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_K 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 0.000 176.658 176.870 -0.353 0.000 1.165 9 L CA 0.000 54.266 54.840 -0.956 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 1.753 122.193 120.570 -0.217 0.000 2.436 10 I HA 0.532 4.702 4.170 0.001 0.000 0.289 10 I C -0.024 176.077 176.117 -0.027 0.000 1.083 10 I CA 0.121 61.374 61.300 -0.080 0.000 1.372 10 I CB 0.355 38.339 38.000 -0.026 0.000 1.408 10 I HN 0.564 nan 8.210 nan 0.000 0.516 11 D N 7.674 128.079 120.400 0.008 0.000 2.801 11 D HA 0.101 4.741 4.640 0.001 0.000 0.232 11 D C 0.012 176.399 176.300 0.144 0.000 1.128 11 D CA 0.654 54.678 54.000 0.041 0.000 1.003 11 D CB -0.142 40.677 40.800 0.031 0.000 1.110 11 D HN 0.620 nan 8.370 nan 0.000 0.477 12 F N -0.090 119.829 119.950 -0.051 0.000 2.495 12 F HA 0.138 4.666 4.527 0.001 0.000 0.326 12 F C 0.994 176.766 175.800 -0.047 0.000 0.815 12 F CA -0.178 57.798 58.000 -0.041 0.000 1.045 12 F CB 0.031 39.007 39.000 -0.040 0.000 0.946 12 F HN 0.068 nan 8.300 nan 0.000 0.683 13 L N 0.012 121.189 121.223 -0.077 0.000 2.509 13 L HA 0.264 4.605 4.340 0.001 0.000 0.222 13 L C 1.763 178.543 176.870 -0.150 0.000 1.123 13 L CA 0.977 55.713 54.840 -0.173 0.000 0.856 13 L CB -0.320 41.697 42.059 -0.070 0.000 0.985 13 L HN 0.100 nan 8.230 nan 0.000 0.456 14 K N 1.659 121.999 120.400 -0.100 0.000 2.305 14 K HA 0.157 4.477 4.320 0.001 0.000 0.199 14 K C 1.588 178.149 176.600 -0.066 0.000 1.047 14 K CA 1.154 57.399 56.287 -0.071 0.000 0.976 14 K CB -0.055 32.417 32.500 -0.046 0.000 0.765 14 K HN 0.391 nan 8.250 nan 0.000 0.474 15 A N -0.249 122.509 122.820 -0.103 0.000 2.359 15 A HA 0.196 4.516 4.320 0.001 0.000 0.240 15 A C 1.076 178.562 177.584 -0.163 0.000 1.306 15 A CA 0.185 52.160 52.037 -0.102 0.000 0.898 15 A CB -0.194 18.755 19.000 -0.084 0.000 0.956 15 A HN 0.250 nan 8.150 nan 0.000 0.497 16 S N 0.467 116.059 115.700 -0.179 0.000 2.591 16 S HA 0.075 4.545 4.470 0.001 0.000 0.235 16 S C -0.776 173.750 174.600 -0.122 0.000 1.074 16 S CA 0.605 58.690 58.200 -0.192 0.000 0.925 16 S CB -0.367 62.674 63.200 -0.265 0.000 0.818 16 S HN 0.543 nan 8.310 nan 0.000 0.535 17 P HA 0.084 nan 4.420 nan 0.000 0.231 17 P C 0.943 178.230 177.300 -0.022 0.000 1.168 17 P CA 1.058 64.078 63.100 -0.133 0.000 0.779 17 P CB -0.291 31.313 31.700 -0.160 0.000 0.844 18 T N 1.417 116.012 114.554 0.068 0.000 2.643 18 T HA -0.043 4.307 4.350 0.001 0.000 0.264 18 T C -0.641 174.112 174.700 0.089 0.000 1.045 18 T CA 2.272 64.450 62.100 0.130 0.000 1.155 18 T CB -1.808 67.102 68.868 0.070 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 0.223 19 P C 1.119 178.436 177.300 0.028 0.000 1.151 19 P CA 0.453 63.566 63.100 0.022 0.000 0.787 19 P CB -0.138 31.561 31.700 -0.001 0.000 0.788 20 F N 0.340 120.210 119.950 -0.134 0.000 2.113 20 F HA -0.182 4.345 4.527 0.001 0.000 0.297 20 F C 2.175 177.886 175.800 -0.148 0.000 1.103 20 F CA 1.764 59.653 58.000 -0.184 0.000 1.248 20 F CB -0.917 37.915 39.000 -0.280 0.000 0.999 20 F HN -0.020 nan 8.300 nan 0.000 0.475 21 H N -0.551 118.473 119.070 -0.076 0.000 2.422 21 H HA -0.077 4.480 4.556 0.001 0.000 0.298 21 H C 2.319 177.542 175.328 -0.174 0.000 1.098 21 H CA 1.086 57.039 56.048 -0.158 0.000 1.315 21 H CB -0.295 29.457 29.762 -0.016 0.000 1.382 21 H HN 0.380 nan 8.280 nan 0.000 0.523 22 A N 0.268 123.086 122.820 -0.003 0.000 1.930 22 A HA -0.177 4.143 4.320 0.001 0.000 0.217 22 A C 2.462 179.987 177.584 -0.098 0.000 1.175 22 A CA 1.872 53.888 52.037 -0.035 0.000 0.627 22 A CB -0.789 18.204 19.000 -0.011 0.000 0.815 22 A HN 0.575 nan 8.150 nan 0.000 0.443 23 T N -2.859 111.598 114.554 -0.161 0.000 2.978 23 T HA 0.337 4.688 4.350 0.001 0.000 0.262 23 T C 1.254 175.773 174.700 -0.302 0.000 1.063 23 T CA 0.833 62.814 62.100 -0.199 0.000 1.140 23 T CB -0.286 68.474 68.868 -0.180 0.000 0.886 23 T HN 0.587 nan 8.240 nan 0.000 0.470 24 A N 2.243 124.765 122.820 -0.497 0.000 3.197 24 A HA 0.530 4.851 4.320 0.001 0.000 0.263 24 A C 1.966 179.387 177.584 -0.272 0.000 1.524 24 A CA 0.104 51.808 52.037 -0.554 0.000 1.176 24 A CB -0.864 17.415 19.000 -1.201 0.000 1.096 24 A HN 0.575 nan 8.150 nan 0.000 0.655 25 S N -0.540 115.050 115.700 -0.184 0.000 2.423 25 S HA 0.060 4.530 4.470 0.001 0.000 0.231 25 S C 0.611 175.148 174.600 -0.105 0.000 1.014 25 S CA 0.869 58.999 58.200 -0.116 0.000 0.965 25 S CB -0.293 62.845 63.200 -0.104 0.000 0.785 25 S HN 0.506 nan 8.310 nan 0.000 0.495 26 L N -1.206 119.948 121.223 -0.116 0.000 2.161 26 L HA 0.821 5.161 4.340 0.001 0.000 0.248 26 L C 1.257 178.093 176.870 -0.057 0.000 1.088 26 L CA 0.025 54.810 54.840 -0.091 0.000 0.987 26 L CB 0.485 42.469 42.059 -0.124 0.000 1.563 26 L HN -0.049 nan 8.230 nan 0.000 0.472 27 A N -0.039 122.768 122.820 -0.021 0.000 1.898 27 A HA -0.096 4.224 4.320 0.001 0.000 0.216 27 A C 1.873 179.476 177.584 0.032 0.000 1.181 27 A CA 1.788 53.845 52.037 0.033 0.000 0.620 27 A CB -0.588 18.455 19.000 0.071 0.000 0.819 27 A HN 0.727 nan 8.150 nan 0.000 0.442 28 R N -1.830 118.680 120.500 0.018 0.000 2.210 28 R HA 0.137 4.477 4.340 0.001 0.000 0.203 28 R C 1.653 177.950 176.300 -0.005 0.000 1.010 28 R CA 0.367 56.486 56.100 0.031 0.000 1.008 28 R CB -0.165 30.162 30.300 0.045 0.000 0.923 28 R HN 0.175 nan 8.270 nan 0.000 0.469 29 R N 1.079 121.544 120.500 -0.058 0.000 2.153 29 R HA 0.045 4.386 4.340 0.001 0.000 0.218 29 R C 2.107 178.310 176.300 -0.162 0.000 1.072 29 R CA 0.573 56.609 56.100 -0.107 0.000 0.990 29 R CB -0.548 29.674 30.300 -0.130 0.000 0.889 29 R HN 0.314 nan 8.270 nan 0.000 0.452 30 L N 0.976 122.113 121.223 -0.143 0.000 2.072 30 L HA -0.137 4.203 4.340 0.001 0.000 0.205 30 L C 2.339 179.192 176.870 -0.028 0.000 1.079 30 L CA 1.416 56.156 54.840 -0.167 0.000 0.752 30 L CB -0.116 41.904 42.059 -0.065 0.000 0.906 30 L HN 0.038 nan 8.230 nan 0.000 0.436 31 E N 0.016 120.230 120.200 0.024 0.000 2.077 31 E HA -0.231 4.120 4.350 0.001 0.000 0.193 31 E C 2.023 178.668 176.600 0.076 0.000 0.989 31 E CA 1.561 58.020 56.400 0.099 0.000 0.800 31 E CB -0.142 29.640 29.700 0.135 0.000 0.746 31 E HN 0.553 nan 8.360 nan 0.000 0.452 32 A N 0.646 123.447 122.820 -0.032 0.000 1.877 32 A HA -0.044 4.276 4.320 0.001 0.000 0.216 32 A C 2.398 179.680 177.584 -0.504 0.000 1.186 32 A CA 1.945 53.814 52.037 -0.279 0.000 0.620 32 A CB -0.971 17.948 19.000 -0.134 0.000 0.822 32 A HN 0.377 nan 8.150 nan 0.000 0.443 33 A N -0.666 121.999 122.820 -0.258 0.000 2.119 33 A HA 0.248 4.569 4.320 0.001 0.000 0.217 33 A C 2.211 179.796 177.584 0.002 0.000 1.153 33 A CA 1.565 53.506 52.037 -0.159 0.000 0.692 33 A CB -1.036 17.843 19.000 -0.200 0.000 0.799 33 A HN 0.639 nan 8.150 nan 0.000 0.458 34 G N -0.148 108.655 108.800 0.005 0.000 2.434 34 G HA2 -0.199 3.762 3.960 0.001 0.000 0.214 34 G HA3 -0.199 3.762 3.960 0.001 0.000 0.214 34 G C 1.478 176.322 174.900 -0.094 0.000 1.202 34 G CA 1.192 46.319 45.100 0.045 0.000 0.788 34 G HN 0.837 nan 8.290 nan 0.000 0.539 35 Y N -0.021 120.183 120.300 -0.160 0.000 2.516 35 Y HA 0.325 4.875 4.550 0.001 0.000 0.291 35 Y C 2.647 178.449 175.900 -0.164 0.000 1.131 35 Y CA 0.412 58.303 58.100 -0.349 0.000 1.281 35 Y CB -0.126 38.035 38.460 -0.497 0.000 1.013 35 Y HN -0.007 nan 8.280 nan 0.000 0.554 36 R N 0.477 120.726 120.500 -0.418 0.000 2.115 36 R HA -0.081 4.260 4.340 0.001 0.000 0.230 36 R C 2.368 178.619 176.300 -0.080 0.000 1.111 36 R CA 1.396 57.362 56.100 -0.224 0.000 0.976 36 R CB -0.161 29.970 30.300 -0.282 0.000 0.870 36 R HN 0.378 nan 8.270 nan 0.000 0.445 37 R N 0.449 120.898 120.500 -0.085 0.000 2.146 37 R HA 0.037 4.377 4.340 0.001 0.000 0.206 37 R C 0.460 176.729 176.300 -0.051 0.000 1.049 37 R CA 0.176 56.242 56.100 -0.057 0.000 1.029 37 R CB 0.076 30.335 30.300 -0.068 0.000 0.949 37 R HN 0.032 nan 8.270 nan 0.000 0.471 38 L N 3.958 125.133 121.223 -0.080 0.000 2.376 38 L HA 0.093 4.434 4.340 0.001 0.000 0.250 38 L C -1.561 175.284 176.870 -0.042 0.000 1.335 38 L CA 0.447 55.236 54.840 -0.086 0.000 1.214 38 L CB -0.253 41.718 42.059 -0.146 0.000 1.395 38 L HN 0.172 nan 8.230 nan 0.000 0.424 39 D N 2.603 123.019 120.400 0.026 0.000 2.688 39 D HA 0.235 4.875 4.640 0.001 0.000 0.210 39 D C -0.744 175.591 176.300 0.058 0.000 1.333 39 D CA -0.504 53.556 54.000 0.099 0.000 0.920 39 D CB 0.987 41.894 40.800 0.179 0.000 1.554 39 D HN 0.090 nan 8.370 nan 0.000 0.579 50 G N 0.245 108.966 108.800 -0.131 0.000 2.562 50 G HA2 0.622 4.583 3.960 0.001 0.000 0.275 50 G HA3 0.622 4.583 3.960 0.001 0.000 0.275 50 G C 0.349 174.979 174.900 -0.450 0.000 1.196 50 G CA -0.744 44.087 45.100 -0.449 0.000 0.908 50 G HN 0.774 nan 8.290 nan 0.000 0.524 51 R N -1.219 118.845 120.500 -0.726 0.000 2.522 51 R HA 0.225 4.565 4.340 0.001 0.000 0.418 51 R C -1.184 174.991 176.300 -0.209 0.000 0.973 51 R CA -0.840 55.066 56.100 -0.324 0.000 1.096 51 R CB -1.198 28.994 30.300 -0.180 0.000 1.449 51 R HN 0.406 nan 8.270 nan 0.000 0.622 52 Y N 1.079 121.423 120.300 0.073 0.000 2.299 52 Y HA 0.483 5.034 4.550 0.001 0.000 0.335 52 Y C 0.487 176.466 175.900 0.132 0.000 1.287 52 Y CA -0.755 57.367 58.100 0.036 0.000 1.424 52 Y CB 0.417 38.861 38.460 -0.028 0.000 1.326 52 Y HN 0.255 nan 8.280 nan 0.000 0.567 53 Y N -2.702 117.710 120.300 0.186 0.000 2.544 53 Y HA 0.776 5.326 4.550 0.001 0.000 0.342 53 Y C -1.880 174.060 175.900 0.066 0.000 1.062 53 Y CA -1.858 56.309 58.100 0.111 0.000 1.023 53 Y CB 0.651 39.164 38.460 0.089 0.000 1.308 53 Y HN 0.328 nan 8.280 nan 0.000 0.457 54 V N 2.241 122.275 119.914 0.200 0.000 2.513 54 V HA 0.430 4.551 4.120 0.001 0.000 0.299 54 V C -0.036 176.151 176.094 0.155 0.000 1.035 54 V CA -0.160 62.194 62.300 0.090 0.000 0.889 54 V CB 1.543 33.394 31.823 0.047 0.000 0.988 54 V HN 1.095 nan 8.190 nan 0.000 0.440 55 T N 1.560 116.169 114.554 0.091 0.000 3.038 55 T HA 0.163 4.514 4.350 0.001 0.000 0.244 55 T C 1.444 176.169 174.700 0.042 0.000 1.016 55 T CA 0.496 62.652 62.100 0.092 0.000 1.098 55 T CB 0.143 69.045 68.868 0.057 0.000 0.954 55 T HN 0.679 nan 8.240 nan 0.000 0.469 56 R N 0.956 121.459 120.500 0.005 0.000 3.692 56 R HA -0.325 4.016 4.340 0.001 0.000 0.302 56 R C 1.165 177.454 176.300 -0.019 0.000 0.595 56 R CA 2.223 58.314 56.100 -0.015 0.000 1.154 56 R CB -1.543 28.746 30.300 -0.019 0.000 0.832 56 R HN 0.427 nan 8.270 nan 0.000 0.575 57 N N 1.137 119.830 118.700 -0.011 0.000 2.398 57 N HA -0.072 4.669 4.740 0.001 0.000 0.188 57 N C -0.693 174.813 175.510 -0.007 0.000 1.122 57 N CA 1.086 54.122 53.050 -0.024 0.000 0.866 57 N CB 0.158 38.632 38.487 -0.023 0.000 0.970 57 N HN 0.378 nan 8.380 nan 0.000 0.462 58 D N -0.607 119.806 120.400 0.021 0.000 2.981 58 D HA -0.129 4.512 4.640 0.001 0.000 0.223 58 D C -0.002 176.345 176.300 0.079 0.000 1.151 58 D CA 0.798 54.830 54.000 0.053 0.000 0.827 58 D CB -1.359 39.463 40.800 0.037 0.000 1.101 58 D HN 0.281 nan 8.370 nan 0.000 0.426 59 S N -1.766 113.983 115.700 0.082 0.000 2.546 59 S HA 0.089 4.560 4.470 0.001 0.000 0.282 59 S C 0.233 174.904 174.600 0.119 0.000 1.074 59 S CA -0.178 58.084 58.200 0.103 0.000 1.254 59 S CB 1.151 64.418 63.200 0.111 0.000 1.103 59 S HN 0.104 nan 8.310 nan 0.000 0.589 60 S N 2.239 118.003 115.700 0.106 0.000 2.520 60 S HA 0.612 5.082 4.470 0.001 0.000 0.324 60 S C -0.992 173.673 174.600 0.108 0.000 1.069 60 S CA -0.383 57.889 58.200 0.120 0.000 1.121 60 S CB 1.323 64.582 63.200 0.097 0.000 0.971 60 S HN 0.285 nan 8.310 nan 0.000 0.463 61 L N 4.713 126.006 121.223 0.116 0.000 2.317 61 L HA 0.655 4.996 4.340 0.001 0.000 0.281 61 L C -1.103 175.846 176.870 0.131 0.000 1.024 61 L CA -0.324 54.594 54.840 0.129 0.000 0.810 61 L CB 0.936 43.065 42.059 0.115 0.000 1.240 61 L HN 0.594 nan 8.230 nan 0.000 0.427 62 I N 4.957 125.623 120.570 0.160 0.000 2.439 62 I HA 0.478 4.648 4.170 0.001 0.000 0.283 62 I C -0.394 175.839 176.117 0.194 0.000 1.023 62 I CA -0.550 60.848 61.300 0.164 0.000 1.100 62 I CB 1.817 39.911 38.000 0.156 0.000 1.238 62 I HN 0.709 nan 8.210 nan 0.000 0.445 63 A N 8.034 130.956 122.820 0.170 0.000 2.294 63 A HA 0.747 5.067 4.320 0.001 0.000 0.316 63 A C -0.460 177.216 177.584 0.152 0.000 1.359 63 A CA -0.300 51.844 52.037 0.178 0.000 0.956 63 A CB -0.208 18.860 19.000 0.114 0.000 1.155 63 A HN 0.598 nan 8.150 nan 0.000 0.544 64 I N 2.121 122.799 120.570 0.181 0.000 2.385 64 I HA 0.549 4.720 4.170 0.001 0.000 0.294 64 I C 0.619 176.809 176.117 0.121 0.000 0.988 64 I CA -0.298 61.111 61.300 0.182 0.000 1.265 64 I CB 1.183 39.326 38.000 0.239 0.000 1.388 64 I HN 0.613 nan 8.210 nan 0.000 0.480 65 R N 6.586 127.137 120.500 0.085 0.000 2.538 65 R HA 0.613 4.954 4.340 0.001 0.000 0.292 65 R C -1.976 174.329 176.300 0.009 0.000 1.008 65 R CA -0.595 55.501 56.100 -0.008 0.000 0.896 65 R CB 1.417 31.669 30.300 -0.080 0.000 1.187 65 R HN 0.695 nan 8.270 nan 0.000 0.440 66 L N 2.566 123.781 121.223 -0.014 0.000 2.344 66 L HA 0.750 5.091 4.340 0.001 0.000 0.272 66 L C 0.801 177.648 176.870 -0.038 0.000 1.035 66 L CA -0.752 54.086 54.840 -0.004 0.000 0.807 66 L CB 2.016 44.098 42.059 0.039 0.000 1.237 66 L HN 0.825 nan 8.230 nan 0.000 0.442 71 P HA 0.246 nan 4.420 nan 0.000 0.277 71 P C 0.977 178.237 177.300 -0.067 0.000 1.617 71 P CA 0.096 63.144 63.100 -0.086 0.000 0.829 71 P CB -0.197 31.457 31.700 -0.078 0.000 1.774 72 L N -0.225 120.961 121.223 -0.062 0.000 3.461 72 L HA -0.336 4.005 4.340 0.001 0.000 0.094 72 L C 1.152 178.004 176.870 -0.030 0.000 4.424 72 L CA 2.680 57.506 54.840 -0.023 0.000 0.523 72 L CB -1.245 40.814 42.059 -0.000 0.000 3.542 72 L HN 0.306 nan 8.230 nan 0.000 0.792 73 E N -0.649 119.532 120.200 -0.032 0.000 2.394 73 E HA 0.201 4.551 4.350 0.001 0.000 0.191 73 E C 1.301 177.877 176.600 -0.041 0.000 1.044 73 E CA 0.761 57.145 56.400 -0.027 0.000 0.939 73 E CB 0.631 30.322 29.700 -0.015 0.000 1.089 73 E HN 0.521 nan 8.360 nan 0.000 0.456 74 S N -0.014 115.644 115.700 -0.071 0.000 2.506 74 S HA 0.350 4.820 4.470 0.001 0.000 0.219 74 S C 0.982 175.522 174.600 -0.099 0.000 1.031 74 S CA 0.681 58.831 58.200 -0.083 0.000 0.911 74 S CB -0.020 63.115 63.200 -0.109 0.000 0.812 74 S HN 0.622 nan 8.310 nan 0.000 0.497 75 G N 0.459 109.186 108.800 -0.121 0.000 2.741 75 G HA2 -0.190 3.771 3.960 0.001 0.000 0.222 75 G HA3 -0.190 3.771 3.960 0.001 0.000 0.222 75 G C -0.594 174.192 174.900 -0.189 0.000 1.364 75 G CA -0.305 44.742 45.100 -0.088 0.000 0.866 75 G HN 0.391 nan 8.290 nan 0.000 0.555 76 F N -0.147 119.802 119.950 -0.002 0.000 2.575 76 F HA 0.771 5.299 4.527 0.001 0.000 0.330 76 F C 1.097 176.919 175.800 0.036 0.000 1.056 76 F CA -0.919 57.094 58.000 0.022 0.000 0.964 76 F CB 1.970 40.992 39.000 0.037 0.000 1.258 76 F HN 0.250 nan 8.300 nan 0.000 0.484 77 R N 3.032 123.721 120.500 0.315 0.000 2.868 77 R HA 0.333 4.673 4.340 0.001 0.000 0.289 77 R C -1.459 175.113 176.300 0.453 0.000 1.443 77 R CA -0.519 55.709 56.100 0.213 0.000 1.651 77 R CB -0.046 30.165 30.300 -0.149 0.000 1.242 77 R HN 0.454 nan 8.270 nan 0.000 0.621 78 L N 0.404 121.874 121.223 0.411 0.000 2.439 78 L HA 0.430 4.770 4.340 0.001 0.000 0.269 78 L C 0.552 177.596 176.870 0.289 0.000 1.179 78 L CA -0.133 54.877 54.840 0.283 0.000 0.828 78 L CB 0.818 42.935 42.059 0.096 0.000 1.106 78 L HN -0.012 nan 8.230 nan 0.000 0.467 79 V N 0.991 121.028 119.914 0.205 0.000 3.023 79 V HA 0.934 5.054 4.120 0.001 0.000 0.294 79 V C -0.676 175.459 176.094 0.068 0.000 1.324 79 V CA 0.295 62.642 62.300 0.080 0.000 0.979 79 V CB 2.003 33.877 31.823 0.083 0.000 1.093 79 V HN 0.909 nan 8.190 nan 0.000 0.434 80 G N 3.197 111.997 108.800 0.000 0.000 2.547 80 G HA2 0.964 4.924 3.960 0.001 0.000 0.291 80 G HA3 0.964 4.924 3.960 0.001 0.000 0.291 80 G C -1.248 173.621 174.900 -0.051 0.000 1.471 80 G CA 0.013 45.106 45.100 -0.011 0.000 0.798 80 G HN 1.875 nan 8.290 nan 0.000 0.504 81 A N 0.131 122.879 122.820 -0.119 0.000 2.589 81 A HA 0.793 5.114 4.320 0.001 0.000 0.296 81 A C -0.524 176.939 177.584 -0.202 0.000 1.062 81 A CA -0.553 51.411 52.037 -0.122 0.000 0.686 81 A CB 0.730 19.671 19.000 -0.098 0.000 1.282 81 A HN 2.016 nan 8.150 nan 0.000 0.404 82 H N -0.430 118.603 119.070 -0.061 0.000 2.679 82 H HA 0.543 5.099 4.556 0.001 0.000 0.369 82 H C 1.154 176.510 175.328 0.046 0.000 1.178 82 H CA 0.350 56.418 56.048 0.033 0.000 1.419 82 H CB 0.495 30.391 29.762 0.223 0.000 1.458 82 H HN 0.590 nan 8.280 nan 0.000 0.605 83 T N -1.927 112.739 114.554 0.188 0.000 3.010 83 T HA -0.039 4.311 4.350 0.001 0.000 0.252 83 T C 0.574 175.374 174.700 0.167 0.000 1.047 83 T CA 0.192 62.369 62.100 0.128 0.000 1.140 83 T CB -0.333 68.609 68.868 0.122 0.000 0.885 83 T HN 0.820 nan 8.240 nan 0.000 0.464 84 D N 2.630 123.196 120.400 0.277 0.000 2.360 84 D HA 0.342 4.982 4.640 0.001 0.000 0.242 84 D C -0.298 176.153 176.300 0.253 0.000 1.184 84 D CA -0.299 53.850 54.000 0.248 0.000 0.930 84 D CB 1.156 42.130 40.800 0.289 0.000 1.161 84 D HN 0.502 nan 8.370 nan 0.000 0.447 85 S N -1.239 114.561 115.700 0.166 0.000 2.536 85 S HA 0.483 4.953 4.470 0.001 0.000 0.271 85 S C -3.116 171.504 174.600 0.033 0.000 1.134 85 S CA -1.469 56.768 58.200 0.062 0.000 0.897 85 S CB 1.471 64.690 63.200 0.031 0.000 1.094 85 S HN 0.205 nan 8.310 nan 0.000 0.473 86 P HA 0.172 nan 4.420 nan 0.000 0.255 86 P C 0.012 177.318 177.300 0.009 0.000 1.173 86 P CA 0.083 63.119 63.100 -0.107 0.000 0.780 86 P CB -0.596 30.979 31.700 -0.209 0.000 0.758 87 C N 2.332 121.689 119.300 0.094 0.000 3.311 87 C HA 0.636 5.097 4.460 0.001 0.000 0.366 87 C C -1.185 173.829 174.990 0.040 0.000 1.694 87 C CA -1.047 57.999 59.018 0.046 0.000 1.244 87 C CB 0.313 28.059 27.740 0.012 0.000 2.038 87 C HN 0.201 nan 8.230 nan 0.000 0.436 88 L N 2.027 123.231 121.223 -0.031 0.000 2.283 88 L HA 0.577 4.917 4.340 0.001 0.000 0.281 88 L C 0.299 177.104 176.870 -0.108 0.000 1.033 88 L CA 0.177 54.980 54.840 -0.062 0.000 0.848 88 L CB 0.385 42.388 42.059 -0.095 0.000 1.226 88 L HN 0.702 nan 8.230 nan 0.000 0.429 89 R N 2.572 123.008 120.500 -0.107 0.000 2.267 89 R HA 0.436 4.776 4.340 0.001 0.000 0.319 89 R C -0.870 175.358 176.300 -0.120 0.000 1.067 89 R CA -0.370 55.624 56.100 -0.176 0.000 0.936 89 R CB 0.602 30.733 30.300 -0.282 0.000 1.006 89 R HN 0.361 nan 8.270 nan 0.000 0.452 90 V N 5.741 125.597 119.914 -0.097 0.000 2.585 90 V HA 0.036 4.157 4.120 0.001 0.000 0.296 90 V C 0.750 176.824 176.094 -0.034 0.000 1.035 90 V CA -0.007 62.260 62.300 -0.054 0.000 1.084 90 V CB 0.499 32.309 31.823 -0.021 0.000 0.953 90 V HN 0.769 nan 8.190 nan 0.000 0.483 91 K N 5.544 125.930 120.400 -0.023 0.000 2.234 91 K HA 0.123 4.444 4.320 0.001 0.000 0.251 91 K C -1.448 175.154 176.600 0.004 0.000 1.011 91 K CA -0.975 55.306 56.287 -0.010 0.000 0.889 91 K CB 0.007 32.505 32.500 -0.003 0.000 1.011 91 K HN 0.371 nan 8.250 nan 0.000 0.505 92 P HA -0.222 nan 4.420 nan 0.000 0.206 92 P C -0.367 176.943 177.300 0.017 0.000 1.142 92 P CA 1.545 64.654 63.100 0.017 0.000 0.946 92 P CB 0.184 31.893 31.700 0.016 0.000 0.777 93 N N -1.322 117.389 118.700 0.017 0.000 2.790 93 N HA 0.183 4.923 4.740 0.001 0.000 0.256 93 N C -2.548 172.971 175.510 0.016 0.000 1.409 93 N CA -0.686 52.379 53.050 0.025 0.000 0.799 93 N CB 1.243 39.732 38.487 0.005 0.000 1.170 93 N HN 0.181 nan 8.380 nan 0.000 0.507 94 P HA 0.236 nan 4.420 nan 0.000 0.206 94 P C -0.513 176.814 177.300 0.044 0.000 1.854 94 P CA -0.192 62.925 63.100 0.028 0.000 0.969 94 P CB 0.198 31.913 31.700 0.026 0.000 1.843 95 E N 1.785 122.005 120.200 0.034 0.000 2.081 95 E HA 0.164 4.514 4.350 0.001 0.000 0.270 95 E C 0.145 176.766 176.600 0.035 0.000 1.180 95 E CA 0.049 56.477 56.400 0.047 0.000 0.926 95 E CB 0.587 30.296 29.700 0.015 0.000 1.035 95 E HN 0.474 nan 8.360 nan 0.000 0.418 96 I N 2.087 122.689 120.570 0.053 0.000 2.371 96 I HA 0.268 4.439 4.170 0.001 0.000 0.282 96 I C 0.077 176.230 176.117 0.060 0.000 1.031 96 I CA -0.705 60.624 61.300 0.048 0.000 1.180 96 I CB 1.401 39.432 38.000 0.052 0.000 1.336 96 I HN 0.272 nan 8.210 nan 0.000 0.467 97 A N 7.513 130.358 122.820 0.041 0.000 2.341 97 A HA 0.666 4.986 4.320 0.001 0.000 0.326 97 A C -0.075 177.518 177.584 0.016 0.000 1.402 97 A CA -0.465 51.592 52.037 0.034 0.000 0.957 97 A CB 0.159 19.169 19.000 0.016 0.000 1.151 97 A HN 0.727 nan 8.150 nan 0.000 0.533 98 R N 2.447 122.967 120.500 0.034 0.000 2.561 98 R HA 0.375 4.715 4.340 0.001 0.000 0.297 98 R C -0.453 175.800 176.300 -0.078 0.000 0.969 98 R CA -0.847 55.261 56.100 0.014 0.000 0.879 98 R CB 1.170 31.513 30.300 0.072 0.000 1.178 98 R HN 0.790 nan 8.270 nan 0.000 0.445 99 N N 1.240 119.833 118.700 -0.179 0.000 2.714 99 N HA -0.214 4.527 4.740 0.001 0.000 0.250 99 N C 0.621 175.591 175.510 -0.900 0.000 1.117 99 N CA 1.568 54.370 53.050 -0.413 0.000 0.719 99 N CB -0.993 37.336 38.487 -0.263 0.000 1.081 99 N HN 1.128 nan 8.380 nan 0.000 0.557 100 G N -1.810 106.658 108.800 -0.553 0.000 2.179 100 G HA2 -0.318 3.642 3.960 0.001 0.000 0.260 100 G HA3 -0.318 3.642 3.960 0.001 0.000 0.260 100 G C -0.050 174.619 174.900 -0.386 0.000 0.977 100 G CA 0.397 45.214 45.100 -0.472 0.000 0.641 100 G HN 0.454 nan 8.290 nan 0.000 0.533 101 F N -0.201 119.752 119.950 0.005 0.000 2.443 101 F HA 0.685 5.213 4.527 0.001 0.000 0.335 101 F C 0.589 176.395 175.800 0.009 0.000 1.104 101 F CA -1.246 56.756 58.000 0.003 0.000 1.013 101 F CB 1.677 40.680 39.000 0.005 0.000 1.136 101 F HN 0.014 nan 8.300 nan 0.000 0.470 102 L N 3.607 124.942 121.223 0.186 0.000 2.292 102 L HA 0.399 4.740 4.340 0.001 0.000 0.284 102 L C -0.702 176.240 176.870 0.120 0.000 1.065 102 L CA -0.113 54.797 54.840 0.118 0.000 0.806 102 L CB 0.987 43.094 42.059 0.080 0.000 1.175 102 L HN 0.698 nan 8.230 nan 0.000 0.431 103 Q N 4.907 124.776 119.800 0.115 0.000 2.423 103 Q HA 0.570 4.911 4.340 0.001 0.000 0.278 103 Q C -1.522 174.546 176.000 0.114 0.000 1.097 103 Q CA -0.831 55.040 55.803 0.114 0.000 0.809 103 Q CB 3.064 31.860 28.738 0.097 0.000 1.391 103 Q HN 0.554 nan 8.270 nan 0.000 0.428 104 L N 1.340 122.640 121.223 0.128 0.000 2.345 104 L HA 0.483 4.824 4.340 0.001 0.000 0.274 104 L C 0.460 177.357 176.870 0.046 0.000 0.999 104 L CA -0.852 54.049 54.840 0.102 0.000 0.849 104 L CB 1.520 43.668 42.059 0.149 0.000 1.220 104 L HN 0.721 nan 8.230 nan 0.000 0.422 105 G N 2.651 111.469 108.800 0.030 0.000 2.414 105 G HA2 0.363 4.323 3.960 0.001 0.000 0.236 105 G HA3 0.363 4.323 3.960 0.001 0.000 0.236 105 G C -0.113 174.779 174.900 -0.014 0.000 1.293 105 G CA -0.121 44.982 45.100 0.006 0.000 0.869 105 G HN 0.447 nan 8.290 nan 0.000 0.556 106 V N 0.116 120.012 119.914 -0.030 0.000 2.823 106 V HA 0.633 4.753 4.120 0.001 0.000 0.312 106 V C -0.254 175.820 176.094 -0.033 0.000 1.072 106 V CA -1.395 60.877 62.300 -0.047 0.000 0.937 106 V CB 2.018 33.795 31.823 -0.077 0.000 1.013 106 V HN 0.762 nan 8.190 nan 0.000 0.430 107 E N 1.655 121.837 120.200 -0.030 0.000 2.301 107 E HA 0.446 4.796 4.350 0.001 0.000 0.275 107 E C -0.681 175.927 176.600 0.013 0.000 1.030 107 E CA -0.776 55.621 56.400 -0.005 0.000 0.852 107 E CB 2.142 31.840 29.700 -0.004 0.000 1.060 107 E HN 0.640 nan 8.360 nan 0.000 0.401 108 V N 4.115 124.043 119.914 0.022 0.000 2.055 108 V HA -0.031 4.090 4.120 0.001 0.000 0.248 108 V C -0.417 175.705 176.094 0.047 0.000 1.476 108 V CA -0.159 62.155 62.300 0.024 0.000 1.417 108 V CB -1.530 30.299 31.823 0.009 0.000 1.465 108 V HN 0.516 nan 8.190 nan 0.000 0.502 109 Y N 3.811 124.071 120.300 -0.067 0.000 2.436 109 Y HA 0.515 5.066 4.550 0.001 0.000 0.336 109 Y C 1.074 176.935 175.900 -0.065 0.000 1.049 109 Y CA 1.235 59.289 58.100 -0.076 0.000 1.294 109 Y CB 0.405 38.798 38.460 -0.112 0.000 1.179 109 Y HN 0.779 nan 8.280 nan 0.000 0.520 110 G N 3.733 112.184 108.800 -0.582 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 0.329 175.134 174.900 -0.158 0.000 1.170 110 G CA -0.410 44.411 45.100 -0.464 0.000 0.944 110 G HN 1.270 nan 8.290 nan 0.000 0.567 111 G N -0.345 108.439 108.800 -0.026 0.000 2.634 111 G HA2 0.689 4.650 3.960 0.001 0.000 0.255 111 G HA3 0.689 4.650 3.960 0.001 0.000 0.255 111 G C 0.876 175.802 174.900 0.043 0.000 1.205 111 G CA 1.293 46.483 45.100 0.150 0.000 0.884 111 G HN 1.929 nan 8.290 nan 0.000 0.549 112 A N -0.492 122.335 122.820 0.012 0.000 3.802 112 A HA 0.785 5.106 4.320 0.001 0.000 0.184 112 A C 0.640 178.191 177.584 -0.055 0.000 1.893 112 A CA 0.364 52.383 52.037 -0.029 0.000 1.357 112 A CB -0.674 18.289 19.000 -0.061 0.000 1.178 112 A HN 1.374 nan 8.150 nan 0.000 0.371 113 L N -3.871 117.242 121.223 -0.184 0.000 0.586 113 L HA -0.230 4.111 4.340 0.001 0.000 0.356 113 L C 0.556 177.299 176.870 -0.211 0.000 0.958 113 L CA 0.136 54.760 54.840 -0.359 0.000 1.223 113 L CB -0.805 41.154 42.059 -0.166 0.000 0.019 113 L HN 0.710 nan 8.230 nan 0.000 0.091 114 F N 0.375 120.434 119.950 0.182 0.000 2.078 114 F HA 0.292 4.819 4.527 -0.001 0.000 0.282 114 F C 1.704 177.798 175.800 0.491 0.000 1.246 114 F CA 0.795 58.986 58.000 0.319 0.000 1.116 114 F CB -0.716 38.336 39.000 0.086 0.000 0.995 114 F HN 0.577 nan 8.300 nan 0.000 0.499 115 A N 2.062 125.225 122.820 0.572 0.000 2.526 115 A HA 0.156 4.476 4.320 0.001 0.000 0.267 115 A C -1.474 176.257 177.584 0.245 0.000 1.095 115 A CA -0.984 51.290 52.037 0.395 0.000 0.775 115 A CB -1.046 18.103 19.000 0.249 0.000 1.036 115 A HN 0.313 nan 8.150 nan 0.000 0.510 116 P HA -0.262 nan 4.420 nan 0.000 0.231 116 P C 0.166 177.574 177.300 0.180 0.000 0.982 116 P CA 1.850 65.015 63.100 0.109 0.000 1.072 116 P CB -0.497 31.201 31.700 -0.004 0.000 0.706 117 W N -1.209 120.210 121.300 0.199 0.000 2.560 117 W HA 0.112 4.773 4.660 0.001 0.000 0.335 117 W C 1.089 177.903 176.519 0.491 0.000 1.147 117 W CA 0.860 58.393 57.345 0.312 0.000 1.277 117 W CB -0.846 28.818 29.460 0.340 0.000 1.152 117 W HN 0.073 nan 8.180 nan 0.000 0.561 118 F N -0.933 119.166 119.950 0.249 0.000 2.183 118 F HA -0.356 4.171 4.527 0.001 0.000 0.318 118 F C 0.763 176.622 175.800 0.099 0.000 0.587 118 F CA 0.294 58.386 58.000 0.153 0.000 0.912 118 F CB -1.632 37.455 39.000 0.146 0.000 4.135 118 F HN 0.491 nan 8.300 nan 0.000 0.137 119 D N -0.824 119.768 120.400 0.321 0.000 10.890 119 D HA -0.146 4.494 4.640 0.001 0.000 0.359 119 D C 0.680 177.052 176.300 0.120 0.000 3.118 119 D CA 0.687 54.795 54.000 0.181 0.000 2.613 119 D CB -0.150 40.739 40.800 0.149 0.000 1.178 119 D HN 0.458 nan 8.370 nan 0.000 0.941 120 R N 0.832 121.388 120.500 0.094 0.000 2.070 120 R HA -0.068 4.273 4.340 0.001 0.000 0.232 120 R C -0.010 176.348 176.300 0.096 0.000 1.138 120 R CA 1.475 57.623 56.100 0.079 0.000 0.936 120 R CB -0.633 29.706 30.300 0.064 0.000 0.839 120 R HN 0.663 nan 8.270 nan 0.000 0.429 121 D N -0.364 120.091 120.400 0.091 0.000 10.484 121 D HA -0.173 4.468 4.640 0.001 0.000 0.318 121 D C -0.712 175.698 176.300 0.183 0.000 3.002 121 D CA 0.721 54.783 54.000 0.104 0.000 2.679 121 D CB -0.137 40.741 40.800 0.130 0.000 1.149 121 D HN 0.100 nan 8.370 nan 0.000 0.891 122 L N 0.662 121.947 121.223 0.104 0.000 2.549 122 L HA 0.401 4.742 4.340 0.001 0.000 0.259 122 L C -0.830 176.025 176.870 -0.025 0.000 0.934 122 L CA -0.331 54.609 54.840 0.166 0.000 0.865 122 L CB 2.214 44.334 42.059 0.102 0.000 1.352 122 L HN 0.382 nan 8.230 nan 0.000 0.410 123 S N 5.120 120.859 115.700 0.066 0.000 2.528 123 S HA 0.710 5.181 4.470 0.001 0.000 0.277 123 S C -0.110 174.470 174.600 -0.032 0.000 1.297 123 S CA -0.389 57.816 58.200 0.008 0.000 1.052 123 S CB 0.342 63.735 63.200 0.322 0.000 0.917 123 S HN 0.543 nan 8.310 nan 0.000 0.492 124 L N 1.173 122.114 121.223 -0.469 0.000 2.502 124 L HA 1.032 5.372 4.340 0.001 0.000 0.253 124 L C -0.453 175.726 176.870 -1.152 0.000 1.070 124 L CA -1.060 53.408 54.840 -0.621 0.000 0.871 124 L CB 1.120 42.995 42.059 -0.306 0.000 1.487 124 L HN 0.806 nan 8.230 nan 0.000 0.408 125 A N -0.263 122.151 122.820 -0.677 0.000 3.869 125 A HA 0.346 4.666 4.320 0.001 0.000 0.599 125 A C 0.043 177.518 177.584 -0.181 0.000 1.020 125 A CA -0.179 51.606 52.037 -0.420 0.000 0.343 125 A CB -2.227 16.540 19.000 -0.388 0.000 3.440 125 A HN 2.076 nan 8.150 nan 0.000 0.505 126 G N -0.799 108.017 108.800 0.026 0.000 2.539 126 G HA2 0.594 4.554 3.960 0.001 0.000 0.258 126 G HA3 0.594 4.554 3.960 0.001 0.000 0.258 126 G C 0.079 175.132 174.900 0.255 0.000 1.202 126 G CA 0.531 45.707 45.100 0.127 0.000 0.851 126 G HN 1.343 nan 8.290 nan 0.000 0.556 127 R N 0.938 121.538 120.500 0.167 0.000 2.549 127 R HA 0.332 4.673 4.340 0.001 0.000 0.291 127 R C -1.523 174.786 176.300 0.015 0.000 1.164 127 R CA -0.573 55.589 56.100 0.102 0.000 0.973 127 R CB 1.711 32.063 30.300 0.087 0.000 1.210 127 R HN 0.358 nan 8.270 nan 0.000 0.422 128 V N 4.961 124.857 119.914 -0.031 0.000 2.405 128 V HA 0.125 4.246 4.120 0.001 0.000 0.264 128 V C 0.885 176.898 176.094 -0.137 0.000 1.048 128 V CA -0.076 62.182 62.300 -0.070 0.000 0.966 128 V CB 0.748 32.522 31.823 -0.081 0.000 1.015 128 V HN 0.895 nan 8.190 nan 0.000 0.477 129 T N 2.058 116.553 114.554 -0.097 0.000 2.754 129 T HA 0.410 4.760 4.350 0.001 0.000 0.286 129 T C -0.048 174.575 174.700 -0.128 0.000 0.997 129 T CA -0.517 61.516 62.100 -0.111 0.000 0.982 129 T CB 0.349 69.219 68.868 0.002 0.000 1.027 129 T HN 0.194 nan 8.240 nan 0.000 0.529 130 F N 1.634 121.588 119.950 0.006 0.000 2.604 130 F HA 0.362 4.889 4.527 0.001 0.000 0.337 130 F C 1.745 177.548 175.800 0.004 0.000 1.294 130 F CA 0.085 58.089 58.000 0.006 0.000 1.066 130 F CB -0.617 38.386 39.000 0.006 0.000 1.391 130 F HN 0.662 nan 8.300 nan 0.000 0.652 131 R N 1.869 122.447 120.500 0.130 0.000 2.551 131 R HA 0.208 4.548 4.340 0.001 0.000 0.038 131 R C -0.022 176.301 176.300 0.038 0.000 0.500 131 R CA 0.499 56.649 56.100 0.083 0.000 0.753 131 R CB -0.704 29.640 30.300 0.073 0.000 0.841 131 R HN 0.500 nan 8.270 nan 0.000 0.586 132 A N 1.427 124.256 122.820 0.016 0.000 2.475 132 A HA -0.219 4.101 4.320 0.001 0.000 0.295 132 A C -0.764 176.813 177.584 -0.011 0.000 1.457 132 A CA 1.412 53.444 52.037 -0.009 0.000 0.734 132 A CB -1.633 17.365 19.000 -0.003 0.000 1.118 132 A HN 0.539 nan 8.150 nan 0.000 0.400 133 N N 0.343 119.033 118.700 -0.016 0.000 2.425 133 N HA 0.525 5.265 4.740 0.001 0.000 0.289 133 N C -0.198 175.302 175.510 -0.015 0.000 1.074 133 N CA 0.407 53.451 53.050 -0.009 0.000 0.905 133 N CB 1.844 40.335 38.487 0.007 0.000 1.586 133 N HN 0.885 nan 8.380 nan 0.000 0.490 134 G N 1.978 110.771 108.800 -0.013 0.000 2.348 134 G HA2 0.487 4.447 3.960 0.001 0.000 0.312 134 G HA3 0.487 4.447 3.960 0.001 0.000 0.312 134 G C -0.922 173.987 174.900 0.015 0.000 1.126 134 G CA -0.326 44.770 45.100 -0.006 0.000 0.865 134 G HN 0.621 nan 8.290 nan 0.000 0.474 135 K N 1.082 121.500 120.400 0.031 0.000 2.542 135 K HA 0.481 4.801 4.320 0.001 0.000 0.259 135 K C -1.124 175.517 176.600 0.068 0.000 0.932 135 K CA -0.801 55.513 56.287 0.045 0.000 0.820 135 K CB 1.767 34.291 32.500 0.041 0.000 1.345 135 K HN 0.447 nan 8.250 nan 0.000 0.432 136 L N 0.064 121.323 121.223 0.060 0.000 2.334 136 L HA 0.833 5.174 4.340 0.001 0.000 0.272 136 L C -0.604 176.297 176.870 0.052 0.000 1.020 136 L CA -0.496 54.378 54.840 0.056 0.000 0.812 136 L CB 1.565 43.633 42.059 0.015 0.000 1.264 136 L HN 0.616 nan 8.230 nan 0.000 0.439 137 E N 0.096 120.330 120.200 0.057 0.000 2.375 137 E HA 0.793 5.143 4.350 0.001 0.000 0.280 137 E C -1.272 175.347 176.600 0.031 0.000 0.972 137 E CA 0.038 56.473 56.400 0.058 0.000 0.782 137 E CB 2.109 31.870 29.700 0.102 0.000 1.229 137 E HN 0.998 nan 8.360 nan 0.000 0.439 138 S N 2.088 117.800 115.700 0.020 0.000 2.929 138 S HA 0.898 5.368 4.470 0.001 0.000 0.311 138 S C -0.978 173.639 174.600 0.028 0.000 1.213 138 S CA -0.557 57.645 58.200 0.005 0.000 0.908 138 S CB 1.062 64.229 63.200 -0.055 0.000 1.287 138 S HN 0.745 nan 8.310 nan 0.000 0.594 139 R N -0.080 120.433 120.500 0.020 0.000 1.005 139 R HA 0.103 4.444 4.340 0.001 0.000 0.429 139 R C -1.210 175.117 176.300 0.046 0.000 1.360 139 R CA 0.680 56.795 56.100 0.025 0.000 1.140 139 R CB -1.422 28.885 30.300 0.012 0.000 3.349 139 R HN 1.929 nan 8.270 nan 0.000 0.512 140 L N 1.883 123.132 121.223 0.042 0.000 0.602 140 L HA -0.105 4.236 4.340 0.001 0.000 0.358 140 L C -1.114 175.795 176.870 0.064 0.000 1.004 140 L CA 0.797 55.663 54.840 0.043 0.000 1.221 140 L CB -0.387 41.691 42.059 0.032 0.000 0.206 140 L HN 0.769 nan 8.230 nan 0.000 0.151 141 V N 4.701 124.644 119.914 0.048 0.000 2.470 141 V HA 0.351 4.471 4.120 0.001 0.000 0.276 141 V C 0.732 176.837 176.094 0.019 0.000 1.040 141 V CA 1.385 63.721 62.300 0.060 0.000 1.008 141 V CB 1.148 32.997 31.823 0.043 0.000 0.990 141 V HN 0.856 nan 8.190 nan 0.000 0.477 142 D N 4.646 125.062 120.400 0.026 0.000 2.449 142 D HA 0.271 4.912 4.640 0.001 0.000 0.255 142 D C -0.501 175.529 176.300 -0.449 0.000 1.121 142 D CA 0.167 54.020 54.000 -0.246 0.000 0.830 142 D CB 0.410 40.960 40.800 -0.416 0.000 1.280 142 D HN 0.524 nan 8.370 nan 0.000 0.522 143 F N 0.462 120.409 119.950 -0.005 0.000 2.575 143 F HA 0.703 5.231 4.527 0.001 0.000 0.330 143 F C 0.180 175.962 175.800 -0.031 0.000 1.056 143 F CA -0.906 57.084 58.000 -0.016 0.000 0.964 143 F CB 1.648 40.642 39.000 -0.010 0.000 1.258 143 F HN -0.463 nan 8.300 nan 0.000 0.484 144 R N 0.367 120.953 120.500 0.144 0.000 2.687 144 R HA 0.348 4.688 4.340 0.001 0.000 0.265 144 R C -1.896 174.395 176.300 -0.016 0.000 1.048 144 R CA -1.079 55.045 56.100 0.039 0.000 0.884 144 R CB 2.254 32.540 30.300 -0.023 0.000 1.258 144 R HN 0.620 nan 8.270 nan 0.000 0.469 145 K N 1.496 121.869 120.400 -0.044 0.000 2.464 145 K HA 0.471 4.791 4.320 0.001 0.000 0.252 145 K C -0.782 175.812 176.600 -0.009 0.000 1.000 145 K CA -0.356 55.870 56.287 -0.100 0.000 0.951 145 K CB 1.976 34.328 32.500 -0.246 0.000 1.183 145 K HN 0.575 nan 8.250 nan 0.000 0.445 146 A N 3.456 126.265 122.820 -0.018 0.000 2.304 146 A HA 0.558 4.879 4.320 0.001 0.000 0.271 146 A C -0.438 177.330 177.584 0.307 0.000 1.091 146 A CA -0.486 51.551 52.037 0.001 0.000 0.812 146 A CB 0.416 19.360 19.000 -0.093 0.000 1.056 146 A HN 0.801 nan 8.150 nan 0.000 0.489 147 I N -0.288 120.419 120.570 0.228 0.000 2.957 147 I HA 0.669 4.839 4.170 0.001 0.000 0.310 147 I C 0.394 176.566 176.117 0.093 0.000 1.063 147 I CA -0.853 60.594 61.300 0.244 0.000 1.033 147 I CB 2.015 40.111 38.000 0.160 0.000 1.230 147 I HN 0.758 nan 8.210 nan 0.000 0.447 148 A N 3.452 126.292 122.820 0.034 0.000 2.302 148 A HA 0.580 4.900 4.320 0.001 0.000 0.285 148 A C 0.190 177.768 177.584 -0.010 0.000 1.105 148 A CA 0.106 52.152 52.037 0.015 0.000 0.816 148 A CB 0.995 20.003 19.000 0.013 0.000 1.067 148 A HN 0.764 nan 8.150 nan 0.000 0.489 149 V N -0.988 118.926 119.914 -0.001 0.000 3.629 149 V HA 0.186 4.307 4.120 0.001 0.000 0.194 149 V C 1.480 177.568 176.094 -0.010 0.000 1.343 149 V CA 0.147 62.443 62.300 -0.006 0.000 1.292 149 V CB -0.913 30.918 31.823 0.013 0.000 1.287 149 V HN 0.615 nan 8.190 nan 0.000 0.554 150 I N 1.506 122.075 120.570 -0.001 0.000 2.546 150 I HA 0.055 4.225 4.170 0.001 0.000 0.255 150 I C -0.840 175.276 176.117 -0.003 0.000 1.163 150 I CA 0.730 62.029 61.300 -0.002 0.000 1.457 150 I CB -2.062 35.940 38.000 0.004 0.000 1.092 150 I HN 0.364 nan 8.210 nan 0.000 0.434 151 P HA -0.059 nan 4.420 nan 0.000 0.314 151 P C 0.068 177.362 177.300 -0.010 0.000 1.521 151 P CA 0.351 63.450 63.100 -0.002 0.000 0.754 151 P CB -0.734 30.968 31.700 0.003 0.000 1.692 152 N N -2.097 116.595 118.700 -0.014 0.000 1.870 152 N HA -0.232 4.509 4.740 0.001 0.000 0.135 152 N C -0.520 174.972 175.510 -0.030 0.000 0.856 152 N CA 0.214 53.253 53.050 -0.019 0.000 0.877 152 N CB -1.221 37.258 38.487 -0.014 0.000 0.915 152 N HN 0.024 nan 8.380 nan 0.000 0.658 153 L N 1.459 122.664 121.223 -0.030 0.000 2.513 153 L HA 0.142 4.483 4.340 0.001 0.000 0.272 153 L C 0.370 177.212 176.870 -0.047 0.000 1.187 153 L CA 0.333 55.149 54.840 -0.040 0.000 0.895 153 L CB -0.115 41.924 42.059 -0.033 0.000 1.147 153 L HN 0.374 nan 8.230 nan 0.000 0.483 167 I N 1.034 121.645 120.570 0.069 0.000 2.910 167 I HA 0.539 4.710 4.170 0.001 0.000 0.310 167 I C -0.370 175.823 176.117 0.127 0.000 1.043 167 I CA -0.883 60.467 61.300 0.082 0.000 1.053 167 I CB 1.332 39.366 38.000 0.057 0.000 1.242 167 I HN 0.317 nan 8.210 nan 0.000 0.452 168 N N 2.973 121.773 118.700 0.166 0.000 2.454 168 N HA -0.089 4.651 4.740 0.001 0.000 0.280 168 N C -1.035 174.570 175.510 0.157 0.000 1.515 168 N CA 0.677 53.868 53.050 0.236 0.000 0.892 168 N CB -0.676 38.001 38.487 0.316 0.000 0.892 168 N HN 0.911 nan 8.380 nan 0.000 0.475 169 A N 2.028 124.933 122.820 0.140 0.000 2.611 169 A HA 0.576 4.896 4.320 0.001 0.000 0.282 169 A C 0.881 178.514 177.584 0.081 0.000 1.114 169 A CA 0.581 52.674 52.037 0.093 0.000 0.800 169 A CB 1.088 20.131 19.000 0.073 0.000 1.325 169 A HN 0.722 nan 8.150 nan 0.000 0.411 170 Q N 2.067 121.906 119.800 0.064 0.000 1.984 170 Q HA -0.328 4.013 4.340 0.001 0.000 0.269 170 Q C 0.459 176.487 176.000 0.046 0.000 2.610 170 Q CA 2.471 58.300 55.803 0.044 0.000 0.582 170 Q CB -1.047 27.712 28.738 0.036 0.000 1.004 170 Q HN 1.033 nan 8.270 nan 0.000 0.603 171 N N 1.809 120.544 118.700 0.059 0.000 2.950 171 N HA -0.013 4.727 4.740 0.001 0.000 0.313 171 N C -0.080 175.489 175.510 0.099 0.000 1.213 171 N CA 1.375 54.463 53.050 0.064 0.000 1.184 171 N CB 0.779 39.304 38.487 0.063 0.000 1.454 171 N HN 0.534 nan 8.380 nan 0.000 0.532 172 E N -0.654 119.594 120.200 0.080 0.000 2.145 172 E HA 0.109 4.459 4.350 0.001 0.000 0.199 172 E C 1.093 177.569 176.600 -0.208 0.000 1.006 172 E CA -0.117 56.367 56.400 0.141 0.000 1.418 172 E CB -0.018 29.928 29.700 0.411 0.000 3.464 172 E HN 0.203 nan 8.360 nan 0.000 1.000 173 L N 1.440 122.539 121.223 -0.206 0.000 2.307 173 L HA 0.162 4.503 4.340 0.001 0.000 0.211 173 L C -1.810 174.908 176.870 -0.253 0.000 1.099 173 L CA -0.095 54.528 54.840 -0.362 0.000 0.816 173 L CB -0.642 41.289 42.059 -0.212 0.000 0.952 173 L HN -0.092 nan 8.230 nan 0.000 0.455 174 P HA 0.056 nan 4.420 nan 0.000 0.262 174 P C -2.368 174.893 177.300 -0.064 0.000 1.199 174 P CA -0.567 62.491 63.100 -0.070 0.000 0.763 174 P CB 0.143 31.833 31.700 -0.017 0.000 0.790 175 P HA 0.271 nan 4.420 nan 0.000 0.276 175 P C -0.327 177.029 177.300 0.093 0.000 1.252 175 P CA -0.423 62.691 63.100 0.023 0.000 0.802 175 P CB 0.722 32.474 31.700 0.087 0.000 1.035 176 I N 2.213 122.821 120.570 0.063 0.000 2.336 176 I HA 0.261 4.431 4.170 0.001 0.000 0.292 176 I C 0.645 176.762 176.117 0.000 0.000 0.991 176 I CA -0.509 60.809 61.300 0.030 0.000 1.227 176 I CB 0.711 38.667 38.000 -0.072 0.000 1.366 176 I HN 0.339 nan 8.210 nan 0.000 0.466 177 I N 7.264 127.811 120.570 -0.038 0.000 2.962 177 I HA 0.393 4.563 4.170 0.001 0.000 0.246 177 I C 0.778 176.782 176.117 -0.188 0.000 1.091 177 I CA 0.284 61.415 61.300 -0.282 0.000 1.469 177 I CB 0.507 38.301 38.000 -0.344 0.000 1.324 177 I HN 0.630 nan 8.210 nan 0.000 0.461 178 A N 0.532 123.310 122.820 -0.071 0.000 2.313 178 A HA 0.607 4.927 4.320 0.001 0.000 0.323 178 A C -0.682 176.934 177.584 0.054 0.000 1.133 178 A CA -0.351 51.670 52.037 -0.027 0.000 0.847 178 A CB 1.376 20.365 19.000 -0.019 0.000 1.308 178 A HN 0.385 nan 8.150 nan 0.000 0.475 179 Q N 0.771 120.610 119.800 0.066 0.000 3.761 179 Q HA 0.557 4.897 4.340 0.001 0.000 0.206 179 Q C -2.071 173.976 176.000 0.078 0.000 0.900 179 Q CA 0.111 55.999 55.803 0.142 0.000 0.737 179 Q CB 0.627 29.474 28.738 0.182 0.000 1.454 179 Q HN 0.765 nan 8.270 nan 0.000 0.448 180 L N 0.382 121.630 121.223 0.041 0.000 3.002 180 L HA 0.856 5.197 4.340 0.001 0.000 0.267 180 L C -1.851 175.015 176.870 -0.006 0.000 0.997 180 L CA -0.551 54.295 54.840 0.010 0.000 0.961 180 L CB 1.984 44.049 42.059 0.011 0.000 1.502 180 L HN 0.476 nan 8.230 nan 0.000 0.408 181 A N 0.715 123.525 122.820 -0.016 0.000 2.608 181 A HA 0.855 5.175 4.320 0.001 0.000 0.292 181 A C -2.571 175.005 177.584 -0.015 0.000 1.066 181 A CA -0.604 51.422 52.037 -0.017 0.000 0.676 181 A CB 1.216 20.196 19.000 -0.033 0.000 1.277 181 A HN 0.555 nan 8.150 nan 0.000 0.413 182 P HA 0.327 nan 4.420 nan 0.000 0.252 182 P C 0.723 178.024 177.300 0.001 0.000 1.211 182 P CA 1.180 64.276 63.100 -0.007 0.000 0.824 182 P CB 0.944 32.639 31.700 -0.008 0.000 1.077 183 G N -0.376 108.424 108.800 0.001 0.000 2.789 183 G HA2 -0.094 3.866 3.960 0.001 0.000 0.218 183 G HA3 -0.094 3.866 3.960 0.001 0.000 0.218 183 G C -0.137 174.764 174.900 0.002 0.000 0.980 183 G CA -0.300 44.802 45.100 0.004 0.000 0.848 183 G HN 0.419 nan 8.290 nan 0.000 0.591 204 A N 3.603 126.435 122.820 0.019 0.000 1.854 204 A HA 0.398 4.719 4.320 0.001 0.000 0.214 204 A C 0.868 178.462 177.584 0.016 0.000 1.192 204 A CA 1.489 53.536 52.037 0.015 0.000 0.611 204 A CB -0.832 18.176 19.000 0.014 0.000 0.832 204 A HN 1.374 nan 8.150 nan 0.000 0.442 205 D N -1.907 118.505 120.400 0.020 0.000 10.050 205 D HA -0.118 4.523 4.640 0.001 0.000 0.307 205 D C -0.478 175.830 176.300 0.012 0.000 2.837 205 D CA 0.676 54.688 54.000 0.021 0.000 2.563 205 D CB -0.504 40.312 40.800 0.026 0.000 1.087 205 D HN 0.413 nan 8.370 nan 0.000 0.825 206 V N 5.612 125.534 119.914 0.012 0.000 2.529 206 V HA 0.037 4.157 4.120 0.001 0.000 0.292 206 V C 2.192 178.276 176.094 -0.017 0.000 1.028 206 V CA -0.004 62.297 62.300 0.003 0.000 1.074 206 V CB 0.981 32.814 31.823 0.016 0.000 0.958 206 V HN 0.652 nan 8.190 nan 0.000 0.481 207 V N 4.572 124.471 119.914 -0.026 0.000 2.352 207 V HA -0.393 3.727 4.120 0.001 0.000 0.242 207 V C 1.634 177.696 176.094 -0.054 0.000 1.032 207 V CA 3.455 65.730 62.300 -0.041 0.000 1.108 207 V CB -1.074 30.714 31.823 -0.058 0.000 0.838 207 V HN 1.032 nan 8.190 nan 0.000 0.488 208 L N -6.236 114.932 121.223 -0.092 0.000 1.315 208 L HA 0.376 4.717 4.340 0.001 0.000 0.105 208 L C 0.402 177.155 176.870 -0.195 0.000 1.415 208 L CA 0.733 55.504 54.840 -0.114 0.000 1.170 208 L CB -0.425 41.577 42.059 -0.095 0.000 2.420 208 L HN 0.306 nan 8.230 nan 0.000 0.465 209 D N 0.552 120.757 120.400 -0.325 0.000 3.229 209 D HA -0.276 4.365 4.640 0.001 0.000 0.214 209 D C -0.830 175.080 176.300 -0.650 0.000 1.556 209 D CA 2.781 56.396 54.000 -0.642 0.000 1.086 209 D CB -0.871 39.714 40.800 -0.359 0.000 0.676 209 D HN 0.568 nan 8.370 nan 0.000 0.791 210 Y N -0.397 119.913 120.300 0.017 0.000 2.658 210 Y HA 0.542 5.092 4.550 0.001 0.000 0.362 210 Y C 0.370 176.262 175.900 -0.013 0.000 1.017 210 Y CA -0.380 57.720 58.100 -0.000 0.000 1.134 210 Y CB 1.071 39.544 38.460 0.022 0.000 1.144 210 Y HN 0.198 nan 8.280 nan 0.000 0.655 211 E N 0.964 121.165 120.200 0.003 0.000 2.876 211 E HA 0.310 4.661 4.350 0.001 0.000 0.208 211 E C -0.877 175.648 176.600 -0.124 0.000 0.981 211 E CA -0.096 56.248 56.400 -0.094 0.000 1.174 211 E CB 0.116 29.722 29.700 -0.156 0.000 1.047 211 E HN 0.502 nan 8.360 nan 0.000 0.477 212 L N 0.427 121.582 121.223 -0.114 0.000 2.483 212 L HA 0.433 4.773 4.340 0.001 0.000 0.275 212 L C 0.227 177.054 176.870 -0.071 0.000 1.220 212 L CA 0.489 55.217 54.840 -0.187 0.000 0.833 212 L CB 0.801 42.757 42.059 -0.173 0.000 1.102 212 L HN 0.016 nan 8.230 nan 0.000 0.490 213 S N 0.436 116.133 115.700 -0.005 0.000 2.754 213 S HA 0.225 4.696 4.470 0.001 0.000 0.277 213 S C -0.772 173.998 174.600 0.282 0.000 0.859 213 S CA -1.069 57.203 58.200 0.121 0.000 1.014 213 S CB -0.183 63.070 63.200 0.089 0.000 1.276 213 S HN 0.504 nan 8.310 nan 0.000 0.466 214 F N 0.835 120.808 119.950 0.039 0.000 2.969 214 F HA -0.197 4.331 4.527 0.001 0.000 0.273 214 F C -0.633 175.190 175.800 0.039 0.000 0.986 214 F CA 1.263 59.264 58.000 0.001 0.000 0.926 214 F CB -0.880 38.108 39.000 -0.020 0.000 0.887 214 F HN 0.556 nan 8.300 nan 0.000 0.816 215 Y N 0.379 120.619 120.300 -0.101 0.000 2.406 215 Y HA 0.494 5.045 4.550 0.001 0.000 0.340 215 Y C 0.154 175.944 175.900 -0.183 0.000 0.975 215 Y CA -0.919 57.120 58.100 -0.103 0.000 1.056 215 Y CB 1.252 39.676 38.460 -0.060 0.000 1.210 215 Y HN 0.112 nan 8.280 nan 0.000 0.448 216 D N 0.488 120.739 120.400 -0.248 0.000 2.650 216 D HA 0.640 5.280 4.640 0.001 0.000 0.255 216 D C -1.176 174.981 176.300 -0.238 0.000 1.135 216 D CA -0.597 53.264 54.000 -0.230 0.000 1.099 216 D CB 1.606 42.254 40.800 -0.252 0.000 1.273 216 D HN 0.314 nan 8.370 nan 0.000 0.628 217 T N 0.671 115.093 114.554 -0.220 0.000 2.949 217 T HA 0.434 4.785 4.350 0.001 0.000 0.300 217 T C -1.304 173.310 174.700 -0.145 0.000 0.988 217 T CA -0.878 61.077 62.100 -0.241 0.000 0.993 217 T CB 1.368 70.046 68.868 -0.317 0.000 0.984 217 T HN 0.313 nan 8.240 nan 0.000 0.442 218 Q N 1.982 121.716 119.800 -0.110 0.000 2.394 218 Q HA 0.568 4.909 4.340 0.001 0.000 0.273 218 Q C -0.859 175.129 176.000 -0.020 0.000 1.089 218 Q CA -0.704 55.063 55.803 -0.060 0.000 0.812 218 Q CB 2.248 30.948 28.738 -0.064 0.000 1.353 218 Q HN 0.514 nan 8.270 nan 0.000 0.438 219 S N 1.303 117.004 115.700 0.001 0.000 2.549 219 S HA 0.474 4.945 4.470 0.001 0.000 0.279 219 S C 0.701 175.313 174.600 0.020 0.000 1.321 219 S CA 0.435 58.651 58.200 0.027 0.000 1.054 219 S CB 0.419 63.644 63.200 0.042 0.000 0.899 219 S HN 0.736 nan 8.310 nan 0.000 0.497 220 A N 5.747 128.586 122.820 0.031 0.000 1.833 220 A HA 0.487 4.807 4.320 0.001 0.000 0.215 220 A C 1.433 179.030 177.584 0.023 0.000 1.275 220 A CA 0.712 52.764 52.037 0.025 0.000 0.602 220 A CB -1.644 17.375 19.000 0.033 0.000 0.929 220 A HN 2.020 nan 8.150 nan 0.000 0.462 221 A N -0.309 122.529 122.820 0.030 0.000 1.700 221 A HA 0.074 4.394 4.320 0.001 0.000 0.334 221 A C 0.558 178.156 177.584 0.023 0.000 0.978 221 A CA 0.673 52.728 52.037 0.029 0.000 1.490 221 A CB -1.840 17.183 19.000 0.037 0.000 0.700 221 A HN 1.552 nan 8.150 nan 0.000 0.210 222 V N 4.378 124.305 119.914 0.023 0.000 2.953 222 V HA 0.071 4.191 4.120 0.001 0.000 0.304 222 V C 1.222 177.333 176.094 0.028 0.000 1.138 222 V CA 0.588 62.903 62.300 0.025 0.000 1.266 222 V CB 0.698 32.537 31.823 0.026 0.000 0.923 222 V HN 0.909 nan 8.190 nan 0.000 0.505 223 V N 6.338 126.273 119.914 0.036 0.000 2.752 223 V HA 0.329 4.450 4.120 0.001 0.000 0.306 223 V C 0.910 177.029 176.094 0.042 0.000 1.099 223 V CA 1.173 63.495 62.300 0.038 0.000 1.240 223 V CB 0.018 31.892 31.823 0.085 0.000 0.887 223 V HN 1.189 nan 8.190 nan 0.000 0.499 224 G N 3.916 112.737 108.800 0.035 0.000 2.667 224 G HA2 0.616 4.577 3.960 0.001 0.000 0.298 224 G HA3 0.616 4.577 3.960 0.001 0.000 0.298 224 G C -1.165 173.755 174.900 0.034 0.000 1.377 224 G CA -1.086 44.034 45.100 0.033 0.000 0.964 224 G HN 0.636 nan 8.290 nan 0.000 0.493 225 L N 1.947 123.190 121.223 0.033 0.000 2.453 225 L HA 0.250 4.590 4.340 0.001 0.000 0.272 225 L C 0.241 177.130 176.870 0.031 0.000 1.182 225 L CA -0.501 54.360 54.840 0.035 0.000 0.858 225 L CB 0.438 42.518 42.059 0.035 0.000 1.120 225 L HN 0.444 nan 8.230 nan 0.000 0.474 226 N N 1.456 120.177 118.700 0.035 0.000 2.906 226 N HA 0.481 5.221 4.740 0.001 0.000 0.327 226 N C -0.965 174.558 175.510 0.022 0.000 1.344 226 N CA -0.755 52.310 53.050 0.026 0.000 0.823 226 N CB 0.779 39.284 38.487 0.030 0.000 1.351 226 N HN 0.523 nan 8.380 nan 0.000 0.604 227 D N -0.288 120.113 120.400 0.002 0.000 10.852 227 D HA -0.161 4.480 4.640 0.001 0.000 0.361 227 D C 0.534 176.776 176.300 -0.098 0.000 3.101 227 D CA 0.580 54.564 54.000 -0.028 0.000 2.575 227 D CB 0.101 40.916 40.800 0.025 0.000 1.168 227 D HN 0.713 nan 8.370 nan 0.000 0.953 228 E N -0.965 119.087 120.200 -0.246 0.000 2.077 228 E HA -0.119 4.232 4.350 0.001 0.000 0.193 228 E C 1.088 177.406 176.600 -0.469 0.000 0.989 228 E CA 1.360 57.484 56.400 -0.460 0.000 0.800 228 E CB 0.132 29.366 29.700 -0.777 0.000 0.746 228 E HN 0.402 nan 8.360 nan 0.000 0.452 229 F N -0.415 119.553 119.950 0.030 0.000 2.480 229 F HA 0.202 4.729 4.527 0.001 0.000 0.212 229 F C 1.011 176.831 175.800 0.034 0.000 1.113 229 F CA -0.716 57.304 58.000 0.032 0.000 0.970 229 F CB 0.060 39.084 39.000 0.039 0.000 1.177 229 F HN -0.086 nan 8.300 nan 0.000 0.663 230 I N -1.455 119.295 120.570 0.299 0.000 2.944 230 I HA 0.506 4.676 4.170 0.001 0.000 0.330 230 I C -0.195 176.025 176.117 0.171 0.000 1.482 230 I CA -0.481 60.918 61.300 0.166 0.000 0.880 230 I CB 0.468 38.535 38.000 0.110 0.000 1.728 230 I HN 0.197 nan 8.210 nan 0.000 0.561 231 A N 1.291 124.225 122.820 0.191 0.000 3.181 231 A HA 0.878 5.199 4.320 0.001 0.000 0.293 231 A C 0.764 178.424 177.584 0.127 0.000 1.346 231 A CA 0.165 52.311 52.037 0.182 0.000 1.018 231 A CB -0.829 18.302 19.000 0.218 0.000 1.093 231 A HN 1.027 nan 8.150 nan 0.000 0.629 232 G N -1.795 107.069 108.800 0.106 0.000 2.317 232 G HA2 0.603 4.563 3.960 0.001 0.000 0.445 232 G HA3 0.603 4.563 3.960 0.001 0.000 0.445 232 G C -0.601 174.339 174.900 0.067 0.000 1.486 232 G CA -0.097 45.054 45.100 0.085 0.000 0.991 232 G HN 1.700 nan 8.290 nan 0.000 0.660 233 A N 0.362 123.220 122.820 0.063 0.000 5.650 233 A HA 1.037 5.357 4.320 0.001 0.000 0.194 233 A C -0.193 177.420 177.584 0.048 0.000 0.895 233 A CA 0.660 52.728 52.037 0.052 0.000 0.804 233 A CB 0.267 19.297 19.000 0.050 0.000 2.103 233 A HN 2.293 nan 8.150 nan 0.000 1.022 234 R N -1.808 118.715 120.500 0.037 0.000 0.959 234 R HA -0.104 4.237 4.340 0.001 0.000 0.432 234 R C -0.402 175.883 176.300 -0.025 0.000 1.366 234 R CA 0.846 56.950 56.100 0.007 0.000 1.194 234 R CB -1.542 28.774 30.300 0.027 0.000 3.435 234 R HN 1.326 nan 8.270 nan 0.000 0.516 235 L N 0.279 121.437 121.223 -0.108 0.000 3.087 235 L HA 0.197 4.538 4.340 0.001 0.000 0.169 235 L C 1.695 178.492 176.870 -0.122 0.000 1.276 235 L CA 0.339 55.124 54.840 -0.092 0.000 0.865 235 L CB -0.158 41.850 42.059 -0.085 0.000 1.368 235 L HN 0.678 nan 8.230 nan 0.000 0.548 236 D N 0.524 120.774 120.400 -0.249 0.000 2.119 236 D HA -0.163 4.477 4.640 0.001 0.000 0.231 236 D C 0.302 176.516 176.300 -0.143 0.000 0.999 236 D CA 1.303 55.196 54.000 -0.178 0.000 0.915 236 D CB -0.179 40.518 40.800 -0.170 0.000 1.017 236 D HN 0.595 nan 8.370 nan 0.000 0.437 237 N N -0.047 118.531 118.700 -0.204 0.000 2.693 237 N HA -0.233 4.507 4.740 0.001 0.000 0.250 237 N C -0.631 174.940 175.510 0.101 0.000 1.033 237 N CA 0.291 53.393 53.050 0.086 0.000 0.747 237 N CB -2.117 36.432 38.487 0.102 0.000 0.964 237 N HN 0.238 nan 8.380 nan 0.000 0.540 238 L N 0.093 121.342 121.223 0.044 0.000 2.399 238 L HA 0.285 4.625 4.340 0.001 0.000 0.257 238 L C 0.695 177.508 176.870 -0.095 0.000 1.236 238 L CA -0.682 54.161 54.840 0.004 0.000 1.144 238 L CB -0.021 42.037 42.059 -0.001 0.000 1.379 238 L HN 0.318 nan 8.230 nan 0.000 0.414 239 L N 0.102 121.233 121.223 -0.154 0.000 4.988 239 L HA -0.297 4.044 4.340 0.001 0.000 0.439 239 L C 1.058 177.884 176.870 -0.075 0.000 1.080 239 L CA 1.164 55.820 54.840 -0.306 0.000 1.018 239 L CB -1.422 40.148 42.059 -0.815 0.000 1.945 239 L HN 0.655 nan 8.230 nan 0.000 0.782 240 S N -1.472 114.266 115.700 0.063 0.000 2.585 240 S HA 0.385 4.855 4.470 0.001 0.000 0.273 240 S C 1.552 176.361 174.600 0.347 0.000 1.339 240 S CA 0.139 58.473 58.200 0.224 0.000 1.028 240 S CB 1.060 64.418 63.200 0.264 0.000 0.906 240 S HN 1.414 nan 8.310 nan 0.000 0.528 241 C N 3.229 122.719 119.300 0.316 0.000 5.883 241 C HA -0.254 4.207 4.460 0.001 0.000 0.327 241 C C 1.432 176.377 174.990 -0.074 0.000 2.424 241 C CA 1.897 60.950 59.018 0.059 0.000 2.187 241 C CB -2.929 24.892 27.740 0.135 0.000 3.226 241 C HN 1.078 nan 8.230 nan 0.000 0.268 242 H N 1.895 120.954 119.070 -0.019 0.000 2.457 242 H HA 0.376 4.932 4.556 0.001 0.000 0.294 242 H C 2.110 177.390 175.328 -0.081 0.000 1.064 242 H CA 2.103 58.113 56.048 -0.065 0.000 1.330 242 H CB -0.134 29.577 29.762 -0.085 0.000 1.395 242 H HN 0.953 nan 8.280 nan 0.000 0.541 243 A N -0.129 122.726 122.820 0.057 0.000 2.929 243 A HA 0.472 4.793 4.320 0.001 0.000 0.279 243 A C 1.527 179.067 177.584 -0.073 0.000 1.418 243 A CA 0.600 52.647 52.037 0.015 0.000 1.035 243 A CB -0.539 18.494 19.000 0.056 0.000 1.047 243 A HN 0.524 nan 8.150 nan 0.000 0.609 244 G N -1.270 107.381 108.800 -0.248 0.000 3.083 244 G HA2 0.104 4.065 3.960 0.001 0.000 0.210 244 G HA3 0.104 4.065 3.960 0.001 0.000 0.210 244 G C 1.036 175.670 174.900 -0.442 0.000 1.571 244 G CA 0.221 44.937 45.100 -0.640 0.000 0.727 244 G HN 0.241 nan 8.290 nan 0.000 0.988 245 L N 0.970 122.007 121.223 -0.309 0.000 2.141 245 L HA 0.136 4.477 4.340 0.001 0.000 0.209 245 L C 2.521 179.317 176.870 -0.123 0.000 1.094 245 L CA 1.446 56.155 54.840 -0.218 0.000 0.763 245 L CB -0.070 41.858 42.059 -0.217 0.000 0.908 245 L HN 0.329 nan 8.230 nan 0.000 0.437 246 E N 0.346 120.491 120.200 -0.091 0.000 2.150 246 E HA -0.199 4.151 4.350 0.001 0.000 0.193 246 E C 2.200 178.826 176.600 0.044 0.000 0.985 246 E CA 0.974 57.380 56.400 0.010 0.000 0.814 246 E CB 0.089 29.803 29.700 0.025 0.000 0.752 246 E HN 0.470 nan 8.360 nan 0.000 0.466 247 A N 0.633 123.419 122.820 -0.058 0.000 1.968 247 A HA -0.028 4.292 4.320 0.001 0.000 0.217 247 A C 1.903 179.440 177.584 -0.078 0.000 1.169 247 A CA 0.516 52.509 52.037 -0.073 0.000 0.638 247 A CB -0.261 18.647 19.000 -0.153 0.000 0.812 247 A HN 0.261 nan 8.150 nan 0.000 0.446 248 L N -0.462 120.691 121.223 -0.117 0.000 2.693 248 L HA 0.056 4.396 4.340 0.001 0.000 0.242 248 L C 1.315 178.178 176.870 -0.011 0.000 1.157 248 L CA -0.129 54.655 54.840 -0.093 0.000 0.929 248 L CB 0.109 42.078 42.059 -0.150 0.000 1.103 248 L HN 0.261 nan 8.230 nan 0.000 0.430 249 L N -1.425 119.835 121.223 0.063 0.000 2.730 249 L HA 0.153 4.493 4.340 0.001 0.000 0.236 249 L C 1.863 178.884 176.870 0.252 0.000 1.061 249 L CA 0.758 55.712 54.840 0.190 0.000 0.898 249 L CB -0.456 41.755 42.059 0.253 0.000 1.270 249 L HN 0.085 nan 8.230 nan 0.000 0.500 250 N N 0.354 119.145 118.700 0.151 0.000 2.459 250 N HA -0.007 4.734 4.740 0.001 0.000 0.181 250 N C 1.307 176.768 175.510 -0.082 0.000 1.046 250 N CA 1.071 54.072 53.050 -0.081 0.000 0.904 250 N CB 0.355 38.801 38.487 -0.068 0.000 0.964 250 N HN 0.302 nan 8.380 nan 0.000 0.444 251 A N -0.984 121.822 122.820 -0.024 0.000 2.431 251 A HA 0.260 4.580 4.320 0.001 0.000 0.239 251 A C 1.407 178.988 177.584 -0.005 0.000 1.230 251 A CA -0.064 51.957 52.037 -0.026 0.000 0.928 251 A CB 0.377 19.362 19.000 -0.026 0.000 1.006 251 A HN 0.082 nan 8.150 nan 0.000 0.520 252 E N -0.113 120.100 120.200 0.022 0.000 2.421 252 E HA 0.114 4.465 4.350 0.001 0.000 0.209 252 E C 1.109 177.743 176.600 0.056 0.000 0.871 252 E CA 0.460 56.882 56.400 0.037 0.000 1.064 252 E CB 0.193 29.919 29.700 0.044 0.000 1.075 252 E HN 0.433 nan 8.360 nan 0.000 0.513 253 G N 1.924 110.779 108.800 0.092 0.000 2.544 253 G HA2 0.042 4.003 3.960 0.001 0.000 0.242 253 G HA3 0.042 4.003 3.960 0.001 0.000 0.242 253 G C -0.130 174.795 174.900 0.042 0.000 1.247 253 G CA -0.327 44.845 45.100 0.120 0.000 0.840 253 G HN -0.133 nan 8.290 nan 0.000 0.578 254 D N 1.010 121.436 120.400 0.044 0.000 2.417 254 D HA 0.119 4.759 4.640 0.001 0.000 0.250 254 D C 0.282 176.577 176.300 -0.009 0.000 1.166 254 D CA 0.488 54.496 54.000 0.014 0.000 0.881 254 D CB 1.161 41.971 40.800 0.016 0.000 1.164 254 D HN 0.276 nan 8.370 nan 0.000 0.467 255 E N 2.015 122.201 120.200 -0.023 0.000 2.265 255 E HA 0.079 4.429 4.350 0.001 0.000 0.272 255 E C 0.960 177.540 176.600 -0.034 0.000 1.067 255 E CA 0.017 56.393 56.400 -0.040 0.000 0.900 255 E CB 0.381 30.056 29.700 -0.041 0.000 1.017 255 E HN 0.423 nan 8.360 nan 0.000 0.431 256 N N 1.511 120.186 118.700 -0.041 0.000 2.228 256 N HA -0.029 4.712 4.740 0.001 0.000 0.299 256 N C -0.135 175.347 175.510 -0.047 0.000 0.829 256 N CA 0.382 53.411 53.050 -0.036 0.000 0.772 256 N CB -0.187 38.286 38.487 -0.024 0.000 2.041 256 N HN 0.453 nan 8.380 nan 0.000 1.019 257 C N 1.134 120.399 119.300 -0.058 0.000 2.822 257 C HA 0.850 5.311 4.460 0.001 0.000 0.341 257 C C 0.553 175.491 174.990 -0.087 0.000 1.301 257 C CA -1.523 57.450 59.018 -0.074 0.000 1.706 257 C CB 0.950 28.646 27.740 -0.072 0.000 2.178 257 C HN 0.369 nan 8.230 nan 0.000 0.481 258 I N 1.097 121.603 120.570 -0.107 0.000 2.471 258 I HA 0.546 4.716 4.170 0.001 0.000 0.286 258 I C -0.708 175.421 176.117 0.020 0.000 1.079 258 I CA -0.023 61.230 61.300 -0.077 0.000 1.398 258 I CB -0.703 37.158 38.000 -0.232 0.000 1.403 258 I HN 0.673 nan 8.210 nan 0.000 0.530 259 L N 6.596 127.844 121.223 0.040 0.000 2.408 259 L HA 0.691 5.032 4.340 0.001 0.000 0.268 259 L C -0.613 176.329 176.870 0.121 0.000 0.986 259 L CA -0.934 53.921 54.840 0.026 0.000 0.820 259 L CB 2.233 44.060 42.059 -0.386 0.000 1.303 259 L HN 0.338 nan 8.230 nan 0.000 0.411 260 V N 1.506 121.560 119.914 0.233 0.000 2.531 260 V HA 0.293 4.413 4.120 0.001 0.000 0.301 260 V C -0.664 175.566 176.094 0.227 0.000 1.034 260 V CA -0.570 61.851 62.300 0.200 0.000 0.865 260 V CB 2.053 33.961 31.823 0.141 0.000 0.995 260 V HN 0.932 nan 8.190 nan 0.000 0.424 261 C N 4.759 124.165 119.300 0.176 0.000 2.258 261 C HA 0.644 5.105 4.460 0.001 0.000 0.321 261 C C 0.602 175.669 174.990 0.129 0.000 1.168 261 C CA -0.200 58.919 59.018 0.168 0.000 1.531 261 C CB -0.222 27.604 27.740 0.144 0.000 2.095 261 C HN 0.969 nan 8.230 nan 0.000 0.449 262 T N 5.414 120.042 114.554 0.123 0.000 2.853 262 T HA 0.396 4.747 4.350 0.001 0.000 0.317 262 T C -0.502 174.187 174.700 -0.018 0.000 1.059 262 T CA -0.194 61.987 62.100 0.136 0.000 0.954 262 T CB -0.233 68.805 68.868 0.284 0.000 0.994 262 T HN 0.805 nan 8.240 nan 0.000 0.479 263 D N 4.087 124.459 120.400 -0.047 0.000 2.198 263 D HA 0.533 5.174 4.640 0.001 0.000 0.247 263 D C 0.041 176.269 176.300 -0.120 0.000 1.010 263 D CA -0.047 53.840 54.000 -0.189 0.000 0.880 263 D CB 1.658 42.434 40.800 -0.040 0.000 1.209 263 D HN 0.860 nan 8.370 nan 0.000 0.451 264 H N -1.692 117.472 119.070 0.156 0.000 3.110 264 H HA 0.613 5.169 4.556 0.001 0.000 0.277 264 H C -1.051 174.371 175.328 0.158 0.000 1.571 264 H CA -0.985 55.143 56.048 0.133 0.000 1.206 264 H CB 1.397 31.227 29.762 0.112 0.000 1.852 264 H HN 0.265 nan 8.280 nan 0.000 0.629 265 E N -0.865 119.541 120.200 0.343 0.000 2.369 265 E HA 0.408 4.758 4.350 0.001 0.000 0.270 265 E C -0.789 175.912 176.600 0.168 0.000 0.909 265 E CA -0.579 55.974 56.400 0.254 0.000 0.775 265 E CB 1.454 31.279 29.700 0.208 0.000 1.270 265 E HN 0.788 nan 8.360 nan 0.000 0.445 266 E N -0.016 120.268 120.200 0.140 0.000 4.289 266 E HA -0.187 4.163 4.350 0.001 0.000 0.375 266 E C 0.771 177.319 176.600 -0.086 0.000 0.624 266 E CA 0.834 57.276 56.400 0.071 0.000 1.443 266 E CB -1.323 28.438 29.700 0.103 0.000 1.807 266 E HN 0.328 nan 8.360 nan 0.000 0.378 267 V N -0.154 119.647 119.914 -0.189 0.000 2.332 267 V HA -0.209 3.911 4.120 0.001 0.000 0.248 267 V C 2.139 178.015 176.094 -0.363 0.000 1.055 267 V CA 2.322 64.429 62.300 -0.321 0.000 1.038 267 V CB -0.452 31.097 31.823 -0.456 0.000 0.651 267 V HN 0.492 nan 8.190 nan 0.000 0.450 268 G N -1.755 106.771 108.800 -0.458 0.000 3.094 268 G HA2 0.049 4.009 3.960 0.001 0.000 0.208 268 G HA3 0.049 4.009 3.960 0.001 0.000 0.208 268 G C 1.253 175.956 174.900 -0.328 0.000 1.189 268 G CA 1.049 45.937 45.100 -0.354 0.000 0.856 268 G HN 0.486 nan 8.290 nan 0.000 0.510 269 S N -2.519 113.029 115.700 -0.253 0.000 3.984 269 S HA 0.071 4.542 4.470 0.001 0.000 0.221 269 S C 1.185 175.712 174.600 -0.123 0.000 1.149 269 S CA 1.048 59.129 58.200 -0.199 0.000 0.950 269 S CB 0.216 63.316 63.200 -0.168 0.000 1.216 269 S HN 0.338 nan 8.310 nan 0.000 0.547 270 C N -0.523 118.709 119.300 -0.114 0.000 4.914 270 C HA 0.516 4.977 4.460 0.001 0.000 0.505 270 C C 1.273 176.145 174.990 -0.195 0.000 1.350 270 C CA 1.019 59.940 59.018 -0.161 0.000 2.421 270 C CB -0.235 27.401 27.740 -0.173 0.000 3.334 270 C HN 0.722 nan 8.230 nan 0.000 0.512 271 S N -0.584 115.044 115.700 -0.120 0.000 1.352 271 S HA -0.251 4.219 4.470 0.001 0.000 0.248 271 S C 0.643 175.229 174.600 -0.023 0.000 0.649 271 S CA 1.677 59.815 58.200 -0.104 0.000 1.126 271 S CB -1.498 61.623 63.200 -0.132 0.000 1.240 271 S HN 0.871 nan 8.310 nan 0.000 0.498 272 H N -0.153 118.898 119.070 -0.033 0.000 1.452 272 H HA -0.355 4.201 4.556 0.001 0.000 0.090 272 H C 1.105 176.406 175.328 -0.045 0.000 0.976 272 H CA 1.764 57.797 56.048 -0.024 0.000 1.901 272 H CB -0.765 28.994 29.762 -0.004 0.000 2.257 272 H HN 0.763 nan 8.280 nan 0.000 0.961 273 C N 1.522 120.904 119.300 0.136 0.000 2.520 273 C HA 0.370 4.831 4.460 0.001 0.000 0.369 273 C C 1.531 176.512 174.990 -0.016 0.000 1.244 273 C CA 1.134 60.162 59.018 0.017 0.000 1.677 273 C CB -1.420 26.317 27.740 -0.005 0.000 2.324 273 C HN 0.813 nan 8.230 nan 0.000 0.557 274 G N 4.078 112.817 108.800 -0.101 0.000 2.697 274 G HA2 -0.108 3.852 3.960 0.001 0.000 0.200 274 G HA3 -0.108 3.852 3.960 0.001 0.000 0.200 274 G C 0.867 175.608 174.900 -0.266 0.000 1.106 274 G CA 0.138 45.161 45.100 -0.128 0.000 0.748 274 G HN 1.345 nan 8.290 nan 0.000 0.503 275 A N -0.324 122.334 122.820 -0.269 0.000 2.288 275 A HA 0.575 4.895 4.320 0.001 0.000 0.216 275 A C 0.590 178.088 177.584 -0.143 0.000 1.199 275 A CA 1.670 53.380 52.037 -0.545 0.000 0.891 275 A CB 0.263 18.915 19.000 -0.581 0.000 0.923 275 A HN 0.630 nan 8.150 nan 0.000 0.500 276 D N -0.732 119.635 120.400 -0.055 0.000 2.472 276 D HA 0.445 5.086 4.640 0.001 0.000 0.248 276 D C -0.043 176.311 176.300 0.091 0.000 1.271 276 D CA 0.838 54.922 54.000 0.140 0.000 0.888 276 D CB 0.070 40.896 40.800 0.043 0.000 1.337 276 D HN 0.804 nan 8.370 nan 0.000 0.526 277 G N 3.178 112.042 108.800 0.106 0.000 2.850 277 G HA2 -0.075 3.886 3.960 0.001 0.000 0.686 277 G HA3 -0.075 3.886 3.960 0.001 0.000 0.686 277 G C -2.842 172.011 174.900 -0.079 0.000 1.164 277 G CA -0.858 44.278 45.100 0.059 0.000 0.826 277 G HN 0.380 nan 8.290 nan 0.000 0.586 278 P HA 0.546 nan 4.420 nan 0.000 0.297 278 P C 0.388 177.639 177.300 -0.082 0.000 1.342 278 P CA -0.811 62.275 63.100 -0.023 0.000 0.801 278 P CB 0.612 32.300 31.700 -0.021 0.000 0.920 279 F N 1.265 121.241 119.950 0.043 0.000 2.558 279 F HA 0.028 4.556 4.527 0.001 0.000 0.298 279 F C 1.095 176.926 175.800 0.052 0.000 1.119 279 F CA 0.341 58.376 58.000 0.059 0.000 1.451 279 F CB -0.318 38.730 39.000 0.080 0.000 1.091 279 F HN 0.145 nan 8.300 nan 0.000 0.563 280 L N 0.458 121.788 121.223 0.179 0.000 2.483 280 L HA 0.001 4.341 4.340 0.001 0.000 0.276 280 L C 1.272 178.110 176.870 -0.052 0.000 1.213 280 L CA 0.428 55.263 54.840 -0.009 0.000 0.843 280 L CB -0.035 41.937 42.059 -0.146 0.000 1.107 280 L HN 0.245 nan 8.230 nan 0.000 0.487 281 E N -0.545 119.591 120.200 -0.107 0.000 4.976 281 E HA -0.394 3.956 4.350 0.001 0.000 0.222 281 E C 1.478 178.069 176.600 -0.016 0.000 0.944 281 E CA 1.857 58.217 56.400 -0.067 0.000 1.778 281 E CB -0.689 28.966 29.700 -0.075 0.000 1.790 281 E HN 0.844 nan 8.360 nan 0.000 0.404 282 Q N 0.192 119.995 119.800 0.005 0.000 2.167 282 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 282 Q C 2.153 178.183 176.000 0.050 0.000 0.970 282 Q CA 1.837 57.656 55.803 0.026 0.000 0.855 282 Q CB 0.275 29.030 28.738 0.028 0.000 0.911 282 Q HN 0.275 nan 8.270 nan 0.000 0.438 283 V N -0.243 119.701 119.914 0.051 0.000 2.521 283 V HA 0.001 4.122 4.120 0.001 0.000 0.239 283 V C 0.699 176.806 176.094 0.023 0.000 1.053 283 V CA 0.389 62.675 62.300 -0.023 0.000 1.073 283 V CB 0.206 31.950 31.823 -0.132 0.000 0.746 283 V HN 0.253 nan 8.190 nan 0.000 0.476 284 L N 2.169 123.449 121.223 0.095 0.000 2.352 284 L HA 0.420 4.760 4.340 0.001 0.000 0.272 284 L C 0.751 177.664 176.870 0.072 0.000 1.109 284 L CA 0.674 55.620 54.840 0.176 0.000 0.952 284 L CB 0.110 42.337 42.059 0.281 0.000 1.314 284 L HN 0.215 nan 8.230 nan 0.000 0.427 285 R N 2.114 122.667 120.500 0.088 0.000 2.543 285 R HA 0.273 4.613 4.340 0.001 0.000 0.323 285 R C -0.471 175.857 176.300 0.046 0.000 1.002 285 R CA -0.269 55.852 56.100 0.035 0.000 1.106 285 R CB 0.522 30.829 30.300 0.011 0.000 1.280 285 R HN 0.389 nan 8.270 nan 0.000 0.549 286 R N 0.160 120.715 120.500 0.092 0.000 2.561 286 R HA 0.414 4.754 4.340 0.001 0.000 0.297 286 R C -0.833 175.515 176.300 0.081 0.000 0.969 286 R CA -0.698 55.453 56.100 0.085 0.000 0.879 286 R CB 1.413 31.783 30.300 0.117 0.000 1.178 286 R HN 0.033 nan 8.270 nan 0.000 0.445 287 L N 4.205 125.459 121.223 0.051 0.000 3.092 287 L HA -0.238 4.102 4.340 0.001 0.000 0.617 287 L C -0.749 176.150 176.870 0.048 0.000 1.006 287 L CA 0.143 55.009 54.840 0.044 0.000 1.302 287 L CB -0.540 41.546 42.059 0.045 0.000 1.573 287 L HN 0.692 nan 8.230 nan 0.000 0.771 288 L N 2.439 123.681 121.223 0.031 0.000 0.735 288 L HA -0.126 4.214 4.340 0.001 0.000 0.364 288 L C -1.104 175.779 176.870 0.022 0.000 1.004 288 L CA 0.423 55.279 54.840 0.027 0.000 1.222 288 L CB -0.145 41.936 42.059 0.037 0.000 0.325 288 L HN 0.479 nan 8.230 nan 0.000 0.197 289 P HA -0.097 nan 4.420 nan 0.000 0.200 289 P C 0.407 177.684 177.300 -0.039 0.000 1.007 289 P CA 1.404 64.491 63.100 -0.021 0.000 0.916 289 P CB 0.312 31.998 31.700 -0.023 0.000 0.696 290 E N -1.831 118.348 120.200 -0.035 0.000 3.067 290 E HA 0.220 4.570 4.350 0.001 0.000 0.188 290 E C 1.277 177.885 176.600 0.013 0.000 0.964 290 E CA 0.053 56.424 56.400 -0.049 0.000 1.286 290 E CB 0.425 30.059 29.700 -0.110 0.000 1.051 290 E HN 0.271 nan 8.360 nan 0.000 0.465 291 G N 0.923 109.741 108.800 0.030 0.000 2.518 291 G HA2 -0.100 3.860 3.960 0.001 0.000 0.213 291 G HA3 -0.100 3.860 3.960 0.001 0.000 0.213 291 G C 0.970 175.909 174.900 0.065 0.000 1.226 291 G CA 0.508 45.632 45.100 0.041 0.000 0.822 291 G HN 0.024 nan 8.290 nan 0.000 0.546 292 D N 0.011 120.454 120.400 0.071 0.000 2.503 292 D HA 0.340 4.981 4.640 0.001 0.000 0.218 292 D C 2.154 178.522 176.300 0.113 0.000 1.183 292 D CA 0.406 54.456 54.000 0.082 0.000 0.827 292 D CB 0.932 41.766 40.800 0.056 0.000 1.034 292 D HN 0.246 nan 8.370 nan 0.000 0.510 293 A N 0.489 123.391 122.820 0.136 0.000 1.873 293 A HA -0.044 4.277 4.320 0.001 0.000 0.215 293 A C 1.028 178.815 177.584 0.338 0.000 1.186 293 A CA 0.836 52.987 52.037 0.191 0.000 0.616 293 A CB -0.185 18.907 19.000 0.154 0.000 0.823 293 A HN 0.047 nan 8.150 nan 0.000 0.442 294 F N -0.919 119.072 119.950 0.069 0.000 2.213 294 F HA 0.443 4.970 4.527 0.001 0.000 0.297 294 F C 2.000 177.834 175.800 0.056 0.000 1.094 294 F CA -0.460 57.582 58.000 0.070 0.000 1.121 294 F CB 0.405 39.437 39.000 0.054 0.000 1.622 294 F HN 0.328 nan 8.300 nan 0.000 0.521 295 S N -0.122 115.636 115.700 0.097 0.000 3.140 295 S HA -0.388 4.082 4.470 0.001 0.000 0.283 295 S C 1.875 176.476 174.600 0.001 0.000 1.462 295 S CA 1.925 60.142 58.200 0.029 0.000 3.164 295 S CB -1.021 62.223 63.200 0.074 0.000 1.477 295 S HN 0.671 nan 8.310 nan 0.000 0.493 296 R N 1.468 121.990 120.500 0.037 0.000 2.096 296 R HA 0.035 4.376 4.340 0.001 0.000 0.235 296 R C 2.582 178.890 176.300 0.013 0.000 1.127 296 R CA 1.542 57.657 56.100 0.024 0.000 0.968 296 R CB -0.415 29.907 30.300 0.037 0.000 0.861 296 R HN 0.595 nan 8.270 nan 0.000 0.440 297 A N 1.415 124.254 122.820 0.032 0.000 1.878 297 A HA -0.051 4.270 4.320 0.001 0.000 0.213 297 A C 2.167 179.760 177.584 0.015 0.000 1.192 297 A CA 0.897 52.959 52.037 0.042 0.000 0.619 297 A CB -0.392 18.688 19.000 0.133 0.000 0.837 297 A HN 0.390 nan 8.150 nan 0.000 0.446 298 I N -3.485 117.026 120.570 -0.099 0.000 2.676 298 I HA -0.129 4.042 4.170 0.001 0.000 0.259 298 I C 1.787 177.834 176.117 -0.116 0.000 1.194 298 I CA 1.223 62.410 61.300 -0.188 0.000 1.473 298 I CB -0.332 37.352 38.000 -0.527 0.000 1.096 298 I HN 0.089 nan 8.210 nan 0.000 0.443 299 Q N 0.911 120.660 119.800 -0.085 0.000 2.432 299 Q HA 0.072 4.413 4.340 0.001 0.000 0.205 299 Q C 1.817 177.788 176.000 -0.048 0.000 0.945 299 Q CA 0.539 56.305 55.803 -0.061 0.000 0.924 299 Q CB -0.051 28.660 28.738 -0.045 0.000 1.016 299 Q HN 0.476 nan 8.270 nan 0.000 0.503 300 R N 0.184 120.664 120.500 -0.034 0.000 2.334 300 R HA 0.215 4.555 4.340 0.001 0.000 0.216 300 R C 0.011 176.301 176.300 -0.017 0.000 0.905 300 R CA 0.059 56.141 56.100 -0.030 0.000 1.064 300 R CB 0.510 30.796 30.300 -0.024 0.000 1.046 300 R HN 0.023 nan 8.270 nan 0.000 0.508 301 S N -0.102 115.599 115.700 0.001 0.000 2.745 301 S HA 0.536 5.007 4.470 0.001 0.000 0.292 301 S C -0.505 174.118 174.600 0.038 0.000 1.133 301 S CA -0.523 57.712 58.200 0.057 0.000 0.998 301 S CB 1.902 65.168 63.200 0.109 0.000 1.087 301 S HN 0.200 nan 8.310 nan 0.000 0.551 302 L N 2.016 123.311 121.223 0.119 0.000 2.596 302 L HA 0.476 4.817 4.340 0.001 0.000 0.265 302 L C -1.687 175.299 176.870 0.193 0.000 0.962 302 L CA -0.575 54.346 54.840 0.134 0.000 0.891 302 L CB 1.349 43.534 42.059 0.211 0.000 1.248 302 L HN 0.531 nan 8.230 nan 0.000 0.410 303 L N 5.723 126.967 121.223 0.036 0.000 2.334 303 L HA 0.738 5.078 4.340 0.001 0.000 0.277 303 L C -1.052 175.718 176.870 -0.167 0.000 1.075 303 L CA 0.028 54.852 54.840 -0.027 0.000 0.804 303 L CB 1.732 43.739 42.059 -0.086 0.000 1.174 303 L HN 0.330 nan 8.230 nan 0.000 0.438 304 V N 3.390 123.154 119.914 -0.249 0.000 2.656 304 V HA 0.619 4.739 4.120 0.001 0.000 0.307 304 V C -0.458 175.466 176.094 -0.283 0.000 1.051 304 V CA -0.556 61.486 62.300 -0.431 0.000 0.893 304 V CB 2.017 33.342 31.823 -0.831 0.000 0.999 304 V HN 0.920 nan 8.190 nan 0.000 0.426 305 S N 2.614 118.152 115.700 -0.269 0.000 2.451 305 S HA 0.815 5.285 4.470 0.001 0.000 0.301 305 S C -0.102 174.388 174.600 -0.183 0.000 1.116 305 S CA -0.468 57.623 58.200 -0.181 0.000 1.093 305 S CB 1.832 64.942 63.200 -0.151 0.000 1.017 305 S HN 1.206 nan 8.310 nan 0.000 0.482 306 A N 2.482 125.232 122.820 -0.116 0.000 2.838 306 A HA 0.540 4.861 4.320 0.001 0.000 0.337 306 A C -0.062 177.391 177.584 -0.217 0.000 1.383 306 A CA -0.581 51.434 52.037 -0.037 0.000 0.985 306 A CB -0.275 18.806 19.000 0.136 0.000 1.157 306 A HN 0.851 nan 8.150 nan 0.000 0.497 307 D N 1.062 121.298 120.400 -0.274 0.000 2.446 307 D HA 0.378 5.018 4.640 0.001 0.000 0.288 307 D C -0.360 175.646 176.300 -0.490 0.000 1.195 307 D CA -0.110 53.665 54.000 -0.374 0.000 1.095 307 D CB 0.568 41.209 40.800 -0.265 0.000 1.153 307 D HN 0.393 nan 8.370 nan 0.000 0.568 308 N N -0.680 117.819 118.700 -0.334 0.000 2.558 308 N HA 0.589 5.329 4.740 0.001 0.000 0.285 308 N C -1.413 173.909 175.510 -0.313 0.000 1.112 308 N CA -0.504 52.391 53.050 -0.258 0.000 0.857 308 N CB 1.975 40.339 38.487 -0.204 0.000 1.376 308 N HN 0.412 nan 8.380 nan 0.000 0.526 309 A N 1.269 123.941 122.820 -0.247 0.000 2.304 309 A HA 0.341 4.661 4.320 0.001 0.000 0.271 309 A C 0.477 177.842 177.584 -0.364 0.000 1.091 309 A CA -0.169 51.683 52.037 -0.308 0.000 0.812 309 A CB 0.391 19.303 19.000 -0.146 0.000 1.056 309 A HN 0.741 nan 8.150 nan 0.000 0.489 310 H N 1.285 120.235 119.070 -0.200 0.000 2.268 310 H HA 0.303 4.860 4.556 0.002 0.000 0.313 310 H C 1.353 176.588 175.328 -0.156 0.000 1.056 310 H CA 1.181 56.984 56.048 -0.408 0.000 1.369 310 H CB -0.526 28.797 29.762 -0.732 0.000 1.422 310 H HN 1.349 nan 8.280 nan 0.000 0.520 311 G N 0.665 109.455 108.800 -0.017 0.000 2.767 311 G HA2 -0.182 3.779 3.960 0.001 0.000 0.686 311 G HA3 -0.182 3.779 3.960 0.001 0.000 0.686 311 G C -0.006 175.084 174.900 0.317 0.000 1.213 311 G CA -0.152 44.936 45.100 -0.019 0.000 0.803 311 G HN 0.565 nan 8.290 nan 0.000 0.603 312 V N 0.534 120.637 119.914 0.314 0.000 2.583 312 V HA 0.187 4.307 4.120 0.001 0.000 0.302 312 V C 1.110 177.499 176.094 0.492 0.000 1.033 312 V CA 0.154 62.770 62.300 0.527 0.000 1.194 312 V CB 0.586 32.619 31.823 0.351 0.000 0.879 312 V HN 1.014 nan 8.190 nan 0.000 0.482 313 H N 8.865 128.208 119.070 0.454 0.000 2.646 313 H HA 0.279 4.836 4.556 0.002 0.000 0.325 313 H C -1.536 173.870 175.328 0.131 0.000 1.075 313 H CA -1.833 54.348 56.048 0.222 0.000 1.421 313 H CB 2.191 31.947 29.762 -0.010 0.000 1.461 313 H HN 0.536 nan 8.280 nan 0.000 0.525 314 P HA -0.110 nan 4.420 nan 0.000 0.225 314 P C 0.470 177.832 177.300 0.103 0.000 1.148 314 P CA 1.073 64.234 63.100 0.103 0.000 0.779 314 P CB 0.703 32.417 31.700 0.024 0.000 0.780 315 N N -1.499 117.319 118.700 0.196 0.000 2.463 315 N HA 0.004 4.745 4.740 0.001 0.000 0.183 315 N C 0.125 175.410 175.510 -0.376 0.000 1.064 315 N CA 0.412 53.362 53.050 -0.167 0.000 0.879 315 N CB 0.082 38.343 38.487 -0.378 0.000 1.148 315 N HN 0.242 nan 8.380 nan 0.000 0.451 316 Y N 1.092 121.362 120.300 -0.050 0.000 2.793 316 Y HA 0.457 5.006 4.550 -0.000 0.000 0.374 316 Y C 1.228 177.157 175.900 0.049 0.000 1.135 316 Y CA -0.671 57.366 58.100 -0.105 0.000 1.451 316 Y CB 0.306 38.572 38.460 -0.323 0.000 1.541 316 Y HN 0.016 nan 8.280 nan 0.000 0.546 317 A N 0.229 123.141 122.820 0.153 0.000 2.066 317 A HA -0.136 4.184 4.320 0.001 0.000 0.218 317 A C 1.533 179.203 177.584 0.143 0.000 1.157 317 A CA 1.408 53.542 52.037 0.162 0.000 0.670 317 A CB -0.228 18.830 19.000 0.096 0.000 0.804 317 A HN 0.613 nan 8.150 nan 0.000 0.453 318 D N -1.446 119.018 120.400 0.107 0.000 2.690 318 D HA 0.059 4.700 4.640 0.001 0.000 0.236 318 D C 0.610 176.946 176.300 0.060 0.000 1.218 318 D CA -0.165 53.882 54.000 0.077 0.000 0.829 318 D CB -0.012 40.818 40.800 0.051 0.000 1.009 318 D HN 0.197 nan 8.370 nan 0.000 0.482 319 R N -0.251 120.283 120.500 0.057 0.000 2.476 319 R HA 0.222 4.562 4.340 0.001 0.000 0.276 319 R C -0.185 175.966 176.300 -0.249 0.000 0.941 319 R CA -0.118 55.932 56.100 -0.084 0.000 1.088 319 R CB 0.384 30.621 30.300 -0.104 0.000 1.216 319 R HN 0.367 nan 8.270 nan 0.000 0.533 320 H N -0.292 118.880 119.070 0.169 0.000 2.941 320 H HA 0.338 4.895 4.556 0.002 0.000 0.344 320 H C -0.895 174.520 175.328 0.145 0.000 1.235 320 H CA -0.929 55.233 56.048 0.189 0.000 1.149 320 H CB 1.995 31.899 29.762 0.237 0.000 1.885 320 H HN -0.031 nan 8.280 nan 0.000 0.558 321 D N 0.304 120.893 120.400 0.316 0.000 2.947 321 D HA 0.410 5.051 4.640 0.001 0.000 0.224 321 D C 0.513 176.861 176.300 0.080 0.000 1.230 321 D CA -0.083 54.005 54.000 0.148 0.000 0.871 321 D CB 2.086 42.950 40.800 0.106 0.000 1.671 321 D HN 0.836 nan 8.370 nan 0.000 0.507 322 A N 3.528 126.351 122.820 0.004 0.000 4.191 322 A HA -0.397 3.924 4.320 0.001 0.000 0.361 322 A C 0.360 177.962 177.584 0.030 0.000 1.622 322 A CA 2.219 54.237 52.037 -0.032 0.000 0.840 322 A CB -2.638 16.321 19.000 -0.067 0.000 1.507 322 A HN 0.984 nan 8.150 nan 0.000 0.562 323 N N 2.360 121.083 118.700 0.038 0.000 2.431 323 N HA 0.470 5.211 4.740 0.001 0.000 0.265 323 N C -0.079 175.599 175.510 0.281 0.000 1.184 323 N CA 0.930 54.072 53.050 0.154 0.000 0.943 323 N CB 0.170 38.679 38.487 0.037 0.000 1.080 323 N HN 1.072 nan 8.380 nan 0.000 0.477 324 H N -0.493 118.593 119.070 0.025 0.000 4.162 324 H HA 0.815 5.372 4.556 0.001 0.000 0.374 324 H C -0.163 175.124 175.328 -0.068 0.000 1.389 324 H CA -1.394 54.614 56.048 -0.067 0.000 1.108 324 H CB 0.697 30.432 29.762 -0.046 0.000 0.909 324 H HN 0.587 nan 8.280 nan 0.000 0.731 325 G N 1.417 109.997 108.800 -0.366 0.000 3.112 325 G HA2 0.132 4.092 3.960 0.001 0.000 0.234 325 G HA3 0.132 4.092 3.960 0.001 0.000 0.234 325 G C -3.353 171.455 174.900 -0.153 0.000 3.847 325 G CA -0.527 44.390 45.100 -0.306 0.000 0.449 325 G HN 0.449 nan 8.290 nan 0.000 0.332 326 P HA 0.455 nan 4.420 nan 0.000 0.272 326 P C 0.787 178.093 177.300 0.010 0.000 1.230 326 P CA 0.114 63.217 63.100 0.005 0.000 0.788 326 P CB 1.033 32.752 31.700 0.032 0.000 0.949 327 A N 1.836 124.690 122.820 0.057 0.000 2.475 327 A HA 0.234 4.555 4.320 0.001 0.000 0.239 327 A C 0.512 178.137 177.584 0.068 0.000 1.087 327 A CA 0.049 52.129 52.037 0.072 0.000 0.779 327 A CB -1.068 17.987 19.000 0.091 0.000 1.036 327 A HN 0.572 nan 8.150 nan 0.000 0.506 328 L N -0.331 120.957 121.223 0.109 0.000 3.754 328 L HA -0.165 4.175 4.340 0.001 0.000 0.410 328 L C -0.314 176.623 176.870 0.112 0.000 1.230 328 L CA 0.888 55.813 54.840 0.143 0.000 0.901 328 L CB -2.266 39.844 42.059 0.085 0.000 1.982 328 L HN 0.827 nan 8.230 nan 0.000 0.822 329 N N -1.018 117.747 118.700 0.108 0.000 2.525 329 N HA 0.717 5.458 4.740 0.001 0.000 0.270 329 N C 0.373 175.871 175.510 -0.019 0.000 1.321 329 N CA 0.001 53.022 53.050 -0.049 0.000 0.797 329 N CB 1.477 39.902 38.487 -0.104 0.000 1.529 329 N HN 0.108 nan 8.380 nan 0.000 0.491 330 G N -0.968 107.673 108.800 -0.265 0.000 2.667 330 G HA2 0.354 4.314 3.960 0.001 0.000 0.250 330 G HA3 0.354 4.314 3.960 0.001 0.000 0.250 330 G C 0.365 175.260 174.900 -0.009 0.000 1.212 330 G CA -0.299 44.727 45.100 -0.122 0.000 0.874 330 G HN 0.467 nan 8.290 nan 0.000 0.561 331 G N 0.521 109.354 108.800 0.056 0.000 2.298 331 G HA2 0.426 4.387 3.960 0.001 0.000 0.263 331 G HA3 0.426 4.387 3.960 0.001 0.000 0.263 331 G C -2.433 172.517 174.900 0.083 0.000 1.229 331 G CA -0.482 44.677 45.100 0.098 0.000 0.976 331 G HN 0.420 nan 8.290 nan 0.000 0.459 332 P HA 0.153 nan 4.420 nan 0.000 0.276 332 P C 0.054 177.395 177.300 0.069 0.000 1.235 332 P CA -0.484 62.638 63.100 0.037 0.000 0.772 332 P CB 1.348 33.048 31.700 0.001 0.000 0.871 333 V N 5.705 125.677 119.914 0.098 0.000 2.381 333 V HA 0.058 4.178 4.120 0.001 0.000 0.257 333 V C 0.725 176.882 176.094 0.105 0.000 1.057 333 V CA 0.048 62.416 62.300 0.114 0.000 1.013 333 V CB -0.971 30.937 31.823 0.143 0.000 1.069 333 V HN 0.387 nan 8.190 nan 0.000 0.484 334 I N 5.527 126.143 120.570 0.076 0.000 2.379 334 I HA 0.279 4.449 4.170 0.001 0.000 0.290 334 I C 0.435 176.630 176.117 0.129 0.000 1.063 334 I CA 0.175 61.531 61.300 0.094 0.000 1.351 334 I CB 0.215 38.268 38.000 0.088 0.000 1.410 334 I HN 0.475 nan 8.210 nan 0.000 0.505 335 K N 7.874 128.328 120.400 0.089 0.000 2.559 335 K HA 0.670 4.991 4.320 0.001 0.000 0.249 335 K C -1.051 175.501 176.600 -0.079 0.000 0.958 335 K CA -0.318 56.012 56.287 0.072 0.000 0.901 335 K CB 1.773 34.368 32.500 0.159 0.000 1.124 335 K HN 0.511 nan 8.250 nan 0.000 0.437 336 I N 2.393 122.830 120.570 -0.221 0.000 2.647 336 I HA 0.252 4.422 4.170 0.001 0.000 0.295 336 I C 0.418 176.379 176.117 -0.261 0.000 1.078 336 I CA -0.564 60.502 61.300 -0.390 0.000 1.048 336 I CB 1.985 39.442 38.000 -0.904 0.000 1.239 336 I HN 0.713 nan 8.210 nan 0.000 0.421 337 N N 2.171 120.771 118.700 -0.166 0.000 2.104 337 N HA -0.041 4.699 4.740 0.001 0.000 0.227 337 N C 0.997 176.457 175.510 -0.084 0.000 1.321 337 N CA 0.176 53.167 53.050 -0.098 0.000 0.877 337 N CB 0.412 38.876 38.487 -0.038 0.000 1.117 337 N HN 0.582 nan 8.380 nan 0.000 0.486 338 S N 2.107 117.753 115.700 -0.091 0.000 2.436 338 S HA -0.060 4.411 4.470 0.001 0.000 0.208 338 S C 1.223 175.785 174.600 -0.063 0.000 1.063 338 S CA 0.940 59.104 58.200 -0.060 0.000 1.120 338 S CB -0.488 62.685 63.200 -0.045 0.000 1.053 338 S HN 0.237 nan 8.310 nan 0.000 0.407 339 N N 0.244 118.898 118.700 -0.077 0.000 2.238 339 N HA 0.330 5.071 4.740 0.001 0.000 0.235 339 N C 0.668 176.137 175.510 -0.069 0.000 1.209 339 N CA 0.012 53.027 53.050 -0.059 0.000 0.879 339 N CB 0.749 39.212 38.487 -0.041 0.000 1.136 339 N HN 0.607 nan 8.380 nan 0.000 0.517 340 Q N -0.559 119.167 119.800 -0.123 0.000 2.459 340 Q HA 0.275 4.616 4.340 0.001 0.000 0.260 340 Q C -0.408 175.527 176.000 -0.109 0.000 0.828 340 Q CA -0.347 55.387 55.803 -0.115 0.000 0.987 340 Q CB 1.067 29.672 28.738 -0.223 0.000 1.216 340 Q HN -0.011 nan 8.270 nan 0.000 0.558 341 R N 1.626 121.999 120.500 -0.211 0.000 2.709 341 R HA -0.184 4.157 4.340 0.001 0.000 0.275 341 R C -1.498 174.809 176.300 0.012 0.000 0.947 341 R CA 0.515 56.539 56.100 -0.127 0.000 0.784 341 R CB -1.475 28.796 30.300 -0.049 0.000 2.000 341 R HN 0.361 nan 8.270 nan 0.000 0.517 342 Y N 0.673 120.945 120.300 -0.047 0.000 2.286 342 Y HA 0.358 4.908 4.550 0.001 0.000 0.347 342 Y C 1.775 177.649 175.900 -0.044 0.000 1.351 342 Y CA -0.668 57.401 58.100 -0.052 0.000 1.640 342 Y CB 0.245 38.666 38.460 -0.065 0.000 1.560 342 Y HN 0.556 nan 8.280 nan 0.000 0.574 343 A N -0.116 122.785 122.820 0.135 0.000 3.656 343 A HA 0.242 4.563 4.320 0.001 0.000 0.151 343 A C 0.237 177.850 177.584 0.048 0.000 1.657 343 A CA 0.388 52.454 52.037 0.048 0.000 1.148 343 A CB -1.152 17.847 19.000 -0.002 0.000 1.569 343 A HN 0.818 nan 8.150 nan 0.000 0.709 344 T N 0.906 115.473 114.554 0.021 0.000 1.654 344 T HA -0.117 4.234 4.350 0.001 0.000 0.631 344 T C -0.191 174.533 174.700 0.040 0.000 0.940 344 T CA 0.856 62.974 62.100 0.030 0.000 3.353 344 T CB -1.884 67.013 68.868 0.047 0.000 1.933 344 T HN 1.140 nan 8.240 nan 0.000 0.395 345 N N 0.586 119.308 118.700 0.035 0.000 2.909 345 N HA 0.667 5.407 4.740 0.001 0.000 0.326 345 N C 1.412 176.953 175.510 0.052 0.000 1.368 345 N CA -0.277 52.795 53.050 0.037 0.000 0.797 345 N CB 0.076 38.576 38.487 0.022 0.000 1.150 345 N HN 0.187 nan 8.380 nan 0.000 0.550 346 S N -0.260 115.468 115.700 0.047 0.000 2.338 346 S HA -0.180 4.291 4.470 0.001 0.000 0.218 346 S C 1.135 175.782 174.600 0.078 0.000 1.032 346 S CA 1.477 59.711 58.200 0.056 0.000 0.999 346 S CB -0.852 62.373 63.200 0.042 0.000 0.905 346 S HN 0.798 nan 8.310 nan 0.000 0.439 347 E N 0.905 121.148 120.200 0.071 0.000 2.416 347 E HA 0.111 4.462 4.350 0.001 0.000 0.189 347 E C 0.540 177.214 176.600 0.124 0.000 1.091 347 E CA 0.474 56.935 56.400 0.102 0.000 0.889 347 E CB -0.272 29.460 29.700 0.052 0.000 1.015 347 E HN 0.328 nan 8.360 nan 0.000 0.479 348 T N 0.170 114.794 114.554 0.117 0.000 3.085 348 T HA 0.189 4.540 4.350 0.001 0.000 0.241 348 T C 1.925 176.737 174.700 0.188 0.000 0.988 348 T CA 0.537 62.712 62.100 0.125 0.000 1.117 348 T CB 0.164 69.062 68.868 0.050 0.000 0.978 348 T HN 0.312 nan 8.240 nan 0.000 0.454 349 A N 1.463 124.375 122.820 0.153 0.000 1.898 349 A HA 0.187 4.508 4.320 0.001 0.000 0.216 349 A C 2.449 180.144 177.584 0.185 0.000 1.181 349 A CA 1.855 53.990 52.037 0.164 0.000 0.620 349 A CB -1.245 17.828 19.000 0.121 0.000 0.819 349 A HN 0.486 nan 8.150 nan 0.000 0.442 350 G N -2.289 106.616 108.800 0.176 0.000 2.448 350 G HA2 -0.100 3.861 3.960 0.001 0.000 0.218 350 G HA3 -0.100 3.861 3.960 0.001 0.000 0.218 350 G C 1.224 176.251 174.900 0.211 0.000 1.135 350 G CA 0.805 46.002 45.100 0.161 0.000 0.784 350 G HN 0.432 nan 8.290 nan 0.000 0.543 351 F N -0.842 119.195 119.950 0.145 0.000 2.789 351 F HA 0.449 4.977 4.527 0.001 0.000 0.300 351 F C 0.445 176.399 175.800 0.257 0.000 1.132 351 F CA -0.293 57.818 58.000 0.186 0.000 1.404 351 F CB 0.427 39.528 39.000 0.168 0.000 1.114 351 F HN 0.062 nan 8.300 nan 0.000 0.584 352 F N 0.493 120.539 119.950 0.159 0.000 2.623 352 F HA 0.339 4.867 4.527 0.001 0.000 0.361 352 F C 0.852 176.670 175.800 0.031 0.000 1.469 352 F CA -0.214 57.827 58.000 0.068 0.000 1.126 352 F CB -0.193 38.829 39.000 0.036 0.000 1.221 352 F HN -0.138 nan 8.300 nan 0.000 0.536 353 R N -1.167 119.309 120.500 -0.040 0.000 3.071 353 R HA 0.004 4.345 4.340 0.001 0.000 0.138 353 R C 1.568 177.829 176.300 -0.066 0.000 0.826 353 R CA 0.227 56.294 56.100 -0.055 0.000 1.659 353 R CB -0.298 30.025 30.300 0.038 0.000 1.678 353 R HN 0.453 nan 8.270 nan 0.000 0.514 354 H N 0.984 119.978 119.070 -0.128 0.000 2.436 354 H HA 0.009 4.566 4.556 0.001 0.000 0.294 354 H C 1.644 176.857 175.328 -0.191 0.000 1.048 354 H CA 1.004 56.965 56.048 -0.147 0.000 1.353 354 H CB 0.577 30.250 29.762 -0.148 0.000 1.414 354 H HN 0.156 nan 8.280 nan 0.000 0.536 355 L N 0.824 121.850 121.223 -0.328 0.000 2.093 355 L HA -0.156 4.184 4.340 0.001 0.000 0.208 355 L C 2.807 179.450 176.870 -0.379 0.000 1.085 355 L CA 1.227 55.846 54.840 -0.368 0.000 0.755 355 L CB -1.373 40.541 42.059 -0.242 0.000 0.904 355 L HN 0.434 nan 8.230 nan 0.000 0.435 356 C N -0.525 118.524 119.300 -0.419 0.000 2.486 356 C HA -0.136 4.324 4.460 0.001 0.000 0.279 356 C C 2.846 177.692 174.990 -0.239 0.000 1.302 356 C CA 0.830 59.633 59.018 -0.359 0.000 1.720 356 C CB -0.429 27.078 27.740 -0.389 0.000 2.030 356 C HN 0.598 nan 8.230 nan 0.000 0.490 357 Q N -0.097 119.572 119.800 -0.217 0.000 2.119 357 Q HA -0.200 4.141 4.340 0.001 0.000 0.201 357 Q C 1.944 177.840 176.000 -0.173 0.000 0.972 357 Q CA 1.714 57.424 55.803 -0.156 0.000 0.847 357 Q CB -0.372 28.312 28.738 -0.090 0.000 0.903 357 Q HN 0.680 nan 8.270 nan 0.000 0.433 358 D N -0.483 119.751 120.400 -0.276 0.000 2.144 358 D HA -0.076 4.565 4.640 0.001 0.000 0.199 358 D C 0.514 176.717 176.300 -0.160 0.000 0.984 358 D CA 0.904 54.752 54.000 -0.254 0.000 0.834 358 D CB 0.210 40.776 40.800 -0.390 0.000 0.955 358 D HN 0.100 nan 8.370 nan 0.000 0.465 359 S N 0.563 116.169 115.700 -0.157 0.000 2.552 359 S HA 0.142 4.612 4.470 0.001 0.000 0.246 359 S C -0.738 173.815 174.600 -0.078 0.000 1.019 359 S CA -0.263 57.877 58.200 -0.101 0.000 1.045 359 S CB 0.485 63.630 63.200 -0.092 0.000 0.784 359 S HN 0.223 nan 8.310 nan 0.000 0.453 360 E N 0.414 120.563 120.200 -0.085 0.000 7.548 360 E HA -0.135 4.216 4.350 0.001 0.000 0.443 360 E C 0.149 176.699 176.600 -0.084 0.000 0.387 360 E CA 0.101 56.462 56.400 -0.065 0.000 0.714 360 E CB -0.650 29.033 29.700 -0.028 0.000 0.961 360 E HN 0.301 nan 8.360 nan 0.000 0.264 361 V N 0.013 119.866 119.914 -0.103 0.000 4.057 361 V HA 0.485 4.605 4.120 0.001 0.000 0.264 361 V C -1.751 174.219 176.094 -0.207 0.000 0.923 361 V CA -0.471 61.743 62.300 -0.143 0.000 0.799 361 V CB -0.412 31.336 31.823 -0.124 0.000 1.166 361 V HN 0.630 nan 8.190 nan 0.000 0.375 362 P HA 0.472 nan 4.420 nan 0.000 0.297 362 P C -0.876 176.312 177.300 -0.188 0.000 1.331 362 P CA -0.200 62.780 63.100 -0.201 0.000 0.803 362 P CB 1.437 33.022 31.700 -0.192 0.000 0.929 363 V N 4.074 123.909 119.914 -0.132 0.000 2.509 363 V HA 0.255 4.375 4.120 0.001 0.000 0.284 363 V C 0.011 176.070 176.094 -0.059 0.000 1.047 363 V CA 0.060 62.305 62.300 -0.092 0.000 0.952 363 V CB 1.089 32.859 31.823 -0.089 0.000 0.988 363 V HN 0.545 nan 8.190 nan 0.000 0.469 364 Q N 3.378 123.155 119.800 -0.038 0.000 2.823 364 Q HA 0.806 5.146 4.340 0.001 0.000 0.230 364 Q C -0.910 175.105 176.000 0.026 0.000 1.026 364 Q CA -0.650 55.134 55.803 -0.031 0.000 0.940 364 Q CB 2.153 30.841 28.738 -0.084 0.000 1.382 364 Q HN 0.925 nan 8.270 nan 0.000 0.502 365 S N -0.807 114.923 115.700 0.051 0.000 2.547 365 S HA 0.679 5.150 4.470 0.001 0.000 0.270 365 S C -0.973 173.768 174.600 0.235 0.000 1.150 365 S CA -0.777 57.502 58.200 0.132 0.000 0.850 365 S CB 1.154 64.435 63.200 0.135 0.000 1.118 365 S HN 0.692 nan 8.310 nan 0.000 0.461 366 F N -0.405 119.568 119.950 0.038 0.000 2.183 366 F HA -0.147 4.380 4.527 0.000 0.000 0.318 366 F C 0.501 176.341 175.800 0.065 0.000 1.277 366 F CA 0.844 58.879 58.000 0.059 0.000 0.914 366 F CB -0.430 38.609 39.000 0.066 0.000 4.133 366 F HN 0.830 nan 8.300 nan 0.000 0.140 367 V N 1.023 120.841 119.914 -0.159 0.000 3.406 367 V HA 0.185 4.306 4.120 0.001 0.000 0.266 367 V C 0.105 176.305 176.094 0.177 0.000 1.697 367 V CA 1.308 63.649 62.300 0.068 0.000 1.046 367 V CB 0.902 32.751 31.823 0.042 0.000 0.879 367 V HN 0.996 nan 8.190 nan 0.000 0.399 368 T N 0.021 114.457 114.554 -0.197 0.000 2.804 368 T HA 0.652 5.002 4.350 0.001 0.000 0.272 368 T C -0.470 174.333 174.700 0.171 0.000 0.986 368 T CA -0.481 61.566 62.100 -0.088 0.000 0.999 368 T CB 1.709 70.415 68.868 -0.268 0.000 1.307 368 T HN 0.335 nan 8.240 nan 0.000 0.586 369 R N -0.237 120.336 120.500 0.122 0.000 2.867 369 R HA 0.505 4.846 4.340 0.001 0.000 0.268 369 R C 1.194 177.576 176.300 0.135 0.000 1.014 369 R CA -0.723 55.489 56.100 0.186 0.000 0.946 369 R CB 1.578 31.936 30.300 0.098 0.000 1.208 369 R HN 0.572 nan 8.270 nan 0.000 0.477 370 S N 0.423 116.204 115.700 0.136 0.000 2.368 370 S HA -0.175 4.296 4.470 0.001 0.000 0.224 370 S C 1.158 175.784 174.600 0.044 0.000 1.029 370 S CA 1.854 60.107 58.200 0.089 0.000 0.988 370 S CB -0.118 63.126 63.200 0.072 0.000 0.838 370 S HN 0.680 nan 8.310 nan 0.000 0.462 371 D N -0.073 120.348 120.400 0.035 0.000 2.162 371 D HA 0.119 4.760 4.640 0.001 0.000 0.205 371 D C 1.105 177.407 176.300 0.004 0.000 0.964 371 D CA 0.572 54.581 54.000 0.015 0.000 0.847 371 D CB 0.089 40.897 40.800 0.014 0.000 0.988 371 D HN 0.238 nan 8.370 nan 0.000 0.480 372 M N -0.604 118.999 119.600 0.004 0.000 2.066 372 M HA 0.403 4.883 4.480 0.001 0.000 0.203 372 M C -0.105 176.180 176.300 -0.025 0.000 1.145 372 M CA 0.638 55.929 55.300 -0.016 0.000 1.084 372 M CB 0.841 33.426 32.600 -0.026 0.000 1.177 372 M HN 0.202 nan 8.290 nan 0.000 0.588 373 G N 0.577 109.354 108.800 -0.039 0.000 3.055 373 G HA2 -0.042 3.919 3.960 0.001 0.000 0.686 373 G HA3 -0.042 3.919 3.960 0.001 0.000 0.686 373 G C -1.076 173.802 174.900 -0.036 0.000 1.087 373 G CA -0.548 44.526 45.100 -0.043 0.000 0.779 373 G HN 1.284 nan 8.290 nan 0.000 0.599 374 C N 2.368 121.657 119.300 -0.018 0.000 2.609 374 C HA 1.007 5.468 4.460 0.001 0.000 0.313 374 C C 1.818 176.821 174.990 0.021 0.000 1.175 374 C CA 0.421 59.432 59.018 -0.012 0.000 1.434 374 C CB 1.231 28.953 27.740 -0.029 0.000 2.005 374 C HN 2.993 nan 8.230 nan 0.000 0.471 375 G N 2.469 111.282 108.800 0.022 0.000 2.690 375 G HA2 -0.295 3.665 3.960 0.001 0.000 0.362 375 G HA3 -0.295 3.665 3.960 0.001 0.000 0.362 375 G C 0.880 175.856 174.900 0.126 0.000 1.132 375 G CA 2.196 47.323 45.100 0.046 0.000 0.922 375 G HN 2.845 nan 8.290 nan 0.000 0.595 376 S N -0.538 115.204 115.700 0.070 0.000 3.608 376 S HA -0.141 4.329 4.470 0.001 0.000 0.382 376 S C 0.721 175.300 174.600 -0.035 0.000 0.945 376 S CA 1.747 59.962 58.200 0.025 0.000 1.256 376 S CB -1.878 61.358 63.200 0.061 0.000 0.913 376 S HN 2.468 nan 8.310 nan 0.000 0.518 377 T N 1.629 116.165 114.554 -0.030 0.000 4.099 377 T HA 0.388 4.739 4.350 0.001 0.000 0.223 377 T C 0.898 175.535 174.700 -0.105 0.000 0.968 377 T CA -0.244 61.828 62.100 -0.048 0.000 0.966 377 T CB -0.686 68.161 68.868 -0.035 0.000 1.328 377 T HN 0.775 nan 8.240 nan 0.000 0.783 378 I N -0.096 120.365 120.570 -0.182 0.000 2.578 378 I HA 0.436 4.606 4.170 0.001 0.000 0.286 378 I C 1.107 177.181 176.117 -0.072 0.000 1.126 378 I CA 0.034 61.254 61.300 -0.135 0.000 1.380 378 I CB -1.030 36.857 38.000 -0.187 0.000 1.408 378 I HN 0.606 nan 8.210 nan 0.000 0.532 379 G N 9.137 117.947 108.800 0.016 0.000 2.693 379 G HA2 -0.305 3.656 3.960 0.001 0.000 0.354 379 G HA3 -0.305 3.656 3.960 0.001 0.000 0.354 379 G C -2.089 172.811 174.900 0.000 0.000 1.207 379 G CA 0.245 45.396 45.100 0.086 0.000 0.958 379 G HN 0.668 nan 8.290 nan 0.000 0.560 380 P HA 0.342 nan 4.420 nan 0.000 0.256 380 P C 0.363 177.613 177.300 -0.083 0.000 1.189 380 P CA 1.366 64.413 63.100 -0.088 0.000 0.808 380 P CB 0.461 32.099 31.700 -0.103 0.000 0.793 381 I N 2.212 122.739 120.570 -0.071 0.000 5.046 381 I HA -0.193 3.977 4.170 0.001 0.000 0.319 381 I C 0.996 177.096 176.117 -0.028 0.000 0.611 381 I CA 1.618 62.897 61.300 -0.034 0.000 1.607 381 I CB -0.887 37.113 38.000 -0.000 0.000 3.211 381 I HN 0.174 nan 8.210 nan 0.000 1.015 382 T N 0.530 115.064 114.554 -0.034 0.000 3.051 382 T HA 0.457 4.807 4.350 0.001 0.000 0.255 382 T C 1.499 176.192 174.700 -0.012 0.000 1.085 382 T CA 0.761 62.850 62.100 -0.017 0.000 1.109 382 T CB -0.024 68.832 68.868 -0.020 0.000 0.921 382 T HN 0.449 nan 8.240 nan 0.000 0.488 383 A N 1.321 124.090 122.820 -0.084 0.000 2.218 383 A HA 0.273 4.593 4.320 0.001 0.000 0.209 383 A C 2.218 179.658 177.584 -0.240 0.000 1.168 383 A CA 0.263 52.141 52.037 -0.266 0.000 0.804 383 A CB -0.468 18.190 19.000 -0.570 0.000 0.834 383 A HN 0.361 nan 8.150 nan 0.000 0.482 384 S N -0.033 115.590 115.700 -0.129 0.000 2.555 384 S HA -0.071 4.399 4.470 0.001 0.000 0.230 384 S C 1.682 176.248 174.600 -0.055 0.000 0.978 384 S CA 0.753 58.895 58.200 -0.096 0.000 0.934 384 S CB -0.109 63.052 63.200 -0.064 0.000 0.766 384 S HN 0.583 nan 8.310 nan 0.000 0.533 385 Q N 0.834 120.618 119.800 -0.026 0.000 2.364 385 Q HA 0.048 4.388 4.340 0.001 0.000 0.207 385 Q C 1.959 177.989 176.000 0.050 0.000 0.970 385 Q CA 0.521 56.337 55.803 0.022 0.000 0.888 385 Q CB -0.575 28.193 28.738 0.051 0.000 0.951 385 Q HN 0.375 nan 8.270 nan 0.000 0.469 386 V N -1.028 118.901 119.914 0.025 0.000 2.295 386 V HA -0.102 4.018 4.120 0.001 0.000 0.246 386 V C 1.369 177.449 176.094 -0.023 0.000 1.049 386 V CA 1.758 64.098 62.300 0.066 0.000 1.024 386 V CB -0.581 31.227 31.823 -0.026 0.000 0.648 386 V HN 0.530 nan 8.190 nan 0.000 0.447 387 G N -0.697 108.054 108.800 -0.081 0.000 2.245 387 G HA2 -0.069 3.891 3.960 0.001 0.000 0.116 387 G HA3 -0.069 3.891 3.960 0.001 0.000 0.116 387 G C -0.470 174.355 174.900 -0.125 0.000 1.054 387 G CA -0.195 44.850 45.100 -0.091 0.000 0.728 387 G HN 0.433 nan 8.290 nan 0.000 0.483 388 V N 0.238 120.080 119.914 -0.120 0.000 2.680 388 V HA 0.595 4.716 4.120 0.001 0.000 0.309 388 V C 0.752 176.796 176.094 -0.083 0.000 1.052 388 V CA -1.320 60.915 62.300 -0.108 0.000 0.908 388 V CB 1.805 33.556 31.823 -0.119 0.000 1.001 388 V HN 0.406 nan 8.190 nan 0.000 0.431 389 R N 1.634 122.093 120.500 -0.069 0.000 2.489 389 R HA 0.448 4.788 4.340 0.001 0.000 0.287 389 R C -0.413 175.846 176.300 -0.068 0.000 1.053 389 R CA 0.035 56.099 56.100 -0.061 0.000 1.036 389 R CB 0.370 30.633 30.300 -0.062 0.000 0.966 389 R HN 0.727 nan 8.270 nan 0.000 0.432 390 T N 2.298 116.809 114.554 -0.072 0.000 2.812 390 T HA 0.220 4.571 4.350 0.001 0.000 0.282 390 T C -0.243 174.387 174.700 -0.116 0.000 0.990 390 T CA -0.700 61.338 62.100 -0.102 0.000 0.960 390 T CB 1.751 70.558 68.868 -0.101 0.000 0.948 390 T HN 0.186 nan 8.240 nan 0.000 0.438 391 V N 3.722 123.516 119.914 -0.200 0.000 2.372 391 V HA 0.198 4.318 4.120 0.001 0.000 0.261 391 V C 0.436 176.363 176.094 -0.278 0.000 1.055 391 V CA -0.529 61.612 62.300 -0.265 0.000 0.930 391 V CB 0.638 32.149 31.823 -0.521 0.000 1.031 391 V HN 0.838 nan 8.190 nan 0.000 0.479 392 D N 5.538 125.841 120.400 -0.163 0.000 2.468 392 D HA 0.377 5.018 4.640 0.001 0.000 0.218 392 D C -0.154 176.066 176.300 -0.133 0.000 1.155 392 D CA -0.145 53.765 54.000 -0.151 0.000 0.924 392 D CB 0.776 41.522 40.800 -0.090 0.000 1.029 392 D HN 0.544 nan 8.370 nan 0.000 0.515 393 I N -0.147 120.312 120.570 -0.184 0.000 3.573 393 I HA 0.937 5.107 4.170 0.001 0.000 0.285 393 I C 0.712 176.773 176.117 -0.094 0.000 1.203 393 I CA -0.679 60.558 61.300 -0.105 0.000 1.033 393 I CB 1.762 39.718 38.000 -0.072 0.000 1.348 393 I HN 0.201 nan 8.210 nan 0.000 0.525 394 G N 0.151 108.937 108.800 -0.023 0.000 2.529 394 G HA2 0.569 4.529 3.960 0.001 0.000 0.238 394 G HA3 0.569 4.529 3.960 0.001 0.000 0.238 394 G C -1.969 172.996 174.900 0.109 0.000 1.207 394 G CA -0.836 44.264 45.100 -0.000 0.000 0.928 394 G HN 0.631 nan 8.290 nan 0.000 0.495 395 L N 0.948 122.241 121.223 0.116 0.000 2.436 395 L HA 0.425 4.766 4.340 0.001 0.000 0.268 395 L C -2.618 174.281 176.870 0.047 0.000 0.974 395 L CA -1.878 53.037 54.840 0.125 0.000 0.826 395 L CB 3.039 45.224 42.059 0.211 0.000 1.291 395 L HN 0.202 nan 8.230 nan 0.000 0.406 396 P HA 0.046 nan 4.420 nan 0.000 0.256 396 P C -0.998 176.337 177.300 0.058 0.000 1.189 396 P CA 0.568 63.679 63.100 0.020 0.000 0.808 396 P CB 0.267 31.982 31.700 0.025 0.000 0.793 397 T N 3.895 118.473 114.554 0.041 0.000 3.395 397 T HA 0.381 4.731 4.350 0.001 0.000 0.330 397 T C -0.953 173.829 174.700 0.137 0.000 1.076 397 T CA -0.205 61.955 62.100 0.100 0.000 1.070 397 T CB 0.465 69.385 68.868 0.087 0.000 1.119 397 T HN -0.039 nan 8.240 nan 0.000 0.462 398 F N 1.945 122.003 119.950 0.181 0.000 2.544 398 F HA 0.713 5.240 4.527 0.001 0.000 0.378 398 F C 0.877 176.799 175.800 0.204 0.000 1.112 398 F CA -0.427 57.728 58.000 0.259 0.000 1.115 398 F CB 0.878 40.056 39.000 0.296 0.000 1.436 398 F HN 0.817 nan 8.300 nan 0.000 0.496 399 A N 1.785 125.017 122.820 0.687 0.000 2.610 399 A HA -0.246 4.074 4.320 0.001 0.000 0.299 399 A C 0.154 177.908 177.584 0.283 0.000 1.487 399 A CA 0.769 53.028 52.037 0.369 0.000 0.743 399 A CB -2.382 16.777 19.000 0.265 0.000 1.070 399 A HN 0.646 nan 8.150 nan 0.000 0.439 400 M N -0.348 119.436 119.600 0.306 0.000 1.878 400 M HA 0.424 4.905 4.480 0.001 0.000 0.236 400 M C 1.496 177.971 176.300 0.292 0.000 1.315 400 M CA 1.170 56.635 55.300 0.274 0.000 0.986 400 M CB -0.018 32.761 32.600 0.298 0.000 1.324 400 M HN 0.587 nan 8.290 nan 0.000 0.474 401 H N -1.375 117.732 119.070 0.062 0.000 2.731 401 H HA -0.169 4.388 4.556 0.001 0.000 0.305 401 H C -0.316 175.030 175.328 0.030 0.000 1.132 401 H CA 0.478 56.546 56.048 0.033 0.000 1.148 401 H CB -1.225 28.542 29.762 0.009 0.000 1.379 401 H HN 0.546 nan 8.280 nan 0.000 0.398 402 S N -0.720 115.058 115.700 0.131 0.000 2.998 402 S HA 0.635 5.105 4.470 0.001 0.000 0.323 402 S C 0.377 175.017 174.600 0.067 0.000 1.141 402 S CA -0.495 57.763 58.200 0.098 0.000 0.873 402 S CB 1.334 64.604 63.200 0.117 0.000 1.315 402 S HN 0.261 nan 8.310 nan 0.000 0.637 403 I N 0.937 121.547 120.570 0.067 0.000 3.424 403 I HA 0.576 4.746 4.170 0.001 0.000 0.339 403 I C 0.123 176.263 176.117 0.039 0.000 1.549 403 I CA -0.180 61.145 61.300 0.041 0.000 1.049 403 I CB 0.086 38.111 38.000 0.041 0.000 1.439 403 I HN 0.417 nan 8.210 nan 0.000 0.500 404 R N 1.202 121.731 120.500 0.048 0.000 3.221 404 R HA 0.239 4.580 4.340 0.001 0.000 0.274 404 R C -1.571 174.773 176.300 0.072 0.000 0.909 404 R CA -0.837 55.289 56.100 0.045 0.000 0.803 404 R CB 0.478 30.806 30.300 0.046 0.000 1.513 404 R HN 0.191 nan 8.270 nan 0.000 0.491 405 E N 0.917 121.159 120.200 0.070 0.000 7.527 405 E HA -0.108 4.243 4.350 0.001 0.000 0.389 405 E C -1.940 174.728 176.600 0.112 0.000 0.568 405 E CA 0.840 57.294 56.400 0.091 0.000 1.067 405 E CB -0.234 29.532 29.700 0.109 0.000 0.942 405 E HN 0.895 nan 8.360 nan 0.000 0.262 406 L N 1.221 122.504 121.223 0.100 0.000 2.826 406 L HA 0.167 4.508 4.340 0.001 0.000 0.520 406 L C -0.801 176.142 176.870 0.122 0.000 1.002 406 L CA 2.555 57.462 54.840 0.113 0.000 1.275 406 L CB -0.851 41.290 42.059 0.137 0.000 1.319 406 L HN 1.668 nan 8.230 nan 0.000 0.648 407 A N 4.083 126.965 122.820 0.104 0.000 2.401 407 A HA 0.646 4.967 4.320 0.001 0.000 0.313 407 A C 0.247 177.887 177.584 0.094 0.000 1.013 407 A CA -0.258 51.841 52.037 0.104 0.000 1.034 407 A CB -0.329 18.730 19.000 0.099 0.000 1.324 407 A HN 1.977 nan 8.150 nan 0.000 0.366 408 G N 0.819 109.680 108.800 0.102 0.000 2.474 408 G HA2 0.417 4.377 3.960 0.001 0.000 0.233 408 G HA3 0.417 4.377 3.960 0.001 0.000 0.233 408 G C 0.723 175.684 174.900 0.101 0.000 1.278 408 G CA 0.658 45.824 45.100 0.111 0.000 0.861 408 G HN 1.612 nan 8.290 nan 0.000 0.567 409 S N 0.604 116.367 115.700 0.105 0.000 2.519 409 S HA 0.259 4.730 4.470 0.001 0.000 0.245 409 S C 0.658 175.272 174.600 0.024 0.000 1.152 409 S CA -0.380 57.853 58.200 0.055 0.000 1.175 409 S CB -0.371 62.856 63.200 0.044 0.000 0.829 409 S HN 0.763 nan 8.310 nan 0.000 0.472 410 H N -0.824 118.241 119.070 -0.008 0.000 3.710 410 H HA 0.196 4.753 4.556 0.001 0.000 0.245 410 H C 0.848 176.070 175.328 -0.177 0.000 1.011 410 H CA 0.212 56.214 56.048 -0.077 0.000 1.098 410 H CB 0.374 30.154 29.762 0.030 0.000 1.406 410 H HN 0.399 nan 8.280 nan 0.000 0.657 411 D N 2.024 122.517 120.400 0.155 0.000 2.178 411 D HA -0.140 4.500 4.640 0.001 0.000 0.201 411 D C 2.073 178.401 176.300 0.047 0.000 0.980 411 D CA 1.278 55.403 54.000 0.208 0.000 0.842 411 D CB 0.051 40.946 40.800 0.157 0.000 0.948 411 D HN 0.338 nan 8.370 nan 0.000 0.472 412 L N -0.295 120.903 121.223 -0.041 0.000 2.131 412 L HA 0.091 4.431 4.340 0.001 0.000 0.210 412 L C 2.154 178.950 176.870 -0.123 0.000 1.092 412 L CA 1.655 56.440 54.840 -0.092 0.000 0.759 412 L CB -1.814 40.187 42.059 -0.097 0.000 0.903 412 L HN 0.002 nan 8.230 nan 0.000 0.435 413 A N -0.007 122.684 122.820 -0.214 0.000 2.066 413 A HA -0.123 4.198 4.320 0.001 0.000 0.218 413 A C 1.873 179.325 177.584 -0.220 0.000 1.157 413 A CA 1.028 52.917 52.037 -0.247 0.000 0.670 413 A CB -0.802 18.001 19.000 -0.329 0.000 0.804 413 A HN 0.648 nan 8.150 nan 0.000 0.453 414 H N -2.060 117.025 119.070 0.024 0.000 2.520 414 H HA 0.191 4.747 4.556 0.001 0.000 0.279 414 H C 1.757 177.081 175.328 -0.006 0.000 0.990 414 H CA 0.715 56.768 56.048 0.009 0.000 1.288 414 H CB 0.160 29.930 29.762 0.013 0.000 1.446 414 H HN 0.372 nan 8.280 nan 0.000 0.538 415 L N 1.380 122.651 121.223 0.080 0.000 2.240 415 L HA -0.077 4.264 4.340 0.001 0.000 0.211 415 L C 2.168 179.040 176.870 0.004 0.000 1.106 415 L CA 0.642 55.505 54.840 0.037 0.000 0.793 415 L CB -0.116 41.929 42.059 -0.024 0.000 0.927 415 L HN 0.278 nan 8.230 nan 0.000 0.446 416 V N -2.804 117.099 119.914 -0.017 0.000 2.358 416 V HA -0.142 3.979 4.120 0.001 0.000 0.246 416 V C 1.696 177.797 176.094 0.013 0.000 1.047 416 V CA 0.946 63.237 62.300 -0.014 0.000 1.035 416 V CB -0.930 30.875 31.823 -0.031 0.000 0.658 416 V HN 0.298 nan 8.190 nan 0.000 0.452 417 K N -0.570 119.841 120.400 0.017 0.000 2.140 417 K HA 0.379 4.700 4.320 0.001 0.000 0.237 417 K C 1.019 177.629 176.600 0.017 0.000 1.045 417 K CA 0.598 56.898 56.287 0.021 0.000 0.896 417 K CB 1.278 33.792 32.500 0.023 0.000 1.122 417 K HN 0.131 nan 8.250 nan 0.000 0.503 418 V N -0.643 119.265 119.914 -0.010 0.000 0.524 418 V HA -0.442 3.679 4.120 0.001 0.000 0.092 418 V C 1.645 177.775 176.094 0.060 0.000 2.204 418 V CA 2.290 64.556 62.300 -0.057 0.000 3.556 418 V CB -1.419 30.301 31.823 -0.171 0.000 0.846 418 V HN 0.783 nan 8.190 nan 0.000 0.884 419 L N 0.450 121.731 121.223 0.096 0.000 2.156 419 L HA 0.045 4.386 4.340 0.001 0.000 0.208 419 L C 2.443 179.277 176.870 -0.061 0.000 1.095 419 L CA 1.807 56.695 54.840 0.081 0.000 0.770 419 L CB -0.623 41.427 42.059 -0.015 0.000 0.914 419 L HN 0.634 nan 8.230 nan 0.000 0.439 420 G N -0.688 108.119 108.800 0.013 0.000 2.421 420 G HA2 -0.136 3.824 3.960 0.001 0.000 0.217 420 G HA3 -0.136 3.824 3.960 0.001 0.000 0.217 420 G C 1.687 176.662 174.900 0.124 0.000 1.143 420 G CA 0.670 45.832 45.100 0.104 0.000 0.784 420 G HN 0.436 nan 8.290 nan 0.000 0.541 421 A N 0.329 123.200 122.820 0.086 0.000 2.016 421 A HA 0.235 4.556 4.320 0.001 0.000 0.217 421 A C 1.994 179.651 177.584 0.122 0.000 1.162 421 A CA 1.044 53.123 52.037 0.071 0.000 0.662 421 A CB -0.398 18.608 19.000 0.011 0.000 0.812 421 A HN 0.418 nan 8.150 nan 0.000 0.450 422 F N -0.613 119.352 119.950 0.025 0.000 2.234 422 F HA -0.108 4.419 4.527 0.001 0.000 0.299 422 F C 1.489 177.369 175.800 0.135 0.000 1.087 422 F CA 0.998 59.050 58.000 0.086 0.000 1.340 422 F CB -0.289 38.774 39.000 0.105 0.000 1.031 422 F HN 0.278 nan 8.300 nan 0.000 0.500 423 Y N 1.036 121.275 120.300 -0.102 0.000 2.688 423 Y HA 0.351 4.902 4.550 0.001 0.000 0.311 423 Y C 0.911 176.722 175.900 -0.148 0.000 1.185 423 Y CA -0.274 57.709 58.100 -0.196 0.000 1.336 423 Y CB -1.310 37.136 38.460 -0.022 0.000 1.015 423 Y HN 0.152 nan 8.280 nan 0.000 0.522 424 A N -1.887 120.948 122.820 0.026 0.000 2.566 424 A HA 0.747 5.067 4.320 0.001 0.000 0.292 424 A C 0.068 177.657 177.584 0.008 0.000 1.112 424 A CA -0.313 51.733 52.037 0.015 0.000 0.707 424 A CB 0.955 19.976 19.000 0.034 0.000 1.302 424 A HN 0.037 nan 8.150 nan 0.000 0.409 425 S N -1.092 114.616 115.700 0.013 0.000 3.349 425 S HA 0.089 4.559 4.470 0.001 0.000 0.854 425 S C -0.104 174.534 174.600 0.064 0.000 1.140 425 S CA 0.489 58.708 58.200 0.032 0.000 1.044 425 S CB -1.098 62.118 63.200 0.028 0.000 0.716 425 S HN 2.189 nan 8.310 nan 0.000 0.271 426 S N 0.000 115.748 115.700 0.079 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.270 58.200 0.116 0.000 1.107 426 S CB 0.000 63.234 63.200 0.057 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517