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 3jzu_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKIKQVHVRA SKIKLKETFT IALGTIESAD SAIVEIETEE GLVGYGEGGP DATA SEQUENCE GIFITGETLA GTLETIELFG QAIIGLNPFN IEKIHEVMDK ISAFAPAAKA DATA SEQUENCE AIDIACYDLM GQKAQLPLYQ LLGGYDNQVI TDITLGIDEP NVMAQKAVEK DATA SEQUENCE VKLGFDTLKI KVGTGIEADI ARVKAIREAV GFDIKLRLDA NQAWTPKDAV DATA SEQUENCE KAIQALADYQ IELVEQPVKR RDLEGLKYVT SQVNTTIMAD ESCFDAQDAL DATA SEQUENCE ELVKKGTVDV INIKLMKCGG IHEALKINQI CETAGIECMI GCMAEETTIG DATA SEQUENCE ITAAAHLAAA QKNITRADLD ATFGLETAPV TGGVSLEAKP LLELGEAAGL DATA SEQUENCE GISH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.326 55.300 0.044 0.000 0.988 1 M CB 0.000 32.648 32.600 0.080 0.000 1.302 2 K N 1.748 122.151 120.400 0.004 0.000 2.615 2 K HA 0.562 4.882 4.320 -0.000 0.000 0.249 2 K C -1.466 175.123 176.600 -0.018 0.000 0.977 2 K CA -0.557 55.725 56.287 -0.008 0.000 0.833 2 K CB 2.381 34.876 32.500 -0.008 0.000 1.208 2 K HN 0.573 nan 8.250 nan 0.000 0.443 3 I N 3.635 124.187 120.570 -0.029 0.000 2.662 3 I HA -0.114 4.056 4.170 -0.000 0.000 0.285 3 I C 1.584 177.684 176.117 -0.029 0.000 1.161 3 I CA 0.548 61.825 61.300 -0.038 0.000 1.415 3 I CB 0.478 38.448 38.000 -0.051 0.000 1.385 3 I HN 0.680 nan 8.210 nan 0.000 0.552 4 K N 6.606 126.992 120.400 -0.024 0.000 2.099 4 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 4 K C 0.203 176.792 176.600 -0.018 0.000 1.047 4 K CA 0.723 57.000 56.287 -0.016 0.000 0.963 4 K CB 0.431 32.928 32.500 -0.006 0.000 0.759 4 K HN 0.777 nan 8.250 nan 0.000 0.451 5 Q N -0.424 119.366 119.800 -0.016 0.000 2.482 5 Q HA 0.488 4.828 4.340 -0.000 0.000 0.286 5 Q C -1.514 174.461 176.000 -0.042 0.000 1.007 5 Q CA -1.159 54.623 55.803 -0.034 0.000 0.801 5 Q CB 2.447 31.191 28.738 0.010 0.000 1.455 5 Q HN -0.099 nan 8.270 nan 0.000 0.398 6 V N 1.197 121.040 119.914 -0.119 0.000 2.525 6 V HA 0.442 4.562 4.120 -0.000 0.000 0.299 6 V C -1.404 174.565 176.094 -0.208 0.000 1.034 6 V CA -0.574 61.670 62.300 -0.094 0.000 0.863 6 V CB 1.616 33.397 31.823 -0.071 0.000 0.999 6 V HN 0.769 nan 8.190 nan 0.000 0.423 7 H N 1.840 120.892 119.070 -0.030 0.000 2.621 7 H HA 0.859 5.415 4.556 -0.000 0.000 0.360 7 H C -0.750 174.566 175.328 -0.020 0.000 1.163 7 H CA -0.481 55.556 56.048 -0.020 0.000 1.194 7 H CB 2.256 32.012 29.762 -0.010 0.000 1.649 7 H HN 0.498 nan 8.280 nan 0.000 0.532 8 V N 2.461 122.433 119.914 0.098 0.000 3.049 8 V HA 0.689 4.809 4.120 -0.000 0.000 0.309 8 V C -1.564 174.550 176.094 0.033 0.000 1.148 8 V CA -0.698 61.627 62.300 0.041 0.000 0.990 8 V CB 2.045 33.867 31.823 -0.001 0.000 1.039 8 V HN 0.988 nan 8.190 nan 0.000 0.430 9 R N 4.301 124.804 120.500 0.006 0.000 2.643 9 R HA 0.871 5.211 4.340 -0.000 0.000 0.269 9 R C -0.842 175.445 176.300 -0.021 0.000 1.037 9 R CA -0.379 55.718 56.100 -0.005 0.000 0.894 9 R CB 1.837 32.132 30.300 -0.009 0.000 1.238 9 R HN 1.025 nan 8.270 nan 0.000 0.459 10 A N 1.310 124.118 122.820 -0.019 0.000 2.371 10 A HA 0.472 4.792 4.320 -0.000 0.000 0.257 10 A C -0.292 177.276 177.584 -0.027 0.000 1.089 10 A CA -0.207 51.815 52.037 -0.025 0.000 0.794 10 A CB 0.949 19.936 19.000 -0.022 0.000 1.029 10 A HN 0.657 nan 8.150 nan 0.000 0.488 11 S N 0.947 116.628 115.700 -0.032 0.000 2.557 11 S HA 0.590 5.060 4.470 -0.000 0.000 0.291 11 S C -1.028 173.555 174.600 -0.029 0.000 1.116 11 S CA -0.731 57.450 58.200 -0.032 0.000 0.992 11 S CB 0.568 63.742 63.200 -0.043 0.000 1.028 11 S HN 0.595 nan 8.310 nan 0.000 0.484 12 K N 4.569 124.957 120.400 -0.020 0.000 2.579 12 K HA 0.500 4.820 4.320 -0.000 0.000 0.250 12 K C -1.327 175.266 176.600 -0.011 0.000 0.952 12 K CA -0.326 55.950 56.287 -0.018 0.000 0.857 12 K CB 1.491 33.983 32.500 -0.014 0.000 1.123 12 K HN 0.581 nan 8.250 nan 0.000 0.433 13 I N 2.793 123.354 120.570 -0.014 0.000 2.418 13 I HA 0.242 4.412 4.170 -0.000 0.000 0.287 13 I C -0.018 176.098 176.117 -0.002 0.000 1.008 13 I CA -0.890 60.406 61.300 -0.007 0.000 1.104 13 I CB 1.707 39.700 38.000 -0.010 0.000 1.264 13 I HN 0.360 nan 8.210 nan 0.000 0.438 14 K N 6.558 126.962 120.400 0.007 0.000 2.382 14 K HA 0.337 4.657 4.320 -0.000 0.000 0.275 14 K C -0.687 175.926 176.600 0.023 0.000 1.009 14 K CA -0.263 56.033 56.287 0.015 0.000 0.970 14 K CB 0.713 33.224 32.500 0.018 0.000 0.934 14 K HN 0.539 nan 8.250 nan 0.000 0.479 15 L N 4.615 125.858 121.223 0.033 0.000 2.375 15 L HA 0.158 4.498 4.340 -0.000 0.000 0.271 15 L C 1.357 178.264 176.870 0.062 0.000 1.107 15 L CA -0.300 54.570 54.840 0.050 0.000 0.806 15 L CB 0.992 43.093 42.059 0.070 0.000 1.146 15 L HN 0.707 nan 8.230 nan 0.000 0.447 16 K N 0.957 121.402 120.400 0.074 0.000 2.280 16 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 16 K C -0.140 176.505 176.600 0.074 0.000 1.047 16 K CA 0.945 57.274 56.287 0.070 0.000 0.942 16 K CB 0.032 32.578 32.500 0.077 0.000 0.739 16 K HN 0.658 nan 8.250 nan 0.000 0.457 17 E N -0.275 119.987 120.200 0.104 0.000 2.380 17 E HA 0.093 4.442 4.350 -0.000 0.000 0.281 17 E C -1.087 175.596 176.600 0.139 0.000 0.999 17 E CA -0.968 55.488 56.400 0.094 0.000 0.800 17 E CB 0.944 30.688 29.700 0.073 0.000 1.228 17 E HN -0.010 nan 8.360 nan 0.000 0.436 18 T N -0.121 114.488 114.554 0.091 0.000 2.930 18 T HA 0.368 4.718 4.350 -0.000 0.000 0.306 18 T C -0.451 174.325 174.700 0.127 0.000 1.045 18 T CA -0.261 61.907 62.100 0.114 0.000 1.134 18 T CB 0.107 69.013 68.868 0.063 0.000 0.961 18 T HN 0.335 nan 8.240 nan 0.000 0.545 19 F N 1.493 121.461 119.950 0.031 0.000 2.469 19 F HA 0.497 5.024 4.527 -0.000 0.000 0.332 19 F C 0.480 176.300 175.800 0.034 0.000 1.103 19 F CA -0.497 57.520 58.000 0.028 0.000 0.979 19 F CB 2.274 41.293 39.000 0.032 0.000 1.137 19 F HN 0.672 nan 8.300 nan 0.000 0.463 20 T N 6.346 120.909 114.554 0.015 0.000 2.809 20 T HA 0.621 4.971 4.350 -0.000 0.000 0.284 20 T C -0.362 174.340 174.700 0.004 0.000 0.992 20 T CA -0.446 61.663 62.100 0.014 0.000 0.957 20 T CB 0.741 69.579 68.868 -0.050 0.000 0.942 20 T HN 0.499 nan 8.240 nan 0.000 0.439 21 I N -0.182 120.377 120.570 -0.019 0.000 3.170 21 I HA 0.838 5.008 4.170 -0.000 0.000 0.312 21 I C 1.428 177.450 176.117 -0.159 0.000 1.085 21 I CA -1.440 59.816 61.300 -0.072 0.000 0.999 21 I CB 1.155 39.116 38.000 -0.065 0.000 1.233 21 I HN 0.547 nan 8.210 nan 0.000 0.467 22 A N 1.910 124.628 122.820 -0.168 0.000 1.986 22 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 22 A C 1.965 179.410 177.584 -0.231 0.000 1.171 22 A CA 1.741 53.675 52.037 -0.172 0.000 0.640 22 A CB -1.050 17.846 19.000 -0.173 0.000 0.811 22 A HN 0.764 nan 8.150 nan 0.000 0.451 23 L N -2.065 118.931 121.223 -0.378 0.000 2.395 23 L HA 0.278 4.617 4.340 -0.000 0.000 0.218 23 L C 1.330 177.788 176.870 -0.688 0.000 1.130 23 L CA 0.434 54.945 54.840 -0.548 0.000 0.826 23 L CB -0.602 40.992 42.059 -0.774 0.000 0.941 23 L HN 0.614 nan 8.230 nan 0.000 0.451 24 G N -0.684 107.749 108.800 -0.611 0.000 2.352 24 G HA2 0.236 4.196 3.960 -0.000 0.000 0.283 24 G HA3 0.236 4.196 3.960 -0.000 0.000 0.283 24 G C -1.058 173.808 174.900 -0.056 0.000 1.308 24 G CA -0.127 44.806 45.100 -0.279 0.000 0.892 24 G HN -0.009 nan 8.290 nan 0.000 0.504 25 T N -2.044 112.622 114.554 0.187 0.000 2.916 25 T HA 0.804 5.154 4.350 -0.000 0.000 0.292 25 T C -0.605 174.265 174.700 0.283 0.000 1.064 25 T CA -0.536 61.691 62.100 0.211 0.000 1.011 25 T CB 2.141 71.077 68.868 0.114 0.000 1.152 25 T HN 1.566 nan 8.240 nan 0.000 0.510 26 I N 1.016 121.722 120.570 0.226 0.000 2.686 26 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 26 I C 0.071 176.260 176.117 0.121 0.000 1.114 26 I CA -0.863 60.527 61.300 0.149 0.000 1.038 26 I CB 2.136 40.205 38.000 0.116 0.000 1.238 26 I HN 1.089 nan 8.210 nan 0.000 0.420 27 E N 3.788 124.033 120.200 0.074 0.000 2.606 27 E HA 0.249 4.599 4.350 -0.000 0.000 0.224 27 E C -0.271 176.353 176.600 0.041 0.000 0.930 27 E CA -0.247 56.193 56.400 0.065 0.000 1.125 27 E CB 0.990 30.722 29.700 0.053 0.000 1.123 27 E HN 0.326 nan 8.360 nan 0.000 0.522 28 S N 0.285 115.998 115.700 0.021 0.000 2.546 28 S HA 0.621 5.091 4.470 -0.000 0.000 0.272 28 S C -1.516 173.071 174.600 -0.021 0.000 1.140 28 S CA -0.404 57.797 58.200 0.002 0.000 0.920 28 S CB 1.697 64.897 63.200 -0.001 0.000 1.083 28 S HN 0.341 nan 8.310 nan 0.000 0.476 29 A N 3.587 126.390 122.820 -0.028 0.000 2.391 29 A HA 0.531 4.851 4.320 -0.000 0.000 0.316 29 A C -0.912 176.644 177.584 -0.048 0.000 1.381 29 A CA -0.357 51.651 52.037 -0.049 0.000 0.998 29 A CB -0.167 18.801 19.000 -0.053 0.000 1.147 29 A HN 0.693 nan 8.150 nan 0.000 0.545 30 D N 2.135 122.501 120.400 -0.057 0.000 2.349 30 D HA 0.523 5.162 4.640 -0.000 0.000 0.232 30 D C 0.030 176.293 176.300 -0.062 0.000 1.071 30 D CA 0.294 54.262 54.000 -0.053 0.000 0.832 30 D CB 1.554 42.324 40.800 -0.050 0.000 1.086 30 D HN 0.546 nan 8.370 nan 0.000 0.504 31 S N 0.043 115.710 115.700 -0.055 0.000 2.651 31 S HA 0.848 5.318 4.470 -0.000 0.000 0.279 31 S C -0.943 173.628 174.600 -0.049 0.000 1.148 31 S CA -1.105 57.061 58.200 -0.057 0.000 0.837 31 S CB 1.841 65.005 63.200 -0.060 0.000 1.138 31 S HN 0.340 nan 8.310 nan 0.000 0.478 32 A N 1.171 123.963 122.820 -0.047 0.000 2.260 32 A HA 0.753 5.073 4.320 -0.000 0.000 0.314 32 A C -0.512 177.053 177.584 -0.030 0.000 1.257 32 A CA -0.762 51.252 52.037 -0.039 0.000 0.871 32 A CB -0.137 18.838 19.000 -0.042 0.000 1.166 32 A HN 0.788 nan 8.150 nan 0.000 0.522 33 I N 3.286 123.840 120.570 -0.027 0.000 2.378 33 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 33 I C -0.591 175.532 176.117 0.010 0.000 0.992 33 I CA -0.668 60.623 61.300 -0.016 0.000 1.154 33 I CB 1.836 39.805 38.000 -0.052 0.000 1.315 33 I HN 0.315 nan 8.210 nan 0.000 0.448 34 V N 5.976 125.912 119.914 0.037 0.000 2.667 34 V HA 0.416 4.536 4.120 -0.000 0.000 0.308 34 V C -0.279 175.846 176.094 0.051 0.000 1.048 34 V CA -0.666 61.657 62.300 0.039 0.000 0.928 34 V CB 2.142 33.977 31.823 0.020 0.000 1.004 34 V HN 0.663 nan 8.190 nan 0.000 0.444 35 E N 3.592 123.803 120.200 0.018 0.000 2.216 35 E HA 0.540 4.890 4.350 -0.000 0.000 0.260 35 E C -1.397 175.156 176.600 -0.079 0.000 0.880 35 E CA -0.394 55.951 56.400 -0.092 0.000 0.765 35 E CB 2.388 32.064 29.700 -0.040 0.000 1.174 35 E HN 0.504 nan 8.360 nan 0.000 0.417 36 I N 2.567 123.047 120.570 -0.151 0.000 2.362 36 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 36 I C -0.118 175.928 176.117 -0.118 0.000 0.994 36 I CA -0.511 60.729 61.300 -0.100 0.000 1.158 36 I CB 1.642 39.584 38.000 -0.097 0.000 1.315 36 I HN 0.464 nan 8.210 nan 0.000 0.451 37 E N 4.937 125.099 120.200 -0.064 0.000 2.183 37 E HA 0.419 4.769 4.350 -0.000 0.000 0.271 37 E C -0.589 175.987 176.600 -0.039 0.000 0.919 37 E CA -0.600 55.766 56.400 -0.056 0.000 0.781 37 E CB 1.639 31.326 29.700 -0.021 0.000 1.140 37 E HN 0.666 nan 8.360 nan 0.000 0.402 38 T N 1.242 115.772 114.554 -0.040 0.000 2.918 38 T HA 0.194 4.544 4.350 -0.000 0.000 0.283 38 T C 1.068 175.759 174.700 -0.015 0.000 1.001 38 T CA -0.769 61.315 62.100 -0.027 0.000 1.041 38 T CB 1.338 70.193 68.868 -0.022 0.000 1.028 38 T HN 0.459 nan 8.240 nan 0.000 0.511 39 E N 1.188 121.382 120.200 -0.010 0.000 2.114 39 E HA -0.202 4.147 4.350 -0.000 0.000 0.199 39 E C 2.098 178.696 176.600 -0.004 0.000 1.008 39 E CA 1.769 58.166 56.400 -0.006 0.000 0.810 39 E CB -0.140 29.556 29.700 -0.005 0.000 0.739 39 E HN 0.935 nan 8.360 nan 0.000 0.456 40 E N -0.179 120.019 120.200 -0.004 0.000 2.409 40 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 40 E C 1.185 177.783 176.600 -0.003 0.000 1.024 40 E CA 0.993 57.392 56.400 -0.002 0.000 0.861 40 E CB 0.014 29.715 29.700 0.002 0.000 0.788 40 E HN 0.277 nan 8.360 nan 0.000 0.521 41 G N 0.984 109.779 108.800 -0.007 0.000 2.163 41 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 41 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 41 G C 0.068 174.957 174.900 -0.017 0.000 0.991 41 G CA 0.067 45.161 45.100 -0.010 0.000 0.653 41 G HN 0.198 nan 8.290 nan 0.000 0.518 42 L N 0.881 122.090 121.223 -0.023 0.000 2.371 42 L HA 0.627 4.967 4.340 -0.000 0.000 0.272 42 L C 0.350 177.176 176.870 -0.073 0.000 1.124 42 L CA -0.857 53.962 54.840 -0.035 0.000 0.816 42 L CB 1.627 43.671 42.059 -0.026 0.000 1.129 42 L HN -0.052 nan 8.230 nan 0.000 0.448 43 V N 1.852 121.702 119.914 -0.106 0.000 2.444 43 V HA 0.582 4.702 4.120 -0.000 0.000 0.294 43 V C 0.392 176.284 176.094 -0.337 0.000 1.022 43 V CA -0.528 61.637 62.300 -0.224 0.000 0.850 43 V CB 1.556 33.228 31.823 -0.251 0.000 0.992 43 V HN 0.874 nan 8.190 nan 0.000 0.426 44 G N 3.118 111.703 108.800 -0.359 0.000 2.416 44 G HA2 0.648 4.608 3.960 -0.000 0.000 0.329 44 G HA3 0.648 4.608 3.960 -0.000 0.000 0.329 44 G C -1.643 172.996 174.900 -0.435 0.000 1.173 44 G CA -0.382 44.535 45.100 -0.305 0.000 0.929 44 G HN 0.466 nan 8.290 nan 0.000 0.475 45 Y N 0.166 120.454 120.300 -0.020 0.000 2.377 45 Y HA 0.652 5.202 4.550 -0.000 0.000 0.339 45 Y C 0.807 176.693 175.900 -0.024 0.000 1.011 45 Y CA -0.352 57.734 58.100 -0.022 0.000 1.093 45 Y CB 2.575 41.022 38.460 -0.022 0.000 1.201 45 Y HN 0.751 nan 8.280 nan 0.000 0.455 46 G N 1.489 110.362 108.800 0.122 0.000 2.619 46 G HA2 0.617 4.576 3.960 -0.000 0.000 0.296 46 G HA3 0.617 4.576 3.960 -0.000 0.000 0.296 46 G C -1.912 173.015 174.900 0.045 0.000 1.334 46 G CA -0.806 44.331 45.100 0.062 0.000 0.934 46 G HN 0.523 nan 8.290 nan 0.000 0.476 47 E N -0.563 119.648 120.200 0.017 0.000 2.356 47 E HA 0.611 4.961 4.350 -0.000 0.000 0.275 47 E C -0.737 175.852 176.600 -0.018 0.000 0.904 47 E CA -1.099 55.298 56.400 -0.005 0.000 0.757 47 E CB 2.096 31.784 29.700 -0.020 0.000 1.232 47 E HN 0.753 nan 8.360 nan 0.000 0.442 48 G N 1.676 110.459 108.800 -0.029 0.000 2.938 48 G HA2 0.526 4.486 3.960 -0.000 0.000 0.308 48 G HA3 0.526 4.486 3.960 -0.000 0.000 0.308 48 G C -0.476 174.388 174.900 -0.060 0.000 1.422 48 G CA -0.530 44.544 45.100 -0.042 0.000 1.071 48 G HN 0.432 nan 8.290 nan 0.000 0.530 49 G N 3.907 112.664 108.800 -0.072 0.000 2.800 49 G HA2 0.615 4.575 3.960 -0.000 0.000 0.340 49 G HA3 0.615 4.575 3.960 -0.000 0.000 0.340 49 G C -2.353 172.485 174.900 -0.103 0.000 1.089 49 G CA -1.293 43.755 45.100 -0.086 0.000 1.144 49 G HN 0.421 nan 8.290 nan 0.000 0.461 50 P HA 0.252 nan 4.420 nan 0.000 0.281 50 P C 0.222 177.430 177.300 -0.153 0.000 1.252 50 P CA -0.073 62.958 63.100 -0.114 0.000 0.778 50 P CB 2.097 33.741 31.700 -0.094 0.000 0.895 51 G N 3.526 112.224 108.800 -0.171 0.000 2.547 51 G HA2 0.205 4.165 3.960 -0.000 0.000 0.327 51 G HA3 0.205 4.165 3.960 -0.000 0.000 0.327 51 G C 0.871 175.617 174.900 -0.258 0.000 1.118 51 G CA -0.611 44.312 45.100 -0.295 0.000 1.022 51 G HN 0.590 nan 8.290 nan 0.000 0.464 52 I N 2.574 122.970 120.570 -0.290 0.000 2.248 52 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 52 I C 1.980 178.090 176.117 -0.012 0.000 1.107 52 I CA 1.345 62.568 61.300 -0.129 0.000 1.373 52 I CB 0.117 38.056 38.000 -0.103 0.000 1.055 52 I HN 0.657 nan 8.210 nan 0.000 0.418 53 F N -1.282 118.693 119.950 0.042 0.000 2.731 53 F HA 0.236 4.763 4.527 -0.000 0.000 0.304 53 F C 1.349 177.188 175.800 0.066 0.000 1.133 53 F CA -0.387 57.642 58.000 0.048 0.000 1.380 53 F CB -0.238 38.781 39.000 0.032 0.000 1.079 53 F HN -0.102 nan 8.300 nan 0.000 0.550 54 I N 0.694 121.443 120.570 0.298 0.000 3.518 54 I HA -0.018 4.152 4.170 -0.000 0.000 0.260 54 I C 2.268 178.578 176.117 0.321 0.000 1.148 54 I CA 1.468 62.936 61.300 0.279 0.000 1.440 54 I CB -0.700 37.383 38.000 0.138 0.000 1.485 54 I HN 0.265 nan 8.210 nan 0.000 0.456 55 T N -2.433 112.269 114.554 0.247 0.000 2.985 55 T HA 0.346 4.695 4.350 -0.000 0.000 0.254 55 T C 1.518 176.441 174.700 0.371 0.000 1.021 55 T CA 0.767 63.120 62.100 0.421 0.000 0.957 55 T CB 0.855 69.910 68.868 0.311 0.000 1.047 55 T HN 0.486 nan 8.240 nan 0.000 0.511 56 G N 1.300 110.225 108.800 0.209 0.000 2.199 56 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 56 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 56 G C -0.154 174.817 174.900 0.119 0.000 0.982 56 G CA 0.100 45.296 45.100 0.160 0.000 0.632 56 G HN 0.664 nan 8.290 nan 0.000 0.529 57 E N 1.125 121.385 120.200 0.099 0.000 2.390 57 E HA 0.502 4.852 4.350 -0.000 0.000 0.261 57 E C 0.797 177.386 176.600 -0.018 0.000 1.076 57 E CA 0.657 57.073 56.400 0.027 0.000 0.905 57 E CB 0.688 30.369 29.700 -0.032 0.000 0.984 57 E HN 0.472 nan 8.360 nan 0.000 0.427 58 T N -0.929 113.608 114.554 -0.028 0.000 2.916 58 T HA 0.244 4.594 4.350 -0.000 0.000 0.292 58 T C 0.546 175.215 174.700 -0.052 0.000 1.064 58 T CA -0.920 61.156 62.100 -0.041 0.000 1.011 58 T CB 1.115 69.967 68.868 -0.026 0.000 1.152 58 T HN 0.329 nan 8.240 nan 0.000 0.510 59 L N 1.694 122.885 121.223 -0.054 0.000 2.017 59 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 59 L C 2.752 179.591 176.870 -0.051 0.000 1.073 59 L CA 2.562 57.369 54.840 -0.054 0.000 0.745 59 L CB -1.352 40.678 42.059 -0.048 0.000 0.894 59 L HN 0.942 nan 8.230 nan 0.000 0.432 60 A N -0.547 122.248 122.820 -0.043 0.000 1.902 60 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 60 A C 2.330 179.883 177.584 -0.053 0.000 1.181 60 A CA 1.591 53.603 52.037 -0.042 0.000 0.623 60 A CB -1.598 17.383 19.000 -0.032 0.000 0.818 60 A HN 0.543 nan 8.150 nan 0.000 0.443 61 G N -1.247 107.522 108.800 -0.051 0.000 2.402 61 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.216 61 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.216 61 G C 1.560 176.403 174.900 -0.095 0.000 1.162 61 G CA 1.597 46.660 45.100 -0.062 0.000 0.777 61 G HN 0.430 nan 8.290 nan 0.000 0.539 62 T N 1.380 115.880 114.554 -0.090 0.000 2.746 62 T HA -0.015 4.334 4.350 -0.000 0.000 0.267 62 T C 2.414 177.042 174.700 -0.120 0.000 1.039 62 T CA 0.777 62.812 62.100 -0.109 0.000 1.142 62 T CB -0.169 68.648 68.868 -0.085 0.000 0.866 62 T HN 0.133 nan 8.240 nan 0.000 0.444 63 L N 0.616 121.783 121.223 -0.094 0.000 2.046 63 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 63 L C 2.815 179.617 176.870 -0.112 0.000 1.077 63 L CA 1.494 56.282 54.840 -0.087 0.000 0.747 63 L CB -0.454 41.568 42.059 -0.061 0.000 0.896 63 L HN 0.350 nan 8.230 nan 0.000 0.432 64 E N -0.390 119.740 120.200 -0.116 0.000 2.072 64 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 64 E C 1.942 178.418 176.600 -0.207 0.000 0.985 64 E CA 1.725 58.048 56.400 -0.129 0.000 0.801 64 E CB 0.116 29.755 29.700 -0.101 0.000 0.750 64 E HN 0.363 nan 8.360 nan 0.000 0.452 65 T N 1.159 115.546 114.554 -0.279 0.000 2.777 65 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 65 T C 1.886 176.148 174.700 -0.731 0.000 1.040 65 T CA 1.222 63.007 62.100 -0.524 0.000 1.141 65 T CB -0.178 68.373 68.868 -0.528 0.000 0.868 65 T HN 0.182 nan 8.240 nan 0.000 0.444 66 I N 1.008 121.323 120.570 -0.425 0.000 2.208 66 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 66 I C 2.673 178.695 176.117 -0.159 0.000 1.097 66 I CA 1.425 62.582 61.300 -0.238 0.000 1.363 66 I CB -0.359 37.586 38.000 -0.091 0.000 1.051 66 I HN 0.343 nan 8.210 nan 0.000 0.413 67 E N 0.611 120.715 120.200 -0.159 0.000 2.077 67 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 67 E C 2.356 178.897 176.600 -0.098 0.000 0.989 67 E CA 1.133 57.469 56.400 -0.108 0.000 0.800 67 E CB -0.099 29.542 29.700 -0.098 0.000 0.746 67 E HN 0.488 nan 8.360 nan 0.000 0.452 68 L N 0.112 121.239 121.223 -0.160 0.000 2.046 68 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 68 L C 2.404 179.294 176.870 0.034 0.000 1.077 68 L CA 0.939 55.717 54.840 -0.102 0.000 0.747 68 L CB -0.458 41.499 42.059 -0.169 0.000 0.896 68 L HN 0.112 nan 8.230 nan 0.000 0.432 69 F N 0.505 120.422 119.950 -0.055 0.000 2.171 69 F HA -0.094 4.432 4.527 -0.000 0.000 0.300 69 F C 2.537 178.294 175.800 -0.071 0.000 1.090 69 F CA 0.918 58.879 58.000 -0.065 0.000 1.293 69 F CB -1.753 37.201 39.000 -0.076 0.000 1.013 69 F HN 0.020 nan 8.300 nan 0.000 0.486 70 G N -0.511 108.358 108.800 0.115 0.000 2.446 70 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 70 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 70 G C 1.561 176.458 174.900 -0.004 0.000 1.168 70 G CA 0.719 45.833 45.100 0.022 0.000 0.771 70 G HN 0.369 nan 8.290 nan 0.000 0.551 71 Q N 0.171 119.967 119.800 -0.007 0.000 2.124 71 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 71 Q C 2.923 178.921 176.000 -0.003 0.000 0.977 71 Q CA 1.193 56.986 55.803 -0.016 0.000 0.850 71 Q CB -0.238 28.489 28.738 -0.018 0.000 0.901 71 Q HN 0.496 nan 8.270 nan 0.000 0.429 72 A N 1.280 124.113 122.820 0.022 0.000 2.066 72 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 72 A C 1.943 179.521 177.584 -0.010 0.000 1.157 72 A CA 0.830 52.877 52.037 0.017 0.000 0.670 72 A CB -0.513 18.517 19.000 0.050 0.000 0.804 72 A HN 0.528 nan 8.150 nan 0.000 0.453 73 I N -3.401 117.158 120.570 -0.018 0.000 3.883 73 I HA 0.344 4.514 4.170 -0.000 0.000 0.326 73 I C -0.008 176.083 176.117 -0.043 0.000 1.283 73 I CA -0.398 60.875 61.300 -0.046 0.000 1.161 73 I CB -0.088 37.869 38.000 -0.072 0.000 1.012 73 I HN -0.029 nan 8.210 nan 0.000 0.421 74 I N 3.486 124.036 120.570 -0.033 0.000 2.668 74 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 74 I C 1.493 177.593 176.117 -0.029 0.000 1.168 74 I CA 1.408 62.688 61.300 -0.033 0.000 1.424 74 I CB 0.495 38.476 38.000 -0.031 0.000 1.377 74 I HN 0.569 nan 8.210 nan 0.000 0.560 75 G N 5.225 114.008 108.800 -0.028 0.000 2.258 75 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.233 75 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.233 75 G C 0.263 175.149 174.900 -0.024 0.000 1.006 75 G CA -0.502 44.585 45.100 -0.023 0.000 0.620 75 G HN 0.445 nan 8.290 nan 0.000 0.511 76 L N 0.926 122.129 121.223 -0.034 0.000 2.464 76 L HA 0.367 4.707 4.340 -0.000 0.000 0.264 76 L C 0.676 177.527 176.870 -0.033 0.000 1.199 76 L CA -0.734 54.083 54.840 -0.037 0.000 0.818 76 L CB 0.478 42.504 42.059 -0.055 0.000 1.102 76 L HN 0.241 nan 8.230 nan 0.000 0.473 77 N N 1.862 120.550 118.700 -0.020 0.000 2.444 77 N HA 0.172 4.912 4.740 -0.000 0.000 0.271 77 N C -1.982 173.515 175.510 -0.022 0.000 1.069 77 N CA -1.920 51.135 53.050 0.008 0.000 0.965 77 N CB 1.743 40.258 38.487 0.046 0.000 1.092 77 N HN 0.198 nan 8.380 nan 0.000 0.476 78 P HA -0.074 nan 4.420 nan 0.000 0.217 78 P C 0.816 177.951 177.300 -0.276 0.000 1.148 78 P CA 1.181 64.165 63.100 -0.193 0.000 0.828 78 P CB 0.023 31.576 31.700 -0.244 0.000 0.783 79 F N -1.314 118.553 119.950 -0.138 0.000 2.365 79 F HA -0.044 4.482 4.527 -0.000 0.000 0.300 79 F C 1.375 177.098 175.800 -0.127 0.000 1.090 79 F CA 0.798 58.712 58.000 -0.142 0.000 1.408 79 F CB -0.709 38.232 39.000 -0.098 0.000 1.060 79 F HN -0.132 nan 8.300 nan 0.000 0.534 80 N N 1.177 119.895 118.700 0.029 0.000 3.303 80 N HA -0.014 4.726 4.740 -0.000 0.000 0.304 80 N C 1.324 176.779 175.510 -0.091 0.000 1.302 80 N CA 0.089 53.131 53.050 -0.013 0.000 1.213 80 N CB -0.478 38.001 38.487 -0.013 0.000 1.481 80 N HN 0.173 nan 8.380 nan 0.000 0.546 81 I N 0.446 120.936 120.570 -0.134 0.000 2.454 81 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 81 I C 1.792 177.767 176.117 -0.238 0.000 1.156 81 I CA 1.317 62.493 61.300 -0.205 0.000 1.433 81 I CB 0.162 38.030 38.000 -0.220 0.000 1.082 81 I HN 0.288 nan 8.210 nan 0.000 0.432 82 E N 0.610 120.712 120.200 -0.164 0.000 2.031 82 E HA -0.301 4.048 4.350 -0.000 0.000 0.193 82 E C 2.157 178.713 176.600 -0.074 0.000 0.994 82 E CA 1.462 57.795 56.400 -0.112 0.000 0.800 82 E CB -0.360 29.344 29.700 0.007 0.000 0.752 82 E HN 0.546 nan 8.360 nan 0.000 0.447 83 K N 0.806 121.165 120.400 -0.068 0.000 2.097 83 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 83 K C 2.292 178.827 176.600 -0.108 0.000 1.050 83 K CA 0.646 56.894 56.287 -0.064 0.000 0.938 83 K CB -0.086 32.383 32.500 -0.052 0.000 0.718 83 K HN 0.016 nan 8.250 nan 0.000 0.442 84 I N 0.701 121.175 120.570 -0.160 0.000 2.163 84 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 84 I C 2.332 178.248 176.117 -0.335 0.000 1.085 84 I CA 1.267 62.415 61.300 -0.252 0.000 1.347 84 I CB -0.421 37.398 38.000 -0.301 0.000 1.044 84 I HN 0.339 nan 8.210 nan 0.000 0.408 85 H N 0.081 119.010 119.070 -0.234 0.000 2.428 85 H HA -0.133 4.422 4.556 -0.000 0.000 0.296 85 H C 2.092 177.326 175.328 -0.157 0.000 1.062 85 H CA 1.278 57.199 56.048 -0.212 0.000 1.350 85 H CB 0.022 29.671 29.762 -0.187 0.000 1.403 85 H HN 0.455 nan 8.280 nan 0.000 0.533 86 E N 0.732 120.921 120.200 -0.019 0.000 2.051 86 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 86 E C 2.284 178.854 176.600 -0.050 0.000 0.991 86 E CA 1.130 57.520 56.400 -0.016 0.000 0.799 86 E CB 0.214 29.905 29.700 -0.015 0.000 0.748 86 E HN 0.093 nan 8.360 nan 0.000 0.449 87 V N 1.158 121.015 119.914 -0.095 0.000 2.295 87 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 87 V C 2.485 178.492 176.094 -0.145 0.000 1.049 87 V CA 2.008 64.249 62.300 -0.099 0.000 1.024 87 V CB -0.421 31.335 31.823 -0.112 0.000 0.648 87 V HN 0.388 nan 8.190 nan 0.000 0.447 88 M N -0.473 118.923 119.600 -0.339 0.000 2.159 88 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 88 M C 1.916 178.100 176.300 -0.192 0.000 1.063 88 M CA 1.717 56.635 55.300 -0.637 0.000 1.110 88 M CB -0.671 31.198 32.600 -1.218 0.000 1.374 88 M HN 0.320 nan 8.290 nan 0.000 0.411 89 D N 0.338 120.684 120.400 -0.089 0.000 2.178 89 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 89 D C 1.997 178.330 176.300 0.055 0.000 0.974 89 D CA 0.953 54.969 54.000 0.027 0.000 0.841 89 D CB -0.245 40.581 40.800 0.044 0.000 0.953 89 D HN 0.122 nan 8.370 nan 0.000 0.478 90 K N 0.567 120.987 120.400 0.034 0.000 2.103 90 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 90 K C 2.196 178.843 176.600 0.079 0.000 1.052 90 K CA 0.270 56.586 56.287 0.047 0.000 0.945 90 K CB -0.209 32.307 32.500 0.027 0.000 0.722 90 K HN 0.239 nan 8.250 nan 0.000 0.443 91 I N -0.208 120.433 120.570 0.119 0.000 2.193 91 I HA -0.149 4.021 4.170 -0.000 0.000 0.240 91 I C 1.122 177.348 176.117 0.181 0.000 1.084 91 I CA 0.558 61.963 61.300 0.175 0.000 1.365 91 I CB 0.030 38.221 38.000 0.319 0.000 1.064 91 I HN -0.069 nan 8.210 nan 0.000 0.410 92 S N -0.363 115.488 115.700 0.252 0.000 2.502 92 S HA 0.595 5.065 4.470 -0.000 0.000 0.304 92 S C 0.536 175.248 174.600 0.186 0.000 1.097 92 S CA -0.396 57.927 58.200 0.206 0.000 1.045 92 S CB 1.809 65.154 63.200 0.242 0.000 1.019 92 S HN 0.222 nan 8.310 nan 0.000 0.481 93 A N 3.753 126.674 122.820 0.168 0.000 2.066 93 A HA 0.348 4.667 4.320 -0.000 0.000 0.218 93 A C 0.250 178.013 177.584 0.297 0.000 1.157 93 A CA 0.612 52.759 52.037 0.183 0.000 0.670 93 A CB -0.234 18.853 19.000 0.144 0.000 0.804 93 A HN 0.989 nan 8.150 nan 0.000 0.453 94 F N -1.906 118.104 119.950 0.101 0.000 2.881 94 F HA 0.499 5.026 4.527 -0.000 0.000 0.348 94 F C -0.650 175.219 175.800 0.114 0.000 1.240 94 F CA -0.301 57.764 58.000 0.108 0.000 1.130 94 F CB 0.920 39.973 39.000 0.088 0.000 1.417 94 F HN 0.174 nan 8.300 nan 0.000 0.585 95 A N 7.353 129.888 122.820 -0.475 0.000 3.134 95 A HA 0.363 4.683 4.320 -0.000 0.000 0.237 95 A C -2.500 174.928 177.584 -0.260 0.000 1.233 95 A CA -0.474 51.335 52.037 -0.380 0.000 1.112 95 A CB -0.224 18.721 19.000 -0.092 0.000 1.365 95 A HN 0.383 nan 8.150 nan 0.000 0.796 96 P HA -0.218 nan 4.420 nan 0.000 0.217 96 P C 1.543 178.782 177.300 -0.102 0.000 1.148 96 P CA 2.014 65.002 63.100 -0.185 0.000 0.828 96 P CB 0.239 31.819 31.700 -0.200 0.000 0.783 97 A N 0.535 123.275 122.820 -0.133 0.000 1.898 97 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 97 A C 2.537 180.105 177.584 -0.025 0.000 1.181 97 A CA 1.971 53.959 52.037 -0.082 0.000 0.620 97 A CB -1.466 17.474 19.000 -0.099 0.000 0.819 97 A HN 0.235 nan 8.150 nan 0.000 0.442 98 A N -0.120 122.697 122.820 -0.004 0.000 1.898 98 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 98 A C 2.106 179.842 177.584 0.254 0.000 1.181 98 A CA 1.721 53.803 52.037 0.075 0.000 0.620 98 A CB -0.399 18.579 19.000 -0.036 0.000 0.819 98 A HN 0.523 nan 8.150 nan 0.000 0.442 99 K N -0.222 120.340 120.400 0.269 0.000 2.057 99 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 99 K C 2.286 178.917 176.600 0.051 0.000 1.049 99 K CA 1.117 57.474 56.287 0.117 0.000 0.931 99 K CB -0.326 32.213 32.500 0.065 0.000 0.714 99 K HN 0.426 nan 8.250 nan 0.000 0.440 100 A N 1.573 124.427 122.820 0.057 0.000 1.933 100 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 100 A C 2.364 179.967 177.584 0.030 0.000 1.175 100 A CA 1.802 53.864 52.037 0.041 0.000 0.628 100 A CB -0.662 18.340 19.000 0.002 0.000 0.814 100 A HN 0.339 nan 8.150 nan 0.000 0.444 101 A N 0.205 123.045 122.820 0.032 0.000 1.865 101 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 101 A C 2.039 179.640 177.584 0.027 0.000 1.191 101 A CA 1.722 53.776 52.037 0.028 0.000 0.623 101 A CB -0.511 18.506 19.000 0.030 0.000 0.826 101 A HN 0.410 nan 8.150 nan 0.000 0.444 102 I N 0.356 120.944 120.570 0.030 0.000 2.202 102 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 102 I C 2.331 178.418 176.117 -0.050 0.000 1.091 102 I CA 1.800 63.087 61.300 -0.021 0.000 1.368 102 I CB -1.395 36.568 38.000 -0.062 0.000 1.058 102 I HN 0.489 nan 8.210 nan 0.000 0.410 103 D N 1.445 121.820 120.400 -0.041 0.000 2.103 103 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 103 D C 2.305 178.716 176.300 0.185 0.000 0.997 103 D CA 1.655 55.699 54.000 0.072 0.000 0.833 103 D CB -0.005 40.903 40.800 0.179 0.000 0.961 103 D HN 0.304 nan 8.370 nan 0.000 0.447 104 I N 1.221 121.855 120.570 0.106 0.000 2.208 104 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 104 I C 2.772 178.938 176.117 0.082 0.000 1.097 104 I CA 1.230 62.584 61.300 0.090 0.000 1.363 104 I CB -0.347 37.673 38.000 0.032 0.000 1.051 104 I HN 0.033 nan 8.210 nan 0.000 0.413 105 A N -0.202 122.639 122.820 0.035 0.000 1.933 105 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 105 A C 2.441 179.993 177.584 -0.053 0.000 1.175 105 A CA 1.843 53.873 52.037 -0.013 0.000 0.628 105 A CB -1.187 17.790 19.000 -0.038 0.000 0.814 105 A HN 0.552 nan 8.150 nan 0.000 0.444 106 C N -2.335 116.929 119.300 -0.060 0.000 2.440 106 C HA -0.074 4.386 4.460 -0.000 0.000 0.278 106 C C 2.459 177.299 174.990 -0.250 0.000 1.295 106 C CA 0.856 59.770 59.018 -0.172 0.000 1.738 106 C CB -1.601 26.012 27.740 -0.212 0.000 1.987 106 C HN 0.708 nan 8.230 nan 0.000 0.492 107 Y N 0.752 120.962 120.300 -0.150 0.000 2.352 107 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 107 Y C 2.198 178.005 175.900 -0.156 0.000 1.136 107 Y CA 1.859 59.867 58.100 -0.154 0.000 1.227 107 Y CB -0.430 37.982 38.460 -0.080 0.000 0.991 107 Y HN 0.337 nan 8.280 nan 0.000 0.545 108 D N -0.076 120.324 120.400 0.000 0.000 2.097 108 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 108 D C 2.046 178.295 176.300 -0.084 0.000 0.984 108 D CA 1.165 55.145 54.000 -0.033 0.000 0.826 108 D CB -0.214 40.584 40.800 -0.004 0.000 0.973 108 D HN 0.257 nan 8.370 nan 0.000 0.460 109 L N -0.293 120.849 121.223 -0.135 0.000 2.083 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 109 L C 2.693 179.436 176.870 -0.212 0.000 1.083 109 L CA 0.790 55.536 54.840 -0.156 0.000 0.752 109 L CB -0.331 41.623 42.059 -0.175 0.000 0.899 109 L HN 0.160 nan 8.230 nan 0.000 0.433 110 M N -0.711 118.642 119.600 -0.411 0.000 2.086 110 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 110 M C 2.308 178.513 176.300 -0.158 0.000 1.067 110 M CA 2.031 56.925 55.300 -0.678 0.000 1.116 110 M CB -0.903 31.095 32.600 -1.004 0.000 1.348 110 M HN 0.360 nan 8.290 nan 0.000 0.407 111 G N -0.504 108.236 108.800 -0.101 0.000 2.432 111 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.219 111 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.219 111 G C 1.396 176.303 174.900 0.011 0.000 1.135 111 G CA 0.567 45.659 45.100 -0.013 0.000 0.767 111 G HN 0.517 nan 8.290 nan 0.000 0.550 112 Q N -0.642 119.156 119.800 -0.003 0.000 2.269 112 Q HA 0.058 4.398 4.340 -0.000 0.000 0.201 112 Q C 2.384 178.411 176.000 0.045 0.000 0.946 112 Q CA 0.942 56.755 55.803 0.016 0.000 0.877 112 Q CB 0.051 28.788 28.738 -0.000 0.000 0.963 112 Q HN 0.331 nan 8.270 nan 0.000 0.472 113 K N 1.067 121.518 120.400 0.086 0.000 2.103 113 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 113 K C 1.505 178.183 176.600 0.130 0.000 1.052 113 K CA 1.227 57.599 56.287 0.141 0.000 0.945 113 K CB -0.094 32.592 32.500 0.310 0.000 0.722 113 K HN 0.117 nan 8.250 nan 0.000 0.443 114 A N 0.231 123.149 122.820 0.164 0.000 2.251 114 A HA 0.071 4.391 4.320 -0.000 0.000 0.209 114 A C -0.290 177.327 177.584 0.055 0.000 1.187 114 A CA 0.279 52.381 52.037 0.108 0.000 0.823 114 A CB -0.341 18.753 19.000 0.156 0.000 0.846 114 A HN 0.457 nan 8.150 nan 0.000 0.486 115 Q N -1.117 118.711 119.800 0.048 0.000 2.453 115 Q HA -0.169 4.171 4.340 -0.000 0.000 0.330 115 Q C -1.156 174.852 176.000 0.013 0.000 1.417 115 Q CA 0.728 56.547 55.803 0.027 0.000 0.902 115 Q CB -1.732 27.019 28.738 0.022 0.000 1.154 115 Q HN 0.659 nan 8.270 nan 0.000 0.395 116 L N -1.226 120.000 121.223 0.005 0.000 2.465 116 L HA 0.598 4.938 4.340 -0.000 0.000 0.257 116 L C -2.471 174.361 176.870 -0.063 0.000 0.988 116 L CA -2.498 52.322 54.840 -0.034 0.000 0.827 116 L CB 2.162 44.201 42.059 -0.033 0.000 1.397 116 L HN -0.147 nan 8.230 nan 0.000 0.410 117 P HA 0.047 nan 4.420 nan 0.000 0.268 117 P C 0.430 177.644 177.300 -0.144 0.000 1.205 117 P CA -0.336 62.676 63.100 -0.146 0.000 0.771 117 P CB 0.750 32.195 31.700 -0.425 0.000 0.858 118 L N 4.736 125.974 121.223 0.026 0.000 2.081 118 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 118 L C 1.995 178.997 176.870 0.220 0.000 1.080 118 L CA 1.962 56.844 54.840 0.070 0.000 0.754 118 L CB -1.584 40.390 42.059 -0.143 0.000 0.893 118 L HN 0.471 nan 8.230 nan 0.000 0.433 119 Y N -1.950 118.634 120.300 0.474 0.000 2.483 119 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 119 Y C 2.120 178.108 175.900 0.146 0.000 1.143 119 Y CA 1.003 59.241 58.100 0.229 0.000 1.289 119 Y CB -1.067 37.428 38.460 0.060 0.000 0.983 119 Y HN 0.263 nan 8.280 nan 0.000 0.556 120 Q N 0.822 120.474 119.800 -0.247 0.000 2.137 120 Q HA 0.035 4.375 4.340 -0.000 0.000 0.198 120 Q C 2.286 178.305 176.000 0.031 0.000 0.960 120 Q CA 1.162 56.899 55.803 -0.109 0.000 0.847 120 Q CB -0.170 28.423 28.738 -0.242 0.000 0.915 120 Q HN 0.612 nan 8.270 nan 0.000 0.448 121 L N 0.214 121.463 121.223 0.045 0.000 2.291 121 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 121 L C 1.853 178.808 176.870 0.142 0.000 1.120 121 L CA 0.564 55.466 54.840 0.103 0.000 0.799 121 L CB -0.197 41.935 42.059 0.123 0.000 0.925 121 L HN 0.130 nan 8.230 nan 0.000 0.446 122 L N -0.937 120.379 121.223 0.154 0.000 2.611 122 L HA 0.236 4.576 4.340 -0.000 0.000 0.229 122 L C 1.373 178.321 176.870 0.130 0.000 1.137 122 L CA 0.596 55.525 54.840 0.148 0.000 0.901 122 L CB 0.103 42.245 42.059 0.139 0.000 1.098 122 L HN 0.412 nan 8.230 nan 0.000 0.456 123 G N -1.373 107.512 108.800 0.141 0.000 3.211 123 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.202 123 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.202 123 G C 0.921 175.931 174.900 0.183 0.000 1.035 123 G CA -0.144 45.039 45.100 0.138 0.000 0.846 123 G HN 0.269 nan 8.290 nan 0.000 0.464 124 G N -0.243 108.699 108.800 0.237 0.000 2.258 124 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.274 124 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.274 124 G C 0.813 175.863 174.900 0.250 0.000 1.021 124 G CA 1.287 46.556 45.100 0.283 0.000 0.798 124 G HN 1.435 nan 8.290 nan 0.000 0.507 125 Y N 0.464 120.819 120.300 0.092 0.000 2.352 125 Y HA 0.298 4.848 4.550 -0.000 0.000 0.292 125 Y C 1.173 177.080 175.900 0.012 0.000 1.136 125 Y CA 1.567 59.693 58.100 0.044 0.000 1.227 125 Y CB 0.463 38.939 38.460 0.027 0.000 0.991 125 Y HN 0.377 nan 8.280 nan 0.000 0.545 126 D N -2.049 118.363 120.400 0.020 0.000 2.671 126 D HA 0.109 4.748 4.640 -0.000 0.000 0.273 126 D C -1.017 175.073 176.300 -0.350 0.000 1.264 126 D CA -0.276 53.634 54.000 -0.151 0.000 0.788 126 D CB 0.553 41.281 40.800 -0.120 0.000 1.324 126 D HN 0.108 nan 8.370 nan 0.000 0.424 127 N N 0.118 118.524 118.700 -0.490 0.000 2.238 127 N HA 0.131 4.871 4.740 -0.000 0.000 0.235 127 N C -0.463 174.685 175.510 -0.602 0.000 1.209 127 N CA -0.202 52.259 53.050 -0.982 0.000 0.879 127 N CB 0.363 38.435 38.487 -0.691 0.000 1.136 127 N HN 0.531 nan 8.380 nan 0.000 0.517 128 Q N -1.851 117.729 119.800 -0.366 0.000 2.630 128 Q HA 0.675 5.015 4.340 -0.000 0.000 0.295 128 Q C -1.914 174.001 176.000 -0.141 0.000 0.944 128 Q CA -1.179 54.490 55.803 -0.222 0.000 0.766 128 Q CB 2.022 30.669 28.738 -0.152 0.000 1.471 128 Q HN -0.086 nan 8.270 nan 0.000 0.416 129 V N 1.102 120.966 119.914 -0.083 0.000 2.932 129 V HA 0.625 4.744 4.120 -0.000 0.000 0.307 129 V C -1.690 174.405 176.094 0.002 0.000 1.147 129 V CA -0.753 61.527 62.300 -0.033 0.000 0.951 129 V CB 2.070 33.880 31.823 -0.022 0.000 1.031 129 V HN 0.835 nan 8.190 nan 0.000 0.426 130 I N 4.828 125.411 120.570 0.022 0.000 2.392 130 I HA 0.536 4.706 4.170 -0.000 0.000 0.295 130 I C 0.131 176.303 176.117 0.092 0.000 0.985 130 I CA -0.220 61.109 61.300 0.047 0.000 1.221 130 I CB 1.913 39.934 38.000 0.035 0.000 1.366 130 I HN 0.735 nan 8.210 nan 0.000 0.467 131 T N 3.413 118.066 114.554 0.164 0.000 2.908 131 T HA 0.376 4.726 4.350 -0.000 0.000 0.290 131 T C -0.637 174.257 174.700 0.324 0.000 1.034 131 T CA -0.750 61.476 62.100 0.212 0.000 1.010 131 T CB 1.323 70.326 68.868 0.226 0.000 1.068 131 T HN 0.701 nan 8.240 nan 0.000 0.481 132 D N 2.398 122.932 120.400 0.223 0.000 2.447 132 D HA 0.480 5.120 4.640 -0.000 0.000 0.265 132 D C -0.208 176.162 176.300 0.116 0.000 1.250 132 D CA -0.540 53.580 54.000 0.201 0.000 1.046 132 D CB 0.520 41.378 40.800 0.098 0.000 1.095 132 D HN 0.599 nan 8.370 nan 0.000 0.555 133 I N -1.591 118.911 120.570 -0.114 0.000 2.686 133 I HA 0.322 4.491 4.170 -0.000 0.000 0.295 133 I C -1.134 174.925 176.117 -0.096 0.000 1.114 133 I CA -0.505 60.651 61.300 -0.240 0.000 1.038 133 I CB 2.084 39.554 38.000 -0.884 0.000 1.238 133 I HN 0.342 nan 8.210 nan 0.000 0.420 134 T N 7.439 121.993 114.554 0.000 0.000 2.875 134 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 134 T C -0.369 174.484 174.700 0.254 0.000 0.995 134 T CA -0.350 61.812 62.100 0.103 0.000 1.060 134 T CB 1.001 69.936 68.868 0.111 0.000 0.967 134 T HN 0.322 nan 8.240 nan 0.000 0.476 135 L N 2.526 123.841 121.223 0.153 0.000 2.296 135 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 135 L C 1.104 177.958 176.870 -0.028 0.000 1.023 135 L CA -0.849 54.018 54.840 0.046 0.000 0.812 135 L CB 1.241 43.289 42.059 -0.018 0.000 1.223 135 L HN 0.746 nan 8.230 nan 0.000 0.421 136 G N 3.230 111.796 108.800 -0.390 0.000 2.572 136 G HA2 0.430 4.390 3.960 -0.000 0.000 0.261 136 G HA3 0.430 4.390 3.960 -0.000 0.000 0.261 136 G C 0.042 174.799 174.900 -0.239 0.000 1.197 136 G CA -0.693 44.146 45.100 -0.435 0.000 0.870 136 G HN 0.489 nan 8.290 nan 0.000 0.548 137 I N 1.087 121.567 120.570 -0.150 0.000 2.710 137 I HA 0.108 4.277 4.170 -0.000 0.000 0.286 137 I C 0.338 176.385 176.117 -0.115 0.000 1.181 137 I CA 0.790 62.028 61.300 -0.102 0.000 1.430 137 I CB 0.437 38.394 38.000 -0.071 0.000 1.367 137 I HN 0.408 nan 8.210 nan 0.000 0.577 138 D N 3.846 124.193 120.400 -0.087 0.000 2.865 138 D HA 0.131 4.771 4.640 -0.000 0.000 0.343 138 D C -1.093 175.174 176.300 -0.055 0.000 1.372 138 D CA -0.523 53.430 54.000 -0.079 0.000 0.862 138 D CB 1.403 42.143 40.800 -0.100 0.000 1.425 138 D HN 0.270 nan 8.370 nan 0.000 0.501 139 E N 0.861 121.032 120.200 -0.048 0.000 2.392 139 E HA 0.156 4.506 4.350 -0.000 0.000 0.264 139 E C -1.674 174.903 176.600 -0.038 0.000 1.024 139 E CA -1.171 55.207 56.400 -0.037 0.000 0.903 139 E CB 0.614 30.295 29.700 -0.031 0.000 0.963 139 E HN 0.163 nan 8.360 nan 0.000 0.432 140 P HA -0.179 nan 4.420 nan 0.000 0.216 140 P C 0.524 177.804 177.300 -0.035 0.000 1.150 140 P CA 1.389 64.466 63.100 -0.037 0.000 0.843 140 P CB 0.296 31.975 31.700 -0.036 0.000 0.787 141 N N -1.014 117.668 118.700 -0.029 0.000 2.084 141 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 141 N C 1.625 177.118 175.510 -0.029 0.000 1.030 141 N CA 1.086 54.121 53.050 -0.025 0.000 0.849 141 N CB -1.504 36.971 38.487 -0.021 0.000 1.012 141 N HN -0.022 nan 8.380 nan 0.000 0.423 142 V N 1.129 121.023 119.914 -0.034 0.000 2.295 142 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 142 V C 2.176 178.241 176.094 -0.047 0.000 1.049 142 V CA 1.573 63.849 62.300 -0.041 0.000 1.024 142 V CB -0.551 31.242 31.823 -0.050 0.000 0.648 142 V HN 0.314 nan 8.190 nan 0.000 0.447 143 M N -0.190 119.378 119.600 -0.052 0.000 2.175 143 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 143 M C 2.401 178.676 176.300 -0.041 0.000 1.063 143 M CA 1.908 57.175 55.300 -0.055 0.000 1.119 143 M CB -0.597 31.969 32.600 -0.056 0.000 1.377 143 M HN 0.405 nan 8.290 nan 0.000 0.415 144 A N 0.055 122.853 122.820 -0.036 0.000 1.883 144 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 144 A C 2.152 179.723 177.584 -0.023 0.000 1.186 144 A CA 1.417 53.436 52.037 -0.030 0.000 0.624 144 A CB -0.609 18.375 19.000 -0.027 0.000 0.822 144 A HN 0.449 nan 8.150 nan 0.000 0.444 145 Q N -0.246 119.541 119.800 -0.022 0.000 2.050 145 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 145 Q C 2.045 178.036 176.000 -0.014 0.000 0.980 145 Q CA 1.414 57.208 55.803 -0.016 0.000 0.840 145 Q CB -0.342 28.386 28.738 -0.017 0.000 0.898 145 Q HN 0.529 nan 8.270 nan 0.000 0.424 146 K N 0.690 121.077 120.400 -0.022 0.000 2.063 146 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 146 K C 2.044 178.637 176.600 -0.011 0.000 1.048 146 K CA 1.206 57.480 56.287 -0.021 0.000 0.928 146 K CB -0.650 31.826 32.500 -0.040 0.000 0.713 146 K HN 0.192 nan 8.250 nan 0.000 0.442 147 A N 1.302 124.114 122.820 -0.014 0.000 1.873 147 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 147 A C 2.552 180.144 177.584 0.013 0.000 1.193 147 A CA 2.176 54.210 52.037 -0.005 0.000 0.629 147 A CB -0.877 18.116 19.000 -0.011 0.000 0.826 147 A HN 0.083 nan 8.150 nan 0.000 0.447 148 V N 0.068 119.987 119.914 0.008 0.000 2.407 148 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 148 V C 2.363 178.473 176.094 0.027 0.000 1.055 148 V CA 2.301 64.611 62.300 0.016 0.000 1.049 148 V CB -0.980 30.847 31.823 0.007 0.000 0.662 148 V HN 0.645 nan 8.190 nan 0.000 0.455 149 E N 0.089 120.303 120.200 0.023 0.000 2.031 149 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 149 E C 2.305 178.942 176.600 0.062 0.000 0.994 149 E CA 1.357 57.775 56.400 0.030 0.000 0.800 149 E CB -0.177 29.534 29.700 0.019 0.000 0.752 149 E HN 0.429 nan 8.360 nan 0.000 0.447 150 K N 0.475 120.915 120.400 0.068 0.000 2.032 150 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 150 K C 2.067 178.824 176.600 0.262 0.000 1.048 150 K CA 0.761 57.136 56.287 0.147 0.000 0.927 150 K CB -0.684 31.815 32.500 -0.003 0.000 0.712 150 K HN -0.032 nan 8.250 nan 0.000 0.441 151 V N 1.371 121.377 119.914 0.153 0.000 2.332 151 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 151 V C 2.003 178.145 176.094 0.080 0.000 1.055 151 V CA 1.779 64.156 62.300 0.127 0.000 1.038 151 V CB -0.374 31.493 31.823 0.073 0.000 0.651 151 V HN 0.329 nan 8.190 nan 0.000 0.450 152 K N -0.341 120.095 120.400 0.060 0.000 2.152 152 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 152 K C 1.867 178.473 176.600 0.010 0.000 1.048 152 K CA 1.163 57.466 56.287 0.027 0.000 0.933 152 K CB -0.237 32.277 32.500 0.022 0.000 0.721 152 K HN 0.411 nan 8.250 nan 0.000 0.447 153 L N -0.584 120.664 121.223 0.041 0.000 2.551 153 L HA -0.003 4.336 4.340 -0.000 0.000 0.228 153 L C 1.228 177.990 176.870 -0.181 0.000 1.153 153 L CA 0.687 55.514 54.840 -0.023 0.000 0.851 153 L CB -0.090 42.023 42.059 0.089 0.000 0.959 153 L HN 0.490 nan 8.230 nan 0.000 0.451 154 G N -0.997 107.722 108.800 -0.135 0.000 2.184 154 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.206 154 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.206 154 G C 0.011 174.754 174.900 -0.260 0.000 0.995 154 G CA -0.729 44.241 45.100 -0.216 0.000 0.651 154 G HN 0.107 nan 8.290 nan 0.000 0.511 155 F N 1.880 121.816 119.950 -0.023 0.000 2.472 155 F HA 0.453 4.979 4.527 -0.000 0.000 0.364 155 F C 1.096 176.901 175.800 0.009 0.000 1.090 155 F CA -0.237 57.761 58.000 -0.004 0.000 1.188 155 F CB 1.136 40.136 39.000 0.001 0.000 1.105 155 F HN -0.086 nan 8.300 nan 0.000 0.536 156 D N 0.886 121.385 120.400 0.166 0.000 2.367 156 D HA 0.046 4.686 4.640 -0.000 0.000 0.207 156 D C 0.241 176.615 176.300 0.123 0.000 1.034 156 D CA 0.729 54.796 54.000 0.111 0.000 0.861 156 D CB 0.391 41.231 40.800 0.067 0.000 0.943 156 D HN 0.345 nan 8.370 nan 0.000 0.515 157 T N 0.951 115.604 114.554 0.164 0.000 2.841 157 T HA 0.561 4.911 4.350 -0.000 0.000 0.285 157 T C -0.238 174.531 174.700 0.116 0.000 0.991 157 T CA -0.547 61.629 62.100 0.127 0.000 0.966 157 T CB 1.707 70.646 68.868 0.119 0.000 0.962 157 T HN -0.151 nan 8.240 nan 0.000 0.438 158 L N 2.765 124.030 121.223 0.070 0.000 2.362 158 L HA 0.593 4.933 4.340 -0.000 0.000 0.275 158 L C 0.013 176.900 176.870 0.028 0.000 0.998 158 L CA -1.030 53.828 54.840 0.031 0.000 0.820 158 L CB 2.126 44.197 42.059 0.021 0.000 1.270 158 L HN 0.406 nan 8.230 nan 0.000 0.415 159 K N 3.998 124.408 120.400 0.018 0.000 2.253 159 K HA 0.544 4.863 4.320 -0.000 0.000 0.277 159 K C -0.968 175.647 176.600 0.025 0.000 1.053 159 K CA -0.383 55.919 56.287 0.024 0.000 0.892 159 K CB 0.800 33.313 32.500 0.022 0.000 1.102 159 K HN 0.532 nan 8.250 nan 0.000 0.469 160 I N 5.354 125.936 120.570 0.019 0.000 2.312 160 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 160 I C 0.052 176.169 176.117 0.001 0.000 1.008 160 I CA -0.917 60.389 61.300 0.010 0.000 1.226 160 I CB 1.230 39.234 38.000 0.007 0.000 1.371 160 I HN 0.351 nan 8.210 nan 0.000 0.468 161 K N 6.454 126.854 120.400 0.001 0.000 2.276 161 K HA 0.526 4.846 4.320 -0.000 0.000 0.283 161 K C -0.309 176.270 176.600 -0.035 0.000 1.044 161 K CA -0.222 56.053 56.287 -0.021 0.000 0.944 161 K CB 1.922 34.425 32.500 0.005 0.000 1.012 161 K HN 0.535 nan 8.250 nan 0.000 0.472 162 V N -2.106 117.768 119.914 -0.066 0.000 3.182 162 V HA 0.922 5.042 4.120 -0.000 0.000 0.308 162 V C 0.503 176.542 176.094 -0.093 0.000 1.240 162 V CA -0.168 62.117 62.300 -0.025 0.000 1.063 162 V CB 1.824 33.695 31.823 0.080 0.000 1.076 162 V HN 0.790 nan 8.190 nan 0.000 0.446 163 G N -0.118 108.690 108.800 0.014 0.000 3.578 163 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 163 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 163 G C 0.798 175.743 174.900 0.076 0.000 0.933 163 G CA 1.042 46.127 45.100 -0.025 0.000 0.847 163 G HN 1.655 nan 8.290 nan 0.000 0.612 164 T N -1.118 113.485 114.554 0.081 0.000 2.951 164 T HA 0.475 4.825 4.350 -0.000 0.000 0.268 164 T C 1.239 175.997 174.700 0.098 0.000 1.073 164 T CA 1.425 63.563 62.100 0.063 0.000 1.134 164 T CB 0.546 69.433 68.868 0.031 0.000 0.884 164 T HN 1.844 nan 8.240 nan 0.000 0.479 165 G N 0.708 109.603 108.800 0.159 0.000 2.341 165 G HA2 0.359 4.318 3.960 -0.000 0.000 0.300 165 G HA3 0.359 4.318 3.960 -0.000 0.000 0.300 165 G C 0.358 175.309 174.900 0.085 0.000 1.706 165 G CA -0.402 44.771 45.100 0.122 0.000 0.916 165 G HN 0.470 nan 8.290 nan 0.000 0.716 166 I N -0.216 120.326 120.570 -0.047 0.000 2.143 166 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 166 I C 2.073 178.125 176.117 -0.108 0.000 1.068 166 I CA 2.405 63.576 61.300 -0.215 0.000 1.326 166 I CB -0.373 37.398 38.000 -0.383 0.000 1.028 166 I HN 0.556 nan 8.210 nan 0.000 0.412 167 E N 2.524 122.682 120.200 -0.070 0.000 2.021 167 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 167 E C 2.371 178.952 176.600 -0.031 0.000 1.015 167 E CA 1.935 58.305 56.400 -0.049 0.000 0.824 167 E CB -0.724 28.956 29.700 -0.033 0.000 0.762 167 E HN 0.683 nan 8.360 nan 0.000 0.454 168 A N 1.046 123.861 122.820 -0.008 0.000 2.014 168 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 168 A C 1.530 179.120 177.584 0.010 0.000 1.163 168 A CA 1.484 53.520 52.037 -0.002 0.000 0.652 168 A CB -0.377 18.627 19.000 0.007 0.000 0.808 168 A HN 0.099 nan 8.150 nan 0.000 0.449 169 D N 0.266 120.694 120.400 0.047 0.000 2.144 169 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 169 D C 1.813 178.133 176.300 0.033 0.000 0.978 169 D CA 1.075 55.135 54.000 0.100 0.000 0.833 169 D CB -0.264 40.707 40.800 0.284 0.000 0.961 169 D HN 0.536 nan 8.370 nan 0.000 0.470 170 I N 1.069 121.622 120.570 -0.029 0.000 2.315 170 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 170 I C 2.456 178.492 176.117 -0.134 0.000 1.117 170 I CA 0.717 61.959 61.300 -0.096 0.000 1.404 170 I CB -0.189 37.746 38.000 -0.108 0.000 1.071 170 I HN -0.094 nan 8.210 nan 0.000 0.419 171 A N 1.062 123.830 122.820 -0.087 0.000 1.933 171 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 171 A C 2.396 179.926 177.584 -0.089 0.000 1.175 171 A CA 1.329 53.315 52.037 -0.085 0.000 0.628 171 A CB -0.484 18.487 19.000 -0.048 0.000 0.814 171 A HN 0.321 nan 8.150 nan 0.000 0.444 172 R N -0.683 119.777 120.500 -0.067 0.000 2.066 172 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 172 R C 2.050 178.297 176.300 -0.088 0.000 1.131 172 R CA 1.490 57.554 56.100 -0.059 0.000 0.955 172 R CB -0.619 29.662 30.300 -0.031 0.000 0.851 172 R HN 0.392 nan 8.270 nan 0.000 0.432 173 V N 1.767 121.612 119.914 -0.114 0.000 2.295 173 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 173 V C 2.182 178.108 176.094 -0.281 0.000 1.049 173 V CA 1.752 63.956 62.300 -0.160 0.000 1.024 173 V CB -0.453 31.274 31.823 -0.160 0.000 0.648 173 V HN 0.310 nan 8.190 nan 0.000 0.447 174 K N 0.450 120.591 120.400 -0.432 0.000 2.032 174 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 174 K C 2.365 178.878 176.600 -0.145 0.000 1.048 174 K CA 1.594 57.573 56.287 -0.512 0.000 0.927 174 K CB -0.517 31.724 32.500 -0.431 0.000 0.712 174 K HN 0.463 nan 8.250 nan 0.000 0.441 175 A N 1.684 124.440 122.820 -0.106 0.000 1.883 175 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 175 A C 2.169 179.724 177.584 -0.048 0.000 1.186 175 A CA 1.447 53.453 52.037 -0.051 0.000 0.624 175 A CB -0.685 18.287 19.000 -0.046 0.000 0.822 175 A HN 0.199 nan 8.150 nan 0.000 0.444 176 I N -1.057 119.475 120.570 -0.063 0.000 2.226 176 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 176 I C 2.663 178.743 176.117 -0.061 0.000 1.100 176 I CA 1.725 62.992 61.300 -0.054 0.000 1.374 176 I CB -0.275 37.694 38.000 -0.051 0.000 1.057 176 I HN 0.296 nan 8.210 nan 0.000 0.413 177 R N 1.585 122.041 120.500 -0.073 0.000 2.096 177 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 177 R C 1.933 178.152 176.300 -0.135 0.000 1.127 177 R CA 1.626 57.656 56.100 -0.117 0.000 0.968 177 R CB -0.433 29.853 30.300 -0.023 0.000 0.861 177 R HN 0.403 nan 8.270 nan 0.000 0.440 178 E N -0.500 119.674 120.200 -0.044 0.000 2.106 178 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 178 E C 1.858 178.438 176.600 -0.033 0.000 0.984 178 E CA 1.124 57.509 56.400 -0.025 0.000 0.806 178 E CB -0.133 29.579 29.700 0.020 0.000 0.750 178 E HN 0.480 nan 8.360 nan 0.000 0.458 179 A N 1.162 123.962 122.820 -0.033 0.000 1.897 179 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 179 A C 2.432 180.002 177.584 -0.025 0.000 1.181 179 A CA 1.509 53.532 52.037 -0.023 0.000 0.620 179 A CB -0.386 18.601 19.000 -0.020 0.000 0.821 179 A HN 0.225 nan 8.150 nan 0.000 0.443 180 V N -3.959 115.931 119.914 -0.040 0.000 3.471 180 V HA 0.539 4.659 4.120 -0.000 0.000 0.258 180 V C 1.155 177.226 176.094 -0.039 0.000 1.192 180 V CA 0.405 62.687 62.300 -0.029 0.000 1.116 180 V CB -1.217 30.593 31.823 -0.021 0.000 0.792 180 V HN 1.704 nan 8.190 nan 0.000 0.459 181 G N 0.134 108.879 108.800 -0.092 0.000 2.757 181 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.638 181 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.638 181 G C -0.473 174.337 174.900 -0.149 0.000 1.344 181 G CA -0.040 45.007 45.100 -0.088 0.000 0.855 181 G HN 0.263 nan 8.290 nan 0.000 0.537 182 F N 0.618 120.588 119.950 0.035 0.000 2.769 182 F HA 0.218 4.744 4.527 -0.000 0.000 0.304 182 F C 1.970 177.789 175.800 0.032 0.000 1.158 182 F CA 0.759 58.780 58.000 0.034 0.000 1.398 182 F CB 0.386 39.397 39.000 0.019 0.000 1.094 182 F HN 0.373 nan 8.300 nan 0.000 0.553 183 D N -0.205 120.286 120.400 0.152 0.000 2.271 183 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 183 D C 0.974 177.327 176.300 0.089 0.000 0.967 183 D CA 0.715 54.781 54.000 0.110 0.000 0.867 183 D CB 0.352 41.198 40.800 0.076 0.000 0.960 183 D HN -0.028 nan 8.370 nan 0.000 0.509 184 I N 1.553 122.164 120.570 0.069 0.000 2.441 184 I HA 0.097 4.267 4.170 -0.000 0.000 0.287 184 I C 0.783 176.944 176.117 0.074 0.000 1.049 184 I CA -0.438 60.900 61.300 0.063 0.000 1.381 184 I CB 0.559 38.583 38.000 0.041 0.000 1.409 184 I HN -0.247 nan 8.210 nan 0.000 0.523 185 K N 6.628 127.076 120.400 0.080 0.000 2.276 185 K HA 0.500 4.820 4.320 -0.000 0.000 0.283 185 K C -1.105 175.539 176.600 0.073 0.000 1.044 185 K CA -0.413 55.924 56.287 0.085 0.000 0.944 185 K CB 0.706 33.255 32.500 0.081 0.000 1.012 185 K HN 0.479 nan 8.250 nan 0.000 0.472 186 L N 5.991 127.259 121.223 0.075 0.000 2.325 186 L HA 0.510 4.849 4.340 -0.000 0.000 0.281 186 L C -0.261 176.648 176.870 0.066 0.000 1.004 186 L CA -0.921 53.956 54.840 0.061 0.000 0.823 186 L CB 1.608 43.698 42.059 0.051 0.000 1.236 186 L HN 0.639 nan 8.230 nan 0.000 0.415 187 R N 3.846 124.378 120.500 0.053 0.000 2.562 187 R HA 0.824 5.163 4.340 -0.000 0.000 0.298 187 R C -1.396 174.928 176.300 0.039 0.000 0.961 187 R CA -0.863 55.267 56.100 0.050 0.000 0.881 187 R CB 1.723 32.049 30.300 0.043 0.000 1.159 187 R HN 0.466 nan 8.270 nan 0.000 0.450 188 L N 1.235 122.483 121.223 0.042 0.000 2.334 188 L HA 0.511 4.851 4.340 -0.000 0.000 0.270 188 L C -0.545 176.313 176.870 -0.020 0.000 1.018 188 L CA -1.008 53.847 54.840 0.024 0.000 0.811 188 L CB 1.624 43.724 42.059 0.068 0.000 1.271 188 L HN 0.698 nan 8.230 nan 0.000 0.443 189 D N 0.230 120.588 120.400 -0.069 0.000 2.478 189 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 189 D C 0.024 176.189 176.300 -0.225 0.000 1.364 189 D CA -0.359 53.571 54.000 -0.117 0.000 0.987 189 D CB 2.150 42.912 40.800 -0.063 0.000 1.328 189 D HN 0.564 nan 8.370 nan 0.000 0.584 190 A N 3.412 125.993 122.820 -0.398 0.000 2.178 190 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 190 A C 0.865 178.194 177.584 -0.425 0.000 1.157 190 A CA 0.220 51.868 52.037 -0.647 0.000 0.780 190 A CB -0.582 17.597 19.000 -1.369 0.000 0.828 190 A HN 0.776 nan 8.150 nan 0.000 0.476 191 N N -0.154 118.387 118.700 -0.266 0.000 2.705 191 N HA -0.260 4.480 4.740 -0.000 0.000 0.255 191 N C -0.091 175.313 175.510 -0.176 0.000 1.008 191 N CA 0.774 53.719 53.050 -0.175 0.000 0.742 191 N CB -1.257 37.136 38.487 -0.157 0.000 0.906 191 N HN 0.684 nan 8.380 nan 0.000 0.541 192 Q N -4.592 115.099 119.800 -0.182 0.000 2.424 192 Q HA -0.334 4.006 4.340 -0.000 0.000 0.234 192 Q C 1.225 177.144 176.000 -0.135 0.000 0.748 192 Q CA 0.949 56.678 55.803 -0.123 0.000 1.286 192 Q CB -1.682 27.020 28.738 -0.060 0.000 1.494 192 Q HN 0.683 nan 8.270 nan 0.000 0.683 193 A N -0.319 122.340 122.820 -0.268 0.000 2.015 193 A HA -0.069 4.250 4.320 -0.000 0.000 0.219 193 A C 0.503 178.115 177.584 0.046 0.000 1.163 193 A CA 0.868 52.791 52.037 -0.189 0.000 0.646 193 A CB -0.044 18.774 19.000 -0.304 0.000 0.806 193 A HN 0.417 nan 8.150 nan 0.000 0.448 194 W N 0.082 121.384 121.300 0.003 0.000 2.509 194 W HA 0.509 5.169 4.660 -0.000 0.000 0.351 194 W C 0.489 177.016 176.519 0.013 0.000 1.107 194 W CA -0.558 56.792 57.345 0.009 0.000 1.264 194 W CB -0.128 29.342 29.460 0.017 0.000 1.312 194 W HN 0.154 nan 8.180 nan 0.000 0.608 195 T N -1.685 113.021 114.554 0.253 0.000 2.899 195 T HA 0.263 4.613 4.350 -0.000 0.000 0.284 195 T C -1.799 172.993 174.700 0.153 0.000 1.004 195 T CA -1.535 60.647 62.100 0.135 0.000 1.043 195 T CB 1.839 70.747 68.868 0.067 0.000 1.013 195 T HN -0.021 nan 8.240 nan 0.000 0.518 196 P HA -0.121 nan 4.420 nan 0.000 0.214 196 P C 1.443 178.877 177.300 0.223 0.000 1.169 196 P CA 1.465 64.668 63.100 0.172 0.000 0.908 196 P CB 0.067 31.785 31.700 0.029 0.000 0.791 197 K N -0.980 119.488 120.400 0.113 0.000 2.097 197 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 197 K C 1.731 178.366 176.600 0.058 0.000 1.050 197 K CA 1.364 57.735 56.287 0.140 0.000 0.938 197 K CB -0.573 31.956 32.500 0.049 0.000 0.718 197 K HN 0.122 nan 8.250 nan 0.000 0.442 198 D N 0.762 121.166 120.400 0.006 0.000 2.144 198 D HA -0.095 4.544 4.640 -0.000 0.000 0.200 198 D C 1.806 177.974 176.300 -0.220 0.000 0.978 198 D CA 1.075 55.007 54.000 -0.114 0.000 0.833 198 D CB -0.083 40.645 40.800 -0.120 0.000 0.961 198 D HN 0.181 nan 8.370 nan 0.000 0.470 199 A N 0.401 123.206 122.820 -0.026 0.000 1.902 199 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 199 A C 2.512 180.097 177.584 0.002 0.000 1.181 199 A CA 1.135 53.214 52.037 0.070 0.000 0.623 199 A CB -0.717 18.520 19.000 0.395 0.000 0.818 199 A HN 0.140 nan 8.150 nan 0.000 0.443 200 V N 0.332 120.279 119.914 0.055 0.000 2.295 200 V HA -0.280 3.839 4.120 -0.000 0.000 0.246 200 V C 2.561 178.635 176.094 -0.034 0.000 1.049 200 V CA 2.424 64.739 62.300 0.025 0.000 1.024 200 V CB -0.648 31.212 31.823 0.061 0.000 0.648 200 V HN 0.712 nan 8.190 nan 0.000 0.447 201 K N 0.231 120.595 120.400 -0.061 0.000 2.032 201 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 201 K C 2.167 178.681 176.600 -0.144 0.000 1.048 201 K CA 1.749 57.982 56.287 -0.090 0.000 0.927 201 K CB -0.351 32.089 32.500 -0.100 0.000 0.712 201 K HN 0.421 nan 8.250 nan 0.000 0.441 202 A N 1.322 123.976 122.820 -0.276 0.000 1.873 202 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 202 A C 2.101 179.584 177.584 -0.169 0.000 1.186 202 A CA 1.469 53.296 52.037 -0.351 0.000 0.616 202 A CB -0.561 17.929 19.000 -0.850 0.000 0.823 202 A HN 0.362 nan 8.150 nan 0.000 0.442 203 I N -0.452 120.060 120.570 -0.097 0.000 2.286 203 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 203 I C 2.733 178.865 176.117 0.025 0.000 1.115 203 I CA 1.548 62.860 61.300 0.019 0.000 1.392 203 I CB -0.467 37.571 38.000 0.063 0.000 1.065 203 I HN 0.470 nan 8.210 nan 0.000 0.418 204 Q N 0.560 120.360 119.800 -0.001 0.000 2.123 204 Q HA -0.096 4.243 4.340 -0.000 0.000 0.199 204 Q C 2.437 178.456 176.000 0.031 0.000 0.966 204 Q CA 1.397 57.208 55.803 0.013 0.000 0.845 204 Q CB -0.218 28.518 28.738 -0.003 0.000 0.907 204 Q HN 0.551 nan 8.270 nan 0.000 0.439 205 A N 0.405 123.232 122.820 0.011 0.000 2.070 205 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 205 A C 1.505 179.159 177.584 0.116 0.000 1.159 205 A CA 1.006 53.064 52.037 0.035 0.000 0.656 205 A CB -0.039 18.949 19.000 -0.019 0.000 0.800 205 A HN 0.213 nan 8.150 nan 0.000 0.453 206 L N -0.924 120.371 121.223 0.120 0.000 2.741 206 L HA 0.321 4.661 4.340 -0.000 0.000 0.237 206 L C 2.268 179.305 176.870 0.278 0.000 1.178 206 L CA 0.668 55.651 54.840 0.239 0.000 0.973 206 L CB -0.529 41.605 42.059 0.125 0.000 1.255 206 L HN 0.314 nan 8.230 nan 0.000 0.498 207 A N -0.572 122.352 122.820 0.174 0.000 1.892 207 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 207 A C 1.384 179.028 177.584 0.099 0.000 1.188 207 A CA 1.748 53.851 52.037 0.111 0.000 0.631 207 A CB -0.370 18.665 19.000 0.058 0.000 0.822 207 A HN 0.390 nan 8.150 nan 0.000 0.447 208 D N -1.687 118.748 120.400 0.058 0.000 2.856 208 D HA 0.223 4.862 4.640 -0.000 0.000 0.242 208 D C -0.704 175.424 176.300 -0.285 0.000 1.226 208 D CA 0.383 54.314 54.000 -0.116 0.000 0.855 208 D CB -0.140 40.534 40.800 -0.211 0.000 1.065 208 D HN 0.621 nan 8.370 nan 0.000 0.462 209 Y N -0.247 120.196 120.300 0.239 0.000 2.825 209 Y HA 0.070 4.620 4.550 -0.000 0.000 0.259 209 Y C 0.480 176.590 175.900 0.351 0.000 1.113 209 Y CA -0.544 57.734 58.100 0.296 0.000 1.241 209 Y CB 0.232 38.761 38.460 0.115 0.000 1.331 209 Y HN -0.060 nan 8.280 nan 0.000 0.570 210 Q N 1.585 121.636 119.800 0.418 0.000 2.423 210 Q HA -0.212 4.127 4.340 -0.000 0.000 0.368 210 Q C -1.285 174.860 176.000 0.241 0.000 1.371 210 Q CA 0.123 56.110 55.803 0.307 0.000 1.106 210 Q CB -0.890 28.093 28.738 0.408 0.000 1.263 210 Q HN 0.392 nan 8.270 nan 0.000 0.325 211 I N 2.149 122.830 120.570 0.186 0.000 2.312 211 I HA 0.032 4.201 4.170 -0.000 0.000 0.291 211 I C 1.437 177.620 176.117 0.110 0.000 1.031 211 I CA 0.261 61.647 61.300 0.143 0.000 1.293 211 I CB 1.319 39.401 38.000 0.136 0.000 1.403 211 I HN 0.477 nan 8.210 nan 0.000 0.484 212 E N 6.762 127.020 120.200 0.097 0.000 2.038 212 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 212 E C -0.113 176.527 176.600 0.067 0.000 1.000 212 E CA 1.437 57.883 56.400 0.078 0.000 0.803 212 E CB 0.302 30.044 29.700 0.070 0.000 0.750 212 E HN 0.557 nan 8.360 nan 0.000 0.448 213 L N -3.721 117.543 121.223 0.068 0.000 2.838 213 L HA 0.516 4.856 4.340 -0.000 0.000 0.266 213 L C -1.384 175.526 176.870 0.066 0.000 1.040 213 L CA -1.129 53.748 54.840 0.061 0.000 0.906 213 L CB 1.814 43.901 42.059 0.047 0.000 1.501 213 L HN -0.289 nan 8.230 nan 0.000 0.407 214 V N 0.493 120.447 119.914 0.067 0.000 2.487 214 V HA 0.548 4.667 4.120 -0.000 0.000 0.298 214 V C -0.403 175.709 176.094 0.031 0.000 1.028 214 V CA -0.319 62.022 62.300 0.068 0.000 0.860 214 V CB 1.452 33.353 31.823 0.130 0.000 0.991 214 V HN 0.857 nan 8.190 nan 0.000 0.427 215 E N 2.761 122.956 120.200 -0.009 0.000 2.197 215 E HA 0.350 4.700 4.350 -0.000 0.000 0.281 215 E C -0.181 176.382 176.600 -0.061 0.000 0.995 215 E CA -0.705 55.681 56.400 -0.024 0.000 0.808 215 E CB 0.887 30.571 29.700 -0.027 0.000 1.093 215 E HN 0.650 nan 8.360 nan 0.000 0.394 216 Q N 3.839 123.622 119.800 -0.029 0.000 2.394 216 Q HA -0.175 4.165 4.340 -0.000 0.000 0.369 216 Q C -1.957 173.986 176.000 -0.095 0.000 1.312 216 Q CA 0.531 56.312 55.803 -0.035 0.000 1.155 216 Q CB -0.082 28.640 28.738 -0.027 0.000 1.311 216 Q HN 0.435 nan 8.270 nan 0.000 0.315 217 P HA -0.087 nan 4.420 nan 0.000 0.219 217 P C 0.436 177.737 177.300 0.002 0.000 1.150 217 P CA 1.466 64.527 63.100 -0.064 0.000 0.814 217 P CB 0.118 31.937 31.700 0.198 0.000 0.787 218 V N -3.908 116.033 119.914 0.044 0.000 3.103 218 V HA 0.497 4.617 4.120 -0.000 0.000 0.318 218 V C 0.168 176.273 176.094 0.018 0.000 1.114 218 V CA -1.767 60.568 62.300 0.058 0.000 1.020 218 V CB 1.247 33.125 31.823 0.091 0.000 1.085 218 V HN -0.238 nan 8.190 nan 0.000 0.446 219 K N 1.071 121.483 120.400 0.019 0.000 2.518 219 K HA 0.060 4.380 4.320 -0.000 0.000 0.276 219 K C 1.649 178.253 176.600 0.007 0.000 0.974 219 K CA 0.604 56.894 56.287 0.006 0.000 0.986 219 K CB 0.608 33.111 32.500 0.004 0.000 0.901 219 K HN 0.837 nan 8.250 nan 0.000 0.497 220 R N 2.117 122.619 120.500 0.004 0.000 2.117 220 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 220 R C 1.211 177.496 176.300 -0.024 0.000 1.143 220 R CA 1.176 57.276 56.100 -0.000 0.000 0.968 220 R CB -0.147 30.152 30.300 -0.002 0.000 0.863 220 R HN 0.396 nan 8.270 nan 0.000 0.444 221 R N 0.805 121.285 120.500 -0.033 0.000 2.275 221 R HA 0.016 4.356 4.340 -0.000 0.000 0.199 221 R C 0.074 176.362 176.300 -0.021 0.000 0.989 221 R CA 0.484 56.560 56.100 -0.040 0.000 1.016 221 R CB -0.413 29.858 30.300 -0.049 0.000 0.918 221 R HN 0.279 nan 8.270 nan 0.000 0.473 222 D N 1.322 121.719 120.400 -0.006 0.000 2.619 222 D HA 0.063 4.703 4.640 -0.000 0.000 0.224 222 D C 1.167 177.478 176.300 0.018 0.000 1.133 222 D CA -0.016 53.987 54.000 0.005 0.000 1.017 222 D CB -0.091 40.716 40.800 0.012 0.000 1.077 222 D HN 0.018 nan 8.370 nan 0.000 0.503 223 L N 0.976 122.206 121.223 0.012 0.000 2.141 223 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 223 L C 2.072 178.964 176.870 0.037 0.000 1.094 223 L CA 0.874 55.727 54.840 0.022 0.000 0.763 223 L CB -0.130 41.936 42.059 0.010 0.000 0.908 223 L HN 0.307 nan 8.230 nan 0.000 0.437 224 E N 0.141 120.360 120.200 0.031 0.000 2.106 224 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 224 E C 2.221 178.866 176.600 0.075 0.000 0.984 224 E CA 1.053 57.479 56.400 0.043 0.000 0.806 224 E CB -0.220 29.492 29.700 0.020 0.000 0.750 224 E HN 0.528 nan 8.360 nan 0.000 0.458 225 G N 0.952 109.788 108.800 0.059 0.000 2.421 225 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 225 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 225 G C 1.508 176.502 174.900 0.156 0.000 1.143 225 G CA 0.249 45.403 45.100 0.090 0.000 0.784 225 G HN 0.126 nan 8.290 nan 0.000 0.541 226 L N 0.810 122.097 121.223 0.108 0.000 2.056 226 L HA 0.154 4.494 4.340 -0.000 0.000 0.207 226 L C 2.586 179.520 176.870 0.106 0.000 1.078 226 L CA 2.196 57.097 54.840 0.102 0.000 0.749 226 L CB -0.485 41.614 42.059 0.067 0.000 0.901 226 L HN 0.238 nan 8.230 nan 0.000 0.433 227 K N -1.814 118.646 120.400 0.100 0.000 2.147 227 K HA -0.267 4.052 4.320 -0.000 0.000 0.205 227 K C 2.263 178.927 176.600 0.107 0.000 1.049 227 K CA 1.640 57.978 56.287 0.085 0.000 0.936 227 K CB -0.425 32.119 32.500 0.073 0.000 0.722 227 K HN 0.432 nan 8.250 nan 0.000 0.446 228 Y N 1.127 121.442 120.300 0.026 0.000 2.114 228 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 228 Y C 1.851 177.770 175.900 0.032 0.000 1.143 228 Y CA 1.686 59.801 58.100 0.026 0.000 1.135 228 Y CB -0.427 38.049 38.460 0.025 0.000 0.980 228 Y HN -0.163 nan 8.280 nan 0.000 0.499 229 V N -0.065 119.908 119.914 0.099 0.000 2.255 229 V HA -0.377 3.743 4.120 -0.000 0.000 0.247 229 V C 2.292 178.354 176.094 -0.054 0.000 1.051 229 V CA 2.574 64.879 62.300 0.007 0.000 1.018 229 V CB -1.323 30.580 31.823 0.133 0.000 0.641 229 V HN 0.529 nan 8.190 nan 0.000 0.445 230 T N 0.570 115.122 114.554 -0.004 0.000 2.720 230 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 230 T C 1.960 176.632 174.700 -0.047 0.000 1.037 230 T CA 1.963 64.058 62.100 -0.008 0.000 1.144 230 T CB -0.397 68.480 68.868 0.015 0.000 0.864 230 T HN 0.725 nan 8.240 nan 0.000 0.444 231 S N 0.653 116.306 115.700 -0.078 0.000 2.522 231 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 231 S C 1.786 176.291 174.600 -0.159 0.000 0.986 231 S CA 0.197 58.341 58.200 -0.093 0.000 0.929 231 S CB -0.118 63.042 63.200 -0.067 0.000 0.769 231 S HN 0.276 nan 8.310 nan 0.000 0.529 232 Q N 0.933 120.582 119.800 -0.251 0.000 2.384 232 Q HA 0.304 4.644 4.340 -0.000 0.000 0.207 232 Q C 0.605 176.518 176.000 -0.146 0.000 0.904 232 Q CA 0.315 55.951 55.803 -0.279 0.000 0.933 232 Q CB 1.037 29.450 28.738 -0.541 0.000 1.077 232 Q HN 0.701 nan 8.270 nan 0.000 0.522 233 V N -2.217 117.641 119.914 -0.093 0.000 2.962 233 V HA 0.472 4.592 4.120 -0.000 0.000 0.313 233 V C 0.661 176.743 176.094 -0.021 0.000 1.099 233 V CA -0.956 61.318 62.300 -0.042 0.000 0.971 233 V CB 2.037 33.851 31.823 -0.015 0.000 1.028 233 V HN -0.070 nan 8.190 nan 0.000 0.430 234 N N 0.977 119.673 118.700 -0.008 0.000 2.494 234 N HA -0.024 4.716 4.740 -0.000 0.000 0.182 234 N C 0.637 176.155 175.510 0.014 0.000 1.076 234 N CA 0.615 53.665 53.050 0.000 0.000 0.908 234 N CB 0.204 38.691 38.487 0.001 0.000 0.967 234 N HN 0.886 nan 8.380 nan 0.000 0.449 235 T N 0.762 115.330 114.554 0.023 0.000 2.926 235 T HA 0.050 4.400 4.350 -0.000 0.000 0.307 235 T C 0.074 174.796 174.700 0.036 0.000 1.059 235 T CA 0.201 62.325 62.100 0.039 0.000 1.122 235 T CB 1.032 69.935 68.868 0.058 0.000 0.972 235 T HN 0.012 nan 8.240 nan 0.000 0.545 236 T N 4.347 118.925 114.554 0.040 0.000 2.870 236 T HA 0.285 4.635 4.350 -0.000 0.000 0.300 236 T C 0.141 174.866 174.700 0.042 0.000 0.989 236 T CA -0.382 61.739 62.100 0.036 0.000 1.139 236 T CB 0.018 68.907 68.868 0.035 0.000 0.920 236 T HN 0.245 nan 8.240 nan 0.000 0.537 237 I N 3.776 124.368 120.570 0.037 0.000 2.404 237 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 237 I C 0.015 176.152 176.117 0.034 0.000 0.992 237 I CA -0.887 60.438 61.300 0.042 0.000 1.149 237 I CB 1.510 39.537 38.000 0.045 0.000 1.315 237 I HN 0.637 nan 8.210 nan 0.000 0.446 238 M N 5.069 124.688 119.600 0.032 0.000 2.456 238 M HA 0.742 5.222 4.480 -0.000 0.000 0.324 238 M C -0.882 175.433 176.300 0.025 0.000 1.124 238 M CA -0.546 54.770 55.300 0.025 0.000 0.959 238 M CB 2.083 34.695 32.600 0.020 0.000 1.692 238 M HN 0.689 nan 8.290 nan 0.000 0.444 239 A N 2.905 125.743 122.820 0.029 0.000 2.301 239 A HA 0.487 4.807 4.320 -0.000 0.000 0.312 239 A C -0.591 177.018 177.584 0.043 0.000 1.182 239 A CA -0.463 51.596 52.037 0.038 0.000 0.826 239 A CB 0.933 19.959 19.000 0.044 0.000 1.134 239 A HN 0.957 nan 8.150 nan 0.000 0.501 240 D N 0.618 121.050 120.400 0.053 0.000 3.054 240 D HA 0.032 4.671 4.640 -0.000 0.000 0.209 240 D C 1.254 177.634 176.300 0.132 0.000 1.527 240 D CA 0.520 54.556 54.000 0.061 0.000 1.427 240 D CB -0.177 40.642 40.800 0.031 0.000 1.059 240 D HN 0.453 nan 8.370 nan 0.000 0.243 241 E N 0.136 120.428 120.200 0.153 0.000 2.265 241 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 241 E C 1.851 178.620 176.600 0.281 0.000 0.996 241 E CA 0.902 57.484 56.400 0.304 0.000 0.832 241 E CB -0.049 29.783 29.700 0.220 0.000 0.756 241 E HN 0.052 nan 8.360 nan 0.000 0.491 242 S N -0.604 115.181 115.700 0.142 0.000 2.555 242 S HA -0.016 4.454 4.470 -0.000 0.000 0.230 242 S C 0.400 175.057 174.600 0.095 0.000 0.978 242 S CA 0.181 58.424 58.200 0.071 0.000 0.934 242 S CB 0.003 63.230 63.200 0.045 0.000 0.766 242 S HN 0.326 nan 8.310 nan 0.000 0.533 243 C N 1.223 120.642 119.300 0.200 0.000 2.547 243 C HA 0.572 5.032 4.460 -0.000 0.000 0.327 243 C C 0.527 175.740 174.990 0.371 0.000 1.076 243 C CA -0.890 58.251 59.018 0.205 0.000 1.390 243 C CB -1.298 26.511 27.740 0.115 0.000 1.918 243 C HN 0.372 nan 8.230 nan 0.000 0.438 244 F N 2.339 122.314 119.950 0.041 0.000 2.315 244 F HA 0.225 4.752 4.527 -0.000 0.000 0.284 244 F C 1.371 177.202 175.800 0.050 0.000 1.049 244 F CA 0.901 58.939 58.000 0.063 0.000 1.323 244 F CB -0.199 38.868 39.000 0.112 0.000 1.113 244 F HN 0.643 nan 8.300 nan 0.000 0.544 245 D N -1.618 118.937 120.400 0.260 0.000 2.689 245 D HA 0.485 5.125 4.640 -0.000 0.000 0.255 245 D C 1.027 177.374 176.300 0.079 0.000 1.113 245 D CA -0.154 53.930 54.000 0.140 0.000 1.115 245 D CB 0.197 41.085 40.800 0.146 0.000 1.334 245 D HN -0.009 nan 8.370 nan 0.000 0.621 246 A N -0.777 122.068 122.820 0.042 0.000 1.933 246 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 246 A C 1.935 179.533 177.584 0.023 0.000 1.175 246 A CA 1.384 53.431 52.037 0.017 0.000 0.628 246 A CB -0.802 18.193 19.000 -0.008 0.000 0.814 246 A HN 0.504 nan 8.150 nan 0.000 0.444 247 Q N 0.246 120.065 119.800 0.033 0.000 2.050 247 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 247 Q C 1.476 177.490 176.000 0.022 0.000 0.980 247 Q CA 1.682 57.499 55.803 0.025 0.000 0.840 247 Q CB -0.609 28.146 28.738 0.028 0.000 0.898 247 Q HN 0.627 nan 8.270 nan 0.000 0.424 248 D N 0.965 121.386 120.400 0.035 0.000 2.104 248 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 248 D C 1.863 178.180 176.300 0.029 0.000 0.994 248 D CA 1.519 55.537 54.000 0.029 0.000 0.830 248 D CB -0.277 40.556 40.800 0.054 0.000 0.959 248 D HN 0.259 nan 8.370 nan 0.000 0.452 249 A N 0.775 123.616 122.820 0.035 0.000 1.883 249 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 249 A C 2.210 179.803 177.584 0.015 0.000 1.186 249 A CA 1.205 53.257 52.037 0.025 0.000 0.624 249 A CB -0.844 18.167 19.000 0.019 0.000 0.822 249 A HN 0.235 nan 8.150 nan 0.000 0.444 250 L N -0.036 121.194 121.223 0.012 0.000 2.046 250 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 250 L C 2.404 179.278 176.870 0.008 0.000 1.077 250 L CA 2.648 57.492 54.840 0.007 0.000 0.747 250 L CB -0.515 41.547 42.059 0.006 0.000 0.896 250 L HN 0.653 nan 8.230 nan 0.000 0.432 251 E N -0.714 119.491 120.200 0.008 0.000 2.072 251 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 251 E C 2.226 178.832 176.600 0.009 0.000 0.985 251 E CA 1.356 57.760 56.400 0.006 0.000 0.801 251 E CB -0.220 29.482 29.700 0.002 0.000 0.750 251 E HN 0.565 nan 8.360 nan 0.000 0.452 252 L N 0.866 122.097 121.223 0.013 0.000 2.083 252 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 252 L C 2.742 179.621 176.870 0.014 0.000 1.083 252 L CA 1.185 56.035 54.840 0.016 0.000 0.752 252 L CB -0.578 41.494 42.059 0.022 0.000 0.899 252 L HN 0.249 nan 8.230 nan 0.000 0.433 253 V N -2.248 117.672 119.914 0.011 0.000 2.453 253 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 253 V C 2.466 178.565 176.094 0.008 0.000 1.048 253 V CA 1.774 64.079 62.300 0.009 0.000 1.049 253 V CB -0.762 31.064 31.823 0.005 0.000 0.672 253 V HN 0.414 nan 8.190 nan 0.000 0.457 254 K N 0.805 121.210 120.400 0.008 0.000 2.097 254 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 254 K C 2.096 178.701 176.600 0.009 0.000 1.049 254 K CA 1.711 58.002 56.287 0.007 0.000 0.933 254 K CB -0.113 32.391 32.500 0.006 0.000 0.717 254 K HN 0.532 nan 8.250 nan 0.000 0.442 255 K N -0.820 119.586 120.400 0.011 0.000 2.393 255 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 255 K C 0.537 177.147 176.600 0.016 0.000 1.026 255 K CA 0.497 56.792 56.287 0.014 0.000 1.064 255 K CB 0.615 33.124 32.500 0.016 0.000 0.833 255 K HN 0.392 nan 8.250 nan 0.000 0.521 256 G N 2.088 110.897 108.800 0.015 0.000 2.273 256 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 256 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 256 G C 0.676 175.588 174.900 0.019 0.000 1.047 256 G CA 0.789 45.898 45.100 0.015 0.000 0.869 256 G HN 0.277 nan 8.290 nan 0.000 0.502 257 T N -1.436 113.131 114.554 0.022 0.000 2.746 257 T HA 0.184 4.534 4.350 -0.000 0.000 0.267 257 T C 1.528 176.246 174.700 0.030 0.000 1.039 257 T CA 1.870 63.987 62.100 0.029 0.000 1.142 257 T CB -0.116 68.770 68.868 0.029 0.000 0.866 257 T HN 1.579 nan 8.240 nan 0.000 0.444 258 V N -1.700 118.230 119.914 0.026 0.000 3.156 258 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 258 V C -0.378 175.728 176.094 0.020 0.000 1.234 258 V CA -0.931 61.384 62.300 0.026 0.000 1.065 258 V CB 1.981 33.821 31.823 0.029 0.000 1.088 258 V HN -0.148 nan 8.190 nan 0.000 0.451 259 D N -0.167 120.245 120.400 0.020 0.000 2.324 259 D HA 0.272 4.912 4.640 -0.000 0.000 0.212 259 D C 0.309 176.618 176.300 0.015 0.000 0.984 259 D CA 1.174 55.183 54.000 0.016 0.000 0.885 259 D CB 1.365 42.176 40.800 0.018 0.000 0.996 259 D HN 0.397 nan 8.370 nan 0.000 0.505 260 V N 0.961 120.885 119.914 0.018 0.000 3.049 260 V HA 0.422 4.542 4.120 -0.000 0.000 0.309 260 V C -0.639 175.466 176.094 0.017 0.000 1.148 260 V CA -0.830 61.479 62.300 0.015 0.000 0.990 260 V CB 3.242 35.075 31.823 0.016 0.000 1.039 260 V HN -0.123 nan 8.190 nan 0.000 0.430 261 I N 2.517 123.096 120.570 0.014 0.000 2.509 261 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 261 I C -0.531 175.593 176.117 0.012 0.000 1.020 261 I CA -0.595 60.715 61.300 0.018 0.000 1.088 261 I CB 2.096 40.107 38.000 0.019 0.000 1.267 261 I HN 0.602 nan 8.210 nan 0.000 0.430 262 N N 7.122 125.831 118.700 0.014 0.000 2.434 262 N HA 0.422 5.162 4.740 -0.000 0.000 0.272 262 N C -1.113 174.394 175.510 -0.004 0.000 1.040 262 N CA -0.139 52.913 53.050 0.002 0.000 0.956 262 N CB 0.990 39.478 38.487 0.002 0.000 1.108 262 N HN 0.464 nan 8.380 nan 0.000 0.481 263 I N 2.833 123.393 120.570 -0.017 0.000 2.412 263 I HA 0.311 4.481 4.170 -0.000 0.000 0.296 263 I C 0.154 176.241 176.117 -0.050 0.000 0.987 263 I CA -0.583 60.700 61.300 -0.029 0.000 1.180 263 I CB 1.349 39.331 38.000 -0.030 0.000 1.340 263 I HN 0.227 nan 8.210 nan 0.000 0.455 264 K N 6.135 126.493 120.400 -0.071 0.000 2.541 264 K HA 0.404 4.724 4.320 -0.000 0.000 0.250 264 K C 0.459 177.001 176.600 -0.096 0.000 0.950 264 K CA -0.637 55.594 56.287 -0.093 0.000 0.805 264 K CB 2.436 34.860 32.500 -0.127 0.000 1.166 264 K HN 0.544 nan 8.250 nan 0.000 0.430 265 L N 1.829 123.003 121.223 -0.082 0.000 2.129 265 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 265 L C 1.823 178.646 176.870 -0.079 0.000 1.087 265 L CA 1.211 56.008 54.840 -0.072 0.000 0.757 265 L CB -0.303 41.717 42.059 -0.065 0.000 0.896 265 L HN 0.681 nan 8.230 nan 0.000 0.434 266 M N -0.638 118.900 119.600 -0.104 0.000 2.557 266 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 266 M C 1.914 178.106 176.300 -0.180 0.000 1.086 266 M CA 1.374 56.599 55.300 -0.124 0.000 1.096 266 M CB -0.712 31.811 32.600 -0.128 0.000 1.424 266 M HN 0.223 nan 8.290 nan 0.000 0.488 267 K N -0.415 119.854 120.400 -0.218 0.000 2.202 267 K HA 0.001 4.320 4.320 -0.000 0.000 0.201 267 K C 1.961 178.481 176.600 -0.134 0.000 1.051 267 K CA 1.236 57.305 56.287 -0.362 0.000 0.977 267 K CB 0.252 32.459 32.500 -0.489 0.000 0.792 267 K HN 0.501 nan 8.250 nan 0.000 0.469 268 C N -1.507 117.758 119.300 -0.058 0.000 2.634 268 C HA 0.430 4.890 4.460 -0.000 0.000 0.268 268 C C 1.409 176.415 174.990 0.028 0.000 1.322 268 C CA -0.001 59.029 59.018 0.020 0.000 1.737 268 C CB -0.279 27.462 27.740 0.002 0.000 1.976 268 C HN 0.570 nan 8.230 nan 0.000 0.547 269 G N -0.187 108.618 108.800 0.009 0.000 2.138 269 G HA2 0.433 4.393 3.960 -0.000 0.000 0.193 269 G HA3 0.433 4.393 3.960 -0.000 0.000 0.193 269 G C 0.544 175.524 174.900 0.132 0.000 0.998 269 G CA 0.139 45.276 45.100 0.062 0.000 0.668 269 G HN 2.395 nan 8.290 nan 0.000 0.516 270 G N -1.548 107.287 108.800 0.058 0.000 2.354 270 G HA2 0.238 4.198 3.960 -0.000 0.000 0.582 270 G HA3 0.238 4.198 3.960 -0.000 0.000 0.582 270 G C 0.696 175.581 174.900 -0.025 0.000 1.316 270 G CA -0.142 44.997 45.100 0.065 0.000 0.995 270 G HN 0.814 nan 8.290 nan 0.000 0.573 271 I N -0.048 120.444 120.570 -0.131 0.000 2.286 271 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 271 I C 2.365 178.352 176.117 -0.218 0.000 1.115 271 I CA 1.641 62.746 61.300 -0.325 0.000 1.392 271 I CB -0.277 37.217 38.000 -0.844 0.000 1.065 271 I HN 0.701 nan 8.210 nan 0.000 0.418 272 H N 1.445 120.435 119.070 -0.133 0.000 2.352 272 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 272 H C 1.862 177.099 175.328 -0.151 0.000 1.097 272 H CA 1.592 57.615 56.048 -0.040 0.000 1.311 272 H CB 0.374 30.130 29.762 -0.010 0.000 1.377 272 H HN 0.325 nan 8.280 nan 0.000 0.504 273 E N 0.323 120.432 120.200 -0.152 0.000 2.170 273 E HA -0.009 4.340 4.350 -0.000 0.000 0.191 273 E C 2.348 178.879 176.600 -0.115 0.000 0.981 273 E CA 0.691 56.999 56.400 -0.153 0.000 0.830 273 E CB -0.338 29.307 29.700 -0.093 0.000 0.775 273 E HN 0.498 nan 8.360 nan 0.000 0.470 274 A N 1.532 124.291 122.820 -0.101 0.000 1.933 274 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 274 A C 2.354 179.882 177.584 -0.093 0.000 1.175 274 A CA 0.900 52.886 52.037 -0.085 0.000 0.628 274 A CB -0.683 18.265 19.000 -0.088 0.000 0.814 274 A HN 0.162 nan 8.150 nan 0.000 0.444 275 L N -0.723 120.426 121.223 -0.124 0.000 2.046 275 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 275 L C 2.581 179.385 176.870 -0.109 0.000 1.077 275 L CA 1.770 56.543 54.840 -0.112 0.000 0.747 275 L CB -0.440 41.544 42.059 -0.124 0.000 0.896 275 L HN 0.377 nan 8.230 nan 0.000 0.432 276 K N 0.280 120.595 120.400 -0.141 0.000 2.002 276 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 276 K C 2.042 178.603 176.600 -0.066 0.000 1.048 276 K CA 1.403 57.623 56.287 -0.111 0.000 0.930 276 K CB -0.280 32.146 32.500 -0.123 0.000 0.714 276 K HN 0.203 nan 8.250 nan 0.000 0.438 277 I N 1.586 122.123 120.570 -0.055 0.000 2.118 277 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 277 I C 2.364 178.463 176.117 -0.030 0.000 1.070 277 I CA 1.496 62.778 61.300 -0.030 0.000 1.327 277 I CB -0.519 37.470 38.000 -0.019 0.000 1.034 277 I HN 0.247 nan 8.210 nan 0.000 0.405 278 N N 0.756 119.432 118.700 -0.040 0.000 2.104 278 N HA -0.237 4.503 4.740 -0.000 0.000 0.190 278 N C 1.892 177.379 175.510 -0.038 0.000 1.024 278 N CA 1.650 54.678 53.050 -0.038 0.000 0.853 278 N CB -0.078 38.383 38.487 -0.044 0.000 1.008 278 N HN 0.355 nan 8.380 nan 0.000 0.424 279 Q N -0.305 119.469 119.800 -0.043 0.000 2.084 279 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 279 Q C 2.157 178.140 176.000 -0.029 0.000 0.978 279 Q CA 1.392 57.172 55.803 -0.038 0.000 0.844 279 Q CB -0.110 28.604 28.738 -0.041 0.000 0.898 279 Q HN 0.507 nan 8.270 nan 0.000 0.426 280 I N 0.044 120.598 120.570 -0.027 0.000 2.226 280 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 280 I C 2.343 178.452 176.117 -0.014 0.000 1.100 280 I CA 0.755 62.044 61.300 -0.018 0.000 1.374 280 I CB -0.284 37.707 38.000 -0.014 0.000 1.057 280 I HN 0.332 nan 8.210 nan 0.000 0.413 281 C N 0.266 119.556 119.300 -0.016 0.000 2.453 281 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 281 C C 2.800 177.780 174.990 -0.017 0.000 1.262 281 C CA 0.982 59.992 59.018 -0.013 0.000 1.718 281 C CB -0.936 26.796 27.740 -0.012 0.000 2.031 281 C HN 0.529 nan 8.230 nan 0.000 0.480 282 E N 0.587 120.772 120.200 -0.025 0.000 2.085 282 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 282 E C 1.910 178.496 176.600 -0.023 0.000 0.994 282 E CA 1.905 58.286 56.400 -0.030 0.000 0.801 282 E CB -0.100 29.574 29.700 -0.043 0.000 0.743 282 E HN 0.587 nan 8.360 nan 0.000 0.453 283 T N 0.169 114.711 114.554 -0.020 0.000 2.746 283 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 283 T C 1.703 176.397 174.700 -0.010 0.000 1.039 283 T CA 1.304 63.396 62.100 -0.014 0.000 1.142 283 T CB -0.205 68.656 68.868 -0.013 0.000 0.866 283 T HN 0.326 nan 8.240 nan 0.000 0.444 284 A N 0.219 123.034 122.820 -0.009 0.000 2.208 284 A HA 0.499 4.819 4.320 -0.000 0.000 0.209 284 A C 1.844 179.425 177.584 -0.005 0.000 1.161 284 A CA 0.835 52.870 52.037 -0.005 0.000 0.782 284 A CB -0.689 18.309 19.000 -0.002 0.000 0.816 284 A HN 0.776 nan 8.150 nan 0.000 0.477 285 G N -0.853 107.942 108.800 -0.008 0.000 2.149 285 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 285 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 285 G C -0.054 174.843 174.900 -0.006 0.000 1.018 285 G CA 0.244 45.340 45.100 -0.008 0.000 0.728 285 G HN 0.479 nan 8.290 nan 0.000 0.508 286 I N 1.215 121.781 120.570 -0.006 0.000 2.330 286 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 286 I C 0.671 176.783 176.117 -0.007 0.000 1.001 286 I CA -0.758 60.541 61.300 -0.003 0.000 1.193 286 I CB 1.060 39.060 38.000 0.001 0.000 1.345 286 I HN 0.137 nan 8.210 nan 0.000 0.461 287 E N 4.515 124.712 120.200 -0.005 0.000 2.371 287 E HA 0.332 4.682 4.350 -0.000 0.000 0.257 287 E C -0.951 175.645 176.600 -0.006 0.000 1.134 287 E CA -0.462 55.933 56.400 -0.009 0.000 0.919 287 E CB 1.393 31.091 29.700 -0.003 0.000 1.025 287 E HN 0.517 nan 8.360 nan 0.000 0.438 288 C N 1.374 120.668 119.300 -0.010 0.000 2.614 288 C HA 0.571 5.031 4.460 -0.000 0.000 0.320 288 C C -0.215 174.773 174.990 -0.004 0.000 1.200 288 C CA -0.688 58.326 59.018 -0.007 0.000 1.700 288 C CB 1.055 28.786 27.740 -0.015 0.000 2.275 288 C HN 0.735 nan 8.230 nan 0.000 0.492 289 M N 2.888 122.487 119.600 -0.002 0.000 2.253 289 M HA 0.624 5.104 4.480 -0.000 0.000 0.314 289 M C -1.148 175.147 176.300 -0.009 0.000 1.019 289 M CA -0.494 54.806 55.300 -0.000 0.000 0.932 289 M CB 1.016 33.619 32.600 0.005 0.000 1.606 289 M HN 0.727 nan 8.290 nan 0.000 0.430 290 I N 4.447 125.011 120.570 -0.011 0.000 2.474 290 I HA 0.642 4.812 4.170 -0.000 0.000 0.287 290 I C 0.161 176.261 176.117 -0.030 0.000 1.048 290 I CA 0.631 61.917 61.300 -0.022 0.000 1.383 290 I CB 1.082 39.070 38.000 -0.019 0.000 1.412 290 I HN 0.780 nan 8.210 nan 0.000 0.531 291 G N 5.414 114.188 108.800 -0.044 0.000 3.211 291 G HA2 0.748 4.708 3.960 -0.000 0.000 0.262 291 G HA3 0.748 4.708 3.960 -0.000 0.000 0.262 291 G C -1.373 173.480 174.900 -0.078 0.000 1.352 291 G CA -0.085 44.981 45.100 -0.057 0.000 1.004 291 G HN 1.025 nan 8.290 nan 0.000 0.559 292 C N -2.231 117.014 119.300 -0.092 0.000 3.312 292 C HA 0.801 5.261 4.460 -0.000 0.000 0.332 292 C C -0.644 174.279 174.990 -0.112 0.000 1.340 292 C CA -1.222 57.730 59.018 -0.110 0.000 1.265 292 C CB 0.857 28.517 27.740 -0.134 0.000 1.563 292 C HN 0.681 nan 8.230 nan 0.000 0.471 293 M N 1.941 121.471 119.600 -0.117 0.000 2.409 293 M HA 0.459 4.939 4.480 -0.000 0.000 0.329 293 M C 1.199 177.419 176.300 -0.135 0.000 1.180 293 M CA -0.139 55.093 55.300 -0.113 0.000 1.053 293 M CB 1.324 33.852 32.600 -0.119 0.000 1.586 293 M HN 1.075 nan 8.290 nan 0.000 0.461 294 A N 1.360 124.102 122.820 -0.131 0.000 2.119 294 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 294 A C 1.587 179.092 177.584 -0.131 0.000 1.153 294 A CA 1.259 53.202 52.037 -0.157 0.000 0.692 294 A CB -0.372 18.549 19.000 -0.131 0.000 0.799 294 A HN 0.866 nan 8.150 nan 0.000 0.458 295 E N 0.625 120.749 120.200 -0.126 0.000 2.371 295 E HA -0.009 4.340 4.350 -0.000 0.000 0.194 295 E C 0.676 177.216 176.600 -0.100 0.000 1.012 295 E CA 0.592 56.925 56.400 -0.113 0.000 0.860 295 E CB 0.066 29.690 29.700 -0.127 0.000 0.811 295 E HN 0.898 nan 8.360 nan 0.000 0.502 296 E N 0.085 120.221 120.200 -0.107 0.000 2.318 296 E HA 0.347 4.696 4.350 -0.000 0.000 0.265 296 E C 0.290 176.832 176.600 -0.095 0.000 1.069 296 E CA -0.406 55.938 56.400 -0.095 0.000 0.893 296 E CB 1.352 30.996 29.700 -0.094 0.000 1.076 296 E HN -0.005 nan 8.360 nan 0.000 0.414 297 T N -1.603 112.904 114.554 -0.079 0.000 2.619 297 T HA 0.199 4.549 4.350 -0.000 0.000 0.244 297 T C 1.309 175.970 174.700 -0.065 0.000 0.893 297 T CA 0.067 62.123 62.100 -0.073 0.000 1.093 297 T CB 0.242 69.075 68.868 -0.057 0.000 1.567 297 T HN 0.390 nan 8.240 nan 0.000 0.549 298 T N 1.284 115.808 114.554 -0.051 0.000 2.649 298 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 298 T C 1.929 176.611 174.700 -0.031 0.000 1.036 298 T CA 2.164 64.242 62.100 -0.037 0.000 1.157 298 T CB -0.802 68.045 68.868 -0.034 0.000 0.861 298 T HN 0.481 nan 8.240 nan 0.000 0.445 299 I N 0.923 121.471 120.570 -0.038 0.000 2.142 299 I HA -0.090 4.080 4.170 -0.000 0.000 0.240 299 I C 2.981 179.089 176.117 -0.016 0.000 1.078 299 I CA 1.443 62.732 61.300 -0.019 0.000 1.343 299 I CB -0.889 37.105 38.000 -0.010 0.000 1.046 299 I HN 0.324 nan 8.210 nan 0.000 0.405 300 G N 1.442 110.223 108.800 -0.032 0.000 2.446 300 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 300 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 300 G C 1.604 176.480 174.900 -0.040 0.000 1.168 300 G CA 0.566 45.643 45.100 -0.040 0.000 0.771 300 G HN 0.180 nan 8.290 nan 0.000 0.551 301 I N 1.412 121.951 120.570 -0.050 0.000 2.226 301 I HA -0.121 4.048 4.170 -0.000 0.000 0.245 301 I C 2.924 179.041 176.117 -0.001 0.000 1.100 301 I CA 1.536 62.804 61.300 -0.052 0.000 1.374 301 I CB -1.582 36.364 38.000 -0.090 0.000 1.057 301 I HN 0.116 nan 8.210 nan 0.000 0.413 302 T N 1.452 116.022 114.554 0.026 0.000 2.708 302 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 302 T C 2.072 176.854 174.700 0.136 0.000 1.037 302 T CA 1.662 63.823 62.100 0.101 0.000 1.146 302 T CB -0.339 68.581 68.868 0.086 0.000 0.865 302 T HN 0.456 nan 8.240 nan 0.000 0.435 303 A N 1.413 124.260 122.820 0.045 0.000 1.908 303 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 303 A C 2.625 180.233 177.584 0.040 0.000 1.181 303 A CA 1.948 53.994 52.037 0.015 0.000 0.627 303 A CB -1.078 17.909 19.000 -0.022 0.000 0.818 303 A HN 0.521 nan 8.150 nan 0.000 0.445 304 A N -0.286 122.546 122.820 0.019 0.000 1.930 304 A HA 0.215 4.534 4.320 -0.000 0.000 0.217 304 A C 2.496 180.103 177.584 0.038 0.000 1.175 304 A CA 1.914 53.954 52.037 0.004 0.000 0.627 304 A CB -0.967 18.017 19.000 -0.026 0.000 0.815 304 A HN 1.042 nan 8.150 nan 0.000 0.443 305 A N -0.984 121.875 122.820 0.064 0.000 1.902 305 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 305 A C 2.065 179.686 177.584 0.062 0.000 1.181 305 A CA 1.592 53.660 52.037 0.051 0.000 0.623 305 A CB -1.001 18.029 19.000 0.051 0.000 0.818 305 A HN 0.706 nan 8.150 nan 0.000 0.443 306 H N -1.384 117.716 119.070 0.051 0.000 2.353 306 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 306 H C 2.140 177.525 175.328 0.095 0.000 1.090 306 H CA 1.767 57.884 56.048 0.116 0.000 1.327 306 H CB -0.163 29.687 29.762 0.148 0.000 1.383 306 H HN 0.443 nan 8.280 nan 0.000 0.508 307 L N 1.143 122.461 121.223 0.158 0.000 2.046 307 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 307 L C 2.534 179.435 176.870 0.051 0.000 1.077 307 L CA 1.793 56.675 54.840 0.069 0.000 0.747 307 L CB -0.736 41.318 42.059 -0.008 0.000 0.896 307 L HN 0.140 nan 8.230 nan 0.000 0.432 308 A N -0.498 122.345 122.820 0.037 0.000 1.930 308 A HA -0.023 4.296 4.320 -0.000 0.000 0.217 308 A C 2.440 180.043 177.584 0.032 0.000 1.175 308 A CA 1.617 53.667 52.037 0.021 0.000 0.627 308 A CB -1.096 17.910 19.000 0.010 0.000 0.815 308 A HN 0.574 nan 8.150 nan 0.000 0.443 309 A N -0.278 122.552 122.820 0.015 0.000 1.930 309 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 309 A C 2.364 179.996 177.584 0.079 0.000 1.175 309 A CA 1.753 53.780 52.037 -0.017 0.000 0.627 309 A CB -0.782 18.106 19.000 -0.187 0.000 0.815 309 A HN 1.032 nan 8.150 nan 0.000 0.443 310 A N -1.824 121.074 122.820 0.131 0.000 2.167 310 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 310 A C 0.943 178.612 177.584 0.141 0.000 1.151 310 A CA 0.482 52.633 52.037 0.190 0.000 0.735 310 A CB 0.013 19.140 19.000 0.211 0.000 0.802 310 A HN 0.415 nan 8.150 nan 0.000 0.467 311 Q N -0.430 119.415 119.800 0.076 0.000 2.333 311 Q HA 0.227 4.567 4.340 -0.000 0.000 0.268 311 Q C 0.389 176.325 176.000 -0.108 0.000 1.007 311 Q CA -0.273 55.521 55.803 -0.016 0.000 0.810 311 Q CB 1.887 30.611 28.738 -0.023 0.000 1.264 311 Q HN 0.524 nan 8.270 nan 0.000 0.452 312 K N 2.816 123.003 120.400 -0.355 0.000 2.057 312 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 312 K C 1.148 177.584 176.600 -0.273 0.000 1.049 312 K CA 1.689 57.593 56.287 -0.638 0.000 0.931 312 K CB 0.278 32.145 32.500 -1.054 0.000 0.714 312 K HN 0.385 nan 8.250 nan 0.000 0.440 313 N N 0.630 119.220 118.700 -0.183 0.000 2.381 313 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 313 N C 0.053 175.528 175.510 -0.059 0.000 1.025 313 N CA 0.485 53.475 53.050 -0.101 0.000 0.888 313 N CB 0.039 38.479 38.487 -0.079 0.000 0.965 313 N HN 0.172 nan 8.380 nan 0.000 0.438 314 I N 1.282 121.821 120.570 -0.051 0.000 2.243 314 I HA 0.027 4.197 4.170 -0.000 0.000 0.297 314 I C 1.043 177.158 176.117 -0.004 0.000 1.161 314 I CA -0.075 61.212 61.300 -0.022 0.000 1.298 314 I CB 0.317 38.308 38.000 -0.016 0.000 1.475 314 I HN 0.190 nan 8.210 nan 0.000 0.561 315 T N 2.133 116.687 114.554 0.000 0.000 3.065 315 T HA 0.211 4.560 4.350 -0.000 0.000 0.252 315 T C 0.933 175.650 174.700 0.027 0.000 1.099 315 T CA 0.081 62.192 62.100 0.019 0.000 1.063 315 T CB 0.238 69.116 68.868 0.016 0.000 0.948 315 T HN 0.398 nan 8.240 nan 0.000 0.506 316 R N 0.183 120.696 120.500 0.022 0.000 2.854 316 R HA 0.814 5.154 4.340 -0.000 0.000 0.271 316 R C -1.486 174.828 176.300 0.024 0.000 0.994 316 R CA -0.876 55.241 56.100 0.028 0.000 0.945 316 R CB 2.277 32.593 30.300 0.027 0.000 1.194 316 R HN 0.249 nan 8.270 nan 0.000 0.476 317 A N 0.876 123.715 122.820 0.033 0.000 2.455 317 A HA 0.392 4.712 4.320 -0.000 0.000 0.300 317 A C -1.573 176.029 177.584 0.030 0.000 1.040 317 A CA -0.573 51.479 52.037 0.026 0.000 0.697 317 A CB 1.660 20.679 19.000 0.031 0.000 1.265 317 A HN 0.712 nan 8.150 nan 0.000 0.407 318 D N 2.409 122.809 120.400 0.001 0.000 2.513 318 D HA 0.423 5.063 4.640 -0.000 0.000 0.295 318 D C -1.162 175.098 176.300 -0.068 0.000 1.202 318 D CA 0.055 54.045 54.000 -0.017 0.000 0.849 318 D CB 0.011 40.798 40.800 -0.022 0.000 1.116 318 D HN 0.328 nan 8.370 nan 0.000 0.502 319 L N 2.641 123.815 121.223 -0.081 0.000 2.599 319 L HA 0.363 4.703 4.340 -0.000 0.000 0.241 319 L C 0.121 176.766 176.870 -0.374 0.000 1.207 319 L CA -0.400 54.340 54.840 -0.167 0.000 0.987 319 L CB 0.842 42.839 42.059 -0.103 0.000 1.318 319 L HN 0.191 nan 8.230 nan 0.000 0.458 320 D N -0.226 119.897 120.400 -0.462 0.000 2.402 320 D HA 0.070 4.710 4.640 -0.000 0.000 0.216 320 D C 1.502 177.336 176.300 -0.776 0.000 1.128 320 D CA 0.110 53.571 54.000 -0.898 0.000 0.833 320 D CB 0.641 41.245 40.800 -0.327 0.000 0.971 320 D HN 0.251 nan 8.370 nan 0.000 0.503 321 A N 1.116 123.627 122.820 -0.516 0.000 1.933 321 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 321 A C 2.290 179.700 177.584 -0.290 0.000 1.175 321 A CA 2.268 54.093 52.037 -0.353 0.000 0.628 321 A CB -1.132 17.718 19.000 -0.250 0.000 0.814 321 A HN 0.415 nan 8.150 nan 0.000 0.444 322 T N -3.396 110.955 114.554 -0.338 0.000 2.995 322 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 322 T C 1.416 176.149 174.700 0.054 0.000 1.091 322 T CA 1.026 63.048 62.100 -0.129 0.000 1.128 322 T CB -0.577 68.253 68.868 -0.064 0.000 0.891 322 T HN 0.226 nan 8.240 nan 0.000 0.492 323 F N 2.417 122.359 119.950 -0.014 0.000 2.333 323 F HA 0.259 4.786 4.527 -0.000 0.000 0.300 323 F C 2.429 178.234 175.800 0.009 0.000 1.083 323 F CA 0.089 58.096 58.000 0.011 0.000 1.395 323 F CB -1.202 37.806 39.000 0.013 0.000 1.056 323 F HN 0.430 nan 8.300 nan 0.000 0.529 324 G N -0.506 108.377 108.800 0.137 0.000 3.126 324 G HA2 0.271 4.231 3.960 -0.000 0.000 0.224 324 G HA3 0.271 4.231 3.960 -0.000 0.000 0.224 324 G C 0.477 175.415 174.900 0.063 0.000 1.142 324 G CA -0.230 44.929 45.100 0.098 0.000 0.759 324 G HN 0.096 nan 8.290 nan 0.000 0.550 325 L N 0.785 122.037 121.223 0.048 0.000 2.380 325 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 325 L C 1.293 178.188 176.870 0.041 0.000 1.138 325 L CA -0.362 54.495 54.840 0.029 0.000 0.832 325 L CB 1.229 43.295 42.059 0.012 0.000 1.124 325 L HN 0.172 nan 8.230 nan 0.000 0.454 326 E N 0.932 121.151 120.200 0.032 0.000 2.106 326 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 326 E C 0.240 176.856 176.600 0.028 0.000 0.984 326 E CA 1.320 57.739 56.400 0.031 0.000 0.806 326 E CB 0.237 29.952 29.700 0.025 0.000 0.750 326 E HN 0.839 nan 8.360 nan 0.000 0.458 327 T N -2.812 111.755 114.554 0.022 0.000 2.792 327 T HA 0.648 4.998 4.350 -0.000 0.000 0.303 327 T C -1.028 173.680 174.700 0.013 0.000 1.310 327 T CA -0.919 61.192 62.100 0.019 0.000 1.007 327 T CB 1.886 70.763 68.868 0.016 0.000 1.335 327 T HN 0.030 nan 8.240 nan 0.000 0.504 328 A N 1.976 124.803 122.820 0.012 0.000 2.301 328 A HA 0.732 5.052 4.320 -0.000 0.000 0.312 328 A C -1.289 176.296 177.584 0.002 0.000 1.182 328 A CA -1.758 50.281 52.037 0.003 0.000 0.826 328 A CB 0.355 19.358 19.000 0.004 0.000 1.134 328 A HN 0.767 nan 8.150 nan 0.000 0.501 329 P HA 0.118 nan 4.420 nan 0.000 0.245 329 P C 0.087 177.388 177.300 0.001 0.000 1.206 329 P CA 0.613 63.708 63.100 -0.010 0.000 0.781 329 P CB 0.259 31.933 31.700 -0.043 0.000 0.994 330 V N -1.256 118.648 119.914 -0.017 0.000 3.202 330 V HA 0.428 4.548 4.120 -0.000 0.000 0.306 330 V C -1.061 175.009 176.094 -0.041 0.000 1.283 330 V CA -0.555 61.726 62.300 -0.032 0.000 1.065 330 V CB 2.310 34.012 31.823 -0.202 0.000 1.079 330 V HN -0.152 nan 8.190 nan 0.000 0.448 331 T N 2.104 116.619 114.554 -0.065 0.000 2.867 331 T HA 0.754 5.104 4.350 -0.000 0.000 0.282 331 T C 0.025 174.695 174.700 -0.050 0.000 1.000 331 T CA 0.590 62.663 62.100 -0.046 0.000 1.042 331 T CB 0.955 69.801 68.868 -0.037 0.000 0.973 331 T HN 1.889 nan 8.240 nan 0.000 0.465 332 G N 1.068 109.858 108.800 -0.016 0.000 2.757 332 G HA2 0.383 4.343 3.960 -0.000 0.000 0.638 332 G HA3 0.383 4.343 3.960 -0.000 0.000 0.638 332 G C 0.183 175.089 174.900 0.011 0.000 1.344 332 G CA -0.368 44.735 45.100 0.004 0.000 0.855 332 G HN 1.914 nan 8.290 nan 0.000 0.537 333 G N -2.544 106.281 108.800 0.042 0.000 2.725 333 G HA2 0.233 4.193 3.960 -0.000 0.000 0.220 333 G HA3 0.233 4.193 3.960 -0.000 0.000 0.220 333 G C 0.276 175.214 174.900 0.063 0.000 1.357 333 G CA 0.218 45.355 45.100 0.062 0.000 0.866 333 G HN 2.106 nan 8.290 nan 0.000 0.548 334 V N 0.841 120.795 119.914 0.068 0.000 2.617 334 V HA 0.361 4.481 4.120 -0.000 0.000 0.304 334 V C 1.555 177.688 176.094 0.065 0.000 1.040 334 V CA 1.080 63.420 62.300 0.066 0.000 1.149 334 V CB 1.094 32.948 31.823 0.052 0.000 0.914 334 V HN 1.349 nan 8.190 nan 0.000 0.487 335 S N 3.561 119.314 115.700 0.088 0.000 2.593 335 S HA 0.229 4.699 4.470 -0.000 0.000 0.269 335 S C 0.813 175.499 174.600 0.144 0.000 1.334 335 S CA -0.676 57.581 58.200 0.096 0.000 1.015 335 S CB 0.693 63.945 63.200 0.086 0.000 0.912 335 S HN 0.519 nan 8.310 nan 0.000 0.541 336 L N 2.060 123.356 121.223 0.121 0.000 2.395 336 L HA 0.290 4.629 4.340 -0.000 0.000 0.218 336 L C 1.353 178.348 176.870 0.208 0.000 1.130 336 L CA 0.925 55.858 54.840 0.155 0.000 0.826 336 L CB -1.058 41.057 42.059 0.094 0.000 0.941 336 L HN 0.738 nan 8.230 nan 0.000 0.451 337 E N 0.615 120.902 120.200 0.145 0.000 2.465 337 E HA 0.110 4.460 4.350 -0.000 0.000 0.260 337 E C 0.076 176.667 176.600 -0.015 0.000 0.980 337 E CA -0.079 56.360 56.400 0.065 0.000 0.927 337 E CB 0.672 30.387 29.700 0.025 0.000 0.934 337 E HN 0.244 nan 8.360 nan 0.000 0.459 338 A N 6.178 128.874 122.820 -0.207 0.000 2.805 338 A HA 0.147 4.467 4.320 -0.000 0.000 0.301 338 A C -0.461 176.838 177.584 -0.476 0.000 1.557 338 A CA -0.144 51.458 52.037 -0.726 0.000 1.254 338 A CB -0.336 18.451 19.000 -0.356 0.000 1.114 338 A HN 0.506 nan 8.150 nan 0.000 0.553 339 K N 2.234 122.318 120.400 -0.528 0.000 2.469 339 K HA 0.596 4.916 4.320 -0.000 0.000 0.254 339 K C -2.790 173.590 176.600 -0.366 0.000 0.939 339 K CA -1.887 54.129 56.287 -0.451 0.000 0.812 339 K CB 2.452 34.815 32.500 -0.229 0.000 1.301 339 K HN 0.100 nan 8.250 nan 0.000 0.433 340 P HA -0.121 nan 4.420 nan 0.000 0.220 340 P C 0.299 177.581 177.300 -0.029 0.000 1.152 340 P CA 0.514 63.439 63.100 -0.291 0.000 0.812 340 P CB 0.223 31.621 31.700 -0.503 0.000 0.792 341 L N 1.085 122.252 121.223 -0.093 0.000 2.281 341 L HA 0.246 4.585 4.340 -0.000 0.000 0.285 341 L C -0.333 176.542 176.870 0.009 0.000 1.074 341 L CA -0.253 54.566 54.840 -0.036 0.000 0.817 341 L CB -0.021 41.998 42.059 -0.067 0.000 1.168 341 L HN -0.175 nan 8.230 nan 0.000 0.434 342 L N 6.059 127.294 121.223 0.020 0.000 2.337 342 L HA 0.436 4.776 4.340 -0.000 0.000 0.269 342 L C -0.247 176.604 176.870 -0.031 0.000 1.018 342 L CA -0.380 54.475 54.840 0.025 0.000 0.876 342 L CB 0.792 42.878 42.059 0.045 0.000 1.236 342 L HN 0.603 nan 8.230 nan 0.000 0.436 343 E N 4.492 124.672 120.200 -0.032 0.000 2.167 343 E HA 0.412 4.762 4.350 -0.000 0.000 0.284 343 E C -0.768 175.795 176.600 -0.062 0.000 1.016 343 E CA -0.518 55.843 56.400 -0.064 0.000 0.817 343 E CB 1.891 31.565 29.700 -0.044 0.000 1.080 343 E HN 0.459 nan 8.360 nan 0.000 0.397 344 L N 2.549 123.691 121.223 -0.136 0.000 2.312 344 L HA 0.348 4.688 4.340 -0.000 0.000 0.281 344 L C 1.068 177.953 176.870 0.025 0.000 1.070 344 L CA -0.550 54.229 54.840 -0.102 0.000 0.805 344 L CB 0.960 42.803 42.059 -0.360 0.000 1.174 344 L HN 0.637 nan 8.230 nan 0.000 0.434 345 G N 1.135 110.008 108.800 0.122 0.000 2.546 345 G HA2 0.145 4.104 3.960 -0.000 0.000 0.239 345 G HA3 0.145 4.104 3.960 -0.000 0.000 0.239 345 G C 0.454 175.480 174.900 0.210 0.000 1.476 345 G CA -0.178 45.003 45.100 0.136 0.000 1.064 345 G HN 0.672 nan 8.290 nan 0.000 0.561 346 E N -0.308 119.980 120.200 0.147 0.000 2.489 346 E HA 0.251 4.601 4.350 -0.000 0.000 0.204 346 E C 1.275 177.930 176.600 0.092 0.000 1.006 346 E CA -0.064 56.410 56.400 0.123 0.000 0.936 346 E CB 0.527 30.277 29.700 0.084 0.000 1.002 346 E HN 0.450 nan 8.360 nan 0.000 0.488 347 A N 1.760 124.643 122.820 0.105 0.000 2.531 347 A HA 0.357 4.677 4.320 -0.000 0.000 0.236 347 A C 0.616 178.244 177.584 0.074 0.000 1.062 347 A CA 0.406 52.493 52.037 0.084 0.000 0.760 347 A CB 0.194 19.248 19.000 0.090 0.000 0.995 347 A HN 0.168 nan 8.150 nan 0.000 0.501 348 A N 1.849 124.697 122.820 0.047 0.000 2.445 348 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 348 A C 1.581 179.177 177.584 0.020 0.000 1.075 348 A CA 0.801 52.854 52.037 0.026 0.000 0.777 348 A CB -0.725 18.289 19.000 0.024 0.000 1.013 348 A HN 2.907 nan 8.150 nan 0.000 0.493 349 G N 0.125 108.918 108.800 -0.011 0.000 2.591 349 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.298 349 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.298 349 G C 0.754 175.573 174.900 -0.137 0.000 1.195 349 G CA 0.667 45.735 45.100 -0.054 0.000 0.989 349 G HN 1.165 nan 8.290 nan 0.000 0.551 350 L N 1.898 123.057 121.223 -0.106 0.000 2.477 350 L HA 0.412 4.752 4.340 -0.000 0.000 0.220 350 L C 2.229 179.118 176.870 0.031 0.000 1.106 350 L CA 0.883 55.641 54.840 -0.137 0.000 0.851 350 L CB -0.252 41.771 42.059 -0.060 0.000 0.994 350 L HN 2.015 nan 8.230 nan 0.000 0.462 351 G N 1.562 110.398 108.800 0.060 0.000 2.198 351 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 351 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 351 G C -0.061 174.879 174.900 0.066 0.000 1.042 351 G CA 0.019 45.168 45.100 0.082 0.000 0.791 351 G HN 0.283 nan 8.290 nan 0.000 0.502 352 I N 0.731 121.343 120.570 0.069 0.000 2.530 352 I HA 0.678 4.848 4.170 -0.000 0.000 0.297 352 I C 0.510 176.613 176.117 -0.023 0.000 1.011 352 I CA -0.373 60.918 61.300 -0.015 0.000 1.107 352 I CB 2.208 40.164 38.000 -0.072 0.000 1.285 352 I HN 0.394 nan 8.210 nan 0.000 0.436 353 S N 3.901 119.501 115.700 -0.166 0.000 2.638 353 S HA 0.590 5.060 4.470 -0.000 0.000 0.274 353 S C -1.108 173.377 174.600 -0.193 0.000 1.157 353 S CA -0.753 57.396 58.200 -0.085 0.000 0.826 353 S CB 2.500 65.743 63.200 0.073 0.000 1.139 353 S HN 0.745 nan 8.310 nan 0.000 0.474 354 H N 0.000 118.994 119.070 -0.126 0.000 2.539 354 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 354 H CA 0.000 55.990 56.048 -0.097 0.000 1.023 354 H CB 0.000 29.718 29.762 -0.074 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496