0.000 1.585 132 I N 0.028 120.273 120.570 -0.542 0.000 2.072 132 I HA -0.240 3.931 4.170 0.000 0.000 0.235 132 I C 0.966 176.928 176.117 -0.260 0.000 1.058 132 I CA 1.383 62.217 61.300 -0.778 0.000 1.320 132 I CB -1.040 36.543 38.000 -0.695 0.000 1.047 132 I HN 0.158 nan 8.210 nan 0.000 0.397 133 N N -1.519 117.057 118.700 -0.206 0.000 6.114 133 N HA -0.181 4.559 4.740 0.000 0.000 0.393 133 N C 0.080 175.517 175.510 -0.122 0.000 0.998 133 N CA 0.933 53.905 53.050 -0.130 0.000 2.178 133 N CB -0.328 38.105 38.487 -0.091 0.000 0.678 133 N HN 0.002 nan 8.380 nan 0.000 0.598 134 V N 0.468 120.312 119.914 -0.117 0.000 3.636 134 V HA 0.018 4.138 4.120 0.000 0.000 0.279 134 V C 1.200 177.215 176.094 -0.132 0.000 1.263 134 V CA 0.698 62.911 62.300 -0.144 0.000 1.182 134 V CB -0.769 30.964 31.823 -0.150 0.000 0.955 134 V HN 0.430 nan 8.190 nan 0.000 0.443 135 L N -1.302 119.867 121.223 -0.090 0.000 2.808 135 L HA 0.264 4.604 4.340 0.000 0.000 0.246 135 L C 1.159 177.980 176.870 -0.082 0.000 1.153 135 L CA 0.602 55.398 54.840 -0.074 0.000 0.956 135 L CB -0.590 41.446 42.059 -0.038 0.000 1.270 135 L HN 0.426 nan 8.230 nan 0.000 0.528 136 Y N -0.839 119.283 120.300 -0.297 0.000 2.583 136 Y HA 0.028 4.578 4.550 0.000 0.000 0.294 136 Y C 1.491 176.806 175.900 -0.975 0.000 1.170 136 Y CA 0.021 57.872 58.100 -0.416 0.000 1.265 136 Y CB 0.100 38.386 38.460 -0.291 0.000 1.119 136 Y HN 0.145 nan 8.280 nan 0.000 0.522 137 F N -0.269 119.096 119.950 -0.974 0.000 2.699 137 F HA 0.480 5.007 4.527 0.000 0.000 0.295 137 F C -1.996 173.199 175.800 -1.009 0.000 1.052 137 F CA -0.882 56.295 58.000 -1.372 0.000 1.239 137 F CB -0.411 38.082 39.000 -0.844 0.000 1.018 137 F HN -0.144 nan 8.300 nan 0.000 0.627 138 P HA -0.073 nan 4.420 nan 0.000 0.271 138 P C 0.337 177.472 177.300 -0.275 0.000 1.233 138 P CA 0.677 63.566 63.100 -0.351 0.000 0.795 138 P CB 0.323 31.982 31.700 -0.069 0.000 0.936 139 F N 0.215 120.188 119.950 0.039 0.000 2.307 139 F HA -0.196 4.331 4.527 0.000 0.000 0.301 139 F C 2.022 177.963 175.800 0.236 0.000 1.076 139 F CA 1.467 59.576 58.000 0.182 0.000 1.383 139 F CB -0.815 38.237 39.000 0.086 0.000 1.055 139 F HN 0.335 nan 8.300 nan 0.000 0.526 140 D N -2.217 118.364 120.400 0.302 0.000 2.183 140 D HA -0.262 4.378 4.640 0.000 0.000 0.203 140 D C 0.452 176.894 176.300 0.237 0.000 0.969 140 D CA 0.608 54.735 54.000 0.211 0.000 0.842 140 D CB -0.831 40.051 40.800 0.137 0.000 0.957 140 D HN 0.378 nan 8.370 nan 0.000 0.484 141 W N 1.948 123.158 121.300 -0.151 0.000 5.361 141 W HA -0.224 4.436 4.660 0.000 0.000 0.385 141 W C 0.759 177.081 176.519 -0.329 0.000 1.458 141 W CA 0.869 58.016 57.345 -0.329 0.000 0.922 141 W CB -2.441 26.770 29.460 -0.416 0.000 2.606 141 W HN 0.289 nan 8.180 nan 0.000 1.450 142 Q N -0.300 119.512 119.800 0.019 0.000 0.831 142 Q HA -0.284 4.056 4.340 0.000 0.000 0.385 142 Q C -0.314 175.761 176.000 0.125 0.000 1.056 142 Q CA 2.246 58.114 55.803 0.109 0.000 0.406 142 Q CB -0.593 28.313 28.738 0.280 0.000 5.334 142 Q HN 0.335 nan 8.270 nan 0.000 0.421 143 N N -0.394 118.397 118.700 0.150 0.000 2.549 143 N HA 0.279 5.020 4.740 0.000 0.000 0.281 143 N C -1.342 174.232 175.510 0.107 0.000 1.084 143 N CA -0.033 53.085 53.050 0.114 0.000 0.862 143 N CB 1.265 39.770 38.487 0.030 0.000 1.333 143 N HN 0.662 nan 8.380 nan 0.000 0.523 144 c N 3.207 121.931 118.600 0.206 0.000 2.540 144 c HA 0.436 5.006 4.570 0.000 0.000 0.377 144 c C 0.918 175.094 174.090 0.144 0.000 1.274 144 c CA -0.479 55.946 56.329 0.159 0.000 1.718 144 c CB -1.891 40.755 42.510 0.227 0.000 2.391 144 c HN 0.636 nan 8.230 nan 0.000 0.565 145 S N 6.709 122.445 115.700 0.060 0.000 2.480 145 S HA 0.828 5.298 4.470 0.000 0.000 0.286 145 S C -0.974 173.760 174.600 0.223 0.000 1.180 145 S CA -0.633 57.665 58.200 0.163 0.000 1.075 145 S CB 0.932 64.072 63.200 -0.100 0.000 0.996 145 S HN 0.704 nan 8.310 nan 0.000 0.487 146 L N 2.132 123.565 121.223 0.351 0.000 2.445 146 L HA 0.610 4.950 4.340 0.000 0.000 0.262 146 L C -0.377 176.700 176.870 0.344 0.000 0.974 146 L CA -0.412 54.598 54.840 0.284 0.000 0.822 146 L CB 2.237 44.507 42.059 0.352 0.000 1.339 146 L HN 0.725 nan 8.230 nan 0.000 0.409 147 K N 1.912 122.437 120.400 0.209 0.000 2.345 147 K HA 0.762 5.082 4.320 0.000 0.000 0.255 147 K C -1.586 175.124 176.600 0.184 0.000 0.934 147 K CA -0.211 56.213 56.287 0.228 0.000 0.801 147 K CB 1.449 34.044 32.500 0.158 0.000 1.137 147 K HN 0.368 nan 8.250 nan 0.000 0.424 148 F N 0.945 120.789 119.950 -0.178 0.000 2.546 148 F HA 0.622 5.149 4.527 0.000 0.000 0.320 148 F C 0.477 176.236 175.800 -0.067 0.000 1.076 148 F CA -0.766 57.137 58.000 -0.161 0.000 0.928 148 F CB 2.565 41.405 39.000 -0.267 0.000 1.189 148 F HN 0.459 nan 8.300 nan 0.000 0.465 149 T N 0.527 115.172 114.554 0.152 0.000 2.737 149 T HA 0.458 4.808 4.350 0.000 0.000 0.312 149 T C -1.856 172.903 174.700 0.098 0.000 1.857 149 T CA -0.565 61.623 62.100 0.147 0.000 0.999 149 T CB 0.512 69.487 68.868 0.180 0.000 1.854 149 T HN 0.910 nan 8.240 nan 0.000 0.513 150 A N 2.956 125.847 122.820 0.119 0.000 2.544 150 A HA 0.502 4.822 4.320 0.000 0.000 0.301 150 A C 1.588 179.266 177.584 0.157 0.000 1.368 150 A CA -0.222 51.888 52.037 0.121 0.000 1.045 150 A CB -0.567 18.498 19.000 0.109 0.000 1.129 150 A HN 1.040 nan 8.150 nan 0.000 0.540 151 L N 3.163 124.421 121.223 0.058 0.000 1.991 151 L HA -0.291 4.049 4.340 0.000 0.000 0.221 151 L C 2.220 179.070 176.870 -0.033 0.000 1.079 151 L CA 2.570 57.383 54.840 -0.046 0.000 0.778 151 L CB -0.592 41.441 42.059 -0.044 0.000 0.893 151 L HN 0.874 nan 8.230 nan 0.000 0.437 152 N N -2.212 116.480 118.700 -0.012 0.000 2.058 152 N HA -0.187 4.553 4.740 0.000 0.000 0.191 152 N C -0.047 175.364 175.510 -0.165 0.000 1.037 152 N CA 0.795 53.745 53.050 -0.166 0.000 0.848 152 N CB -0.061 38.188 38.487 -0.396 0.000 1.021 152 N HN 0.287 nan 8.380 nan 0.000 0.422 153 Y N 1.312 121.682 120.300 0.115 0.000 2.326 153 Y HA 0.174 4.724 4.550 0.000 0.000 0.333 153 Y C 1.002 177.005 175.900 0.172 0.000 1.240 153 Y CA -0.479 57.707 58.100 0.144 0.000 1.365 153 Y CB 0.323 38.896 38.460 0.188 0.000 1.289 153 Y HN 0.017 nan 8.280 nan 0.000 0.548 154 N N 0.242 119.118 118.700 0.294 0.000 2.786 154 N HA 0.379 5.119 4.740 0.000 0.000 0.315 154 N C 0.710 176.329 175.510 0.181 0.000 1.359 154 N CA 0.007 53.199 53.050 0.236 0.000 0.846 154 N CB 0.195 38.776 38.487 0.157 0.000 1.117 154 N HN 0.642 nan 8.380 nan 0.000 0.541 155 A N -0.246 122.634 122.820 0.100 0.000 2.238 155 A HA 0.074 4.394 4.320 0.000 0.000 0.208 155 A C 0.624 178.251 177.584 0.071 0.000 1.177 155 A CA 0.804 52.879 52.037 0.063 0.000 0.804 155 A CB -0.348 18.660 19.000 0.013 0.000 0.823 155 A HN 0.430 nan 8.150 nan 0.000 0.482 156 N N -0.714 118.040 118.700 0.089 0.000 2.241 156 N HA 0.144 4.884 4.740 0.000 0.000 0.238 156 N C 0.170 175.741 175.510 0.102 0.000 1.244 156 N CA 0.215 53.312 53.050 0.078 0.000 0.880 156 N CB 0.769 39.290 38.487 0.056 0.000 1.179 156 N HN 0.626 nan 8.380 nan 0.000 0.513 157 E N -0.412 119.882 120.200 0.155 0.000 2.633 157 E HA 0.348 4.699 4.350 0.000 0.000 0.222 157 E C -0.299 176.447 176.600 0.242 0.000 0.899 157 E CA 0.218 56.747 56.400 0.215 0.000 1.292 157 E CB 2.044 31.925 29.700 0.302 0.000 1.257 157 E HN 0.042 nan 8.360 nan 0.000 0.626 158 I N 0.549 121.247 120.570 0.214 0.000 2.787 158 I HA 0.163 4.333 4.170 0.000 0.000 0.294 158 I C -1.629 174.570 176.117 0.137 0.000 1.365 158 I CA -0.565 60.836 61.300 0.167 0.000 1.029 158 I CB 2.486 40.587 38.000 0.167 0.000 1.313 158 I HN -0.150 nan 8.210 nan 0.000 0.431 159 S N 7.729 123.496 115.700 0.111 0.000 2.789 159 S HA 0.601 5.071 4.470 0.000 0.000 0.286 159 S C -0.982 173.671 174.600 0.088 0.000 1.153 159 S CA -0.700 57.554 58.200 0.089 0.000 1.084 159 S CB 0.631 63.878 63.200 0.078 0.000 1.036 159 S HN 0.456 nan 8.310 nan 0.000 0.484 160 M N 4.079 123.729 119.600 0.083 0.000 2.101 160 M HA 0.451 4.931 4.480 0.000 0.000 0.340 160 M C -0.931 175.399 176.300 0.049 0.000 1.057 160 M CA -0.604 54.742 55.300 0.076 0.000 0.984 160 M CB 1.311 33.969 32.600 0.097 0.000 1.560 160 M HN 0.491 nan 8.290 nan 0.000 0.435 161 D N 2.238 122.664 120.400 0.043 0.000 2.385 161 D HA 0.636 5.276 4.640 0.000 0.000 0.254 161 D C -0.533 175.786 176.300 0.032 0.000 1.053 161 D CA -0.436 53.583 54.000 0.031 0.000 0.992 161 D CB 2.178 42.997 40.800 0.032 0.000 1.145 161 D HN 0.478 nan 8.370 nan 0.000 0.523 179 I N 4.195 124.763 120.570 -0.004 0.000 2.662 179 I HA 0.132 4.302 4.170 0.000 0.000 0.291 179 I C 1.031 177.184 176.117 0.060 0.000 1.046 179 I CA 0.571 61.889 61.300 0.028 0.000 1.361 179 I CB 1.216 39.260 38.000 0.073 0.000 1.429 179 I HN 0.648 nan 8.210 nan 0.000 0.558 180 D N 5.156 125.598 120.400 0.070 0.000 2.162 180 D HA 0.017 4.657 4.640 0.000 0.000 0.203 180 D C -1.231 175.154 176.300 0.142 0.000 0.967 180 D CA 0.926 54.997 54.000 0.118 0.000 0.840 180 D CB -0.313 40.560 40.800 0.122 0.000 0.972 180 D HN 0.445 nan 8.370 nan 0.000 0.482 181 P HA -0.052 nan 4.420 nan 0.000 0.247 181 P C 0.666 178.056 177.300 0.150 0.000 1.225 181 P CA 0.609 63.802 63.100 0.155 0.000 0.768 181 P CB 0.109 31.854 31.700 0.076 0.000 1.020 182 E N 0.741 121.013 120.200 0.121 0.000 2.204 182 E HA -0.048 4.302 4.350 0.000 0.000 0.194 182 E C 0.924 177.581 176.600 0.095 0.000 0.989 182 E CA 0.807 57.270 56.400 0.106 0.000 0.824 182 E CB 0.022 29.790 29.700 0.114 0.000 0.756 182 E HN 0.141 nan 8.360 nan 0.000 0.477 183 A N 0.263 123.135 122.820 0.086 0.000 2.573 183 A HA 0.160 4.480 4.320 0.000 0.000 0.269 183 A C -0.379 177.234 177.584 0.047 0.000 0.901 183 A CA -0.645 51.402 52.037 0.017 0.000 1.066 183 A CB -0.190 18.753 19.000 -0.095 0.000 1.221 183 A HN 0.271 nan 8.150 nan 0.000 0.483 184 F N 1.807 121.732 119.950 -0.041 0.000 2.607 184 F HA 0.367 4.894 4.527 0.000 0.000 0.374 184 F C 0.533 176.247 175.800 -0.144 0.000 1.104 184 F CA 0.770 58.728 58.000 -0.070 0.000 1.296 184 F CB 0.426 39.370 39.000 -0.094 0.000 1.085 184 F HN 0.078 nan 8.300 nan 0.000 0.584 185 T N 6.626 120.646 114.554 -0.891 0.000 2.851 185 T HA 0.050 4.400 4.350 0.000 0.000 0.298 185 T C 1.130 174.943 174.700 -1.478 0.000 0.977 185 T CA -0.155 61.401 62.100 -0.906 0.000 1.126 185 T CB 0.475 69.061 68.868 -0.470 0.000 0.916 185 T HN 0.709 nan 8.240 nan 0.000 0.529 186 E N 2.325 122.030 120.200 -0.825 0.000 2.482 186 E HA -0.019 4.331 4.350 0.000 0.000 0.196 186 E C 0.869 177.181 176.600 -0.480 0.000 1.047 186 E CA 0.181 56.194 56.400 -0.646 0.000 0.869 186 E CB 0.227 29.719 29.700 -0.347 0.000 0.836 186 E HN 0.421 nan 8.360 nan 0.000 0.520 187 N N 0.688 119.123 118.700 -0.442 0.000 2.279 187 N HA 0.051 4.791 4.740 0.000 0.000 0.226 187 N C 0.104 175.469 175.510 -0.243 0.000 1.126 187 N CA 0.024 52.912 53.050 -0.269 0.000 0.846 187 N CB 1.026 39.410 38.487 -0.171 0.000 1.050 187 N HN -0.004 nan 8.380 nan 0.000 0.502 188 G N 0.108 108.616 108.800 -0.487 0.000 2.425 188 G HA2 0.224 4.184 3.960 0.000 0.000 0.302 188 G HA3 0.224 4.184 3.960 0.000 0.000 0.302 188 G C 0.355 175.220 174.900 -0.058 0.000 1.159 188 G CA -0.270 44.579 45.100 -0.417 0.000 0.865 188 G HN 0.051 nan 8.290 nan 0.000 0.515 189 E N -0.246 120.227 120.200 0.456 0.000 2.445 189 E HA 0.166 4.516 4.350 0.000 0.000 0.189 189 E C -0.116 176.645 176.600 0.268 0.000 1.069 189 E CA -0.110 56.446 56.400 0.260 0.000 0.871 189 E CB 0.087 29.916 29.700 0.214 0.000 0.991 189 E HN 0.595 nan 8.360 nan 0.000 0.481 190 W N 0.217 121.504 121.300 -0.022 0.000 3.055 190 W HA 0.532 5.192 4.660 0.000 0.000 0.340 190 W C -1.077 175.406 176.519 -0.060 0.000 1.180 190 W CA -1.199 56.028 57.345 -0.196 0.000 1.077 190 W CB 0.626 29.948 29.460 -0.229 0.000 1.479 190 W HN -0.179 nan 8.180 nan 0.000 0.593 191 E N 1.242 121.315 120.200 -0.210 0.000 2.256 191 E HA 0.429 4.779 4.350 0.000 0.000 0.268 191 E C -1.113 175.237 176.600 -0.417 0.000 0.877 191 E CA -0.922 55.275 56.400 -0.338 0.000 0.757 191 E CB 2.118 31.691 29.700 -0.212 0.000 1.183 191 E HN 0.340 nan 8.360 nan 0.000 0.418 192 I N 4.951 125.111 120.570 -0.683 0.000 2.301 192 I HA 0.159 4.329 4.170 0.000 0.000 0.292 192 I C 0.840 176.846 176.117 -0.184 0.000 1.046 192 I CA -0.341 60.682 61.300 -0.463 0.000 1.282 192 I CB 0.499 38.102 38.000 -0.662 0.000 1.409 192 I HN 0.831 nan 8.210 nan 0.000 0.484 193 I N 4.922 125.450 120.570 -0.070 0.000 2.731 193 I HA -0.000 4.170 4.170 0.000 0.000 0.260 193 I C 0.517 176.695 176.117 0.101 0.000 1.138 193 I CA 0.607 61.907 61.300 0.000 0.000 1.461 193 I CB 0.119 38.128 38.000 0.015 0.000 1.128 193 I HN 0.564 nan 8.210 nan 0.000 0.438 194 H N 0.678 119.740 119.070 -0.012 0.000 3.014 194 H HA 0.505 5.061 4.556 0.000 0.000 0.337 194 H C -1.555 173.791 175.328 0.030 0.000 1.320 194 H CA -1.536 54.517 56.048 0.008 0.000 1.128 194 H CB 1.540 31.314 29.762 0.019 0.000 1.862 194 H HN -0.171 nan 8.280 nan 0.000 0.536 195 K N 2.995 123.152 120.400 -0.406 0.000 2.834 195 K HA 0.394 4.714 4.320 0.000 0.000 0.259 195 K C -3.296 172.994 176.600 -0.516 0.000 1.158 195 K CA -1.248 54.838 56.287 -0.335 0.000 1.068 195 K CB 1.007 33.473 32.500 -0.057 0.000 1.324 195 K HN 0.291 nan 8.250 nan 0.000 0.552 196 P HA 0.481 nan 4.420 nan 0.000 0.281 196 P C -1.425 175.604 177.300 -0.451 0.000 1.249 196 P CA -0.757 62.089 63.100 -0.422 0.000 0.810 196 P CB 1.731 33.243 31.700 -0.313 0.000 1.008 197 A N 2.401 124.909 122.820 -0.520 0.000 2.357 197 A HA 0.662 4.982 4.320 0.000 0.000 0.295 197 A C -0.895 176.448 177.584 -0.402 0.000 1.121 197 A CA -0.527 51.009 52.037 -0.834 0.000 0.742 197 A CB 0.724 18.881 19.000 -1.404 0.000 1.181 197 A HN 0.585 nan 8.150 nan 0.000 0.454 198 K N 1.717 122.008 120.400 -0.182 0.000 2.588 198 K HA 0.557 4.877 4.320 0.000 0.000 0.250 198 K C -0.587 176.035 176.600 0.035 0.000 0.972 198 K CA -0.894 55.350 56.287 -0.072 0.000 0.821 198 K CB 1.551 33.984 32.500 -0.112 0.000 1.249 198 K HN 0.526 nan 8.250 nan 0.000 0.442 199 K N 2.308 122.740 120.400 0.055 0.000 2.140 199 K HA 0.351 4.671 4.320 0.000 0.000 0.237 199 K C -0.584 175.999 176.600 -0.028 0.000 1.045 199 K CA -0.088 56.227 56.287 0.048 0.000 0.896 199 K CB 0.578 33.104 32.500 0.044 0.000 1.122 199 K HN 0.875 nan 8.250 nan 0.000 0.503 200 N N -1.684 116.980 118.700 -0.059 0.000 3.413 200 N HA 0.354 5.094 4.740 0.000 0.000 0.273 200 N C -1.992 173.398 175.510 -0.199 0.000 1.458 200 N CA -0.708 52.232 53.050 -0.183 0.000 0.860 200 N CB 0.935 39.276 38.487 -0.242 0.000 1.556 200 N HN 0.631 nan 8.380 nan 0.000 0.475 201 I N 0.499 120.833 120.570 -0.394 0.000 2.827 201 I HA 0.525 4.695 4.170 0.000 0.000 0.298 201 I C -1.996 173.878 176.117 -0.405 0.000 1.235 201 I CA -0.402 60.720 61.300 -0.297 0.000 1.021 201 I CB 2.157 40.038 38.000 -0.199 0.000 1.259 201 I HN 0.715 nan 8.210 nan 0.000 0.427 202 Y N 4.097 124.250 120.300 -0.246 0.000 2.424 202 Y HA 0.435 4.985 4.550 0.000 0.000 0.323 202 Y C 0.215 175.946 175.900 -0.281 0.000 1.174 202 Y CA -1.027 56.950 58.100 -0.204 0.000 1.060 202 Y CB 2.213 40.614 38.460 -0.099 0.000 1.314 202 Y HN 0.715 nan 8.280 nan 0.000 0.439 203 G N 1.047 109.870 108.800 0.039 0.000 2.537 203 G HA2 0.460 4.420 3.960 0.000 0.000 0.297 203 G HA3 0.460 4.420 3.960 0.000 0.000 0.297 203 G C -1.428 173.405 174.900 -0.111 0.000 1.310 203 G CA 0.138 45.186 45.100 -0.087 0.000 1.027 203 G HN 0.514 nan 8.290 nan 0.000 0.505 204 D N -2.722 117.596 120.400 -0.135 0.000 2.752 204 D HA 0.358 4.998 4.640 0.000 0.000 0.313 204 D C 1.031 177.255 176.300 -0.127 0.000 1.225 204 D CA -0.684 53.245 54.000 -0.120 0.000 0.976 204 D CB 1.504 42.265 40.800 -0.065 0.000 1.443 204 D HN 0.079 nan 8.370 nan 0.000 0.515 205 K N -0.248 120.113 120.400 -0.064 0.000 2.002 205 K HA 0.016 4.336 4.320 0.000 0.000 0.209 205 K C 1.813 178.411 176.600 -0.002 0.000 1.048 205 K CA 1.543 57.818 56.287 -0.021 0.000 0.930 205 K CB -0.523 31.994 32.500 0.027 0.000 0.714 205 K HN 0.434 nan 8.250 nan 0.000 0.438 206 F N 2.401 122.356 119.950 0.008 0.000 2.325 206 F HA 0.146 4.673 4.527 0.000 0.000 0.299 206 F C -1.660 174.151 175.800 0.018 0.000 1.090 206 F CA -1.014 56.993 58.000 0.011 0.000 1.392 206 F CB -1.485 37.523 39.000 0.013 0.000 1.053 206 F HN -0.105 nan 8.300 nan 0.000 0.521 207 P HA 0.159 nan 4.420 nan 0.000 0.285 207 P C -0.621 176.513 177.300 -0.276 0.000 1.259 207 P CA -0.117 62.549 63.100 -0.724 0.000 0.794 207 P CB 0.964 32.292 31.700 -0.620 0.000 0.940 208 N N 0.880 119.488 118.700 -0.153 0.000 2.276 208 N HA 0.221 4.961 4.740 0.000 0.000 0.212 208 N C 0.651 176.127 175.510 -0.056 0.000 1.127 208 N CA 0.181 53.189 53.050 -0.070 0.000 0.834 208 N CB 0.701 39.175 38.487 -0.022 0.000 1.014 208 N HN 0.596 nan 8.380 nan 0.000 0.491 209 G N -0.940 107.815 108.800 -0.076 0.000 2.698 209 G HA2 0.384 4.344 3.960 0.000 0.000 0.293 209 G HA3 0.384 4.344 3.960 0.000 0.000 0.293 209 G C -0.796 174.070 174.900 -0.057 0.000 1.437 209 G CA -0.363 44.709 45.100 -0.046 0.000 0.852 209 G HN -0.081 nan 8.290 nan 0.000 0.499 210 T N 1.435 115.968 114.554 -0.037 0.000 2.849 210 T HA 0.613 4.963 4.350 0.000 0.000 0.284 210 T C 0.313 174.980 174.700 -0.055 0.000 1.004 210 T CA -0.420 61.650 62.100 -0.050 0.000 1.021 210 T CB 0.868 69.724 68.868 -0.019 0.000 1.013 210 T HN 0.853 nan 8.240 nan 0.000 0.527 211 N N -0.705 117.916 118.700 -0.131 0.000 3.441 211 N HA 0.088 4.828 4.740 0.000 0.000 0.313 211 N C -1.092 174.267 175.510 -0.252 0.000 1.526 211 N CA -1.076 51.919 53.050 -0.091 0.000 0.871 211 N CB 0.485 39.006 38.487 0.057 0.000 1.779 211 N HN 0.732 nan 8.380 nan 0.000 0.529 212 Y N 0.527 120.879 120.300 0.087 0.000 2.755 212 Y HA -0.236 4.314 4.550 0.000 0.000 0.403 212 Y C -0.614 175.329 175.900 0.072 0.000 1.012 212 Y CA -0.183 57.973 58.100 0.094 0.000 1.503 212 Y CB -0.735 37.783 38.460 0.097 0.000 1.008 212 Y HN 0.310 nan 8.280 nan 0.000 0.502 213 Q N 4.676 124.554 119.800 0.130 0.000 2.227 213 Q HA 0.506 4.846 4.340 0.000 0.000 0.245 213 Q C -0.503 175.587 176.000 0.151 0.000 0.926 213 Q CA -0.418 55.423 55.803 0.062 0.000 0.895 213 Q CB 2.150 30.913 28.738 0.042 0.000 1.230 213 Q HN 0.841 nan 8.270 nan 0.000 0.450 214 D N -1.387 119.078 120.400 0.109 0.000 2.602 214 D HA 0.258 4.898 4.640 0.000 0.000 0.236 214 D C -0.429 175.913 176.300 0.069 0.000 1.209 214 D CA -0.772 53.304 54.000 0.127 0.000 0.831 214 D CB 1.452 42.371 40.800 0.198 0.000 1.478 214 D HN 0.274 nan 8.370 nan 0.000 0.438 215 V N -1.152 118.768 119.914 0.010 0.000 2.339 215 V HA 0.440 4.560 4.120 0.000 0.000 0.261 215 V C -0.071 175.935 176.094 -0.147 0.000 1.058 215 V CA -0.208 62.000 62.300 -0.153 0.000 0.897 215 V CB 0.022 31.472 31.823 -0.622 0.000 1.052 215 V HN 0.507 nan 8.190 nan 0.000 0.480 216 T N 6.962 121.608 114.554 0.154 0.000 2.728 216 T HA 0.555 4.905 4.350 0.000 0.000 0.296 216 T C -0.467 174.560 174.700 0.545 0.000 0.940 216 T CA 0.266 62.501 62.100 0.225 0.000 1.013 216 T CB -0.061 68.858 68.868 0.085 0.000 0.912 216 T HN 0.607 nan 8.240 nan 0.000 0.484 217 F N 2.887 122.851 119.950 0.023 0.000 2.500 217 F HA 0.360 4.887 4.527 0.000 0.000 0.349 217 F C 0.008 175.912 175.800 0.175 0.000 1.127 217 F CA -1.398 56.591 58.000 -0.018 0.000 0.998 217 F CB 1.309 40.262 39.000 -0.078 0.000 1.237 217 F HN 0.530 nan 8.300 nan 0.000 0.439 218 Y N 4.072 124.459 120.300 0.144 0.000 2.316 218 Y HA 0.364 4.914 4.550 0.000 0.000 0.331 218 Y C -0.208 175.717 175.900 0.042 0.000 1.083 218 Y CA -1.236 56.919 58.100 0.091 0.000 1.206 218 Y CB 1.694 40.183 38.460 0.048 0.000 1.195 218 Y HN 0.344 nan 8.280 nan 0.000 0.497 219 L N 7.031 128.406 121.223 0.254 0.000 2.318 219 L HA 0.455 4.795 4.340 0.000 0.000 0.277 219 L C -0.649 176.321 176.870 0.166 0.000 1.008 219 L CA -0.803 54.141 54.840 0.173 0.000 0.846 219 L CB 0.774 42.958 42.059 0.209 0.000 1.220 219 L HN 0.543 nan 8.230 nan 0.000 0.423 220 I N 5.719 126.360 120.570 0.119 0.000 2.297 220 I HA 0.555 4.725 4.170 0.000 0.000 0.291 220 I C -0.291 175.876 176.117 0.084 0.000 1.033 220 I CA -0.447 60.923 61.300 0.116 0.000 1.253 220 I CB 0.630 38.702 38.000 0.120 0.000 1.396 220 I HN 0.787 nan 8.210 nan 0.000 0.476 221 I N 4.657 125.263 120.570 0.060 0.000 3.522 221 I HA 0.718 4.888 4.170 0.000 0.000 0.292 221 I C -0.910 175.187 176.117 -0.033 0.000 1.147 221 I CA -1.101 60.203 61.300 0.007 0.000 1.032 221 I CB 2.208 40.258 38.000 0.083 0.000 1.337 221 I HN 0.657 nan 8.210 nan 0.000 0.496 222 R N 1.334 121.719 120.500 -0.191 0.000 2.663 222 R HA 0.567 4.907 4.340 0.000 0.000 0.267 222 R C -1.748 173.871 176.300 -1.135 0.000 1.038 222 R CA -0.715 55.016 56.100 -0.615 0.000 0.886 222 R CB 2.771 32.854 30.300 -0.360 0.000 1.249 222 R HN 0.956 nan 8.270 nan 0.000 0.463 223 R N 1.839 120.844 120.500 -2.492 0.000 2.712 223 R HA 0.477 4.817 4.340 0.000 0.000 0.272 223 R C -1.737 173.848 176.300 -1.193 0.000 1.032 223 R CA -0.598 54.522 56.100 -1.634 0.000 0.874 223 R CB 1.777 31.252 30.300 -1.375 0.000 1.256 223 R HN 0.666 nan 8.270 nan 0.000 0.468 224 K N 1.592 121.725 120.400 -0.445 0.000 3.328 224 K HA 0.077 4.397 4.320 0.000 0.000 0.421 224 K C -2.908 173.620 176.600 -0.121 0.000 1.257 224 K CA -0.870 55.302 56.287 -0.192 0.000 0.993 224 K CB 0.987 33.425 32.500 -0.104 0.000 1.196 224 K HN 0.658 nan 8.250 nan 0.000 0.438 225 P HA 0.248 nan 4.420 nan 0.000 0.276 225 P C -0.204 177.272 177.300 0.294 0.000 1.244 225 P CA -0.503 62.637 63.100 0.067 0.000 0.801 225 P CB 0.794 32.478 31.700 -0.026 0.000 1.006 226 L N 1.158 122.699 121.223 0.530 0.000 3.141 226 L HA 0.243 4.583 4.340 0.000 0.000 0.267 226 L C 0.319 177.224 176.870 0.059 0.000 1.281 226 L CA 0.114 55.102 54.840 0.247 0.000 1.037 226 L CB -0.286 41.792 42.059 0.031 0.000 1.407 226 L HN 0.286 nan 8.230 nan 0.000 0.566 227 F N -2.061 118.041 119.950 0.253 0.000 2.577 227 F HA 0.031 4.558 4.527 0.000 0.000 0.282 227 F C 2.222 178.210 175.800 0.314 0.000 0.957 227 F CA -0.305 57.827 58.000 0.220 0.000 1.168 227 F CB -0.401 38.687 39.000 0.145 0.000 0.958 227 F HN 0.041 nan 8.300 nan 0.000 0.702 228 Y N 0.485 120.952 120.300 0.278 0.000 2.181 228 Y HA -0.130 4.420 4.550 0.000 0.000 0.288 228 Y C 2.050 178.075 175.900 0.207 0.000 1.146 228 Y CA 1.049 59.235 58.100 0.144 0.000 1.164 228 Y CB -1.362 37.068 38.460 -0.050 0.000 0.982 228 Y HN -0.099 nan 8.280 nan 0.000 0.515 229 V N 2.843 122.826 119.914 0.115 0.000 2.370 229 V HA -0.378 3.742 4.120 0.000 0.000 0.252 229 V C 2.502 178.658 176.094 0.104 0.000 1.068 229 V CA 1.978 64.248 62.300 -0.050 0.000 1.061 229 V CB -1.560 30.323 31.823 0.100 0.000 0.656 229 V HN 0.764 nan 8.190 nan 0.000 0.455 230 I N 0.217 120.882 120.570 0.160 0.000 2.060 230 I HA -0.212 3.958 4.170 0.000 0.000 0.233 230 I C 2.285 178.493 176.117 0.151 0.000 1.054 230 I CA 2.520 63.892 61.300 0.120 0.000 1.318 230 I CB -0.905 37.145 38.000 0.083 0.000 1.054 230 I HN 0.246 nan 8.210 nan 0.000 0.395 231 N N -0.232 118.598 118.700 0.217 0.000 2.512 231 N HA -0.044 4.696 4.740 0.000 0.000 0.183 231 N C 1.506 177.124 175.510 0.181 0.000 1.073 231 N CA 0.981 54.143 53.050 0.188 0.000 0.911 231 N CB 0.051 38.663 38.487 0.208 0.000 0.964 231 N HN 0.369 nan 8.380 nan 0.000 0.447 232 F N 0.691 120.673 119.950 0.054 0.000 2.374 232 F HA 0.128 4.655 4.527 0.000 0.000 0.291 232 F C 1.934 177.751 175.800 0.028 0.000 1.084 232 F CA 0.229 58.251 58.000 0.035 0.000 1.413 232 F CB 0.196 39.202 39.000 0.011 0.000 1.099 232 F HN -0.072 nan 8.300 nan 0.000 0.534 233 I N -1.250 119.427 120.570 0.178 0.000 2.852 233 I HA -0.065 4.105 4.170 0.000 0.000 0.264 233 I C 2.215 178.373 176.117 0.069 0.000 1.179 233 I CA 0.759 62.132 61.300 0.121 0.000 1.480 233 I CB -2.189 35.867 38.000 0.095 0.000 1.111 233 I HN 0.007 nan 8.210 nan 0.000 0.441 234 T N 3.558 118.149 114.554 0.062 0.000 2.624 234 T HA -0.110 4.240 4.350 0.000 0.000 0.268 234 T C -0.157 174.550 174.700 0.011 0.000 1.041 234 T CA 2.498 64.621 62.100 0.039 0.000 1.159 234 T CB -1.223 67.670 68.868 0.042 0.000 0.863 234 T HN 0.317 nan 8.240 nan 0.000 0.434 235 P HA 0.050 nan 4.420 nan 0.000 0.223 235 P C 1.413 178.677 177.300 -0.059 0.000 1.151 235 P CA 0.786 63.848 63.100 -0.062 0.000 0.787 235 P CB -0.299 31.335 31.700 -0.109 0.000 0.788 236 C N 0.141 119.433 119.300 -0.013 0.000 2.453 236 C HA -0.071 4.389 4.460 0.000 0.000 0.277 236 C C 3.023 178.010 174.990 -0.005 0.000 1.262 236 C CA 1.243 60.266 59.018 0.008 0.000 1.718 236 C CB -1.411 26.370 27.740 0.069 0.000 2.031 236 C HN 0.223 nan 8.230 nan 0.000 0.480 237 V N -0.917 119.006 119.914 0.016 0.000 2.667 237 V HA -0.048 4.072 4.120 0.000 0.000 0.252 237 V C 2.051 178.169 176.094 0.040 0.000 1.065 237 V CA 1.701 64.029 62.300 0.047 0.000 1.083 237 V CB -0.745 31.117 31.823 0.064 0.000 0.692 237 V HN 0.376 nan 8.190 nan 0.000 0.468 238 L N -0.359 120.829 121.223 -0.059 0.000 2.007 238 L HA 0.055 4.395 4.340 0.000 0.000 0.205 238 L C 2.561 178.901 176.870 -0.884 0.000 1.073 238 L CA 1.810 56.454 54.840 -0.327 0.000 0.744 238 L CB -0.735 41.237 42.059 -0.145 0.000 0.898 238 L HN 0.178 nan 8.230 nan 0.000 0.435 239 I N -0.829 119.490 120.570 -0.417 0.000 2.127 239 I HA -0.321 3.849 4.170 0.000 0.000 0.241 239 I C 2.543 178.498 176.117 -0.270 0.000 1.075 239 I CA 1.418 62.525 61.300 -0.320 0.000 1.334 239 I CB -1.012 36.917 38.000 -0.118 0.000 1.040 239 I HN 0.239 nan 8.210 nan 0.000 0.405 240 S N 1.433 117.051 115.700 -0.136 0.000 2.374 240 S HA -0.224 4.246 4.470 0.000 0.000 0.227 240 S C 1.844 176.478 174.600 0.057 0.000 1.037 240 S CA 1.830 60.021 58.200 -0.016 0.000 1.024 240 S CB -0.585 62.636 63.200 0.036 0.000 0.861 240 S HN 0.558 nan 8.310 nan 0.000 0.456 241 F N 1.539 121.518 119.950 0.049 0.000 2.216 241 F HA 0.066 4.593 4.527 0.000 0.000 0.300 241 F C 1.723 177.563 175.800 0.067 0.000 1.085 241 F CA 0.405 58.433 58.000 0.047 0.000 1.326 241 F CB -1.073 37.932 39.000 0.010 0.000 1.027 241 F HN 0.109 nan 8.300 nan 0.000 0.497 242 L N 0.892 122.116 121.223 0.001 0.000 1.994 242 L HA -0.069 4.271 4.340 0.000 0.000 0.208 242 L C 2.757 179.708 176.870 0.135 0.000 1.071 242 L CA 1.832 56.738 54.840 0.109 0.000 0.745 242 L CB -0.916 41.080 42.059 -0.105 0.000 0.892 242 L HN 0.269 nan 8.230 nan 0.000 0.431 243 A N -1.036 121.832 122.820 0.079 0.000 2.014 243 A HA -0.036 4.284 4.320 0.000 0.000 0.218 243 A C 2.338 180.043 177.584 0.201 0.000 1.163 243 A CA 1.349 53.454 52.037 0.112 0.000 0.652 243 A CB -0.725 18.313 19.000 0.064 0.000 0.808 243 A HN 0.510 nan 8.150 nan 0.000 0.449 244 A N 0.076 123.039 122.820 0.238 0.000 1.872 244 A HA 0.041 4.361 4.320 0.000 0.000 0.214 244 A C 2.076 180.011 177.584 0.585 0.000 1.187 244 A CA 1.323 53.572 52.037 0.352 0.000 0.614 244 A CB -0.570 18.630 19.000 0.334 0.000 0.826 244 A HN 0.448 nan 8.150 nan 0.000 0.442 245 L N -0.632 120.874 121.223 0.471 0.000 2.141 245 L HA -0.140 4.200 4.340 0.000 0.000 0.209 245 L C 3.035 180.104 176.870 0.331 0.000 1.094 245 L CA 0.764 55.868 54.840 0.439 0.000 0.763 245 L CB -0.845 41.377 42.059 0.272 0.000 0.908 245 L HN 0.434 nan 8.230 nan 0.000 0.437 246 A N 0.724 123.686 122.820 0.236 0.000 1.896 246 A HA -0.279 4.041 4.320 0.000 0.000 0.220 246 A C 2.007 179.598 177.584 0.012 0.000 1.206 246 A CA 2.093 54.187 52.037 0.094 0.000 0.647 246 A CB -0.931 18.138 19.000 0.116 0.000 0.828 246 A HN 0.354 nan 8.150 nan 0.000 0.455 247 F N -2.191 117.729 119.950 -0.051 0.000 2.558 247 F HA 0.064 4.591 4.527 0.000 0.000 0.298 247 F C 1.850 177.515 175.800 -0.224 0.000 1.119 247 F CA 0.660 58.545 58.000 -0.191 0.000 1.451 247 F CB -0.265 38.529 39.000 -0.343 0.000 1.091 247 F HN 0.315 nan 8.300 nan 0.000 0.563 248 Y N -1.514 118.854 120.300 0.114 0.000 2.420 248 Y HA -0.068 4.482 4.550 0.000 0.000 0.292 248 Y C 1.890 177.806 175.900 0.026 0.000 1.119 248 Y CA 0.303 58.443 58.100 0.067 0.000 1.229 248 Y CB -0.352 38.144 38.460 0.060 0.000 1.026 248 Y HN -0.115 nan 8.280 nan 0.000 0.554 249 L N 0.487 121.801 121.223 0.153 0.000 2.313 249 L HA -0.017 4.323 4.340 0.000 0.000 0.214 249 L C -0.537 176.345 176.870 0.021 0.000 1.119 249 L CA 0.889 55.773 54.840 0.074 0.000 0.809 249 L CB -2.023 40.071 42.059 0.058 0.000 0.933 249 L HN 0.103 nan 8.230 nan 0.000 0.449 250 P HA -0.102 nan 4.420 nan 0.000 0.226 250 P C 1.124 178.425 177.300 0.001 0.000 1.153 250 P CA 1.539 64.615 63.100 -0.040 0.000 0.777 250 P CB 0.400 31.990 31.700 -0.183 0.000 0.794 251 A N 0.549 123.379 122.820 0.017 0.000 1.919 251 A HA -0.018 4.302 4.320 0.000 0.000 0.211 251 A C 2.329 179.937 177.584 0.040 0.000 1.310 251 A CA 0.885 52.944 52.037 0.036 0.000 0.651 251 A CB -1.241 17.791 19.000 0.054 0.000 0.996 251 A HN 0.051 nan 8.150 nan 0.000 0.479 252 E N 0.350 120.581 120.200 0.052 0.000 2.233 252 E HA -0.125 4.225 4.350 0.000 0.000 0.199 252 E C 0.274 176.893 176.600 0.032 0.000 1.004 252 E CA 1.391 57.817 56.400 0.044 0.000 0.819 252 E CB -0.057 29.673 29.700 0.050 0.000 0.738 252 E HN 0.409 nan 8.360 nan 0.000 0.478 253 S N -2.205 113.513 115.700 0.031 0.000 2.888 253 S HA 0.241 4.711 4.470 0.000 0.000 0.145 253 S C 0.387 175.005 174.600 0.030 0.000 0.705 253 S CA -0.028 58.186 58.200 0.025 0.000 0.891 253 S CB -0.381 62.833 63.200 0.024 0.000 1.592 253 S HN 0.251 nan 8.310 nan 0.000 0.514 254 G N 1.578 110.393 108.800 0.025 0.000 2.598 254 G HA2 0.012 3.972 3.960 0.000 0.000 0.215 254 G HA3 0.012 3.972 3.960 0.000 0.000 0.215 254 G C 0.943 175.853 174.900 0.017 0.000 1.131 254 G CA 0.317 45.442 45.100 0.041 0.000 0.785 254 G HN 0.703 nan 8.290 nan 0.000 0.539 255 E N 0.617 120.815 120.200 -0.003 0.000 2.401 255 E HA -0.080 4.270 4.350 0.000 0.000 0.199 255 E C 0.854 177.450 176.600 -0.007 0.000 1.023 255 E CA 0.437 56.822 56.400 -0.026 0.000 0.859 255 E CB -0.008 29.682 29.700 -0.017 0.000 0.780 255 E HN 0.495 nan 8.360 nan 0.000 0.523 256 K N 0.821 121.240 120.400 0.032 0.000 3.277 256 K HA 0.093 4.413 4.320 0.000 0.000 0.280 256 K C 1.103 177.756 176.600 0.090 0.000 1.182 256 K CA -0.195 56.120 56.287 0.048 0.000 1.219 256 K CB 0.083 32.614 32.500 0.051 0.000 1.373 256 K HN -0.001 nan 8.250 nan 0.000 0.392 257 M N 0.723 120.340 119.600 0.028 0.000 2.605 257 M HA -0.254 4.226 4.480 0.000 0.000 0.269 257 M C 2.343 178.689 176.300 0.078 0.000 1.064 257 M CA 1.830 57.120 55.300 -0.017 0.000 1.078 257 M CB -1.417 31.083 32.600 -0.166 0.000 1.234 257 M HN 0.419 nan 8.290 nan 0.000 0.483 258 S N -0.838 114.878 115.700 0.026 0.000 2.365 258 S HA -0.187 4.283 4.470 0.000 0.000 0.225 258 S C 2.046 176.677 174.600 0.052 0.000 1.039 258 S CA 2.341 60.561 58.200 0.033 0.000 1.033 258 S CB -0.403 62.805 63.200 0.014 0.000 0.887 258 S HN 0.595 nan 8.310 nan 0.000 0.447 259 T N 0.678 115.262 114.554 0.051 0.000 2.867 259 T HA 0.125 4.475 4.350 0.000 0.000 0.268 259 T C 1.767 176.494 174.700 0.045 0.000 1.057 259 T CA 1.289 63.415 62.100 0.042 0.000 1.136 259 T CB -0.474 68.415 68.868 0.035 0.000 0.874 259 T HN 0.498 nan 8.240 nan 0.000 0.466 260 A N 1.190 124.062 122.820 0.087 0.000 1.929 260 A HA 0.065 4.385 4.320 0.000 0.000 0.216 260 A C 2.093 179.693 177.584 0.026 0.000 1.176 260 A CA 0.868 52.923 52.037 0.030 0.000 0.628 260 A CB -0.435 18.610 19.000 0.075 0.000 0.816 260 A HN 0.465 nan 8.150 nan 0.000 0.444 261 I N 0.863 121.521 120.570 0.147 0.000 2.179 261 I HA -0.257 3.913 4.170 0.000 0.000 0.242 261 I C 2.973 179.105 176.117 0.026 0.000 1.088 261 I CA 1.183 62.547 61.300 0.108 0.000 1.357 261 I CB -1.854 36.204 38.000 0.095 0.000 1.051 261 I HN 0.691 nan 8.210 nan 0.000 0.409 262 C N 0.755 120.066 119.300 0.018 0.000 2.398 262 C HA -0.150 4.310 4.460 0.000 0.000 0.276 262 C C 2.750 177.712 174.990 -0.047 0.000 1.222 262 C CA 0.915 59.930 59.018 -0.005 0.000 1.746 262 C CB -1.577 26.168 27.740 0.009 0.000 2.039 262 C HN 0.337 nan 8.230 nan 0.000 0.470 263 V N 1.340 121.221 119.914 -0.054 0.000 2.469 263 V HA -0.189 3.931 4.120 0.000 0.000 0.251 263 V C 2.661 178.653 176.094 -0.170 0.000 1.064 263 V CA 2.148 64.382 62.300 -0.110 0.000 1.066 263 V CB -1.078 30.699 31.823 -0.077 0.000 0.667 263 V HN 0.670 nan 8.190 nan 0.000 0.461 264 L N -0.577 120.581 121.223 -0.108 0.000 1.994 264 L HA -0.127 4.213 4.340 0.000 0.000 0.208 264 L C 2.372 179.159 176.870 -0.140 0.000 1.071 264 L CA 1.716 56.495 54.840 -0.102 0.000 0.745 264 L CB -0.308 41.739 42.059 -0.019 0.000 0.892 264 L HN 0.191 nan 8.230 nan 0.000 0.431 265 L N -0.659 120.504 121.223 -0.100 0.000 1.997 265 L HA -0.324 4.016 4.340 0.000 0.000 0.216 265 L C 2.719 179.468 176.870 -0.202 0.000 1.074 265 L CA 1.648 56.431 54.840 -0.096 0.000 0.763 265 L CB -1.154 40.879 42.059 -0.045 0.000 0.890 265 L HN 0.425 nan 8.230 nan 0.000 0.434 266 A N 0.464 123.093 122.820 -0.319 0.000 1.873 266 A HA -0.239 4.081 4.320 0.000 0.000 0.215 266 A C 2.172 178.696 177.584 -1.767 0.000 1.186 266 A CA 1.645 53.260 52.037 -0.703 0.000 0.616 266 A CB -0.616 18.148 19.000 -0.395 0.000 0.823 266 A HN 0.649 nan 8.150 nan 0.000 0.442 267 Q N -0.426 118.751 119.800 -1.038 0.000 2.364 267 Q HA 0.181 4.521 4.340 0.000 0.000 0.207 267 Q C 1.883 177.620 176.000 -0.437 0.000 0.970 267 Q CA 1.152 56.471 55.803 -0.807 0.000 0.888 267 Q CB -0.461 28.074 28.738 -0.338 0.000 0.951 267 Q HN 0.538 nan 8.270 nan 0.000 0.469 268 A N 1.337 123.956 122.820 -0.335 0.000 1.843 268 A HA -0.059 4.262 4.320 0.000 0.000 0.213 268 A C 2.253 179.818 177.584 -0.032 0.000 1.202 268 A CA 1.047 53.010 52.037 -0.122 0.000 0.607 268 A CB -1.000 17.956 19.000 -0.074 0.000 0.847 268 A HN 0.258 nan 8.150 nan 0.000 0.445 269 V N -0.127 119.782 119.914 -0.009 0.000 2.469 269 V HA -0.262 3.858 4.120 0.000 0.000 0.251 269 V C 2.169 178.464 176.094 0.335 0.000 1.064 269 V CA 2.218 64.618 62.300 0.166 0.000 1.066 269 V CB -0.786 31.168 31.823 0.218 0.000 0.667 269 V HN 0.591 nan 8.190 nan 0.000 0.461 270 F N -0.747 119.198 119.950 -0.009 0.000 2.102 270 F HA -0.162 4.365 4.527 0.000 0.000 0.298 270 F C 2.401 178.185 175.800 -0.026 0.000 1.105 270 F CA 1.526 59.512 58.000 -0.024 0.000 1.239 270 F CB -0.297 38.681 39.000 -0.037 0.000 0.991 270 F HN 0.213 nan 8.300 nan 0.000 0.474 271 L N 1.157 122.492 121.223 0.186 0.000 1.994 271 L HA -0.228 4.112 4.340 0.000 0.000 0.208 271 L C 2.315 179.234 176.870 0.081 0.000 1.071 271 L CA 1.478 56.374 54.840 0.093 0.000 0.745 271 L CB -0.434 41.656 42.059 0.051 0.000 0.892 271 L HN 0.142 nan 8.230 nan 0.000 0.431 272 L N -0.644 120.628 121.223 0.081 0.000 1.955 272 L HA -0.274 4.066 4.340 0.000 0.000 0.213 272 L C 2.520 179.432 176.870 0.070 0.000 1.072 272 L CA 1.611 56.492 54.840 0.069 0.000 0.755 272 L CB -1.233 40.863 42.059 0.062 0.000 0.888 272 L HN 0.192 nan 8.230 nan 0.000 0.432 273 L N -0.623 120.644 121.223 0.074 0.000 2.362 273 L HA -0.136 4.204 4.340 0.000 0.000 0.219 273 L C 2.691 179.596 176.870 0.060 0.000 1.134 273 L CA 0.938 55.816 54.840 0.062 0.000 0.807 273 L CB -0.407 41.683 42.059 0.052 0.000 0.927 273 L HN 0.413 nan 8.230 nan 0.000 0.447 274 T N -0.837 113.746 114.554 0.050 0.000 2.720 274 T HA -0.178 4.172 4.350 0.000 0.000 0.268 274 T C 2.045 176.808 174.700 0.105 0.000 1.037 274 T CA 1.772 63.885 62.100 0.022 0.000 1.144 274 T CB -0.036 68.811 68.868 -0.034 0.000 0.864 274 T HN 0.601 nan 8.240 nan 0.000 0.444 275 S N 0.730 116.490 115.700 0.101 0.000 2.447 275 S HA -0.107 4.363 4.470 0.000 0.000 0.233 275 S C 1.944 176.611 174.600 0.111 0.000 1.006 275 S CA 0.519 58.791 58.200 0.120 0.000 0.957 275 S CB -0.323 62.929 63.200 0.087 0.000 0.773 275 S HN 0.391 nan 8.310 nan 0.000 0.507 276 Q N 1.844 121.701 119.800 0.095 0.000 2.083 276 Q HA 0.098 4.438 4.340 0.000 0.000 0.198 276 Q C 2.243 178.302 176.000 0.098 0.000 0.969 276 Q CA 1.316 57.167 55.803 0.080 0.000 0.838 276 Q CB -0.594 28.183 28.738 0.064 0.000 0.900 276 Q HN 0.627 nan 8.270 nan 0.000 0.436 277 R N 0.585 121.163 120.500 0.130 0.000 2.193 277 R HA -0.085 4.255 4.340 0.000 0.000 0.229 277 R C 2.072 178.489 176.300 0.195 0.000 1.110 277 R CA 0.540 56.742 56.100 0.170 0.000 0.988 277 R CB -0.403 30.034 30.300 0.230 0.000 0.871 277 R HN 0.125 nan 8.270 nan 0.000 0.458 278 L N 1.901 123.245 121.223 0.201 0.000 2.044 278 L HA 0.020 4.360 4.340 0.000 0.000 0.205 278 L C -0.937 175.983 176.870 0.083 0.000 1.075 278 L CA 1.743 56.684 54.840 0.168 0.000 0.747 278 L CB -1.347 40.826 42.059 0.191 0.000 0.903 278 L HN 0.076 nan 8.230 nan 0.000 0.435 279 P HA -0.176 nan 4.420 nan 0.000 0.220 279 P C 1.362 178.677 177.300 0.024 0.000 1.152 279 P CA 1.369 64.485 63.100 0.028 0.000 0.812 279 P CB 0.164 31.877 31.700 0.022 0.000 0.792 280 E N 1.766 121.991 120.200 0.042 0.000 2.048 280 E HA -0.236 4.114 4.350 0.000 0.000 0.202 280 E C 1.936 178.555 176.600 0.032 0.000 1.021 280 E CA 3.304 59.727 56.400 0.039 0.000 0.825 280 E CB -1.660 28.075 29.700 0.057 0.000 0.756 280 E HN 0.282 nan 8.360 nan 0.000 0.454 281 T N -2.510 112.069 114.554 0.043 0.000 3.023 281 T HA 0.229 4.579 4.350 0.000 0.000 0.266 281 T C 1.846 176.554 174.700 0.013 0.000 1.093 281 T CA 0.864 62.983 62.100 0.032 0.000 1.129 281 T CB -0.324 68.566 68.868 0.037 0.000 0.899 281 T HN 0.352 nan 8.240 nan 0.000 0.491 282 A N 2.373 125.198 122.820 0.008 0.000 1.825 282 A HA 0.173 4.493 4.320 0.000 0.000 0.214 282 A C 2.382 179.945 177.584 -0.034 0.000 1.206 282 A CA 1.325 53.350 52.037 -0.021 0.000 0.609 282 A CB -1.141 17.844 19.000 -0.026 0.000 0.851 282 A HN 0.477 nan 8.150 nan 0.000 0.445 283 L N -0.562 120.646 121.223 -0.026 0.000 2.064 283 L HA -0.305 4.035 4.340 0.000 0.000 0.216 283 L C 2.919 179.772 176.870 -0.029 0.000 1.077 283 L CA 1.319 56.140 54.840 -0.032 0.000 0.766 283 L CB -0.556 41.491 42.059 -0.021 0.000 0.890 283 L HN 0.493 nan 8.230 nan 0.000 0.435 284 A N -1.015 121.798 122.820 -0.013 0.000 2.172 284 A HA 0.108 4.428 4.320 0.000 0.000 0.216 284 A C 0.752 178.332 177.584 -0.006 0.000 1.154 284 A CA 0.673 52.706 52.037 -0.006 0.000 0.701 284 A CB -0.207 18.798 19.000 0.008 0.000 0.789 284 A HN 0.196 nan 8.150 nan 0.000 0.465 285 V N 0.953 120.856 119.914 -0.017 0.000 2.612 285 V HA 0.295 4.415 4.120 0.000 0.000 0.301 285 V C -2.834 173.213 176.094 -0.077 0.000 1.059 285 V CA -1.751 60.540 62.300 -0.016 0.000 0.886 285 V CB 2.355 34.194 31.823 0.025 0.000 1.007 285 V HN 0.168 nan 8.190 nan 0.000 0.426 286 P HA 0.242 nan 4.420 nan 0.000 0.271 286 P C -0.601 176.493 177.300 -0.343 0.000 1.380 286 P CA 0.078 63.063 63.100 -0.190 0.000 0.992 286 P CB 0.628 32.223 31.700 -0.174 0.000 1.230 287 L N 4.669 125.654 121.223 -0.397 0.000 2.350 287 L HA 0.384 4.724 4.340 0.000 0.000 0.275 287 L C 1.373 177.743 176.870 -0.833 0.000 1.099 287 L CA -1.039 53.366 54.840 -0.725 0.000 0.808 287 L CB 1.089 42.902 42.059 -0.411 0.000 1.149 287 L HN 0.289 nan 8.230 nan 0.000 0.442 288 I N 0.767 120.496 120.570 -1.402 0.000 3.004 288 I HA 0.083 4.253 4.170 0.000 0.000 0.287 288 I C 1.411 177.230 176.117 -0.496 0.000 1.144 288 I CA 0.460 61.241 61.300 -0.865 0.000 1.353 288 I CB 1.496 38.968 38.000 -0.880 0.000 1.417 288 I HN 0.734 nan 8.210 nan 0.000 0.602 289 G N 3.367 111.978 108.800 -0.314 0.000 2.494 289 G HA2 -0.105 3.855 3.960 0.000 0.000 0.216 289 G HA3 -0.105 3.855 3.960 0.000 0.000 0.216 289 G C 1.376 176.149 174.900 -0.211 0.000 1.140 289 G CA 0.244 45.214 45.100 -0.217 0.000 0.801 289 G HN 0.659 nan 8.290 nan 0.000 0.536 290 K N -0.339 119.979 120.400 -0.136 0.000 2.026 290 K HA -0.071 4.249 4.320 0.000 0.000 0.208 290 K C 2.116 178.548 176.600 -0.281 0.000 1.048 290 K CA 1.249 57.502 56.287 -0.057 0.000 0.929 290 K CB -0.241 32.453 32.500 0.322 0.000 0.713 290 K HN 0.326 nan 8.250 nan 0.000 0.439 291 Y N 0.704 120.832 120.300 -0.287 0.000 2.269 291 Y HA 0.061 4.611 4.550 0.000 0.000 0.294 291 Y C 2.007 177.771 175.900 -0.227 0.000 1.120 291 Y CA 0.048 58.079 58.100 -0.115 0.000 1.159 291 Y CB -0.692 37.878 38.460 0.183 0.000 1.024 291 Y HN -0.069 nan 8.280 nan 0.000 0.532 292 L N -0.956 120.228 121.223 -0.066 0.000 2.353 292 L HA -0.235 4.106 4.340 0.000 0.000 0.220 292 L C 1.800 178.600 176.870 -0.118 0.000 1.133 292 L CA 0.908 55.703 54.840 -0.074 0.000 0.798 292 L CB -0.224 41.768 42.059 -0.112 0.000 0.922 292 L HN 0.228 nan 8.230 nan 0.000 0.445 293 M N -1.509 117.919 119.600 -0.286 0.000 2.216 293 M HA -0.021 4.459 4.480 0.000 0.000 0.264 293 M C 1.909 178.115 176.300 -0.157 0.000 1.080 293 M CA 1.642 56.793 55.300 -0.248 0.000 1.153 293 M CB -0.648 31.756 32.600 -0.326 0.000 1.356 293 M HN 0.006 nan 8.290 nan 0.000 0.432 294 F N -0.001 119.915 119.950 -0.057 0.000 2.154 294 F HA -0.281 4.246 4.527 0.000 0.000 0.301 294 F C 2.017 177.748 175.800 -0.114 0.000 1.087 294 F CA 0.696 58.593 58.000 -0.172 0.000 1.274 294 F CB -0.912 37.817 39.000 -0.451 0.000 1.009 294 F HN 0.099 nan 8.300 nan 0.000 0.485 295 I N -0.151 120.476 120.570 0.095 0.000 2.086 295 I HA -0.287 3.883 4.170 0.000 0.000 0.233 295 I C 2.410 178.592 176.117 0.108 0.000 1.060 295 I CA 1.206 62.577 61.300 0.119 0.000 1.326 295 I CB -0.548 37.529 38.000 0.129 0.000 1.067 295 I HN 0.089 nan 8.210 nan 0.000 0.398 296 M N 0.602 120.247 119.600 0.075 0.000 2.358 296 M HA -0.119 4.361 4.480 0.000 0.000 0.264 296 M C 2.508 178.843 176.300 0.057 0.000 1.064 296 M CA 1.331 56.669 55.300 0.064 0.000 1.093 296 M CB -1.434 31.191 32.600 0.041 0.000 1.401 296 M HN 0.395 nan 8.290 nan 0.000 0.440 297 S N 0.885 116.621 115.700 0.060 0.000 2.355 297 S HA -0.051 4.419 4.470 0.000 0.000 0.222 297 S C 1.946 176.598 174.600 0.086 0.000 1.031 297 S CA 0.804 59.046 58.200 0.070 0.000 0.993 297 S CB -0.106 63.151 63.200 0.094 0.000 0.859 297 S HN 0.498 nan 8.310 nan 0.000 0.453 298 L N 1.375 122.664 121.223 0.111 0.000 2.179 298 L HA 0.026 4.366 4.340 0.000 0.000 0.208 298 L C 2.451 179.378 176.870 0.094 0.000 1.096 298 L CA 0.715 55.625 54.840 0.117 0.000 0.779 298 L CB -0.319 41.842 42.059 0.169 0.000 0.922 298 L HN 0.279 nan 8.230 nan 0.000 0.443 299 V N -2.071 117.897 119.914 0.090 0.000 2.667 299 V HA -0.187 3.933 4.120 0.000 0.000 0.252 299 V C 2.363 178.491 176.094 0.057 0.000 1.065 299 V CA 1.859 64.203 62.300 0.072 0.000 1.083 299 V CB -0.970 30.897 31.823 0.075 0.000 0.692 299 V HN 0.390 nan 8.190 nan 0.000 0.468 300 T N 1.044 115.632 114.554 0.058 0.000 2.904 300 T HA -0.033 4.317 4.350 0.000 0.000 0.267 300 T C 2.021 176.748 174.700 0.045 0.000 1.059 300 T CA 1.425 63.553 62.100 0.048 0.000 1.137 300 T CB -0.527 68.368 68.868 0.045 0.000 0.879 300 T HN 0.628 nan 8.240 nan 0.000 0.467 301 G N 1.576 110.406 108.800 0.050 0.000 2.469 301 G HA2 -0.209 3.751 3.960 0.000 0.000 0.220 301 G HA3 -0.209 3.751 3.960 0.000 0.000 0.220 301 G C 1.670 176.587 174.900 0.029 0.000 1.136 301 G CA 1.459 46.584 45.100 0.041 0.000 0.759 301 G HN 0.526 nan 8.290 nan 0.000 0.562 302 V N -0.130 119.805 119.914 0.035 0.000 2.446 302 V HA -0.064 4.056 4.120 0.000 0.000 0.244 302 V C 2.874 178.987 176.094 0.032 0.000 1.039 302 V CA 1.077 63.394 62.300 0.028 0.000 1.045 302 V CB -0.789 31.049 31.823 0.025 0.000 0.681 302 V HN 0.185 nan 8.190 nan 0.000 0.459 303 V N 0.631 120.565 119.914 0.034 0.000 2.252 303 V HA -0.268 3.852 4.120 0.000 0.000 0.249 303 V C 2.595 178.715 176.094 0.044 0.000 1.056 303 V CA 2.299 64.620 62.300 0.035 0.000 1.022 303 V CB -0.946 30.899 31.823 0.036 0.000 0.641 303 V HN 0.414 nan 8.190 nan 0.000 0.445 304 V N 0.462 120.402 119.914 0.043 0.000 2.233 304 V HA -0.288 3.832 4.120 0.000 0.000 0.247 304 V C 2.262 178.391 176.094 0.059 0.000 1.050 304 V CA 2.412 64.741 62.300 0.047 0.000 1.010 304 V CB -0.851 30.994 31.823 0.037 0.000 0.637 304 V HN 0.592 nan 8.190 nan 0.000 0.444 305 N N -0.717 118.009 118.700 0.045 0.000 2.520 305 N HA -0.116 4.624 4.740 0.000 0.000 0.185 305 N C 1.655 177.234 175.510 0.115 0.000 1.068 305 N CA 1.481 54.566 53.050 0.058 0.000 0.911 305 N CB -0.152 38.324 38.487 -0.019 0.000 0.961 305 N HN 0.555 nan 8.380 nan 0.000 0.446 306 C N -0.657 118.693 119.300 0.084 0.000 2.486 306 C HA 0.075 4.535 4.460 0.000 0.000 0.279 306 C C 2.762 177.820 174.990 0.114 0.000 1.302 306 C CA 0.357 59.424 59.018 0.082 0.000 1.720 306 C CB -1.218 26.546 27.740 0.039 0.000 2.030 306 C HN 0.410 nan 8.230 nan 0.000 0.490 307 G N 0.415 109.278 108.800 0.105 0.000 2.422 307 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 307 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 307 G C 1.555 176.543 174.900 0.147 0.000 1.146 307 G CA 0.673 45.847 45.100 0.123 0.000 0.769 307 G HN 0.538 nan 8.290 nan 0.000 0.547 308 I N 0.042 120.704 120.570 0.154 0.000 2.179 308 I HA -0.150 4.021 4.170 0.000 0.000 0.242 308 I C 2.783 179.080 176.117 0.299 0.000 1.088 308 I CA 0.572 62.004 61.300 0.219 0.000 1.357 308 I CB -0.035 38.090 38.000 0.208 0.000 1.051 308 I HN 0.067 nan 8.210 nan 0.000 0.409 309 V N 0.940 121.021 119.914 0.277 0.000 2.250 309 V HA -0.357 3.764 4.120 0.000 0.000 0.250 309 V C 2.339 178.587 176.094 0.256 0.000 1.060 309 V CA 1.653 64.092 62.300 0.230 0.000 1.030 309 V CB -0.623 31.270 31.823 0.117 0.000 0.643 309 V HN 0.308 nan 8.190 nan 0.000 0.445 310 L N -0.022 121.363 121.223 0.269 0.000 1.952 310 L HA -0.276 4.064 4.340 0.000 0.000 0.236 310 L C 2.353 179.245 176.870 0.037 0.000 1.092 310 L CA 2.288 57.382 54.840 0.424 0.000 0.817 310 L CB -2.008 40.318 42.059 0.444 0.000 0.907 310 L HN 0.434 nan 8.230 nan 0.000 0.438 311 N N -0.712 117.748 118.700 -0.401 0.000 2.037 311 N HA -0.272 4.468 4.740 0.000 0.000 0.196 311 N C 1.960 177.171 175.510 -0.499 0.000 1.034 311 N CA 1.877 54.350 53.050 -0.961 0.000 0.861 311 N CB -0.346 37.889 38.487 -0.420 0.000 1.039 311 N HN 0.282 nan 8.380 nan 0.000 0.427 312 F N 0.440 120.285 119.950 -0.174 0.000 2.269 312 F HA -0.199 4.328 4.527 0.000 0.000 0.301 312 F C 2.533 178.268 175.800 -0.108 0.000 1.082 312 F CA 1.424 59.385 58.000 -0.065 0.000 1.360 312 F CB -0.075 39.031 39.000 0.176 0.000 1.041 312 F HN 0.259 nan 8.300 nan 0.000 0.512 313 H N -0.863 118.217 119.070 0.018 0.000 2.512 313 H HA -0.085 4.471 4.556 0.000 0.000 0.279 313 H C 1.049 176.413 175.328 0.060 0.000 0.999 313 H CA 1.685 57.727 56.048 -0.009 0.000 1.283 313 H CB -0.240 29.523 29.762 0.003 0.000 1.421 313 H HN 0.258 nan 8.280 nan 0.000 0.554 314 F N -0.528 119.363 119.950 -0.097 0.000 2.775 314 F HA 0.390 4.917 4.527 0.000 0.000 0.313 314 F C 1.540 177.324 175.800 -0.027 0.000 1.121 314 F CA -0.717 57.201 58.000 -0.137 0.000 1.206 314 F CB 0.005 38.932 39.000 -0.122 0.000 1.052 314 F HN -0.048 nan 8.300 nan 0.000 0.524 315 R N 0.823 121.094 120.500 -0.381 0.000 2.237 315 R HA 0.037 4.377 4.340 0.000 0.000 0.219 315 R C -0.330 175.884 176.300 -0.143 0.000 1.080 315 R CA 0.816 56.698 56.100 -0.365 0.000 0.995 315 R CB -1.843 28.202 30.300 -0.426 0.000 0.875 315 R HN 0.234 nan 8.270 nan 0.000 0.462 316 T N 3.612 118.136 114.554 -0.050 0.000 2.909 316 T HA 0.226 4.576 4.350 0.000 0.000 0.289 316 T C -1.772 172.962 174.700 0.057 0.000 1.005 316 T CA -1.452 60.644 62.100 -0.006 0.000 1.084 316 T CB 1.949 70.824 68.868 0.012 0.000 0.975 316 T HN 0.051 nan 8.240 nan 0.000 0.509 317 P HA -0.022 nan 4.420 nan 0.000 0.218 317 P C 0.929 178.250 177.300 0.035 0.000 1.149 317 P CA 1.010 64.132 63.100 0.037 0.000 0.817 317 P CB 0.348 32.066 31.700 0.030 0.000 0.785 318 S N -1.983 113.756 115.700 0.066 0.000 2.665 318 S HA 0.038 4.508 4.470 0.000 0.000 0.240 318 S C 1.933 176.631 174.600 0.163 0.000 1.081 318 S CA 0.428 58.669 58.200 0.069 0.000 0.887 318 S CB -0.792 62.447 63.200 0.066 0.000 0.805 318 S HN 0.097 nan 8.310 nan 0.000 0.486 319 T N 2.536 117.177 114.554 0.146 0.000 2.708 319 T HA -0.089 4.261 4.350 0.000 0.000 0.266 319 T C 0.682 175.493 174.700 0.185 0.000 1.037 319 T CA 1.503 63.682 62.100 0.132 0.000 1.146 319 T CB -0.659 68.245 68.868 0.060 0.000 0.865 319 T HN 0.731 nan 8.240 nan 0.000 0.435 422 G N 2.689 111.502 108.800 0.023 0.000 2.395 422 G HA2 0.038 3.998 3.960 0.000 0.000 0.214 422 G HA3 0.038 3.998 3.960 0.000 0.000 0.214 422 G C 1.299 176.217 174.900 0.029 0.000 1.177 422 G CA 0.951 46.064 45.100 0.022 0.000 0.794 422 G HN 0.673 nan 8.290 nan 0.000 0.532 423 I N 0.424 121.009 120.570 0.026 0.000 2.264 423 I HA -0.113 4.057 4.170 0.000 0.000 0.248 423 I C 2.218 178.359 176.117 0.040 0.000 1.111 423 I CA 1.925 63.241 61.300 0.027 0.000 1.382 423 I CB -0.448 37.563 38.000 0.019 0.000 1.060 423 I HN 0.058 nan 8.210 nan 0.000 0.418 424 D N 1.393 121.821 120.400 0.048 0.000 2.117 424 D HA -0.145 4.495 4.640 0.000 0.000 0.198 424 D C 2.211 178.588 176.300 0.127 0.000 0.982 424 D CA 1.574 55.617 54.000 0.071 0.000 0.828 424 D CB 0.104 40.947 40.800 0.073 0.000 0.967 424 D HN 0.283 nan 8.370 nan 0.000 0.464 425 S N -0.782 114.979 115.700 0.101 0.000 2.365 425 S HA -0.188 4.282 4.470 0.000 0.000 0.225 425 S C 2.039 176.694 174.600 0.092 0.000 1.039 425 S CA 1.820 60.074 58.200 0.090 0.000 1.033 425 S CB -0.727 62.495 63.200 0.037 0.000 0.887 425 S HN 0.430 nan 8.310 nan 0.000 0.447 426 T N 2.493 117.087 114.554 0.066 0.000 2.708 426 T HA -0.036 4.314 4.350 0.000 0.000 0.266 426 T C 1.628 176.372 174.700 0.073 0.000 1.037 426 T CA 1.025 63.158 62.100 0.055 0.000 1.146 426 T CB -0.353 68.536 68.868 0.036 0.000 0.865 426 T HN 0.297 nan 8.240 nan 0.000 0.435 427 N N 0.202 118.948 118.700 0.077 0.000 2.409 427 N HA 0.018 4.758 4.740 0.000 0.000 0.179 427 N C 1.410 176.987 175.510 0.112 0.000 1.032 427 N CA 0.475 53.564 53.050 0.066 0.000 0.898 427 N CB -0.170 38.335 38.487 0.030 0.000 0.971 427 N HN 0.551 nan 8.380 nan 0.000 0.441 428 Y N 1.476 121.777 120.300 0.002 0.000 2.293 428 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 428 Y C 2.351 178.251 175.900 0.000 0.000 1.137 428 Y CA 0.512 58.613 58.100 0.002 0.000 1.202 428 Y CB 0.106 38.566 38.460 0.001 0.000 0.990 428 Y HN -0.019 nan 8.280 nan 0.000 0.537 429 I N -0.826 119.856 120.570 0.187 0.000 2.151 429 I HA -0.259 3.911 4.170 0.000 0.000 0.243 429 I C 1.767 177.937 176.117 0.089 0.000 1.080 429 I CA 1.959 63.312 61.300 0.088 0.000 1.339 429 I CB -1.347 36.681 38.000 0.046 0.000 1.039 429 I HN -0.002 nan 8.210 nan 0.000 0.409 430 V N 0.912 120.878 119.914 0.086 0.000 2.379 430 V HA -0.165 3.955 4.120 0.000 0.000 0.245 430 V C 2.520 178.655 176.094 0.070 0.000 1.044 430 V CA 2.169 64.505 62.300 0.060 0.000 1.036 430 V CB -1.567 30.280 31.823 0.041 0.000 0.664 430 V HN 0.444 nan 8.190 nan 0.000 0.453 431 K N 0.426 120.879 120.400 0.087 0.000 2.209 431 K HA -0.238 4.083 4.320 0.000 0.000 0.204 431 K C 2.223 178.893 176.600 0.117 0.000 1.048 431 K CA 1.632 57.961 56.287 0.070 0.000 0.940 431 K CB -0.214 32.284 32.500 -0.004 0.000 0.729 431 K HN 0.452 nan 8.250 nan 0.000 0.451 432 Q N 1.192 121.088 119.800 0.159 0.000 1.994 432 Q HA -0.022 4.318 4.340 0.000 0.000 0.198 432 Q C 1.968 178.006 176.000 0.062 0.000 0.976 432 Q CA 1.295 57.167 55.803 0.115 0.000 0.828 432 Q CB 0.014 28.800 28.738 0.080 0.000 0.894 432 Q HN 0.257 nan 8.270 nan 0.000 0.432 433 I N 1.124 121.725 120.570 0.052 0.000 2.335 433 I HA -0.325 3.845 4.170 0.000 0.000 0.251 433 I C 2.399 178.543 176.117 0.045 0.000 1.129 433 I CA 1.138 62.460 61.300 0.037 0.000 1.402 433 I CB -0.609 37.408 38.000 0.030 0.000 1.069 433 I HN 0.295 nan 8.210 nan 0.000 0.424 434 K N 2.068 122.500 120.400 0.053 0.000 1.972 434 K HA -0.271 4.049 4.320 0.000 0.000 0.227 434 K C 1.814 178.460 176.600 0.076 0.000 1.046 434 K CA 2.272 58.591 56.287 0.053 0.000 1.013 434 K CB -0.449 32.081 32.500 0.049 0.000 0.741 434 K HN 0.329 nan 8.250 nan 0.000 0.446 435 E N 0.731 120.992 120.200 0.101 0.000 2.065 435 E HA -0.230 4.120 4.350 0.000 0.000 0.201 435 E C 2.341 179.085 176.600 0.240 0.000 1.016 435 E CA 1.752 58.258 56.400 0.177 0.000 0.818 435 E CB -0.119 29.687 29.700 0.176 0.000 0.749 435 E HN 0.357 nan 8.360 nan 0.000 0.453 436 K N 0.526 120.988 120.400 0.103 0.000 2.015 436 K HA -0.186 4.134 4.320 0.000 0.000 0.220 436 K C 1.857 178.532 176.600 0.125 0.000 1.055 436 K CA 1.636 57.948 56.287 0.041 0.000 0.951 436 K CB -0.134 32.366 32.500 -0.000 0.000 0.725 436 K HN 0.084 nan 8.250 nan 0.000 0.449 437 N N -0.349 118.408 118.700 0.095 0.000 2.461 437 N HA -0.015 4.725 4.740 0.000 0.000 0.188 437 N C 1.153 176.714 175.510 0.084 0.000 1.134 437 N CA 0.427 53.526 53.050 0.081 0.000 0.878 437 N CB 0.356 38.869 38.487 0.044 0.000 0.972 437 N HN 0.211 nan 8.380 nan 0.000 0.456 438 A N -0.247 122.647 122.820 0.125 0.000 2.016 438 A HA -0.067 4.253 4.320 0.000 0.000 0.217 438 A C 1.526 179.121 177.584 0.018 0.000 1.162 438 A CA 0.674 52.742 52.037 0.052 0.000 0.662 438 A CB -0.362 18.677 19.000 0.064 0.000 0.812 438 A HN 0.209 nan 8.150 nan 0.000 0.450 439 Y N 0.585 120.872 120.300 -0.022 0.000 2.263 439 Y HA -0.135 4.415 4.550 0.000 0.000 0.292 439 Y C 2.248 178.136 175.900 -0.021 0.000 1.130 439 Y CA 1.163 59.261 58.100 -0.003 0.000 1.179 439 Y CB -0.164 38.323 38.460 0.045 0.000 0.998 439 Y HN 0.331 nan 8.280 nan 0.000 0.532 440 D N 0.219 120.699 120.400 0.133 0.000 2.077 440 D HA -0.182 4.458 4.640 0.000 0.000 0.193 440 D C 1.862 178.153 176.300 -0.016 0.000 0.989 440 D CA 1.687 55.725 54.000 0.062 0.000 0.831 440 D CB -0.279 40.551 40.800 0.049 0.000 0.979 440 D HN 0.401 nan 8.370 nan 0.000 0.449 441 E N 0.738 120.915 120.200 -0.038 0.000 2.136 441 E HA -0.234 4.117 4.350 0.000 0.000 0.208 441 E C 2.042 178.532 176.600 -0.184 0.000 1.035 441 E CA 1.266 57.613 56.400 -0.087 0.000 0.838 441 E CB -0.049 29.600 29.700 -0.085 0.000 0.748 441 E HN 0.319 nan 8.360 nan 0.000 0.459 442 E N 0.103 120.123 120.200 -0.301 0.000 2.216 442 E HA -0.080 4.270 4.350 0.000 0.000 0.192 442 E C 2.126 178.240 176.600 -0.809 0.000 0.988 442 E CA 0.360 56.381 56.400 -0.632 0.000 0.834 442 E CB 0.277 29.477 29.700 -0.834 0.000 0.772 442 E HN 0.115 nan 8.360 nan 0.000 0.479 443 V N 0.556 120.268 119.914 -0.337 0.000 2.568 443 V HA -0.219 3.901 4.120 0.000 0.000 0.253 443 V C 2.246 178.372 176.094 0.053 0.000 1.072 443 V CA 1.908 64.237 62.300 0.049 0.000 1.084 443 V CB -0.688 31.233 31.823 0.162 0.000 0.676 443 V HN 0.313 nan 8.190 nan 0.000 0.469 444 G N -0.216 108.542 108.800 -0.070 0.000 2.396 444 G HA2 -0.168 3.793 3.960 0.000 0.000 0.214 444 G HA3 -0.168 3.793 3.960 0.000 0.000 0.214 444 G C 1.344 176.233 174.900 -0.018 0.000 1.166 444 G CA 0.399 45.492 45.100 -0.012 0.000 0.793 444 G HN 0.510 nan 8.290 nan 0.000 0.533 445 N N 0.100 118.717 118.700 -0.138 0.000 2.459 445 N HA -0.048 4.692 4.740 0.000 0.000 0.181 445 N C 1.737 177.279 175.510 0.055 0.000 1.046 445 N CA 0.342 53.336 53.050 -0.094 0.000 0.904 445 N CB -0.275 38.094 38.487 -0.197 0.000 0.964 445 N HN 0.641 nan 8.380 nan 0.000 0.444 446 W N 1.428 122.721 121.300 -0.012 0.000 2.363 446 W HA -0.075 4.585 4.660 0.000 0.000 0.296 446 W C 1.778 178.291 176.519 -0.011 0.000 1.212 446 W CA 0.045 57.381 57.345 -0.014 0.000 1.260 446 W CB -0.004 29.448 29.460 -0.013 0.000 1.131 446 W HN 0.093 nan 8.180 nan 0.000 0.530 447 N N 0.304 119.147 118.700 0.238 0.000 2.207 447 N HA -0.075 4.665 4.740 0.000 0.000 0.182 447 N C 1.770 177.329 175.510 0.083 0.000 1.020 447 N CA 0.998 54.124 53.050 0.127 0.000 0.858 447 N CB -0.926 37.624 38.487 0.105 0.000 0.991 447 N HN 0.178 nan 8.380 nan 0.000 0.427 448 L N 1.071 122.339 121.223 0.076 0.000 2.077 448 L HA -0.253 4.087 4.340 0.000 0.000 0.231 448 L C 0.322 177.222 176.870 0.050 0.000 1.100 448 L CA 1.201 56.070 54.840 0.049 0.000 0.819 448 L CB -0.869 41.213 42.059 0.038 0.000 0.913 448 L HN -0.062 nan 8.230 nan 0.000 0.446 449 V N -0.354 119.600 119.914 0.067 0.000 5.673 449 V HA -0.208 3.913 4.120 0.000 0.000 0.301 449 V C 1.118 177.250 176.094 0.064 0.000 0.635 449 V CA 0.589 62.924 62.300 0.058 0.000 1.074 449 V CB -1.922 29.920 31.823 0.031 0.000 1.240 449 V HN 0.614 nan 8.190 nan 0.000 0.467 450 G N 1.395 110.234 108.800 0.064 0.000 2.762 450 G HA2 0.092 4.052 3.960 0.000 0.000 0.209 450 G HA3 0.092 4.052 3.960 0.000 0.000 0.209 450 G C 0.750 175.689 174.900 0.066 0.000 1.134 450 G CA 0.427 45.565 45.100 0.062 0.000 0.781 450 G HN 0.617 nan 8.290 nan 0.000 0.528 451 Q N -0.103 119.736 119.800 0.064 0.000 2.444 451 Q HA 0.169 4.509 4.340 0.000 0.000 0.206 451 Q C 2.086 178.129 176.000 0.072 0.000 0.948 451 Q CA 0.664 56.505 55.803 0.063 0.000 0.946 451 Q CB 0.367 29.138 28.738 0.055 0.000 1.027 451 Q HN 0.338 nan 8.270 nan 0.000 0.513 452 T N -0.985 113.617 114.554 0.081 0.000 3.014 452 T HA 0.170 4.520 4.350 0.000 0.000 0.250 452 T C 1.453 176.232 174.700 0.133 0.000 1.060 452 T CA -0.169 61.989 62.100 0.098 0.000 1.040 452 T CB 0.068 68.995 68.868 0.098 0.000 0.971 452 T HN 0.331 nan 8.240 nan 0.000 0.497 453 I N 2.354 122.994 120.570 0.116 0.000 2.044 453 I HA -0.307 3.863 4.170 0.000 0.000 0.234 453 I C 2.449 178.631 176.117 0.108 0.000 1.031 453 I CA 2.629 63.996 61.300 0.112 0.000 1.305 453 I CB -0.264 37.784 38.000 0.081 0.000 1.026 453 I HN 0.480 nan 8.210 nan 0.000 0.392 454 D N 1.299 121.757 120.400 0.097 0.000 2.116 454 D HA -0.300 4.341 4.640 0.000 0.000 0.193 454 D C 1.990 178.369 176.300 0.133 0.000 0.998 454 D CA 1.713 55.769 54.000 0.093 0.000 0.836 454 D CB -0.762 40.090 40.800 0.087 0.000 0.951 454 D HN 0.494 nan 8.370 nan 0.000 0.449 455 R N 1.551 122.168 120.500 0.195 0.000 2.117 455 R HA -0.115 4.225 4.340 0.000 0.000 0.243 455 R C 2.797 179.336 176.300 0.399 0.000 1.143 455 R CA 0.675 57.005 56.100 0.384 0.000 0.968 455 R CB -1.494 28.990 30.300 0.306 0.000 0.863 455 R HN 0.351 nan 8.270 nan 0.000 0.444 456 L N 1.228 122.574 121.223 0.206 0.000 1.955 456 L HA -0.128 4.212 4.340 0.000 0.000 0.213 456 L C 2.500 179.374 176.870 0.008 0.000 1.072 456 L CA 1.903 56.812 54.840 0.115 0.000 0.755 456 L CB -0.712 41.453 42.059 0.177 0.000 0.888 456 L HN 0.166 nan 8.230 nan 0.000 0.432 457 S N -0.767 114.925 115.700 -0.013 0.000 2.507 457 S HA -0.092 4.378 4.470 0.000 0.000 0.235 457 S C 1.780 176.287 174.600 -0.156 0.000 0.988 457 S CA 0.936 58.999 58.200 -0.228 0.000 0.944 457 S CB -0.092 62.837 63.200 -0.452 0.000 0.762 457 S HN 0.325 nan 8.310 nan 0.000 0.526 458 M N -0.029 119.561 119.600 -0.016 0.000 2.248 458 M HA 0.118 4.598 4.480 0.000 0.000 0.265 458 M C 0.426 176.620 176.300 -0.175 0.000 1.079 458 M CA 1.390 56.645 55.300 -0.075 0.000 1.150 458 M CB -0.028 32.522 32.600 -0.084 0.000 1.366 458 M HN 0.283 nan 8.290 nan 0.000 0.433 459 F N -0.360 119.530 119.950 -0.100 0.000 2.725 459 F HA 0.041 4.568 4.527 0.000 0.000 0.303 459 F C 1.379 177.064 175.800 -0.191 0.000 1.167 459 F CA -0.065 57.868 58.000 -0.111 0.000 1.403 459 F CB -0.051 38.899 39.000 -0.083 0.000 1.077 459 F HN 0.113 nan 8.300 nan 0.000 0.537 460 I N -0.698 119.796 120.570 -0.125 0.000 3.300 460 I HA 0.001 4.171 4.170 0.000 0.000 0.279 460 I C 2.003 178.044 176.117 -0.127 0.000 1.172 460 I CA 0.661 61.813 61.300 -0.247 0.000 1.431 460 I CB -0.080 37.661 38.000 -0.431 0.000 1.240 460 I HN -0.016 nan 8.210 nan 0.000 0.453 461 I N -0.010 120.508 120.570 -0.088 0.000 2.142 461 I HA -0.294 3.876 4.170 0.000 0.000 0.240 461 I C 2.284 178.368 176.117 -0.055 0.000 1.078 461 I CA 1.626 62.913 61.300 -0.021 0.000 1.343 461 I CB -0.728 37.279 38.000 0.011 0.000 1.046 461 I HN 0.174 nan 8.210 nan 0.000 0.405 462 T N 1.853 116.341 114.554 -0.111 0.000 2.607 462 T HA -0.131 4.219 4.350 0.000 0.000 0.267 462 T C -0.396 174.266 174.700 -0.065 0.000 1.049 462 T CA 1.942 63.971 62.100 -0.118 0.000 1.162 462 T CB -1.685 67.050 68.868 -0.221 0.000 0.863 462 T HN 0.327 nan 8.240 nan 0.000 0.424 463 P HA -0.046 nan 4.420 nan 0.000 0.215 463 P C 1.860 179.145 177.300 -0.025 0.000 1.157 463 P CA 0.797 63.877 63.100 -0.033 0.000 0.868 463 P CB -0.424 31.253 31.700 -0.038 0.000 0.788 464 V N 0.371 120.268 119.914 -0.028 0.000 2.380 464 V HA -0.248 3.872 4.120 0.000 0.000 0.251 464 V C 2.612 178.706 176.094 0.001 0.000 1.063 464 V CA 2.352 64.650 62.300 -0.004 0.000 1.055 464 V CB -1.064 30.767 31.823 0.013 0.000 0.657 464 V HN 0.039 nan 8.190 nan 0.000 0.455 465 M N -0.718 118.876 119.600 -0.010 0.000 2.132 465 M HA -0.107 4.374 4.480 0.000 0.000 0.263 465 M C 2.022 178.319 176.300 -0.005 0.000 1.065 465 M CA 2.582 57.876 55.300 -0.009 0.000 1.122 465 M CB -0.261 32.327 32.600 -0.020 0.000 1.365 465 M HN 0.324 nan 8.290 nan 0.000 0.411 466 V N 2.106 122.011 119.914 -0.016 0.000 2.223 466 V HA -0.299 3.821 4.120 0.000 0.000 0.244 466 V C 2.654 178.742 176.094 -0.011 0.000 1.045 466 V CA 2.181 64.467 62.300 -0.023 0.000 1.000 466 V CB -1.675 30.129 31.823 -0.031 0.000 0.635 466 V HN 0.682 nan 8.190 nan 0.000 0.445 467 L N 0.806 122.032 121.223 0.005 0.000 1.994 467 L HA 0.138 4.478 4.340 0.000 0.000 0.208 467 L C 2.588 179.499 176.870 0.068 0.000 1.071 467 L CA 2.218 57.080 54.840 0.036 0.000 0.745 467 L CB -1.899 40.188 42.059 0.046 0.000 0.892 467 L HN 0.286 nan 8.230 nan 0.000 0.431 468 G N -0.322 108.508 108.800 0.049 0.000 2.505 468 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 468 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 468 G C 1.488 176.385 174.900 -0.005 0.000 1.145 468 G CA 1.608 46.726 45.100 0.030 0.000 0.761 468 G HN 0.456 nan 8.290 nan 0.000 0.571 469 T N 1.265 115.831 114.554 0.020 0.000 2.812 469 T HA 0.010 4.360 4.350 0.000 0.000 0.264 469 T C 2.371 177.153 174.700 0.137 0.000 1.042 469 T CA 0.514 62.650 62.100 0.060 0.000 1.140 469 T CB -0.083 68.846 68.868 0.102 0.000 0.870 469 T HN 0.058 nan 8.240 nan 0.000 0.445 470 I N 1.475 122.090 120.570 0.075 0.000 2.185 470 I HA -0.190 3.980 4.170 0.000 0.000 0.246 470 I C 1.961 178.148 176.117 0.116 0.000 1.088 470 I CA 1.515 62.834 61.300 0.032 0.000 1.347 470 I CB -1.138 36.848 38.000 -0.024 0.000 1.041 470 I HN 0.352 nan 8.210 nan 0.000 0.415 471 F N 2.363 122.262 119.950 -0.085 0.000 2.009 471 F HA -0.233 4.294 4.527 0.000 0.000 0.293 471 F C 2.597 178.271 175.800 -0.210 0.000 1.156 471 F CA 1.807 59.686 58.000 -0.201 0.000 1.168 471 F CB -0.256 38.671 39.000 -0.122 0.000 0.981 471 F HN 0.023 nan 8.300 nan 0.000 0.475 472 I N -1.023 119.448 120.570 -0.165 0.000 3.010 472 I HA -0.210 3.960 4.170 0.000 0.000 0.271 472 I C 1.904 177.934 176.117 -0.144 0.000 1.293 472 I CA 1.073 62.202 61.300 -0.286 0.000 1.452 472 I CB -0.877 36.862 38.000 -0.435 0.000 1.082 472 I HN 0.329 nan 8.210 nan 0.000 0.484 473 F N 1.087 120.939 119.950 -0.164 0.000 2.149 473 F HA -0.059 4.468 4.527 0.000 0.000 0.294 473 F C 2.237 177.902 175.800 -0.225 0.000 1.095 473 F CA 1.555 59.460 58.000 -0.158 0.000 1.276 473 F CB 0.064 39.003 39.000 -0.102 0.000 1.023 473 F HN -0.120 nan 8.300 nan 0.000 0.480 474 V N 1.856 121.805 119.914 0.058 0.000 2.427 474 V HA -0.351 3.769 4.120 0.000 0.000 0.248 474 V C 2.496 178.155 176.094 -0.725 0.000 1.051 474 V CA 1.806 64.000 62.300 -0.177 0.000 1.048 474 V CB -0.767 30.911 31.823 -0.242 0.000 0.666 474 V HN 0.556 nan 8.190 nan 0.000 0.456 475 M N 1.213 120.406 119.600 -0.678 0.000 2.113 475 M HA -0.187 4.293 4.480 0.000 0.000 0.255 475 M C 2.022 177.401 176.300 -1.536 0.000 1.073 475 M CA 2.972 57.559 55.300 -1.188 0.000 1.091 475 M CB -1.145 31.332 32.600 -0.205 0.000 1.309 475 M HN 0.291 nan 8.290 nan 0.000 0.407 476 G N 1.129 109.523 108.800 -0.678 0.000 2.404 476 G HA2 -0.282 3.678 3.960 0.000 0.000 0.215 476 G HA3 -0.282 3.678 3.960 0.000 0.000 0.215 476 G C 1.020 175.710 174.900 -0.350 0.000 1.174 476 G CA 1.007 45.845 45.100 -0.436 0.000 0.780 476 G HN 0.770 nan 8.290 nan 0.000 0.537 477 N N 1.046 119.571 118.700 -0.292 0.000 2.588 477 N HA -0.075 4.665 4.740 0.000 0.000 0.190 477 N C 1.433 176.964 175.510 0.035 0.000 1.094 477 N CA 1.560 54.561 53.050 -0.082 0.000 0.921 477 N CB -0.439 38.085 38.487 0.062 0.000 0.959 477 N HN 0.520 nan 8.380 nan 0.000 0.448 478 F N -1.349 118.628 119.950 0.044 0.000 2.746 478 F HA 0.449 4.976 4.527 0.000 0.000 0.313 478 F C 1.401 177.164 175.800 -0.061 0.000 1.095 478 F CA -1.056 56.982 58.000 0.064 0.000 1.224 478 F CB -1.015 38.093 39.000 0.180 0.000 1.060 478 F HN 0.081 nan 8.300 nan 0.000 0.584 479 N N 0.635 119.555 118.700 0.366 0.000 2.416 479 N HA -0.051 4.689 4.740 0.000 0.000 0.177 479 N C 1.785 177.291 175.510 -0.008 0.000 1.036 479 N CA 0.746 53.885 53.050 0.148 0.000 0.901 479 N CB 0.080 38.575 38.487 0.013 0.000 0.976 479 N HN 0.176 nan 8.380 nan 0.000 0.444 480 R N 0.486 120.980 120.500 -0.010 0.000 2.066 480 R HA 0.052 4.392 4.340 0.000 0.000 0.224 480 R C -0.742 175.557 176.300 -0.002 0.000 1.122 480 R CA 1.085 57.170 56.100 -0.026 0.000 0.974 480 R CB -1.654 28.622 30.300 -0.041 0.000 0.871 480 R HN 0.414 nan 8.270 nan 0.000 0.435 481 P HA -0.023 nan 4.420 nan 0.000 0.223 481 P C -1.674 175.646 177.300 0.033 0.000 1.151 481 P CA 1.329 64.457 63.100 0.047 0.000 0.787 481 P CB -0.628 31.125 31.700 0.088 0.000 0.788 482 P HA 0.065 nan 4.420 nan 0.000 0.224 482 P C 1.434 178.715 177.300 -0.032 0.000 1.159 482 P CA 0.995 64.077 63.100 -0.029 0.000 0.824 482 P CB -0.198 31.396 31.700 -0.177 0.000 0.833 483 A N -0.038 122.753 122.820 -0.048 0.000 2.235 483 A HA 0.004 4.324 4.320 0.000 0.000 0.208 483 A C 1.450 179.024 177.584 -0.016 0.000 1.172 483 A CA 0.215 52.230 52.037 -0.036 0.000 0.786 483 A CB -0.860 18.112 19.000 -0.046 0.000 0.804 483 A HN 0.164 nan 8.150 nan 0.000 0.479 484 K N 0.000 120.398 120.400 -0.004 0.000 2.780 484 K HA 0.000 4.320 4.320 0.000 0.000 0.191 484 K CA 0.000 56.291 56.287 0.007 0.000 0.838 484 K CB 0.000 32.511 32.500 0.018 0.000 1.064 484 K HN 0.000 nan 8.250 nan 0.000 0.543