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 1h81_1_C DATA FIRST_RESID 5 DATA SEQUENCE PRVIVVGAGM SGISAAKRLS EAGITDLLIL EATDHIGGRM HKTNFAGINV DATA SEQUENCE ELGANWVEGV NGGKMNPIWP IVNSTLKLRN FRSDFDYLAQ NVYKEDGGVY DATA SEQUENCE DEDYVQKRIE LADSVEEMGE KLSATLHASG RDDMSILAMQ RLNEHQPNGP DATA SEQUENCE ATPVDMVVDY YKFDYEFAEP PRVTSLQNTV PLATFSDFGD DVYFVADQRG DATA SEQUENCE YEAVVYYLAG QYLKTDDKSG KIVDPRLQLN KVVREIKYSP GGVTVKTEDN DATA SEQUENCE SVYSADYVMV SASLGVLQSD LIQFKPKLPT WKVRAIYQFD MAVYTKIFLK DATA SEQUENCE FPRKFWPEGK GREFFLYASS RRGYYGVWQE FEKQYPDANV LLVTVTDEES DATA SEQUENCE RRIEQQSDEQ TKAEIMQVLR KMFPGKDVPD ATDILVPRWW SDRFYKGTFS DATA SEQUENCE NWPVGVNRYE YDQLRAPVGR VYFTGEHTSE HYNGYVHGAY LSGIDSAEIL DATA SEQUENCE INcAQKKMcK YH 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.339 177.300 0.064 0.000 1.155 5 P CA 0.000 63.148 63.100 0.080 0.000 0.800 5 P CB 0.000 31.797 31.700 0.162 0.000 0.726 6 R N 0.998 121.542 120.500 0.075 0.000 2.254 6 R HA 0.627 4.968 4.340 0.001 0.000 0.318 6 R C -1.023 175.326 176.300 0.082 0.000 1.031 6 R CA -0.448 55.684 56.100 0.052 0.000 0.905 6 R CB 0.890 31.213 30.300 0.037 0.000 1.050 6 R HN 0.278 nan 8.270 nan 0.000 0.456 7 V N 6.663 126.602 119.914 0.041 0.000 2.531 7 V HA 0.394 4.515 4.120 0.001 0.000 0.301 7 V C -0.054 176.033 176.094 -0.012 0.000 1.034 7 V CA -0.758 61.563 62.300 0.035 0.000 0.865 7 V CB 1.907 33.709 31.823 -0.034 0.000 0.995 7 V HN 0.720 nan 8.190 nan 0.000 0.424 8 I N 4.485 125.047 120.570 -0.013 0.000 2.331 8 I HA 0.426 4.596 4.170 0.001 0.000 0.292 8 I C -0.517 175.559 176.117 -0.068 0.000 0.998 8 I CA -0.685 60.579 61.300 -0.060 0.000 1.267 8 I CB 1.860 39.823 38.000 -0.063 0.000 1.386 8 I HN 0.284 nan 8.210 nan 0.000 0.476 9 V N 7.517 127.379 119.914 -0.086 0.000 2.347 9 V HA 0.231 4.351 4.120 0.001 0.000 0.280 9 V C 0.103 176.140 176.094 -0.096 0.000 1.021 9 V CA -0.694 61.557 62.300 -0.081 0.000 0.847 9 V CB 1.694 33.476 31.823 -0.069 0.000 0.990 9 V HN 0.374 nan 8.190 nan 0.000 0.444 10 V N 4.914 124.776 119.914 -0.086 0.000 2.389 10 V HA 0.763 4.883 4.120 0.001 0.000 0.264 10 V C 0.760 176.807 176.094 -0.078 0.000 1.049 10 V CA 0.588 62.831 62.300 -0.096 0.000 0.932 10 V CB 0.395 32.170 31.823 -0.080 0.000 1.011 10 V HN 1.277 nan 8.190 nan 0.000 0.475 11 G N 4.249 112.985 108.800 -0.105 0.000 3.055 11 G HA2 0.278 4.239 3.960 0.001 0.000 0.686 11 G HA3 0.278 4.239 3.960 0.001 0.000 0.686 11 G C -0.212 174.650 174.900 -0.065 0.000 1.087 11 G CA -0.319 44.726 45.100 -0.092 0.000 0.779 11 G HN 1.533 nan 8.290 nan 0.000 0.599 12 A N 1.687 124.464 122.820 -0.072 0.000 3.106 12 A HA 0.796 5.117 4.320 0.001 0.000 0.306 12 A C 1.273 178.849 177.584 -0.013 0.000 1.192 12 A CA 1.063 53.068 52.037 -0.053 0.000 0.994 12 A CB -0.194 18.750 19.000 -0.093 0.000 1.107 12 A HN 2.154 nan 8.150 nan 0.000 0.585 13 G N -1.086 107.735 108.800 0.034 0.000 2.535 13 G HA2 0.375 4.335 3.960 0.001 0.000 0.282 13 G HA3 0.375 4.335 3.960 0.001 0.000 0.282 13 G C 0.896 175.835 174.900 0.066 0.000 1.350 13 G CA 0.122 45.275 45.100 0.088 0.000 1.039 13 G HN 0.331 nan 8.290 nan 0.000 0.509 14 M N 0.634 120.282 119.600 0.079 0.000 2.080 14 M HA -0.156 4.325 4.480 0.001 0.000 0.260 14 M C 2.641 178.993 176.300 0.087 0.000 1.068 14 M CA 2.818 58.172 55.300 0.091 0.000 1.109 14 M CB -0.715 31.939 32.600 0.091 0.000 1.342 14 M HN 0.562 nan 8.290 nan 0.000 0.405 15 S N -0.877 114.862 115.700 0.065 0.000 2.387 15 S HA 0.037 4.508 4.470 0.001 0.000 0.226 15 S C 2.192 176.792 174.600 -0.000 0.000 1.026 15 S CA 0.914 59.128 58.200 0.023 0.000 0.972 15 S CB -1.740 61.469 63.200 0.014 0.000 0.814 15 S HN 0.605 nan 8.310 nan 0.000 0.477 16 G N 2.458 111.267 108.800 0.014 0.000 2.421 16 G HA2 -0.081 3.879 3.960 0.001 0.000 0.216 16 G HA3 -0.081 3.879 3.960 0.001 0.000 0.216 16 G C 1.397 176.301 174.900 0.006 0.000 1.171 16 G CA 1.028 46.125 45.100 -0.005 0.000 0.775 16 G HN 0.462 nan 8.290 nan 0.000 0.543 17 I N 1.158 121.752 120.570 0.040 0.000 2.252 17 I HA -0.106 4.064 4.170 0.001 0.000 0.245 17 I C 2.913 179.083 176.117 0.088 0.000 1.102 17 I CA 1.414 62.780 61.300 0.109 0.000 1.385 17 I CB -1.041 37.015 38.000 0.094 0.000 1.064 17 I HN 0.237 nan 8.210 nan 0.000 0.414 18 S N 0.612 116.331 115.700 0.033 0.000 2.368 18 S HA -0.140 4.330 4.470 0.001 0.000 0.225 18 S C 2.239 176.738 174.600 -0.168 0.000 1.030 18 S CA 1.529 59.691 58.200 -0.064 0.000 0.999 18 S CB -0.107 63.017 63.200 -0.127 0.000 0.844 18 S HN 0.478 nan 8.310 nan 0.000 0.459 19 A N 1.379 124.115 122.820 -0.141 0.000 1.877 19 A HA 0.187 4.507 4.320 0.001 0.000 0.216 19 A C 2.468 179.921 177.584 -0.217 0.000 1.186 19 A CA 1.888 53.823 52.037 -0.170 0.000 0.620 19 A CB -1.436 17.487 19.000 -0.128 0.000 0.822 19 A HN 0.741 nan 8.150 nan 0.000 0.443 20 A N -0.141 122.565 122.820 -0.190 0.000 1.940 20 A HA -0.193 4.127 4.320 0.001 0.000 0.219 20 A C 2.118 179.320 177.584 -0.637 0.000 1.176 20 A CA 2.148 54.033 52.037 -0.254 0.000 0.631 20 A CB -0.465 18.511 19.000 -0.041 0.000 0.814 20 A HN 0.606 nan 8.150 nan 0.000 0.446 21 K N -0.688 119.234 120.400 -0.797 0.000 2.057 21 K HA -0.201 4.120 4.320 0.001 0.000 0.207 21 K C 2.240 178.503 176.600 -0.561 0.000 1.049 21 K CA 1.631 57.238 56.287 -1.134 0.000 0.931 21 K CB -0.141 32.051 32.500 -0.514 0.000 0.714 21 K HN 0.263 nan 8.250 nan 0.000 0.440 22 R N 0.995 121.277 120.500 -0.363 0.000 2.115 22 R HA 0.010 4.350 4.340 0.001 0.000 0.230 22 R C 2.018 178.174 176.300 -0.240 0.000 1.111 22 R CA 1.262 57.210 56.100 -0.254 0.000 0.976 22 R CB -0.537 29.633 30.300 -0.216 0.000 0.870 22 R HN 0.288 nan 8.270 nan 0.000 0.445 23 L N -0.329 120.734 121.223 -0.266 0.000 2.017 23 L HA -0.156 4.185 4.340 0.001 0.000 0.208 23 L C 2.473 179.224 176.870 -0.199 0.000 1.073 23 L CA 1.805 56.511 54.840 -0.223 0.000 0.745 23 L CB -0.746 41.184 42.059 -0.216 0.000 0.894 23 L HN 0.316 nan 8.230 nan 0.000 0.432 24 S N -0.051 115.495 115.700 -0.256 0.000 2.370 24 S HA -0.247 4.224 4.470 0.001 0.000 0.226 24 S C 1.783 176.297 174.600 -0.143 0.000 1.033 24 S CA 1.761 59.848 58.200 -0.189 0.000 1.011 24 S CB -0.219 62.821 63.200 -0.266 0.000 0.852 24 S HN 0.467 nan 8.310 nan 0.000 0.457 25 E N 0.518 120.615 120.200 -0.173 0.000 2.268 25 E HA 0.024 4.375 4.350 0.001 0.000 0.195 25 E C 1.963 178.509 176.600 -0.090 0.000 0.995 25 E CA 0.817 57.150 56.400 -0.111 0.000 0.836 25 E CB -0.203 29.432 29.700 -0.109 0.000 0.763 25 E HN 0.651 nan 8.360 nan 0.000 0.491 26 A N 0.169 122.926 122.820 -0.106 0.000 2.251 26 A HA 0.299 4.619 4.320 0.001 0.000 0.209 26 A C 1.693 179.232 177.584 -0.074 0.000 1.187 26 A CA 0.705 52.688 52.037 -0.090 0.000 0.823 26 A CB -0.119 18.814 19.000 -0.112 0.000 0.846 26 A HN 0.311 nan 8.150 nan 0.000 0.486 27 G N -0.788 107.969 108.800 -0.073 0.000 2.157 27 G HA2 -0.166 3.795 3.960 0.001 0.000 0.239 27 G HA3 -0.166 3.795 3.960 0.001 0.000 0.239 27 G C 0.025 174.891 174.900 -0.055 0.000 0.982 27 G CA 0.078 45.146 45.100 -0.052 0.000 0.650 27 G HN 0.417 nan 8.290 nan 0.000 0.527 28 I N 3.112 123.635 120.570 -0.079 0.000 2.256 28 I HA 0.237 4.407 4.170 0.001 0.000 0.294 28 I C 1.619 177.697 176.117 -0.064 0.000 1.127 28 I CA 0.822 62.077 61.300 -0.074 0.000 1.247 28 I CB 0.192 38.126 38.000 -0.110 0.000 1.460 28 I HN 0.263 nan 8.210 nan 0.000 0.511 29 T N -0.702 113.831 114.554 -0.034 0.000 3.040 29 T HA 0.027 4.377 4.350 0.001 0.000 0.250 29 T C 0.698 175.397 174.700 -0.002 0.000 1.058 29 T CA -0.132 61.960 62.100 -0.013 0.000 0.988 29 T CB 0.056 68.926 68.868 0.003 0.000 0.993 29 T HN 0.333 nan 8.240 nan 0.000 0.519 30 D N 1.949 122.345 120.400 -0.007 0.000 2.551 30 D HA 0.281 4.921 4.640 0.001 0.000 0.223 30 D C -0.455 175.843 176.300 -0.004 0.000 1.144 30 D CA -0.317 53.684 54.000 0.002 0.000 1.025 30 D CB -0.689 40.116 40.800 0.008 0.000 1.085 30 D HN 0.463 nan 8.370 nan 0.000 0.506 31 L N 2.161 123.381 121.223 -0.005 0.000 2.334 31 L HA 0.557 4.898 4.340 0.001 0.000 0.273 31 L C -0.589 176.265 176.870 -0.026 0.000 1.013 31 L CA -1.322 53.509 54.840 -0.016 0.000 0.816 31 L CB 2.003 44.059 42.059 -0.006 0.000 1.278 31 L HN 0.108 nan 8.230 nan 0.000 0.431 32 L N 3.610 124.800 121.223 -0.055 0.000 2.446 32 L HA 0.540 4.880 4.340 0.001 0.000 0.268 32 L C -1.042 175.750 176.870 -0.130 0.000 0.975 32 L CA 0.025 54.804 54.840 -0.103 0.000 0.848 32 L CB 1.315 43.287 42.059 -0.145 0.000 1.225 32 L HN 0.386 nan 8.230 nan 0.000 0.410 33 I N 6.170 126.671 120.570 -0.114 0.000 2.297 33 I HA 0.315 4.486 4.170 0.001 0.000 0.291 33 I C -0.588 175.430 176.117 -0.165 0.000 1.033 33 I CA -0.345 60.886 61.300 -0.115 0.000 1.253 33 I CB 0.977 38.938 38.000 -0.066 0.000 1.396 33 I HN 0.456 nan 8.210 nan 0.000 0.476 34 L N 6.448 127.553 121.223 -0.195 0.000 2.265 34 L HA 0.413 4.754 4.340 0.001 0.000 0.289 34 L C -0.117 176.634 176.870 -0.199 0.000 1.033 34 L CA -0.471 54.233 54.840 -0.227 0.000 0.814 34 L CB 1.196 43.087 42.059 -0.280 0.000 1.203 34 L HN 0.520 nan 8.230 nan 0.000 0.423 35 E N 2.519 122.597 120.200 -0.203 0.000 2.158 35 E HA 0.476 4.827 4.350 0.001 0.000 0.271 35 E C 0.402 176.811 176.600 -0.318 0.000 0.911 35 E CA -0.300 55.957 56.400 -0.238 0.000 0.767 35 E CB 2.037 31.611 29.700 -0.210 0.000 1.120 35 E HN 0.557 nan 8.360 nan 0.000 0.405 36 A N 3.594 126.136 122.820 -0.463 0.000 1.933 36 A HA -0.031 4.290 4.320 0.001 0.000 0.218 36 A C 1.313 178.508 177.584 -0.649 0.000 1.175 36 A CA 1.782 53.383 52.037 -0.727 0.000 0.628 36 A CB -1.063 17.077 19.000 -1.432 0.000 0.814 36 A HN 0.748 nan 8.150 nan 0.000 0.444 37 T N -1.821 112.410 114.554 -0.538 0.000 2.814 37 T HA 0.345 4.695 4.350 0.001 0.000 0.284 37 T C 0.320 174.850 174.700 -0.284 0.000 0.998 37 T CA 0.164 62.044 62.100 -0.367 0.000 0.935 37 T CB 0.678 69.240 68.868 -0.510 0.000 1.167 37 T HN 0.332 nan 8.240 nan 0.000 0.545 38 D N -0.522 119.791 120.400 -0.145 0.000 2.352 38 D HA 0.072 4.712 4.640 0.001 0.000 0.236 38 D C 0.587 176.913 176.300 0.044 0.000 1.148 38 D CA -0.266 53.727 54.000 -0.013 0.000 0.844 38 D CB -0.718 40.140 40.800 0.097 0.000 0.933 38 D HN 0.867 nan 8.370 nan 0.000 0.507 39 H N -1.751 117.326 119.070 0.011 0.000 2.950 39 H HA 0.350 4.906 4.556 0.001 0.000 0.307 39 H C -0.564 174.764 175.328 -0.000 0.000 1.403 39 H CA -1.142 54.939 56.048 0.056 0.000 1.145 39 H CB 0.403 30.249 29.762 0.141 0.000 1.844 39 H HN 0.015 nan 8.280 nan 0.000 0.515 40 I N -2.284 118.337 120.570 0.085 0.000 2.918 40 I HA 0.685 4.855 4.170 0.001 0.000 0.316 40 I C 1.017 177.206 176.117 0.120 0.000 1.001 40 I CA 0.097 61.363 61.300 -0.057 0.000 1.142 40 I CB 1.589 39.413 38.000 -0.294 0.000 1.356 40 I HN 0.974 nan 8.210 nan 0.000 0.524 41 G N 1.192 110.040 108.800 0.079 0.000 2.339 41 G HA2 -0.017 3.944 3.960 0.001 0.000 0.209 41 G HA3 -0.017 3.944 3.960 0.001 0.000 0.209 41 G C 0.994 176.033 174.900 0.233 0.000 1.015 41 G CA 0.170 45.379 45.100 0.182 0.000 0.635 41 G HN 2.014 nan 8.290 nan 0.000 0.499 42 G N 0.690 109.670 108.800 0.301 0.000 2.665 42 G HA2 -0.425 3.535 3.960 0.001 0.000 0.326 42 G HA3 -0.425 3.535 3.960 0.001 0.000 0.326 42 G C 1.005 176.116 174.900 0.351 0.000 1.231 42 G CA 1.598 46.950 45.100 0.420 0.000 0.992 42 G HN 1.177 nan 8.290 nan 0.000 0.549 43 R N 0.406 121.030 120.500 0.207 0.000 2.339 43 R HA 0.206 4.546 4.340 0.001 0.000 0.199 43 R C 0.868 177.187 176.300 0.031 0.000 1.018 43 R CA 0.580 56.636 56.100 -0.074 0.000 1.036 43 R CB -0.142 30.011 30.300 -0.245 0.000 0.899 43 R HN 0.439 nan 8.270 nan 0.000 0.473 44 M N 0.326 120.004 119.600 0.129 0.000 2.103 44 M HA 0.185 4.665 4.480 0.001 0.000 0.350 44 M C -1.060 175.425 176.300 0.307 0.000 1.100 44 M CA -0.339 55.025 55.300 0.106 0.000 1.042 44 M CB 1.289 33.855 32.600 -0.057 0.000 1.368 44 M HN -0.088 nan 8.290 nan 0.000 0.404 45 H N 2.901 122.093 119.070 0.203 0.000 3.083 45 H HA 0.381 4.937 4.556 0.001 0.000 0.339 45 H C -1.346 174.061 175.328 0.131 0.000 1.020 45 H CA -0.934 55.218 56.048 0.173 0.000 1.360 45 H CB 1.414 31.303 29.762 0.212 0.000 1.811 45 H HN 0.595 nan 8.280 nan 0.000 0.493 46 K N 2.554 122.698 120.400 -0.427 0.000 2.132 46 K HA 0.709 5.030 4.320 0.001 0.000 0.241 46 K C -0.819 175.497 176.600 -0.473 0.000 1.000 46 K CA -0.754 55.343 56.287 -0.317 0.000 0.911 46 K CB 1.993 34.377 32.500 -0.192 0.000 1.093 46 K HN 0.437 nan 8.250 nan 0.000 0.460 47 T N -0.122 114.257 114.554 -0.290 0.000 2.885 47 T HA 0.146 4.497 4.350 0.001 0.000 0.322 47 T C -1.660 172.934 174.700 -0.177 0.000 1.387 47 T CA -0.896 61.067 62.100 -0.228 0.000 1.041 47 T CB 1.203 69.971 68.868 -0.166 0.000 1.287 47 T HN 0.756 nan 8.240 nan 0.000 0.491 48 N N 2.965 121.592 118.700 -0.121 0.000 2.470 48 N HA 0.320 5.060 4.740 0.001 0.000 0.268 48 N C -1.406 174.083 175.510 -0.035 0.000 1.136 48 N CA 0.124 53.113 53.050 -0.103 0.000 0.961 48 N CB 0.403 38.838 38.487 -0.086 0.000 1.067 48 N HN 0.511 nan 8.380 nan 0.000 0.468 49 F N 3.184 122.978 119.950 -0.260 0.000 2.573 49 F HA 0.470 4.998 4.527 0.001 0.000 0.316 49 F C 0.068 175.744 175.800 -0.206 0.000 1.148 49 F CA -0.254 57.604 58.000 -0.237 0.000 0.940 49 F CB 1.027 39.824 39.000 -0.339 0.000 1.214 49 F HN 0.662 nan 8.300 nan 0.000 0.448 50 A N 3.930 126.282 122.820 -0.780 0.000 2.687 50 A HA 0.156 4.476 4.320 0.001 0.000 0.299 50 A C 1.576 178.975 177.584 -0.309 0.000 1.497 50 A CA 1.445 53.107 52.037 -0.625 0.000 0.751 50 A CB -2.228 16.309 19.000 -0.771 0.000 1.048 50 A HN 2.777 nan 8.150 nan 0.000 0.464 51 G N -1.984 106.680 108.800 -0.228 0.000 2.203 51 G HA2 -0.115 3.845 3.960 0.001 0.000 0.263 51 G HA3 -0.115 3.845 3.960 0.001 0.000 0.263 51 G C 0.284 175.099 174.900 -0.142 0.000 1.012 51 G CA 1.170 46.181 45.100 -0.149 0.000 0.749 51 G HN 2.529 nan 8.290 nan 0.000 0.512 52 I N -4.407 116.050 120.570 -0.188 0.000 2.969 52 I HA 0.652 4.822 4.170 0.001 0.000 0.307 52 I C -0.806 175.165 176.117 -0.244 0.000 1.149 52 I CA -1.699 59.470 61.300 -0.218 0.000 1.008 52 I CB 1.858 39.639 38.000 -0.364 0.000 1.232 52 I HN -0.168 nan 8.210 nan 0.000 0.435 53 N N 3.054 121.620 118.700 -0.223 0.000 2.434 53 N HA 0.588 5.329 4.740 0.001 0.000 0.272 53 N C -0.569 174.759 175.510 -0.303 0.000 1.040 53 N CA -0.306 52.615 53.050 -0.214 0.000 0.956 53 N CB 1.998 40.405 38.487 -0.134 0.000 1.108 53 N HN 0.623 nan 8.380 nan 0.000 0.481 54 V N -0.861 118.830 119.914 -0.372 0.000 3.046 54 V HA 0.582 4.702 4.120 0.001 0.000 0.316 54 V C -0.104 175.825 176.094 -0.275 0.000 1.104 54 V CA -0.984 61.042 62.300 -0.457 0.000 1.006 54 V CB 2.303 33.499 31.823 -1.045 0.000 1.058 54 V HN 0.317 nan 8.190 nan 0.000 0.440 55 E N 1.955 122.111 120.200 -0.074 0.000 2.194 55 E HA 0.382 4.732 4.350 0.001 0.000 0.284 55 E C 0.531 177.279 176.600 0.247 0.000 1.035 55 E CA -0.120 56.334 56.400 0.091 0.000 0.836 55 E CB 1.758 31.543 29.700 0.141 0.000 1.070 55 E HN 0.717 nan 8.360 nan 0.000 0.401 56 L N 1.427 122.805 121.223 0.259 0.000 2.313 56 L HA 0.035 4.376 4.340 0.001 0.000 0.214 56 L C 1.412 178.727 176.870 0.741 0.000 1.119 56 L CA 0.980 56.097 54.840 0.463 0.000 0.809 56 L CB 0.023 42.310 42.059 0.379 0.000 0.933 56 L HN 0.508 nan 8.230 nan 0.000 0.449 57 G N -1.077 108.054 108.800 0.551 0.000 3.407 57 G HA2 0.561 4.521 3.960 0.001 0.000 0.187 57 G HA3 0.561 4.521 3.960 0.001 0.000 0.187 57 G C -0.457 174.585 174.900 0.238 0.000 1.262 57 G CA 0.143 45.413 45.100 0.283 0.000 0.808 57 G HN 0.131 nan 8.290 nan 0.000 0.687 58 A N -0.574 122.324 122.820 0.130 0.000 2.587 58 A HA 0.313 4.634 4.320 0.001 0.000 0.233 58 A C 0.639 178.465 177.584 0.404 0.000 1.049 58 A CA 1.270 53.436 52.037 0.214 0.000 0.754 58 A CB -0.081 18.939 19.000 0.034 0.000 0.977 58 A HN 0.751 nan 8.150 nan 0.000 0.509 59 N N -0.384 118.560 118.700 0.407 0.000 2.028 59 N HA 0.114 4.854 4.740 0.001 0.000 0.230 59 N C -0.589 174.704 175.510 -0.361 0.000 1.354 59 N CA -0.306 52.692 53.050 -0.086 0.000 0.855 59 N CB 0.334 38.543 38.487 -0.463 0.000 1.111 59 N HN 0.751 nan 8.380 nan 0.000 0.480 60 W N 1.543 122.915 121.300 0.120 0.000 2.706 60 W HA 0.537 5.197 4.660 0.001 0.000 0.346 60 W C -0.690 175.973 176.519 0.239 0.000 1.071 60 W CA -0.530 56.891 57.345 0.127 0.000 1.206 60 W CB 1.468 31.076 29.460 0.246 0.000 1.413 60 W HN -0.411 nan 8.180 nan 0.000 0.542 61 V N 2.564 122.758 119.914 0.466 0.000 2.348 61 V HA 0.117 4.237 4.120 0.001 0.000 0.270 61 V C 0.042 176.384 176.094 0.414 0.000 1.037 61 V CA -0.416 62.163 62.300 0.464 0.000 0.872 61 V CB 0.742 32.845 31.823 0.466 0.000 1.002 61 V HN 0.353 nan 8.190 nan 0.000 0.464 62 E N 3.636 124.056 120.200 0.366 0.000 2.146 62 E HA 0.569 4.920 4.350 0.001 0.000 0.282 62 E C 0.516 177.111 176.600 -0.008 0.000 0.989 62 E CA -0.082 56.462 56.400 0.241 0.000 0.799 62 E CB 1.653 31.477 29.700 0.207 0.000 1.088 62 E HN 0.965 nan 8.360 nan 0.000 0.397 63 G N 1.641 110.518 108.800 0.127 0.000 2.780 63 G HA2 -0.103 3.857 3.960 0.001 0.000 0.364 63 G HA3 -0.103 3.857 3.960 0.001 0.000 0.364 63 G C -0.671 174.212 174.900 -0.028 0.000 1.045 63 G CA -0.595 44.542 45.100 0.061 0.000 1.202 63 G HN 0.359 nan 8.290 nan 0.000 0.534 64 V N 2.562 122.469 119.914 -0.012 0.000 3.114 64 V HA 0.758 4.878 4.120 0.001 0.000 0.308 64 V C 0.729 176.769 176.094 -0.090 0.000 1.168 64 V CA -0.256 61.906 62.300 -0.230 0.000 1.015 64 V CB 2.061 33.531 31.823 -0.588 0.000 1.050 64 V HN 1.004 nan 8.190 nan 0.000 0.433 65 N N 0.216 118.840 118.700 -0.126 0.000 2.948 65 N HA -0.133 4.608 4.740 0.001 0.000 0.239 65 N C 0.408 175.931 175.510 0.022 0.000 0.954 65 N CA 1.303 54.337 53.050 -0.027 0.000 0.941 65 N CB -1.022 37.473 38.487 0.013 0.000 1.101 65 N HN 1.089 nan 8.380 nan 0.000 0.579 66 G N -0.676 108.150 108.800 0.043 0.000 2.494 66 G HA2 0.499 4.460 3.960 0.001 0.000 0.270 66 G HA3 0.499 4.460 3.960 0.001 0.000 0.270 66 G C 1.177 176.111 174.900 0.057 0.000 1.423 66 G CA 0.174 45.308 45.100 0.058 0.000 1.055 66 G HN 0.166 nan 8.290 nan 0.000 0.536 67 G N -1.345 107.480 108.800 0.041 0.000 2.484 67 G HA2 0.105 4.066 3.960 0.001 0.000 0.218 67 G HA3 0.105 4.066 3.960 0.001 0.000 0.218 67 G C 0.749 175.685 174.900 0.061 0.000 1.130 67 G CA 0.526 45.648 45.100 0.035 0.000 0.784 67 G HN 0.440 nan 8.290 nan 0.000 0.543 68 K N -0.752 119.711 120.400 0.106 0.000 2.385 68 K HA 0.503 4.823 4.320 0.001 0.000 0.248 68 K C -1.211 175.569 176.600 0.300 0.000 0.955 68 K CA -1.114 55.282 56.287 0.182 0.000 0.816 68 K CB 2.216 34.820 32.500 0.174 0.000 1.250 68 K HN 0.019 nan 8.250 nan 0.000 0.434 69 M N 2.858 122.590 119.600 0.221 0.000 2.146 69 M HA 0.113 4.593 4.480 0.001 0.000 0.352 69 M C -0.319 175.913 176.300 -0.114 0.000 1.343 69 M CA -0.264 55.098 55.300 0.104 0.000 1.115 69 M CB 0.186 32.831 32.600 0.075 0.000 1.657 69 M HN 0.390 nan 8.290 nan 0.000 0.471 70 N N 7.303 125.734 118.700 -0.449 0.000 2.452 70 N HA 0.117 4.857 4.740 0.001 0.000 0.266 70 N C -1.998 173.213 175.510 -0.498 0.000 1.209 70 N CA -1.459 50.871 53.050 -1.201 0.000 0.929 70 N CB 0.953 38.920 38.487 -0.867 0.000 1.063 70 N HN 0.465 nan 8.380 nan 0.000 0.472 71 P HA -0.129 nan 4.420 nan 0.000 0.221 71 P C 1.332 178.464 177.300 -0.279 0.000 1.145 71 P CA 0.785 63.748 63.100 -0.227 0.000 0.795 71 P CB 0.387 32.030 31.700 -0.095 0.000 0.775 72 I N -1.789 118.625 120.570 -0.260 0.000 2.617 72 I HA -0.116 4.055 4.170 0.001 0.000 0.256 72 I C 2.522 178.618 176.117 -0.036 0.000 1.167 72 I CA 0.530 61.737 61.300 -0.154 0.000 1.469 72 I CB -1.549 36.464 38.000 0.021 0.000 1.098 72 I HN 0.113 nan 8.210 nan 0.000 0.436 73 W N 3.740 124.913 121.300 -0.211 0.000 2.333 73 W HA -0.192 4.468 4.660 0.001 0.000 0.316 73 W C -0.736 175.682 176.519 -0.170 0.000 1.215 73 W CA 1.712 58.946 57.345 -0.185 0.000 1.278 73 W CB -1.320 28.013 29.460 -0.212 0.000 1.154 73 W HN 0.067 nan 8.180 nan 0.000 0.486 74 P HA -0.190 nan 4.420 nan 0.000 0.216 74 P C 1.614 178.678 177.300 -0.394 0.000 1.150 74 P CA 2.084 64.950 63.100 -0.389 0.000 0.837 74 P CB -0.331 31.262 31.700 -0.178 0.000 0.786 75 I N -1.465 118.920 120.570 -0.309 0.000 2.202 75 I HA -0.189 3.982 4.170 0.001 0.000 0.242 75 I C 2.234 178.130 176.117 -0.368 0.000 1.091 75 I CA 1.272 62.378 61.300 -0.323 0.000 1.368 75 I CB -0.833 37.034 38.000 -0.221 0.000 1.058 75 I HN -0.176 nan 8.210 nan 0.000 0.410 76 V N 0.995 120.696 119.914 -0.356 0.000 2.307 76 V HA -0.260 3.860 4.120 0.001 0.000 0.245 76 V C 2.101 177.853 176.094 -0.569 0.000 1.045 76 V CA 2.255 64.332 62.300 -0.372 0.000 1.024 76 V CB -0.725 30.931 31.823 -0.278 0.000 0.651 76 V HN 0.434 nan 8.190 nan 0.000 0.449 77 N N -1.201 116.911 118.700 -0.981 0.000 2.424 77 N HA -0.029 4.712 4.740 0.001 0.000 0.178 77 N C 1.645 176.800 175.510 -0.592 0.000 1.060 77 N CA 1.143 53.586 53.050 -1.012 0.000 0.901 77 N CB 0.380 37.823 38.487 -1.741 0.000 0.979 77 N HN 0.383 nan 8.380 nan 0.000 0.451 78 S N -2.392 113.008 115.700 -0.500 0.000 3.186 78 S HA 0.108 4.578 4.470 0.001 0.000 0.253 78 S C 1.553 175.991 174.600 -0.271 0.000 1.071 78 S CA 0.131 58.136 58.200 -0.325 0.000 0.796 78 S CB -0.124 62.911 63.200 -0.274 0.000 0.818 78 S HN 0.217 nan 8.310 nan 0.000 0.498 79 T N 3.394 117.760 114.554 -0.312 0.000 2.674 79 T HA 0.087 4.438 4.350 0.001 0.000 0.265 79 T C 1.616 176.126 174.700 -0.316 0.000 1.039 79 T CA 1.197 63.104 62.100 -0.321 0.000 1.150 79 T CB -0.353 68.221 68.868 -0.491 0.000 0.864 79 T HN 0.186 nan 8.240 nan 0.000 0.427 80 L N -0.213 120.804 121.223 -0.343 0.000 2.416 80 L HA 0.270 4.611 4.340 0.001 0.000 0.216 80 L C 0.613 177.367 176.870 -0.194 0.000 1.098 80 L CA 0.112 54.803 54.840 -0.249 0.000 0.840 80 L CB -0.304 41.622 42.059 -0.221 0.000 0.981 80 L HN 0.191 nan 8.230 nan 0.000 0.462 81 K N 1.407 121.665 120.400 -0.237 0.000 3.244 81 K HA -0.159 4.162 4.320 0.001 0.000 0.270 81 K C -0.406 176.095 176.600 -0.165 0.000 1.016 81 K CA 0.205 56.367 56.287 -0.209 0.000 0.754 81 K CB -1.640 30.768 32.500 -0.153 0.000 1.326 81 K HN 0.266 nan 8.250 nan 0.000 0.465 82 L N 0.742 121.859 121.223 -0.177 0.000 2.426 82 L HA 0.179 4.520 4.340 0.001 0.000 0.271 82 L C 1.154 177.967 176.870 -0.095 0.000 1.169 82 L CA -0.363 54.411 54.840 -0.109 0.000 0.836 82 L CB 0.571 42.572 42.059 -0.096 0.000 1.112 82 L HN 0.251 nan 8.230 nan 0.000 0.465 83 R N 3.006 123.482 120.500 -0.041 0.000 2.484 83 R HA 0.078 4.419 4.340 0.001 0.000 0.293 83 R C -0.657 175.654 176.300 0.018 0.000 1.023 83 R CA 0.122 56.203 56.100 -0.032 0.000 1.037 83 R CB 0.170 30.496 30.300 0.043 0.000 0.951 83 R HN 0.870 nan 8.270 nan 0.000 0.418 84 N N 2.127 120.776 118.700 -0.086 0.000 2.732 84 N HA 0.448 5.188 4.740 0.001 0.000 0.259 84 N C -1.736 173.711 175.510 -0.106 0.000 1.402 84 N CA -0.834 52.289 53.050 0.121 0.000 0.829 84 N CB 1.071 39.712 38.487 0.257 0.000 1.495 84 N HN 0.259 nan 8.380 nan 0.000 0.511 85 F N -0.922 119.226 119.950 0.330 0.000 2.574 85 F HA 0.480 5.007 4.527 0.001 0.000 0.313 85 F C 0.262 176.163 175.800 0.169 0.000 1.130 85 F CA -0.780 57.364 58.000 0.239 0.000 0.936 85 F CB 2.161 41.226 39.000 0.109 0.000 1.219 85 F HN 0.453 nan 8.300 nan 0.000 0.445 86 R N 1.563 122.102 120.500 0.065 0.000 2.442 86 R HA 0.412 4.753 4.340 0.001 0.000 0.291 86 R C -0.479 175.794 176.300 -0.045 0.000 1.069 86 R CA 0.039 55.837 56.100 -0.502 0.000 1.022 86 R CB 0.613 30.577 30.300 -0.559 0.000 0.976 86 R HN 0.712 nan 8.270 nan 0.000 0.443 87 S N 2.835 118.570 115.700 0.058 0.000 2.545 87 S HA 0.061 4.532 4.470 0.001 0.000 0.275 87 S C -0.566 173.910 174.600 -0.206 0.000 1.299 87 S CA -0.522 57.742 58.200 0.106 0.000 1.048 87 S CB 1.148 64.482 63.200 0.224 0.000 0.938 87 S HN 0.546 nan 8.310 nan 0.000 0.496 88 D N 1.385 121.675 120.400 -0.182 0.000 2.425 88 D HA 0.288 4.929 4.640 0.001 0.000 0.240 88 D C -0.668 175.503 176.300 -0.215 0.000 1.080 88 D CA -0.642 53.291 54.000 -0.111 0.000 0.836 88 D CB 0.528 41.379 40.800 0.085 0.000 1.125 88 D HN 0.400 nan 8.370 nan 0.000 0.525 89 F N 1.364 121.361 119.950 0.078 0.000 2.693 89 F HA 0.132 4.659 4.527 0.001 0.000 0.303 89 F C 1.631 177.430 175.800 -0.002 0.000 1.097 89 F CA -0.449 57.551 58.000 -0.001 0.000 1.330 89 F CB 0.528 39.465 39.000 -0.106 0.000 1.067 89 F HN 0.244 nan 8.300 nan 0.000 0.565 90 D N -0.513 119.960 120.400 0.122 0.000 2.309 90 D HA -0.177 4.464 4.640 0.001 0.000 0.212 90 D C 1.188 177.307 176.300 -0.302 0.000 0.968 90 D CA 1.387 55.319 54.000 -0.113 0.000 0.882 90 D CB -0.204 40.447 40.800 -0.249 0.000 0.918 90 D HN 0.351 nan 8.370 nan 0.000 0.503 91 Y N 0.071 120.400 120.300 0.048 0.000 2.468 91 Y HA 0.240 4.790 4.550 0.001 0.000 0.268 91 Y C 1.980 177.906 175.900 0.044 0.000 1.177 91 Y CA -0.252 57.874 58.100 0.044 0.000 1.265 91 Y CB -0.174 38.320 38.460 0.056 0.000 1.103 91 Y HN -0.111 nan 8.280 nan 0.000 0.522 92 L N -0.355 120.940 121.223 0.120 0.000 2.129 92 L HA -0.309 4.032 4.340 0.001 0.000 0.212 92 L C 2.544 179.429 176.870 0.026 0.000 1.087 92 L CA 1.324 56.196 54.840 0.054 0.000 0.757 92 L CB -0.564 41.420 42.059 -0.124 0.000 0.896 92 L HN 0.339 nan 8.230 nan 0.000 0.434 93 A N -0.756 122.057 122.820 -0.010 0.000 2.070 93 A HA -0.216 4.105 4.320 0.001 0.000 0.220 93 A C 2.094 179.691 177.584 0.022 0.000 1.159 93 A CA 1.327 53.351 52.037 -0.023 0.000 0.656 93 A CB -0.313 18.660 19.000 -0.045 0.000 0.800 93 A HN 0.541 nan 8.150 nan 0.000 0.453 94 Q N -0.627 119.210 119.800 0.061 0.000 2.360 94 Q HA 0.104 4.445 4.340 0.001 0.000 0.202 94 Q C -0.188 175.831 176.000 0.033 0.000 0.915 94 Q CA 0.113 55.954 55.803 0.063 0.000 0.943 94 Q CB 0.265 29.076 28.738 0.123 0.000 1.064 94 Q HN 0.555 nan 8.270 nan 0.000 0.511 95 N N 0.232 118.975 118.700 0.073 0.000 2.571 95 N HA 0.147 4.887 4.740 0.001 0.000 0.298 95 N C -1.371 174.250 175.510 0.185 0.000 1.671 95 N CA 0.122 53.240 53.050 0.114 0.000 0.900 95 N CB 1.907 40.568 38.487 0.291 0.000 1.365 95 N HN -0.112 nan 8.380 nan 0.000 0.493 96 V N 2.078 122.033 119.914 0.068 0.000 2.328 96 V HA 0.338 4.458 4.120 0.001 0.000 0.278 96 V C -0.548 175.650 176.094 0.172 0.000 1.021 96 V CA -0.574 61.854 62.300 0.213 0.000 0.838 96 V CB 0.266 32.185 31.823 0.160 0.000 0.999 96 V HN 0.141 nan 8.190 nan 0.000 0.447 97 Y N 3.390 123.837 120.300 0.246 0.000 2.299 97 Y HA 0.398 4.948 4.550 0.001 0.000 0.326 97 Y C 0.930 176.908 175.900 0.130 0.000 1.164 97 Y CA -0.583 57.593 58.100 0.126 0.000 1.234 97 Y CB 0.856 39.353 38.460 0.062 0.000 1.219 97 Y HN 0.481 nan 8.280 nan 0.000 0.497 98 K N 1.547 121.920 120.400 -0.046 0.000 2.202 98 K HA 0.003 4.324 4.320 0.001 0.000 0.264 98 K C 1.102 177.719 176.600 0.027 0.000 1.010 98 K CA -0.359 55.814 56.287 -0.190 0.000 0.940 98 K CB 0.762 32.969 32.500 -0.488 0.000 0.983 98 K HN 0.792 nan 8.250 nan 0.000 0.475 99 E N 1.483 121.652 120.200 -0.051 0.000 2.130 99 E HA -0.255 4.095 4.350 0.001 0.000 0.196 99 E C 0.177 176.905 176.600 0.213 0.000 0.998 99 E CA 1.534 57.921 56.400 -0.022 0.000 0.806 99 E CB 0.233 29.910 29.700 -0.039 0.000 0.738 99 E HN 0.448 nan 8.360 nan 0.000 0.459 100 D N -0.799 119.656 120.400 0.091 0.000 2.368 100 D HA 0.201 4.842 4.640 0.001 0.000 0.218 100 D C 0.046 176.370 176.300 0.041 0.000 1.112 100 D CA 0.775 54.819 54.000 0.074 0.000 0.834 100 D CB 1.035 41.856 40.800 0.035 0.000 0.953 100 D HN 0.257 nan 8.370 nan 0.000 0.505 101 G N -0.219 108.608 108.800 0.046 0.000 2.653 101 G HA2 0.423 4.384 3.960 0.001 0.000 0.656 101 G HA3 0.423 4.384 3.960 0.001 0.000 0.656 101 G C 0.103 174.981 174.900 -0.037 0.000 1.419 101 G CA -0.338 44.767 45.100 0.008 0.000 0.862 101 G HN 0.478 nan 8.290 nan 0.000 0.639 102 G N -1.059 107.740 108.800 -0.002 0.000 2.755 102 G HA2 0.399 4.359 3.960 0.001 0.000 0.686 102 G HA3 0.399 4.359 3.960 0.001 0.000 0.686 102 G C 0.424 175.156 174.900 -0.278 0.000 1.427 102 G CA 0.184 45.226 45.100 -0.097 0.000 0.873 102 G HN 2.380 nan 8.290 nan 0.000 0.580 103 V N -0.589 119.070 119.914 -0.426 0.000 2.904 103 V HA 0.747 4.867 4.120 0.001 0.000 0.305 103 V C 0.767 176.723 176.094 -0.230 0.000 1.067 103 V CA -1.121 60.900 62.300 -0.465 0.000 1.044 103 V CB 0.996 32.517 31.823 -0.503 0.000 1.050 103 V HN 0.839 nan 8.190 nan 0.000 0.475 104 Y N 0.514 120.757 120.300 -0.094 0.000 2.281 104 Y HA 0.292 4.843 4.550 0.001 0.000 0.337 104 Y C 0.928 176.837 175.900 0.015 0.000 1.304 104 Y CA 0.524 58.632 58.100 0.014 0.000 1.465 104 Y CB 0.481 39.006 38.460 0.109 0.000 1.350 104 Y HN 0.945 nan 8.280 nan 0.000 0.575 105 D N 0.741 121.300 120.400 0.265 0.000 2.458 105 D HA -0.059 4.582 4.640 0.001 0.000 0.243 105 D C 1.036 177.443 176.300 0.177 0.000 1.146 105 D CA 0.226 54.327 54.000 0.168 0.000 0.877 105 D CB 0.688 41.575 40.800 0.145 0.000 1.176 105 D HN 0.654 nan 8.370 nan 0.000 0.461 106 E N 2.468 122.725 120.200 0.095 0.000 2.085 106 E HA -0.275 4.075 4.350 0.001 0.000 0.194 106 E C 0.779 177.409 176.600 0.051 0.000 0.994 106 E CA 1.441 57.876 56.400 0.059 0.000 0.801 106 E CB 0.154 29.878 29.700 0.039 0.000 0.743 106 E HN 0.602 nan 8.360 nan 0.000 0.453 107 D N -0.460 119.983 120.400 0.071 0.000 2.144 107 D HA -0.171 4.470 4.640 0.001 0.000 0.199 107 D C 1.606 177.962 176.300 0.093 0.000 0.984 107 D CA 0.848 54.885 54.000 0.062 0.000 0.834 107 D CB -0.409 40.429 40.800 0.062 0.000 0.955 107 D HN 0.318 nan 8.370 nan 0.000 0.465 108 Y N 1.716 122.018 120.300 0.003 0.000 2.133 108 Y HA -0.193 4.358 4.550 0.001 0.000 0.287 108 Y C 2.171 178.048 175.900 -0.039 0.000 1.134 108 Y CA 0.913 59.008 58.100 -0.009 0.000 1.133 108 Y CB -0.632 37.838 38.460 0.017 0.000 0.987 108 Y HN -0.195 nan 8.280 nan 0.000 0.502 109 V N 0.735 120.524 119.914 -0.208 0.000 2.287 109 V HA -0.345 3.775 4.120 0.001 0.000 0.248 109 V C 2.414 178.351 176.094 -0.260 0.000 1.053 109 V CA 2.294 64.379 62.300 -0.358 0.000 1.027 109 V CB -0.995 30.730 31.823 -0.165 0.000 0.646 109 V HN 0.376 nan 8.190 nan 0.000 0.447 110 Q N 0.426 120.143 119.800 -0.138 0.000 2.152 110 Q HA -0.234 4.106 4.340 0.001 0.000 0.206 110 Q C 2.103 178.034 176.000 -0.115 0.000 0.985 110 Q CA 1.887 57.625 55.803 -0.107 0.000 0.863 110 Q CB -0.327 28.372 28.738 -0.065 0.000 0.904 110 Q HN 0.620 nan 8.270 nan 0.000 0.422 111 K N -0.717 119.607 120.400 -0.127 0.000 2.057 111 K HA -0.064 4.256 4.320 0.001 0.000 0.206 111 K C 2.115 178.631 176.600 -0.140 0.000 1.050 111 K CA 1.046 57.273 56.287 -0.101 0.000 0.935 111 K CB -0.050 32.419 32.500 -0.052 0.000 0.715 111 K HN 0.110 nan 8.250 nan 0.000 0.439 112 R N 0.901 121.243 120.500 -0.264 0.000 2.081 112 R HA -0.048 4.293 4.340 0.001 0.000 0.235 112 R C 2.295 178.505 176.300 -0.150 0.000 1.131 112 R CA 1.119 57.069 56.100 -0.250 0.000 0.960 112 R CB -0.595 29.447 30.300 -0.431 0.000 0.856 112 R HN 0.282 nan 8.270 nan 0.000 0.436 113 I N 0.973 121.453 120.570 -0.150 0.000 2.179 113 I HA -0.253 3.918 4.170 0.001 0.000 0.242 113 I C 2.109 178.188 176.117 -0.064 0.000 1.088 113 I CA 1.439 62.682 61.300 -0.094 0.000 1.357 113 I CB -0.332 37.607 38.000 -0.101 0.000 1.051 113 I HN 0.204 nan 8.210 nan 0.000 0.409 114 E N 0.779 120.938 120.200 -0.068 0.000 2.118 114 E HA -0.210 4.140 4.350 0.001 0.000 0.195 114 E C 2.316 178.899 176.600 -0.029 0.000 0.992 114 E CA 1.123 57.496 56.400 -0.045 0.000 0.804 114 E CB -0.104 29.571 29.700 -0.042 0.000 0.741 114 E HN 0.465 nan 8.360 nan 0.000 0.458 115 L N 0.404 121.608 121.223 -0.032 0.000 2.046 115 L HA -0.170 4.170 4.340 0.001 0.000 0.208 115 L C 2.572 179.446 176.870 0.007 0.000 1.077 115 L CA 0.933 55.767 54.840 -0.010 0.000 0.747 115 L CB -0.455 41.596 42.059 -0.013 0.000 0.896 115 L HN 0.161 nan 8.230 nan 0.000 0.432 116 A N -0.115 122.708 122.820 0.004 0.000 1.902 116 A HA -0.229 4.091 4.320 0.001 0.000 0.217 116 A C 1.894 179.506 177.584 0.048 0.000 1.181 116 A CA 2.018 54.081 52.037 0.043 0.000 0.623 116 A CB -0.472 18.552 19.000 0.040 0.000 0.818 116 A HN 0.345 nan 8.150 nan 0.000 0.443 117 D N -0.066 120.339 120.400 0.008 0.000 2.117 117 D HA -0.112 4.528 4.640 0.001 0.000 0.198 117 D C 2.521 178.830 176.300 0.014 0.000 0.982 117 D CA 1.777 55.776 54.000 -0.002 0.000 0.828 117 D CB -0.384 40.400 40.800 -0.027 0.000 0.967 117 D HN 0.578 nan 8.370 nan 0.000 0.464 118 S N 0.042 115.749 115.700 0.011 0.000 2.383 118 S HA -0.110 4.361 4.470 0.001 0.000 0.227 118 S C 2.223 176.840 174.600 0.028 0.000 1.026 118 S CA 0.814 59.022 58.200 0.014 0.000 0.981 118 S CB -0.680 62.526 63.200 0.010 0.000 0.818 118 S HN 0.079 nan 8.310 nan 0.000 0.472 119 V N 2.395 122.332 119.914 0.039 0.000 2.343 119 V HA -0.176 3.944 4.120 0.001 0.000 0.247 119 V C 2.839 178.969 176.094 0.060 0.000 1.051 119 V CA 2.259 64.586 62.300 0.045 0.000 1.036 119 V CB -0.879 30.974 31.823 0.051 0.000 0.654 119 V HN 0.659 nan 8.190 nan 0.000 0.451 120 E N 0.159 120.419 120.200 0.100 0.000 2.077 120 E HA -0.261 4.090 4.350 0.001 0.000 0.193 120 E C 2.142 178.784 176.600 0.069 0.000 0.989 120 E CA 1.615 58.096 56.400 0.135 0.000 0.800 120 E CB -0.085 29.725 29.700 0.184 0.000 0.746 120 E HN 0.732 nan 8.360 nan 0.000 0.452 121 E N 0.037 120.261 120.200 0.040 0.000 2.110 121 E HA -0.207 4.143 4.350 0.001 0.000 0.193 121 E C 2.153 178.762 176.600 0.015 0.000 0.988 121 E CA 1.253 57.665 56.400 0.020 0.000 0.804 121 E CB -0.156 29.549 29.700 0.008 0.000 0.745 121 E HN 0.405 nan 8.360 nan 0.000 0.458 122 M N 0.424 120.034 119.600 0.017 0.000 2.229 122 M HA -0.059 4.421 4.480 0.001 0.000 0.264 122 M C 2.371 178.672 176.300 0.001 0.000 1.063 122 M CA 1.324 56.629 55.300 0.009 0.000 1.114 122 M CB -0.185 32.422 32.600 0.012 0.000 1.387 122 M HN 0.196 nan 8.290 nan 0.000 0.420 123 G N 0.065 108.868 108.800 0.006 0.000 2.408 123 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 123 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 123 G C 1.286 176.178 174.900 -0.013 0.000 1.150 123 G CA 0.650 45.743 45.100 -0.011 0.000 0.776 123 G HN 0.475 nan 8.290 nan 0.000 0.542 124 E N 0.409 120.611 120.200 0.002 0.000 2.085 124 E HA -0.119 4.231 4.350 0.001 0.000 0.194 124 E C 2.504 179.093 176.600 -0.018 0.000 0.994 124 E CA 0.969 57.365 56.400 -0.006 0.000 0.801 124 E CB -0.069 29.634 29.700 0.005 0.000 0.743 124 E HN 0.383 nan 8.360 nan 0.000 0.453 125 K N 0.437 120.830 120.400 -0.013 0.000 2.026 125 K HA -0.154 4.167 4.320 0.001 0.000 0.208 125 K C 2.263 178.850 176.600 -0.021 0.000 1.048 125 K CA 0.834 57.112 56.287 -0.015 0.000 0.929 125 K CB -0.216 32.279 32.500 -0.009 0.000 0.713 125 K HN 0.043 nan 8.250 nan 0.000 0.439 126 L N 1.133 122.342 121.223 -0.023 0.000 2.017 126 L HA -0.168 4.172 4.340 0.001 0.000 0.208 126 L C 2.296 179.145 176.870 -0.036 0.000 1.073 126 L CA 1.761 56.585 54.840 -0.028 0.000 0.745 126 L CB -0.848 41.190 42.059 -0.034 0.000 0.894 126 L HN 0.008 nan 8.230 nan 0.000 0.432 127 S N -0.643 115.030 115.700 -0.045 0.000 2.365 127 S HA -0.248 4.222 4.470 0.001 0.000 0.225 127 S C 2.134 176.699 174.600 -0.058 0.000 1.039 127 S CA 1.363 59.525 58.200 -0.062 0.000 1.033 127 S CB -0.621 62.536 63.200 -0.070 0.000 0.887 127 S HN 0.724 nan 8.310 nan 0.000 0.447 128 A N 0.385 123.176 122.820 -0.048 0.000 1.986 128 A HA -0.136 4.185 4.320 0.001 0.000 0.220 128 A C 2.239 179.798 177.584 -0.041 0.000 1.171 128 A CA 2.326 54.335 52.037 -0.047 0.000 0.640 128 A CB -1.125 17.853 19.000 -0.037 0.000 0.811 128 A HN 0.738 nan 8.150 nan 0.000 0.451 129 T N -2.541 111.994 114.554 -0.031 0.000 3.107 129 T HA 0.417 4.767 4.350 0.001 0.000 0.249 129 T C 0.505 175.199 174.700 -0.010 0.000 1.096 129 T CA -0.325 61.763 62.100 -0.020 0.000 1.012 129 T CB -0.499 68.362 68.868 -0.011 0.000 0.977 129 T HN 0.238 nan 8.240 nan 0.000 0.527 130 L N 2.256 123.467 121.223 -0.019 0.000 2.456 130 L HA 0.274 4.614 4.340 0.001 0.000 0.272 130 L C 0.869 177.756 176.870 0.028 0.000 1.189 130 L CA -0.655 54.187 54.840 0.004 0.000 0.846 130 L CB 0.024 42.072 42.059 -0.019 0.000 1.111 130 L HN 0.333 nan 8.230 nan 0.000 0.475 131 H N 1.666 120.721 119.070 -0.025 0.000 3.001 131 H HA 0.020 4.577 4.556 0.001 0.000 0.334 131 H C 0.903 176.224 175.328 -0.012 0.000 1.034 131 H CA 0.605 56.644 56.048 -0.016 0.000 1.420 131 H CB 1.254 31.009 29.762 -0.012 0.000 1.405 131 H HN 0.711 nan 8.280 nan 0.000 0.593 132 A N 3.213 125.724 122.820 -0.515 0.000 2.076 132 A HA -0.186 4.135 4.320 0.001 0.000 0.220 132 A C 2.335 179.881 177.584 -0.064 0.000 1.160 132 A CA 1.591 53.473 52.037 -0.258 0.000 0.653 132 A CB -0.861 17.969 19.000 -0.284 0.000 0.801 132 A HN 0.796 nan 8.150 nan 0.000 0.455 133 S N -1.871 113.916 115.700 0.146 0.000 2.515 133 S HA 0.289 4.759 4.470 0.001 0.000 0.231 133 S C 1.584 176.311 174.600 0.211 0.000 0.987 133 S CA 1.209 59.582 58.200 0.289 0.000 0.936 133 S CB -0.479 62.980 63.200 0.432 0.000 0.766 133 S HN 1.915 nan 8.310 nan 0.000 0.528 134 G N 1.673 110.579 108.800 0.176 0.000 2.176 134 G HA2 -0.312 3.649 3.960 0.001 0.000 0.253 134 G HA3 -0.312 3.649 3.960 0.001 0.000 0.253 134 G C 0.927 175.886 174.900 0.099 0.000 0.979 134 G CA 0.287 45.457 45.100 0.117 0.000 0.641 134 G HN 0.532 nan 8.290 nan 0.000 0.530 135 R N 0.102 120.667 120.500 0.108 0.000 2.193 135 R HA 0.002 4.343 4.340 0.001 0.000 0.229 135 R C 0.985 177.295 176.300 0.018 0.000 1.110 135 R CA 1.357 57.479 56.100 0.036 0.000 0.988 135 R CB -0.094 30.182 30.300 -0.040 0.000 0.871 135 R HN 0.309 nan 8.270 nan 0.000 0.458 136 D N 0.192 120.612 120.400 0.035 0.000 2.363 136 D HA 0.011 4.652 4.640 0.001 0.000 0.214 136 D C -0.132 176.166 176.300 -0.004 0.000 1.093 136 D CA 0.106 54.112 54.000 0.010 0.000 0.837 136 D CB -0.051 40.763 40.800 0.023 0.000 0.948 136 D HN 0.070 nan 8.370 nan 0.000 0.507 137 D N 1.118 121.519 120.400 0.000 0.000 2.362 137 D HA 0.190 4.830 4.640 0.001 0.000 0.238 137 D C 0.371 176.649 176.300 -0.036 0.000 1.212 137 D CA 0.231 54.214 54.000 -0.028 0.000 0.902 137 D CB 0.608 41.394 40.800 -0.023 0.000 1.180 137 D HN 0.007 nan 8.370 nan 0.000 0.445 138 M N -0.994 118.568 119.600 -0.062 0.000 2.721 138 M HA 0.413 4.893 4.480 0.001 0.000 0.271 138 M C -0.606 175.637 176.300 -0.094 0.000 1.259 138 M CA -0.993 54.267 55.300 -0.066 0.000 0.835 138 M CB 1.577 34.135 32.600 -0.069 0.000 1.689 138 M HN 0.262 nan 8.290 nan 0.000 0.470 139 S N 0.342 115.985 115.700 -0.096 0.000 2.608 139 S HA 0.413 4.884 4.470 0.001 0.000 0.261 139 S C 0.923 175.423 174.600 -0.167 0.000 1.314 139 S CA -0.746 57.377 58.200 -0.129 0.000 0.992 139 S CB 0.613 63.744 63.200 -0.116 0.000 0.935 139 S HN 0.753 nan 8.310 nan 0.000 0.564 140 I N 0.391 120.822 120.570 -0.232 0.000 2.394 140 I HA -0.122 4.048 4.170 0.001 0.000 0.251 140 I C 2.320 178.269 176.117 -0.279 0.000 1.136 140 I CA 0.871 61.985 61.300 -0.309 0.000 1.425 140 I CB -0.459 37.225 38.000 -0.526 0.000 1.079 140 I HN 0.608 nan 8.210 nan 0.000 0.425 141 L N 1.397 122.480 121.223 -0.233 0.000 2.046 141 L HA -0.150 4.191 4.340 0.001 0.000 0.208 141 L C 2.593 179.386 176.870 -0.130 0.000 1.077 141 L CA 2.129 56.866 54.840 -0.172 0.000 0.747 141 L CB -0.771 41.214 42.059 -0.123 0.000 0.896 141 L HN 0.167 nan 8.230 nan 0.000 0.432 142 A N -0.343 122.407 122.820 -0.117 0.000 1.883 142 A HA -0.270 4.050 4.320 0.001 0.000 0.217 142 A C 2.389 179.909 177.584 -0.106 0.000 1.186 142 A CA 2.261 54.239 52.037 -0.098 0.000 0.624 142 A CB -0.857 18.093 19.000 -0.084 0.000 0.822 142 A HN 0.597 nan 8.150 nan 0.000 0.444 143 M N -0.290 119.240 119.600 -0.117 0.000 2.202 143 M HA -0.214 4.266 4.480 0.001 0.000 0.262 143 M C 1.993 178.230 176.300 -0.105 0.000 1.063 143 M CA 2.033 57.268 55.300 -0.107 0.000 1.097 143 M CB -0.880 31.654 32.600 -0.110 0.000 1.382 143 M HN 0.597 nan 8.290 nan 0.000 0.413 144 Q N -0.373 119.358 119.800 -0.115 0.000 2.046 144 Q HA -0.142 4.199 4.340 0.001 0.000 0.200 144 Q C 2.146 178.099 176.000 -0.079 0.000 0.975 144 Q CA 1.550 57.301 55.803 -0.086 0.000 0.836 144 Q CB -0.120 28.562 28.738 -0.093 0.000 0.896 144 Q HN 0.562 nan 8.270 nan 0.000 0.428 145 R N 0.231 120.677 120.500 -0.089 0.000 2.081 145 R HA -0.158 4.183 4.340 0.001 0.000 0.235 145 R C 2.335 178.541 176.300 -0.156 0.000 1.131 145 R CA 1.066 57.113 56.100 -0.089 0.000 0.960 145 R CB -0.454 29.798 30.300 -0.081 0.000 0.856 145 R HN 0.181 nan 8.270 nan 0.000 0.436 146 L N 1.630 122.748 121.223 -0.175 0.000 2.012 146 L HA -0.186 4.155 4.340 0.001 0.000 0.210 146 L C 1.372 178.024 176.870 -0.362 0.000 1.073 146 L CA 1.896 56.580 54.840 -0.261 0.000 0.748 146 L CB -0.547 41.412 42.059 -0.166 0.000 0.891 146 L HN 0.117 nan 8.230 nan 0.000 0.431 147 N N -0.177 118.415 118.700 -0.180 0.000 2.409 147 N HA -0.092 4.648 4.740 0.001 0.000 0.179 147 N C 1.299 176.812 175.510 0.004 0.000 1.032 147 N CA 1.149 54.148 53.050 -0.085 0.000 0.898 147 N CB -0.025 38.446 38.487 -0.027 0.000 0.971 147 N HN 0.614 nan 8.380 nan 0.000 0.441 148 E N -0.309 119.877 120.200 -0.023 0.000 2.481 148 E HA 0.099 4.450 4.350 0.001 0.000 0.198 148 E C -0.638 176.040 176.600 0.130 0.000 1.027 148 E CA -0.177 56.261 56.400 0.064 0.000 0.900 148 E CB 0.153 29.870 29.700 0.030 0.000 0.993 148 E HN 0.288 nan 8.360 nan 0.000 0.482 149 H N 1.108 120.175 119.070 -0.005 0.000 2.680 149 H HA -0.143 4.414 4.556 0.001 0.000 0.328 149 H C -0.427 174.899 175.328 -0.003 0.000 1.139 149 H CA 0.607 56.652 56.048 -0.005 0.000 1.124 149 H CB -1.184 28.576 29.762 -0.003 0.000 1.584 149 H HN 0.261 nan 8.280 nan 0.000 0.410 150 Q N 0.209 120.025 119.800 0.027 0.000 2.511 150 Q HA 0.261 4.601 4.340 0.001 0.000 0.289 150 Q C -2.058 173.940 176.000 -0.003 0.000 1.021 150 Q CA -1.568 54.250 55.803 0.025 0.000 0.785 150 Q CB 2.292 31.042 28.738 0.020 0.000 1.472 150 Q HN 0.119 nan 8.270 nan 0.000 0.411 151 P HA 0.057 nan 4.420 nan 0.000 0.256 151 P C -0.844 176.451 177.300 -0.009 0.000 1.384 151 P CA 0.434 63.530 63.100 -0.006 0.000 0.879 151 P CB 0.196 31.896 31.700 0.001 0.000 1.403 152 N N -2.637 116.057 118.700 -0.009 0.000 3.046 152 N HA 0.495 5.235 4.740 0.001 0.000 0.243 152 N C -0.246 175.258 175.510 -0.011 0.000 1.452 152 N CA -0.943 52.102 53.050 -0.009 0.000 0.882 152 N CB 0.259 38.747 38.487 0.001 0.000 1.425 152 N HN -0.174 nan 8.380 nan 0.000 0.517 153 G N -1.098 107.695 108.800 -0.012 0.000 2.543 153 G HA2 0.547 4.507 3.960 0.001 0.000 0.267 153 G HA3 0.547 4.507 3.960 0.001 0.000 0.267 153 G C -2.523 172.384 174.900 0.012 0.000 1.406 153 G CA -1.825 43.268 45.100 -0.011 0.000 1.048 153 G HN 0.503 nan 8.290 nan 0.000 0.548 154 P HA 0.164 nan 4.420 nan 0.000 0.259 154 P C 0.017 177.339 177.300 0.036 0.000 1.163 154 P CA 1.035 64.159 63.100 0.039 0.000 0.760 154 P CB 1.086 32.825 31.700 0.066 0.000 0.762 155 A N 2.294 125.132 122.820 0.030 0.000 2.548 155 A HA 0.201 4.522 4.320 0.001 0.000 0.236 155 A C 0.754 178.355 177.584 0.028 0.000 1.246 155 A CA 0.280 52.334 52.037 0.028 0.000 0.993 155 A CB -0.208 18.806 19.000 0.022 0.000 1.209 155 A HN 0.487 nan 8.150 nan 0.000 0.570 156 T N -2.986 111.585 114.554 0.029 0.000 2.902 156 T HA 0.464 4.814 4.350 0.001 0.000 0.280 156 T C -1.886 172.827 174.700 0.022 0.000 0.992 156 T CA -1.479 60.641 62.100 0.032 0.000 1.015 156 T CB 1.330 70.224 68.868 0.044 0.000 1.044 156 T HN -0.137 nan 8.240 nan 0.000 0.520 157 P HA -0.137 nan 4.420 nan 0.000 0.215 157 P C 1.844 179.134 177.300 -0.017 0.000 1.157 157 P CA 0.698 63.808 63.100 0.018 0.000 0.874 157 P CB -0.189 31.544 31.700 0.056 0.000 0.790 158 V N 0.013 119.876 119.914 -0.086 0.000 2.358 158 V HA -0.220 3.900 4.120 0.001 0.000 0.246 158 V C 1.689 177.706 176.094 -0.127 0.000 1.047 158 V CA 2.325 64.491 62.300 -0.224 0.000 1.035 158 V CB -1.150 30.322 31.823 -0.585 0.000 0.658 158 V HN -0.015 nan 8.190 nan 0.000 0.452 159 D N -0.293 120.058 120.400 -0.080 0.000 2.144 159 D HA -0.133 4.507 4.640 0.001 0.000 0.200 159 D C 2.208 178.526 176.300 0.029 0.000 0.978 159 D CA 1.862 55.841 54.000 -0.035 0.000 0.833 159 D CB -0.250 40.544 40.800 -0.010 0.000 0.961 159 D HN 0.457 nan 8.370 nan 0.000 0.470 160 M N 0.026 119.650 119.600 0.039 0.000 2.117 160 M HA -0.112 4.368 4.480 0.001 0.000 0.262 160 M C 2.352 178.731 176.300 0.132 0.000 1.065 160 M CA 0.807 56.159 55.300 0.086 0.000 1.114 160 M CB -0.121 32.520 32.600 0.068 0.000 1.361 160 M HN -0.103 nan 8.290 nan 0.000 0.408 161 V N -0.160 119.806 119.914 0.087 0.000 2.667 161 V HA -0.133 3.987 4.120 0.001 0.000 0.252 161 V C 2.062 178.260 176.094 0.173 0.000 1.065 161 V CA 1.124 63.499 62.300 0.125 0.000 1.083 161 V CB 0.095 31.965 31.823 0.079 0.000 0.692 161 V HN 0.239 nan 8.190 nan 0.000 0.468 162 V N 0.272 120.249 119.914 0.105 0.000 2.379 162 V HA -0.200 3.921 4.120 0.001 0.000 0.245 162 V C 2.300 178.508 176.094 0.191 0.000 1.044 162 V CA 2.376 64.746 62.300 0.116 0.000 1.036 162 V CB -0.579 31.254 31.823 0.017 0.000 0.664 162 V HN 0.682 nan 8.190 nan 0.000 0.453 163 D N -0.956 119.559 120.400 0.191 0.000 2.097 163 D HA -0.256 4.384 4.640 0.001 0.000 0.195 163 D C 2.005 178.485 176.300 0.300 0.000 0.989 163 D CA 1.581 55.745 54.000 0.274 0.000 0.827 163 D CB -0.219 40.727 40.800 0.243 0.000 0.966 163 D HN 0.522 nan 8.370 nan 0.000 0.456 164 Y N -0.608 119.785 120.300 0.154 0.000 2.181 164 Y HA -0.258 4.293 4.550 0.001 0.000 0.288 164 Y C 2.100 178.044 175.900 0.074 0.000 1.146 164 Y CA 1.895 60.073 58.100 0.131 0.000 1.164 164 Y CB -0.557 37.962 38.460 0.098 0.000 0.982 164 Y HN 0.136 nan 8.280 nan 0.000 0.515 165 Y N 0.866 121.265 120.300 0.166 0.000 2.181 165 Y HA -0.179 4.372 4.550 0.001 0.000 0.288 165 Y C 2.062 177.881 175.900 -0.135 0.000 1.146 165 Y CA 1.998 60.085 58.100 -0.021 0.000 1.164 165 Y CB -0.397 38.011 38.460 -0.087 0.000 0.982 165 Y HN -0.005 nan 8.280 nan 0.000 0.515 166 K N -1.170 118.937 120.400 -0.488 0.000 2.167 166 K HA -0.026 4.294 4.320 0.001 0.000 0.203 166 K C 1.314 177.308 176.600 -1.010 0.000 1.052 166 K CA 1.521 57.258 56.287 -0.918 0.000 0.956 166 K CB -0.103 31.862 32.500 -0.892 0.000 0.735 166 K HN 0.328 nan 8.250 nan 0.000 0.451 167 F N 0.141 119.985 119.950 -0.176 0.000 2.539 167 F HA 0.072 4.600 4.527 0.001 0.000 0.277 167 F C 1.654 177.393 175.800 -0.100 0.000 0.925 167 F CA -0.092 57.882 58.000 -0.044 0.000 1.193 167 F CB -0.255 38.783 39.000 0.063 0.000 1.128 167 F HN -0.169 nan 8.300 nan 0.000 0.740 168 D N -0.213 120.149 120.400 -0.064 0.000 2.158 168 D HA -0.251 4.390 4.640 0.001 0.000 0.197 168 D C 1.705 177.853 176.300 -0.253 0.000 0.995 168 D CA 1.387 55.186 54.000 -0.335 0.000 0.846 168 D CB -0.506 39.607 40.800 -1.146 0.000 0.941 168 D HN 0.237 nan 8.370 nan 0.000 0.456 169 Y N 0.736 120.761 120.300 -0.459 0.000 2.497 169 Y HA -0.069 4.481 4.550 0.001 0.000 0.292 169 Y C 1.925 177.732 175.900 -0.155 0.000 1.137 169 Y CA 0.959 58.934 58.100 -0.208 0.000 1.285 169 Y CB 0.147 38.446 38.460 -0.267 0.000 0.991 169 Y HN -0.120 nan 8.280 nan 0.000 0.556 170 E N -1.186 118.794 120.200 -0.365 0.000 2.206 170 E HA 0.049 4.400 4.350 0.001 0.000 0.195 170 E C 1.206 177.434 176.600 -0.619 0.000 0.935 170 E CA 1.042 57.028 56.400 -0.690 0.000 0.875 170 E CB -0.501 28.551 29.700 -1.081 0.000 0.841 170 E HN 0.362 nan 8.360 nan 0.000 0.477 171 F N -0.327 119.663 119.950 0.067 0.000 2.731 171 F HA 0.431 4.958 4.527 0.001 0.000 0.298 171 F C 1.343 177.313 175.800 0.285 0.000 1.106 171 F CA 0.267 58.363 58.000 0.160 0.000 1.329 171 F CB 0.623 39.694 39.000 0.118 0.000 1.100 171 F HN 0.110 nan 8.300 nan 0.000 0.592 172 A N 0.215 123.240 122.820 0.341 0.000 3.153 172 A HA -0.246 4.075 4.320 0.001 0.000 0.265 172 A C 0.280 177.922 177.584 0.095 0.000 1.212 172 A CA 1.395 53.568 52.037 0.226 0.000 1.018 172 A CB -2.124 16.963 19.000 0.145 0.000 1.130 172 A HN 0.475 nan 8.150 nan 0.000 0.873 173 E N -1.396 118.873 120.200 0.115 0.000 2.429 173 E HA 0.535 4.885 4.350 0.001 0.000 0.276 173 E C -3.125 173.503 176.600 0.047 0.000 0.953 173 E CA -2.444 53.984 56.400 0.046 0.000 0.787 173 E CB 1.864 31.578 29.700 0.024 0.000 1.307 173 E HN 0.164 nan 8.360 nan 0.000 0.458 174 P HA 0.120 nan 4.420 nan 0.000 0.274 174 P C -2.187 175.093 177.300 -0.034 0.000 1.231 174 P CA -1.260 61.848 63.100 0.013 0.000 0.790 174 P CB 0.297 32.006 31.700 0.015 0.000 0.951 175 P HA -0.191 nan 4.420 nan 0.000 0.217 175 P C 1.267 178.456 177.300 -0.186 0.000 1.148 175 P CA 1.643 64.591 63.100 -0.252 0.000 0.828 175 P CB -0.196 31.253 31.700 -0.417 0.000 0.783 176 R N -0.075 120.356 120.500 -0.116 0.000 2.285 176 R HA -0.036 4.304 4.340 0.001 0.000 0.213 176 R C 1.356 177.607 176.300 -0.081 0.000 1.068 176 R CA 1.544 57.587 56.100 -0.094 0.000 1.004 176 R CB -1.063 29.201 30.300 -0.061 0.000 0.873 176 R HN 0.242 nan 8.270 nan 0.000 0.467 177 V N -3.187 116.680 119.914 -0.079 0.000 3.605 177 V HA 0.234 4.354 4.120 0.001 0.000 0.284 177 V C 0.238 176.277 176.094 -0.092 0.000 1.386 177 V CA -0.287 61.971 62.300 -0.070 0.000 1.053 177 V CB 0.486 32.277 31.823 -0.054 0.000 0.857 177 V HN 0.078 nan 8.190 nan 0.000 0.436 178 T N 2.414 116.891 114.554 -0.129 0.000 2.869 178 T HA 0.351 4.701 4.350 0.001 0.000 0.295 178 T C 0.288 174.872 174.700 -0.194 0.000 0.987 178 T CA 0.630 62.621 62.100 -0.181 0.000 1.109 178 T CB 1.257 69.972 68.868 -0.255 0.000 0.932 178 T HN 0.538 nan 8.240 nan 0.000 0.518 179 S N 2.841 118.434 115.700 -0.178 0.000 2.498 179 S HA 0.060 4.531 4.470 0.001 0.000 0.281 179 S C 1.265 175.691 174.600 -0.289 0.000 1.265 179 S CA -0.826 57.253 58.200 -0.201 0.000 1.071 179 S CB -0.021 63.030 63.200 -0.247 0.000 0.894 179 S HN 0.632 nan 8.310 nan 0.000 0.491 180 L N 5.528 126.614 121.223 -0.228 0.000 2.027 180 L HA -0.030 4.311 4.340 0.001 0.000 0.206 180 L C 2.594 179.325 176.870 -0.231 0.000 1.074 180 L CA 2.155 56.867 54.840 -0.214 0.000 0.745 180 L CB -0.940 41.024 42.059 -0.159 0.000 0.898 180 L HN 0.952 nan 8.230 nan 0.000 0.433 181 Q N -0.564 119.092 119.800 -0.241 0.000 2.135 181 Q HA -0.211 4.130 4.340 0.001 0.000 0.204 181 Q C 1.113 176.890 176.000 -0.371 0.000 0.981 181 Q CA 1.894 57.547 55.803 -0.251 0.000 0.856 181 Q CB -0.029 28.578 28.738 -0.219 0.000 0.902 181 Q HN 0.625 nan 8.270 nan 0.000 0.425 182 N N -0.825 117.524 118.700 -0.585 0.000 2.270 182 N HA 0.007 4.747 4.740 0.001 0.000 0.198 182 N C 0.405 175.607 175.510 -0.513 0.000 1.117 182 N CA 1.033 53.592 53.050 -0.820 0.000 0.845 182 N CB 1.171 38.489 38.487 -1.948 0.000 0.980 182 N HN 0.364 nan 8.380 nan 0.000 0.486 183 T N -4.190 110.150 114.554 -0.357 0.000 3.080 183 T HA 0.230 4.581 4.350 0.001 0.000 0.280 183 T C 0.094 174.775 174.700 -0.031 0.000 0.926 183 T CA -0.083 61.870 62.100 -0.246 0.000 0.883 183 T CB 0.361 68.833 68.868 -0.660 0.000 1.194 183 T HN -0.214 nan 8.240 nan 0.000 0.541 184 V N 4.468 124.343 119.914 -0.067 0.000 2.447 184 V HA 0.525 4.645 4.120 0.001 0.000 0.292 184 V C -2.510 173.574 176.094 -0.017 0.000 1.021 184 V CA -2.019 60.297 62.300 0.027 0.000 0.850 184 V CB 2.276 34.118 31.823 0.031 0.000 1.005 184 V HN 0.195 nan 8.190 nan 0.000 0.426 185 P HA 0.297 nan 4.420 nan 0.000 0.279 185 P C -0.949 176.391 177.300 0.068 0.000 1.282 185 P CA -0.520 62.617 63.100 0.060 0.000 0.788 185 P CB 1.609 33.332 31.700 0.038 0.000 1.139 186 L N 0.329 121.646 121.223 0.158 0.000 2.282 186 L HA 0.452 4.793 4.340 0.001 0.000 0.288 186 L C 1.549 178.453 176.870 0.056 0.000 1.033 186 L CA -0.435 54.499 54.840 0.157 0.000 0.807 186 L CB 0.570 42.831 42.059 0.337 0.000 1.209 186 L HN 0.526 nan 8.230 nan 0.000 0.423 187 A N 3.038 125.858 122.820 0.000 0.000 1.948 187 A HA -0.177 4.143 4.320 0.001 0.000 0.220 187 A C 1.932 179.500 177.584 -0.026 0.000 1.177 187 A CA 2.396 54.399 52.037 -0.056 0.000 0.636 187 A CB -0.838 18.069 19.000 -0.155 0.000 0.815 187 A HN 0.870 nan 8.150 nan 0.000 0.449 188 T N -0.694 113.848 114.554 -0.021 0.000 2.665 188 T HA -0.167 4.184 4.350 0.001 0.000 0.268 188 T C 1.463 175.891 174.700 -0.454 0.000 1.035 188 T CA 1.968 63.912 62.100 -0.261 0.000 1.151 188 T CB -0.435 67.964 68.868 -0.783 0.000 0.862 188 T HN 0.552 nan 8.240 nan 0.000 0.438 189 F N 1.262 121.178 119.950 -0.055 0.000 2.317 189 F HA 0.020 4.548 4.527 0.001 0.000 0.293 189 F C 2.885 178.640 175.800 -0.075 0.000 1.085 189 F CA 0.627 58.587 58.000 -0.067 0.000 1.390 189 F CB -0.377 38.581 39.000 -0.071 0.000 1.077 189 F HN 0.128 nan 8.300 nan 0.000 0.517 190 S N -0.262 115.474 115.700 0.060 0.000 2.382 190 S HA -0.166 4.305 4.470 0.001 0.000 0.228 190 S C 1.355 175.896 174.600 -0.099 0.000 1.027 190 S CA 1.521 59.716 58.200 -0.008 0.000 0.991 190 S CB -0.449 62.736 63.200 -0.025 0.000 0.823 190 S HN 0.265 nan 8.310 nan 0.000 0.469 191 D N 1.022 121.281 120.400 -0.234 0.000 2.149 191 D HA 0.152 4.792 4.640 0.001 0.000 0.206 191 D C 1.440 177.525 176.300 -0.358 0.000 0.967 191 D CA 0.856 54.610 54.000 -0.410 0.000 0.848 191 D CB -0.414 39.908 40.800 -0.797 0.000 0.998 191 D HN 0.541 nan 8.370 nan 0.000 0.474 192 F N 0.235 120.128 119.950 -0.094 0.000 2.754 192 F HA 0.367 4.894 4.527 0.001 0.000 0.297 192 F C 1.289 177.042 175.800 -0.079 0.000 1.122 192 F CA 0.189 58.107 58.000 -0.138 0.000 1.400 192 F CB 0.809 39.622 39.000 -0.312 0.000 1.117 192 F HN -0.033 nan 8.300 nan 0.000 0.587 193 G N 0.411 109.289 108.800 0.131 0.000 2.465 193 G HA2 -0.133 3.827 3.960 0.001 0.000 0.681 193 G HA3 -0.133 3.827 3.960 0.001 0.000 0.681 193 G C -0.710 174.320 174.900 0.217 0.000 1.340 193 G CA -0.803 44.370 45.100 0.122 0.000 0.884 193 G HN -0.034 nan 8.290 nan 0.000 0.650 194 D N -0.054 120.419 120.400 0.120 0.000 2.349 194 D HA 0.079 4.720 4.640 0.001 0.000 0.215 194 D C 0.493 176.789 176.300 -0.007 0.000 1.016 194 D CA 0.556 54.574 54.000 0.029 0.000 0.870 194 D CB 0.284 41.040 40.800 -0.073 0.000 0.917 194 D HN 0.411 nan 8.370 nan 0.000 0.524 195 D N 0.346 120.786 120.400 0.067 0.000 2.329 195 D HA 0.213 4.853 4.640 0.001 0.000 0.246 195 D C 0.399 176.775 176.300 0.126 0.000 1.111 195 D CA -0.250 53.777 54.000 0.045 0.000 0.941 195 D CB 2.283 43.120 40.800 0.062 0.000 1.169 195 D HN -0.137 nan 8.370 nan 0.000 0.441 196 V N -0.845 119.115 119.914 0.077 0.000 2.760 196 V HA 0.554 4.675 4.120 0.001 0.000 0.309 196 V C -1.591 174.655 176.094 0.254 0.000 1.077 196 V CA -0.838 61.620 62.300 0.262 0.000 0.910 196 V CB 1.413 33.354 31.823 0.197 0.000 1.008 196 V HN 0.341 nan 8.190 nan 0.000 0.424 197 Y N 3.868 124.421 120.300 0.422 0.000 2.328 197 Y HA 0.602 5.152 4.550 0.001 0.000 0.336 197 Y C -0.342 175.820 175.900 0.437 0.000 0.960 197 Y CA -0.925 57.420 58.100 0.408 0.000 1.134 197 Y CB 1.994 40.560 38.460 0.177 0.000 1.166 197 Y HN 0.827 nan 8.280 nan 0.000 0.464 198 F N 4.161 124.241 119.950 0.217 0.000 2.445 198 F HA 0.498 5.026 4.527 0.001 0.000 0.359 198 F C -0.436 175.352 175.800 -0.019 0.000 1.101 198 F CA -0.625 57.185 58.000 -0.316 0.000 1.177 198 F CB 0.444 39.250 39.000 -0.324 0.000 1.110 198 F HN 0.172 nan 8.300 nan 0.000 0.522 199 V N 6.405 126.074 119.914 -0.409 0.000 2.432 199 V HA 0.528 4.649 4.120 0.001 0.000 0.271 199 V C 0.161 176.159 176.094 -0.159 0.000 1.046 199 V CA -0.255 61.904 62.300 -0.235 0.000 0.945 199 V CB 0.781 32.280 31.823 -0.540 0.000 0.992 199 V HN 0.898 nan 8.190 nan 0.000 0.471 200 A N 4.298 127.216 122.820 0.163 0.000 2.943 200 A HA 0.559 4.880 4.320 0.001 0.000 0.327 200 A C -0.644 177.072 177.584 0.221 0.000 1.141 200 A CA -0.454 51.734 52.037 0.251 0.000 0.773 200 A CB 0.261 19.429 19.000 0.280 0.000 1.143 200 A HN 0.718 nan 8.150 nan 0.000 0.463 201 D N 0.862 121.341 120.400 0.133 0.000 2.780 201 D HA 0.218 4.858 4.640 0.001 0.000 0.242 201 D C 0.293 176.634 176.300 0.068 0.000 1.135 201 D CA -0.359 53.696 54.000 0.091 0.000 0.859 201 D CB 1.673 42.494 40.800 0.035 0.000 1.530 201 D HN 0.259 nan 8.370 nan 0.000 0.493 202 Q N 1.999 121.832 119.800 0.054 0.000 2.291 202 Q HA -0.075 4.266 4.340 0.001 0.000 0.206 202 Q C 1.542 177.531 176.000 -0.018 0.000 0.976 202 Q CA 0.929 56.740 55.803 0.013 0.000 0.875 202 Q CB 0.040 28.780 28.738 0.004 0.000 0.927 202 Q HN 0.471 nan 8.270 nan 0.000 0.450 203 R N -0.063 120.430 120.500 -0.011 0.000 2.189 203 R HA 0.076 4.416 4.340 0.001 0.000 0.218 203 R C 0.684 176.976 176.300 -0.013 0.000 1.074 203 R CA 0.659 56.741 56.100 -0.030 0.000 0.991 203 R CB -0.052 30.236 30.300 -0.021 0.000 0.883 203 R HN 0.282 nan 8.270 nan 0.000 0.457 204 G N -0.360 108.451 108.800 0.018 0.000 2.721 204 G HA2 -0.319 3.642 3.960 0.001 0.000 0.686 204 G HA3 -0.319 3.642 3.960 0.001 0.000 0.686 204 G C -0.078 174.915 174.900 0.154 0.000 1.236 204 G CA -0.233 44.903 45.100 0.059 0.000 0.786 204 G HN 0.367 nan 8.290 nan 0.000 0.616 205 Y N 0.627 120.943 120.300 0.026 0.000 2.333 205 Y HA -0.160 4.391 4.550 0.001 0.000 0.290 205 Y C 2.777 178.739 175.900 0.104 0.000 1.144 205 Y CA 1.795 59.924 58.100 0.048 0.000 1.228 205 Y CB 0.180 38.664 38.460 0.041 0.000 0.985 205 Y HN 0.830 nan 8.280 nan 0.000 0.542 206 E N 0.241 120.615 120.200 0.289 0.000 2.401 206 E HA -0.206 4.144 4.350 0.001 0.000 0.199 206 E C 1.956 178.788 176.600 0.386 0.000 1.023 206 E CA 0.754 57.329 56.400 0.292 0.000 0.859 206 E CB -0.291 29.626 29.700 0.363 0.000 0.780 206 E HN 0.475 nan 8.360 nan 0.000 0.523 207 A N 1.521 124.509 122.820 0.280 0.000 2.024 207 A HA -0.113 4.207 4.320 0.001 0.000 0.220 207 A C 2.434 180.192 177.584 0.290 0.000 1.164 207 A CA 1.336 53.521 52.037 0.247 0.000 0.643 207 A CB -0.652 18.417 19.000 0.115 0.000 0.806 207 A HN 0.216 nan 8.150 nan 0.000 0.451 208 V N -0.472 119.593 119.914 0.252 0.000 2.287 208 V HA -0.249 3.871 4.120 0.001 0.000 0.248 208 V C 2.569 178.821 176.094 0.262 0.000 1.053 208 V CA 2.134 64.567 62.300 0.222 0.000 1.027 208 V CB -0.726 31.205 31.823 0.180 0.000 0.646 208 V HN 0.404 nan 8.190 nan 0.000 0.447 209 V N -1.449 118.594 119.914 0.215 0.000 2.358 209 V HA -0.254 3.866 4.120 0.001 0.000 0.246 209 V C 2.165 178.323 176.094 0.107 0.000 1.047 209 V CA 1.917 64.299 62.300 0.137 0.000 1.035 209 V CB -0.808 31.050 31.823 0.059 0.000 0.658 209 V HN 0.514 nan 8.190 nan 0.000 0.452 210 Y N -0.954 119.427 120.300 0.134 0.000 2.224 210 Y HA -0.272 4.278 4.550 0.001 0.000 0.289 210 Y C 2.443 178.410 175.900 0.113 0.000 1.146 210 Y CA 2.240 60.400 58.100 0.101 0.000 1.182 210 Y CB -0.583 37.936 38.460 0.099 0.000 0.983 210 Y HN 0.352 nan 8.280 nan 0.000 0.524 211 Y N 0.073 120.488 120.300 0.190 0.000 2.181 211 Y HA -0.226 4.324 4.550 0.001 0.000 0.288 211 Y C 1.879 177.836 175.900 0.095 0.000 1.146 211 Y CA 1.425 59.593 58.100 0.113 0.000 1.164 211 Y CB -0.600 37.910 38.460 0.083 0.000 0.982 211 Y HN 0.042 nan 8.280 nan 0.000 0.515 212 L N -0.181 121.064 121.223 0.037 0.000 2.093 212 L HA -0.161 4.179 4.340 0.001 0.000 0.208 212 L C 2.820 179.682 176.870 -0.013 0.000 1.085 212 L CA 1.072 55.888 54.840 -0.040 0.000 0.755 212 L CB -0.979 41.192 42.059 0.187 0.000 0.904 212 L HN 0.325 nan 8.230 nan 0.000 0.435 213 A N 0.393 123.180 122.820 -0.054 0.000 1.908 213 A HA -0.154 4.167 4.320 0.001 0.000 0.218 213 A C 2.346 179.658 177.584 -0.453 0.000 1.181 213 A CA 1.778 53.644 52.037 -0.284 0.000 0.627 213 A CB -1.262 17.593 19.000 -0.241 0.000 0.818 213 A HN 0.445 nan 8.150 nan 0.000 0.445 214 G N -1.226 107.434 108.800 -0.234 0.000 2.559 214 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 214 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 214 G C 1.384 176.164 174.900 -0.201 0.000 1.126 214 G CA 0.638 45.625 45.100 -0.189 0.000 0.778 214 G HN 0.650 nan 8.290 nan 0.000 0.543 215 Q N -0.836 118.839 119.800 -0.208 0.000 2.435 215 Q HA 0.001 4.342 4.340 0.001 0.000 0.207 215 Q C 1.364 177.394 176.000 0.050 0.000 0.956 215 Q CA 0.902 56.649 55.803 -0.094 0.000 0.917 215 Q CB 0.074 28.754 28.738 -0.097 0.000 0.997 215 Q HN 0.951 nan 8.270 nan 0.000 0.497 216 Y N -4.369 115.882 120.300 -0.082 0.000 2.563 216 Y HA 0.343 4.894 4.550 0.001 0.000 0.273 216 Y C -0.028 175.843 175.900 -0.049 0.000 1.034 216 Y CA -0.735 57.329 58.100 -0.060 0.000 1.217 216 Y CB 0.379 38.802 38.460 -0.060 0.000 1.380 216 Y HN -0.179 nan 8.280 nan 0.000 0.568 217 L N 3.094 123.903 121.223 -0.689 0.000 2.325 217 L HA 0.407 4.747 4.340 0.001 0.000 0.279 217 L C -0.051 176.690 176.870 -0.216 0.000 1.054 217 L CA -1.134 53.445 54.840 -0.435 0.000 0.804 217 L CB 1.425 43.171 42.059 -0.523 0.000 1.200 217 L HN 0.102 nan 8.230 nan 0.000 0.436 218 K N 1.262 121.588 120.400 -0.124 0.000 2.326 218 K HA 0.442 4.763 4.320 0.001 0.000 0.275 218 K C -0.177 176.385 176.600 -0.062 0.000 1.018 218 K CA -0.193 56.050 56.287 -0.073 0.000 0.962 218 K CB 0.600 33.075 32.500 -0.042 0.000 0.953 218 K HN 0.772 nan 8.250 nan 0.000 0.475 219 T N -1.762 112.768 114.554 -0.041 0.000 2.906 219 T HA 0.136 4.486 4.350 0.001 0.000 0.295 219 T C -0.567 174.128 174.700 -0.008 0.000 1.061 219 T CA -1.130 60.958 62.100 -0.019 0.000 1.000 219 T CB 1.672 70.534 68.868 -0.011 0.000 1.103 219 T HN 0.471 nan 8.240 nan 0.000 0.486 220 D N 1.063 121.463 120.400 0.000 0.000 2.450 220 D HA 0.032 4.673 4.640 0.001 0.000 0.247 220 D C 0.318 176.620 176.300 0.003 0.000 1.162 220 D CA -0.050 53.952 54.000 0.002 0.000 0.879 220 D CB 0.999 41.803 40.800 0.006 0.000 1.163 220 D HN 0.501 nan 8.370 nan 0.000 0.472 221 D N 3.619 124.020 120.400 0.001 0.000 2.182 221 D HA -0.176 4.464 4.640 0.001 0.000 0.201 221 D C 1.521 177.823 176.300 0.003 0.000 0.986 221 D CA 1.155 55.156 54.000 0.002 0.000 0.847 221 D CB 0.175 40.976 40.800 0.001 0.000 0.942 221 D HN 0.498 nan 8.370 nan 0.000 0.467 222 K N 0.390 120.792 120.400 0.003 0.000 2.065 222 K HA -0.039 4.282 4.320 0.001 0.000 0.211 222 K C 2.175 178.777 176.600 0.003 0.000 1.025 222 K CA 0.984 57.273 56.287 0.003 0.000 0.948 222 K CB -0.076 32.425 32.500 0.002 0.000 0.798 222 K HN 0.103 nan 8.250 nan 0.000 0.450 223 S N -0.403 115.300 115.700 0.004 0.000 2.440 223 S HA -0.065 4.406 4.470 0.001 0.000 0.240 223 S C 1.597 176.201 174.600 0.006 0.000 1.014 223 S CA 1.357 59.560 58.200 0.004 0.000 0.980 223 S CB -0.745 62.460 63.200 0.008 0.000 0.775 223 S HN 0.743 nan 8.310 nan 0.000 0.499 224 G N 1.110 109.916 108.800 0.010 0.000 2.220 224 G HA2 -0.328 3.633 3.960 0.001 0.000 0.269 224 G HA3 -0.328 3.633 3.960 0.001 0.000 0.269 224 G C 0.094 175.011 174.900 0.028 0.000 0.977 224 G CA 0.575 45.685 45.100 0.016 0.000 0.634 224 G HN 0.658 nan 8.290 nan 0.000 0.539 225 K N 0.100 120.516 120.400 0.028 0.000 2.414 225 K HA 0.407 4.728 4.320 0.001 0.000 0.272 225 K C 0.806 177.430 176.600 0.039 0.000 0.993 225 K CA -0.263 56.054 56.287 0.049 0.000 0.964 225 K CB 0.818 33.344 32.500 0.044 0.000 0.925 225 K HN 0.299 nan 8.250 nan 0.000 0.487 226 I N 2.504 123.107 120.570 0.054 0.000 2.496 226 I HA -0.084 4.086 4.170 0.001 0.000 0.285 226 I C 1.062 177.177 176.117 -0.003 0.000 1.080 226 I CA 0.012 61.314 61.300 0.004 0.000 1.404 226 I CB 0.741 38.731 38.000 -0.018 0.000 1.403 226 I HN 0.450 nan 8.210 nan 0.000 0.539 227 V N 0.740 120.643 119.914 -0.019 0.000 3.330 227 V HA 0.202 4.322 4.120 0.001 0.000 0.309 227 V C 0.521 176.601 176.094 -0.024 0.000 1.481 227 V CA -0.452 61.840 62.300 -0.013 0.000 1.068 227 V CB 0.018 31.837 31.823 -0.006 0.000 0.935 227 V HN 0.701 nan 8.190 nan 0.000 0.453 228 D N 4.154 124.529 120.400 -0.042 0.000 2.520 228 D HA 0.069 4.710 4.640 0.001 0.000 0.243 228 D C -1.151 175.128 176.300 -0.035 0.000 1.160 228 D CA -0.760 53.213 54.000 -0.045 0.000 0.877 228 D CB 2.038 42.793 40.800 -0.075 0.000 1.150 228 D HN 0.265 nan 8.370 nan 0.000 0.494 229 P HA -0.017 nan 4.420 nan 0.000 0.237 229 P C 0.926 178.212 177.300 -0.025 0.000 1.178 229 P CA 0.355 63.445 63.100 -0.017 0.000 0.766 229 P CB 0.277 31.974 31.700 -0.005 0.000 0.876 230 R N -0.828 119.655 120.500 -0.028 0.000 2.280 230 R HA 0.056 4.396 4.340 0.001 0.000 0.207 230 R C 0.614 176.882 176.300 -0.053 0.000 1.043 230 R CA 0.095 56.177 56.100 -0.030 0.000 1.006 230 R CB -0.300 29.996 30.300 -0.007 0.000 0.885 230 R HN 0.172 nan 8.270 nan 0.000 0.467 231 L N 1.478 122.664 121.223 -0.060 0.000 2.272 231 L HA 0.227 4.567 4.340 0.001 0.000 0.289 231 L C -1.115 175.708 176.870 -0.079 0.000 1.032 231 L CA -0.085 54.708 54.840 -0.077 0.000 0.810 231 L CB 1.521 43.531 42.059 -0.082 0.000 1.205 231 L HN -0.107 nan 8.230 nan 0.000 0.422 232 Q N 6.174 125.910 119.800 -0.106 0.000 2.320 232 Q HA 0.451 4.792 4.340 0.001 0.000 0.268 232 Q C -0.900 175.034 176.000 -0.110 0.000 1.023 232 Q CA -0.423 55.322 55.803 -0.096 0.000 0.744 232 Q CB 2.287 30.954 28.738 -0.119 0.000 1.246 232 Q HN 0.702 nan 8.270 nan 0.000 0.462 233 L N 1.500 122.672 121.223 -0.086 0.000 2.479 233 L HA 0.328 4.668 4.340 0.001 0.000 0.249 233 L C 0.905 177.715 176.870 -0.099 0.000 1.178 233 L CA -0.635 54.142 54.840 -0.105 0.000 0.811 233 L CB 0.298 42.313 42.059 -0.073 0.000 1.187 233 L HN 0.654 nan 8.230 nan 0.000 0.480 234 N N -0.121 118.501 118.700 -0.130 0.000 2.693 234 N HA -0.160 4.581 4.740 0.001 0.000 0.249 234 N C -0.733 174.715 175.510 -0.103 0.000 1.119 234 N CA 0.929 53.915 53.050 -0.107 0.000 0.717 234 N CB -0.835 37.626 38.487 -0.043 0.000 1.071 234 N HN 0.464 nan 8.380 nan 0.000 0.555 235 K N 1.017 121.329 120.400 -0.148 0.000 2.354 235 K HA 0.355 4.675 4.320 0.001 0.000 0.257 235 K C -0.225 176.271 176.600 -0.173 0.000 1.062 235 K CA -0.413 55.804 56.287 -0.117 0.000 0.971 235 K CB 1.411 33.834 32.500 -0.128 0.000 1.305 235 K HN -0.114 nan 8.250 nan 0.000 0.449 236 V N 4.114 123.945 119.914 -0.138 0.000 2.356 236 V HA 0.073 4.194 4.120 0.001 0.000 0.258 236 V C 0.592 176.643 176.094 -0.072 0.000 1.065 236 V CA -0.827 61.381 62.300 -0.154 0.000 0.935 236 V CB 0.929 32.726 31.823 -0.044 0.000 1.061 236 V HN 0.321 nan 8.190 nan 0.000 0.484 237 V N 7.710 127.564 119.914 -0.100 0.000 2.540 237 V HA 0.124 4.244 4.120 0.001 0.000 0.297 237 V C 1.306 177.364 176.094 -0.061 0.000 1.024 237 V CA 0.313 62.568 62.300 -0.075 0.000 1.105 237 V CB 0.556 32.315 31.823 -0.107 0.000 0.938 237 V HN 0.807 nan 8.190 nan 0.000 0.482 238 R N 2.797 123.265 120.500 -0.053 0.000 2.469 238 R HA 0.339 4.680 4.340 0.001 0.000 0.250 238 R C 0.329 176.572 176.300 -0.095 0.000 0.909 238 R CA 0.003 56.072 56.100 -0.052 0.000 1.050 238 R CB 0.969 31.258 30.300 -0.017 0.000 1.256 238 R HN 0.833 nan 8.270 nan 0.000 0.550 239 E N 0.440 120.571 120.200 -0.114 0.000 2.352 239 E HA 0.442 4.793 4.350 0.001 0.000 0.280 239 E C -1.446 175.059 176.600 -0.158 0.000 0.930 239 E CA -0.456 55.858 56.400 -0.142 0.000 0.765 239 E CB 1.965 31.624 29.700 -0.069 0.000 1.219 239 E HN -0.071 nan 8.360 nan 0.000 0.434 240 I N 3.864 124.301 120.570 -0.222 0.000 2.468 240 I HA 0.334 4.504 4.170 0.001 0.000 0.285 240 I C -0.699 175.472 176.117 0.090 0.000 1.039 240 I CA -0.716 60.511 61.300 -0.122 0.000 1.074 240 I CB 1.716 39.539 38.000 -0.296 0.000 1.228 240 I HN 0.271 nan 8.210 nan 0.000 0.436 241 K N 6.819 127.287 120.400 0.114 0.000 2.182 241 K HA 0.632 4.952 4.320 0.001 0.000 0.262 241 K C -1.424 175.304 176.600 0.213 0.000 0.957 241 K CA -0.697 55.658 56.287 0.115 0.000 0.842 241 K CB 2.054 34.562 32.500 0.014 0.000 1.099 241 K HN 0.494 nan 8.250 nan 0.000 0.438 242 Y N -1.750 118.566 120.300 0.027 0.000 2.571 242 Y HA 0.598 5.149 4.550 0.001 0.000 0.341 242 Y C -0.501 175.405 175.900 0.010 0.000 1.076 242 Y CA -1.109 57.002 58.100 0.018 0.000 1.029 242 Y CB 1.585 40.070 38.460 0.042 0.000 1.308 242 Y HN 0.635 nan 8.280 nan 0.000 0.461 243 S N -0.059 115.679 115.700 0.062 0.000 2.794 243 S HA 0.612 5.082 4.470 0.001 0.000 0.299 243 S C -2.689 171.942 174.600 0.051 0.000 1.179 243 S CA -1.637 56.553 58.200 -0.017 0.000 0.838 243 S CB 1.703 64.883 63.200 -0.035 0.000 1.206 243 S HN 0.416 nan 8.310 nan 0.000 0.523 244 P HA 0.178 nan 4.420 nan 0.000 0.226 244 P C 1.125 178.427 177.300 0.003 0.000 1.153 244 P CA 1.153 64.274 63.100 0.036 0.000 0.777 244 P CB -0.312 31.404 31.700 0.028 0.000 0.794 245 G N -1.968 106.822 108.800 -0.016 0.000 2.921 245 G HA2 0.464 4.424 3.960 0.001 0.000 0.213 245 G HA3 0.464 4.424 3.960 0.001 0.000 0.213 245 G C 0.570 175.415 174.900 -0.092 0.000 1.143 245 G CA 0.494 45.566 45.100 -0.046 0.000 0.764 245 G HN 0.509 nan 8.290 nan 0.000 0.542 246 G N -1.262 107.493 108.800 -0.074 0.000 2.325 246 G HA2 0.539 4.500 3.960 0.001 0.000 0.295 246 G HA3 0.539 4.500 3.960 0.001 0.000 0.295 246 G C -1.609 173.279 174.900 -0.020 0.000 1.274 246 G CA 0.258 45.294 45.100 -0.108 0.000 0.857 246 G HN 1.102 nan 8.290 nan 0.000 0.499 247 V N -3.531 116.377 119.914 -0.009 0.000 3.159 247 V HA 0.987 5.108 4.120 0.001 0.000 0.308 247 V C -0.635 175.483 176.094 0.039 0.000 1.190 247 V CA -0.623 61.709 62.300 0.053 0.000 1.037 247 V CB 1.562 33.428 31.823 0.071 0.000 1.060 247 V HN 1.163 nan 8.190 nan 0.000 0.437 248 T N 1.573 116.159 114.554 0.052 0.000 2.921 248 T HA 0.712 5.063 4.350 0.001 0.000 0.297 248 T C -1.004 173.725 174.700 0.048 0.000 1.013 248 T CA -0.416 61.709 62.100 0.043 0.000 0.990 248 T CB 1.645 70.524 68.868 0.018 0.000 1.023 248 T HN 0.841 nan 8.240 nan 0.000 0.447 249 V N 3.983 123.943 119.914 0.076 0.000 2.531 249 V HA 0.497 4.617 4.120 0.001 0.000 0.301 249 V C -0.448 175.724 176.094 0.129 0.000 1.034 249 V CA -0.936 61.406 62.300 0.071 0.000 0.865 249 V CB 1.893 33.755 31.823 0.065 0.000 0.995 249 V HN 0.725 nan 8.190 nan 0.000 0.424 250 K N 2.757 123.190 120.400 0.054 0.000 2.244 250 K HA 0.679 5.000 4.320 0.001 0.000 0.260 250 K C -0.052 176.578 176.600 0.051 0.000 0.951 250 K CA -0.574 55.740 56.287 0.044 0.000 0.826 250 K CB 2.073 34.568 32.500 -0.008 0.000 1.108 250 K HN 0.825 nan 8.250 nan 0.000 0.433 251 T N -1.822 112.786 114.554 0.090 0.000 2.944 251 T HA 0.165 4.515 4.350 0.001 0.000 0.284 251 T C 1.106 175.824 174.700 0.031 0.000 1.010 251 T CA -0.865 61.276 62.100 0.068 0.000 1.025 251 T CB 1.690 70.637 68.868 0.132 0.000 1.079 251 T HN 0.692 nan 8.240 nan 0.000 0.516 252 E N 0.385 120.597 120.200 0.021 0.000 2.204 252 E HA -0.195 4.155 4.350 0.001 0.000 0.195 252 E C 1.013 177.623 176.600 0.017 0.000 0.990 252 E CA 1.407 57.819 56.400 0.019 0.000 0.821 252 E CB -0.115 29.606 29.700 0.034 0.000 0.750 252 E HN 0.804 nan 8.360 nan 0.000 0.477 253 D N -0.744 119.668 120.400 0.020 0.000 2.338 253 D HA -0.095 4.545 4.640 0.001 0.000 0.239 253 D C 0.155 176.455 176.300 -0.001 0.000 1.095 253 D CA 0.246 54.254 54.000 0.014 0.000 0.888 253 D CB -0.405 40.407 40.800 0.021 0.000 0.899 253 D HN 0.257 nan 8.370 nan 0.000 0.525 254 N N -1.380 117.316 118.700 -0.007 0.000 2.984 254 N HA -0.156 4.584 4.740 0.001 0.000 0.227 254 N C -0.666 174.800 175.510 -0.073 0.000 0.903 254 N CA 0.694 53.724 53.050 -0.033 0.000 0.995 254 N CB -1.201 37.267 38.487 -0.033 0.000 1.065 254 N HN 0.160 nan 8.380 nan 0.000 0.585 255 S N 0.502 116.156 115.700 -0.076 0.000 2.589 255 S HA 0.412 4.883 4.470 0.001 0.000 0.265 255 S C 0.385 174.784 174.600 -0.334 0.000 1.342 255 S CA -0.142 57.906 58.200 -0.254 0.000 1.005 255 S CB 2.324 65.352 63.200 -0.286 0.000 0.909 255 S HN 0.168 nan 8.310 nan 0.000 0.555 256 V N 1.855 121.417 119.914 -0.586 0.000 2.686 256 V HA 0.495 4.616 4.120 0.001 0.000 0.306 256 V C -1.587 174.162 176.094 -0.575 0.000 1.065 256 V CA -0.680 61.403 62.300 -0.361 0.000 0.894 256 V CB 1.374 33.079 31.823 -0.198 0.000 1.004 256 V HN 0.844 nan 8.190 nan 0.000 0.424 257 Y N 0.948 121.230 120.300 -0.029 0.000 2.570 257 Y HA 0.753 5.303 4.550 0.001 0.000 0.345 257 Y C 0.361 176.247 175.900 -0.023 0.000 1.014 257 Y CA -0.806 57.278 58.100 -0.026 0.000 1.063 257 Y CB 2.501 40.943 38.460 -0.029 0.000 1.272 257 Y HN 0.522 nan 8.280 nan 0.000 0.477 258 S N 0.724 116.503 115.700 0.133 0.000 2.542 258 S HA 0.956 5.426 4.470 0.001 0.000 0.293 258 S C -0.912 173.723 174.600 0.058 0.000 1.089 258 S CA -0.620 57.618 58.200 0.064 0.000 0.961 258 S CB 1.857 65.073 63.200 0.027 0.000 1.062 258 S HN 0.864 nan 8.310 nan 0.000 0.483 259 A N 1.139 123.977 122.820 0.029 0.000 2.536 259 A HA 0.648 4.969 4.320 0.001 0.000 0.293 259 A C -0.614 176.951 177.584 -0.032 0.000 1.119 259 A CA -0.605 51.443 52.037 0.018 0.000 0.654 259 A CB 0.343 19.363 19.000 0.034 0.000 1.291 259 A HN 0.609 nan 8.150 nan 0.000 0.439 260 D N -1.024 119.345 120.400 -0.052 0.000 2.249 260 D HA 0.176 4.816 4.640 0.001 0.000 0.205 260 D C -0.502 175.434 176.300 -0.606 0.000 0.962 260 D CA 1.965 55.807 54.000 -0.264 0.000 0.860 260 D CB 0.104 40.815 40.800 -0.149 0.000 0.955 260 D HN 0.444 nan 8.370 nan 0.000 0.505 261 Y N -1.347 118.959 120.300 0.010 0.000 2.625 261 Y HA 0.426 4.976 4.550 0.001 0.000 0.338 261 Y C -0.670 175.225 175.900 -0.008 0.000 1.123 261 Y CA -1.113 56.999 58.100 0.020 0.000 1.046 261 Y CB 2.314 40.742 38.460 -0.052 0.000 1.299 261 Y HN -0.375 nan 8.280 nan 0.000 0.464 262 V N 3.001 123.029 119.914 0.189 0.000 2.709 262 V HA 0.693 4.813 4.120 0.001 0.000 0.308 262 V C -1.545 174.560 176.094 0.017 0.000 1.062 262 V CA -0.742 61.588 62.300 0.050 0.000 0.901 262 V CB 1.862 33.682 31.823 -0.005 0.000 1.003 262 V HN 0.748 nan 8.190 nan 0.000 0.425 263 M N 7.508 127.082 119.600 -0.044 0.000 2.078 263 M HA 0.594 5.075 4.480 0.001 0.000 0.320 263 M C -1.454 174.790 176.300 -0.093 0.000 0.969 263 M CA -0.172 55.086 55.300 -0.070 0.000 0.929 263 M CB 1.348 33.898 32.600 -0.083 0.000 1.504 263 M HN 0.367 nan 8.290 nan 0.000 0.419 264 V N 4.784 124.604 119.914 -0.157 0.000 2.368 264 V HA 0.336 4.456 4.120 0.001 0.000 0.266 264 V C 0.747 176.889 176.094 0.079 0.000 1.045 264 V CA 0.128 62.398 62.300 -0.050 0.000 0.899 264 V CB 0.396 32.194 31.823 -0.042 0.000 1.006 264 V HN 1.009 nan 8.190 nan 0.000 0.470 265 S N 3.410 119.149 115.700 0.065 0.000 2.539 265 S HA 0.350 4.820 4.470 0.001 0.000 0.221 265 S C 0.895 175.584 174.600 0.148 0.000 0.987 265 S CA 0.260 58.519 58.200 0.098 0.000 0.929 265 S CB 0.280 63.502 63.200 0.038 0.000 0.832 265 S HN 0.906 nan 8.310 nan 0.000 0.492 266 A N 2.479 125.375 122.820 0.127 0.000 2.448 266 A HA 0.554 4.874 4.320 0.001 0.000 0.239 266 A C 0.842 178.514 177.584 0.147 0.000 1.080 266 A CA 0.148 52.240 52.037 0.090 0.000 0.779 266 A CB -0.146 18.884 19.000 0.050 0.000 1.026 266 A HN 0.980 nan 8.150 nan 0.000 0.499 267 S N 0.892 116.639 115.700 0.078 0.000 2.569 267 S HA 0.094 4.564 4.470 0.001 0.000 0.274 267 S C 1.084 175.527 174.600 -0.262 0.000 1.353 267 S CA 0.229 58.428 58.200 -0.001 0.000 1.023 267 S CB 0.265 63.517 63.200 0.087 0.000 0.876 267 S HN 1.430 nan 8.310 nan 0.000 0.540 268 L N 3.098 123.947 121.223 -0.623 0.000 2.042 268 L HA 0.131 4.472 4.340 0.001 0.000 0.210 268 L C 2.338 179.070 176.870 -0.230 0.000 1.076 268 L CA 2.528 57.002 54.840 -0.611 0.000 0.749 268 L CB -1.592 40.202 42.059 -0.443 0.000 0.893 268 L HN 0.973 nan 8.230 nan 0.000 0.432 269 G N -1.003 107.744 108.800 -0.089 0.000 2.418 269 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 269 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 269 G C 1.545 176.452 174.900 0.011 0.000 1.158 269 G CA 1.076 46.188 45.100 0.020 0.000 0.771 269 G HN 0.343 nan 8.290 nan 0.000 0.545 270 V N 1.018 120.934 119.914 0.002 0.000 2.295 270 V HA -0.137 3.983 4.120 0.001 0.000 0.246 270 V C 2.931 179.033 176.094 0.013 0.000 1.049 270 V CA 1.516 63.826 62.300 0.017 0.000 1.024 270 V CB -0.434 31.401 31.823 0.020 0.000 0.648 270 V HN 0.357 nan 8.190 nan 0.000 0.447 271 L N -0.560 120.643 121.223 -0.034 0.000 2.127 271 L HA -0.257 4.083 4.340 0.001 0.000 0.211 271 L C 2.575 179.368 176.870 -0.128 0.000 1.089 271 L CA 1.634 56.449 54.840 -0.042 0.000 0.757 271 L CB -0.580 41.389 42.059 -0.151 0.000 0.899 271 L HN 0.415 nan 8.230 nan 0.000 0.434 272 Q N -0.416 119.280 119.800 -0.173 0.000 2.378 272 Q HA -0.036 4.304 4.340 0.001 0.000 0.205 272 Q C 1.210 177.304 176.000 0.157 0.000 0.954 272 Q CA 0.600 56.296 55.803 -0.179 0.000 0.901 272 Q CB 0.150 28.851 28.738 -0.062 0.000 0.981 272 Q HN 0.572 nan 8.270 nan 0.000 0.483 273 S N -0.105 115.651 115.700 0.094 0.000 2.686 273 S HA 0.125 4.596 4.470 0.001 0.000 0.270 273 S C 0.219 174.887 174.600 0.113 0.000 1.194 273 S CA -0.747 57.515 58.200 0.104 0.000 0.990 273 S CB 0.912 64.138 63.200 0.043 0.000 1.029 273 S HN -0.042 nan 8.310 nan 0.000 0.560 274 D N 0.306 120.757 120.400 0.085 0.000 2.587 274 D HA 0.206 4.846 4.640 0.001 0.000 0.233 274 D C 1.084 177.420 176.300 0.061 0.000 1.213 274 D CA -0.178 53.878 54.000 0.093 0.000 0.827 274 D CB 0.044 40.897 40.800 0.087 0.000 1.006 274 D HN 0.402 nan 8.370 nan 0.000 0.490 275 L N 0.282 121.535 121.223 0.050 0.000 1.989 275 L HA -0.050 4.290 4.340 0.001 0.000 0.211 275 L C 0.634 177.510 176.870 0.010 0.000 1.071 275 L CA 1.607 56.467 54.840 0.032 0.000 0.749 275 L CB 0.018 42.105 42.059 0.046 0.000 0.890 275 L HN -0.008 nan 8.230 nan 0.000 0.431 276 I N 0.506 121.077 120.570 0.001 0.000 2.304 276 I HA 0.158 4.328 4.170 0.001 0.000 0.291 276 I C 0.026 176.056 176.117 -0.144 0.000 1.018 276 I CA -0.240 60.985 61.300 -0.126 0.000 1.260 276 I CB 1.049 38.911 38.000 -0.231 0.000 1.390 276 I HN 0.237 nan 8.210 nan 0.000 0.475 277 Q N 6.587 126.297 119.800 -0.151 0.000 2.279 277 Q HA 0.364 4.705 4.340 0.001 0.000 0.256 277 Q C -1.554 174.350 176.000 -0.159 0.000 0.937 277 Q CA -0.387 55.383 55.803 -0.055 0.000 0.933 277 Q CB 0.910 29.636 28.738 -0.020 0.000 1.189 277 Q HN 0.445 nan 8.270 nan 0.000 0.417 278 F N 3.034 123.040 119.950 0.094 0.000 2.404 278 F HA 0.439 4.966 4.527 0.001 0.000 0.339 278 F C 0.168 176.070 175.800 0.170 0.000 1.105 278 F CA -0.432 57.672 58.000 0.174 0.000 1.087 278 F CB 1.571 40.682 39.000 0.185 0.000 1.143 278 F HN 0.442 nan 8.300 nan 0.000 0.491 279 K N 5.451 126.054 120.400 0.338 0.000 2.652 279 K HA 0.368 4.688 4.320 0.001 0.000 0.249 279 K C -2.930 173.515 176.600 -0.259 0.000 0.986 279 K CA -2.008 54.318 56.287 0.065 0.000 0.867 279 K CB 1.820 34.330 32.500 0.018 0.000 1.201 279 K HN 0.164 nan 8.250 nan 0.000 0.450 280 P HA 0.057 nan 4.420 nan 0.000 0.273 280 P C -0.914 176.458 177.300 0.120 0.000 1.250 280 P CA -0.333 62.693 63.100 -0.122 0.000 0.793 280 P CB 0.686 32.290 31.700 -0.160 0.000 1.011 281 K N 0.274 120.743 120.400 0.114 0.000 2.469 281 K HA 0.087 4.408 4.320 0.001 0.000 0.274 281 K C 0.339 177.012 176.600 0.122 0.000 0.983 281 K CA -0.422 55.955 56.287 0.150 0.000 0.974 281 K CB -0.195 32.349 32.500 0.073 0.000 0.913 281 K HN 0.270 nan 8.250 nan 0.000 0.493 282 L N 3.662 124.901 121.223 0.026 0.000 2.483 282 L HA 0.085 4.425 4.340 0.001 0.000 0.275 282 L C -1.936 174.804 176.870 -0.216 0.000 1.220 282 L CA -1.674 53.059 54.840 -0.180 0.000 0.833 282 L CB -0.631 41.168 42.059 -0.434 0.000 1.102 282 L HN 0.538 nan 8.230 nan 0.000 0.490 283 P HA 0.138 nan 4.420 nan 0.000 0.272 283 P C 0.728 177.776 177.300 -0.420 0.000 1.223 283 P CA -0.189 62.707 63.100 -0.339 0.000 0.784 283 P CB 0.337 31.777 31.700 -0.432 0.000 0.923 284 T N 0.587 115.041 114.554 -0.166 0.000 2.699 284 T HA -0.170 4.181 4.350 0.001 0.000 0.268 284 T C 1.460 176.133 174.700 -0.046 0.000 1.036 284 T CA 1.605 63.662 62.100 -0.072 0.000 1.147 284 T CB -0.644 68.244 68.868 0.033 0.000 0.862 284 T HN 0.641 nan 8.240 nan 0.000 0.446 285 W N 2.403 123.698 121.300 -0.007 0.000 2.342 285 W HA -0.113 4.548 4.660 0.001 0.000 0.297 285 W C 1.944 178.421 176.519 -0.070 0.000 1.213 285 W CA 1.258 58.593 57.345 -0.016 0.000 1.251 285 W CB -0.749 28.706 29.460 -0.008 0.000 1.136 285 W HN 0.163 nan 8.180 nan 0.000 0.526 286 K N 1.729 121.550 120.400 -0.965 0.000 2.031 286 K HA -0.092 4.228 4.320 0.001 0.000 0.205 286 K C 1.955 178.248 176.600 -0.512 0.000 1.049 286 K CA 2.298 57.938 56.287 -1.077 0.000 0.939 286 K CB -0.902 30.602 32.500 -1.660 0.000 0.717 286 K HN 0.052 nan 8.250 nan 0.000 0.438 287 V N 1.546 121.232 119.914 -0.380 0.000 2.392 287 V HA -0.217 3.904 4.120 0.001 0.000 0.249 287 V C 2.436 178.540 176.094 0.018 0.000 1.059 287 V CA 2.083 64.296 62.300 -0.145 0.000 1.051 287 V CB -0.496 31.312 31.823 -0.025 0.000 0.658 287 V HN 0.321 nan 8.190 nan 0.000 0.455 288 R N -0.161 120.350 120.500 0.019 0.000 2.092 288 R HA -0.060 4.280 4.340 0.001 0.000 0.231 288 R C 2.445 178.783 176.300 0.065 0.000 1.119 288 R CA 1.322 57.478 56.100 0.092 0.000 0.970 288 R CB -0.502 29.859 30.300 0.102 0.000 0.864 288 R HN 0.541 nan 8.270 nan 0.000 0.440 289 A N 1.334 124.155 122.820 0.002 0.000 1.902 289 A HA -0.141 4.179 4.320 0.001 0.000 0.217 289 A C 2.129 179.649 177.584 -0.106 0.000 1.181 289 A CA 1.126 53.143 52.037 -0.033 0.000 0.623 289 A CB -0.451 18.501 19.000 -0.080 0.000 0.818 289 A HN 0.163 nan 8.150 nan 0.000 0.443 290 I N -1.937 118.495 120.570 -0.230 0.000 2.163 290 I HA -0.306 3.865 4.170 0.001 0.000 0.243 290 I C 2.292 178.219 176.117 -0.317 0.000 1.085 290 I CA 1.678 62.757 61.300 -0.368 0.000 1.347 290 I CB -0.346 37.303 38.000 -0.585 0.000 1.044 290 I HN 0.446 nan 8.210 nan 0.000 0.408 291 Y N 0.198 120.474 120.300 -0.041 0.000 2.516 291 Y HA -0.118 4.433 4.550 0.001 0.000 0.291 291 Y C 2.572 178.486 175.900 0.024 0.000 1.131 291 Y CA 0.595 58.692 58.100 -0.004 0.000 1.281 291 Y CB -0.113 38.341 38.460 -0.009 0.000 1.013 291 Y HN 0.208 nan 8.280 nan 0.000 0.554 292 Q N -0.822 119.070 119.800 0.154 0.000 2.245 292 Q HA -0.079 4.261 4.340 0.001 0.000 0.201 292 Q C 0.226 176.300 176.000 0.122 0.000 0.955 292 Q CA 0.403 56.283 55.803 0.129 0.000 0.870 292 Q CB 0.067 28.878 28.738 0.121 0.000 0.945 292 Q HN 0.288 nan 8.270 nan 0.000 0.461 293 F N 1.391 121.303 119.950 -0.063 0.000 2.403 293 F HA 0.050 4.577 4.527 0.001 0.000 0.320 293 F C 0.084 175.858 175.800 -0.044 0.000 1.176 293 F CA -0.347 57.596 58.000 -0.094 0.000 1.206 293 F CB 0.781 39.706 39.000 -0.125 0.000 1.235 293 F HN -0.124 nan 8.300 nan 0.000 0.565 294 D N 2.854 123.089 120.400 -0.274 0.000 2.163 294 D HA 0.296 4.936 4.640 0.001 0.000 0.248 294 D C -0.842 175.461 176.300 0.006 0.000 1.035 294 D CA -0.249 53.683 54.000 -0.113 0.000 0.872 294 D CB 1.687 42.378 40.800 -0.182 0.000 1.183 294 D HN 0.304 nan 8.370 nan 0.000 0.445 295 M N 2.427 122.048 119.600 0.034 0.000 2.066 295 M HA 0.566 5.047 4.480 0.001 0.000 0.340 295 M C -0.911 175.381 176.300 -0.013 0.000 1.053 295 M CA -0.502 54.826 55.300 0.046 0.000 0.983 295 M CB 0.890 33.528 32.600 0.064 0.000 1.520 295 M HN 0.384 nan 8.290 nan 0.000 0.428 296 A N 4.179 126.948 122.820 -0.086 0.000 2.239 296 A HA 0.900 5.220 4.320 0.001 0.000 0.303 296 A C -1.023 176.388 177.584 -0.289 0.000 1.114 296 A CA -0.655 51.276 52.037 -0.178 0.000 0.871 296 A CB 0.902 19.802 19.000 -0.168 0.000 1.201 296 A HN 0.715 nan 8.150 nan 0.000 0.506 297 V N -0.549 119.214 119.914 -0.252 0.000 2.760 297 V HA 0.467 4.587 4.120 0.001 0.000 0.309 297 V C -1.392 174.643 176.094 -0.099 0.000 1.077 297 V CA -0.314 61.882 62.300 -0.174 0.000 0.910 297 V CB 1.493 33.266 31.823 -0.083 0.000 1.008 297 V HN 0.819 nan 8.190 nan 0.000 0.424 298 Y N 2.052 122.222 120.300 -0.216 0.000 2.322 298 Y HA 0.609 5.160 4.550 0.001 0.000 0.324 298 Y C -0.257 175.703 175.900 0.100 0.000 1.027 298 Y CA -0.181 57.895 58.100 -0.041 0.000 1.179 298 Y CB 1.946 40.385 38.460 -0.034 0.000 1.136 298 Y HN 0.658 nan 8.280 nan 0.000 0.449 299 T N 6.742 121.340 114.554 0.073 0.000 2.756 299 T HA 0.308 4.658 4.350 0.001 0.000 0.290 299 T C -0.612 174.102 174.700 0.023 0.000 0.985 299 T CA -0.827 61.361 62.100 0.147 0.000 0.955 299 T CB 0.552 69.477 68.868 0.095 0.000 0.930 299 T HN 0.487 nan 8.240 nan 0.000 0.451 300 K N 3.825 124.320 120.400 0.157 0.000 2.206 300 K HA 0.338 4.659 4.320 0.001 0.000 0.268 300 K C -0.235 176.307 176.600 -0.097 0.000 1.111 300 K CA -0.203 56.093 56.287 0.015 0.000 0.955 300 K CB 0.213 32.870 32.500 0.262 0.000 1.406 300 K HN 0.581 nan 8.250 nan 0.000 0.427 301 I N 4.095 124.544 120.570 -0.202 0.000 2.308 301 I HA 0.131 4.301 4.170 0.001 0.000 0.293 301 I C -0.151 175.791 176.117 -0.290 0.000 1.078 301 I CA -0.401 60.806 61.300 -0.155 0.000 1.292 301 I CB -0.021 37.914 38.000 -0.108 0.000 1.423 301 I HN 0.256 nan 8.210 nan 0.000 0.493 302 F N 6.751 126.554 119.950 -0.244 0.000 2.385 302 F HA 0.564 5.091 4.527 0.001 0.000 0.336 302 F C 0.095 175.717 175.800 -0.297 0.000 1.100 302 F CA -0.428 57.368 58.000 -0.341 0.000 1.116 302 F CB 1.074 39.571 39.000 -0.838 0.000 1.166 302 F HN 0.208 nan 8.300 nan 0.000 0.511 303 L N 2.907 124.252 121.223 0.203 0.000 2.410 303 L HA 0.493 4.833 4.340 0.001 0.000 0.270 303 L C -0.808 176.199 176.870 0.229 0.000 0.983 303 L CA -0.999 53.940 54.840 0.165 0.000 0.822 303 L CB 2.136 44.207 42.059 0.021 0.000 1.285 303 L HN 0.376 nan 8.230 nan 0.000 0.409 304 K N 2.406 122.846 120.400 0.067 0.000 2.244 304 K HA 0.729 5.050 4.320 0.001 0.000 0.260 304 K C -1.618 174.801 176.600 -0.302 0.000 0.951 304 K CA -0.099 56.177 56.287 -0.019 0.000 0.826 304 K CB 0.886 33.259 32.500 -0.211 0.000 1.108 304 K HN 0.252 nan 8.250 nan 0.000 0.433 305 F N 4.542 124.658 119.950 0.277 0.000 2.593 305 F HA 0.430 4.958 4.527 0.001 0.000 0.320 305 F C -1.402 174.512 175.800 0.189 0.000 1.060 305 F CA -2.102 56.065 58.000 0.278 0.000 0.940 305 F CB 2.089 41.370 39.000 0.469 0.000 1.268 305 F HN 0.496 nan 8.300 nan 0.000 0.475 306 P HA -0.037 nan 4.420 nan 0.000 0.229 306 P C -0.606 176.787 177.300 0.155 0.000 1.160 306 P CA 0.998 64.208 63.100 0.185 0.000 0.777 306 P CB 0.350 32.132 31.700 0.137 0.000 0.814 307 R N -2.081 118.536 120.500 0.195 0.000 2.690 307 R HA 0.467 4.808 4.340 0.001 0.000 0.269 307 R C -1.145 175.129 176.300 -0.042 0.000 1.037 307 R CA -1.012 55.114 56.100 0.043 0.000 0.877 307 R CB 0.968 31.269 30.300 0.002 0.000 1.255 307 R HN -0.286 nan 8.270 nan 0.000 0.467 308 K N 1.127 121.285 120.400 -0.404 0.000 2.154 308 K HA 0.307 4.627 4.320 0.001 0.000 0.264 308 K C -0.270 175.734 176.600 -0.993 0.000 1.008 308 K CA -0.250 55.267 56.287 -1.285 0.000 0.937 308 K CB 0.494 32.133 32.500 -1.435 0.000 1.002 308 K HN 0.636 nan 8.250 nan 0.000 0.469 309 F N -1.915 117.338 119.950 -1.162 0.000 2.960 309 F HA 0.297 4.824 4.527 0.001 0.000 0.345 309 F C -0.598 174.734 175.800 -0.779 0.000 1.147 309 F CA -1.271 56.313 58.000 -0.695 0.000 1.099 309 F CB -0.313 38.393 39.000 -0.491 0.000 1.219 309 F HN 0.485 nan 8.300 nan 0.000 0.525 310 W N 1.188 121.784 121.300 -1.172 0.000 2.578 310 W HA 0.912 5.572 4.660 0.001 0.000 0.364 310 W C -2.914 173.258 176.519 -0.577 0.000 1.144 310 W CA -2.747 53.917 57.345 -1.136 0.000 1.242 310 W CB -0.683 28.036 29.460 -1.236 0.000 1.382 310 W HN -0.335 nan 8.180 nan 0.000 0.625 311 P HA 0.247 nan 4.420 nan 0.000 0.274 311 P C -1.014 176.255 177.300 -0.053 0.000 1.231 311 P CA -0.249 62.778 63.100 -0.122 0.000 0.790 311 P CB 0.984 32.673 31.700 -0.019 0.000 0.951 312 E N 0.116 120.256 120.200 -0.100 0.000 2.343 312 E HA 0.709 5.059 4.350 0.001 0.000 0.270 312 E C -0.442 176.114 176.600 -0.074 0.000 0.895 312 E CA -0.894 55.471 56.400 -0.058 0.000 0.767 312 E CB 2.171 31.815 29.700 -0.094 0.000 1.248 312 E HN 0.686 nan 8.360 nan 0.000 0.440 313 G N 1.353 110.107 108.800 -0.078 0.000 2.361 313 G HA2 -0.060 3.901 3.960 0.001 0.000 0.331 313 G HA3 -0.060 3.901 3.960 0.001 0.000 0.331 313 G C -1.305 173.512 174.900 -0.140 0.000 1.324 313 G CA -1.092 43.952 45.100 -0.094 0.000 0.984 313 G HN 0.425 nan 8.290 nan 0.000 0.586 314 K N 0.218 120.511 120.400 -0.178 0.000 2.472 314 K HA 0.403 4.724 4.320 0.001 0.000 0.280 314 K C 1.518 177.827 176.600 -0.485 0.000 1.028 314 K CA 1.660 57.748 56.287 -0.331 0.000 1.045 314 K CB -0.044 32.268 32.500 -0.314 0.000 0.902 314 K HN 2.336 nan 8.250 nan 0.000 0.478 315 G N 3.869 112.275 108.800 -0.655 0.000 2.189 315 G HA2 -0.289 3.672 3.960 0.001 0.000 0.267 315 G HA3 -0.289 3.672 3.960 0.001 0.000 0.267 315 G C 0.788 175.644 174.900 -0.073 0.000 0.975 315 G CA 0.332 45.125 45.100 -0.511 0.000 0.644 315 G HN 0.665 nan 8.290 nan 0.000 0.537 316 R N 0.410 120.857 120.500 -0.089 0.000 2.275 316 R HA 0.146 4.487 4.340 0.001 0.000 0.199 316 R C 2.036 178.361 176.300 0.043 0.000 0.989 316 R CA 0.995 57.098 56.100 0.005 0.000 1.016 316 R CB -0.465 29.818 30.300 -0.029 0.000 0.918 316 R HN 0.772 nan 8.270 nan 0.000 0.473 317 E N 0.045 120.189 120.200 -0.093 0.000 2.070 317 E HA -0.148 4.203 4.350 0.001 0.000 0.197 317 E C -0.534 175.836 176.600 -0.384 0.000 1.004 317 E CA 1.083 57.265 56.400 -0.364 0.000 0.805 317 E CB 0.096 29.383 29.700 -0.688 0.000 0.744 317 E HN 0.113 nan 8.360 nan 0.000 0.451 318 F N -0.151 119.892 119.950 0.156 0.000 2.469 318 F HA 0.402 4.929 4.527 0.001 0.000 0.332 318 F C -0.328 175.701 175.800 0.383 0.000 1.103 318 F CA -1.189 56.927 58.000 0.193 0.000 0.979 318 F CB 1.422 40.543 39.000 0.202 0.000 1.137 318 F HN -0.079 nan 8.300 nan 0.000 0.463 319 F N 0.687 120.842 119.950 0.341 0.000 2.626 319 F HA 0.867 5.394 4.527 0.001 0.000 0.311 319 F C -1.942 174.084 175.800 0.376 0.000 1.088 319 F CA -1.390 56.811 58.000 0.335 0.000 0.949 319 F CB 1.410 40.640 39.000 0.384 0.000 1.322 319 F HN 0.170 nan 8.300 nan 0.000 0.461 320 L N 1.510 123.043 121.223 0.517 0.000 2.323 320 L HA 0.508 4.848 4.340 0.001 0.000 0.265 320 L C -1.722 175.488 176.870 0.566 0.000 1.012 320 L CA -1.246 53.845 54.840 0.418 0.000 0.820 320 L CB 2.470 44.678 42.059 0.248 0.000 1.334 320 L HN 0.732 nan 8.230 nan 0.000 0.427 321 Y N 1.116 121.627 120.300 0.352 0.000 2.338 321 Y HA 0.583 5.134 4.550 0.001 0.000 0.328 321 Y C -0.083 175.973 175.900 0.259 0.000 0.965 321 Y CA -1.308 56.980 58.100 0.312 0.000 1.208 321 Y CB 1.641 40.304 38.460 0.339 0.000 1.132 321 Y HN 0.549 nan 8.280 nan 0.000 0.469 322 A N 5.002 127.770 122.820 -0.087 0.000 2.990 322 A HA 0.349 4.670 4.320 0.001 0.000 0.282 322 A C 0.447 177.811 177.584 -0.367 0.000 1.688 322 A CA 0.071 52.045 52.037 -0.104 0.000 1.391 322 A CB -0.868 18.226 19.000 0.158 0.000 1.112 322 A HN 0.646 nan 8.150 nan 0.000 0.588 323 S N 0.916 116.356 115.700 -0.434 0.000 2.585 323 S HA 0.224 4.694 4.470 0.001 0.000 0.273 323 S C 1.597 176.142 174.600 -0.092 0.000 1.339 323 S CA 0.084 58.105 58.200 -0.299 0.000 1.028 323 S CB 0.566 63.799 63.200 0.056 0.000 0.906 323 S HN 1.074 nan 8.310 nan 0.000 0.528 324 S N 3.017 118.690 115.700 -0.046 0.000 2.522 324 S HA 0.064 4.534 4.470 0.001 0.000 0.227 324 S C 0.790 175.381 174.600 -0.014 0.000 0.986 324 S CA 0.035 58.226 58.200 -0.015 0.000 0.929 324 S CB -0.201 62.996 63.200 -0.005 0.000 0.769 324 S HN 0.713 nan 8.310 nan 0.000 0.529 325 R N 2.181 122.670 120.500 -0.019 0.000 2.204 325 R HA 0.299 4.639 4.340 0.001 0.000 0.341 325 R C -0.070 176.243 176.300 0.021 0.000 1.035 325 R CA -0.675 55.406 56.100 -0.031 0.000 0.887 325 R CB 0.488 30.704 30.300 -0.139 0.000 1.114 325 R HN 0.268 nan 8.270 nan 0.000 0.473 326 R N 2.769 123.281 120.500 0.019 0.000 2.537 326 R HA -0.039 4.301 4.340 0.001 0.000 0.281 326 R C 0.584 176.883 176.300 -0.002 0.000 0.988 326 R CA 1.791 57.909 56.100 0.031 0.000 1.077 326 R CB 0.211 30.553 30.300 0.071 0.000 0.932 326 R HN 0.974 nan 8.270 nan 0.000 0.409 327 G N 2.995 111.686 108.800 -0.181 0.000 2.162 327 G HA2 -0.339 3.622 3.960 0.001 0.000 0.260 327 G HA3 -0.339 3.622 3.960 0.001 0.000 0.260 327 G C -0.393 174.308 174.900 -0.332 0.000 0.976 327 G CA 0.422 45.196 45.100 -0.544 0.000 0.655 327 G HN 0.702 nan 8.290 nan 0.000 0.533 328 Y N 1.143 121.296 120.300 -0.245 0.000 2.539 328 Y HA 0.440 4.990 4.550 0.001 0.000 0.352 328 Y C 1.140 177.034 175.900 -0.011 0.000 1.004 328 Y CA -0.736 57.260 58.100 -0.173 0.000 1.278 328 Y CB -0.621 37.856 38.460 0.027 0.000 1.136 328 Y HN 0.362 nan 8.280 nan 0.000 0.528 329 Y N 2.626 122.713 120.300 -0.355 0.000 3.054 329 Y HA -0.337 4.214 4.550 0.001 0.000 0.210 329 Y C 1.621 177.517 175.900 -0.008 0.000 1.212 329 Y CA 0.498 58.413 58.100 -0.309 0.000 1.118 329 Y CB -1.144 37.127 38.460 -0.314 0.000 1.292 329 Y HN 0.824 nan 8.280 nan 0.000 0.533 330 G N -0.726 108.035 108.800 -0.066 0.000 2.492 330 G HA2 0.198 4.159 3.960 0.001 0.000 0.214 330 G HA3 0.198 4.159 3.960 0.001 0.000 0.214 330 G C 0.241 175.197 174.900 0.092 0.000 1.147 330 G CA 0.651 45.791 45.100 0.068 0.000 0.809 330 G HN 0.185 nan 8.290 nan 0.000 0.533 331 V N 0.770 120.577 119.914 -0.178 0.000 2.384 331 V HA 0.518 4.639 4.120 0.001 0.000 0.287 331 V C -1.071 174.775 176.094 -0.412 0.000 1.020 331 V CA -1.012 61.178 62.300 -0.184 0.000 0.850 331 V CB 0.991 32.591 31.823 -0.371 0.000 0.987 331 V HN 0.281 nan 8.190 nan 0.000 0.436 332 W N 2.649 123.706 121.300 -0.405 0.000 2.647 332 W HA 0.756 5.417 4.660 0.001 0.000 0.353 332 W C 0.000 176.116 176.519 -0.671 0.000 1.080 332 W CA -0.484 56.422 57.345 -0.731 0.000 1.208 332 W CB 1.458 29.913 29.460 -1.675 0.000 1.396 332 W HN 0.460 nan 8.180 nan 0.000 0.573 333 Q N 1.867 121.434 119.800 -0.389 0.000 2.315 333 Q HA 0.370 4.710 4.340 0.001 0.000 0.273 333 Q C -1.364 174.195 176.000 -0.735 0.000 1.053 333 Q CA -0.730 54.767 55.803 -0.510 0.000 0.817 333 Q CB 2.216 30.711 28.738 -0.404 0.000 1.326 333 Q HN 0.547 nan 8.270 nan 0.000 0.423 334 E N 2.131 121.924 120.200 -0.678 0.000 2.238 334 E HA 0.368 4.719 4.350 0.001 0.000 0.267 334 E C -1.254 174.946 176.600 -0.667 0.000 0.887 334 E CA -0.635 55.411 56.400 -0.589 0.000 0.769 334 E CB 0.833 30.340 29.700 -0.323 0.000 1.187 334 E HN 0.513 nan 8.360 nan 0.000 0.416 335 F N 1.567 121.483 119.950 -0.057 0.000 2.916 335 F HA 0.184 4.711 4.527 0.001 0.000 0.294 335 F C 1.307 177.036 175.800 -0.119 0.000 1.189 335 F CA -0.419 57.491 58.000 -0.150 0.000 1.369 335 F CB 0.073 39.088 39.000 0.024 0.000 0.961 335 F HN 0.680 nan 8.300 nan 0.000 0.508 336 E N 0.572 120.796 120.200 0.040 0.000 2.130 336 E HA -0.250 4.100 4.350 0.001 0.000 0.196 336 E C 1.419 177.974 176.600 -0.075 0.000 0.998 336 E CA 1.502 57.918 56.400 0.027 0.000 0.806 336 E CB -0.216 29.487 29.700 0.004 0.000 0.738 336 E HN 0.474 nan 8.360 nan 0.000 0.459 337 K N 0.334 120.599 120.400 -0.225 0.000 2.044 337 K HA -0.076 4.244 4.320 0.001 0.000 0.204 337 K C 2.341 178.583 176.600 -0.596 0.000 1.049 337 K CA 1.411 57.486 56.287 -0.354 0.000 0.945 337 K CB -0.034 32.135 32.500 -0.551 0.000 0.724 337 K HN 0.010 nan 8.250 nan 0.000 0.440 338 Q N -0.195 119.107 119.800 -0.830 0.000 2.046 338 Q HA -0.070 4.270 4.340 0.001 0.000 0.200 338 Q C 0.090 175.689 176.000 -0.669 0.000 0.975 338 Q CA 1.426 56.622 55.803 -1.012 0.000 0.836 338 Q CB 0.131 28.044 28.738 -1.376 0.000 0.896 338 Q HN 0.383 nan 8.270 nan 0.000 0.428 339 Y N -1.478 118.819 120.300 -0.007 0.000 2.490 339 Y HA 0.289 4.839 4.550 0.001 0.000 0.346 339 Y C -1.948 174.000 175.900 0.079 0.000 1.023 339 Y CA -2.218 55.902 58.100 0.032 0.000 1.142 339 Y CB 1.172 39.634 38.460 0.003 0.000 1.126 339 Y HN 0.087 nan 8.280 nan 0.000 0.647 340 P HA -0.225 nan 4.420 nan 0.000 0.218 340 P C 0.680 178.052 177.300 0.120 0.000 1.154 340 P CA 1.785 64.949 63.100 0.107 0.000 0.872 340 P CB 0.397 32.138 31.700 0.068 0.000 0.790 341 D N -2.188 118.285 120.400 0.122 0.000 2.368 341 D HA 0.220 4.861 4.640 0.001 0.000 0.218 341 D C 1.575 177.949 176.300 0.124 0.000 1.112 341 D CA 0.114 54.173 54.000 0.098 0.000 0.834 341 D CB 0.269 41.102 40.800 0.055 0.000 0.953 341 D HN 0.069 nan 8.370 nan 0.000 0.505 342 A N 1.294 124.225 122.820 0.185 0.000 1.969 342 A HA -0.156 4.164 4.320 0.001 0.000 0.218 342 A C 0.905 178.650 177.584 0.268 0.000 1.169 342 A CA 0.585 52.739 52.037 0.195 0.000 0.635 342 A CB -0.110 19.002 19.000 0.187 0.000 0.810 342 A HN 0.191 nan 8.150 nan 0.000 0.445 343 N N -1.687 117.243 118.700 0.384 0.000 2.758 343 N HA -0.121 4.620 4.740 0.001 0.000 0.248 343 N C -0.672 175.250 175.510 0.686 0.000 1.076 343 N CA 1.027 54.425 53.050 0.581 0.000 0.696 343 N CB -1.850 36.894 38.487 0.427 0.000 0.979 343 N HN 0.272 nan 8.380 nan 0.000 0.550 344 V N 0.649 120.920 119.914 0.594 0.000 2.628 344 V HA 0.610 4.730 4.120 0.001 0.000 0.306 344 V C 0.542 176.912 176.094 0.460 0.000 1.045 344 V CA -0.684 61.960 62.300 0.575 0.000 0.905 344 V CB 2.505 34.678 31.823 0.583 0.000 0.997 344 V HN 0.145 nan 8.190 nan 0.000 0.436 345 L N 4.154 125.612 121.223 0.391 0.000 2.323 345 L HA 0.662 5.003 4.340 0.001 0.000 0.265 345 L C -1.274 175.742 176.870 0.243 0.000 1.012 345 L CA -0.915 54.014 54.840 0.148 0.000 0.820 345 L CB 2.161 44.309 42.059 0.148 0.000 1.334 345 L HN 0.445 nan 8.230 nan 0.000 0.427 346 L N 2.410 123.642 121.223 0.014 0.000 2.376 346 L HA 0.647 4.988 4.340 0.001 0.000 0.275 346 L C -1.232 175.377 176.870 -0.435 0.000 0.987 346 L CA -0.354 54.359 54.840 -0.213 0.000 0.828 346 L CB 1.811 43.810 42.059 -0.101 0.000 1.249 346 L HN 0.306 nan 8.230 nan 0.000 0.409 347 V N 4.834 124.350 119.914 -0.663 0.000 2.513 347 V HA 0.713 4.833 4.120 0.001 0.000 0.299 347 V C -0.359 175.397 176.094 -0.565 0.000 1.035 347 V CA 0.041 61.706 62.300 -1.058 0.000 0.889 347 V CB 2.170 32.872 31.823 -1.868 0.000 0.988 347 V HN 0.935 nan 8.190 nan 0.000 0.440 348 T N 6.357 120.642 114.554 -0.448 0.000 2.823 348 T HA 0.678 5.028 4.350 0.001 0.000 0.279 348 T C -0.436 174.123 174.700 -0.236 0.000 0.998 348 T CA -0.242 61.681 62.100 -0.294 0.000 0.994 348 T CB 1.425 70.187 68.868 -0.177 0.000 0.960 348 T HN 1.009 nan 8.240 nan 0.000 0.448 349 V N 0.707 120.499 119.914 -0.204 0.000 3.126 349 V HA 1.034 5.155 4.120 0.001 0.000 0.314 349 V C -0.244 175.824 176.094 -0.045 0.000 1.138 349 V CA -0.869 61.358 62.300 -0.121 0.000 1.034 349 V CB 1.837 33.523 31.823 -0.230 0.000 1.075 349 V HN 1.031 nan 8.190 nan 0.000 0.442 350 T N -2.474 112.116 114.554 0.060 0.000 2.754 350 T HA 0.627 4.977 4.350 0.001 0.000 0.296 350 T C 0.004 174.704 174.700 0.001 0.000 1.205 350 T CA 0.481 62.604 62.100 0.038 0.000 1.009 350 T CB 1.388 70.308 68.868 0.087 0.000 1.368 350 T HN 1.589 nan 8.240 nan 0.000 0.509 351 D N 0.388 120.757 120.400 -0.051 0.000 3.574 351 D HA -0.282 4.359 4.640 0.001 0.000 0.153 351 D C 1.358 177.573 176.300 -0.143 0.000 0.965 351 D CA 2.209 56.151 54.000 -0.096 0.000 1.047 351 D CB -0.977 39.809 40.800 -0.023 0.000 0.492 351 D HN 0.832 nan 8.370 nan 0.000 0.492 352 E N -0.278 119.866 120.200 -0.094 0.000 2.097 352 E HA -0.232 4.119 4.350 0.001 0.000 0.196 352 E C 1.979 178.518 176.600 -0.101 0.000 1.000 352 E CA 1.375 57.712 56.400 -0.107 0.000 0.804 352 E CB -0.186 29.485 29.700 -0.049 0.000 0.740 352 E HN 0.366 nan 8.360 nan 0.000 0.454 353 E N 0.428 120.587 120.200 -0.068 0.000 2.106 353 E HA -0.093 4.258 4.350 0.001 0.000 0.192 353 E C 2.270 178.814 176.600 -0.092 0.000 0.984 353 E CA 0.567 56.917 56.400 -0.083 0.000 0.806 353 E CB -0.140 29.478 29.700 -0.138 0.000 0.750 353 E HN 0.059 nan 8.360 nan 0.000 0.458 354 S N 0.739 116.381 115.700 -0.097 0.000 2.359 354 S HA -0.143 4.327 4.470 0.001 0.000 0.224 354 S C 1.927 176.468 174.600 -0.098 0.000 1.035 354 S CA 1.068 59.227 58.200 -0.068 0.000 1.018 354 S CB -0.111 63.046 63.200 -0.072 0.000 0.876 354 S HN 0.244 nan 8.310 nan 0.000 0.448 355 R N 0.648 120.970 120.500 -0.296 0.000 2.096 355 R HA -0.027 4.313 4.340 0.001 0.000 0.235 355 R C 2.615 178.857 176.300 -0.096 0.000 1.127 355 R CA 1.217 57.019 56.100 -0.496 0.000 0.968 355 R CB -0.261 29.495 30.300 -0.907 0.000 0.861 355 R HN 0.322 nan 8.270 nan 0.000 0.440 356 R N 1.130 121.592 120.500 -0.063 0.000 2.073 356 R HA -0.096 4.245 4.340 0.001 0.000 0.234 356 R C 2.172 178.522 176.300 0.084 0.000 1.134 356 R CA 1.426 57.546 56.100 0.033 0.000 0.952 356 R CB -0.220 30.096 30.300 0.026 0.000 0.850 356 R HN 0.154 nan 8.270 nan 0.000 0.433 357 I N 0.942 121.550 120.570 0.064 0.000 2.286 357 I HA -0.226 3.944 4.170 0.001 0.000 0.248 357 I C 2.133 178.329 176.117 0.132 0.000 1.115 357 I CA 1.347 62.707 61.300 0.100 0.000 1.392 357 I CB -0.268 37.778 38.000 0.078 0.000 1.065 357 I HN 0.316 nan 8.210 nan 0.000 0.418 358 E N 0.506 120.808 120.200 0.170 0.000 2.160 358 E HA -0.265 4.086 4.350 0.001 0.000 0.195 358 E C 1.871 178.593 176.600 0.203 0.000 0.991 358 E CA 1.016 57.548 56.400 0.220 0.000 0.810 358 E CB -0.088 29.845 29.700 0.390 0.000 0.742 358 E HN 0.612 nan 8.360 nan 0.000 0.466 359 Q N 0.275 120.209 119.800 0.223 0.000 2.444 359 Q HA -0.036 4.304 4.340 0.001 0.000 0.206 359 Q C 0.673 176.747 176.000 0.123 0.000 0.948 359 Q CA 0.240 56.151 55.803 0.180 0.000 0.946 359 Q CB 0.208 29.073 28.738 0.212 0.000 1.027 359 Q HN 0.332 nan 8.270 nan 0.000 0.513 360 Q N -0.718 119.151 119.800 0.115 0.000 2.572 360 Q HA 0.526 4.866 4.340 0.001 0.000 0.284 360 Q C -0.500 175.551 176.000 0.085 0.000 1.091 360 Q CA -0.920 54.940 55.803 0.095 0.000 0.840 360 Q CB 1.099 29.898 28.738 0.102 0.000 1.433 360 Q HN -0.011 nan 8.270 nan 0.000 0.471 361 S N -0.279 115.465 115.700 0.074 0.000 2.614 361 S HA 0.090 4.560 4.470 0.001 0.000 0.265 361 S C 0.006 174.647 174.600 0.069 0.000 1.303 361 S CA -0.138 58.100 58.200 0.064 0.000 1.000 361 S CB 0.682 63.915 63.200 0.054 0.000 0.935 361 S HN 0.636 nan 8.310 nan 0.000 0.551 362 D N 0.637 121.074 120.400 0.061 0.000 2.144 362 D HA -0.106 4.535 4.640 0.001 0.000 0.199 362 D C 1.757 178.092 176.300 0.057 0.000 0.984 362 D CA 1.494 55.531 54.000 0.061 0.000 0.834 362 D CB -0.292 40.543 40.800 0.057 0.000 0.955 362 D HN 0.869 nan 8.370 nan 0.000 0.465 363 E N 0.203 120.435 120.200 0.053 0.000 2.077 363 E HA -0.257 4.093 4.350 0.001 0.000 0.193 363 E C 1.879 178.512 176.600 0.055 0.000 0.989 363 E CA 0.965 57.394 56.400 0.049 0.000 0.800 363 E CB 0.117 29.843 29.700 0.044 0.000 0.746 363 E HN 0.018 nan 8.360 nan 0.000 0.452 364 Q N 0.242 120.081 119.800 0.065 0.000 2.119 364 Q HA -0.084 4.256 4.340 0.001 0.000 0.201 364 Q C 1.968 178.023 176.000 0.092 0.000 0.972 364 Q CA 2.224 58.074 55.803 0.078 0.000 0.847 364 Q CB -0.471 28.318 28.738 0.085 0.000 0.903 364 Q HN 0.221 nan 8.270 nan 0.000 0.433 365 T N 0.288 114.898 114.554 0.094 0.000 2.777 365 T HA -0.141 4.209 4.350 0.001 0.000 0.266 365 T C 1.584 176.301 174.700 0.030 0.000 1.040 365 T CA 1.533 63.697 62.100 0.108 0.000 1.141 365 T CB -0.217 68.720 68.868 0.115 0.000 0.868 365 T HN 0.373 nan 8.240 nan 0.000 0.444 366 K N 1.203 121.620 120.400 0.029 0.000 2.063 366 K HA -0.043 4.278 4.320 0.001 0.000 0.208 366 K C 2.378 178.983 176.600 0.008 0.000 1.048 366 K CA 1.324 57.616 56.287 0.009 0.000 0.928 366 K CB -0.329 32.188 32.500 0.027 0.000 0.713 366 K HN 0.264 nan 8.250 nan 0.000 0.442 367 A N 0.989 123.829 122.820 0.032 0.000 1.930 367 A HA -0.166 4.155 4.320 0.001 0.000 0.217 367 A C 1.830 179.436 177.584 0.037 0.000 1.175 367 A CA 1.654 53.715 52.037 0.041 0.000 0.627 367 A CB -0.431 18.602 19.000 0.055 0.000 0.815 367 A HN 0.502 nan 8.150 nan 0.000 0.443 368 E N -0.333 119.892 120.200 0.041 0.000 2.077 368 E HA -0.131 4.220 4.350 0.001 0.000 0.193 368 E C 1.810 178.338 176.600 -0.121 0.000 0.989 368 E CA 1.183 57.628 56.400 0.075 0.000 0.800 368 E CB -0.247 29.586 29.700 0.222 0.000 0.746 368 E HN 0.701 nan 8.360 nan 0.000 0.452 369 I N 0.578 120.961 120.570 -0.311 0.000 2.315 369 I HA -0.249 3.921 4.170 0.001 0.000 0.248 369 I C 2.216 178.286 176.117 -0.078 0.000 1.117 369 I CA 0.619 61.684 61.300 -0.391 0.000 1.404 369 I CB -0.105 37.698 38.000 -0.328 0.000 1.071 369 I HN 0.184 nan 8.210 nan 0.000 0.419 370 M N -0.120 119.477 119.600 -0.004 0.000 2.159 370 M HA -0.202 4.278 4.480 0.001 0.000 0.263 370 M C 2.236 178.534 176.300 -0.004 0.000 1.063 370 M CA 1.657 56.975 55.300 0.031 0.000 1.110 370 M CB -1.194 31.433 32.600 0.046 0.000 1.374 370 M HN 0.317 nan 8.290 nan 0.000 0.411 371 Q N -0.488 119.320 119.800 0.013 0.000 2.084 371 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 371 Q C 2.269 178.280 176.000 0.017 0.000 0.978 371 Q CA 1.411 57.236 55.803 0.037 0.000 0.844 371 Q CB -0.162 28.635 28.738 0.097 0.000 0.898 371 Q HN 0.332 nan 8.270 nan 0.000 0.426 372 V N 1.140 121.046 119.914 -0.013 0.000 2.295 372 V HA -0.262 3.858 4.120 0.001 0.000 0.246 372 V C 2.230 178.159 176.094 -0.275 0.000 1.049 372 V CA 1.545 63.755 62.300 -0.150 0.000 1.024 372 V CB -0.470 31.248 31.823 -0.176 0.000 0.648 372 V HN 0.338 nan 8.190 nan 0.000 0.447 373 L N -0.687 120.434 121.223 -0.170 0.000 2.083 373 L HA -0.181 4.160 4.340 0.001 0.000 0.209 373 L C 2.721 179.553 176.870 -0.063 0.000 1.083 373 L CA 1.564 56.331 54.840 -0.121 0.000 0.752 373 L CB -0.547 41.485 42.059 -0.044 0.000 0.899 373 L HN 0.232 nan 8.230 nan 0.000 0.433 374 R N -0.009 120.439 120.500 -0.088 0.000 2.115 374 R HA -0.137 4.204 4.340 0.001 0.000 0.230 374 R C 2.255 178.537 176.300 -0.030 0.000 1.111 374 R CA 1.133 57.195 56.100 -0.064 0.000 0.976 374 R CB -0.089 30.180 30.300 -0.052 0.000 0.870 374 R HN 0.313 nan 8.270 nan 0.000 0.445 375 K N -0.136 120.241 120.400 -0.037 0.000 2.155 375 K HA -0.010 4.311 4.320 0.001 0.000 0.203 375 K C 1.974 178.552 176.600 -0.037 0.000 1.052 375 K CA 1.101 57.392 56.287 0.007 0.000 0.948 375 K CB 0.083 32.640 32.500 0.096 0.000 0.728 375 K HN 0.144 nan 8.250 nan 0.000 0.448 376 M N -0.574 118.901 119.600 -0.208 0.000 2.254 376 M HA -0.032 4.449 4.480 0.001 0.000 0.265 376 M C 0.133 176.046 176.300 -0.645 0.000 1.066 376 M CA 1.361 56.377 55.300 -0.472 0.000 1.123 376 M CB 0.321 32.288 32.600 -1.055 0.000 1.388 376 M HN -0.044 nan 8.290 nan 0.000 0.425 377 F N -0.372 119.533 119.950 -0.075 0.000 2.471 377 F HA 0.296 4.823 4.527 0.001 0.000 0.318 377 F C -1.793 173.984 175.800 -0.038 0.000 1.308 377 F CA -1.894 56.090 58.000 -0.025 0.000 1.162 377 F CB 0.144 39.134 39.000 -0.017 0.000 1.383 377 F HN -0.081 nan 8.300 nan 0.000 0.552 378 P HA -0.110 nan 4.420 nan 0.000 0.220 378 P C 1.687 179.015 177.300 0.047 0.000 1.148 378 P CA 1.156 64.281 63.100 0.042 0.000 0.803 378 P CB 0.242 31.956 31.700 0.023 0.000 0.782 379 G N -1.093 107.752 108.800 0.074 0.000 2.985 379 G HA2 -0.024 3.936 3.960 0.001 0.000 0.209 379 G HA3 -0.024 3.936 3.960 0.001 0.000 0.209 379 G C 0.667 175.593 174.900 0.044 0.000 1.165 379 G CA 0.109 45.239 45.100 0.051 0.000 0.776 379 G HN 0.153 nan 8.290 nan 0.000 0.541 380 K N 0.632 121.067 120.400 0.058 0.000 2.166 380 K HA 0.264 4.584 4.320 0.001 0.000 0.245 380 K C -1.356 175.214 176.600 -0.051 0.000 0.967 380 K CA -0.800 55.491 56.287 0.007 0.000 0.863 380 K CB 1.854 34.368 32.500 0.024 0.000 1.107 380 K HN -0.037 nan 8.250 nan 0.000 0.436 381 D N 2.003 122.360 120.400 -0.073 0.000 2.441 381 D HA 0.115 4.756 4.640 0.001 0.000 0.221 381 D C -0.792 175.406 176.300 -0.170 0.000 1.156 381 D CA -0.433 53.513 54.000 -0.089 0.000 0.896 381 D CB 0.277 41.042 40.800 -0.059 0.000 1.028 381 D HN 0.019 nan 8.370 nan 0.000 0.509 382 V N 6.738 126.492 119.914 -0.266 0.000 2.455 382 V HA 0.268 4.388 4.120 0.001 0.000 0.273 382 V C -1.653 174.255 176.094 -0.311 0.000 1.045 382 V CA -1.123 60.850 62.300 -0.545 0.000 0.976 382 V CB 1.029 32.422 31.823 -0.717 0.000 0.993 382 V HN 0.521 nan 8.190 nan 0.000 0.475 383 P HA 0.257 nan 4.420 nan 0.000 0.282 383 P C -0.681 176.714 177.300 0.159 0.000 1.249 383 P CA -0.618 62.496 63.100 0.024 0.000 0.806 383 P CB 0.859 32.652 31.700 0.155 0.000 0.984 384 D N 0.602 121.087 120.400 0.142 0.000 2.443 384 D HA 0.199 4.840 4.640 0.001 0.000 0.239 384 D C 0.526 176.966 176.300 0.233 0.000 1.136 384 D CA 0.423 54.522 54.000 0.166 0.000 0.879 384 D CB 0.625 41.475 40.800 0.084 0.000 1.195 384 D HN 0.360 nan 8.370 nan 0.000 0.443 385 A N 2.183 125.090 122.820 0.145 0.000 2.498 385 A HA 0.142 4.463 4.320 0.001 0.000 0.239 385 A C 1.215 178.741 177.584 -0.097 0.000 1.068 385 A CA 0.078 51.948 52.037 -0.278 0.000 0.766 385 A CB 0.293 19.004 19.000 -0.483 0.000 1.003 385 A HN 0.538 nan 8.150 nan 0.000 0.497 386 T N 0.947 115.442 114.554 -0.098 0.000 3.081 386 T HA 0.143 4.493 4.350 0.001 0.000 0.250 386 T C -0.115 174.555 174.700 -0.050 0.000 1.100 386 T CA 0.987 63.064 62.100 -0.038 0.000 1.038 386 T CB -0.206 68.649 68.868 -0.023 0.000 0.962 386 T HN 0.752 nan 8.240 nan 0.000 0.516 387 D N -0.248 120.118 120.400 -0.056 0.000 2.663 387 D HA 0.495 5.135 4.640 0.001 0.000 0.233 387 D C -1.699 174.739 176.300 0.229 0.000 1.240 387 D CA -0.552 53.474 54.000 0.044 0.000 0.774 387 D CB 1.994 42.725 40.800 -0.115 0.000 1.443 387 D HN 0.091 nan 8.370 nan 0.000 0.441 388 I N 1.717 122.471 120.570 0.306 0.000 2.827 388 I HA 0.577 4.748 4.170 0.001 0.000 0.298 388 I C -2.103 174.108 176.117 0.156 0.000 1.235 388 I CA -0.949 60.483 61.300 0.220 0.000 1.021 388 I CB 2.012 40.062 38.000 0.083 0.000 1.259 388 I HN 0.304 nan 8.210 nan 0.000 0.427 389 L N 8.216 129.380 121.223 -0.100 0.000 2.372 389 L HA 0.592 4.933 4.340 0.001 0.000 0.274 389 L C -1.647 175.214 176.870 -0.015 0.000 0.988 389 L CA -0.373 54.401 54.840 -0.111 0.000 0.833 389 L CB 1.673 43.466 42.059 -0.443 0.000 1.236 389 L HN 0.325 nan 8.230 nan 0.000 0.410 390 V N 7.031 126.961 119.914 0.026 0.000 2.294 390 V HA 0.453 4.574 4.120 0.001 0.000 0.272 390 V C -2.003 174.122 176.094 0.052 0.000 1.027 390 V CA -1.326 61.006 62.300 0.054 0.000 0.823 390 V CB 0.811 32.671 31.823 0.062 0.000 1.030 390 V HN 0.701 nan 8.190 nan 0.000 0.457 391 P HA 0.295 nan 4.420 nan 0.000 0.268 391 P C -0.119 177.185 177.300 0.006 0.000 1.205 391 P CA -0.128 62.963 63.100 -0.014 0.000 0.771 391 P CB 0.493 32.275 31.700 0.137 0.000 0.858 392 R N 2.086 122.508 120.500 -0.129 0.000 2.983 392 R HA 0.160 4.500 4.340 0.001 0.000 0.300 392 R C 0.386 176.720 176.300 0.057 0.000 1.367 392 R CA -0.135 55.985 56.100 0.033 0.000 1.564 392 R CB -0.092 30.226 30.300 0.030 0.000 1.314 392 R HN 0.623 nan 8.270 nan 0.000 0.622 393 W N -0.299 121.102 121.300 0.167 0.000 2.342 393 W HA -0.215 4.446 4.660 0.001 0.000 0.297 393 W C 1.856 178.528 176.519 0.254 0.000 1.213 393 W CA 0.581 58.031 57.345 0.175 0.000 1.251 393 W CB -0.090 29.456 29.460 0.143 0.000 1.136 393 W HN 0.535 nan 8.180 nan 0.000 0.526 394 W N 0.597 122.078 121.300 0.301 0.000 2.436 394 W HA -0.101 4.560 4.660 0.001 0.000 0.284 394 W C 2.120 178.717 176.519 0.129 0.000 1.225 394 W CA 1.829 59.287 57.345 0.187 0.000 1.271 394 W CB -0.628 28.907 29.460 0.125 0.000 1.114 394 W HN -0.364 nan 8.180 nan 0.000 0.559 395 S N -0.119 115.609 115.700 0.046 0.000 2.489 395 S HA -0.114 4.356 4.470 0.001 0.000 0.228 395 S C 0.277 174.765 174.600 -0.187 0.000 0.995 395 S CA 0.602 58.632 58.200 -0.282 0.000 0.934 395 S CB -0.511 62.620 63.200 -0.116 0.000 0.771 395 S HN 0.168 nan 8.310 nan 0.000 0.522 396 D N 2.078 122.464 120.400 -0.023 0.000 2.339 396 D HA 0.015 4.656 4.640 0.001 0.000 0.256 396 D C 1.295 177.544 176.300 -0.086 0.000 1.214 396 D CA -0.293 53.690 54.000 -0.029 0.000 0.877 396 D CB 0.660 41.564 40.800 0.174 0.000 1.111 396 D HN 0.317 nan 8.370 nan 0.000 0.478 397 R N 3.337 123.632 120.500 -0.342 0.000 2.241 397 R HA -0.109 4.232 4.340 0.001 0.000 0.224 397 R C 1.103 177.230 176.300 -0.288 0.000 1.101 397 R CA 1.081 56.961 56.100 -0.366 0.000 0.995 397 R CB -0.427 29.590 30.300 -0.472 0.000 0.870 397 R HN 0.388 nan 8.270 nan 0.000 0.463 398 F N -0.941 118.951 119.950 -0.097 0.000 2.797 398 F HA 0.192 4.719 4.527 0.001 0.000 0.302 398 F C 0.703 176.040 175.800 -0.771 0.000 1.130 398 F CA -0.141 57.616 58.000 -0.404 0.000 1.387 398 F CB 0.310 39.010 39.000 -0.500 0.000 1.107 398 F HN -0.051 nan 8.300 nan 0.000 0.577 399 Y N -1.740 118.715 120.300 0.258 0.000 2.844 399 Y HA 0.161 4.711 4.550 0.001 0.000 0.256 399 Y C 0.783 176.803 175.900 0.200 0.000 1.134 399 Y CA -0.731 57.539 58.100 0.284 0.000 1.209 399 Y CB 0.207 38.977 38.460 0.516 0.000 1.418 399 Y HN -0.380 nan 8.280 nan 0.000 0.459 400 K N 1.261 121.845 120.400 0.307 0.000 3.035 400 K HA -0.127 4.193 4.320 0.001 0.000 0.262 400 K C 0.152 176.973 176.600 0.368 0.000 1.024 400 K CA 1.141 57.564 56.287 0.226 0.000 0.748 400 K CB -1.791 30.780 32.500 0.118 0.000 1.247 400 K HN 0.822 nan 8.250 nan 0.000 0.482 401 G N -2.281 106.768 108.800 0.416 0.000 2.369 401 G HA2 0.104 4.064 3.960 0.001 0.000 0.295 401 G HA3 0.104 4.064 3.960 0.001 0.000 0.295 401 G C 0.386 175.345 174.900 0.100 0.000 1.298 401 G CA 0.428 45.684 45.100 0.260 0.000 0.940 401 G HN 0.236 nan 8.290 nan 0.000 0.536 402 T N -2.601 111.830 114.554 -0.204 0.000 2.987 402 T HA 0.623 4.973 4.350 0.001 0.000 0.248 402 T C 0.349 174.886 174.700 -0.273 0.000 0.997 402 T CA 1.515 63.348 62.100 -0.444 0.000 1.013 402 T CB 0.192 68.683 68.868 -0.627 0.000 1.077 402 T HN 1.935 nan 8.240 nan 0.000 0.483 403 F N 0.726 120.636 119.950 -0.067 0.000 2.746 403 F HA 0.703 5.231 4.527 0.001 0.000 0.311 403 F C -0.470 175.347 175.800 0.028 0.000 1.135 403 F CA -1.777 56.191 58.000 -0.053 0.000 0.954 403 F CB 0.433 39.328 39.000 -0.175 0.000 1.276 403 F HN 0.099 nan 8.300 nan 0.000 0.440 404 S N 1.182 117.095 115.700 0.355 0.000 2.600 404 S HA 0.613 5.084 4.470 0.001 0.000 0.265 404 S C -0.684 174.118 174.600 0.338 0.000 1.325 404 S CA -0.274 58.135 58.200 0.349 0.000 1.002 404 S CB 1.357 64.906 63.200 0.583 0.000 0.921 404 S HN 0.931 nan 8.310 nan 0.000 0.554 405 N N -0.390 118.370 118.700 0.100 0.000 2.264 405 N HA 0.241 4.982 4.740 0.001 0.000 0.288 405 N C -2.033 173.166 175.510 -0.519 0.000 1.094 405 N CA -0.593 52.462 53.050 0.007 0.000 0.817 405 N CB 1.134 39.653 38.487 0.054 0.000 1.604 405 N HN 0.799 nan 8.380 nan 0.000 0.473 406 W N 6.511 127.449 121.300 -0.602 0.000 2.416 406 W HA 0.404 5.065 4.660 0.001 0.000 0.318 406 W C -2.514 173.689 176.519 -0.527 0.000 1.150 406 W CA -1.785 55.061 57.345 -0.831 0.000 1.392 406 W CB 0.365 29.634 29.460 -0.317 0.000 1.311 406 W HN 0.416 nan 8.180 nan 0.000 0.436 407 P HA 0.063 nan 4.420 nan 0.000 0.284 407 P C -0.453 176.907 177.300 0.099 0.000 1.258 407 P CA -0.299 62.761 63.100 -0.067 0.000 0.824 407 P CB 2.249 33.864 31.700 -0.142 0.000 1.038 408 V N 1.640 121.568 119.914 0.023 0.000 2.740 408 V HA 0.397 4.518 4.120 0.001 0.000 0.303 408 V C 1.260 177.396 176.094 0.069 0.000 1.054 408 V CA 1.910 64.232 62.300 0.037 0.000 1.106 408 V CB -0.376 31.434 31.823 -0.021 0.000 0.957 408 V HN 1.032 nan 8.190 nan 0.000 0.486 409 G N 4.135 112.999 108.800 0.106 0.000 2.391 409 G HA2 -0.164 3.797 3.960 0.001 0.000 0.204 409 G HA3 -0.164 3.797 3.960 0.001 0.000 0.204 409 G C -0.029 174.970 174.900 0.166 0.000 1.012 409 G CA -0.035 45.127 45.100 0.102 0.000 0.651 409 G HN 1.291 nan 8.290 nan 0.000 0.494 410 V N 3.760 123.823 119.914 0.249 0.000 2.407 410 V HA 0.559 4.679 4.120 0.001 0.000 0.278 410 V C 0.426 176.845 176.094 0.542 0.000 1.037 410 V CA -0.317 62.176 62.300 0.321 0.000 0.900 410 V CB 1.314 33.265 31.823 0.213 0.000 0.983 410 V HN 0.718 nan 8.190 nan 0.000 0.459 411 N N 4.975 123.926 118.700 0.419 0.000 2.491 411 N HA 0.272 5.013 4.740 0.001 0.000 0.279 411 N C 0.909 176.754 175.510 0.558 0.000 1.236 411 N CA -0.873 52.445 53.050 0.448 0.000 0.982 411 N CB 0.854 39.515 38.487 0.289 0.000 1.194 411 N HN 0.415 nan 8.380 nan 0.000 0.582 412 R N -1.202 119.596 120.500 0.497 0.000 2.148 412 R HA -0.138 4.203 4.340 0.001 0.000 0.227 412 R C 1.695 178.183 176.300 0.314 0.000 1.103 412 R CA 0.906 57.311 56.100 0.508 0.000 0.983 412 R CB -0.502 30.023 30.300 0.376 0.000 0.874 412 R HN 0.682 nan 8.270 nan 0.000 0.451 413 Y N 1.151 121.551 120.300 0.168 0.000 2.145 413 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 413 Y C 2.135 178.067 175.900 0.053 0.000 1.145 413 Y CA 2.059 60.207 58.100 0.079 0.000 1.148 413 Y CB -0.103 38.395 38.460 0.063 0.000 0.981 413 Y HN 0.122 nan 8.280 nan 0.000 0.507 414 E N -1.204 119.144 120.200 0.247 0.000 2.106 414 E HA -0.271 4.079 4.350 0.001 0.000 0.192 414 E C 1.970 178.538 176.600 -0.053 0.000 0.984 414 E CA 1.217 57.687 56.400 0.116 0.000 0.806 414 E CB -0.433 29.381 29.700 0.190 0.000 0.750 414 E HN 0.652 nan 8.360 nan 0.000 0.458 415 Y N 1.772 121.954 120.300 -0.196 0.000 2.242 415 Y HA -0.168 4.382 4.550 0.001 0.000 0.291 415 Y C 1.567 177.223 175.900 -0.408 0.000 1.137 415 Y CA 1.676 59.480 58.100 -0.494 0.000 1.181 415 Y CB -0.060 37.949 38.460 -0.752 0.000 0.989 415 Y HN 0.010 nan 8.280 nan 0.000 0.527 416 D N -0.066 120.145 120.400 -0.316 0.000 2.219 416 D HA -0.159 4.482 4.640 0.001 0.000 0.205 416 D C 1.864 177.889 176.300 -0.459 0.000 0.970 416 D CA 1.074 54.812 54.000 -0.437 0.000 0.851 416 D CB -0.250 40.374 40.800 -0.294 0.000 0.943 416 D HN 0.541 nan 8.370 nan 0.000 0.488 417 Q N -0.221 119.326 119.800 -0.422 0.000 2.364 417 Q HA -0.034 4.306 4.340 0.001 0.000 0.209 417 Q C 2.054 177.947 176.000 -0.179 0.000 0.977 417 Q CA 0.372 56.031 55.803 -0.239 0.000 0.885 417 Q CB 0.132 28.809 28.738 -0.101 0.000 0.941 417 Q HN 0.366 nan 8.270 nan 0.000 0.464 418 L N -0.290 120.682 121.223 -0.418 0.000 2.270 418 L HA -0.082 4.258 4.340 0.001 0.000 0.210 418 L C 2.483 179.044 176.870 -0.515 0.000 1.104 418 L CA 0.689 55.222 54.840 -0.511 0.000 0.804 418 L CB -0.113 41.552 42.059 -0.656 0.000 0.937 418 L HN 0.136 nan 8.230 nan 0.000 0.450 419 R N 0.544 120.751 120.500 -0.488 0.000 2.173 419 R HA 0.103 4.443 4.340 0.001 0.000 0.208 419 R C 0.972 177.178 176.300 -0.158 0.000 1.035 419 R CA 0.456 56.351 56.100 -0.343 0.000 1.004 419 R CB 0.136 30.204 30.300 -0.386 0.000 0.917 419 R HN 0.191 nan 8.270 nan 0.000 0.462 420 A N 3.248 125.973 122.820 -0.160 0.000 2.540 420 A HA 0.191 4.512 4.320 0.001 0.000 0.239 420 A C -2.173 175.469 177.584 0.097 0.000 1.061 420 A CA -1.026 50.975 52.037 -0.059 0.000 0.758 420 A CB -0.027 18.907 19.000 -0.109 0.000 0.991 420 A HN 0.261 nan 8.150 nan 0.000 0.502 421 P HA 0.304 nan 4.420 nan 0.000 0.276 421 P C -0.828 176.454 177.300 -0.030 0.000 1.252 421 P CA -0.240 62.740 63.100 -0.200 0.000 0.802 421 P CB 1.056 32.239 31.700 -0.861 0.000 1.035 422 V N 1.614 121.470 119.914 -0.097 0.000 2.349 422 V HA 0.463 4.584 4.120 0.001 0.000 0.284 422 V C 1.156 177.180 176.094 -0.118 0.000 1.014 422 V CA 0.671 62.953 62.300 -0.029 0.000 0.826 422 V CB 0.098 31.835 31.823 -0.143 0.000 1.009 422 V HN 1.093 nan 8.190 nan 0.000 0.431 423 G N 5.989 114.785 108.800 -0.006 0.000 2.602 423 G HA2 -0.342 3.618 3.960 0.001 0.000 0.310 423 G HA3 -0.342 3.618 3.960 0.001 0.000 0.310 423 G C 0.772 175.676 174.900 0.007 0.000 1.183 423 G CA 0.890 46.022 45.100 0.053 0.000 0.979 423 G HN 0.623 nan 8.290 nan 0.000 0.545 424 R N -0.338 120.202 120.500 0.067 0.000 2.359 424 R HA 0.407 4.747 4.340 0.001 0.000 0.231 424 R C 0.092 176.498 176.300 0.176 0.000 0.913 424 R CA 0.107 56.342 56.100 0.225 0.000 1.075 424 R CB 0.627 30.960 30.300 0.056 0.000 1.087 424 R HN 0.243 nan 8.270 nan 0.000 0.515 425 V N 1.978 121.778 119.914 -0.191 0.000 2.348 425 V HA 0.213 4.333 4.120 0.001 0.000 0.270 425 V C -0.598 175.139 176.094 -0.596 0.000 1.037 425 V CA -0.522 61.564 62.300 -0.357 0.000 0.872 425 V CB 0.321 31.791 31.823 -0.589 0.000 1.002 425 V HN 0.055 nan 8.190 nan 0.000 0.464 426 Y N 4.231 124.261 120.300 -0.449 0.000 2.453 426 Y HA 0.724 5.274 4.550 0.001 0.000 0.326 426 Y C -0.186 175.287 175.900 -0.710 0.000 1.186 426 Y CA -1.038 56.831 58.100 -0.385 0.000 1.200 426 Y CB 1.549 39.895 38.460 -0.191 0.000 1.247 426 Y HN 0.479 nan 8.280 nan 0.000 0.482 427 F N -0.235 119.730 119.950 0.024 0.000 2.563 427 F HA 0.667 5.195 4.527 0.001 0.000 0.316 427 F C 0.226 175.981 175.800 -0.074 0.000 1.076 427 F CA -0.636 57.343 58.000 -0.035 0.000 0.921 427 F CB 2.486 41.422 39.000 -0.106 0.000 1.209 427 F HN 0.352 nan 8.300 nan 0.000 0.462 428 T N 0.207 114.808 114.554 0.079 0.000 2.787 428 T HA 0.804 5.154 4.350 0.001 0.000 0.297 428 T C -0.836 173.782 174.700 -0.137 0.000 1.221 428 T CA -0.026 62.041 62.100 -0.054 0.000 1.006 428 T CB 1.665 70.508 68.868 -0.041 0.000 1.328 428 T HN 1.389 nan 8.240 nan 0.000 0.509 429 G N 1.180 109.878 108.800 -0.170 0.000 2.362 429 G HA2 0.154 4.115 3.960 0.001 0.000 0.656 429 G HA3 0.154 4.115 3.960 0.001 0.000 0.656 429 G C 0.171 174.944 174.900 -0.212 0.000 1.376 429 G CA 0.660 45.672 45.100 -0.147 0.000 0.971 429 G HN 0.965 nan 8.290 nan 0.000 0.636 430 E N -0.417 119.795 120.200 0.019 0.000 2.160 430 E HA -0.219 4.132 4.350 0.001 0.000 0.195 430 E C 1.670 178.320 176.600 0.083 0.000 0.991 430 E CA 2.504 58.954 56.400 0.083 0.000 0.810 430 E CB -0.646 29.132 29.700 0.130 0.000 0.742 430 E HN 1.064 nan 8.360 nan 0.000 0.466 431 H N -0.658 118.457 119.070 0.075 0.000 2.556 431 H HA 0.197 4.754 4.556 0.001 0.000 0.268 431 H C 0.987 176.221 175.328 -0.157 0.000 0.996 431 H CA 1.065 57.131 56.048 0.030 0.000 1.157 431 H CB -0.163 29.589 29.762 -0.017 0.000 1.355 431 H HN 0.318 nan 8.280 nan 0.000 0.597 432 T N -3.260 110.988 114.554 -0.509 0.000 3.084 432 T HA 0.128 4.479 4.350 0.001 0.000 0.270 432 T C 0.709 175.265 174.700 -0.239 0.000 1.008 432 T CA -0.232 61.569 62.100 -0.498 0.000 0.900 432 T CB -0.081 68.522 68.868 -0.441 0.000 1.084 432 T HN 0.233 nan 8.240 nan 0.000 0.538 433 S N 1.521 117.209 115.700 -0.020 0.000 2.498 433 S HA 0.137 4.608 4.470 0.001 0.000 0.281 433 S C 1.371 176.053 174.600 0.138 0.000 1.265 433 S CA -0.265 58.000 58.200 0.108 0.000 1.071 433 S CB 1.023 64.369 63.200 0.243 0.000 0.894 433 S HN 0.517 nan 8.310 nan 0.000 0.491 434 E N 3.610 123.806 120.200 -0.007 0.000 2.085 434 E HA -0.189 4.161 4.350 0.001 0.000 0.194 434 E C 0.888 177.200 176.600 -0.480 0.000 0.994 434 E CA 1.969 58.251 56.400 -0.196 0.000 0.801 434 E CB -0.005 29.497 29.700 -0.330 0.000 0.743 434 E HN 0.868 nan 8.360 nan 0.000 0.453 435 H N -2.509 116.491 119.070 -0.117 0.000 3.233 435 H HA 0.170 4.727 4.556 0.001 0.000 0.263 435 H C -0.267 174.783 175.328 -0.464 0.000 1.168 435 H CA 0.064 55.878 56.048 -0.390 0.000 1.159 435 H CB 0.393 29.674 29.762 -0.800 0.000 1.593 435 H HN 0.223 nan 8.280 nan 0.000 0.580 436 Y N 1.362 121.861 120.300 0.331 0.000 2.666 436 Y HA 0.097 4.648 4.550 0.001 0.000 0.264 436 Y C 0.481 176.597 175.900 0.360 0.000 1.054 436 Y CA -1.139 57.180 58.100 0.365 0.000 1.121 436 Y CB -0.089 38.624 38.460 0.423 0.000 1.190 436 Y HN 0.134 nan 8.280 nan 0.000 0.587 437 N N -0.069 118.881 118.700 0.417 0.000 2.374 437 N HA 0.303 5.043 4.740 0.001 0.000 0.241 437 N C 1.338 177.013 175.510 0.275 0.000 1.262 437 N CA 1.061 54.325 53.050 0.357 0.000 0.880 437 N CB 0.689 39.416 38.487 0.400 0.000 1.105 437 N HN 0.434 nan 8.380 nan 0.000 0.438 438 G N -1.025 107.826 108.800 0.086 0.000 2.217 438 G HA2 -0.276 3.684 3.960 0.001 0.000 0.246 438 G HA3 -0.276 3.684 3.960 0.001 0.000 0.246 438 G C -0.527 173.845 174.900 -0.879 0.000 0.990 438 G CA 0.418 45.316 45.100 -0.335 0.000 0.627 438 G HN 0.636 nan 8.290 nan 0.000 0.522 439 Y N -1.239 118.948 120.300 -0.188 0.000 2.602 439 Y HA 0.604 5.155 4.550 0.001 0.000 0.330 439 Y C 1.567 177.287 175.900 -0.300 0.000 1.114 439 Y CA -0.423 57.452 58.100 -0.375 0.000 1.182 439 Y CB 1.538 39.491 38.460 -0.845 0.000 1.305 439 Y HN -0.098 nan 8.280 nan 0.000 0.502 440 V N 1.107 120.971 119.914 -0.083 0.000 2.358 440 V HA -0.282 3.838 4.120 0.001 0.000 0.246 440 V C 2.316 178.417 176.094 0.012 0.000 1.047 440 V CA 2.388 64.661 62.300 -0.045 0.000 1.035 440 V CB -0.776 31.014 31.823 -0.055 0.000 0.658 440 V HN 0.935 nan 8.190 nan 0.000 0.452 441 H N -0.175 118.970 119.070 0.125 0.000 2.457 441 H HA -0.028 4.528 4.556 0.001 0.000 0.294 441 H C 2.308 177.758 175.328 0.203 0.000 1.064 441 H CA 1.554 57.644 56.048 0.070 0.000 1.330 441 H CB -0.701 28.948 29.762 -0.189 0.000 1.395 441 H HN 0.400 nan 8.280 nan 0.000 0.541 442 G N 1.044 109.804 108.800 -0.067 0.000 2.402 442 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 442 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 442 G C 2.042 177.048 174.900 0.176 0.000 1.162 442 G CA 1.420 46.654 45.100 0.222 0.000 0.777 442 G HN 0.621 nan 8.290 nan 0.000 0.539 443 A N 0.165 123.051 122.820 0.111 0.000 1.877 443 A HA -0.062 4.259 4.320 0.001 0.000 0.216 443 A C 2.216 179.874 177.584 0.124 0.000 1.186 443 A CA 1.795 53.890 52.037 0.097 0.000 0.620 443 A CB -0.823 18.226 19.000 0.081 0.000 0.822 443 A HN 0.491 nan 8.150 nan 0.000 0.443 444 Y N 0.640 120.968 120.300 0.047 0.000 2.097 444 Y HA -0.196 4.354 4.550 0.001 0.000 0.282 444 Y C 1.926 177.867 175.900 0.068 0.000 1.152 444 Y CA 2.113 60.245 58.100 0.054 0.000 1.136 444 Y CB -0.360 38.139 38.460 0.064 0.000 0.975 444 Y HN 0.202 nan 8.280 nan 0.000 0.498 445 L N -0.012 121.285 121.223 0.124 0.000 2.217 445 L HA -0.147 4.193 4.340 0.001 0.000 0.211 445 L C 2.641 179.510 176.870 -0.001 0.000 1.107 445 L CA 1.258 56.118 54.840 0.033 0.000 0.783 445 L CB -0.783 41.450 42.059 0.289 0.000 0.919 445 L HN 0.383 nan 8.230 nan 0.000 0.442 446 S N -0.256 115.462 115.700 0.030 0.000 2.423 446 S HA -0.081 4.390 4.470 0.001 0.000 0.231 446 S C 2.054 176.609 174.600 -0.074 0.000 1.014 446 S CA 0.810 58.999 58.200 -0.018 0.000 0.965 446 S CB -0.699 62.479 63.200 -0.037 0.000 0.785 446 S HN 0.410 nan 8.310 nan 0.000 0.495 447 G N 1.925 110.661 108.800 -0.106 0.000 2.402 447 G HA2 -0.006 3.954 3.960 0.001 0.000 0.216 447 G HA3 -0.006 3.954 3.960 0.001 0.000 0.216 447 G C 1.402 176.201 174.900 -0.168 0.000 1.162 447 G CA 0.848 45.869 45.100 -0.132 0.000 0.777 447 G HN 0.557 nan 8.290 nan 0.000 0.539 448 I N 0.915 121.353 120.570 -0.220 0.000 2.252 448 I HA -0.103 4.068 4.170 0.001 0.000 0.245 448 I C 2.279 178.321 176.117 -0.126 0.000 1.102 448 I CA 1.037 62.217 61.300 -0.201 0.000 1.385 448 I CB -0.147 37.709 38.000 -0.240 0.000 1.064 448 I HN 0.044 nan 8.210 nan 0.000 0.414 449 D N 0.623 120.970 120.400 -0.089 0.000 2.084 449 D HA -0.145 4.496 4.640 0.001 0.000 0.194 449 D C 2.387 178.649 176.300 -0.064 0.000 0.990 449 D CA 1.450 55.418 54.000 -0.053 0.000 0.826 449 D CB -0.303 40.483 40.800 -0.023 0.000 0.971 449 D HN 0.153 nan 8.370 nan 0.000 0.453 450 S N 0.621 116.279 115.700 -0.069 0.000 2.370 450 S HA -0.171 4.300 4.470 0.001 0.000 0.226 450 S C 2.116 176.647 174.600 -0.114 0.000 1.033 450 S CA 1.251 59.418 58.200 -0.054 0.000 1.011 450 S CB -0.307 62.865 63.200 -0.047 0.000 0.852 450 S HN 0.383 nan 8.310 nan 0.000 0.457 451 A N 1.642 124.372 122.820 -0.150 0.000 1.883 451 A HA -0.192 4.129 4.320 0.001 0.000 0.217 451 A C 1.998 179.459 177.584 -0.205 0.000 1.186 451 A CA 1.670 53.583 52.037 -0.205 0.000 0.624 451 A CB -0.678 18.204 19.000 -0.197 0.000 0.822 451 A HN 0.573 nan 8.150 nan 0.000 0.444 452 E N -0.530 119.582 120.200 -0.146 0.000 2.118 452 E HA -0.187 4.164 4.350 0.001 0.000 0.195 452 E C 1.860 178.393 176.600 -0.111 0.000 0.992 452 E CA 1.306 57.635 56.400 -0.118 0.000 0.804 452 E CB -0.321 29.331 29.700 -0.079 0.000 0.741 452 E HN 0.719 nan 8.360 nan 0.000 0.458 453 I N 0.642 121.158 120.570 -0.089 0.000 2.315 453 I HA -0.229 3.941 4.170 0.001 0.000 0.248 453 I C 2.345 178.387 176.117 -0.124 0.000 1.117 453 I CA 0.398 61.673 61.300 -0.042 0.000 1.404 453 I CB -0.059 37.970 38.000 0.048 0.000 1.071 453 I HN 0.140 nan 8.210 nan 0.000 0.419 454 L N 0.920 121.937 121.223 -0.344 0.000 2.056 454 L HA -0.136 4.205 4.340 0.001 0.000 0.207 454 L C 2.259 178.825 176.870 -0.508 0.000 1.078 454 L CA 1.818 56.209 54.840 -0.749 0.000 0.749 454 L CB -0.537 40.930 42.059 -0.987 0.000 0.901 454 L HN 0.128 nan 8.230 nan 0.000 0.433 455 I N 0.120 120.484 120.570 -0.344 0.000 2.208 455 I HA -0.319 3.852 4.170 0.001 0.000 0.245 455 I C 2.013 178.025 176.117 -0.175 0.000 1.097 455 I CA 1.273 62.423 61.300 -0.250 0.000 1.363 455 I CB -0.480 37.411 38.000 -0.181 0.000 1.051 455 I HN 0.384 nan 8.210 nan 0.000 0.413 456 N N 0.005 118.627 118.700 -0.131 0.000 2.188 456 N HA -0.173 4.568 4.740 0.001 0.000 0.184 456 N C 1.882 177.360 175.510 -0.053 0.000 1.018 456 N CA 1.258 54.265 53.050 -0.070 0.000 0.858 456 N CB -0.798 37.666 38.487 -0.038 0.000 0.989 456 N HN 0.424 nan 8.380 nan 0.000 0.426 457 c N 0.853 119.413 118.600 -0.067 0.000 2.462 457 c HA 0.123 4.693 4.570 0.001 0.000 0.278 457 c C 2.769 176.849 174.090 -0.017 0.000 1.253 457 c CA 1.246 57.573 56.329 -0.003 0.000 1.713 457 c CB -1.153 41.396 42.510 0.065 0.000 2.049 457 c HN 0.461 nan 8.230 nan 0.000 0.477 458 A N -0.522 122.202 122.820 -0.160 0.000 1.855 458 A HA -0.165 4.156 4.320 0.001 0.000 0.215 458 A C 2.151 179.713 177.584 -0.038 0.000 1.191 458 A CA 1.747 53.721 52.037 -0.105 0.000 0.613 458 A CB -0.721 18.035 19.000 -0.408 0.000 0.829 458 A HN 0.820 nan 8.150 nan 0.000 0.442 459 Q N -0.656 119.095 119.800 -0.082 0.000 2.123 459 Q HA -0.027 4.313 4.340 0.001 0.000 0.196 459 Q C 1.486 177.472 176.000 -0.022 0.000 0.958 459 Q CA 1.280 57.056 55.803 -0.046 0.000 0.841 459 Q CB -0.051 28.649 28.738 -0.064 0.000 0.915 459 Q HN 0.623 nan 8.270 nan 0.000 0.455 460 K N 0.201 120.585 120.400 -0.025 0.000 2.374 460 K HA 0.082 4.403 4.320 0.001 0.000 0.196 460 K C -0.129 176.475 176.600 0.007 0.000 1.023 460 K CA -0.044 56.238 56.287 -0.009 0.000 1.103 460 K CB 0.650 33.142 32.500 -0.012 0.000 0.848 460 K HN -0.090 nan 8.250 nan 0.000 0.528 461 K N 0.284 120.694 120.400 0.017 0.000 3.088 461 K HA -0.189 4.132 4.320 0.001 0.000 0.273 461 K C -0.429 176.193 176.600 0.038 0.000 1.111 461 K CA 1.171 57.481 56.287 0.038 0.000 0.803 461 K CB -2.175 30.346 32.500 0.036 0.000 1.226 461 K HN 0.361 nan 8.250 nan 0.000 0.485 462 M N 0.479 120.097 119.600 0.030 0.000 2.158 462 M HA 0.139 4.619 4.480 0.001 0.000 0.326 462 M C -0.347 175.980 176.300 0.045 0.000 1.014 462 M CA -0.431 54.889 55.300 0.034 0.000 0.961 462 M CB 0.828 33.441 32.600 0.022 0.000 1.327 462 M HN 0.001 nan 8.290 nan 0.000 0.393 463 c N 2.579 121.220 118.600 0.069 0.000 2.252 463 c HA 0.196 4.767 4.570 0.001 0.000 0.342 463 c C 1.034 175.177 174.090 0.088 0.000 1.110 463 c CA -0.953 55.431 56.329 0.093 0.000 1.581 463 c CB -1.214 41.371 42.510 0.125 0.000 2.087 463 c HN 0.680 nan 8.230 nan 0.000 0.500 464 K N 1.637 122.079 120.400 0.069 0.000 2.491 464 K HA -0.103 4.217 4.320 0.001 0.000 0.279 464 K C 0.630 177.255 176.600 0.043 0.000 1.026 464 K CA 0.264 56.590 56.287 0.064 0.000 1.070 464 K CB 0.225 32.752 32.500 0.045 0.000 0.887 464 K HN 0.750 nan 8.250 nan 0.000 0.481 465 Y N 4.782 125.021 120.300 -0.102 0.000 2.176 465 Y HA -0.074 4.477 4.550 0.001 0.000 0.291 465 Y C 0.947 176.633 175.900 -0.356 0.000 1.122 465 Y CA 1.213 59.161 58.100 -0.254 0.000 1.128 465 Y CB 0.226 38.473 38.460 -0.356 0.000 1.005 465 Y HN 0.660 nan 8.280 nan 0.000 0.509 466 H N 0.000 119.068 119.070 -0.004 0.000 2.539 466 H HA 0.000 4.556 4.556 0.001 0.000 0.296 466 H CA 0.000 55.982 56.048 -0.110 0.000 1.023 466 H CB 0.000 29.773 29.762 0.019 0.000 1.292 466 H HN 0.000 nan 8.280 nan 0.000 0.496