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 2ijz_1_J DATA FIRST_RESID 9 DATA SEQUENCE LIDFLKASPT PFHATASLAR RLEAAGYRRL DEXXXXXXXX GGRYYVTRND DATA SEQUENCE SSLIAIRLGX XSPLESGFRL VGAHTDSPCL RVKPNPEIAR NGFLQLGVEV DATA SEQUENCE YGGALFAPWF DRDLSLAGRV TFRANGKLES RLVDFRKAIA VIPNLNXXXX DATA SEQUENCE XXXXXXXPIN AQNELPPIIA QLAPGEXXXX XXXXXXXXXX XXXXTADVVL DATA SEQUENCE DYELSFYDTQ SAAVVGLNDE FIAGARLDNL LSCHAGLEAL LNAEGDENCI DATA SEQUENCE LVCTDHEEVG SCSHCGADGP FLEQVLRRLL PEGDAFSRAI QRSLLVSADN DATA SEQUENCE AHGVHPNYAD RHDANHGPAL NGGPVIKINS NQRYATNSET AGFFRHLCQD DATA SEQUENCE SEVPVQSFVT RSDMGCGSTI GPITASQVGV RTVDIGLPTF AMHSIRELAG DATA SEQUENCE SHDLAHLVKV LGAFYASS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.836 176.870 -0.057 0.000 1.165 9 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 1.605 122.115 120.570 -0.100 0.000 2.796 10 I HA 0.545 4.715 4.170 0.001 0.000 0.279 10 I C -0.496 175.605 176.117 -0.028 0.000 1.289 10 I CA -0.198 61.072 61.300 -0.049 0.000 1.021 10 I CB 0.966 38.932 38.000 -0.057 0.000 1.414 10 I HN 0.772 nan 8.210 nan 0.000 0.562 11 D N 5.116 125.526 120.400 0.018 0.000 3.072 11 D HA 0.127 4.768 4.640 0.001 0.000 0.250 11 D C 0.310 176.681 176.300 0.118 0.000 1.304 11 D CA 0.223 54.244 54.000 0.034 0.000 0.861 11 D CB 0.284 41.099 40.800 0.026 0.000 1.062 11 D HN 0.527 nan 8.370 nan 0.000 0.481 12 F N 0.197 120.116 119.950 -0.052 0.000 2.581 12 F HA 0.184 4.711 4.527 0.001 0.000 0.278 12 F C 1.356 177.126 175.800 -0.050 0.000 1.000 12 F CA -0.027 57.948 58.000 -0.043 0.000 1.230 12 F CB 0.143 39.119 39.000 -0.039 0.000 1.008 12 F HN 0.024 nan 8.300 nan 0.000 0.695 13 L N -0.326 120.853 121.223 -0.073 0.000 2.418 13 L HA 0.211 4.552 4.340 0.001 0.000 0.218 13 L C 1.855 178.630 176.870 -0.158 0.000 1.125 13 L CA 1.026 55.762 54.840 -0.172 0.000 0.835 13 L CB -0.445 41.574 42.059 -0.067 0.000 0.953 13 L HN 0.063 nan 8.230 nan 0.000 0.454 14 K N 1.650 121.986 120.400 -0.107 0.000 2.243 14 K HA 0.150 4.471 4.320 0.001 0.000 0.201 14 K C 1.611 178.162 176.600 -0.082 0.000 1.051 14 K CA 1.146 57.384 56.287 -0.081 0.000 0.970 14 K CB -0.080 32.389 32.500 -0.053 0.000 0.755 14 K HN 0.401 nan 8.250 nan 0.000 0.465 15 A N -0.273 122.478 122.820 -0.115 0.000 2.359 15 A HA 0.194 4.515 4.320 0.001 0.000 0.240 15 A C 1.082 178.558 177.584 -0.180 0.000 1.306 15 A CA 0.185 52.153 52.037 -0.115 0.000 0.898 15 A CB -0.187 18.759 19.000 -0.090 0.000 0.956 15 A HN 0.248 nan 8.150 nan 0.000 0.497 16 S N 0.471 116.050 115.700 -0.201 0.000 2.591 16 S HA 0.074 4.545 4.470 0.001 0.000 0.235 16 S C -0.778 173.728 174.600 -0.158 0.000 1.074 16 S CA 0.601 58.672 58.200 -0.216 0.000 0.925 16 S CB -0.363 62.666 63.200 -0.283 0.000 0.818 16 S HN 0.545 nan 8.310 nan 0.000 0.535 17 P HA 0.084 nan 4.420 nan 0.000 0.231 17 P C 0.932 178.108 177.300 -0.206 0.000 1.168 17 P CA 1.052 64.006 63.100 -0.243 0.000 0.779 17 P CB -0.282 31.252 31.700 -0.277 0.000 0.844 18 T N 1.390 115.921 114.554 -0.039 0.000 2.643 18 T HA -0.038 4.313 4.350 0.001 0.000 0.264 18 T C -0.645 174.080 174.700 0.041 0.000 1.045 18 T CA 2.243 64.378 62.100 0.059 0.000 1.155 18 T CB -1.786 67.107 68.868 0.042 0.000 0.863 18 T HN 0.251 nan 8.240 nan 0.000 0.420 19 P HA 0.052 nan 4.420 nan 0.000 0.225 19 P C 1.125 178.431 177.300 0.010 0.000 1.156 19 P CA 0.449 63.551 63.100 0.003 0.000 0.787 19 P CB -0.137 31.555 31.700 -0.014 0.000 0.802 20 F N 0.446 120.301 119.950 -0.158 0.000 2.084 20 F HA -0.191 4.336 4.527 0.001 0.000 0.296 20 F C 2.193 177.917 175.800 -0.128 0.000 1.111 20 F CA 1.783 59.670 58.000 -0.188 0.000 1.224 20 F CB -0.958 37.871 39.000 -0.285 0.000 0.991 20 F HN -0.009 nan 8.300 nan 0.000 0.471 21 H N -0.566 118.461 119.070 -0.072 0.000 2.422 21 H HA -0.080 4.477 4.556 0.001 0.000 0.298 21 H C 2.316 177.542 175.328 -0.171 0.000 1.098 21 H CA 0.865 56.819 56.048 -0.157 0.000 1.315 21 H CB -0.273 29.484 29.762 -0.008 0.000 1.382 21 H HN 0.391 nan 8.280 nan 0.000 0.523 22 A N 0.394 123.213 122.820 -0.002 0.000 1.930 22 A HA -0.179 4.141 4.320 0.001 0.000 0.217 22 A C 2.467 179.995 177.584 -0.093 0.000 1.175 22 A CA 1.887 53.905 52.037 -0.032 0.000 0.627 22 A CB -0.769 18.224 19.000 -0.011 0.000 0.815 22 A HN 0.571 nan 8.150 nan 0.000 0.443 23 T N -2.982 111.479 114.554 -0.156 0.000 3.009 23 T HA 0.352 4.702 4.350 0.001 0.000 0.258 23 T C 1.287 175.815 174.700 -0.287 0.000 1.063 23 T CA 0.812 62.797 62.100 -0.191 0.000 1.139 23 T CB -0.255 68.508 68.868 -0.175 0.000 0.890 23 T HN 0.574 nan 8.240 nan 0.000 0.471 24 A N 2.258 124.796 122.820 -0.471 0.000 3.019 24 A HA 0.516 4.836 4.320 0.001 0.000 0.262 24 A C 2.035 179.468 177.584 -0.253 0.000 1.509 24 A CA 0.177 51.900 52.037 -0.523 0.000 1.159 24 A CB -0.927 17.391 19.000 -1.136 0.000 1.042 24 A HN 0.584 nan 8.150 nan 0.000 0.641 25 S N -0.598 114.997 115.700 -0.175 0.000 2.399 25 S HA 0.002 4.473 4.470 0.001 0.000 0.231 25 S C 0.676 175.212 174.600 -0.107 0.000 1.022 25 S CA 0.980 59.111 58.200 -0.116 0.000 0.983 25 S CB -0.320 62.818 63.200 -0.103 0.000 0.803 25 S HN 0.505 nan 8.310 nan 0.000 0.480 26 L N -1.002 120.154 121.223 -0.112 0.000 2.171 26 L HA 0.830 5.171 4.340 0.001 0.000 0.253 26 L C 1.307 178.148 176.870 -0.048 0.000 1.054 26 L CA 0.019 54.807 54.840 -0.087 0.000 0.927 26 L CB 0.576 42.567 42.059 -0.113 0.000 1.513 26 L HN -0.024 nan 8.230 nan 0.000 0.471 27 A N -0.016 122.799 122.820 -0.009 0.000 1.897 27 A HA -0.093 4.227 4.320 0.001 0.000 0.215 27 A C 1.887 179.494 177.584 0.039 0.000 1.181 27 A CA 1.729 53.791 52.037 0.042 0.000 0.620 27 A CB -0.586 18.464 19.000 0.084 0.000 0.821 27 A HN 0.742 nan 8.150 nan 0.000 0.443 28 R N -1.784 118.731 120.500 0.025 0.000 2.210 28 R HA 0.141 4.481 4.340 0.001 0.000 0.203 28 R C 1.644 177.949 176.300 0.008 0.000 1.010 28 R CA 0.372 56.495 56.100 0.037 0.000 1.008 28 R CB -0.155 30.172 30.300 0.046 0.000 0.923 28 R HN 0.173 nan 8.270 nan 0.000 0.469 29 R N 1.036 121.512 120.500 -0.041 0.000 2.153 29 R HA 0.054 4.394 4.340 0.001 0.000 0.218 29 R C 2.095 178.309 176.300 -0.143 0.000 1.072 29 R CA 0.548 56.595 56.100 -0.087 0.000 0.990 29 R CB -0.508 29.725 30.300 -0.111 0.000 0.889 29 R HN 0.313 nan 8.270 nan 0.000 0.452 30 L N 0.986 122.134 121.223 -0.124 0.000 2.072 30 L HA -0.136 4.205 4.340 0.001 0.000 0.205 30 L C 2.328 179.190 176.870 -0.015 0.000 1.079 30 L CA 1.403 56.156 54.840 -0.146 0.000 0.752 30 L CB -0.108 41.925 42.059 -0.044 0.000 0.906 30 L HN 0.037 nan 8.230 nan 0.000 0.436 31 E N 0.011 120.233 120.200 0.036 0.000 2.077 31 E HA -0.232 4.118 4.350 0.001 0.000 0.193 31 E C 2.025 178.680 176.600 0.092 0.000 0.989 31 E CA 1.557 58.022 56.400 0.108 0.000 0.800 31 E CB -0.135 29.649 29.700 0.139 0.000 0.746 31 E HN 0.554 nan 8.360 nan 0.000 0.452 32 A N 0.602 123.414 122.820 -0.013 0.000 1.873 32 A HA -0.031 4.290 4.320 0.001 0.000 0.215 32 A C 2.384 179.686 177.584 -0.471 0.000 1.186 32 A CA 1.869 53.754 52.037 -0.252 0.000 0.616 32 A CB -0.915 18.016 19.000 -0.115 0.000 0.823 32 A HN 0.372 nan 8.150 nan 0.000 0.442 33 A N -0.656 122.019 122.820 -0.242 0.000 2.119 33 A HA 0.255 4.576 4.320 0.001 0.000 0.217 33 A C 2.193 179.783 177.584 0.011 0.000 1.153 33 A CA 1.547 53.492 52.037 -0.153 0.000 0.692 33 A CB -1.001 17.866 19.000 -0.221 0.000 0.799 33 A HN 0.625 nan 8.150 nan 0.000 0.458 34 G N -0.152 108.655 108.800 0.012 0.000 2.454 34 G HA2 -0.183 3.778 3.960 0.001 0.000 0.214 34 G HA3 -0.183 3.778 3.960 0.001 0.000 0.214 34 G C 1.478 176.326 174.900 -0.088 0.000 1.217 34 G CA 1.156 46.288 45.100 0.054 0.000 0.799 34 G HN 0.825 nan 8.290 nan 0.000 0.538 35 Y N 0.084 120.290 120.300 -0.157 0.000 2.516 35 Y HA 0.302 4.852 4.550 0.001 0.000 0.291 35 Y C 2.653 178.453 175.900 -0.168 0.000 1.131 35 Y CA 0.512 58.402 58.100 -0.350 0.000 1.281 35 Y CB -0.153 38.004 38.460 -0.506 0.000 1.013 35 Y HN -0.002 nan 8.280 nan 0.000 0.554 36 R N 0.444 120.682 120.500 -0.436 0.000 2.115 36 R HA -0.081 4.259 4.340 0.001 0.000 0.230 36 R C 2.380 178.629 176.300 -0.085 0.000 1.111 36 R CA 1.393 57.351 56.100 -0.236 0.000 0.976 36 R CB -0.164 29.960 30.300 -0.294 0.000 0.870 36 R HN 0.381 nan 8.270 nan 0.000 0.445 37 R N 0.415 120.864 120.500 -0.086 0.000 2.146 37 R HA 0.037 4.377 4.340 0.001 0.000 0.206 37 R C 0.440 176.711 176.300 -0.049 0.000 1.049 37 R CA 0.180 56.248 56.100 -0.055 0.000 1.029 37 R CB 0.089 30.352 30.300 -0.061 0.000 0.949 37 R HN 0.032 nan 8.270 nan 0.000 0.471 38 L N 3.948 125.125 121.223 -0.077 0.000 2.376 38 L HA 0.100 4.441 4.340 0.001 0.000 0.250 38 L C -1.553 175.290 176.870 -0.045 0.000 1.335 38 L CA 0.421 55.212 54.840 -0.083 0.000 1.214 38 L CB -0.260 41.717 42.059 -0.136 0.000 1.395 38 L HN 0.171 nan 8.230 nan 0.000 0.424 39 D N 2.484 122.897 120.400 0.022 0.000 2.804 39 D HA 0.250 4.890 4.640 0.001 0.000 0.209 39 D C -0.738 175.595 176.300 0.056 0.000 1.314 39 D CA -0.507 53.550 54.000 0.094 0.000 0.894 39 D CB 1.055 41.958 40.800 0.171 0.000 1.615 39 D HN 0.076 nan 8.370 nan 0.000 0.571 50 G N 0.154 108.875 108.800 -0.132 0.000 2.502 50 G HA2 0.658 4.618 3.960 0.001 0.000 0.305 50 G HA3 0.658 4.618 3.960 0.001 0.000 0.305 50 G C 0.233 174.860 174.900 -0.454 0.000 1.190 50 G CA -0.893 43.939 45.100 -0.447 0.000 0.933 50 G HN 0.675 nan 8.290 nan 0.000 0.503 51 R N -1.010 119.053 120.500 -0.729 0.000 2.522 51 R HA 0.238 4.578 4.340 0.001 0.000 0.373 51 R C -1.219 174.952 176.300 -0.216 0.000 1.062 51 R CA -0.827 55.076 56.100 -0.328 0.000 1.167 51 R CB -1.157 29.036 30.300 -0.179 0.000 1.378 51 R HN 0.406 nan 8.270 nan 0.000 0.662 52 Y N 1.036 121.380 120.300 0.074 0.000 2.299 52 Y HA 0.488 5.039 4.550 0.001 0.000 0.335 52 Y C 0.467 176.447 175.900 0.133 0.000 1.287 52 Y CA -0.813 57.310 58.100 0.039 0.000 1.424 52 Y CB 0.443 38.886 38.460 -0.027 0.000 1.326 52 Y HN 0.264 nan 8.280 nan 0.000 0.567 53 Y N -2.627 117.784 120.300 0.186 0.000 2.534 53 Y HA 0.778 5.328 4.550 0.001 0.000 0.345 53 Y C -1.847 174.092 175.900 0.066 0.000 1.031 53 Y CA -1.842 56.324 58.100 0.111 0.000 1.022 53 Y CB 0.655 39.169 38.460 0.089 0.000 1.292 53 Y HN 0.330 nan 8.280 nan 0.000 0.459 54 V N 2.404 122.435 119.914 0.195 0.000 2.513 54 V HA 0.426 4.546 4.120 0.001 0.000 0.299 54 V C -0.037 176.146 176.094 0.149 0.000 1.035 54 V CA -0.150 62.202 62.300 0.086 0.000 0.889 54 V CB 1.532 33.382 31.823 0.044 0.000 0.988 54 V HN 1.100 nan 8.190 nan 0.000 0.440 55 T N 1.649 116.255 114.554 0.087 0.000 3.026 55 T HA 0.168 4.519 4.350 0.001 0.000 0.245 55 T C 1.436 176.157 174.700 0.035 0.000 1.004 55 T CA 0.477 62.630 62.100 0.088 0.000 1.069 55 T CB 0.153 69.055 68.868 0.058 0.000 1.005 55 T HN 0.676 nan 8.240 nan 0.000 0.472 56 R N 0.971 121.471 120.500 -0.000 0.000 3.692 56 R HA -0.323 4.018 4.340 0.001 0.000 0.302 56 R C 1.130 177.415 176.300 -0.024 0.000 0.595 56 R CA 2.217 58.304 56.100 -0.021 0.000 1.154 56 R CB -1.537 28.748 30.300 -0.026 0.000 0.832 56 R HN 0.420 nan 8.270 nan 0.000 0.575 57 N N 1.178 119.867 118.700 -0.019 0.000 2.449 57 N HA -0.072 4.669 4.740 0.001 0.000 0.191 57 N C -0.693 174.807 175.510 -0.017 0.000 1.161 57 N CA 1.066 54.096 53.050 -0.033 0.000 0.863 57 N CB 0.135 38.600 38.487 -0.037 0.000 0.980 57 N HN 0.371 nan 8.380 nan 0.000 0.458 58 D N -0.620 119.787 120.400 0.012 0.000 2.981 58 D HA -0.132 4.509 4.640 0.001 0.000 0.223 58 D C 0.002 176.341 176.300 0.066 0.000 1.151 58 D CA 0.799 54.825 54.000 0.043 0.000 0.827 58 D CB -1.354 39.464 40.800 0.029 0.000 1.101 58 D HN 0.278 nan 8.370 nan 0.000 0.426 59 S N -1.766 113.974 115.700 0.066 0.000 2.546 59 S HA 0.090 4.561 4.470 0.001 0.000 0.282 59 S C 0.217 174.880 174.600 0.105 0.000 1.074 59 S CA -0.183 58.068 58.200 0.085 0.000 1.254 59 S CB 1.161 64.408 63.200 0.078 0.000 1.103 59 S HN 0.102 nan 8.310 nan 0.000 0.589 60 S N 2.242 117.997 115.700 0.091 0.000 2.520 60 S HA 0.598 5.069 4.470 0.001 0.000 0.324 60 S C -0.993 173.665 174.600 0.096 0.000 1.069 60 S CA -0.385 57.879 58.200 0.105 0.000 1.121 60 S CB 1.299 64.546 63.200 0.079 0.000 0.971 60 S HN 0.288 nan 8.310 nan 0.000 0.463 61 L N 4.737 126.024 121.223 0.107 0.000 2.309 61 L HA 0.651 4.991 4.340 0.001 0.000 0.282 61 L C -1.082 175.862 176.870 0.125 0.000 1.036 61 L CA -0.298 54.616 54.840 0.123 0.000 0.806 61 L CB 0.871 42.999 42.059 0.115 0.000 1.220 61 L HN 0.587 nan 8.230 nan 0.000 0.429 62 I N 5.017 125.679 120.570 0.153 0.000 2.439 62 I HA 0.486 4.656 4.170 0.001 0.000 0.283 62 I C -0.402 175.831 176.117 0.192 0.000 1.023 62 I CA -0.553 60.842 61.300 0.159 0.000 1.100 62 I CB 1.813 39.900 38.000 0.145 0.000 1.238 62 I HN 0.709 nan 8.210 nan 0.000 0.445 63 A N 8.007 130.930 122.820 0.173 0.000 2.280 63 A HA 0.759 5.080 4.320 0.001 0.000 0.320 63 A C -0.495 177.183 177.584 0.156 0.000 1.366 63 A CA -0.310 51.836 52.037 0.182 0.000 0.938 63 A CB -0.129 18.942 19.000 0.119 0.000 1.157 63 A HN 0.598 nan 8.150 nan 0.000 0.536 64 I N 2.171 122.851 120.570 0.183 0.000 2.385 64 I HA 0.547 4.717 4.170 0.001 0.000 0.294 64 I C 0.614 176.803 176.117 0.121 0.000 0.988 64 I CA -0.304 61.106 61.300 0.185 0.000 1.265 64 I CB 1.223 39.368 38.000 0.243 0.000 1.388 64 I HN 0.620 nan 8.210 nan 0.000 0.480 65 R N 6.647 127.198 120.500 0.085 0.000 2.538 65 R HA 0.610 4.950 4.340 0.001 0.000 0.292 65 R C -2.005 174.300 176.300 0.007 0.000 1.008 65 R CA -0.596 55.499 56.100 -0.009 0.000 0.896 65 R CB 1.374 31.625 30.300 -0.081 0.000 1.187 65 R HN 0.692 nan 8.270 nan 0.000 0.440 66 L N 2.765 123.979 121.223 -0.015 0.000 2.334 66 L HA 0.746 5.086 4.340 0.001 0.000 0.275 66 L C 0.770 177.617 176.870 -0.039 0.000 1.036 66 L CA -0.729 54.108 54.840 -0.006 0.000 0.807 66 L CB 2.035 44.118 42.059 0.039 0.000 1.231 66 L HN 0.830 nan 8.230 nan 0.000 0.438 71 P HA 0.243 nan 4.420 nan 0.000 0.262 71 P C 0.965 178.228 177.300 -0.062 0.000 1.647 71 P CA 0.026 63.078 63.100 -0.080 0.000 0.865 71 P CB -0.172 31.484 31.700 -0.073 0.000 1.834 72 L N 0.135 121.326 121.223 -0.053 0.000 3.572 72 L HA -0.335 4.005 4.340 0.001 0.000 0.053 72 L C 1.181 178.035 176.870 -0.026 0.000 4.349 72 L CA 2.716 57.546 54.840 -0.016 0.000 0.629 72 L CB -1.312 40.749 42.059 0.004 0.000 3.504 72 L HN 0.338 nan 8.230 nan 0.000 0.812 73 E N -0.471 119.713 120.200 -0.027 0.000 2.368 73 E HA 0.182 4.532 4.350 0.001 0.000 0.188 73 E C 1.360 177.938 176.600 -0.037 0.000 1.061 73 E CA 0.776 57.163 56.400 -0.023 0.000 0.933 73 E CB 0.442 30.135 29.700 -0.012 0.000 1.091 73 E HN 0.536 nan 8.360 nan 0.000 0.458 74 S N -0.049 115.611 115.700 -0.067 0.000 2.506 74 S HA 0.343 4.813 4.470 0.001 0.000 0.219 74 S C 0.984 175.526 174.600 -0.096 0.000 1.031 74 S CA 0.682 58.834 58.200 -0.081 0.000 0.911 74 S CB -0.041 63.094 63.200 -0.108 0.000 0.812 74 S HN 0.625 nan 8.310 nan 0.000 0.497 75 G N 0.440 109.169 108.800 -0.117 0.000 2.741 75 G HA2 -0.190 3.770 3.960 0.001 0.000 0.222 75 G HA3 -0.190 3.770 3.960 0.001 0.000 0.222 75 G C -0.596 174.192 174.900 -0.186 0.000 1.364 75 G CA -0.298 44.753 45.100 -0.081 0.000 0.866 75 G HN 0.391 nan 8.290 nan 0.000 0.555 76 F N -0.135 119.817 119.950 0.003 0.000 2.575 76 F HA 0.770 5.298 4.527 0.001 0.000 0.330 76 F C 1.084 176.911 175.800 0.044 0.000 1.056 76 F CA -0.916 57.100 58.000 0.027 0.000 0.964 76 F CB 1.988 41.013 39.000 0.041 0.000 1.258 76 F HN 0.252 nan 8.300 nan 0.000 0.484 77 R N 3.043 123.735 120.500 0.321 0.000 2.868 77 R HA 0.333 4.674 4.340 0.001 0.000 0.289 77 R C -1.438 175.139 176.300 0.463 0.000 1.443 77 R CA -0.517 55.723 56.100 0.234 0.000 1.651 77 R CB -0.077 30.132 30.300 -0.152 0.000 1.242 77 R HN 0.458 nan 8.270 nan 0.000 0.621 78 L N 0.394 121.864 121.223 0.411 0.000 2.439 78 L HA 0.413 4.753 4.340 0.001 0.000 0.269 78 L C 0.557 177.602 176.870 0.291 0.000 1.179 78 L CA -0.097 54.916 54.840 0.288 0.000 0.828 78 L CB 0.778 42.900 42.059 0.105 0.000 1.106 78 L HN -0.012 nan 8.230 nan 0.000 0.467 79 V N 0.997 121.039 119.914 0.215 0.000 3.023 79 V HA 0.925 5.046 4.120 0.001 0.000 0.294 79 V C -0.671 175.474 176.094 0.084 0.000 1.324 79 V CA 0.288 62.644 62.300 0.093 0.000 0.979 79 V CB 1.980 33.861 31.823 0.097 0.000 1.093 79 V HN 0.903 nan 8.190 nan 0.000 0.434 80 G N 3.299 112.109 108.800 0.018 0.000 2.601 80 G HA2 0.971 4.932 3.960 0.001 0.000 0.291 80 G HA3 0.971 4.932 3.960 0.001 0.000 0.291 80 G C -1.246 173.633 174.900 -0.036 0.000 1.456 80 G CA -0.001 45.102 45.100 0.006 0.000 0.804 80 G HN 1.864 nan 8.290 nan 0.000 0.499 81 A N 0.177 122.931 122.820 -0.111 0.000 2.589 81 A HA 0.786 5.107 4.320 0.001 0.000 0.296 81 A C -0.526 176.936 177.584 -0.202 0.000 1.062 81 A CA -0.571 51.398 52.037 -0.114 0.000 0.686 81 A CB 0.727 19.679 19.000 -0.080 0.000 1.282 81 A HN 2.009 nan 8.150 nan 0.000 0.404 82 H N -0.391 118.640 119.070 -0.064 0.000 2.679 82 H HA 0.544 5.100 4.556 0.001 0.000 0.369 82 H C 1.141 176.497 175.328 0.047 0.000 1.178 82 H CA 0.367 56.432 56.048 0.029 0.000 1.419 82 H CB 0.513 30.407 29.762 0.220 0.000 1.458 82 H HN 0.588 nan 8.280 nan 0.000 0.605 83 T N -1.913 112.753 114.554 0.187 0.000 3.033 83 T HA -0.035 4.315 4.350 0.001 0.000 0.248 83 T C 0.560 175.363 174.700 0.171 0.000 1.040 83 T CA 0.175 62.353 62.100 0.130 0.000 1.133 83 T CB -0.332 68.612 68.868 0.126 0.000 0.895 83 T HN 0.820 nan 8.240 nan 0.000 0.465 84 D N 2.681 123.252 120.400 0.285 0.000 2.360 84 D HA 0.333 4.973 4.640 0.001 0.000 0.242 84 D C -0.309 176.145 176.300 0.257 0.000 1.184 84 D CA -0.288 53.866 54.000 0.258 0.000 0.930 84 D CB 1.144 42.127 40.800 0.305 0.000 1.161 84 D HN 0.497 nan 8.370 nan 0.000 0.447 85 S N -1.102 114.698 115.700 0.166 0.000 2.536 85 S HA 0.479 4.950 4.470 0.001 0.000 0.271 85 S C -3.102 171.516 174.600 0.030 0.000 1.134 85 S CA -1.481 56.755 58.200 0.059 0.000 0.897 85 S CB 1.502 64.714 63.200 0.020 0.000 1.094 85 S HN 0.201 nan 8.310 nan 0.000 0.473 86 P HA 0.161 nan 4.420 nan 0.000 0.255 86 P C 0.011 177.310 177.300 -0.002 0.000 1.173 86 P CA 0.085 63.114 63.100 -0.119 0.000 0.780 86 P CB -0.637 30.918 31.700 -0.241 0.000 0.758 87 C N 2.375 121.726 119.300 0.085 0.000 3.311 87 C HA 0.640 5.100 4.460 0.001 0.000 0.366 87 C C -1.075 173.931 174.990 0.026 0.000 1.694 87 C CA -1.092 57.946 59.018 0.034 0.000 1.244 87 C CB 0.345 28.084 27.740 -0.001 0.000 2.038 87 C HN 0.196 nan 8.230 nan 0.000 0.436 88 L N 2.083 123.277 121.223 -0.048 0.000 2.272 88 L HA 0.561 4.901 4.340 0.001 0.000 0.284 88 L C 0.349 177.140 176.870 -0.132 0.000 1.045 88 L CA 0.215 55.006 54.840 -0.080 0.000 0.842 88 L CB 0.278 42.270 42.059 -0.112 0.000 1.224 88 L HN 0.706 nan 8.230 nan 0.000 0.430 89 R N 2.577 122.997 120.500 -0.133 0.000 2.267 89 R HA 0.438 4.778 4.340 0.001 0.000 0.319 89 R C -0.878 175.326 176.300 -0.159 0.000 1.067 89 R CA -0.369 55.602 56.100 -0.214 0.000 0.936 89 R CB 0.593 30.697 30.300 -0.326 0.000 1.006 89 R HN 0.364 nan 8.270 nan 0.000 0.452 90 V N 5.455 125.287 119.914 -0.137 0.000 2.572 90 V HA 0.073 4.194 4.120 0.001 0.000 0.291 90 V C 0.758 176.816 176.094 -0.060 0.000 1.039 90 V CA -0.147 62.107 62.300 -0.078 0.000 1.055 90 V CB 0.593 32.400 31.823 -0.026 0.000 0.969 90 V HN 0.761 nan 8.190 nan 0.000 0.482 91 K N 5.182 125.558 120.400 -0.040 0.000 2.187 91 K HA 0.143 4.464 4.320 0.001 0.000 0.247 91 K C -1.456 175.141 176.600 -0.004 0.000 1.019 91 K CA -1.014 55.257 56.287 -0.027 0.000 0.893 91 K CB 0.036 32.528 32.500 -0.013 0.000 1.025 91 K HN 0.373 nan 8.250 nan 0.000 0.500 92 P HA -0.220 nan 4.420 nan 0.000 0.206 92 P C -0.341 176.974 177.300 0.024 0.000 1.142 92 P CA 1.548 64.659 63.100 0.017 0.000 0.946 92 P CB 0.185 31.895 31.700 0.016 0.000 0.777 93 N N -1.364 117.349 118.700 0.022 0.000 2.790 93 N HA 0.180 4.920 4.740 0.001 0.000 0.256 93 N C -2.558 172.964 175.510 0.021 0.000 1.409 93 N CA -0.684 52.384 53.050 0.030 0.000 0.799 93 N CB 1.278 39.769 38.487 0.007 0.000 1.170 93 N HN 0.163 nan 8.380 nan 0.000 0.507 94 P HA 0.237 nan 4.420 nan 0.000 0.206 94 P C -0.557 176.773 177.300 0.050 0.000 1.854 94 P CA -0.195 62.925 63.100 0.032 0.000 0.969 94 P CB 0.180 31.897 31.700 0.028 0.000 1.843 95 E N 1.779 122.003 120.200 0.040 0.000 2.081 95 E HA 0.175 4.525 4.350 0.001 0.000 0.270 95 E C 0.139 176.763 176.600 0.041 0.000 1.180 95 E CA 0.018 56.449 56.400 0.053 0.000 0.926 95 E CB 0.626 30.339 29.700 0.022 0.000 1.035 95 E HN 0.471 nan 8.360 nan 0.000 0.418 96 I N 2.106 122.711 120.570 0.058 0.000 2.371 96 I HA 0.268 4.438 4.170 0.001 0.000 0.282 96 I C 0.046 176.203 176.117 0.066 0.000 1.031 96 I CA -0.692 60.641 61.300 0.054 0.000 1.180 96 I CB 1.414 39.448 38.000 0.056 0.000 1.336 96 I HN 0.282 nan 8.210 nan 0.000 0.467 97 A N 7.533 130.382 122.820 0.048 0.000 2.444 97 A HA 0.665 4.986 4.320 0.001 0.000 0.332 97 A C -0.091 177.510 177.584 0.027 0.000 1.430 97 A CA -0.475 51.587 52.037 0.042 0.000 0.975 97 A CB 0.160 19.174 19.000 0.023 0.000 1.147 97 A HN 0.722 nan 8.150 nan 0.000 0.524 98 R N 2.416 122.946 120.500 0.050 0.000 2.561 98 R HA 0.378 4.719 4.340 0.001 0.000 0.297 98 R C -0.429 175.851 176.300 -0.034 0.000 0.969 98 R CA -0.838 55.284 56.100 0.036 0.000 0.879 98 R CB 1.162 31.516 30.300 0.091 0.000 1.178 98 R HN 0.788 nan 8.270 nan 0.000 0.445 99 N N 1.228 119.846 118.700 -0.136 0.000 2.714 99 N HA -0.218 4.523 4.740 0.001 0.000 0.250 99 N C 0.646 175.668 175.510 -0.814 0.000 1.117 99 N CA 1.581 54.420 53.050 -0.350 0.000 0.719 99 N CB -0.980 37.397 38.487 -0.183 0.000 1.081 99 N HN 1.124 nan 8.380 nan 0.000 0.557 100 G N -1.812 106.678 108.800 -0.518 0.000 2.176 100 G HA2 -0.315 3.645 3.960 0.001 0.000 0.253 100 G HA3 -0.315 3.645 3.960 0.001 0.000 0.253 100 G C -0.044 174.617 174.900 -0.399 0.000 0.979 100 G CA 0.344 45.164 45.100 -0.467 0.000 0.641 100 G HN 0.432 nan 8.290 nan 0.000 0.530 101 F N 0.037 119.992 119.950 0.009 0.000 2.420 101 F HA 0.689 5.217 4.527 0.000 0.000 0.342 101 F C 0.621 176.429 175.800 0.014 0.000 1.113 101 F CA -1.191 56.813 58.000 0.007 0.000 1.059 101 F CB 1.611 40.616 39.000 0.009 0.000 1.128 101 F HN 0.025 nan 8.300 nan 0.000 0.475 102 L N 3.692 125.029 121.223 0.189 0.000 2.292 102 L HA 0.400 4.740 4.340 0.001 0.000 0.284 102 L C -0.664 176.283 176.870 0.128 0.000 1.065 102 L CA -0.110 54.804 54.840 0.124 0.000 0.806 102 L CB 0.986 43.097 42.059 0.086 0.000 1.175 102 L HN 0.702 nan 8.230 nan 0.000 0.431 103 Q N 4.687 124.560 119.800 0.122 0.000 2.451 103 Q HA 0.579 4.919 4.340 0.001 0.000 0.281 103 Q C -1.536 174.537 176.000 0.121 0.000 1.099 103 Q CA -0.854 55.021 55.803 0.121 0.000 0.806 103 Q CB 3.066 31.864 28.738 0.101 0.000 1.419 103 Q HN 0.550 nan 8.270 nan 0.000 0.427 104 L N 1.236 122.539 121.223 0.133 0.000 2.342 104 L HA 0.480 4.821 4.340 0.001 0.000 0.276 104 L C 0.387 177.284 176.870 0.044 0.000 0.997 104 L CA -0.818 54.085 54.840 0.106 0.000 0.838 104 L CB 1.593 43.744 42.059 0.154 0.000 1.224 104 L HN 0.723 nan 8.230 nan 0.000 0.416 105 G N 2.644 111.462 108.800 0.029 0.000 2.414 105 G HA2 0.370 4.331 3.960 0.001 0.000 0.236 105 G HA3 0.370 4.331 3.960 0.001 0.000 0.236 105 G C -0.128 174.759 174.900 -0.021 0.000 1.293 105 G CA -0.125 44.976 45.100 0.003 0.000 0.869 105 G HN 0.442 nan 8.290 nan 0.000 0.556 106 V N 0.068 119.958 119.914 -0.040 0.000 2.823 106 V HA 0.655 4.775 4.120 0.001 0.000 0.312 106 V C -0.278 175.787 176.094 -0.047 0.000 1.072 106 V CA -1.385 60.879 62.300 -0.061 0.000 0.937 106 V CB 2.053 33.822 31.823 -0.091 0.000 1.013 106 V HN 0.756 nan 8.190 nan 0.000 0.430 107 E N 1.514 121.685 120.200 -0.049 0.000 2.266 107 E HA 0.467 4.817 4.350 0.001 0.000 0.277 107 E C -0.720 175.879 176.600 -0.001 0.000 1.018 107 E CA -0.824 55.562 56.400 -0.023 0.000 0.840 107 E CB 2.202 31.886 29.700 -0.026 0.000 1.082 107 E HN 0.637 nan 8.360 nan 0.000 0.395 108 V N 4.066 123.986 119.914 0.011 0.000 2.055 108 V HA -0.030 4.090 4.120 0.001 0.000 0.248 108 V C -0.395 175.722 176.094 0.038 0.000 1.476 108 V CA -0.145 62.163 62.300 0.013 0.000 1.417 108 V CB -1.572 30.251 31.823 0.001 0.000 1.465 108 V HN 0.520 nan 8.190 nan 0.000 0.502 109 Y N 3.651 123.906 120.300 -0.076 0.000 2.465 109 Y HA 0.506 5.057 4.550 0.001 0.000 0.331 109 Y C 1.096 176.954 175.900 -0.069 0.000 1.102 109 Y CA 1.272 59.324 58.100 -0.080 0.000 1.358 109 Y CB 0.412 38.803 38.460 -0.114 0.000 1.213 109 Y HN 0.768 nan 8.280 nan 0.000 0.525 110 G N 3.708 112.151 108.800 -0.595 0.000 2.498 110 G HA2 -0.170 3.790 3.960 0.001 0.000 0.251 110 G HA3 -0.170 3.790 3.960 0.001 0.000 0.251 110 G C 0.331 175.130 174.900 -0.167 0.000 1.170 110 G CA -0.400 44.416 45.100 -0.472 0.000 0.944 110 G HN 1.274 nan 8.290 nan 0.000 0.567 111 G N -0.417 108.359 108.800 -0.040 0.000 2.651 111 G HA2 0.698 4.658 3.960 0.001 0.000 0.260 111 G HA3 0.698 4.658 3.960 0.001 0.000 0.260 111 G C 0.871 175.794 174.900 0.039 0.000 1.216 111 G CA 1.276 46.463 45.100 0.145 0.000 0.913 111 G HN 1.929 nan 8.290 nan 0.000 0.535 112 A N -0.639 122.187 122.820 0.010 0.000 3.909 112 A HA 0.786 5.107 4.320 0.001 0.000 0.180 112 A C 0.620 178.167 177.584 -0.061 0.000 1.812 112 A CA 0.326 52.343 52.037 -0.034 0.000 1.557 112 A CB -0.668 18.293 19.000 -0.064 0.000 1.216 112 A HN 1.372 nan 8.150 nan 0.000 0.386 113 L N -3.800 117.309 121.223 -0.189 0.000 0.586 113 L HA -0.227 4.114 4.340 0.001 0.000 0.356 113 L C 0.533 177.276 176.870 -0.212 0.000 0.958 113 L CA 0.104 54.725 54.840 -0.366 0.000 1.223 113 L CB -0.792 41.163 42.059 -0.174 0.000 0.019 113 L HN 0.715 nan 8.230 nan 0.000 0.091 114 F N 0.431 120.488 119.950 0.179 0.000 2.078 114 F HA 0.284 4.811 4.527 -0.001 0.000 0.282 114 F C 1.706 177.791 175.800 0.474 0.000 1.246 114 F CA 0.812 59.005 58.000 0.321 0.000 1.116 114 F CB -0.715 38.339 39.000 0.090 0.000 0.995 114 F HN 0.583 nan 8.300 nan 0.000 0.499 115 A N 2.046 125.199 122.820 0.556 0.000 2.526 115 A HA 0.150 4.470 4.320 0.001 0.000 0.267 115 A C -1.464 176.259 177.584 0.232 0.000 1.095 115 A CA -0.976 51.285 52.037 0.374 0.000 0.775 115 A CB -1.037 18.102 19.000 0.232 0.000 1.036 115 A HN 0.320 nan 8.150 nan 0.000 0.510 116 P HA -0.260 nan 4.420 nan 0.000 0.235 116 P C 0.161 177.559 177.300 0.164 0.000 1.024 116 P CA 1.822 64.979 63.100 0.095 0.000 1.059 116 P CB -0.469 31.220 31.700 -0.019 0.000 0.714 117 W N -1.247 120.164 121.300 0.185 0.000 2.484 117 W HA 0.111 4.772 4.660 0.001 0.000 0.337 117 W C 1.061 177.861 176.519 0.469 0.000 1.214 117 W CA 0.844 58.368 57.345 0.297 0.000 1.296 117 W CB -0.798 28.841 29.460 0.299 0.000 1.174 117 W HN 0.057 nan 8.180 nan 0.000 0.564 118 F N -0.884 119.215 119.950 0.248 0.000 2.183 118 F HA -0.353 4.174 4.527 0.000 0.000 0.318 118 F C 0.743 176.602 175.800 0.098 0.000 0.587 118 F CA 0.274 58.365 58.000 0.153 0.000 0.912 118 F CB -1.660 37.427 39.000 0.146 0.000 4.135 118 F HN 0.488 nan 8.300 nan 0.000 0.137 119 D N -0.807 119.785 120.400 0.320 0.000 10.890 119 D HA -0.149 4.492 4.640 0.001 0.000 0.359 119 D C 0.705 177.076 176.300 0.118 0.000 3.118 119 D CA 0.699 54.807 54.000 0.180 0.000 2.613 119 D CB -0.148 40.741 40.800 0.148 0.000 1.178 119 D HN 0.463 nan 8.370 nan 0.000 0.941 120 R N 0.829 121.384 120.500 0.092 0.000 2.070 120 R HA -0.072 4.269 4.340 0.001 0.000 0.233 120 R C 0.001 176.358 176.300 0.094 0.000 1.137 120 R CA 1.485 57.631 56.100 0.076 0.000 0.945 120 R CB -0.651 29.686 30.300 0.063 0.000 0.845 120 R HN 0.661 nan 8.270 nan 0.000 0.430 121 D N -0.378 120.075 120.400 0.089 0.000 10.695 121 D HA -0.182 4.459 4.640 0.001 0.000 0.330 121 D C -0.628 175.780 176.300 0.180 0.000 3.085 121 D CA 0.804 54.865 54.000 0.102 0.000 2.708 121 D CB -0.106 40.772 40.800 0.130 0.000 1.181 121 D HN 0.104 nan 8.370 nan 0.000 0.923 122 L N 0.551 121.837 121.223 0.106 0.000 2.549 122 L HA 0.380 4.720 4.340 0.001 0.000 0.259 122 L C -0.831 176.022 176.870 -0.028 0.000 0.934 122 L CA -0.339 54.602 54.840 0.168 0.000 0.865 122 L CB 2.187 44.305 42.059 0.098 0.000 1.352 122 L HN 0.399 nan 8.230 nan 0.000 0.410 123 S N 5.004 120.745 115.700 0.069 0.000 2.548 123 S HA 0.730 5.201 4.470 0.001 0.000 0.277 123 S C -0.161 174.332 174.600 -0.178 0.000 1.315 123 S CA -0.361 57.802 58.200 -0.063 0.000 1.050 123 S CB 0.344 63.749 63.200 0.342 0.000 0.918 123 S HN 0.550 nan 8.310 nan 0.000 0.497 124 L N 0.963 121.743 121.223 -0.739 0.000 2.600 124 L HA 1.023 5.364 4.340 0.001 0.000 0.257 124 L C -0.618 175.518 176.870 -1.222 0.000 1.048 124 L CA -1.053 53.325 54.840 -0.769 0.000 0.869 124 L CB 1.189 43.038 42.059 -0.350 0.000 1.482 124 L HN 0.822 nan 8.230 nan 0.000 0.408 125 A N -0.126 122.331 122.820 -0.604 0.000 2.528 125 A HA 0.416 4.736 4.320 0.001 0.000 0.668 125 A C -0.012 177.611 177.584 0.065 0.000 0.331 125 A CA -0.206 51.676 52.037 -0.258 0.000 0.145 125 A CB -2.013 16.843 19.000 -0.240 0.000 3.846 125 A HN 2.021 nan 8.150 nan 0.000 0.548 126 G N -0.969 107.919 108.800 0.148 0.000 2.653 126 G HA2 0.596 4.556 3.960 0.001 0.000 0.265 126 G HA3 0.596 4.556 3.960 0.001 0.000 0.265 126 G C 0.150 175.192 174.900 0.238 0.000 1.237 126 G CA 0.533 45.732 45.100 0.165 0.000 0.946 126 G HN 1.482 nan 8.290 nan 0.000 0.522 127 R N -0.939 119.631 120.500 0.117 0.000 2.658 127 R HA 0.289 4.629 4.340 0.001 0.000 0.287 127 R C -1.686 174.607 176.300 -0.013 0.000 1.209 127 R CA -0.531 55.595 56.100 0.042 0.000 1.046 127 R CB 1.444 31.748 30.300 0.006 0.000 1.247 127 R HN 0.368 nan 8.270 nan 0.000 0.405 128 V N 4.952 124.836 119.914 -0.050 0.000 2.370 128 V HA 0.146 4.266 4.120 0.001 0.000 0.257 128 V C 0.901 176.903 176.094 -0.153 0.000 1.064 128 V CA -0.073 62.176 62.300 -0.085 0.000 0.975 128 V CB 0.599 32.367 31.823 -0.093 0.000 1.067 128 V HN 0.871 nan 8.190 nan 0.000 0.485 129 T N 1.685 116.174 114.554 -0.109 0.000 2.754 129 T HA 0.387 4.737 4.350 0.001 0.000 0.286 129 T C -0.007 174.610 174.700 -0.139 0.000 0.997 129 T CA -0.476 61.556 62.100 -0.113 0.000 0.982 129 T CB 0.356 69.226 68.868 0.004 0.000 1.027 129 T HN 0.201 nan 8.240 nan 0.000 0.529 130 F N 1.537 121.487 119.950 0.001 0.000 2.650 130 F HA 0.362 4.889 4.527 0.001 0.000 0.338 130 F C 1.747 177.548 175.800 0.001 0.000 1.311 130 F CA 0.043 58.045 58.000 0.003 0.000 1.106 130 F CB -0.622 38.381 39.000 0.004 0.000 1.500 130 F HN 0.635 nan 8.300 nan 0.000 0.670 131 R N 1.641 122.206 120.500 0.108 0.000 2.555 131 R HA 0.236 4.576 4.340 0.001 0.000 0.050 131 R C -0.060 176.256 176.300 0.028 0.000 0.500 131 R CA 0.495 56.638 56.100 0.072 0.000 0.738 131 R CB -0.523 29.817 30.300 0.066 0.000 0.868 131 R HN 0.409 nan 8.270 nan 0.000 0.584 132 A N 1.516 124.337 122.820 0.002 0.000 2.475 132 A HA -0.216 4.105 4.320 0.001 0.000 0.295 132 A C -0.804 176.769 177.584 -0.019 0.000 1.457 132 A CA 1.390 53.416 52.037 -0.019 0.000 0.734 132 A CB -1.565 17.428 19.000 -0.011 0.000 1.118 132 A HN 0.524 nan 8.150 nan 0.000 0.400 133 N N 0.352 119.037 118.700 -0.025 0.000 2.503 133 N HA 0.500 5.241 4.740 0.001 0.000 0.287 133 N C -0.200 175.297 175.510 -0.021 0.000 1.096 133 N CA 0.420 53.461 53.050 -0.015 0.000 0.936 133 N CB 1.738 40.226 38.487 0.002 0.000 1.570 133 N HN 0.935 nan 8.380 nan 0.000 0.504 134 G N 1.991 110.781 108.800 -0.017 0.000 2.348 134 G HA2 0.488 4.449 3.960 0.001 0.000 0.312 134 G HA3 0.488 4.449 3.960 0.001 0.000 0.312 134 G C -0.891 174.016 174.900 0.013 0.000 1.126 134 G CA -0.299 44.796 45.100 -0.009 0.000 0.865 134 G HN 0.598 nan 8.290 nan 0.000 0.474 135 K N 1.182 121.599 120.400 0.028 0.000 2.543 135 K HA 0.431 4.752 4.320 0.001 0.000 0.255 135 K C -1.052 175.590 176.600 0.071 0.000 0.934 135 K CA -0.797 55.517 56.287 0.045 0.000 0.810 135 K CB 1.659 34.182 32.500 0.038 0.000 1.315 135 K HN 0.450 nan 8.250 nan 0.000 0.433 136 L N 0.277 121.545 121.223 0.074 0.000 2.334 136 L HA 0.821 5.162 4.340 0.001 0.000 0.275 136 L C -0.520 176.401 176.870 0.086 0.000 1.036 136 L CA -0.410 54.485 54.840 0.091 0.000 0.807 136 L CB 1.464 43.557 42.059 0.057 0.000 1.231 136 L HN 0.612 nan 8.230 nan 0.000 0.438 137 E N 0.232 120.502 120.200 0.115 0.000 2.375 137 E HA 0.784 5.134 4.350 0.001 0.000 0.280 137 E C -1.233 175.424 176.600 0.095 0.000 0.972 137 E CA 0.079 56.540 56.400 0.102 0.000 0.782 137 E CB 2.083 31.854 29.700 0.119 0.000 1.229 137 E HN 0.993 nan 8.360 nan 0.000 0.439 138 S N 2.078 117.811 115.700 0.055 0.000 3.003 138 S HA 0.889 5.359 4.470 0.001 0.000 0.313 138 S C -0.988 173.637 174.600 0.041 0.000 1.230 138 S CA -0.520 57.698 58.200 0.030 0.000 0.977 138 S CB 0.969 64.145 63.200 -0.039 0.000 1.340 138 S HN 0.748 nan 8.310 nan 0.000 0.608 139 R N 0.086 120.602 120.500 0.027 0.000 0.970 139 R HA 0.097 4.437 4.340 0.001 0.000 0.431 139 R C -1.084 175.244 176.300 0.046 0.000 1.364 139 R CA 0.674 56.791 56.100 0.027 0.000 1.167 139 R CB -1.476 28.834 30.300 0.016 0.000 3.395 139 R HN 2.069 nan 8.270 nan 0.000 0.514 140 L N 1.990 123.237 121.223 0.041 0.000 0.604 140 L HA -0.104 4.236 4.340 0.001 0.000 0.358 140 L C -1.103 175.803 176.870 0.059 0.000 1.004 140 L CA 0.799 55.663 54.840 0.040 0.000 1.222 140 L CB -0.406 41.671 42.059 0.030 0.000 0.183 140 L HN 0.831 nan 8.230 nan 0.000 0.139 141 V N 4.835 124.776 119.914 0.045 0.000 2.521 141 V HA 0.318 4.439 4.120 0.001 0.000 0.286 141 V C 0.791 176.892 176.094 0.011 0.000 1.034 141 V CA 1.483 63.816 62.300 0.055 0.000 1.045 141 V CB 1.097 32.943 31.823 0.039 0.000 0.974 141 V HN 0.877 nan 8.190 nan 0.000 0.480 142 D N 4.577 124.984 120.400 0.012 0.000 2.401 142 D HA 0.272 4.913 4.640 0.001 0.000 0.269 142 D C -0.608 175.398 176.300 -0.490 0.000 1.117 142 D CA 0.121 53.957 54.000 -0.272 0.000 0.829 142 D CB 0.415 40.946 40.800 -0.449 0.000 1.350 142 D HN 0.520 nan 8.370 nan 0.000 0.529 143 F N 0.515 120.463 119.950 -0.004 0.000 2.598 143 F HA 0.684 5.211 4.527 0.001 0.000 0.327 143 F C 0.158 175.941 175.800 -0.029 0.000 1.057 143 F CA -0.892 57.099 58.000 -0.015 0.000 0.957 143 F CB 1.702 40.696 39.000 -0.011 0.000 1.278 143 F HN -0.484 nan 8.300 nan 0.000 0.484 144 R N 0.574 121.159 120.500 0.141 0.000 2.664 144 R HA 0.378 4.719 4.340 0.001 0.000 0.266 144 R C -1.736 174.560 176.300 -0.007 0.000 1.046 144 R CA -1.175 54.949 56.100 0.040 0.000 0.885 144 R CB 2.763 33.046 30.300 -0.028 0.000 1.254 144 R HN 0.591 nan 8.270 nan 0.000 0.465 145 K N 1.323 121.706 120.400 -0.028 0.000 2.464 145 K HA 0.459 4.780 4.320 0.001 0.000 0.252 145 K C -0.732 175.887 176.600 0.031 0.000 1.000 145 K CA -0.309 55.934 56.287 -0.073 0.000 0.951 145 K CB 2.013 34.386 32.500 -0.212 0.000 1.183 145 K HN 0.595 nan 8.250 nan 0.000 0.445 146 A N 3.525 126.353 122.820 0.014 0.000 2.302 146 A HA 0.576 4.896 4.320 0.001 0.000 0.285 146 A C -0.482 177.311 177.584 0.348 0.000 1.105 146 A CA -0.522 51.535 52.037 0.035 0.000 0.816 146 A CB 0.437 19.389 19.000 -0.081 0.000 1.067 146 A HN 0.803 nan 8.150 nan 0.000 0.489 147 I N -0.213 120.519 120.570 0.270 0.000 2.957 147 I HA 0.668 4.839 4.170 0.001 0.000 0.310 147 I C 0.410 176.585 176.117 0.097 0.000 1.063 147 I CA -0.849 60.603 61.300 0.254 0.000 1.033 147 I CB 2.012 40.106 38.000 0.156 0.000 1.230 147 I HN 0.757 nan 8.210 nan 0.000 0.447 148 A N 3.492 126.330 122.820 0.029 0.000 2.302 148 A HA 0.575 4.895 4.320 0.001 0.000 0.285 148 A C 0.196 177.772 177.584 -0.014 0.000 1.105 148 A CA 0.098 52.142 52.037 0.012 0.000 0.816 148 A CB 0.972 19.977 19.000 0.008 0.000 1.067 148 A HN 0.755 nan 8.150 nan 0.000 0.489 149 V N -0.915 118.997 119.914 -0.004 0.000 3.629 149 V HA 0.186 4.307 4.120 0.001 0.000 0.194 149 V C 1.503 177.590 176.094 -0.013 0.000 1.343 149 V CA 0.138 62.432 62.300 -0.009 0.000 1.292 149 V CB -0.929 30.900 31.823 0.011 0.000 1.287 149 V HN 0.617 nan 8.190 nan 0.000 0.554 150 I N 1.529 122.097 120.570 -0.003 0.000 2.546 150 I HA 0.045 4.215 4.170 0.001 0.000 0.255 150 I C -0.829 175.285 176.117 -0.005 0.000 1.163 150 I CA 0.763 62.060 61.300 -0.003 0.000 1.457 150 I CB -2.062 35.940 38.000 0.002 0.000 1.092 150 I HN 0.362 nan 8.210 nan 0.000 0.434 151 P HA -0.070 nan 4.420 nan 0.000 0.314 151 P C 0.065 177.357 177.300 -0.013 0.000 1.521 151 P CA 0.348 63.445 63.100 -0.004 0.000 0.754 151 P CB -0.760 30.940 31.700 0.000 0.000 1.692 152 N N -2.112 116.578 118.700 -0.016 0.000 2.615 152 N HA -0.233 4.508 4.740 0.001 0.000 0.167 152 N C -0.520 174.970 175.510 -0.033 0.000 0.858 152 N CA 0.136 53.173 53.050 -0.021 0.000 0.890 152 N CB -1.185 37.292 38.487 -0.016 0.000 0.837 152 N HN 0.025 nan 8.380 nan 0.000 0.671 153 L N 1.438 122.641 121.223 -0.033 0.000 2.584 153 L HA 0.095 4.435 4.340 0.001 0.000 0.272 153 L C 0.384 177.224 176.870 -0.050 0.000 1.195 153 L CA 0.368 55.182 54.840 -0.043 0.000 0.920 153 L CB -0.206 41.832 42.059 -0.035 0.000 1.173 153 L HN 0.371 nan 8.230 nan 0.000 0.489 167 I N 1.090 121.700 120.570 0.066 0.000 2.750 167 I HA 0.519 4.690 4.170 0.001 0.000 0.308 167 I C -0.279 175.914 176.117 0.126 0.000 1.016 167 I CA -0.856 60.493 61.300 0.081 0.000 1.098 167 I CB 1.232 39.267 38.000 0.058 0.000 1.279 167 I HN 0.339 nan 8.210 nan 0.000 0.454 168 N N 3.106 121.905 118.700 0.166 0.000 2.454 168 N HA -0.098 4.642 4.740 0.001 0.000 0.280 168 N C -1.025 174.576 175.510 0.152 0.000 1.515 168 N CA 0.639 53.828 53.050 0.232 0.000 0.892 168 N CB -0.618 38.052 38.487 0.305 0.000 0.892 168 N HN 0.896 nan 8.380 nan 0.000 0.475 169 A N 2.179 125.081 122.820 0.136 0.000 2.684 169 A HA 0.543 4.864 4.320 0.001 0.000 0.289 169 A C 0.879 178.510 177.584 0.077 0.000 1.139 169 A CA 0.589 52.679 52.037 0.089 0.000 0.793 169 A CB 1.063 20.106 19.000 0.071 0.000 1.334 169 A HN 0.753 nan 8.150 nan 0.000 0.408 170 Q N 2.028 121.864 119.800 0.060 0.000 1.868 170 Q HA -0.333 4.008 4.340 0.001 0.000 0.209 170 Q C 0.497 176.522 176.000 0.041 0.000 2.846 170 Q CA 2.523 58.349 55.803 0.039 0.000 0.366 170 Q CB -1.063 27.694 28.738 0.032 0.000 0.587 170 Q HN 1.009 nan 8.270 nan 0.000 0.453 171 N N 1.604 120.337 118.700 0.055 0.000 3.127 171 N HA -0.008 4.732 4.740 0.001 0.000 0.317 171 N C -0.112 175.455 175.510 0.095 0.000 1.242 171 N CA 1.271 54.357 53.050 0.061 0.000 1.203 171 N CB 0.679 39.203 38.487 0.061 0.000 1.462 171 N HN 0.524 nan 8.380 nan 0.000 0.546 172 E N -0.671 119.577 120.200 0.080 0.000 2.537 172 E HA 0.135 4.486 4.350 0.001 0.000 0.191 172 E C 1.149 177.626 176.600 -0.204 0.000 0.987 172 E CA -0.098 56.388 56.400 0.144 0.000 1.607 172 E CB 0.145 30.092 29.700 0.412 0.000 2.499 172 E HN 0.192 nan 8.360 nan 0.000 1.073 173 L N 1.426 122.519 121.223 -0.215 0.000 2.375 173 L HA 0.156 4.496 4.340 0.001 0.000 0.215 173 L C -1.837 174.878 176.870 -0.258 0.000 1.108 173 L CA -0.177 54.437 54.840 -0.377 0.000 0.830 173 L CB -0.602 41.316 42.059 -0.236 0.000 0.959 173 L HN -0.105 nan 8.230 nan 0.000 0.457 174 P HA 0.070 nan 4.420 nan 0.000 0.265 174 P C -2.380 174.882 177.300 -0.063 0.000 1.222 174 P CA -0.632 62.424 63.100 -0.073 0.000 0.767 174 P CB 0.161 31.850 31.700 -0.019 0.000 0.801 175 P HA 0.261 nan 4.420 nan 0.000 0.276 175 P C -0.273 177.088 177.300 0.101 0.000 1.252 175 P CA -0.415 62.701 63.100 0.027 0.000 0.802 175 P CB 0.713 32.464 31.700 0.084 0.000 1.035 176 I N 2.529 123.141 120.570 0.071 0.000 2.331 176 I HA 0.254 4.424 4.170 0.001 0.000 0.292 176 I C 0.654 176.784 176.117 0.021 0.000 0.998 176 I CA -0.419 60.907 61.300 0.042 0.000 1.267 176 I CB 0.715 38.677 38.000 -0.062 0.000 1.386 176 I HN 0.351 nan 8.210 nan 0.000 0.476 177 I N 7.164 127.725 120.570 -0.015 0.000 3.196 177 I HA 0.410 4.580 4.170 0.001 0.000 0.248 177 I C 0.693 176.708 176.117 -0.169 0.000 1.105 177 I CA 0.237 61.388 61.300 -0.248 0.000 1.482 177 I CB 0.557 38.384 38.000 -0.287 0.000 1.400 177 I HN 0.628 nan 8.210 nan 0.000 0.464 178 A N 0.589 123.377 122.820 -0.053 0.000 2.313 178 A HA 0.633 4.954 4.320 0.001 0.000 0.323 178 A C -0.740 176.882 177.584 0.063 0.000 1.133 178 A CA -0.357 51.671 52.037 -0.015 0.000 0.847 178 A CB 1.429 20.424 19.000 -0.010 0.000 1.308 178 A HN 0.358 nan 8.150 nan 0.000 0.475 179 Q N 0.815 120.656 119.800 0.069 0.000 3.761 179 Q HA 0.560 4.900 4.340 0.001 0.000 0.206 179 Q C -2.078 173.961 176.000 0.065 0.000 0.900 179 Q CA 0.111 55.994 55.803 0.134 0.000 0.737 179 Q CB 0.644 29.498 28.738 0.193 0.000 1.454 179 Q HN 0.766 nan 8.270 nan 0.000 0.448 180 L N 0.395 121.635 121.223 0.028 0.000 3.002 180 L HA 0.847 5.187 4.340 0.001 0.000 0.267 180 L C -1.866 174.997 176.870 -0.013 0.000 0.997 180 L CA -0.527 54.313 54.840 -0.001 0.000 0.961 180 L CB 1.958 44.019 42.059 0.004 0.000 1.502 180 L HN 0.476 nan 8.230 nan 0.000 0.408 181 A N 0.789 123.596 122.820 -0.021 0.000 2.601 181 A HA 0.858 5.178 4.320 0.001 0.000 0.291 181 A C -2.567 175.006 177.584 -0.018 0.000 1.075 181 A CA -0.605 51.420 52.037 -0.020 0.000 0.671 181 A CB 1.191 20.170 19.000 -0.035 0.000 1.277 181 A HN 0.555 nan 8.150 nan 0.000 0.417 182 P HA 0.322 nan 4.420 nan 0.000 0.245 182 P C 0.748 178.048 177.300 -0.000 0.000 1.199 182 P CA 1.211 64.306 63.100 -0.008 0.000 0.807 182 P CB 0.929 32.624 31.700 -0.009 0.000 1.002 183 G N -0.431 108.369 108.800 -0.001 0.000 2.834 183 G HA2 -0.107 3.854 3.960 0.001 0.000 0.217 183 G HA3 -0.107 3.854 3.960 0.001 0.000 0.217 183 G C -0.042 174.858 174.900 -0.000 0.000 0.974 183 G CA -0.277 44.824 45.100 0.002 0.000 0.826 183 G HN 0.418 nan 8.290 nan 0.000 0.584 204 A N 3.569 126.399 122.820 0.017 0.000 1.872 204 A HA 0.400 4.720 4.320 0.001 0.000 0.214 204 A C 0.870 178.462 177.584 0.013 0.000 1.187 204 A CA 1.487 53.532 52.037 0.013 0.000 0.614 204 A CB -0.816 18.191 19.000 0.012 0.000 0.826 204 A HN 1.362 nan 8.150 nan 0.000 0.442 205 D N -2.042 118.367 120.400 0.016 0.000 10.050 205 D HA -0.123 4.518 4.640 0.001 0.000 0.307 205 D C -0.501 175.803 176.300 0.006 0.000 2.837 205 D CA 0.686 54.695 54.000 0.015 0.000 2.563 205 D CB -0.460 40.351 40.800 0.020 0.000 1.087 205 D HN 0.396 nan 8.370 nan 0.000 0.825 206 V N 5.655 125.573 119.914 0.006 0.000 2.529 206 V HA 0.039 4.159 4.120 0.001 0.000 0.292 206 V C 2.144 178.225 176.094 -0.023 0.000 1.028 206 V CA 0.029 62.327 62.300 -0.003 0.000 1.074 206 V CB 0.987 32.816 31.823 0.010 0.000 0.958 206 V HN 0.646 nan 8.190 nan 0.000 0.481 207 V N 4.755 124.651 119.914 -0.031 0.000 2.352 207 V HA -0.390 3.730 4.120 0.001 0.000 0.242 207 V C 1.630 177.690 176.094 -0.057 0.000 1.032 207 V CA 3.428 65.701 62.300 -0.045 0.000 1.108 207 V CB -1.077 30.710 31.823 -0.060 0.000 0.838 207 V HN 1.019 nan 8.190 nan 0.000 0.488 208 L N -6.248 114.918 121.223 -0.096 0.000 1.381 208 L HA 0.381 4.721 4.340 0.001 0.000 0.129 208 L C 0.415 177.167 176.870 -0.196 0.000 1.359 208 L CA 0.728 55.498 54.840 -0.117 0.000 1.203 208 L CB -0.426 41.576 42.059 -0.095 0.000 2.498 208 L HN 0.298 nan 8.230 nan 0.000 0.478 209 D N 0.517 120.722 120.400 -0.324 0.000 3.215 209 D HA -0.271 4.369 4.640 0.001 0.000 0.194 209 D C -0.909 174.989 176.300 -0.670 0.000 1.369 209 D CA 2.768 56.388 54.000 -0.634 0.000 1.068 209 D CB -0.871 39.727 40.800 -0.337 0.000 0.604 209 D HN 0.544 nan 8.370 nan 0.000 0.683 210 Y N -0.091 120.228 120.300 0.031 0.000 2.749 210 Y HA 0.588 5.138 4.550 0.001 0.000 0.343 210 Y C -0.180 175.726 175.900 0.011 0.000 1.015 210 Y CA -0.462 57.648 58.100 0.017 0.000 1.270 210 Y CB 1.441 39.923 38.460 0.036 0.000 1.097 210 Y HN 0.210 nan 8.280 nan 0.000 0.571 211 E N 2.329 122.548 120.200 0.032 0.000 3.286 211 E HA 0.348 4.698 4.350 0.001 0.000 0.309 211 E C -1.417 175.116 176.600 -0.111 0.000 1.174 211 E CA -0.010 56.354 56.400 -0.060 0.000 0.984 211 E CB -0.002 29.628 29.700 -0.118 0.000 1.401 211 E HN 0.600 nan 8.360 nan 0.000 0.388 212 L N 1.593 122.774 121.223 -0.071 0.000 2.939 212 L HA 0.201 4.541 4.340 0.001 0.000 0.239 212 L C 1.407 178.268 176.870 -0.015 0.000 1.325 212 L CA 0.654 55.430 54.840 -0.106 0.000 1.170 212 L CB -1.081 40.948 42.059 -0.050 0.000 1.538 212 L HN 0.567 nan 8.230 nan 0.000 0.452 213 S N 0.107 115.805 115.700 -0.003 0.000 3.668 213 S HA -0.431 4.039 4.470 0.001 0.000 0.536 213 S C 0.687 175.444 174.600 0.262 0.000 0.946 213 S CA 2.252 60.514 58.200 0.103 0.000 3.397 213 S CB -0.978 62.313 63.200 0.153 0.000 2.325 213 S HN 0.436 nan 8.310 nan 0.000 0.495 214 F N -0.297 119.695 119.950 0.070 0.000 2.800 214 F HA 0.395 4.922 4.527 0.001 0.000 0.440 214 F C -0.744 175.088 175.800 0.053 0.000 1.043 214 F CA -0.837 57.179 58.000 0.026 0.000 1.083 214 F CB -0.349 38.647 39.000 -0.007 0.000 2.517 214 F HN 0.504 nan 8.300 nan 0.000 0.435 215 Y N 1.630 121.873 120.300 -0.095 0.000 2.320 215 Y HA 0.510 5.061 4.550 0.001 0.000 0.324 215 Y C 0.461 176.241 175.900 -0.201 0.000 1.190 215 Y CA 0.092 58.126 58.100 -0.109 0.000 1.215 215 Y CB 0.918 39.336 38.460 -0.071 0.000 1.221 215 Y HN 0.269 nan 8.280 nan 0.000 0.486 216 D N -0.200 120.002 120.400 -0.330 0.000 2.650 216 D HA 0.597 5.237 4.640 0.001 0.000 0.255 216 D C -1.209 174.897 176.300 -0.324 0.000 1.135 216 D CA -0.602 53.216 54.000 -0.303 0.000 1.099 216 D CB 1.537 42.160 40.800 -0.295 0.000 1.273 216 D HN 0.323 nan 8.370 nan 0.000 0.628 217 T N 0.631 115.022 114.554 -0.272 0.000 2.991 217 T HA 0.470 4.820 4.350 0.001 0.000 0.303 217 T C -1.372 173.224 174.700 -0.172 0.000 1.015 217 T CA -0.878 61.054 62.100 -0.280 0.000 1.007 217 T CB 1.476 70.135 68.868 -0.348 0.000 1.034 217 T HN 0.327 nan 8.240 nan 0.000 0.446 218 Q N 1.876 121.597 119.800 -0.132 0.000 2.397 218 Q HA 0.553 4.893 4.340 0.001 0.000 0.275 218 Q C -0.944 175.038 176.000 -0.030 0.000 1.090 218 Q CA -0.695 55.063 55.803 -0.075 0.000 0.809 218 Q CB 2.291 30.981 28.738 -0.079 0.000 1.362 218 Q HN 0.537 nan 8.270 nan 0.000 0.431 219 S N 1.236 116.932 115.700 -0.006 0.000 2.531 219 S HA 0.444 4.914 4.470 0.001 0.000 0.279 219 S C 0.804 175.415 174.600 0.018 0.000 1.305 219 S CA 0.493 58.707 58.200 0.023 0.000 1.058 219 S CB 0.422 63.645 63.200 0.040 0.000 0.899 219 S HN 0.719 nan 8.310 nan 0.000 0.493 220 A N 5.761 128.600 122.820 0.031 0.000 1.826 220 A HA 0.431 4.752 4.320 0.001 0.000 0.214 220 A C 1.444 179.044 177.584 0.025 0.000 1.212 220 A CA 0.788 52.840 52.037 0.025 0.000 0.605 220 A CB -1.567 17.453 19.000 0.034 0.000 0.861 220 A HN 1.752 nan 8.150 nan 0.000 0.447 221 A N 0.258 123.098 122.820 0.033 0.000 2.336 221 A HA 0.171 4.491 4.320 0.001 0.000 0.311 221 A C 0.586 178.189 177.584 0.031 0.000 0.919 221 A CA 0.728 52.785 52.037 0.034 0.000 1.275 221 A CB -1.412 17.613 19.000 0.042 0.000 0.717 221 A HN 1.280 nan 8.150 nan 0.000 0.359 222 V N 4.787 124.719 119.914 0.030 0.000 3.061 222 V HA 0.079 4.200 4.120 0.001 0.000 0.306 222 V C 1.102 177.222 176.094 0.044 0.000 1.118 222 V CA 0.301 62.622 62.300 0.036 0.000 1.231 222 V CB 0.814 32.656 31.823 0.032 0.000 0.956 222 V HN 0.801 nan 8.190 nan 0.000 0.499 223 V N 6.014 125.966 119.914 0.063 0.000 2.720 223 V HA 0.355 4.476 4.120 0.001 0.000 0.307 223 V C 0.887 177.019 176.094 0.062 0.000 1.071 223 V CA 1.110 63.454 62.300 0.075 0.000 1.199 223 V CB 0.127 32.040 31.823 0.150 0.000 0.900 223 V HN 1.163 nan 8.190 nan 0.000 0.494 224 G N 3.910 112.742 108.800 0.054 0.000 2.620 224 G HA2 0.619 4.580 3.960 0.001 0.000 0.301 224 G HA3 0.619 4.580 3.960 0.001 0.000 0.301 224 G C -1.143 173.784 174.900 0.045 0.000 1.347 224 G CA -1.061 44.065 45.100 0.045 0.000 0.971 224 G HN 0.634 nan 8.290 nan 0.000 0.488 225 L N 1.970 123.217 121.223 0.039 0.000 2.453 225 L HA 0.245 4.585 4.340 0.001 0.000 0.272 225 L C 0.239 177.130 176.870 0.036 0.000 1.182 225 L CA -0.488 54.376 54.840 0.039 0.000 0.858 225 L CB 0.440 42.520 42.059 0.035 0.000 1.120 225 L HN 0.449 nan 8.230 nan 0.000 0.474 226 N N 1.433 120.157 118.700 0.040 0.000 2.906 226 N HA 0.483 5.223 4.740 0.001 0.000 0.327 226 N C -0.970 174.555 175.510 0.026 0.000 1.344 226 N CA -0.759 52.310 53.050 0.031 0.000 0.823 226 N CB 0.748 39.257 38.487 0.037 0.000 1.351 226 N HN 0.525 nan 8.380 nan 0.000 0.604 227 D N -0.304 120.100 120.400 0.006 0.000 10.852 227 D HA -0.160 4.480 4.640 0.001 0.000 0.361 227 D C 0.506 176.748 176.300 -0.096 0.000 3.101 227 D CA 0.573 54.559 54.000 -0.023 0.000 2.575 227 D CB 0.091 40.910 40.800 0.032 0.000 1.168 227 D HN 0.711 nan 8.370 nan 0.000 0.953 228 E N -0.997 119.056 120.200 -0.246 0.000 2.072 228 E HA -0.107 4.244 4.350 0.001 0.000 0.191 228 E C 1.076 177.394 176.600 -0.471 0.000 0.985 228 E CA 1.315 57.439 56.400 -0.461 0.000 0.801 228 E CB 0.138 29.373 29.700 -0.776 0.000 0.750 228 E HN 0.398 nan 8.360 nan 0.000 0.452 229 F N -0.375 119.594 119.950 0.031 0.000 2.480 229 F HA 0.203 4.731 4.527 0.001 0.000 0.212 229 F C 0.981 176.799 175.800 0.030 0.000 1.113 229 F CA -0.732 57.287 58.000 0.031 0.000 0.970 229 F CB 0.050 39.073 39.000 0.038 0.000 1.177 229 F HN -0.093 nan 8.300 nan 0.000 0.663 230 I N -1.422 119.324 120.570 0.293 0.000 2.860 230 I HA 0.510 4.680 4.170 0.001 0.000 0.331 230 I C -0.184 176.028 176.117 0.158 0.000 1.447 230 I CA -0.493 60.899 61.300 0.154 0.000 0.847 230 I CB 0.477 38.531 38.000 0.090 0.000 1.938 230 I HN 0.208 nan 8.210 nan 0.000 0.564 231 A N 1.317 124.250 122.820 0.188 0.000 3.012 231 A HA 0.874 5.194 4.320 0.001 0.000 0.295 231 A C 0.797 178.460 177.584 0.133 0.000 1.338 231 A CA 0.179 52.327 52.037 0.186 0.000 0.981 231 A CB -0.844 18.293 19.000 0.228 0.000 1.091 231 A HN 1.046 nan 8.150 nan 0.000 0.602 232 G N -1.959 106.907 108.800 0.109 0.000 2.317 232 G HA2 0.594 4.555 3.960 0.001 0.000 0.445 232 G HA3 0.594 4.555 3.960 0.001 0.000 0.445 232 G C -0.574 174.370 174.900 0.074 0.000 1.486 232 G CA -0.125 45.030 45.100 0.092 0.000 0.991 232 G HN 1.675 nan 8.290 nan 0.000 0.660 233 A N 0.173 123.037 122.820 0.073 0.000 5.650 233 A HA 1.036 5.357 4.320 0.001 0.000 0.194 233 A C -0.160 177.466 177.584 0.069 0.000 0.895 233 A CA 0.709 52.786 52.037 0.065 0.000 0.804 233 A CB 0.244 19.280 19.000 0.061 0.000 2.103 233 A HN 2.291 nan 8.150 nan 0.000 1.022 234 R N -1.809 118.733 120.500 0.070 0.000 0.959 234 R HA -0.105 4.236 4.340 0.001 0.000 0.432 234 R C -0.407 175.908 176.300 0.025 0.000 1.366 234 R CA 0.850 56.986 56.100 0.060 0.000 1.194 234 R CB -1.544 28.800 30.300 0.072 0.000 3.435 234 R HN 1.332 nan 8.270 nan 0.000 0.516 235 L N 0.324 121.524 121.223 -0.037 0.000 3.087 235 L HA 0.204 4.544 4.340 0.001 0.000 0.169 235 L C 1.692 178.505 176.870 -0.095 0.000 1.276 235 L CA 0.367 55.178 54.840 -0.047 0.000 0.865 235 L CB -0.165 41.870 42.059 -0.040 0.000 1.368 235 L HN 0.676 nan 8.230 nan 0.000 0.548 236 D N 0.524 120.787 120.400 -0.228 0.000 2.119 236 D HA -0.164 4.476 4.640 0.001 0.000 0.231 236 D C 0.320 176.507 176.300 -0.189 0.000 0.999 236 D CA 1.304 55.179 54.000 -0.207 0.000 0.915 236 D CB -0.182 40.471 40.800 -0.245 0.000 1.017 236 D HN 0.597 nan 8.370 nan 0.000 0.437 237 N N -0.053 118.449 118.700 -0.331 0.000 2.693 237 N HA -0.234 4.507 4.740 0.001 0.000 0.250 237 N C -0.625 174.911 175.510 0.043 0.000 1.033 237 N CA 0.295 53.322 53.050 -0.038 0.000 0.747 237 N CB -2.114 36.404 38.487 0.052 0.000 0.964 237 N HN 0.238 nan 8.380 nan 0.000 0.540 238 L N 0.088 121.308 121.223 -0.004 0.000 2.399 238 L HA 0.281 4.622 4.340 0.001 0.000 0.257 238 L C 0.698 177.497 176.870 -0.118 0.000 1.236 238 L CA -0.664 54.163 54.840 -0.021 0.000 1.144 238 L CB -0.031 42.021 42.059 -0.011 0.000 1.379 238 L HN 0.319 nan 8.230 nan 0.000 0.414 239 L N 0.100 121.210 121.223 -0.188 0.000 4.988 239 L HA -0.297 4.044 4.340 0.001 0.000 0.439 239 L C 1.063 177.880 176.870 -0.087 0.000 1.080 239 L CA 1.127 55.767 54.840 -0.332 0.000 1.018 239 L CB -1.430 40.140 42.059 -0.815 0.000 1.945 239 L HN 0.651 nan 8.230 nan 0.000 0.782 240 S N -1.516 114.212 115.700 0.047 0.000 2.585 240 S HA 0.380 4.851 4.470 0.001 0.000 0.273 240 S C 1.560 176.390 174.600 0.384 0.000 1.339 240 S CA 0.144 58.483 58.200 0.232 0.000 1.028 240 S CB 1.043 64.383 63.200 0.234 0.000 0.906 240 S HN 1.403 nan 8.310 nan 0.000 0.528 241 C N 3.136 122.690 119.300 0.423 0.000 5.883 241 C HA -0.255 4.206 4.460 0.001 0.000 0.327 241 C C 1.437 176.404 174.990 -0.038 0.000 2.424 241 C CA 1.902 61.003 59.018 0.138 0.000 2.187 241 C CB -2.922 24.950 27.740 0.220 0.000 3.226 241 C HN 1.073 nan 8.230 nan 0.000 0.268 242 H N 1.909 120.978 119.070 -0.002 0.000 2.457 242 H HA 0.390 4.947 4.556 0.001 0.000 0.294 242 H C 2.095 177.382 175.328 -0.067 0.000 1.064 242 H CA 2.062 58.078 56.048 -0.054 0.000 1.330 242 H CB -0.130 29.586 29.762 -0.077 0.000 1.395 242 H HN 0.961 nan 8.280 nan 0.000 0.541 243 A N -0.177 122.686 122.820 0.072 0.000 2.797 243 A HA 0.485 4.806 4.320 0.001 0.000 0.287 243 A C 1.557 179.107 177.584 -0.057 0.000 1.369 243 A CA 0.568 52.624 52.037 0.032 0.000 0.968 243 A CB -0.463 18.582 19.000 0.075 0.000 1.069 243 A HN 0.510 nan 8.150 nan 0.000 0.571 244 G N -1.226 107.432 108.800 -0.237 0.000 2.647 244 G HA2 0.117 4.078 3.960 0.001 0.000 0.212 244 G HA3 0.117 4.078 3.960 0.001 0.000 0.212 244 G C 1.053 175.693 174.900 -0.433 0.000 1.540 244 G CA 0.232 44.951 45.100 -0.634 0.000 0.608 244 G HN 0.237 nan 8.290 nan 0.000 1.094 245 L N 0.960 122.000 121.223 -0.305 0.000 2.141 245 L HA 0.134 4.475 4.340 0.001 0.000 0.209 245 L C 2.526 179.324 176.870 -0.119 0.000 1.094 245 L CA 1.445 56.156 54.840 -0.216 0.000 0.763 245 L CB -0.096 41.833 42.059 -0.217 0.000 0.908 245 L HN 0.322 nan 8.230 nan 0.000 0.437 246 E N 0.429 120.577 120.200 -0.086 0.000 2.150 246 E HA -0.200 4.151 4.350 0.001 0.000 0.193 246 E C 2.202 178.835 176.600 0.056 0.000 0.985 246 E CA 0.979 57.390 56.400 0.018 0.000 0.814 246 E CB 0.094 29.812 29.700 0.031 0.000 0.752 246 E HN 0.469 nan 8.360 nan 0.000 0.466 247 A N 0.667 123.459 122.820 -0.046 0.000 1.968 247 A HA -0.036 4.285 4.320 0.001 0.000 0.217 247 A C 1.931 179.473 177.584 -0.069 0.000 1.169 247 A CA 0.539 52.539 52.037 -0.061 0.000 0.638 247 A CB -0.288 18.629 19.000 -0.137 0.000 0.812 247 A HN 0.263 nan 8.150 nan 0.000 0.446 248 L N -0.511 120.648 121.223 -0.108 0.000 2.675 248 L HA 0.042 4.382 4.340 0.001 0.000 0.239 248 L C 1.385 178.251 176.870 -0.006 0.000 1.151 248 L CA -0.105 54.682 54.840 -0.087 0.000 0.905 248 L CB 0.083 42.056 42.059 -0.144 0.000 1.057 248 L HN 0.259 nan 8.230 nan 0.000 0.435 249 L N -1.384 119.880 121.223 0.069 0.000 2.653 249 L HA 0.143 4.483 4.340 0.001 0.000 0.230 249 L C 1.888 178.900 176.870 0.237 0.000 1.055 249 L CA 0.765 55.725 54.840 0.200 0.000 0.880 249 L CB -0.464 41.766 42.059 0.284 0.000 1.195 249 L HN 0.096 nan 8.230 nan 0.000 0.492 250 N N 0.379 119.154 118.700 0.125 0.000 2.453 250 N HA -0.026 4.714 4.740 0.001 0.000 0.183 250 N C 1.315 176.764 175.510 -0.100 0.000 1.041 250 N CA 1.106 54.082 53.050 -0.123 0.000 0.900 250 N CB 0.325 38.756 38.487 -0.092 0.000 0.961 250 N HN 0.293 nan 8.380 nan 0.000 0.443 251 A N -1.053 121.747 122.820 -0.034 0.000 2.431 251 A HA 0.271 4.592 4.320 0.001 0.000 0.239 251 A C 1.395 178.973 177.584 -0.010 0.000 1.230 251 A CA -0.088 51.930 52.037 -0.031 0.000 0.928 251 A CB 0.355 19.338 19.000 -0.028 0.000 1.006 251 A HN 0.102 nan 8.150 nan 0.000 0.520 252 E N -0.177 120.033 120.200 0.016 0.000 2.453 252 E HA 0.114 4.464 4.350 0.001 0.000 0.211 252 E C 1.083 177.714 176.600 0.051 0.000 0.897 252 E CA 0.429 56.849 56.400 0.034 0.000 1.063 252 E CB 0.317 30.043 29.700 0.043 0.000 1.080 252 E HN 0.438 nan 8.360 nan 0.000 0.512 253 G N 1.901 110.750 108.800 0.081 0.000 2.491 253 G HA2 0.045 4.006 3.960 0.001 0.000 0.242 253 G HA3 0.045 4.006 3.960 0.001 0.000 0.242 253 G C -0.128 174.790 174.900 0.031 0.000 1.266 253 G CA -0.323 44.842 45.100 0.107 0.000 0.844 253 G HN -0.134 nan 8.290 nan 0.000 0.571 254 D N 1.033 121.454 120.400 0.035 0.000 2.417 254 D HA 0.116 4.757 4.640 0.001 0.000 0.250 254 D C 0.297 176.588 176.300 -0.015 0.000 1.166 254 D CA 0.502 54.507 54.000 0.007 0.000 0.881 254 D CB 1.146 41.953 40.800 0.011 0.000 1.164 254 D HN 0.282 nan 8.370 nan 0.000 0.467 255 E N 2.032 122.215 120.200 -0.028 0.000 2.220 255 E HA 0.082 4.432 4.350 0.001 0.000 0.272 255 E C 0.982 177.560 176.600 -0.037 0.000 1.099 255 E CA -0.006 56.367 56.400 -0.044 0.000 0.907 255 E CB 0.370 30.044 29.700 -0.044 0.000 1.022 255 E HN 0.418 nan 8.360 nan 0.000 0.428 256 N N 1.546 120.219 118.700 -0.044 0.000 2.228 256 N HA -0.030 4.711 4.740 0.001 0.000 0.299 256 N C -0.100 175.380 175.510 -0.050 0.000 0.829 256 N CA 0.359 53.386 53.050 -0.039 0.000 0.772 256 N CB -0.179 38.292 38.487 -0.027 0.000 2.041 256 N HN 0.450 nan 8.380 nan 0.000 1.019 257 C N 1.195 120.458 119.300 -0.061 0.000 2.822 257 C HA 0.848 5.308 4.460 0.001 0.000 0.341 257 C C 0.566 175.503 174.990 -0.090 0.000 1.301 257 C CA -1.510 57.462 59.018 -0.077 0.000 1.706 257 C CB 0.943 28.638 27.740 -0.075 0.000 2.178 257 C HN 0.361 nan 8.230 nan 0.000 0.481 258 I N 1.087 121.589 120.570 -0.112 0.000 2.471 258 I HA 0.552 4.722 4.170 0.001 0.000 0.286 258 I C -0.719 175.407 176.117 0.016 0.000 1.079 258 I CA -0.034 61.215 61.300 -0.086 0.000 1.398 258 I CB -0.677 37.172 38.000 -0.253 0.000 1.403 258 I HN 0.669 nan 8.210 nan 0.000 0.530 259 L N 6.600 127.850 121.223 0.046 0.000 2.408 259 L HA 0.685 5.025 4.340 0.001 0.000 0.268 259 L C -0.613 176.339 176.870 0.136 0.000 0.986 259 L CA -0.933 53.933 54.840 0.044 0.000 0.820 259 L CB 2.257 44.109 42.059 -0.346 0.000 1.303 259 L HN 0.335 nan 8.230 nan 0.000 0.411 260 V N 1.544 121.609 119.914 0.252 0.000 2.487 260 V HA 0.287 4.408 4.120 0.001 0.000 0.298 260 V C -0.648 175.591 176.094 0.243 0.000 1.028 260 V CA -0.571 61.860 62.300 0.217 0.000 0.860 260 V CB 2.046 33.966 31.823 0.161 0.000 0.991 260 V HN 0.931 nan 8.190 nan 0.000 0.427 261 C N 4.772 124.186 119.300 0.189 0.000 2.258 261 C HA 0.642 5.102 4.460 0.001 0.000 0.321 261 C C 0.618 175.692 174.990 0.140 0.000 1.168 261 C CA -0.195 58.931 59.018 0.181 0.000 1.531 261 C CB -0.230 27.602 27.740 0.154 0.000 2.095 261 C HN 0.967 nan 8.230 nan 0.000 0.449 262 T N 5.457 120.092 114.554 0.135 0.000 2.853 262 T HA 0.383 4.733 4.350 0.001 0.000 0.317 262 T C -0.474 174.222 174.700 -0.006 0.000 1.059 262 T CA -0.206 61.981 62.100 0.145 0.000 0.954 262 T CB -0.270 68.777 68.868 0.299 0.000 0.994 262 T HN 0.804 nan 8.240 nan 0.000 0.479 263 D N 4.057 124.432 120.400 -0.041 0.000 2.181 263 D HA 0.530 5.171 4.640 0.001 0.000 0.248 263 D C 0.088 176.313 176.300 -0.124 0.000 1.020 263 D CA -0.014 53.876 54.000 -0.183 0.000 0.891 263 D CB 1.609 42.388 40.800 -0.034 0.000 1.187 263 D HN 0.861 nan 8.370 nan 0.000 0.443 264 H N -1.686 117.472 119.070 0.148 0.000 3.054 264 H HA 0.621 5.177 4.556 0.001 0.000 0.271 264 H C -1.067 174.351 175.328 0.151 0.000 1.551 264 H CA -0.999 55.121 56.048 0.121 0.000 1.196 264 H CB 1.344 31.161 29.762 0.092 0.000 1.867 264 H HN 0.287 nan 8.280 nan 0.000 0.637 265 E N -0.927 119.475 120.200 0.337 0.000 2.369 265 E HA 0.431 4.781 4.350 0.001 0.000 0.270 265 E C -0.781 175.920 176.600 0.167 0.000 0.909 265 E CA -0.565 55.986 56.400 0.251 0.000 0.775 265 E CB 1.421 31.240 29.700 0.198 0.000 1.270 265 E HN 0.781 nan 8.360 nan 0.000 0.445 266 E N 0.023 120.309 120.200 0.144 0.000 4.289 266 E HA -0.187 4.164 4.350 0.001 0.000 0.375 266 E C 0.774 177.324 176.600 -0.082 0.000 0.624 266 E CA 0.862 57.308 56.400 0.077 0.000 1.443 266 E CB -1.312 28.449 29.700 0.101 0.000 1.807 266 E HN 0.325 nan 8.360 nan 0.000 0.378 267 V N -0.137 119.667 119.914 -0.184 0.000 2.332 267 V HA -0.212 3.909 4.120 0.001 0.000 0.248 267 V C 2.153 178.029 176.094 -0.363 0.000 1.055 267 V CA 2.327 64.438 62.300 -0.316 0.000 1.038 267 V CB -0.473 31.083 31.823 -0.444 0.000 0.651 267 V HN 0.489 nan 8.190 nan 0.000 0.450 268 G N -1.778 106.748 108.800 -0.456 0.000 3.094 268 G HA2 0.023 3.984 3.960 0.001 0.000 0.208 268 G HA3 0.023 3.984 3.960 0.001 0.000 0.208 268 G C 1.314 176.012 174.900 -0.337 0.000 1.189 268 G CA 1.058 45.941 45.100 -0.362 0.000 0.856 268 G HN 0.489 nan 8.290 nan 0.000 0.510 269 S N -2.531 113.014 115.700 -0.259 0.000 3.792 269 S HA 0.079 4.549 4.470 0.001 0.000 0.229 269 S C 1.229 175.753 174.600 -0.126 0.000 1.118 269 S CA 1.065 59.142 58.200 -0.204 0.000 0.877 269 S CB 0.226 63.328 63.200 -0.165 0.000 1.077 269 S HN 0.333 nan 8.310 nan 0.000 0.546 270 C N -0.704 118.526 119.300 -0.117 0.000 4.914 270 C HA 0.523 4.984 4.460 0.001 0.000 0.505 270 C C 1.256 176.125 174.990 -0.202 0.000 1.350 270 C CA 1.026 59.942 59.018 -0.169 0.000 2.421 270 C CB -0.183 27.441 27.740 -0.193 0.000 3.334 270 C HN 0.708 nan 8.230 nan 0.000 0.512 271 S N -0.667 114.958 115.700 -0.126 0.000 1.310 271 S HA -0.234 4.236 4.470 0.001 0.000 0.250 271 S C 0.633 175.217 174.600 -0.026 0.000 0.626 271 S CA 1.565 59.700 58.200 -0.107 0.000 1.079 271 S CB -1.497 61.623 63.200 -0.133 0.000 1.140 271 S HN 0.861 nan 8.310 nan 0.000 0.494 272 H N -0.107 118.945 119.070 -0.030 0.000 1.452 272 H HA -0.354 4.203 4.556 0.001 0.000 0.090 272 H C 1.121 176.425 175.328 -0.041 0.000 0.966 272 H CA 1.803 57.838 56.048 -0.021 0.000 1.901 272 H CB -0.754 29.006 29.762 -0.004 0.000 2.257 272 H HN 0.745 nan 8.280 nan 0.000 0.961 273 C N 1.477 120.858 119.300 0.135 0.000 2.520 273 C HA 0.371 4.831 4.460 0.001 0.000 0.369 273 C C 1.541 176.519 174.990 -0.021 0.000 1.244 273 C CA 1.115 60.143 59.018 0.017 0.000 1.677 273 C CB -1.336 26.400 27.740 -0.007 0.000 2.324 273 C HN 0.818 nan 8.230 nan 0.000 0.557 274 G N 4.133 112.872 108.800 -0.102 0.000 2.697 274 G HA2 -0.123 3.838 3.960 0.001 0.000 0.200 274 G HA3 -0.123 3.838 3.960 0.001 0.000 0.200 274 G C 0.895 175.628 174.900 -0.279 0.000 1.106 274 G CA 0.161 45.179 45.100 -0.136 0.000 0.748 274 G HN 1.349 nan 8.290 nan 0.000 0.503 275 A N -0.327 122.328 122.820 -0.274 0.000 2.252 275 A HA 0.567 4.888 4.320 0.001 0.000 0.213 275 A C 0.650 178.162 177.584 -0.120 0.000 1.188 275 A CA 1.708 53.412 52.037 -0.554 0.000 0.863 275 A CB 0.244 18.895 19.000 -0.583 0.000 0.893 275 A HN 0.628 nan 8.150 nan 0.000 0.495 276 D N -0.722 119.665 120.400 -0.022 0.000 2.429 276 D HA 0.444 5.085 4.640 0.001 0.000 0.255 276 D C -0.033 176.342 176.300 0.126 0.000 1.257 276 D CA 0.838 54.934 54.000 0.161 0.000 0.890 276 D CB 0.040 40.868 40.800 0.046 0.000 1.267 276 D HN 0.787 nan 8.370 nan 0.000 0.521 277 G N 3.117 112.023 108.800 0.177 0.000 2.850 277 G HA2 -0.080 3.880 3.960 0.001 0.000 0.686 277 G HA3 -0.080 3.880 3.960 0.001 0.000 0.686 277 G C -2.838 172.036 174.900 -0.043 0.000 1.164 277 G CA -0.873 44.292 45.100 0.107 0.000 0.826 277 G HN 0.370 nan 8.290 nan 0.000 0.586 278 P HA 0.548 nan 4.420 nan 0.000 0.297 278 P C 0.387 177.657 177.300 -0.051 0.000 1.331 278 P CA -0.806 62.296 63.100 0.004 0.000 0.803 278 P CB 0.624 32.319 31.700 -0.008 0.000 0.929 279 F N 1.271 121.247 119.950 0.043 0.000 2.558 279 F HA 0.029 4.556 4.527 0.000 0.000 0.298 279 F C 1.102 176.936 175.800 0.056 0.000 1.119 279 F CA 0.374 58.411 58.000 0.060 0.000 1.451 279 F CB -0.336 38.713 39.000 0.081 0.000 1.091 279 F HN 0.147 nan 8.300 nan 0.000 0.563 280 L N 0.480 121.816 121.223 0.189 0.000 2.483 280 L HA -0.010 4.330 4.340 0.001 0.000 0.276 280 L C 1.287 178.127 176.870 -0.050 0.000 1.213 280 L CA 0.429 55.267 54.840 -0.002 0.000 0.843 280 L CB -0.052 41.924 42.059 -0.138 0.000 1.107 280 L HN 0.253 nan 8.230 nan 0.000 0.487 281 E N -0.541 119.594 120.200 -0.108 0.000 4.976 281 E HA -0.396 3.955 4.350 0.001 0.000 0.222 281 E C 1.483 178.072 176.600 -0.019 0.000 0.944 281 E CA 1.858 58.216 56.400 -0.070 0.000 1.778 281 E CB -0.690 28.964 29.700 -0.077 0.000 1.790 281 E HN 0.843 nan 8.360 nan 0.000 0.404 282 Q N 0.216 120.017 119.800 0.002 0.000 2.167 282 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 282 Q C 2.166 178.193 176.000 0.046 0.000 0.970 282 Q CA 1.885 57.700 55.803 0.021 0.000 0.855 282 Q CB 0.250 28.999 28.738 0.019 0.000 0.911 282 Q HN 0.281 nan 8.270 nan 0.000 0.438 283 V N -0.241 119.703 119.914 0.049 0.000 2.521 283 V HA -0.006 4.115 4.120 0.001 0.000 0.239 283 V C 0.741 176.848 176.094 0.021 0.000 1.053 283 V CA 0.390 62.677 62.300 -0.022 0.000 1.073 283 V CB 0.163 31.911 31.823 -0.126 0.000 0.746 283 V HN 0.254 nan 8.190 nan 0.000 0.476 284 L N 2.129 123.407 121.223 0.091 0.000 2.352 284 L HA 0.399 4.740 4.340 0.001 0.000 0.272 284 L C 0.863 177.772 176.870 0.065 0.000 1.109 284 L CA 0.710 55.650 54.840 0.167 0.000 0.952 284 L CB 0.086 42.304 42.059 0.265 0.000 1.314 284 L HN 0.219 nan 8.230 nan 0.000 0.427 285 R N 1.854 122.404 120.500 0.083 0.000 2.508 285 R HA 0.248 4.589 4.340 0.001 0.000 0.300 285 R C -0.365 175.959 176.300 0.041 0.000 0.970 285 R CA -0.219 55.900 56.100 0.031 0.000 1.102 285 R CB 0.543 30.849 30.300 0.010 0.000 1.246 285 R HN 0.384 nan 8.270 nan 0.000 0.539 286 R N 0.071 120.624 120.500 0.088 0.000 2.599 286 R HA 0.415 4.756 4.340 0.001 0.000 0.295 286 R C -0.803 175.545 176.300 0.080 0.000 0.963 286 R CA -0.724 55.425 56.100 0.081 0.000 0.883 286 R CB 1.346 31.714 30.300 0.112 0.000 1.171 286 R HN 0.007 nan 8.270 nan 0.000 0.450 287 L N 4.000 125.254 121.223 0.051 0.000 3.181 287 L HA -0.240 4.101 4.340 0.001 0.000 0.603 287 L C -0.776 176.122 176.870 0.048 0.000 1.006 287 L CA 0.153 55.020 54.840 0.045 0.000 1.280 287 L CB -0.546 41.541 42.059 0.046 0.000 1.439 287 L HN 0.668 nan 8.230 nan 0.000 0.722 288 L N 2.493 123.735 121.223 0.031 0.000 0.735 288 L HA -0.128 4.213 4.340 0.001 0.000 0.364 288 L C -1.103 175.779 176.870 0.019 0.000 1.004 288 L CA 0.451 55.307 54.840 0.026 0.000 1.222 288 L CB -0.199 41.882 42.059 0.037 0.000 0.325 288 L HN 0.475 nan 8.230 nan 0.000 0.197 289 P HA -0.093 nan 4.420 nan 0.000 0.200 289 P C 0.377 177.651 177.300 -0.043 0.000 1.007 289 P CA 1.396 64.482 63.100 -0.024 0.000 0.916 289 P CB 0.321 32.006 31.700 -0.025 0.000 0.696 290 E N -1.802 118.375 120.200 -0.039 0.000 3.254 290 E HA 0.226 4.577 4.350 0.001 0.000 0.184 290 E C 1.236 177.841 176.600 0.009 0.000 0.967 290 E CA 0.047 56.415 56.400 -0.053 0.000 1.311 290 E CB 0.421 30.052 29.700 -0.115 0.000 1.071 290 E HN 0.281 nan 8.360 nan 0.000 0.456 291 G N 0.789 109.606 108.800 0.027 0.000 2.508 291 G HA2 -0.089 3.872 3.960 0.001 0.000 0.212 291 G HA3 -0.089 3.872 3.960 0.001 0.000 0.212 291 G C 0.973 175.910 174.900 0.062 0.000 1.206 291 G CA 0.469 45.592 45.100 0.038 0.000 0.822 291 G HN 0.022 nan 8.290 nan 0.000 0.550 292 D N -0.155 120.286 120.400 0.069 0.000 2.503 292 D HA 0.333 4.973 4.640 0.001 0.000 0.218 292 D C 2.138 178.506 176.300 0.114 0.000 1.183 292 D CA 0.397 54.447 54.000 0.082 0.000 0.827 292 D CB 0.967 41.802 40.800 0.057 0.000 1.034 292 D HN 0.241 nan 8.370 nan 0.000 0.510 293 A N 0.538 123.439 122.820 0.134 0.000 1.873 293 A HA -0.051 4.270 4.320 0.001 0.000 0.215 293 A C 1.086 178.872 177.584 0.335 0.000 1.186 293 A CA 0.867 53.017 52.037 0.188 0.000 0.616 293 A CB -0.220 18.870 19.000 0.149 0.000 0.823 293 A HN 0.047 nan 8.150 nan 0.000 0.442 294 F N -0.768 119.223 119.950 0.068 0.000 2.139 294 F HA 0.413 4.941 4.527 0.001 0.000 0.273 294 F C 2.063 177.896 175.800 0.055 0.000 1.058 294 F CA -0.447 57.594 58.000 0.068 0.000 1.149 294 F CB 0.048 39.079 39.000 0.051 0.000 1.739 294 F HN 0.343 nan 8.300 nan 0.000 0.536 295 S N -0.034 115.737 115.700 0.119 0.000 4.148 295 S HA -0.401 4.069 4.470 0.001 0.000 0.515 295 S C 1.871 176.476 174.600 0.007 0.000 1.828 295 S CA 1.997 60.220 58.200 0.039 0.000 4.202 295 S CB -1.054 62.193 63.200 0.078 0.000 0.562 295 S HN 0.642 nan 8.310 nan 0.000 0.454 296 R N 1.517 122.042 120.500 0.041 0.000 2.091 296 R HA -0.008 4.332 4.340 0.001 0.000 0.238 296 R C 2.603 178.914 176.300 0.018 0.000 1.136 296 R CA 1.611 57.727 56.100 0.028 0.000 0.959 296 R CB -0.460 29.864 30.300 0.040 0.000 0.856 296 R HN 0.599 nan 8.270 nan 0.000 0.437 297 A N 1.415 124.260 122.820 0.041 0.000 1.898 297 A HA -0.064 4.257 4.320 0.001 0.000 0.214 297 A C 2.177 179.778 177.584 0.028 0.000 1.183 297 A CA 1.041 53.111 52.037 0.055 0.000 0.622 297 A CB -0.433 18.657 19.000 0.149 0.000 0.824 297 A HN 0.411 nan 8.150 nan 0.000 0.444 298 I N -3.584 116.935 120.570 -0.085 0.000 2.676 298 I HA -0.117 4.053 4.170 0.001 0.000 0.259 298 I C 1.791 177.840 176.117 -0.113 0.000 1.194 298 I CA 1.156 62.348 61.300 -0.180 0.000 1.473 298 I CB -0.329 37.360 38.000 -0.519 0.000 1.096 298 I HN 0.086 nan 8.210 nan 0.000 0.443 299 Q N 0.937 120.690 119.800 -0.080 0.000 2.389 299 Q HA 0.069 4.410 4.340 0.001 0.000 0.204 299 Q C 1.834 177.807 176.000 -0.045 0.000 0.944 299 Q CA 0.570 56.338 55.803 -0.058 0.000 0.908 299 Q CB -0.074 28.639 28.738 -0.042 0.000 1.002 299 Q HN 0.469 nan 8.270 nan 0.000 0.493 300 R N 0.199 120.681 120.500 -0.030 0.000 2.334 300 R HA 0.213 4.554 4.340 0.001 0.000 0.216 300 R C 0.017 176.310 176.300 -0.012 0.000 0.905 300 R CA 0.057 56.142 56.100 -0.026 0.000 1.064 300 R CB 0.487 30.776 30.300 -0.019 0.000 1.046 300 R HN 0.023 nan 8.270 nan 0.000 0.508 301 S N -0.069 115.634 115.700 0.005 0.000 2.745 301 S HA 0.529 4.999 4.470 0.001 0.000 0.292 301 S C -0.487 174.135 174.600 0.036 0.000 1.133 301 S CA -0.529 57.707 58.200 0.060 0.000 0.998 301 S CB 1.928 65.194 63.200 0.110 0.000 1.087 301 S HN 0.204 nan 8.310 nan 0.000 0.551 302 L N 2.176 123.467 121.223 0.114 0.000 2.611 302 L HA 0.465 4.805 4.340 0.001 0.000 0.263 302 L C -1.567 175.409 176.870 0.176 0.000 0.969 302 L CA -0.563 54.349 54.840 0.120 0.000 0.894 302 L CB 1.219 43.384 42.059 0.177 0.000 1.229 302 L HN 0.537 nan 8.230 nan 0.000 0.416 303 L N 5.554 126.796 121.223 0.031 0.000 2.371 303 L HA 0.691 5.032 4.340 0.001 0.000 0.272 303 L C -0.983 175.792 176.870 -0.157 0.000 1.124 303 L CA 0.157 54.983 54.840 -0.023 0.000 0.816 303 L CB 1.644 43.653 42.059 -0.083 0.000 1.129 303 L HN 0.331 nan 8.230 nan 0.000 0.448 304 V N 3.461 123.235 119.914 -0.234 0.000 2.588 304 V HA 0.588 4.708 4.120 0.001 0.000 0.304 304 V C -0.449 175.482 176.094 -0.273 0.000 1.042 304 V CA -0.583 61.467 62.300 -0.417 0.000 0.877 304 V CB 1.975 33.312 31.823 -0.810 0.000 0.996 304 V HN 0.918 nan 8.190 nan 0.000 0.425 305 S N 2.716 118.260 115.700 -0.260 0.000 2.451 305 S HA 0.802 5.273 4.470 0.001 0.000 0.301 305 S C -0.053 174.444 174.600 -0.172 0.000 1.116 305 S CA -0.479 57.618 58.200 -0.171 0.000 1.093 305 S CB 1.785 64.898 63.200 -0.145 0.000 1.017 305 S HN 1.182 nan 8.310 nan 0.000 0.482 306 A N 2.531 125.292 122.820 -0.099 0.000 2.690 306 A HA 0.547 4.868 4.320 0.001 0.000 0.342 306 A C -0.089 177.405 177.584 -0.150 0.000 1.410 306 A CA -0.581 51.453 52.037 -0.005 0.000 0.958 306 A CB -0.208 18.881 19.000 0.149 0.000 1.153 306 A HN 0.838 nan 8.150 nan 0.000 0.497 307 D N 1.045 121.307 120.400 -0.228 0.000 2.481 307 D HA 0.394 5.035 4.640 0.001 0.000 0.283 307 D C -0.414 175.611 176.300 -0.458 0.000 1.192 307 D CA -0.178 53.616 54.000 -0.343 0.000 1.100 307 D CB 0.620 41.270 40.800 -0.250 0.000 1.166 307 D HN 0.378 nan 8.370 nan 0.000 0.584 308 N N -0.654 117.850 118.700 -0.325 0.000 2.519 308 N HA 0.599 5.339 4.740 0.001 0.000 0.286 308 N C -1.417 173.905 175.510 -0.312 0.000 1.079 308 N CA -0.495 52.398 53.050 -0.261 0.000 0.878 308 N CB 1.955 40.312 38.487 -0.216 0.000 1.375 308 N HN 0.414 nan 8.380 nan 0.000 0.514 309 A N 1.343 124.017 122.820 -0.243 0.000 2.304 309 A HA 0.350 4.671 4.320 0.001 0.000 0.271 309 A C 0.481 177.856 177.584 -0.349 0.000 1.091 309 A CA -0.200 51.656 52.037 -0.302 0.000 0.812 309 A CB 0.403 19.318 19.000 -0.142 0.000 1.056 309 A HN 0.746 nan 8.150 nan 0.000 0.489 310 H N 1.397 120.353 119.070 -0.190 0.000 2.273 310 H HA 0.290 4.847 4.556 0.002 0.000 0.311 310 H C 1.367 176.630 175.328 -0.110 0.000 1.057 310 H CA 1.182 56.995 56.048 -0.392 0.000 1.360 310 H CB -0.504 28.817 29.762 -0.735 0.000 1.414 310 H HN 1.345 nan 8.280 nan 0.000 0.516 311 G N 0.712 109.555 108.800 0.073 0.000 2.767 311 G HA2 -0.184 3.777 3.960 0.001 0.000 0.686 311 G HA3 -0.184 3.777 3.960 0.001 0.000 0.686 311 G C 0.011 175.185 174.900 0.455 0.000 1.213 311 G CA -0.133 45.023 45.100 0.094 0.000 0.803 311 G HN 0.559 nan 8.290 nan 0.000 0.603 312 V N 0.592 120.769 119.914 0.439 0.000 2.625 312 V HA 0.193 4.314 4.120 0.001 0.000 0.305 312 V C 1.118 177.505 176.094 0.487 0.000 1.055 312 V CA 0.122 62.757 62.300 0.559 0.000 1.209 312 V CB 0.628 32.622 31.823 0.285 0.000 0.877 312 V HN 1.004 nan 8.190 nan 0.000 0.489 313 H N 8.704 128.027 119.070 0.422 0.000 2.646 313 H HA 0.282 4.839 4.556 0.002 0.000 0.325 313 H C -1.525 173.866 175.328 0.105 0.000 1.075 313 H CA -1.790 54.377 56.048 0.199 0.000 1.421 313 H CB 2.197 31.951 29.762 -0.013 0.000 1.461 313 H HN 0.535 nan 8.280 nan 0.000 0.525 314 P HA -0.110 nan 4.420 nan 0.000 0.222 314 P C 0.527 177.882 177.300 0.092 0.000 1.147 314 P CA 1.077 64.238 63.100 0.101 0.000 0.790 314 P CB 0.730 32.448 31.700 0.030 0.000 0.780 315 N N -1.370 117.433 118.700 0.172 0.000 2.482 315 N HA -0.006 4.734 4.740 0.001 0.000 0.179 315 N C 0.134 175.392 175.510 -0.420 0.000 1.039 315 N CA 0.502 53.421 53.050 -0.219 0.000 0.884 315 N CB 0.026 38.232 38.487 -0.468 0.000 1.113 315 N HN 0.245 nan 8.380 nan 0.000 0.440 316 Y N 1.036 121.279 120.300 -0.094 0.000 2.850 316 Y HA 0.455 5.004 4.550 -0.000 0.000 0.360 316 Y C 1.181 177.092 175.900 0.019 0.000 1.174 316 Y CA -0.696 57.325 58.100 -0.132 0.000 1.373 316 Y CB 0.307 38.564 38.460 -0.339 0.000 1.487 316 Y HN 0.015 nan 8.280 nan 0.000 0.553 317 A N 0.296 123.192 122.820 0.126 0.000 2.066 317 A HA -0.133 4.188 4.320 0.001 0.000 0.218 317 A C 1.516 179.171 177.584 0.118 0.000 1.157 317 A CA 1.371 53.486 52.037 0.130 0.000 0.670 317 A CB -0.222 18.820 19.000 0.070 0.000 0.804 317 A HN 0.620 nan 8.150 nan 0.000 0.453 318 D N -1.451 119.003 120.400 0.090 0.000 2.690 318 D HA 0.063 4.703 4.640 0.001 0.000 0.236 318 D C 0.632 176.963 176.300 0.051 0.000 1.218 318 D CA -0.166 53.874 54.000 0.067 0.000 0.829 318 D CB -0.005 40.822 40.800 0.045 0.000 1.009 318 D HN 0.196 nan 8.370 nan 0.000 0.482 319 R N -0.315 120.212 120.500 0.044 0.000 2.509 319 R HA 0.222 4.563 4.340 0.001 0.000 0.297 319 R C -0.128 176.044 176.300 -0.214 0.000 0.951 319 R CA -0.099 55.952 56.100 -0.082 0.000 1.103 319 R CB 0.432 30.663 30.300 -0.114 0.000 1.283 319 R HN 0.373 nan 8.270 nan 0.000 0.534 320 H N -0.283 118.886 119.070 0.165 0.000 2.931 320 H HA 0.329 4.886 4.556 0.002 0.000 0.331 320 H C -0.883 174.535 175.328 0.151 0.000 1.273 320 H CA -0.957 55.204 56.048 0.188 0.000 1.171 320 H CB 2.005 31.906 29.762 0.233 0.000 1.898 320 H HN -0.036 nan 8.280 nan 0.000 0.562 321 D N 0.259 120.862 120.400 0.337 0.000 2.859 321 D HA 0.404 5.044 4.640 0.001 0.000 0.223 321 D C 0.544 176.916 176.300 0.120 0.000 1.218 321 D CA -0.063 54.042 54.000 0.176 0.000 0.850 321 D CB 1.977 42.857 40.800 0.133 0.000 1.656 321 D HN 0.834 nan 8.370 nan 0.000 0.484 322 A N 3.421 126.273 122.820 0.054 0.000 4.404 322 A HA -0.395 3.926 4.320 0.001 0.000 0.367 322 A C 0.376 178.040 177.584 0.133 0.000 1.591 322 A CA 2.247 54.306 52.037 0.035 0.000 0.807 322 A CB -2.641 16.340 19.000 -0.032 0.000 1.524 322 A HN 1.001 nan 8.150 nan 0.000 0.540 323 N N 2.361 121.108 118.700 0.078 0.000 2.431 323 N HA 0.476 5.217 4.740 0.001 0.000 0.265 323 N C -0.156 175.501 175.510 0.244 0.000 1.184 323 N CA 0.874 54.006 53.050 0.136 0.000 0.943 323 N CB 0.198 38.690 38.487 0.009 0.000 1.080 323 N HN 1.070 nan 8.380 nan 0.000 0.477 324 H N -0.469 118.612 119.070 0.018 0.000 4.071 324 H HA 0.839 5.396 4.556 0.001 0.000 0.384 324 H C -0.178 175.112 175.328 -0.063 0.000 1.441 324 H CA -1.427 54.581 56.048 -0.067 0.000 1.200 324 H CB 0.731 30.474 29.762 -0.031 0.000 0.860 324 H HN 0.584 nan 8.280 nan 0.000 0.765 325 G N 1.256 109.931 108.800 -0.209 0.000 3.247 325 G HA2 0.181 4.142 3.960 0.001 0.000 0.243 325 G HA3 0.181 4.142 3.960 0.001 0.000 0.243 325 G C -3.373 171.513 174.900 -0.023 0.000 3.838 325 G CA -0.587 44.399 45.100 -0.189 0.000 0.438 325 G HN 0.467 nan 8.290 nan 0.000 0.304 326 P HA 0.449 nan 4.420 nan 0.000 0.272 326 P C 0.765 178.106 177.300 0.069 0.000 1.230 326 P CA 0.051 63.212 63.100 0.102 0.000 0.788 326 P CB 1.092 32.865 31.700 0.122 0.000 0.949 327 A N 1.824 124.702 122.820 0.098 0.000 2.429 327 A HA 0.238 4.558 4.320 0.001 0.000 0.242 327 A C 0.510 178.153 177.584 0.099 0.000 1.088 327 A CA 0.040 52.138 52.037 0.102 0.000 0.784 327 A CB -1.065 18.003 19.000 0.114 0.000 1.038 327 A HN 0.569 nan 8.150 nan 0.000 0.501 328 L N -0.393 120.911 121.223 0.135 0.000 3.754 328 L HA -0.166 4.174 4.340 0.001 0.000 0.410 328 L C -0.303 176.645 176.870 0.130 0.000 1.230 328 L CA 0.910 55.854 54.840 0.173 0.000 0.901 328 L CB -2.272 39.871 42.059 0.141 0.000 1.982 328 L HN 0.824 nan 8.230 nan 0.000 0.822 329 N N -1.037 117.735 118.700 0.121 0.000 2.525 329 N HA 0.716 5.457 4.740 0.001 0.000 0.270 329 N C 0.396 175.911 175.510 0.008 0.000 1.321 329 N CA -0.003 53.025 53.050 -0.037 0.000 0.797 329 N CB 1.500 39.937 38.487 -0.084 0.000 1.529 329 N HN 0.108 nan 8.380 nan 0.000 0.491 330 G N -0.932 107.735 108.800 -0.222 0.000 2.684 330 G HA2 0.350 4.311 3.960 0.001 0.000 0.255 330 G HA3 0.350 4.311 3.960 0.001 0.000 0.255 330 G C 0.343 175.248 174.900 0.009 0.000 1.219 330 G CA -0.309 44.740 45.100 -0.084 0.000 0.901 330 G HN 0.463 nan 8.290 nan 0.000 0.548 331 G N 0.380 109.219 108.800 0.066 0.000 2.298 331 G HA2 0.433 4.393 3.960 0.001 0.000 0.263 331 G HA3 0.433 4.393 3.960 0.001 0.000 0.263 331 G C -2.456 172.497 174.900 0.089 0.000 1.229 331 G CA -0.483 44.681 45.100 0.106 0.000 0.976 331 G HN 0.411 nan 8.290 nan 0.000 0.459 332 P HA 0.159 nan 4.420 nan 0.000 0.276 332 P C 0.038 177.378 177.300 0.067 0.000 1.235 332 P CA -0.489 62.633 63.100 0.036 0.000 0.772 332 P CB 1.386 33.086 31.700 -0.001 0.000 0.871 333 V N 5.746 125.716 119.914 0.093 0.000 2.381 333 V HA 0.064 4.184 4.120 0.001 0.000 0.257 333 V C 0.725 176.878 176.094 0.099 0.000 1.057 333 V CA 0.023 62.388 62.300 0.108 0.000 1.013 333 V CB -0.948 30.957 31.823 0.138 0.000 1.069 333 V HN 0.389 nan 8.190 nan 0.000 0.484 334 I N 5.453 126.067 120.570 0.074 0.000 2.396 334 I HA 0.285 4.455 4.170 0.001 0.000 0.289 334 I C 0.447 176.640 176.117 0.127 0.000 1.056 334 I CA 0.167 61.524 61.300 0.094 0.000 1.365 334 I CB 0.249 38.310 38.000 0.102 0.000 1.407 334 I HN 0.471 nan 8.210 nan 0.000 0.509 335 K N 7.918 128.370 120.400 0.086 0.000 2.559 335 K HA 0.655 4.976 4.320 0.001 0.000 0.249 335 K C -1.085 175.469 176.600 -0.077 0.000 0.958 335 K CA -0.301 56.027 56.287 0.070 0.000 0.901 335 K CB 1.630 34.225 32.500 0.158 0.000 1.124 335 K HN 0.514 nan 8.250 nan 0.000 0.437 336 I N 2.327 122.755 120.570 -0.236 0.000 2.647 336 I HA 0.260 4.431 4.170 0.001 0.000 0.295 336 I C 0.469 176.427 176.117 -0.265 0.000 1.078 336 I CA -0.605 60.457 61.300 -0.397 0.000 1.048 336 I CB 1.948 39.408 38.000 -0.899 0.000 1.239 336 I HN 0.688 nan 8.210 nan 0.000 0.421 337 N N 2.240 120.842 118.700 -0.164 0.000 2.104 337 N HA -0.041 4.699 4.740 0.001 0.000 0.227 337 N C 1.020 176.482 175.510 -0.080 0.000 1.321 337 N CA 0.179 53.172 53.050 -0.095 0.000 0.877 337 N CB 0.406 38.871 38.487 -0.037 0.000 1.117 337 N HN 0.591 nan 8.380 nan 0.000 0.486 338 S N 2.149 117.797 115.700 -0.087 0.000 2.436 338 S HA -0.074 4.397 4.470 0.001 0.000 0.208 338 S C 1.216 175.781 174.600 -0.058 0.000 1.063 338 S CA 0.958 59.124 58.200 -0.056 0.000 1.120 338 S CB -0.493 62.681 63.200 -0.043 0.000 1.053 338 S HN 0.245 nan 8.310 nan 0.000 0.407 339 N N 0.242 118.899 118.700 -0.072 0.000 2.291 339 N HA 0.333 5.073 4.740 0.001 0.000 0.244 339 N C 0.648 176.121 175.510 -0.062 0.000 1.216 339 N CA 0.004 53.022 53.050 -0.053 0.000 0.879 339 N CB 0.763 39.228 38.487 -0.037 0.000 1.167 339 N HN 0.610 nan 8.380 nan 0.000 0.515 340 Q N -0.547 119.187 119.800 -0.110 0.000 2.527 340 Q HA 0.278 4.619 4.340 0.001 0.000 0.252 340 Q C -0.419 175.534 176.000 -0.080 0.000 0.827 340 Q CA -0.337 55.409 55.803 -0.095 0.000 0.979 340 Q CB 1.066 29.684 28.738 -0.199 0.000 1.248 340 Q HN -0.009 nan 8.270 nan 0.000 0.578 341 R N 1.580 121.969 120.500 -0.184 0.000 2.709 341 R HA -0.182 4.159 4.340 0.001 0.000 0.275 341 R C -1.492 174.832 176.300 0.040 0.000 0.947 341 R CA 0.498 56.536 56.100 -0.104 0.000 0.784 341 R CB -1.496 28.782 30.300 -0.037 0.000 2.000 341 R HN 0.368 nan 8.270 nan 0.000 0.517 342 Y N 0.660 120.932 120.300 -0.046 0.000 2.314 342 Y HA 0.352 4.902 4.550 0.000 0.000 0.359 342 Y C 1.789 177.662 175.900 -0.045 0.000 1.360 342 Y CA -0.666 57.403 58.100 -0.051 0.000 1.697 342 Y CB 0.240 38.661 38.460 -0.064 0.000 1.630 342 Y HN 0.564 nan 8.280 nan 0.000 0.583 343 A N -0.116 122.786 122.820 0.136 0.000 3.656 343 A HA 0.242 4.562 4.320 0.001 0.000 0.151 343 A C 0.204 177.816 177.584 0.047 0.000 1.657 343 A CA 0.387 52.452 52.037 0.047 0.000 1.148 343 A CB -1.149 17.848 19.000 -0.005 0.000 1.569 343 A HN 0.803 nan 8.150 nan 0.000 0.709 344 T N 0.878 115.443 114.554 0.019 0.000 1.190 344 T HA -0.116 4.235 4.350 0.001 0.000 0.698 344 T C -0.176 174.546 174.700 0.037 0.000 0.975 344 T CA 0.881 62.997 62.100 0.027 0.000 3.698 344 T CB -1.785 67.111 68.868 0.046 0.000 2.099 344 T HN 1.147 nan 8.240 nan 0.000 0.381 345 N N 0.768 119.487 118.700 0.032 0.000 3.084 345 N HA 0.657 5.398 4.740 0.001 0.000 0.336 345 N C 1.406 176.945 175.510 0.049 0.000 1.391 345 N CA -0.208 52.863 53.050 0.034 0.000 0.712 345 N CB 0.031 38.529 38.487 0.019 0.000 1.248 345 N HN 0.203 nan 8.380 nan 0.000 0.545 346 S N -0.276 115.450 115.700 0.044 0.000 2.338 346 S HA -0.153 4.318 4.470 0.001 0.000 0.218 346 S C 1.107 175.753 174.600 0.077 0.000 1.032 346 S CA 1.372 59.604 58.200 0.053 0.000 0.999 346 S CB -0.794 62.430 63.200 0.040 0.000 0.905 346 S HN 0.783 nan 8.310 nan 0.000 0.439 347 E N 0.928 121.170 120.200 0.070 0.000 2.416 347 E HA 0.114 4.465 4.350 0.001 0.000 0.189 347 E C 0.467 177.140 176.600 0.121 0.000 1.091 347 E CA 0.429 56.890 56.400 0.102 0.000 0.889 347 E CB -0.246 29.484 29.700 0.050 0.000 1.015 347 E HN 0.314 nan 8.360 nan 0.000 0.479 348 T N 0.170 114.794 114.554 0.116 0.000 3.085 348 T HA 0.189 4.539 4.350 0.001 0.000 0.241 348 T C 1.916 176.727 174.700 0.186 0.000 0.988 348 T CA 0.550 62.724 62.100 0.123 0.000 1.117 348 T CB 0.157 69.053 68.868 0.046 0.000 0.978 348 T HN 0.311 nan 8.240 nan 0.000 0.454 349 A N 1.436 124.346 122.820 0.150 0.000 1.930 349 A HA 0.193 4.514 4.320 0.001 0.000 0.217 349 A C 2.437 180.129 177.584 0.180 0.000 1.175 349 A CA 1.858 53.991 52.037 0.160 0.000 0.627 349 A CB -1.229 17.840 19.000 0.116 0.000 0.815 349 A HN 0.486 nan 8.150 nan 0.000 0.443 350 G N -2.287 106.617 108.800 0.174 0.000 2.448 350 G HA2 -0.093 3.867 3.960 0.001 0.000 0.218 350 G HA3 -0.093 3.867 3.960 0.001 0.000 0.218 350 G C 1.235 176.262 174.900 0.212 0.000 1.135 350 G CA 0.798 45.994 45.100 0.160 0.000 0.784 350 G HN 0.432 nan 8.290 nan 0.000 0.543 351 F N -0.815 119.221 119.950 0.143 0.000 2.789 351 F HA 0.445 4.972 4.527 0.001 0.000 0.300 351 F C 0.447 176.391 175.800 0.240 0.000 1.132 351 F CA -0.266 57.842 58.000 0.181 0.000 1.404 351 F CB 0.418 39.516 39.000 0.164 0.000 1.114 351 F HN 0.061 nan 8.300 nan 0.000 0.584 352 F N 0.564 120.607 119.950 0.154 0.000 2.577 352 F HA 0.340 4.868 4.527 0.001 0.000 0.342 352 F C 0.845 176.660 175.800 0.024 0.000 1.479 352 F CA -0.211 57.825 58.000 0.060 0.000 1.110 352 F CB -0.190 38.827 39.000 0.029 0.000 1.306 352 F HN -0.137 nan 8.300 nan 0.000 0.554 353 R N -1.101 119.369 120.500 -0.050 0.000 3.071 353 R HA -0.000 4.340 4.340 0.001 0.000 0.138 353 R C 1.556 177.814 176.300 -0.070 0.000 0.826 353 R CA 0.257 56.320 56.100 -0.062 0.000 1.659 353 R CB -0.306 30.013 30.300 0.032 0.000 1.678 353 R HN 0.477 nan 8.270 nan 0.000 0.514 354 H N 1.169 120.158 119.070 -0.135 0.000 2.403 354 H HA 0.012 4.568 4.556 0.001 0.000 0.298 354 H C 1.674 176.885 175.328 -0.195 0.000 1.059 354 H CA 1.100 57.056 56.048 -0.152 0.000 1.363 354 H CB 0.499 30.169 29.762 -0.153 0.000 1.410 354 H HN 0.180 nan 8.280 nan 0.000 0.528 355 L N 0.932 121.923 121.223 -0.386 0.000 2.201 355 L HA -0.134 4.206 4.340 0.001 0.000 0.212 355 L C 2.578 179.210 176.870 -0.396 0.000 1.105 355 L CA 1.182 55.770 54.840 -0.419 0.000 0.775 355 L CB -1.232 40.667 42.059 -0.267 0.000 0.913 355 L HN 0.447 nan 8.230 nan 0.000 0.440 356 C N -0.434 118.612 119.300 -0.424 0.000 2.505 356 C HA -0.107 4.354 4.460 0.001 0.000 0.279 356 C C 2.793 177.642 174.990 -0.236 0.000 1.316 356 C CA 0.730 59.529 59.018 -0.364 0.000 1.720 356 C CB -0.321 27.178 27.740 -0.402 0.000 2.050 356 C HN 0.622 nan 8.230 nan 0.000 0.493 357 Q N -0.012 119.666 119.800 -0.204 0.000 2.119 357 Q HA -0.202 4.138 4.340 0.001 0.000 0.201 357 Q C 1.917 177.832 176.000 -0.142 0.000 0.972 357 Q CA 1.741 57.464 55.803 -0.133 0.000 0.847 357 Q CB -0.369 28.333 28.738 -0.061 0.000 0.903 357 Q HN 0.677 nan 8.270 nan 0.000 0.433 358 D N -0.488 119.772 120.400 -0.232 0.000 2.144 358 D HA -0.076 4.564 4.640 0.001 0.000 0.199 358 D C 0.534 176.746 176.300 -0.145 0.000 0.984 358 D CA 0.905 54.775 54.000 -0.216 0.000 0.834 358 D CB 0.209 40.790 40.800 -0.365 0.000 0.955 358 D HN 0.105 nan 8.370 nan 0.000 0.465 359 S N 0.547 116.157 115.700 -0.150 0.000 2.573 359 S HA 0.137 4.607 4.470 0.001 0.000 0.244 359 S C -0.713 173.841 174.600 -0.077 0.000 0.984 359 S CA -0.259 57.882 58.200 -0.098 0.000 1.001 359 S CB 0.490 63.635 63.200 -0.092 0.000 0.788 359 S HN 0.225 nan 8.310 nan 0.000 0.456 360 E N 0.434 120.585 120.200 -0.083 0.000 7.548 360 E HA -0.134 4.216 4.350 0.001 0.000 0.443 360 E C 0.148 176.694 176.600 -0.090 0.000 0.387 360 E CA 0.110 56.470 56.400 -0.068 0.000 0.714 360 E CB -0.638 29.041 29.700 -0.034 0.000 0.961 360 E HN 0.302 nan 8.360 nan 0.000 0.264 361 V N -0.031 119.818 119.914 -0.109 0.000 3.923 361 V HA 0.473 4.593 4.120 0.001 0.000 0.264 361 V C -1.733 174.230 176.094 -0.217 0.000 0.897 361 V CA -0.469 61.742 62.300 -0.148 0.000 0.882 361 V CB -0.435 31.311 31.823 -0.129 0.000 1.206 361 V HN 0.629 nan 8.190 nan 0.000 0.396 362 P HA 0.474 nan 4.420 nan 0.000 0.297 362 P C -0.917 176.271 177.300 -0.186 0.000 1.319 362 P CA -0.202 62.774 63.100 -0.208 0.000 0.810 362 P CB 1.462 33.039 31.700 -0.206 0.000 0.947 363 V N 4.066 123.899 119.914 -0.133 0.000 2.439 363 V HA 0.269 4.390 4.120 0.001 0.000 0.282 363 V C -0.041 176.013 176.094 -0.066 0.000 1.039 363 V CA -0.020 62.224 62.300 -0.094 0.000 0.913 363 V CB 1.101 32.869 31.823 -0.093 0.000 0.983 363 V HN 0.540 nan 8.190 nan 0.000 0.460 364 Q N 3.515 123.287 119.800 -0.047 0.000 2.823 364 Q HA 0.813 5.153 4.340 0.001 0.000 0.230 364 Q C -0.846 175.157 176.000 0.006 0.000 1.026 364 Q CA -0.649 55.124 55.803 -0.050 0.000 0.940 364 Q CB 2.131 30.811 28.738 -0.097 0.000 1.382 364 Q HN 0.926 nan 8.270 nan 0.000 0.502 365 S N -0.805 114.908 115.700 0.022 0.000 2.547 365 S HA 0.672 5.143 4.470 0.001 0.000 0.270 365 S C -0.985 173.737 174.600 0.203 0.000 1.150 365 S CA -0.791 57.473 58.200 0.105 0.000 0.850 365 S CB 1.128 64.394 63.200 0.109 0.000 1.118 365 S HN 0.693 nan 8.310 nan 0.000 0.461 366 F N -0.396 119.560 119.950 0.011 0.000 2.183 366 F HA -0.144 4.383 4.527 0.000 0.000 0.318 366 F C 0.478 176.293 175.800 0.024 0.000 1.277 366 F CA 0.816 58.834 58.000 0.029 0.000 0.914 366 F CB -0.412 38.609 39.000 0.035 0.000 4.133 366 F HN 0.833 nan 8.300 nan 0.000 0.140 367 V N 1.233 121.013 119.914 -0.222 0.000 3.406 367 V HA 0.180 4.300 4.120 0.001 0.000 0.266 367 V C 0.122 176.302 176.094 0.143 0.000 1.697 367 V CA 1.287 63.593 62.300 0.010 0.000 1.046 367 V CB 0.896 32.730 31.823 0.019 0.000 0.879 367 V HN 0.990 nan 8.190 nan 0.000 0.399 368 T N 0.126 114.526 114.554 -0.256 0.000 2.844 368 T HA 0.652 5.002 4.350 0.001 0.000 0.274 368 T C -0.471 174.313 174.700 0.140 0.000 0.991 368 T CA -0.481 61.548 62.100 -0.117 0.000 0.983 368 T CB 1.653 70.343 68.868 -0.296 0.000 1.310 368 T HN 0.340 nan 8.240 nan 0.000 0.596 369 R N -0.099 120.468 120.500 0.112 0.000 2.837 369 R HA 0.483 4.823 4.340 0.001 0.000 0.271 369 R C 1.201 177.579 176.300 0.129 0.000 0.993 369 R CA -0.707 55.502 56.100 0.182 0.000 0.931 369 R CB 1.642 32.005 30.300 0.106 0.000 1.206 369 R HN 0.588 nan 8.270 nan 0.000 0.474 370 S N 0.499 116.282 115.700 0.138 0.000 2.368 370 S HA -0.187 4.283 4.470 0.001 0.000 0.225 370 S C 1.172 175.799 174.600 0.045 0.000 1.030 370 S CA 1.900 60.155 58.200 0.091 0.000 0.999 370 S CB -0.117 63.129 63.200 0.076 0.000 0.844 370 S HN 0.683 nan 8.310 nan 0.000 0.459 371 D N -0.076 120.347 120.400 0.038 0.000 2.162 371 D HA 0.120 4.761 4.640 0.001 0.000 0.205 371 D C 1.114 177.418 176.300 0.006 0.000 0.964 371 D CA 0.587 54.598 54.000 0.018 0.000 0.847 371 D CB 0.076 40.885 40.800 0.016 0.000 0.988 371 D HN 0.252 nan 8.370 nan 0.000 0.480 372 M N -0.654 118.951 119.600 0.007 0.000 2.066 372 M HA 0.405 4.885 4.480 0.001 0.000 0.203 372 M C -0.095 176.192 176.300 -0.021 0.000 1.145 372 M CA 0.624 55.917 55.300 -0.012 0.000 1.084 372 M CB 0.840 33.428 32.600 -0.020 0.000 1.177 372 M HN 0.188 nan 8.290 nan 0.000 0.588 373 G N 0.595 109.374 108.800 -0.034 0.000 3.190 373 G HA2 -0.057 3.903 3.960 0.001 0.000 0.686 373 G HA3 -0.057 3.903 3.960 0.001 0.000 0.686 373 G C -1.041 173.840 174.900 -0.032 0.000 1.033 373 G CA -0.531 44.546 45.100 -0.039 0.000 0.797 373 G HN 1.291 nan 8.290 nan 0.000 0.567 374 C N 2.415 121.706 119.300 -0.014 0.000 2.686 374 C HA 1.018 5.479 4.460 0.001 0.000 0.318 374 C C 1.786 176.790 174.990 0.024 0.000 1.160 374 C CA 0.445 59.458 59.018 -0.009 0.000 1.396 374 C CB 1.258 28.983 27.740 -0.025 0.000 1.924 374 C HN 3.007 nan 8.230 nan 0.000 0.471 375 G N 2.409 111.224 108.800 0.025 0.000 2.699 375 G HA2 -0.260 3.700 3.960 0.001 0.000 0.351 375 G HA3 -0.260 3.700 3.960 0.001 0.000 0.351 375 G C 0.844 175.818 174.900 0.124 0.000 1.191 375 G CA 2.085 47.213 45.100 0.047 0.000 0.953 375 G HN 2.854 nan 8.290 nan 0.000 0.557 376 S N -0.551 115.189 115.700 0.067 0.000 3.608 376 S HA -0.138 4.333 4.470 0.001 0.000 0.382 376 S C 0.725 175.293 174.600 -0.054 0.000 0.945 376 S CA 1.747 59.957 58.200 0.016 0.000 1.256 376 S CB -1.887 61.348 63.200 0.058 0.000 0.913 376 S HN 2.494 nan 8.310 nan 0.000 0.518 377 T N 1.622 116.152 114.554 -0.041 0.000 4.099 377 T HA 0.396 4.746 4.350 0.001 0.000 0.223 377 T C 0.878 175.510 174.700 -0.113 0.000 0.968 377 T CA -0.247 61.818 62.100 -0.058 0.000 0.966 377 T CB -0.681 68.162 68.868 -0.041 0.000 1.328 377 T HN 0.765 nan 8.240 nan 0.000 0.783 378 I N -0.154 120.302 120.570 -0.191 0.000 2.505 378 I HA 0.460 4.631 4.170 0.001 0.000 0.287 378 I C 1.098 177.170 176.117 -0.074 0.000 1.104 378 I CA 0.018 61.235 61.300 -0.138 0.000 1.387 378 I CB -0.897 36.991 38.000 -0.187 0.000 1.404 378 I HN 0.608 nan 8.210 nan 0.000 0.528 379 G N 9.057 117.871 108.800 0.023 0.000 2.700 379 G HA2 -0.303 3.658 3.960 0.001 0.000 0.350 379 G HA3 -0.303 3.658 3.960 0.001 0.000 0.350 379 G C -2.120 172.782 174.900 0.003 0.000 1.250 379 G CA 0.217 45.377 45.100 0.099 0.000 0.978 379 G HN 0.671 nan 8.290 nan 0.000 0.551 380 P HA 0.343 nan 4.420 nan 0.000 0.257 380 P C 0.390 177.638 177.300 -0.087 0.000 1.189 380 P CA 1.381 64.427 63.100 -0.090 0.000 0.780 380 P CB 0.527 32.167 31.700 -0.101 0.000 0.772 381 I N 2.252 122.775 120.570 -0.079 0.000 4.882 381 I HA -0.198 3.973 4.170 0.001 0.000 0.312 381 I C 0.973 177.068 176.117 -0.038 0.000 0.566 381 I CA 1.675 62.949 61.300 -0.042 0.000 1.552 381 I CB -0.942 37.052 38.000 -0.009 0.000 3.326 381 I HN 0.195 nan 8.210 nan 0.000 1.037 382 T N 0.465 114.992 114.554 -0.045 0.000 3.051 382 T HA 0.476 4.826 4.350 0.001 0.000 0.255 382 T C 1.473 176.153 174.700 -0.034 0.000 1.085 382 T CA 0.729 62.812 62.100 -0.029 0.000 1.109 382 T CB 0.027 68.877 68.868 -0.029 0.000 0.921 382 T HN 0.452 nan 8.240 nan 0.000 0.488 383 A N 1.300 124.054 122.820 -0.112 0.000 2.251 383 A HA 0.286 4.606 4.320 0.001 0.000 0.209 383 A C 2.198 179.615 177.584 -0.278 0.000 1.187 383 A CA 0.224 52.071 52.037 -0.317 0.000 0.823 383 A CB -0.460 18.171 19.000 -0.616 0.000 0.846 383 A HN 0.355 nan 8.150 nan 0.000 0.486 384 S N -0.022 115.588 115.700 -0.151 0.000 2.555 384 S HA -0.072 4.399 4.470 0.001 0.000 0.230 384 S C 1.676 176.233 174.600 -0.072 0.000 0.978 384 S CA 0.752 58.884 58.200 -0.112 0.000 0.934 384 S CB -0.111 63.045 63.200 -0.074 0.000 0.766 384 S HN 0.585 nan 8.310 nan 0.000 0.533 385 Q N 0.815 120.588 119.800 -0.046 0.000 2.364 385 Q HA 0.050 4.390 4.340 0.001 0.000 0.207 385 Q C 1.947 177.968 176.000 0.034 0.000 0.970 385 Q CA 0.510 56.316 55.803 0.006 0.000 0.888 385 Q CB -0.559 28.202 28.738 0.038 0.000 0.951 385 Q HN 0.375 nan 8.270 nan 0.000 0.469 386 V N -1.038 118.876 119.914 -0.001 0.000 2.295 386 V HA -0.092 4.029 4.120 0.001 0.000 0.246 386 V C 1.349 177.413 176.094 -0.050 0.000 1.049 386 V CA 1.732 64.055 62.300 0.037 0.000 1.024 386 V CB -0.578 31.205 31.823 -0.066 0.000 0.648 386 V HN 0.523 nan 8.190 nan 0.000 0.447 387 G N -0.621 108.118 108.800 -0.102 0.000 2.330 387 G HA2 -0.060 3.900 3.960 0.001 0.000 0.125 387 G HA3 -0.060 3.900 3.960 0.001 0.000 0.125 387 G C -0.510 174.308 174.900 -0.138 0.000 1.060 387 G CA -0.199 44.838 45.100 -0.106 0.000 0.743 387 G HN 0.437 nan 8.290 nan 0.000 0.480 388 V N 0.136 119.972 119.914 -0.130 0.000 2.735 388 V HA 0.599 4.719 4.120 0.001 0.000 0.310 388 V C 0.724 176.765 176.094 -0.089 0.000 1.061 388 V CA -1.346 60.885 62.300 -0.115 0.000 0.913 388 V CB 1.844 33.591 31.823 -0.126 0.000 1.005 388 V HN 0.419 nan 8.190 nan 0.000 0.428 389 R N 1.554 122.010 120.500 -0.074 0.000 2.537 389 R HA 0.469 4.809 4.340 0.001 0.000 0.280 389 R C -0.431 175.825 176.300 -0.072 0.000 1.058 389 R CA 0.034 56.095 56.100 -0.065 0.000 1.057 389 R CB 0.399 30.659 30.300 -0.066 0.000 0.973 389 R HN 0.730 nan 8.270 nan 0.000 0.438 390 T N 2.201 116.710 114.554 -0.075 0.000 2.812 390 T HA 0.222 4.573 4.350 0.001 0.000 0.282 390 T C -0.302 174.328 174.700 -0.118 0.000 0.990 390 T CA -0.704 61.334 62.100 -0.104 0.000 0.960 390 T CB 1.769 70.575 68.868 -0.103 0.000 0.948 390 T HN 0.189 nan 8.240 nan 0.000 0.438 391 V N 3.662 123.455 119.914 -0.201 0.000 2.372 391 V HA 0.205 4.326 4.120 0.001 0.000 0.261 391 V C 0.440 176.367 176.094 -0.278 0.000 1.055 391 V CA -0.550 61.589 62.300 -0.269 0.000 0.930 391 V CB 0.638 32.144 31.823 -0.529 0.000 1.031 391 V HN 0.839 nan 8.190 nan 0.000 0.479 392 D N 5.538 125.841 120.400 -0.162 0.000 2.468 392 D HA 0.374 5.015 4.640 0.001 0.000 0.218 392 D C -0.149 176.073 176.300 -0.130 0.000 1.155 392 D CA -0.129 53.783 54.000 -0.146 0.000 0.924 392 D CB 0.753 41.503 40.800 -0.082 0.000 1.029 392 D HN 0.551 nan 8.370 nan 0.000 0.515 393 I N -0.180 120.281 120.570 -0.182 0.000 3.540 393 I HA 0.937 5.107 4.170 0.001 0.000 0.288 393 I C 0.723 176.790 176.117 -0.084 0.000 1.169 393 I CA -0.682 60.556 61.300 -0.104 0.000 1.038 393 I CB 1.735 39.685 38.000 -0.084 0.000 1.338 393 I HN 0.205 nan 8.210 nan 0.000 0.507 394 G N 0.086 108.880 108.800 -0.010 0.000 2.474 394 G HA2 0.545 4.505 3.960 0.001 0.000 0.234 394 G HA3 0.545 4.505 3.960 0.001 0.000 0.234 394 G C -1.976 172.999 174.900 0.125 0.000 1.204 394 G CA -0.818 44.297 45.100 0.026 0.000 0.939 394 G HN 0.633 nan 8.290 nan 0.000 0.491 395 L N 0.959 122.259 121.223 0.129 0.000 2.431 395 L HA 0.430 4.770 4.340 0.001 0.000 0.266 395 L C -2.644 174.261 176.870 0.058 0.000 0.978 395 L CA -1.868 53.051 54.840 0.132 0.000 0.822 395 L CB 3.039 45.228 42.059 0.215 0.000 1.310 395 L HN 0.202 nan 8.230 nan 0.000 0.409 396 P HA 0.056 nan 4.420 nan 0.000 0.256 396 P C -0.992 176.353 177.300 0.075 0.000 1.189 396 P CA 0.551 63.675 63.100 0.040 0.000 0.808 396 P CB 0.301 32.033 31.700 0.053 0.000 0.793 397 T N 3.847 118.435 114.554 0.057 0.000 3.578 397 T HA 0.371 4.722 4.350 0.001 0.000 0.343 397 T C -0.974 173.814 174.700 0.147 0.000 1.126 397 T CA -0.207 61.960 62.100 0.111 0.000 1.092 397 T CB 0.435 69.359 68.868 0.093 0.000 1.160 397 T HN -0.037 nan 8.240 nan 0.000 0.469 398 F N 1.958 122.019 119.950 0.185 0.000 2.544 398 F HA 0.716 5.244 4.527 0.000 0.000 0.378 398 F C 0.869 176.790 175.800 0.201 0.000 1.112 398 F CA -0.407 57.747 58.000 0.256 0.000 1.115 398 F CB 0.854 40.020 39.000 0.278 0.000 1.436 398 F HN 0.821 nan 8.300 nan 0.000 0.496 399 A N 1.782 125.009 122.820 0.680 0.000 2.610 399 A HA -0.243 4.077 4.320 0.001 0.000 0.299 399 A C 0.144 177.897 177.584 0.281 0.000 1.487 399 A CA 0.763 53.020 52.037 0.366 0.000 0.743 399 A CB -2.362 16.797 19.000 0.264 0.000 1.070 399 A HN 0.643 nan 8.150 nan 0.000 0.439 400 M N -0.295 119.485 119.600 0.300 0.000 1.878 400 M HA 0.425 4.905 4.480 0.001 0.000 0.236 400 M C 1.487 177.957 176.300 0.283 0.000 1.315 400 M CA 1.149 56.608 55.300 0.266 0.000 0.986 400 M CB -0.023 32.746 32.600 0.282 0.000 1.324 400 M HN 0.591 nan 8.290 nan 0.000 0.474 401 H N -1.295 117.810 119.070 0.059 0.000 2.731 401 H HA -0.166 4.391 4.556 0.001 0.000 0.305 401 H C -0.376 174.967 175.328 0.026 0.000 1.132 401 H CA 0.460 56.525 56.048 0.028 0.000 1.148 401 H CB -1.200 28.565 29.762 0.005 0.000 1.379 401 H HN 0.533 nan 8.280 nan 0.000 0.398 402 S N -0.726 115.051 115.700 0.127 0.000 2.998 402 S HA 0.621 5.091 4.470 0.001 0.000 0.321 402 S C 0.249 174.886 174.600 0.062 0.000 1.171 402 S CA -0.537 57.718 58.200 0.093 0.000 0.882 402 S CB 1.343 64.611 63.200 0.113 0.000 1.301 402 S HN 0.261 nan 8.310 nan 0.000 0.629 403 I N 1.044 121.652 120.570 0.063 0.000 3.399 403 I HA 0.580 4.751 4.170 0.001 0.000 0.345 403 I C 0.148 176.289 176.117 0.041 0.000 1.512 403 I CA -0.175 61.147 61.300 0.038 0.000 1.047 403 I CB 0.020 38.042 38.000 0.036 0.000 1.552 403 I HN 0.433 nan 8.210 nan 0.000 0.494 404 R N 1.177 121.709 120.500 0.052 0.000 3.324 404 R HA 0.226 4.567 4.340 0.001 0.000 0.270 404 R C -1.553 174.795 176.300 0.080 0.000 0.893 404 R CA -0.852 55.280 56.100 0.054 0.000 0.794 404 R CB 0.455 30.788 30.300 0.056 0.000 1.510 404 R HN 0.194 nan 8.270 nan 0.000 0.493 405 E N 0.911 121.158 120.200 0.080 0.000 7.527 405 E HA -0.113 4.237 4.350 0.001 0.000 0.389 405 E C -1.931 174.741 176.600 0.119 0.000 0.568 405 E CA 0.877 57.336 56.400 0.098 0.000 1.067 405 E CB -0.234 29.535 29.700 0.113 0.000 0.942 405 E HN 0.886 nan 8.360 nan 0.000 0.262 406 L N 1.154 122.442 121.223 0.109 0.000 2.826 406 L HA 0.169 4.509 4.340 0.001 0.000 0.520 406 L C -0.769 176.180 176.870 0.131 0.000 1.002 406 L CA 2.570 57.483 54.840 0.121 0.000 1.275 406 L CB -0.830 41.316 42.059 0.144 0.000 1.319 406 L HN 1.698 nan 8.230 nan 0.000 0.648 407 A N 3.988 126.878 122.820 0.116 0.000 2.246 407 A HA 0.635 4.955 4.320 0.001 0.000 0.302 407 A C 0.230 177.878 177.584 0.107 0.000 0.999 407 A CA -0.267 51.840 52.037 0.116 0.000 0.998 407 A CB -0.454 18.613 19.000 0.112 0.000 1.183 407 A HN 1.993 nan 8.150 nan 0.000 0.351 408 G N 0.795 109.663 108.800 0.114 0.000 2.474 408 G HA2 0.420 4.380 3.960 0.001 0.000 0.233 408 G HA3 0.420 4.380 3.960 0.001 0.000 0.233 408 G C 0.777 175.741 174.900 0.107 0.000 1.278 408 G CA 0.652 45.825 45.100 0.122 0.000 0.861 408 G HN 1.636 nan 8.290 nan 0.000 0.567 409 S N 0.452 116.215 115.700 0.105 0.000 2.526 409 S HA 0.229 4.699 4.470 0.001 0.000 0.247 409 S C 0.750 175.351 174.600 0.001 0.000 1.076 409 S CA -0.305 57.923 58.200 0.047 0.000 1.105 409 S CB -0.338 62.882 63.200 0.033 0.000 0.793 409 S HN 0.755 nan 8.310 nan 0.000 0.458 410 H N -0.887 118.182 119.070 -0.001 0.000 3.678 410 H HA 0.205 4.761 4.556 0.001 0.000 0.246 410 H C 0.891 176.104 175.328 -0.191 0.000 1.016 410 H CA 0.205 56.210 56.048 -0.071 0.000 1.104 410 H CB 0.435 30.227 29.762 0.049 0.000 1.449 410 H HN 0.380 nan 8.280 nan 0.000 0.606 411 D N 1.926 122.418 120.400 0.153 0.000 2.178 411 D HA -0.147 4.493 4.640 0.001 0.000 0.201 411 D C 2.039 178.361 176.300 0.036 0.000 0.980 411 D CA 1.224 55.344 54.000 0.200 0.000 0.842 411 D CB 0.045 40.942 40.800 0.161 0.000 0.948 411 D HN 0.340 nan 8.370 nan 0.000 0.472 412 L N -0.422 120.773 121.223 -0.046 0.000 2.201 412 L HA 0.136 4.477 4.340 0.001 0.000 0.212 412 L C 2.144 178.937 176.870 -0.127 0.000 1.105 412 L CA 1.534 56.317 54.840 -0.094 0.000 0.775 412 L CB -1.817 40.184 42.059 -0.097 0.000 0.913 412 L HN -0.006 nan 8.230 nan 0.000 0.440 413 A N 0.137 122.826 122.820 -0.218 0.000 2.066 413 A HA -0.131 4.189 4.320 0.001 0.000 0.218 413 A C 1.870 179.325 177.584 -0.215 0.000 1.157 413 A CA 1.089 52.982 52.037 -0.240 0.000 0.670 413 A CB -0.820 18.007 19.000 -0.289 0.000 0.804 413 A HN 0.656 nan 8.150 nan 0.000 0.453 414 H N -2.128 116.962 119.070 0.033 0.000 2.520 414 H HA 0.213 4.769 4.556 0.001 0.000 0.279 414 H C 1.728 177.053 175.328 -0.005 0.000 0.990 414 H CA 0.634 56.688 56.048 0.010 0.000 1.288 414 H CB 0.190 29.956 29.762 0.007 0.000 1.446 414 H HN 0.372 nan 8.280 nan 0.000 0.538 415 L N 1.339 122.605 121.223 0.071 0.000 2.179 415 L HA -0.062 4.278 4.340 0.001 0.000 0.208 415 L C 2.168 179.038 176.870 -0.000 0.000 1.096 415 L CA 0.596 55.454 54.840 0.030 0.000 0.779 415 L CB -0.078 41.959 42.059 -0.037 0.000 0.922 415 L HN 0.278 nan 8.230 nan 0.000 0.443 416 V N -2.792 117.110 119.914 -0.020 0.000 2.358 416 V HA -0.134 3.986 4.120 0.001 0.000 0.246 416 V C 1.691 177.795 176.094 0.017 0.000 1.047 416 V CA 0.936 63.228 62.300 -0.013 0.000 1.035 416 V CB -0.920 30.886 31.823 -0.029 0.000 0.658 416 V HN 0.296 nan 8.190 nan 0.000 0.452 417 K N -0.588 119.824 120.400 0.021 0.000 2.140 417 K HA 0.391 4.711 4.320 0.001 0.000 0.237 417 K C 1.019 177.632 176.600 0.020 0.000 1.045 417 K CA 0.565 56.867 56.287 0.025 0.000 0.896 417 K CB 1.303 33.820 32.500 0.028 0.000 1.122 417 K HN 0.119 nan 8.250 nan 0.000 0.503 418 V N -0.771 119.138 119.914 -0.009 0.000 0.558 418 V HA -0.450 3.671 4.120 0.001 0.000 0.092 418 V C 1.679 177.806 176.094 0.055 0.000 2.022 418 V CA 2.291 64.555 62.300 -0.059 0.000 3.478 418 V CB -1.455 30.271 31.823 -0.162 0.000 0.770 418 V HN 0.780 nan 8.190 nan 0.000 0.801 419 L N 0.582 121.864 121.223 0.099 0.000 2.141 419 L HA 0.024 4.365 4.340 0.001 0.000 0.209 419 L C 2.460 179.320 176.870 -0.017 0.000 1.094 419 L CA 1.852 56.750 54.840 0.097 0.000 0.763 419 L CB -0.659 41.394 42.059 -0.011 0.000 0.908 419 L HN 0.651 nan 8.230 nan 0.000 0.437 420 G N -0.650 108.173 108.800 0.039 0.000 2.421 420 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 420 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 420 G C 1.704 176.686 174.900 0.136 0.000 1.143 420 G CA 0.682 45.859 45.100 0.127 0.000 0.784 420 G HN 0.443 nan 8.290 nan 0.000 0.541 421 A N 0.381 123.256 122.820 0.092 0.000 2.016 421 A HA 0.222 4.543 4.320 0.001 0.000 0.217 421 A C 2.020 179.674 177.584 0.116 0.000 1.162 421 A CA 1.137 53.216 52.037 0.070 0.000 0.662 421 A CB -0.415 18.591 19.000 0.009 0.000 0.812 421 A HN 0.440 nan 8.150 nan 0.000 0.450 422 F N -0.623 119.342 119.950 0.025 0.000 2.234 422 F HA -0.121 4.407 4.527 0.001 0.000 0.299 422 F C 1.467 177.346 175.800 0.132 0.000 1.087 422 F CA 1.004 59.053 58.000 0.082 0.000 1.340 422 F CB -0.334 38.730 39.000 0.107 0.000 1.031 422 F HN 0.270 nan 8.300 nan 0.000 0.500 423 Y N 1.225 121.434 120.300 -0.153 0.000 2.665 423 Y HA 0.353 4.904 4.550 0.001 0.000 0.320 423 Y C 0.825 176.620 175.900 -0.176 0.000 1.204 423 Y CA -0.283 57.671 58.100 -0.243 0.000 1.315 423 Y CB -1.335 37.100 38.460 -0.042 0.000 1.033 423 Y HN 0.182 nan 8.280 nan 0.000 0.509 424 A N -2.042 120.776 122.820 -0.004 0.000 2.594 424 A HA 0.734 5.054 4.320 0.001 0.000 0.291 424 A C 0.021 177.604 177.584 -0.002 0.000 1.105 424 A CA -0.299 51.737 52.037 -0.002 0.000 0.694 424 A CB 0.872 19.886 19.000 0.023 0.000 1.291 424 A HN 0.030 nan 8.150 nan 0.000 0.410 425 S N -1.081 114.623 115.700 0.007 0.000 3.294 425 S HA 0.103 4.574 4.470 0.001 0.000 0.853 425 S C -0.115 174.524 174.600 0.066 0.000 1.111 425 S CA 0.488 58.705 58.200 0.029 0.000 1.104 425 S CB -1.090 62.125 63.200 0.024 0.000 0.765 425 S HN 2.214 nan 8.310 nan 0.000 0.265 426 S N 0.000 115.749 115.700 0.081 0.000 2.498 426 S HA 0.000 4.470 4.470 0.001 0.000 0.327 426 S CA 0.000 58.274 58.200 0.123 0.000 1.107 426 S CB 0.000 63.237 63.200 0.062 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517