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_H 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 0.000 176.315 176.300 0.024 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 K N 4.785 125.189 120.400 0.006 0.000 2.427 2 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 2 K C -1.116 175.473 176.600 -0.019 0.000 0.931 2 K CA -0.776 55.507 56.287 -0.007 0.000 0.793 2 K CB 2.778 35.273 32.500 -0.008 0.000 1.211 2 K HN 0.642 nan 8.250 nan 0.000 0.426 3 I N 3.280 123.832 120.570 -0.030 0.000 2.533 3 I HA -0.041 4.128 4.170 -0.000 0.000 0.284 3 I C 1.468 177.567 176.117 -0.030 0.000 1.109 3 I CA 0.405 61.682 61.300 -0.039 0.000 1.412 3 I CB 0.740 38.709 38.000 -0.052 0.000 1.396 3 I HN 0.694 nan 8.210 nan 0.000 0.543 4 K N 6.331 126.716 120.400 -0.026 0.000 2.121 4 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 4 K C 0.159 176.746 176.600 -0.022 0.000 1.041 4 K CA 0.649 56.925 56.287 -0.018 0.000 0.969 4 K CB 0.437 32.933 32.500 -0.007 0.000 0.799 4 K HN 0.758 nan 8.250 nan 0.000 0.456 5 Q N -0.345 119.442 119.800 -0.021 0.000 2.511 5 Q HA 0.482 4.822 4.340 -0.000 0.000 0.289 5 Q C -1.500 174.468 176.000 -0.052 0.000 1.021 5 Q CA -1.153 54.624 55.803 -0.044 0.000 0.785 5 Q CB 2.443 31.174 28.738 -0.012 0.000 1.472 5 Q HN -0.086 nan 8.270 nan 0.000 0.411 6 V N 1.191 121.025 119.914 -0.132 0.000 2.577 6 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 6 V C -1.402 174.560 176.094 -0.220 0.000 1.042 6 V CA -0.571 61.667 62.300 -0.103 0.000 0.872 6 V CB 1.601 33.380 31.823 -0.073 0.000 0.998 6 V HN 0.766 nan 8.190 nan 0.000 0.423 7 H N 1.860 120.917 119.070 -0.021 0.000 2.622 7 H HA 0.844 5.399 4.556 -0.000 0.000 0.363 7 H C -0.785 174.536 175.328 -0.012 0.000 1.151 7 H CA -0.490 55.550 56.048 -0.012 0.000 1.184 7 H CB 2.264 32.025 29.762 -0.002 0.000 1.643 7 H HN 0.492 nan 8.280 nan 0.000 0.531 8 V N 2.803 122.781 119.914 0.106 0.000 3.007 8 V HA 0.680 4.799 4.120 -0.000 0.000 0.311 8 V C -1.491 174.626 176.094 0.038 0.000 1.120 8 V CA -0.677 61.651 62.300 0.047 0.000 0.980 8 V CB 1.947 33.772 31.823 0.003 0.000 1.033 8 V HN 0.977 nan 8.190 nan 0.000 0.429 9 R N 4.481 124.985 120.500 0.008 0.000 2.668 9 R HA 0.871 5.211 4.340 -0.000 0.000 0.272 9 R C -0.864 175.422 176.300 -0.022 0.000 1.019 9 R CA -0.442 55.656 56.100 -0.004 0.000 0.894 9 R CB 1.886 32.180 30.300 -0.011 0.000 1.228 9 R HN 0.965 nan 8.270 nan 0.000 0.460 10 A N 1.337 124.145 122.820 -0.021 0.000 2.388 10 A HA 0.449 4.769 4.320 -0.000 0.000 0.257 10 A C -0.292 177.274 177.584 -0.030 0.000 1.095 10 A CA -0.243 51.778 52.037 -0.027 0.000 0.791 10 A CB 0.951 19.937 19.000 -0.023 0.000 1.029 10 A HN 0.653 nan 8.150 nan 0.000 0.489 11 S N 1.202 116.880 115.700 -0.036 0.000 2.561 11 S HA 0.572 5.042 4.470 -0.000 0.000 0.303 11 S C -0.927 173.653 174.600 -0.033 0.000 1.110 11 S CA -0.719 57.459 58.200 -0.037 0.000 1.034 11 S CB 0.480 63.650 63.200 -0.050 0.000 1.010 11 S HN 0.585 nan 8.310 nan 0.000 0.482 12 K N 4.784 125.170 120.400 -0.024 0.000 2.604 12 K HA 0.476 4.796 4.320 -0.000 0.000 0.247 12 K C -1.292 175.299 176.600 -0.015 0.000 0.956 12 K CA -0.293 55.981 56.287 -0.021 0.000 0.896 12 K CB 1.376 33.866 32.500 -0.016 0.000 1.131 12 K HN 0.585 nan 8.250 nan 0.000 0.440 13 I N 3.038 123.597 120.570 -0.017 0.000 2.382 13 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 13 I C -0.100 176.014 176.117 -0.005 0.000 1.002 13 I CA -1.058 60.236 61.300 -0.010 0.000 1.135 13 I CB 1.484 39.476 38.000 -0.014 0.000 1.288 13 I HN 0.287 nan 8.210 nan 0.000 0.448 14 K N 6.707 127.110 120.400 0.004 0.000 2.448 14 K HA 0.284 4.604 4.320 -0.000 0.000 0.278 14 K C -0.785 175.828 176.600 0.021 0.000 1.009 14 K CA 0.217 56.512 56.287 0.012 0.000 0.995 14 K CB 0.454 32.964 32.500 0.016 0.000 0.917 14 K HN 0.488 nan 8.250 nan 0.000 0.481 15 L N 4.891 126.133 121.223 0.031 0.000 2.399 15 L HA 0.222 4.562 4.340 -0.000 0.000 0.266 15 L C 1.246 178.153 176.870 0.062 0.000 1.114 15 L CA -0.378 54.492 54.840 0.050 0.000 0.804 15 L CB 0.910 43.011 42.059 0.070 0.000 1.146 15 L HN 0.733 nan 8.230 nan 0.000 0.451 16 K N 1.079 121.524 120.400 0.075 0.000 2.515 16 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 16 K C -0.251 176.394 176.600 0.076 0.000 1.038 16 K CA 0.662 56.992 56.287 0.071 0.000 0.967 16 K CB 0.074 32.620 32.500 0.077 0.000 0.780 16 K HN 0.649 nan 8.250 nan 0.000 0.483 17 E N -0.521 119.741 120.200 0.103 0.000 2.431 17 E HA 0.037 4.387 4.350 -0.000 0.000 0.287 17 E C -0.981 175.701 176.600 0.137 0.000 1.032 17 E CA -0.847 55.608 56.400 0.091 0.000 0.839 17 E CB 0.643 30.385 29.700 0.070 0.000 1.218 17 E HN -0.003 nan 8.360 nan 0.000 0.424 18 T N 0.230 114.836 114.554 0.087 0.000 2.930 18 T HA 0.379 4.728 4.350 -0.000 0.000 0.306 18 T C -0.414 174.358 174.700 0.120 0.000 1.045 18 T CA -0.179 61.987 62.100 0.111 0.000 1.134 18 T CB 0.149 69.053 68.868 0.060 0.000 0.961 18 T HN 0.332 nan 8.240 nan 0.000 0.545 19 F N 1.220 121.188 119.950 0.031 0.000 2.480 19 F HA 0.521 5.047 4.527 -0.000 0.000 0.329 19 F C 0.454 176.278 175.800 0.040 0.000 1.091 19 F CA -0.527 57.491 58.000 0.030 0.000 0.972 19 F CB 2.452 41.472 39.000 0.033 0.000 1.150 19 F HN 0.683 nan 8.300 nan 0.000 0.467 20 T N 6.024 120.603 114.554 0.042 0.000 2.840 20 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 20 T C -0.433 174.285 174.700 0.029 0.000 0.991 20 T CA -0.451 61.671 62.100 0.036 0.000 0.964 20 T CB 0.746 69.592 68.868 -0.036 0.000 0.954 20 T HN 0.500 nan 8.240 nan 0.000 0.438 21 I N -0.185 120.389 120.570 0.006 0.000 3.170 21 I HA 0.840 5.010 4.170 -0.000 0.000 0.312 21 I C 1.413 177.440 176.117 -0.149 0.000 1.085 21 I CA -1.435 59.830 61.300 -0.058 0.000 0.999 21 I CB 1.213 39.179 38.000 -0.056 0.000 1.233 21 I HN 0.547 nan 8.210 nan 0.000 0.467 22 A N 2.066 124.785 122.820 -0.168 0.000 1.986 22 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 22 A C 1.948 179.389 177.584 -0.237 0.000 1.171 22 A CA 1.673 53.605 52.037 -0.175 0.000 0.640 22 A CB -1.012 17.881 19.000 -0.179 0.000 0.811 22 A HN 0.765 nan 8.150 nan 0.000 0.451 23 L N -2.103 118.882 121.223 -0.398 0.000 2.395 23 L HA 0.283 4.622 4.340 -0.000 0.000 0.218 23 L C 1.339 177.790 176.870 -0.699 0.000 1.130 23 L CA 0.419 54.907 54.840 -0.587 0.000 0.826 23 L CB -0.584 40.957 42.059 -0.864 0.000 0.941 23 L HN 0.607 nan 8.230 nan 0.000 0.451 24 G N -0.600 107.860 108.800 -0.567 0.000 2.351 24 G HA2 0.234 4.194 3.960 -0.000 0.000 0.279 24 G HA3 0.234 4.194 3.960 -0.000 0.000 0.279 24 G C -1.061 173.872 174.900 0.055 0.000 1.297 24 G CA -0.083 44.911 45.100 -0.176 0.000 0.886 24 G HN 0.000 nan 8.290 nan 0.000 0.493 25 T N -2.086 112.633 114.554 0.276 0.000 2.901 25 T HA 0.787 5.137 4.350 -0.000 0.000 0.293 25 T C -0.781 174.084 174.700 0.275 0.000 1.084 25 T CA -0.497 61.752 62.100 0.247 0.000 1.008 25 T CB 2.144 71.090 68.868 0.130 0.000 1.170 25 T HN 1.595 nan 8.240 nan 0.000 0.509 26 I N 0.442 121.139 120.570 0.211 0.000 2.619 26 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 26 I C -0.169 176.011 176.117 0.106 0.000 1.100 26 I CA -0.694 60.680 61.300 0.122 0.000 1.043 26 I CB 2.105 40.153 38.000 0.079 0.000 1.239 26 I HN 0.926 nan 8.210 nan 0.000 0.420 27 E N 3.765 124.002 120.200 0.062 0.000 2.539 27 E HA 0.194 4.544 4.350 -0.000 0.000 0.215 27 E C -0.282 176.339 176.600 0.035 0.000 0.965 27 E CA -0.020 56.414 56.400 0.057 0.000 1.019 27 E CB 1.189 30.917 29.700 0.046 0.000 1.059 27 E HN 0.443 nan 8.360 nan 0.000 0.496 28 S N 0.162 115.870 115.700 0.013 0.000 2.536 28 S HA 0.587 5.057 4.470 -0.000 0.000 0.271 28 S C -1.585 172.999 174.600 -0.027 0.000 1.134 28 S CA -0.587 57.611 58.200 -0.003 0.000 0.897 28 S CB 1.616 64.812 63.200 -0.006 0.000 1.094 28 S HN 0.128 nan 8.310 nan 0.000 0.473 29 A N 3.363 126.163 122.820 -0.033 0.000 2.506 29 A HA 0.524 4.844 4.320 -0.000 0.000 0.320 29 A C -0.955 176.598 177.584 -0.052 0.000 1.424 29 A CA -0.386 51.619 52.037 -0.053 0.000 1.044 29 A CB -0.163 18.803 19.000 -0.056 0.000 1.140 29 A HN 0.676 nan 8.150 nan 0.000 0.538 30 D N 2.265 122.629 120.400 -0.061 0.000 2.373 30 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 30 D C 0.050 176.312 176.300 -0.064 0.000 1.091 30 D CA 0.323 54.290 54.000 -0.056 0.000 0.840 30 D CB 1.495 42.263 40.800 -0.054 0.000 1.060 30 D HN 0.540 nan 8.370 nan 0.000 0.502 31 S N 0.091 115.757 115.700 -0.057 0.000 2.651 31 S HA 0.856 5.326 4.470 -0.000 0.000 0.279 31 S C -0.848 173.722 174.600 -0.050 0.000 1.148 31 S CA -1.085 57.080 58.200 -0.059 0.000 0.837 31 S CB 1.956 65.119 63.200 -0.061 0.000 1.138 31 S HN 0.327 nan 8.310 nan 0.000 0.478 32 A N 1.148 123.939 122.820 -0.048 0.000 2.276 32 A HA 0.756 5.076 4.320 -0.000 0.000 0.316 32 A C -0.519 177.046 177.584 -0.032 0.000 1.229 32 A CA -0.796 51.217 52.037 -0.040 0.000 0.851 32 A CB -0.030 18.945 19.000 -0.042 0.000 1.165 32 A HN 0.802 nan 8.150 nan 0.000 0.513 33 I N 3.426 123.978 120.570 -0.030 0.000 2.339 33 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 33 I C -0.516 175.607 176.117 0.010 0.000 0.994 33 I CA -0.629 60.660 61.300 -0.019 0.000 1.191 33 I CB 1.722 39.686 38.000 -0.060 0.000 1.343 33 I HN 0.317 nan 8.210 nan 0.000 0.458 34 V N 5.870 125.806 119.914 0.037 0.000 2.713 34 V HA 0.398 4.517 4.120 -0.000 0.000 0.307 34 V C -0.161 175.976 176.094 0.073 0.000 1.052 34 V CA -0.568 61.759 62.300 0.046 0.000 0.967 34 V CB 1.940 33.780 31.823 0.028 0.000 1.019 34 V HN 0.707 nan 8.190 nan 0.000 0.459 35 E N 2.885 123.112 120.200 0.045 0.000 2.283 35 E HA 0.515 4.865 4.350 -0.000 0.000 0.258 35 E C -1.593 174.976 176.600 -0.052 0.000 0.893 35 E CA -0.427 55.951 56.400 -0.036 0.000 0.798 35 E CB 1.466 31.186 29.700 0.034 0.000 1.242 35 E HN 0.606 nan 8.360 nan 0.000 0.414 36 I N 3.508 124.001 120.570 -0.128 0.000 2.354 36 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 36 I C -0.123 175.925 176.117 -0.115 0.000 0.989 36 I CA -0.580 60.664 61.300 -0.092 0.000 1.188 36 I CB 1.735 39.680 38.000 -0.092 0.000 1.342 36 I HN 0.509 nan 8.210 nan 0.000 0.457 37 E N 4.837 125.000 120.200 -0.062 0.000 2.199 37 E HA 0.423 4.773 4.350 -0.000 0.000 0.269 37 E C -0.632 175.943 176.600 -0.041 0.000 0.899 37 E CA -0.598 55.768 56.400 -0.056 0.000 0.772 37 E CB 1.800 31.489 29.700 -0.019 0.000 1.155 37 E HN 0.688 nan 8.360 nan 0.000 0.408 38 T N 0.956 115.485 114.554 -0.042 0.000 2.881 38 T HA 0.205 4.555 4.350 -0.000 0.000 0.278 38 T C 1.048 175.738 174.700 -0.016 0.000 0.982 38 T CA -0.692 61.390 62.100 -0.029 0.000 0.989 38 T CB 1.217 70.069 68.868 -0.026 0.000 1.058 38 T HN 0.452 nan 8.240 nan 0.000 0.529 39 E N 0.892 121.085 120.200 -0.012 0.000 2.160 39 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 39 E C 1.912 178.510 176.600 -0.005 0.000 0.991 39 E CA 1.301 57.697 56.400 -0.007 0.000 0.810 39 E CB -0.050 29.647 29.700 -0.006 0.000 0.742 39 E HN 0.901 nan 8.360 nan 0.000 0.466 40 E N -0.135 120.063 120.200 -0.005 0.000 2.476 40 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 40 E C 0.984 177.581 176.600 -0.004 0.000 1.064 40 E CA 0.737 57.136 56.400 -0.002 0.000 0.866 40 E CB 0.170 29.870 29.700 0.001 0.000 0.952 40 E HN 0.195 nan 8.360 nan 0.000 0.492 41 G N 1.158 109.952 108.800 -0.009 0.000 2.157 41 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 41 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 41 G C 0.074 174.962 174.900 -0.021 0.000 0.982 41 G CA 0.182 45.275 45.100 -0.011 0.000 0.650 41 G HN 0.267 nan 8.290 nan 0.000 0.527 42 L N 0.744 121.950 121.223 -0.028 0.000 2.371 42 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 42 L C 0.459 177.279 176.870 -0.082 0.000 1.124 42 L CA -0.815 53.999 54.840 -0.043 0.000 0.816 42 L CB 1.562 43.599 42.059 -0.036 0.000 1.129 42 L HN -0.044 nan 8.230 nan 0.000 0.448 43 V N 1.869 121.710 119.914 -0.121 0.000 2.448 43 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 43 V C 0.417 176.292 176.094 -0.365 0.000 1.025 43 V CA -0.538 61.616 62.300 -0.243 0.000 0.859 43 V CB 1.535 33.193 31.823 -0.274 0.000 0.988 43 V HN 0.872 nan 8.190 nan 0.000 0.431 44 G N 3.139 111.708 108.800 -0.384 0.000 2.415 44 G HA2 0.644 4.604 3.960 -0.000 0.000 0.327 44 G HA3 0.644 4.604 3.960 -0.000 0.000 0.327 44 G C -1.624 173.020 174.900 -0.427 0.000 1.182 44 G CA -0.368 44.535 45.100 -0.328 0.000 0.924 44 G HN 0.462 nan 8.290 nan 0.000 0.470 45 Y N 0.487 120.778 120.300 -0.015 0.000 2.341 45 Y HA 0.663 5.212 4.550 -0.000 0.000 0.337 45 Y C 0.845 176.734 175.900 -0.018 0.000 1.014 45 Y CA -0.341 57.749 58.100 -0.017 0.000 1.111 45 Y CB 2.490 40.940 38.460 -0.016 0.000 1.194 45 Y HN 0.747 nan 8.280 nan 0.000 0.462 46 G N 1.329 110.208 108.800 0.133 0.000 2.658 46 G HA2 0.649 4.609 3.960 -0.000 0.000 0.292 46 G HA3 0.649 4.609 3.960 -0.000 0.000 0.292 46 G C -1.864 173.065 174.900 0.049 0.000 1.320 46 G CA -0.833 44.309 45.100 0.070 0.000 0.933 46 G HN 0.523 nan 8.290 nan 0.000 0.476 47 E N -1.009 119.203 120.200 0.020 0.000 2.352 47 E HA 0.567 4.917 4.350 -0.000 0.000 0.280 47 E C -0.914 175.676 176.600 -0.017 0.000 0.930 47 E CA -1.020 55.378 56.400 -0.005 0.000 0.765 47 E CB 1.987 31.675 29.700 -0.019 0.000 1.219 47 E HN 0.807 nan 8.360 nan 0.000 0.434 48 G N 1.677 110.459 108.800 -0.029 0.000 2.744 48 G HA2 0.539 4.499 3.960 -0.000 0.000 0.309 48 G HA3 0.539 4.499 3.960 -0.000 0.000 0.309 48 G C -0.433 174.432 174.900 -0.058 0.000 1.328 48 G CA -0.502 44.574 45.100 -0.041 0.000 1.034 48 G HN 0.423 nan 8.290 nan 0.000 0.518 49 G N 4.007 112.766 108.800 -0.070 0.000 2.741 49 G HA2 0.613 4.573 3.960 -0.000 0.000 0.336 49 G HA3 0.613 4.573 3.960 -0.000 0.000 0.336 49 G C -2.358 172.484 174.900 -0.097 0.000 1.022 49 G CA -1.265 43.785 45.100 -0.083 0.000 1.193 49 G HN 0.434 nan 8.290 nan 0.000 0.455 50 P HA 0.275 nan 4.420 nan 0.000 0.285 50 P C 0.178 177.397 177.300 -0.136 0.000 1.259 50 P CA -0.128 62.911 63.100 -0.102 0.000 0.794 50 P CB 2.158 33.808 31.700 -0.083 0.000 0.940 51 G N 3.223 111.936 108.800 -0.144 0.000 2.603 51 G HA2 0.216 4.176 3.960 -0.000 0.000 0.324 51 G HA3 0.216 4.176 3.960 -0.000 0.000 0.324 51 G C 0.851 175.628 174.900 -0.205 0.000 1.178 51 G CA -0.578 44.373 45.100 -0.249 0.000 1.023 51 G HN 0.570 nan 8.290 nan 0.000 0.482 52 I N 2.489 122.911 120.570 -0.247 0.000 2.248 52 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 52 I C 1.978 178.110 176.117 0.024 0.000 1.107 52 I CA 1.376 62.617 61.300 -0.100 0.000 1.373 52 I CB 0.130 38.075 38.000 -0.092 0.000 1.055 52 I HN 0.671 nan 8.210 nan 0.000 0.418 53 F N -1.542 118.434 119.950 0.043 0.000 2.692 53 F HA 0.251 4.778 4.527 -0.000 0.000 0.303 53 F C 1.347 177.186 175.800 0.066 0.000 1.114 53 F CA -0.413 57.616 58.000 0.048 0.000 1.361 53 F CB -0.131 38.888 39.000 0.032 0.000 1.063 53 F HN -0.109 nan 8.300 nan 0.000 0.550 54 I N 0.751 121.532 120.570 0.351 0.000 3.570 54 I HA -0.008 4.162 4.170 -0.000 0.000 0.270 54 I C 2.146 178.466 176.117 0.338 0.000 1.162 54 I CA 1.453 62.937 61.300 0.305 0.000 1.413 54 I CB -0.439 37.664 38.000 0.172 0.000 1.437 54 I HN 0.288 nan 8.210 nan 0.000 0.457 55 T N -2.857 111.858 114.554 0.268 0.000 2.975 55 T HA 0.359 4.709 4.350 -0.000 0.000 0.257 55 T C 1.486 176.406 174.700 0.367 0.000 1.003 55 T CA 0.725 63.082 62.100 0.429 0.000 0.932 55 T CB 0.947 70.022 68.868 0.345 0.000 1.087 55 T HN 0.437 nan 8.240 nan 0.000 0.512 56 G N 1.388 110.317 108.800 0.215 0.000 2.199 56 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 56 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 56 G C -0.169 174.807 174.900 0.126 0.000 0.982 56 G CA 0.126 45.324 45.100 0.164 0.000 0.632 56 G HN 0.671 nan 8.290 nan 0.000 0.529 57 E N 1.210 121.476 120.200 0.111 0.000 2.390 57 E HA 0.500 4.850 4.350 -0.000 0.000 0.261 57 E C 0.814 177.408 176.600 -0.009 0.000 1.076 57 E CA 0.590 57.014 56.400 0.040 0.000 0.905 57 E CB 0.715 30.409 29.700 -0.011 0.000 0.984 57 E HN 0.459 nan 8.360 nan 0.000 0.427 58 T N -0.785 113.757 114.554 -0.020 0.000 2.926 58 T HA 0.248 4.598 4.350 -0.000 0.000 0.289 58 T C 0.578 175.249 174.700 -0.048 0.000 1.054 58 T CA -0.914 61.164 62.100 -0.036 0.000 1.015 58 T CB 1.092 69.946 68.868 -0.023 0.000 1.167 58 T HN 0.326 nan 8.240 nan 0.000 0.526 59 L N 1.487 122.679 121.223 -0.051 0.000 2.056 59 L HA 0.203 4.543 4.340 -0.000 0.000 0.207 59 L C 2.724 179.564 176.870 -0.050 0.000 1.078 59 L CA 2.396 57.204 54.840 -0.053 0.000 0.749 59 L CB -1.376 40.654 42.059 -0.049 0.000 0.901 59 L HN 0.934 nan 8.230 nan 0.000 0.433 60 A N -0.423 122.372 122.820 -0.042 0.000 1.877 60 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 60 A C 2.338 179.891 177.584 -0.052 0.000 1.186 60 A CA 1.649 53.661 52.037 -0.041 0.000 0.620 60 A CB -1.635 17.347 19.000 -0.031 0.000 0.822 60 A HN 0.525 nan 8.150 nan 0.000 0.443 61 G N -1.411 107.360 108.800 -0.049 0.000 2.408 61 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.217 61 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.217 61 G C 1.552 176.395 174.900 -0.095 0.000 1.150 61 G CA 1.613 46.677 45.100 -0.061 0.000 0.776 61 G HN 0.437 nan 8.290 nan 0.000 0.542 62 T N 1.311 115.812 114.554 -0.089 0.000 2.777 62 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 62 T C 2.425 177.053 174.700 -0.121 0.000 1.040 62 T CA 0.771 62.806 62.100 -0.109 0.000 1.141 62 T CB -0.186 68.631 68.868 -0.084 0.000 0.868 62 T HN 0.136 nan 8.240 nan 0.000 0.444 63 L N 0.691 121.859 121.223 -0.092 0.000 2.046 63 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 63 L C 2.804 179.608 176.870 -0.110 0.000 1.077 63 L CA 1.507 56.296 54.840 -0.085 0.000 0.747 63 L CB -0.444 41.579 42.059 -0.060 0.000 0.896 63 L HN 0.361 nan 8.230 nan 0.000 0.432 64 E N -0.462 119.669 120.200 -0.114 0.000 2.106 64 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 64 E C 1.937 178.414 176.600 -0.205 0.000 0.984 64 E CA 1.668 57.992 56.400 -0.127 0.000 0.806 64 E CB 0.121 29.762 29.700 -0.099 0.000 0.750 64 E HN 0.372 nan 8.360 nan 0.000 0.458 65 T N 1.142 115.528 114.554 -0.279 0.000 2.777 65 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 65 T C 1.878 176.139 174.700 -0.732 0.000 1.040 65 T CA 1.097 62.882 62.100 -0.525 0.000 1.141 65 T CB -0.145 68.397 68.868 -0.543 0.000 0.868 65 T HN 0.178 nan 8.240 nan 0.000 0.444 66 I N 1.034 121.348 120.570 -0.427 0.000 2.208 66 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 66 I C 2.671 178.694 176.117 -0.156 0.000 1.097 66 I CA 1.420 62.575 61.300 -0.242 0.000 1.363 66 I CB -0.348 37.596 38.000 -0.094 0.000 1.051 66 I HN 0.335 nan 8.210 nan 0.000 0.413 67 E N 0.629 120.738 120.200 -0.152 0.000 2.077 67 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 67 E C 2.352 178.898 176.600 -0.091 0.000 0.989 67 E CA 1.165 57.505 56.400 -0.101 0.000 0.800 67 E CB -0.126 29.519 29.700 -0.092 0.000 0.746 67 E HN 0.488 nan 8.360 nan 0.000 0.452 68 L N 0.123 121.255 121.223 -0.152 0.000 2.046 68 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 68 L C 2.409 179.306 176.870 0.045 0.000 1.077 68 L CA 0.922 55.705 54.840 -0.095 0.000 0.747 68 L CB -0.424 41.538 42.059 -0.162 0.000 0.896 68 L HN 0.111 nan 8.230 nan 0.000 0.432 69 F N 0.416 120.333 119.950 -0.056 0.000 2.134 69 F HA -0.079 4.447 4.527 -0.000 0.000 0.299 69 F C 2.551 178.308 175.800 -0.072 0.000 1.097 69 F CA 0.902 58.862 58.000 -0.067 0.000 1.264 69 F CB -1.745 37.208 39.000 -0.079 0.000 1.001 69 F HN 0.018 nan 8.300 nan 0.000 0.479 70 G N -0.435 108.436 108.800 0.119 0.000 2.491 70 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 70 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 70 G C 1.662 176.560 174.900 -0.004 0.000 1.180 70 G CA 0.631 45.745 45.100 0.023 0.000 0.774 70 G HN 0.245 nan 8.290 nan 0.000 0.562 71 Q N 0.286 120.082 119.800 -0.006 0.000 2.084 71 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 71 Q C 2.981 178.979 176.000 -0.003 0.000 0.978 71 Q CA 1.478 57.272 55.803 -0.016 0.000 0.844 71 Q CB -0.527 28.200 28.738 -0.017 0.000 0.898 71 Q HN 0.478 nan 8.270 nan 0.000 0.426 72 A N 1.075 123.908 122.820 0.022 0.000 2.014 72 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 72 A C 1.887 179.464 177.584 -0.012 0.000 1.163 72 A CA 1.012 53.058 52.037 0.015 0.000 0.652 72 A CB -0.523 18.505 19.000 0.046 0.000 0.808 72 A HN 0.495 nan 8.150 nan 0.000 0.449 73 I N -3.350 117.208 120.570 -0.020 0.000 3.883 73 I HA 0.346 4.516 4.170 -0.000 0.000 0.326 73 I C -0.040 176.051 176.117 -0.044 0.000 1.283 73 I CA -0.416 60.856 61.300 -0.048 0.000 1.161 73 I CB -0.096 37.859 38.000 -0.075 0.000 1.012 73 I HN -0.021 nan 8.210 nan 0.000 0.421 74 I N 3.356 123.905 120.570 -0.034 0.000 2.683 74 I HA 0.158 4.327 4.170 -0.000 0.000 0.286 74 I C 1.507 177.606 176.117 -0.030 0.000 1.175 74 I CA 1.375 62.655 61.300 -0.034 0.000 1.429 74 I CB 0.545 38.525 38.000 -0.032 0.000 1.371 74 I HN 0.560 nan 8.210 nan 0.000 0.569 75 G N 5.240 114.023 108.800 -0.028 0.000 2.258 75 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.233 75 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.233 75 G C 0.234 175.120 174.900 -0.024 0.000 1.006 75 G CA -0.477 44.609 45.100 -0.023 0.000 0.620 75 G HN 0.449 nan 8.290 nan 0.000 0.511 76 L N 0.862 122.066 121.223 -0.032 0.000 2.453 76 L HA 0.328 4.667 4.340 -0.000 0.000 0.261 76 L C 0.859 177.710 176.870 -0.031 0.000 1.179 76 L CA -0.471 54.348 54.840 -0.035 0.000 0.813 76 L CB 0.767 42.794 42.059 -0.052 0.000 1.110 76 L HN 0.366 nan 8.230 nan 0.000 0.466 77 N N 1.472 120.162 118.700 -0.016 0.000 2.444 77 N HA 0.159 4.899 4.740 -0.000 0.000 0.271 77 N C -1.921 173.579 175.510 -0.017 0.000 1.069 77 N CA -1.453 51.603 53.050 0.011 0.000 0.965 77 N CB 1.599 40.115 38.487 0.050 0.000 1.092 77 N HN 0.289 nan 8.380 nan 0.000 0.476 78 P HA -0.124 nan 4.420 nan 0.000 0.218 78 P C 0.382 177.531 177.300 -0.253 0.000 1.146 78 P CA 1.097 64.086 63.100 -0.186 0.000 0.813 78 P CB 0.078 31.630 31.700 -0.248 0.000 0.778 79 F N -1.242 118.630 119.950 -0.129 0.000 2.407 79 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 79 F C 1.396 177.130 175.800 -0.110 0.000 1.097 79 F CA 0.809 58.731 58.000 -0.130 0.000 1.422 79 F CB -0.664 38.282 39.000 -0.089 0.000 1.067 79 F HN -0.125 nan 8.300 nan 0.000 0.539 80 N N 1.219 119.950 118.700 0.053 0.000 3.303 80 N HA -0.022 4.718 4.740 -0.000 0.000 0.304 80 N C 1.358 176.832 175.510 -0.059 0.000 1.302 80 N CA 0.104 53.160 53.050 0.009 0.000 1.213 80 N CB -0.457 38.029 38.487 -0.002 0.000 1.481 80 N HN 0.183 nan 8.380 nan 0.000 0.546 81 I N 0.557 121.079 120.570 -0.080 0.000 2.454 81 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 81 I C 1.810 177.821 176.117 -0.177 0.000 1.156 81 I CA 1.304 62.524 61.300 -0.132 0.000 1.433 81 I CB 0.180 38.122 38.000 -0.097 0.000 1.082 81 I HN 0.269 nan 8.210 nan 0.000 0.432 82 E N 0.566 120.700 120.200 -0.109 0.000 2.051 82 E HA -0.297 4.052 4.350 -0.000 0.000 0.192 82 E C 2.150 178.703 176.600 -0.078 0.000 0.991 82 E CA 1.410 57.754 56.400 -0.093 0.000 0.799 82 E CB -0.340 29.374 29.700 0.023 0.000 0.748 82 E HN 0.545 nan 8.360 nan 0.000 0.449 83 K N 0.546 120.908 120.400 -0.064 0.000 2.103 83 K HA -0.085 4.234 4.320 -0.000 0.000 0.204 83 K C 2.163 178.696 176.600 -0.112 0.000 1.052 83 K CA 0.501 56.748 56.287 -0.066 0.000 0.945 83 K CB 0.061 32.531 32.500 -0.050 0.000 0.722 83 K HN -0.036 nan 8.250 nan 0.000 0.443 84 I N 1.547 122.024 120.570 -0.155 0.000 2.151 84 I HA -0.306 3.863 4.170 -0.000 0.000 0.243 84 I C 2.320 178.231 176.117 -0.343 0.000 1.080 84 I CA 1.697 62.847 61.300 -0.250 0.000 1.339 84 I CB -1.454 36.371 38.000 -0.291 0.000 1.039 84 I HN 0.360 nan 8.210 nan 0.000 0.409 85 H N 0.189 119.103 119.070 -0.260 0.000 2.428 85 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 85 H C 2.140 177.355 175.328 -0.188 0.000 1.062 85 H CA 1.318 57.216 56.048 -0.250 0.000 1.350 85 H CB 0.132 29.733 29.762 -0.269 0.000 1.403 85 H HN 0.471 nan 8.280 nan 0.000 0.533 86 E N 0.874 121.048 120.200 -0.044 0.000 2.077 86 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 86 E C 2.204 178.764 176.600 -0.066 0.000 0.989 86 E CA 1.012 57.391 56.400 -0.035 0.000 0.800 86 E CB 0.236 29.919 29.700 -0.028 0.000 0.746 86 E HN 0.107 nan 8.360 nan 0.000 0.452 87 V N 1.016 120.861 119.914 -0.114 0.000 2.427 87 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 87 V C 2.405 178.394 176.094 -0.177 0.000 1.051 87 V CA 1.738 63.967 62.300 -0.118 0.000 1.048 87 V CB -0.362 31.384 31.823 -0.127 0.000 0.666 87 V HN 0.371 nan 8.190 nan 0.000 0.456 88 M N -0.482 118.894 119.600 -0.373 0.000 2.200 88 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 88 M C 1.846 178.008 176.300 -0.229 0.000 1.066 88 M CA 1.487 56.368 55.300 -0.698 0.000 1.127 88 M CB -0.539 31.295 32.600 -1.275 0.000 1.379 88 M HN 0.295 nan 8.290 nan 0.000 0.420 89 D N 0.394 120.727 120.400 -0.111 0.000 2.178 89 D HA -0.109 4.530 4.640 -0.000 0.000 0.202 89 D C 1.992 178.319 176.300 0.046 0.000 0.974 89 D CA 0.922 54.930 54.000 0.014 0.000 0.841 89 D CB -0.201 40.618 40.800 0.032 0.000 0.953 89 D HN 0.104 nan 8.370 nan 0.000 0.478 90 K N 0.601 121.015 120.400 0.023 0.000 2.103 90 K HA 0.017 4.336 4.320 -0.000 0.000 0.204 90 K C 2.192 178.836 176.600 0.073 0.000 1.052 90 K CA 0.308 56.619 56.287 0.040 0.000 0.945 90 K CB -0.218 32.294 32.500 0.020 0.000 0.722 90 K HN 0.232 nan 8.250 nan 0.000 0.443 91 I N -0.218 120.419 120.570 0.111 0.000 2.233 91 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 91 I C 1.100 177.325 176.117 0.181 0.000 1.093 91 I CA 0.567 61.969 61.300 0.170 0.000 1.380 91 I CB 0.047 38.230 38.000 0.306 0.000 1.067 91 I HN -0.077 nan 8.210 nan 0.000 0.413 92 S N -0.445 115.404 115.700 0.249 0.000 2.561 92 S HA 0.600 5.070 4.470 -0.000 0.000 0.303 92 S C 0.560 175.271 174.600 0.184 0.000 1.110 92 S CA -0.394 57.931 58.200 0.207 0.000 1.034 92 S CB 1.763 65.113 63.200 0.250 0.000 1.010 92 S HN 0.218 nan 8.310 nan 0.000 0.482 93 A N 3.866 126.785 122.820 0.165 0.000 2.014 93 A HA 0.314 4.634 4.320 -0.000 0.000 0.218 93 A C 0.284 178.043 177.584 0.292 0.000 1.163 93 A CA 0.781 52.927 52.037 0.182 0.000 0.652 93 A CB -0.188 18.899 19.000 0.145 0.000 0.808 93 A HN 0.942 nan 8.150 nan 0.000 0.449 94 F N -2.046 117.964 119.950 0.100 0.000 2.749 94 F HA 0.513 5.040 4.527 -0.000 0.000 0.339 94 F C -0.564 175.304 175.800 0.114 0.000 1.211 94 F CA -0.297 57.768 58.000 0.109 0.000 1.099 94 F CB 1.186 40.239 39.000 0.089 0.000 1.359 94 F HN 0.175 nan 8.300 nan 0.000 0.549 95 A N 7.256 129.774 122.820 -0.504 0.000 2.942 95 A HA 0.336 4.656 4.320 -0.000 0.000 0.229 95 A C -2.469 174.951 177.584 -0.275 0.000 1.326 95 A CA -0.440 51.370 52.037 -0.378 0.000 1.355 95 A CB -0.403 18.540 19.000 -0.094 0.000 1.231 95 A HN 0.397 nan 8.150 nan 0.000 0.851 96 P HA -0.249 nan 4.420 nan 0.000 0.216 96 P C 1.592 178.829 177.300 -0.104 0.000 1.150 96 P CA 2.167 65.148 63.100 -0.200 0.000 0.843 96 P CB 0.196 31.768 31.700 -0.213 0.000 0.787 97 A N 0.474 123.215 122.820 -0.132 0.000 1.898 97 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 97 A C 2.544 180.111 177.584 -0.028 0.000 1.181 97 A CA 2.125 54.114 52.037 -0.080 0.000 0.620 97 A CB -1.490 17.455 19.000 -0.093 0.000 0.819 97 A HN 0.246 nan 8.150 nan 0.000 0.442 98 A N -0.138 122.674 122.820 -0.014 0.000 1.898 98 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 98 A C 2.103 179.827 177.584 0.234 0.000 1.181 98 A CA 1.699 53.769 52.037 0.055 0.000 0.620 98 A CB -0.390 18.573 19.000 -0.063 0.000 0.819 98 A HN 0.532 nan 8.150 nan 0.000 0.442 99 K N -0.195 120.360 120.400 0.258 0.000 2.097 99 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 99 K C 2.277 178.907 176.600 0.050 0.000 1.050 99 K CA 1.037 57.402 56.287 0.130 0.000 0.938 99 K CB -0.309 32.228 32.500 0.061 0.000 0.718 99 K HN 0.424 nan 8.250 nan 0.000 0.442 100 A N 1.721 124.574 122.820 0.055 0.000 1.933 100 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 100 A C 2.391 179.995 177.584 0.034 0.000 1.175 100 A CA 1.787 53.849 52.037 0.042 0.000 0.628 100 A CB -0.684 18.318 19.000 0.004 0.000 0.814 100 A HN 0.326 nan 8.150 nan 0.000 0.444 101 A N 0.360 123.201 122.820 0.034 0.000 1.873 101 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 101 A C 2.047 179.651 177.584 0.032 0.000 1.193 101 A CA 1.816 53.872 52.037 0.031 0.000 0.629 101 A CB -0.587 18.432 19.000 0.032 0.000 0.826 101 A HN 0.417 nan 8.150 nan 0.000 0.447 102 I N 0.396 120.988 120.570 0.036 0.000 2.142 102 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 102 I C 2.366 178.461 176.117 -0.037 0.000 1.078 102 I CA 1.930 63.222 61.300 -0.013 0.000 1.343 102 I CB -1.513 36.456 38.000 -0.052 0.000 1.046 102 I HN 0.508 nan 8.210 nan 0.000 0.405 103 D N 1.398 121.778 120.400 -0.032 0.000 2.103 103 D HA -0.228 4.412 4.640 -0.000 0.000 0.190 103 D C 2.309 178.736 176.300 0.211 0.000 0.997 103 D CA 1.723 55.777 54.000 0.091 0.000 0.833 103 D CB -0.023 40.892 40.800 0.192 0.000 0.961 103 D HN 0.321 nan 8.370 nan 0.000 0.447 104 I N 1.135 121.778 120.570 0.122 0.000 2.208 104 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 104 I C 2.759 178.934 176.117 0.096 0.000 1.097 104 I CA 1.206 62.568 61.300 0.104 0.000 1.363 104 I CB -0.316 37.709 38.000 0.041 0.000 1.051 104 I HN 0.039 nan 8.210 nan 0.000 0.413 105 A N -0.259 122.589 122.820 0.046 0.000 1.933 105 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 105 A C 2.428 179.982 177.584 -0.050 0.000 1.175 105 A CA 1.766 53.800 52.037 -0.005 0.000 0.628 105 A CB -1.173 17.808 19.000 -0.030 0.000 0.814 105 A HN 0.548 nan 8.150 nan 0.000 0.444 106 C N -2.257 117.009 119.300 -0.056 0.000 2.440 106 C HA -0.076 4.384 4.460 -0.000 0.000 0.278 106 C C 2.451 177.285 174.990 -0.260 0.000 1.295 106 C CA 0.832 59.745 59.018 -0.175 0.000 1.738 106 C CB -1.621 25.993 27.740 -0.210 0.000 1.987 106 C HN 0.707 nan 8.230 nan 0.000 0.492 107 Y N 0.670 120.885 120.300 -0.142 0.000 2.373 107 Y HA -0.116 4.434 4.550 -0.000 0.000 0.293 107 Y C 2.225 178.029 175.900 -0.161 0.000 1.129 107 Y CA 1.799 59.809 58.100 -0.150 0.000 1.226 107 Y CB -0.418 37.994 38.460 -0.080 0.000 1.000 107 Y HN 0.308 nan 8.280 nan 0.000 0.549 108 D N 0.022 120.421 120.400 -0.001 0.000 2.097 108 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 108 D C 2.093 178.335 176.300 -0.097 0.000 0.984 108 D CA 1.245 55.221 54.000 -0.040 0.000 0.826 108 D CB -0.244 40.549 40.800 -0.012 0.000 0.973 108 D HN 0.243 nan 8.370 nan 0.000 0.460 109 L N -0.280 120.856 121.223 -0.146 0.000 2.042 109 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 109 L C 2.754 179.481 176.870 -0.239 0.000 1.076 109 L CA 0.906 55.642 54.840 -0.173 0.000 0.749 109 L CB -0.377 41.569 42.059 -0.189 0.000 0.893 109 L HN 0.155 nan 8.230 nan 0.000 0.432 110 M N -0.579 118.757 119.600 -0.440 0.000 2.065 110 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 110 M C 2.293 178.464 176.300 -0.215 0.000 1.069 110 M CA 2.122 56.984 55.300 -0.731 0.000 1.110 110 M CB -0.980 31.019 32.600 -1.001 0.000 1.328 110 M HN 0.377 nan 8.290 nan 0.000 0.405 111 G N -0.648 108.072 108.800 -0.133 0.000 2.479 111 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 111 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 111 G C 1.391 176.283 174.900 -0.013 0.000 1.115 111 G CA 0.597 45.673 45.100 -0.039 0.000 0.757 111 G HN 0.536 nan 8.290 nan 0.000 0.560 112 Q N -0.750 119.034 119.800 -0.027 0.000 2.302 112 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 112 Q C 2.381 178.398 176.000 0.029 0.000 0.936 112 Q CA 0.818 56.620 55.803 -0.002 0.000 0.886 112 Q CB 0.077 28.805 28.738 -0.018 0.000 0.986 112 Q HN 0.319 nan 8.270 nan 0.000 0.487 113 K N 1.411 121.849 120.400 0.063 0.000 2.031 113 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 113 K C 1.647 178.323 176.600 0.127 0.000 1.049 113 K CA 1.375 57.739 56.287 0.129 0.000 0.939 113 K CB -0.277 32.399 32.500 0.292 0.000 0.717 113 K HN 0.109 nan 8.250 nan 0.000 0.438 114 A N 0.462 123.384 122.820 0.171 0.000 2.206 114 A HA -0.010 4.310 4.320 -0.000 0.000 0.211 114 A C -0.214 177.404 177.584 0.056 0.000 1.158 114 A CA 0.652 52.759 52.037 0.117 0.000 0.761 114 A CB -0.464 18.635 19.000 0.165 0.000 0.801 114 A HN 0.504 nan 8.150 nan 0.000 0.473 115 Q N -1.645 118.182 119.800 0.045 0.000 2.453 115 Q HA -0.171 4.169 4.340 -0.000 0.000 0.330 115 Q C -1.169 174.837 176.000 0.009 0.000 1.417 115 Q CA 0.682 56.499 55.803 0.023 0.000 0.902 115 Q CB -1.745 27.006 28.738 0.020 0.000 1.154 115 Q HN 0.644 nan 8.270 nan 0.000 0.395 116 L N -0.887 120.334 121.223 -0.003 0.000 2.465 116 L HA 0.574 4.914 4.340 -0.000 0.000 0.257 116 L C -2.452 174.371 176.870 -0.078 0.000 0.988 116 L CA -2.361 52.454 54.840 -0.042 0.000 0.827 116 L CB 2.336 44.372 42.059 -0.038 0.000 1.397 116 L HN -0.140 nan 8.230 nan 0.000 0.410 117 P HA 0.060 nan 4.420 nan 0.000 0.271 117 P C 0.425 177.606 177.300 -0.198 0.000 1.216 117 P CA -0.351 62.643 63.100 -0.176 0.000 0.771 117 P CB 0.743 32.195 31.700 -0.413 0.000 0.864 118 L N 5.184 126.362 121.223 -0.075 0.000 2.089 118 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 118 L C 1.993 178.960 176.870 0.162 0.000 1.079 118 L CA 2.065 56.890 54.840 -0.024 0.000 0.758 118 L CB -1.603 40.295 42.059 -0.269 0.000 0.891 118 L HN 0.480 nan 8.230 nan 0.000 0.433 119 Y N -1.905 118.668 120.300 0.456 0.000 2.403 119 Y HA -0.138 4.411 4.550 -0.000 0.000 0.291 119 Y C 2.158 178.151 175.900 0.155 0.000 1.143 119 Y CA 1.135 59.389 58.100 0.256 0.000 1.257 119 Y CB -1.097 37.444 38.460 0.134 0.000 0.984 119 Y HN 0.269 nan 8.280 nan 0.000 0.550 120 Q N 0.230 119.882 119.800 -0.245 0.000 2.137 120 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 120 Q C 2.094 178.112 176.000 0.029 0.000 0.960 120 Q CA 0.963 56.708 55.803 -0.097 0.000 0.847 120 Q CB -0.247 28.350 28.738 -0.235 0.000 0.915 120 Q HN 0.504 nan 8.270 nan 0.000 0.448 121 L N 0.143 121.386 121.223 0.033 0.000 2.291 121 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 121 L C 1.945 178.895 176.870 0.132 0.000 1.120 121 L CA 1.144 56.040 54.840 0.093 0.000 0.799 121 L CB -0.330 41.795 42.059 0.110 0.000 0.925 121 L HN 0.117 nan 8.230 nan 0.000 0.446 122 L N -1.876 119.433 121.223 0.143 0.000 2.607 122 L HA 0.317 4.657 4.340 -0.000 0.000 0.228 122 L C 1.417 178.361 176.870 0.123 0.000 1.123 122 L CA 0.656 55.578 54.840 0.137 0.000 0.890 122 L CB -0.105 42.031 42.059 0.127 0.000 1.103 122 L HN 0.425 nan 8.230 nan 0.000 0.468 123 G N -1.459 107.423 108.800 0.137 0.000 3.211 123 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.202 123 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.202 123 G C 0.928 175.938 174.900 0.183 0.000 1.035 123 G CA -0.143 45.038 45.100 0.136 0.000 0.846 123 G HN 0.251 nan 8.290 nan 0.000 0.464 124 G N -0.197 108.745 108.800 0.236 0.000 2.258 124 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.274 124 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.274 124 G C 0.816 175.864 174.900 0.248 0.000 1.021 124 G CA 1.311 46.581 45.100 0.284 0.000 0.798 124 G HN 1.409 nan 8.290 nan 0.000 0.507 125 Y N 0.390 120.746 120.300 0.094 0.000 2.421 125 Y HA 0.285 4.835 4.550 -0.000 0.000 0.292 125 Y C 1.184 177.092 175.900 0.014 0.000 1.136 125 Y CA 1.543 59.671 58.100 0.046 0.000 1.255 125 Y CB 0.457 38.934 38.460 0.029 0.000 0.991 125 Y HN 0.377 nan 8.280 nan 0.000 0.552 126 D N -2.117 118.298 120.400 0.024 0.000 2.692 126 D HA 0.104 4.743 4.640 -0.000 0.000 0.290 126 D C -1.027 175.061 176.300 -0.354 0.000 1.281 126 D CA -0.205 53.707 54.000 -0.147 0.000 0.804 126 D CB 0.530 41.263 40.800 -0.111 0.000 1.331 126 D HN 0.113 nan 8.370 nan 0.000 0.432 127 N N -0.211 118.190 118.700 -0.499 0.000 2.241 127 N HA 0.140 4.880 4.740 -0.000 0.000 0.238 127 N C -0.487 174.672 175.510 -0.585 0.000 1.244 127 N CA -0.212 52.249 53.050 -0.981 0.000 0.880 127 N CB 0.436 38.505 38.487 -0.697 0.000 1.179 127 N HN 0.496 nan 8.380 nan 0.000 0.513 128 Q N -1.760 117.826 119.800 -0.357 0.000 2.590 128 Q HA 0.682 5.022 4.340 -0.000 0.000 0.295 128 Q C -1.889 174.028 176.000 -0.138 0.000 0.973 128 Q CA -1.207 54.465 55.803 -0.218 0.000 0.768 128 Q CB 2.087 30.735 28.738 -0.150 0.000 1.479 128 Q HN -0.069 nan 8.270 nan 0.000 0.419 129 V N 1.085 120.948 119.914 -0.084 0.000 2.932 129 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 129 V C -1.755 174.339 176.094 0.001 0.000 1.147 129 V CA -0.720 61.560 62.300 -0.034 0.000 0.951 129 V CB 2.032 33.839 31.823 -0.026 0.000 1.031 129 V HN 0.840 nan 8.190 nan 0.000 0.426 130 I N 5.207 125.790 120.570 0.021 0.000 2.336 130 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 130 I C 0.194 176.365 176.117 0.090 0.000 0.991 130 I CA -0.183 61.145 61.300 0.047 0.000 1.227 130 I CB 1.858 39.877 38.000 0.033 0.000 1.366 130 I HN 0.746 nan 8.210 nan 0.000 0.466 131 T N 3.625 118.275 114.554 0.159 0.000 2.912 131 T HA 0.372 4.722 4.350 -0.000 0.000 0.288 131 T C -0.481 174.403 174.700 0.307 0.000 1.030 131 T CA -0.731 61.490 62.100 0.202 0.000 1.020 131 T CB 1.298 70.296 68.868 0.216 0.000 1.056 131 T HN 0.694 nan 8.240 nan 0.000 0.480 132 D N 2.181 122.707 120.400 0.211 0.000 2.440 132 D HA 0.463 5.103 4.640 -0.000 0.000 0.269 132 D C -0.268 176.086 176.300 0.090 0.000 1.249 132 D CA -0.526 53.585 54.000 0.186 0.000 1.055 132 D CB 0.463 41.316 40.800 0.088 0.000 1.104 132 D HN 0.587 nan 8.370 nan 0.000 0.561 133 I N -1.587 118.895 120.570 -0.148 0.000 2.619 133 I HA 0.314 4.483 4.170 -0.000 0.000 0.292 133 I C -1.081 174.961 176.117 -0.125 0.000 1.100 133 I CA -0.436 60.688 61.300 -0.293 0.000 1.043 133 I CB 2.066 39.457 38.000 -1.015 0.000 1.239 133 I HN 0.334 nan 8.210 nan 0.000 0.420 134 T N 7.437 121.974 114.554 -0.028 0.000 2.909 134 T HA 0.534 4.884 4.350 -0.000 0.000 0.286 134 T C -0.394 174.440 174.700 0.224 0.000 1.002 134 T CA -0.347 61.797 62.100 0.073 0.000 1.074 134 T CB 0.922 69.829 68.868 0.065 0.000 0.984 134 T HN 0.326 nan 8.240 nan 0.000 0.495 135 L N 2.391 123.716 121.223 0.170 0.000 2.325 135 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 135 L C 1.054 177.945 176.870 0.035 0.000 1.004 135 L CA -1.013 53.880 54.840 0.088 0.000 0.823 135 L CB 1.348 43.408 42.059 0.002 0.000 1.236 135 L HN 0.740 nan 8.230 nan 0.000 0.415 136 G N 3.210 111.843 108.800 -0.277 0.000 2.569 136 G HA2 0.408 4.368 3.960 -0.000 0.000 0.249 136 G HA3 0.408 4.368 3.960 -0.000 0.000 0.249 136 G C 0.078 174.854 174.900 -0.208 0.000 1.216 136 G CA -0.644 44.245 45.100 -0.352 0.000 0.845 136 G HN 0.500 nan 8.290 nan 0.000 0.568 137 I N 1.232 121.727 120.570 -0.125 0.000 2.683 137 I HA 0.095 4.265 4.170 -0.000 0.000 0.286 137 I C 0.330 176.384 176.117 -0.106 0.000 1.175 137 I CA 0.792 62.038 61.300 -0.089 0.000 1.429 137 I CB 0.397 38.360 38.000 -0.062 0.000 1.371 137 I HN 0.401 nan 8.210 nan 0.000 0.569 138 D N 3.941 124.292 120.400 -0.081 0.000 2.792 138 D HA 0.132 4.772 4.640 -0.000 0.000 0.335 138 D C -1.019 175.250 176.300 -0.051 0.000 1.353 138 D CA -0.531 53.425 54.000 -0.074 0.000 0.839 138 D CB 1.423 42.165 40.800 -0.097 0.000 1.396 138 D HN 0.258 nan 8.370 nan 0.000 0.479 139 E N 0.876 121.049 120.200 -0.044 0.000 2.437 139 E HA 0.118 4.468 4.350 -0.000 0.000 0.263 139 E C -1.637 174.943 176.600 -0.034 0.000 1.030 139 E CA -1.032 55.348 56.400 -0.033 0.000 0.934 139 E CB 0.446 30.129 29.700 -0.029 0.000 0.943 139 E HN 0.170 nan 8.360 nan 0.000 0.444 140 P HA -0.222 nan 4.420 nan 0.000 0.215 140 P C 0.757 178.039 177.300 -0.030 0.000 1.163 140 P CA 1.856 64.938 63.100 -0.031 0.000 0.894 140 P CB 0.138 31.820 31.700 -0.030 0.000 0.791 141 N N -0.980 117.705 118.700 -0.025 0.000 2.223 141 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 141 N C 1.386 176.881 175.510 -0.025 0.000 1.016 141 N CA 1.112 54.149 53.050 -0.022 0.000 0.863 141 N CB -1.651 36.825 38.487 -0.017 0.000 0.983 141 N HN 0.021 nan 8.380 nan 0.000 0.429 142 V N 0.675 120.570 119.914 -0.031 0.000 2.358 142 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 142 V C 2.281 178.349 176.094 -0.043 0.000 1.047 142 V CA 1.502 63.780 62.300 -0.037 0.000 1.035 142 V CB -0.538 31.258 31.823 -0.044 0.000 0.658 142 V HN 0.330 nan 8.190 nan 0.000 0.452 143 M N -0.229 119.343 119.600 -0.046 0.000 2.200 143 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 143 M C 2.432 178.710 176.300 -0.035 0.000 1.066 143 M CA 1.788 57.059 55.300 -0.049 0.000 1.127 143 M CB -0.564 32.007 32.600 -0.049 0.000 1.379 143 M HN 0.378 nan 8.290 nan 0.000 0.420 144 A N 0.224 123.026 122.820 -0.030 0.000 1.883 144 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 144 A C 1.996 179.568 177.584 -0.019 0.000 1.186 144 A CA 2.182 54.204 52.037 -0.024 0.000 0.624 144 A CB -0.809 18.178 19.000 -0.022 0.000 0.822 144 A HN 0.475 nan 8.150 nan 0.000 0.444 145 Q N 0.141 119.929 119.800 -0.019 0.000 2.002 145 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 145 Q C 1.959 177.952 176.000 -0.012 0.000 0.988 145 Q CA 2.428 58.222 55.803 -0.014 0.000 0.843 145 Q CB -0.355 28.374 28.738 -0.016 0.000 0.908 145 Q HN 0.643 nan 8.270 nan 0.000 0.420 146 K N -0.253 120.135 120.400 -0.019 0.000 2.152 146 K HA -0.145 4.174 4.320 -0.000 0.000 0.206 146 K C 2.002 178.598 176.600 -0.007 0.000 1.048 146 K CA 0.966 57.244 56.287 -0.015 0.000 0.933 146 K CB -0.291 32.190 32.500 -0.032 0.000 0.721 146 K HN 0.340 nan 8.250 nan 0.000 0.447 147 A N 1.088 123.902 122.820 -0.010 0.000 1.877 147 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 147 A C 2.366 179.960 177.584 0.016 0.000 1.186 147 A CA 1.537 53.574 52.037 -0.001 0.000 0.620 147 A CB -0.671 18.325 19.000 -0.007 0.000 0.822 147 A HN 0.079 nan 8.150 nan 0.000 0.443 148 V N 0.156 120.077 119.914 0.010 0.000 2.490 148 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 148 V C 2.358 178.468 176.094 0.027 0.000 1.061 148 V CA 2.283 64.593 62.300 0.016 0.000 1.064 148 V CB -0.944 30.883 31.823 0.007 0.000 0.670 148 V HN 0.641 nan 8.190 nan 0.000 0.461 149 E N -0.001 120.213 120.200 0.024 0.000 2.051 149 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 149 E C 2.291 178.928 176.600 0.062 0.000 0.991 149 E CA 1.251 57.670 56.400 0.031 0.000 0.799 149 E CB -0.148 29.565 29.700 0.021 0.000 0.748 149 E HN 0.408 nan 8.360 nan 0.000 0.449 150 K N 0.341 120.785 120.400 0.074 0.000 2.057 150 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 150 K C 2.000 178.757 176.600 0.262 0.000 1.050 150 K CA 0.595 56.980 56.287 0.164 0.000 0.935 150 K CB -0.462 32.050 32.500 0.020 0.000 0.715 150 K HN -0.032 nan 8.250 nan 0.000 0.439 151 V N 1.334 121.338 119.914 0.150 0.000 2.490 151 V HA -0.241 3.878 4.120 -0.000 0.000 0.250 151 V C 2.276 178.413 176.094 0.072 0.000 1.061 151 V CA 1.626 64.000 62.300 0.123 0.000 1.064 151 V CB -0.379 31.486 31.823 0.071 0.000 0.670 151 V HN 0.349 nan 8.190 nan 0.000 0.461 152 K N 0.086 120.520 120.400 0.056 0.000 2.147 152 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 152 K C 1.868 178.470 176.600 0.004 0.000 1.049 152 K CA 1.310 57.611 56.287 0.023 0.000 0.936 152 K CB -0.147 32.366 32.500 0.021 0.000 0.722 152 K HN 0.432 nan 8.250 nan 0.000 0.446 153 L N -0.367 120.874 121.223 0.031 0.000 2.610 153 L HA 0.051 4.390 4.340 -0.000 0.000 0.232 153 L C 1.149 177.900 176.870 -0.199 0.000 1.149 153 L CA 0.685 55.502 54.840 -0.039 0.000 0.872 153 L CB 0.000 42.095 42.059 0.060 0.000 0.992 153 L HN 0.605 nan 8.230 nan 0.000 0.447 154 G N -0.901 107.812 108.800 -0.144 0.000 2.163 154 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.213 154 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.213 154 G C 0.007 174.750 174.900 -0.261 0.000 0.991 154 G CA -0.704 44.266 45.100 -0.217 0.000 0.653 154 G HN 0.123 nan 8.290 nan 0.000 0.518 155 F N 1.783 121.717 119.950 -0.028 0.000 2.472 155 F HA 0.468 4.995 4.527 -0.000 0.000 0.364 155 F C 1.127 176.929 175.800 0.004 0.000 1.090 155 F CA -0.089 57.905 58.000 -0.010 0.000 1.188 155 F CB 1.197 40.192 39.000 -0.008 0.000 1.105 155 F HN -0.008 nan 8.300 nan 0.000 0.536 156 D N 0.328 120.828 120.400 0.167 0.000 2.367 156 D HA 0.059 4.699 4.640 -0.000 0.000 0.207 156 D C 0.009 176.381 176.300 0.120 0.000 1.034 156 D CA 0.633 54.700 54.000 0.110 0.000 0.861 156 D CB 0.393 41.233 40.800 0.065 0.000 0.943 156 D HN 0.335 nan 8.370 nan 0.000 0.515 157 T N 0.668 115.318 114.554 0.159 0.000 2.879 157 T HA 0.559 4.909 4.350 -0.000 0.000 0.290 157 T C -0.622 174.142 174.700 0.107 0.000 0.993 157 T CA -0.629 61.544 62.100 0.121 0.000 0.975 157 T CB 1.567 70.503 68.868 0.113 0.000 0.981 157 T HN -0.109 nan 8.240 nan 0.000 0.439 158 L N 2.556 123.817 121.223 0.064 0.000 2.365 158 L HA 0.604 4.944 4.340 -0.000 0.000 0.273 158 L C -0.048 176.837 176.870 0.024 0.000 1.000 158 L CA -1.057 53.798 54.840 0.025 0.000 0.819 158 L CB 2.221 44.290 42.059 0.017 0.000 1.284 158 L HN 0.417 nan 8.230 nan 0.000 0.418 159 K N 3.793 124.200 120.400 0.012 0.000 2.253 159 K HA 0.549 4.869 4.320 -0.000 0.000 0.277 159 K C -1.001 175.613 176.600 0.023 0.000 1.053 159 K CA -0.358 55.940 56.287 0.019 0.000 0.892 159 K CB 0.771 33.280 32.500 0.014 0.000 1.102 159 K HN 0.523 nan 8.250 nan 0.000 0.469 160 I N 5.312 125.893 120.570 0.018 0.000 2.312 160 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 160 I C 0.048 176.166 176.117 0.001 0.000 1.008 160 I CA -0.939 60.369 61.300 0.013 0.000 1.226 160 I CB 1.254 39.260 38.000 0.011 0.000 1.371 160 I HN 0.362 nan 8.210 nan 0.000 0.468 161 K N 6.292 126.694 120.400 0.003 0.000 2.249 161 K HA 0.562 4.882 4.320 -0.000 0.000 0.280 161 K C -0.323 176.254 176.600 -0.039 0.000 1.033 161 K CA -0.263 56.010 56.287 -0.022 0.000 0.946 161 K CB 2.015 34.519 32.500 0.008 0.000 1.005 161 K HN 0.534 nan 8.250 nan 0.000 0.469 162 V N -2.406 117.460 119.914 -0.080 0.000 3.182 162 V HA 0.921 5.041 4.120 -0.000 0.000 0.308 162 V C 0.425 176.444 176.094 -0.125 0.000 1.240 162 V CA -0.224 62.048 62.300 -0.047 0.000 1.063 162 V CB 1.857 33.709 31.823 0.048 0.000 1.076 162 V HN 0.801 nan 8.190 nan 0.000 0.446 163 G N 0.010 108.795 108.800 -0.026 0.000 3.290 163 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.220 163 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.220 163 G C 0.564 175.488 174.900 0.039 0.000 0.940 163 G CA 0.891 45.953 45.100 -0.065 0.000 0.884 163 G HN 1.733 nan 8.290 nan 0.000 0.649 164 T N -1.506 113.091 114.554 0.071 0.000 3.065 164 T HA 0.532 4.882 4.350 -0.000 0.000 0.252 164 T C 1.108 175.862 174.700 0.090 0.000 1.099 164 T CA 0.923 63.057 62.100 0.056 0.000 1.063 164 T CB 1.050 69.934 68.868 0.027 0.000 0.948 164 T HN 1.854 nan 8.240 nan 0.000 0.506 165 G N 1.603 110.498 108.800 0.159 0.000 2.226 165 G HA2 0.310 4.270 3.960 -0.000 0.000 0.257 165 G HA3 0.310 4.270 3.960 -0.000 0.000 0.257 165 G C 0.239 175.207 174.900 0.115 0.000 1.732 165 G CA -0.344 44.834 45.100 0.129 0.000 0.914 165 G HN 0.310 nan 8.290 nan 0.000 0.742 166 I N 0.250 120.825 120.570 0.009 0.000 2.181 166 I HA -0.179 3.991 4.170 -0.000 0.000 0.247 166 I C 1.776 177.842 176.117 -0.084 0.000 1.081 166 I CA 2.670 63.873 61.300 -0.162 0.000 1.340 166 I CB -0.955 36.825 38.000 -0.367 0.000 1.036 166 I HN 0.660 nan 8.210 nan 0.000 0.417 167 E N 1.900 122.067 120.200 -0.056 0.000 2.033 167 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 167 E C 2.177 178.762 176.600 -0.024 0.000 1.011 167 E CA 2.341 58.715 56.400 -0.042 0.000 0.815 167 E CB -0.248 29.435 29.700 -0.029 0.000 0.755 167 E HN 0.635 nan 8.360 nan 0.000 0.451 168 A N 1.029 123.849 122.820 0.001 0.000 1.968 168 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 168 A C 1.866 179.461 177.584 0.018 0.000 1.169 168 A CA 1.549 53.590 52.037 0.005 0.000 0.638 168 A CB -0.346 18.662 19.000 0.013 0.000 0.812 168 A HN 0.220 nan 8.150 nan 0.000 0.446 169 D N 0.261 120.698 120.400 0.062 0.000 2.144 169 D HA -0.114 4.525 4.640 -0.000 0.000 0.199 169 D C 1.832 178.160 176.300 0.046 0.000 0.984 169 D CA 1.106 55.175 54.000 0.114 0.000 0.834 169 D CB -0.275 40.716 40.800 0.318 0.000 0.955 169 D HN 0.536 nan 8.370 nan 0.000 0.465 170 I N 1.138 121.699 120.570 -0.016 0.000 2.252 170 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 170 I C 2.503 178.540 176.117 -0.133 0.000 1.102 170 I CA 0.825 62.069 61.300 -0.093 0.000 1.385 170 I CB -0.220 37.712 38.000 -0.112 0.000 1.064 170 I HN -0.091 nan 8.210 nan 0.000 0.414 171 A N 1.003 123.772 122.820 -0.085 0.000 1.940 171 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 171 A C 2.388 179.923 177.584 -0.081 0.000 1.176 171 A CA 1.453 53.442 52.037 -0.081 0.000 0.631 171 A CB -0.548 18.425 19.000 -0.045 0.000 0.814 171 A HN 0.331 nan 8.150 nan 0.000 0.446 172 R N -0.706 119.759 120.500 -0.058 0.000 2.073 172 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 172 R C 2.054 178.311 176.300 -0.071 0.000 1.134 172 R CA 1.545 57.616 56.100 -0.048 0.000 0.952 172 R CB -0.650 29.637 30.300 -0.022 0.000 0.850 172 R HN 0.405 nan 8.270 nan 0.000 0.433 173 V N 1.756 121.611 119.914 -0.097 0.000 2.343 173 V HA -0.250 3.869 4.120 -0.000 0.000 0.247 173 V C 2.166 178.126 176.094 -0.222 0.000 1.051 173 V CA 1.746 63.967 62.300 -0.132 0.000 1.036 173 V CB -0.450 31.290 31.823 -0.138 0.000 0.654 173 V HN 0.317 nan 8.190 nan 0.000 0.451 174 K N 0.486 120.668 120.400 -0.362 0.000 2.057 174 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 174 K C 2.353 178.907 176.600 -0.076 0.000 1.049 174 K CA 1.512 57.571 56.287 -0.380 0.000 0.931 174 K CB -0.458 31.820 32.500 -0.370 0.000 0.714 174 K HN 0.469 nan 8.250 nan 0.000 0.440 175 A N 1.680 124.458 122.820 -0.071 0.000 1.877 175 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 175 A C 2.153 179.720 177.584 -0.029 0.000 1.186 175 A CA 1.325 53.344 52.037 -0.031 0.000 0.620 175 A CB -0.611 18.369 19.000 -0.033 0.000 0.822 175 A HN 0.176 nan 8.150 nan 0.000 0.443 176 I N -1.036 119.509 120.570 -0.042 0.000 2.226 176 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 176 I C 2.663 178.753 176.117 -0.045 0.000 1.100 176 I CA 1.664 62.942 61.300 -0.037 0.000 1.374 176 I CB -0.258 37.721 38.000 -0.034 0.000 1.057 176 I HN 0.298 nan 8.210 nan 0.000 0.413 177 R N 1.569 122.042 120.500 -0.045 0.000 2.075 177 R HA -0.198 4.141 4.340 -0.000 0.000 0.232 177 R C 2.089 178.309 176.300 -0.134 0.000 1.126 177 R CA 1.781 57.824 56.100 -0.096 0.000 0.963 177 R CB -0.580 29.733 30.300 0.023 0.000 0.858 177 R HN 0.401 nan 8.270 nan 0.000 0.435 178 E N -0.819 119.360 120.200 -0.035 0.000 2.265 178 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 178 E C 1.272 177.850 176.600 -0.036 0.000 0.996 178 E CA 1.121 57.507 56.400 -0.024 0.000 0.832 178 E CB -0.056 29.664 29.700 0.032 0.000 0.756 178 E HN 0.480 nan 8.360 nan 0.000 0.491 179 A N 0.235 123.032 122.820 -0.038 0.000 2.044 179 A HA 0.026 4.345 4.320 -0.000 0.000 0.213 179 A C 2.059 179.625 177.584 -0.031 0.000 1.169 179 A CA 0.784 52.805 52.037 -0.027 0.000 0.724 179 A CB 0.179 19.167 19.000 -0.019 0.000 0.840 179 A HN 0.266 nan 8.150 nan 0.000 0.463 180 V N -4.080 115.804 119.914 -0.051 0.000 3.621 180 V HA 0.562 4.682 4.120 -0.000 0.000 0.263 180 V C 1.047 177.109 176.094 -0.053 0.000 1.272 180 V CA 0.353 62.629 62.300 -0.039 0.000 1.080 180 V CB -1.002 30.805 31.823 -0.028 0.000 0.816 180 V HN 1.579 nan 8.190 nan 0.000 0.451 181 G N 0.213 108.944 108.800 -0.115 0.000 2.756 181 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.678 181 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.678 181 G C -0.509 174.286 174.900 -0.176 0.000 1.349 181 G CA -0.074 44.958 45.100 -0.113 0.000 0.847 181 G HN 0.250 nan 8.290 nan 0.000 0.548 182 F N 0.477 120.444 119.950 0.027 0.000 2.731 182 F HA 0.240 4.767 4.527 -0.000 0.000 0.304 182 F C 1.934 177.750 175.800 0.027 0.000 1.133 182 F CA 0.841 58.857 58.000 0.027 0.000 1.380 182 F CB 0.371 39.378 39.000 0.011 0.000 1.079 182 F HN 0.434 nan 8.300 nan 0.000 0.550 183 D N -0.321 120.167 120.400 0.147 0.000 2.271 183 D HA 0.014 4.653 4.640 -0.000 0.000 0.206 183 D C 0.661 177.012 176.300 0.085 0.000 0.967 183 D CA 0.726 54.789 54.000 0.106 0.000 0.867 183 D CB 0.345 41.189 40.800 0.073 0.000 0.960 183 D HN -0.065 nan 8.370 nan 0.000 0.509 184 I N 1.756 122.366 120.570 0.066 0.000 2.416 184 I HA 0.092 4.262 4.170 -0.000 0.000 0.288 184 I C 0.613 176.773 176.117 0.072 0.000 1.051 184 I CA -0.488 60.848 61.300 0.060 0.000 1.375 184 I CB 0.563 38.586 38.000 0.038 0.000 1.407 184 I HN -0.099 nan 8.210 nan 0.000 0.516 185 K N 7.128 127.575 120.400 0.080 0.000 2.322 185 K HA 0.467 4.787 4.320 -0.000 0.000 0.283 185 K C -1.130 175.515 176.600 0.074 0.000 1.042 185 K CA -0.392 55.946 56.287 0.085 0.000 0.958 185 K CB 0.685 33.233 32.500 0.080 0.000 0.984 185 K HN 0.506 nan 8.250 nan 0.000 0.473 186 L N 5.837 127.106 121.223 0.077 0.000 2.341 186 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 186 L C -0.301 176.609 176.870 0.068 0.000 1.005 186 L CA -0.959 53.920 54.840 0.064 0.000 0.818 186 L CB 1.732 43.827 42.059 0.059 0.000 1.259 186 L HN 0.677 nan 8.230 nan 0.000 0.418 187 R N 3.717 124.249 120.500 0.054 0.000 2.561 187 R HA 0.785 5.125 4.340 -0.000 0.000 0.297 187 R C -1.522 174.801 176.300 0.039 0.000 0.969 187 R CA -0.848 55.282 56.100 0.050 0.000 0.879 187 R CB 1.595 31.920 30.300 0.043 0.000 1.178 187 R HN 0.477 nan 8.270 nan 0.000 0.445 188 L N 1.570 122.818 121.223 0.042 0.000 2.352 188 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 188 L C -0.460 176.396 176.870 -0.023 0.000 1.034 188 L CA -0.923 53.931 54.840 0.023 0.000 0.806 188 L CB 1.453 43.553 42.059 0.068 0.000 1.244 188 L HN 0.694 nan 8.230 nan 0.000 0.447 189 D N 0.474 120.830 120.400 -0.074 0.000 2.479 189 D HA 0.384 5.024 4.640 -0.000 0.000 0.246 189 D C 0.065 176.227 176.300 -0.230 0.000 1.336 189 D CA -0.395 53.533 54.000 -0.120 0.000 0.967 189 D CB 2.094 42.854 40.800 -0.067 0.000 1.275 189 D HN 0.558 nan 8.370 nan 0.000 0.577 190 A N 3.476 126.054 122.820 -0.404 0.000 2.218 190 A HA 0.103 4.423 4.320 -0.000 0.000 0.209 190 A C 0.870 178.200 177.584 -0.424 0.000 1.168 190 A CA 0.181 51.829 52.037 -0.648 0.000 0.804 190 A CB -0.653 17.526 19.000 -1.367 0.000 0.834 190 A HN 0.778 nan 8.150 nan 0.000 0.482 191 N N -0.129 118.412 118.700 -0.265 0.000 2.705 191 N HA -0.264 4.476 4.740 -0.000 0.000 0.255 191 N C -0.060 175.343 175.510 -0.178 0.000 1.008 191 N CA 0.777 53.720 53.050 -0.178 0.000 0.742 191 N CB -1.221 37.167 38.487 -0.164 0.000 0.906 191 N HN 0.689 nan 8.380 nan 0.000 0.541 192 Q N -4.586 115.107 119.800 -0.177 0.000 2.424 192 Q HA -0.330 4.009 4.340 -0.000 0.000 0.234 192 Q C 1.186 177.109 176.000 -0.129 0.000 0.748 192 Q CA 0.960 56.692 55.803 -0.117 0.000 1.286 192 Q CB -1.670 27.032 28.738 -0.061 0.000 1.494 192 Q HN 0.684 nan 8.270 nan 0.000 0.683 193 A N -0.433 122.233 122.820 -0.257 0.000 2.067 193 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 193 A C 0.432 178.042 177.584 0.043 0.000 1.158 193 A CA 0.755 52.681 52.037 -0.185 0.000 0.661 193 A CB -0.007 18.815 19.000 -0.297 0.000 0.801 193 A HN 0.407 nan 8.150 nan 0.000 0.452 194 W N 0.026 121.327 121.300 0.002 0.000 2.509 194 W HA 0.506 5.166 4.660 -0.001 0.000 0.351 194 W C 0.456 176.983 176.519 0.013 0.000 1.107 194 W CA -0.615 56.734 57.345 0.008 0.000 1.264 194 W CB 0.008 29.477 29.460 0.015 0.000 1.312 194 W HN 0.135 nan 8.180 nan 0.000 0.608 195 T N -1.559 113.147 114.554 0.253 0.000 2.899 195 T HA 0.262 4.612 4.350 -0.000 0.000 0.284 195 T C -1.805 172.987 174.700 0.154 0.000 1.004 195 T CA -1.492 60.689 62.100 0.136 0.000 1.043 195 T CB 1.844 70.752 68.868 0.068 0.000 1.013 195 T HN -0.018 nan 8.240 nan 0.000 0.518 196 P HA -0.111 nan 4.420 nan 0.000 0.213 196 P C 1.489 178.924 177.300 0.225 0.000 1.170 196 P CA 1.412 64.624 63.100 0.187 0.000 0.902 196 P CB 0.063 31.811 31.700 0.080 0.000 0.789 197 K N -0.856 119.619 120.400 0.126 0.000 2.097 197 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 197 K C 1.751 178.381 176.600 0.050 0.000 1.049 197 K CA 1.514 57.885 56.287 0.140 0.000 0.933 197 K CB -0.630 31.899 32.500 0.049 0.000 0.717 197 K HN 0.130 nan 8.250 nan 0.000 0.442 198 D N 0.606 121.003 120.400 -0.004 0.000 2.144 198 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 198 D C 1.796 177.946 176.300 -0.249 0.000 0.978 198 D CA 1.085 55.008 54.000 -0.129 0.000 0.833 198 D CB -0.100 40.619 40.800 -0.134 0.000 0.961 198 D HN 0.188 nan 8.370 nan 0.000 0.470 199 A N 0.395 123.176 122.820 -0.066 0.000 1.933 199 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 199 A C 2.499 180.058 177.584 -0.041 0.000 1.175 199 A CA 1.099 53.139 52.037 0.005 0.000 0.628 199 A CB -0.654 18.560 19.000 0.358 0.000 0.814 199 A HN 0.142 nan 8.150 nan 0.000 0.444 200 V N 0.169 120.095 119.914 0.019 0.000 2.307 200 V HA -0.265 3.854 4.120 -0.000 0.000 0.245 200 V C 2.534 178.595 176.094 -0.056 0.000 1.045 200 V CA 2.380 64.678 62.300 -0.002 0.000 1.024 200 V CB -0.639 31.202 31.823 0.031 0.000 0.651 200 V HN 0.683 nan 8.190 nan 0.000 0.449 201 K N 0.166 120.517 120.400 -0.081 0.000 2.032 201 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 201 K C 2.212 178.718 176.600 -0.157 0.000 1.048 201 K CA 1.756 57.981 56.287 -0.103 0.000 0.927 201 K CB -0.399 32.035 32.500 -0.110 0.000 0.712 201 K HN 0.417 nan 8.250 nan 0.000 0.441 202 A N 1.387 124.029 122.820 -0.298 0.000 1.883 202 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 202 A C 2.124 179.594 177.584 -0.189 0.000 1.186 202 A CA 1.745 53.557 52.037 -0.375 0.000 0.624 202 A CB -0.673 17.793 19.000 -0.890 0.000 0.822 202 A HN 0.378 nan 8.150 nan 0.000 0.444 203 I N -0.480 120.017 120.570 -0.122 0.000 2.208 203 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 203 I C 2.793 178.918 176.117 0.014 0.000 1.097 203 I CA 1.696 62.998 61.300 0.004 0.000 1.363 203 I CB -0.516 37.512 38.000 0.046 0.000 1.051 203 I HN 0.478 nan 8.210 nan 0.000 0.413 204 Q N 0.583 120.377 119.800 -0.010 0.000 2.119 204 Q HA -0.150 4.189 4.340 -0.000 0.000 0.201 204 Q C 2.465 178.482 176.000 0.028 0.000 0.972 204 Q CA 1.546 57.353 55.803 0.007 0.000 0.847 204 Q CB -0.282 28.451 28.738 -0.009 0.000 0.903 204 Q HN 0.571 nan 8.270 nan 0.000 0.433 205 A N 0.775 123.598 122.820 0.005 0.000 1.972 205 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 205 A C 1.708 179.357 177.584 0.109 0.000 1.169 205 A CA 0.965 53.020 52.037 0.030 0.000 0.635 205 A CB -0.173 18.809 19.000 -0.029 0.000 0.810 205 A HN 0.231 nan 8.150 nan 0.000 0.446 206 L N -0.556 120.728 121.223 0.102 0.000 2.627 206 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 206 L C 2.443 179.481 176.870 0.280 0.000 1.150 206 L CA 0.947 55.914 54.840 0.210 0.000 0.917 206 L CB -1.693 40.431 42.059 0.109 0.000 1.104 206 L HN 0.440 nan 8.230 nan 0.000 0.445 207 A N 0.164 123.094 122.820 0.183 0.000 1.873 207 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 207 A C 1.378 179.029 177.584 0.112 0.000 1.193 207 A CA 1.667 53.775 52.037 0.119 0.000 0.629 207 A CB -0.331 18.709 19.000 0.065 0.000 0.826 207 A HN 0.381 nan 8.150 nan 0.000 0.447 208 D N -1.740 118.710 120.400 0.083 0.000 2.663 208 D HA 0.177 4.816 4.640 -0.000 0.000 0.243 208 D C -0.525 175.604 176.300 -0.285 0.000 1.218 208 D CA 0.441 54.380 54.000 -0.101 0.000 0.846 208 D CB -0.158 40.530 40.800 -0.186 0.000 1.014 208 D HN 0.645 nan 8.370 nan 0.000 0.476 209 Y N -0.236 120.191 120.300 0.211 0.000 2.728 209 Y HA 0.076 4.626 4.550 -0.000 0.000 0.256 209 Y C 0.555 176.659 175.900 0.341 0.000 1.112 209 Y CA -0.465 57.804 58.100 0.281 0.000 1.240 209 Y CB 0.404 38.938 38.460 0.124 0.000 1.337 209 Y HN -0.075 nan 8.280 nan 0.000 0.559 210 Q N 1.896 121.918 119.800 0.369 0.000 2.443 210 Q HA -0.177 4.163 4.340 -0.000 0.000 0.362 210 Q C -1.230 174.909 176.000 0.231 0.000 1.423 210 Q CA -0.010 55.962 55.803 0.281 0.000 1.037 210 Q CB -0.772 28.201 28.738 0.393 0.000 1.208 210 Q HN 0.225 nan 8.270 nan 0.000 0.334 211 I N 2.479 123.158 120.570 0.181 0.000 2.312 211 I HA 0.021 4.190 4.170 -0.000 0.000 0.291 211 I C 1.581 177.763 176.117 0.108 0.000 1.031 211 I CA 0.375 61.761 61.300 0.142 0.000 1.293 211 I CB 1.045 39.126 38.000 0.136 0.000 1.403 211 I HN 0.608 nan 8.210 nan 0.000 0.484 212 E N 6.697 126.955 120.200 0.096 0.000 2.038 212 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 212 E C -0.241 176.398 176.600 0.066 0.000 1.000 212 E CA 1.450 57.896 56.400 0.076 0.000 0.803 212 E CB 0.384 30.125 29.700 0.069 0.000 0.750 212 E HN 0.598 nan 8.360 nan 0.000 0.448 213 L N -3.662 117.601 121.223 0.067 0.000 2.838 213 L HA 0.538 4.878 4.340 -0.000 0.000 0.266 213 L C -1.348 175.561 176.870 0.065 0.000 1.040 213 L CA -1.144 53.732 54.840 0.060 0.000 0.906 213 L CB 1.860 43.947 42.059 0.046 0.000 1.501 213 L HN -0.287 nan 8.230 nan 0.000 0.407 214 V N 0.362 120.316 119.914 0.066 0.000 2.487 214 V HA 0.556 4.676 4.120 -0.000 0.000 0.298 214 V C -0.497 175.617 176.094 0.034 0.000 1.028 214 V CA -0.328 62.013 62.300 0.069 0.000 0.860 214 V CB 1.496 33.397 31.823 0.131 0.000 0.991 214 V HN 0.861 nan 8.190 nan 0.000 0.427 215 E N 2.702 122.898 120.200 -0.006 0.000 2.197 215 E HA 0.369 4.719 4.350 -0.000 0.000 0.281 215 E C -0.240 176.327 176.600 -0.055 0.000 0.995 215 E CA -0.750 55.637 56.400 -0.021 0.000 0.808 215 E CB 0.955 30.640 29.700 -0.026 0.000 1.093 215 E HN 0.651 nan 8.360 nan 0.000 0.394 216 Q N 3.887 123.673 119.800 -0.024 0.000 2.394 216 Q HA -0.172 4.167 4.340 -0.000 0.000 0.369 216 Q C -1.967 173.984 176.000 -0.083 0.000 1.312 216 Q CA 0.552 56.338 55.803 -0.028 0.000 1.155 216 Q CB -0.051 28.673 28.738 -0.023 0.000 1.311 216 Q HN 0.435 nan 8.270 nan 0.000 0.315 217 P HA -0.071 nan 4.420 nan 0.000 0.222 217 P C 0.403 177.720 177.300 0.028 0.000 1.153 217 P CA 1.373 64.451 63.100 -0.035 0.000 0.798 217 P CB 0.153 31.987 31.700 0.224 0.000 0.796 218 V N -4.100 115.848 119.914 0.056 0.000 3.103 218 V HA 0.534 4.654 4.120 -0.000 0.000 0.318 218 V C 0.098 176.207 176.094 0.024 0.000 1.114 218 V CA -1.619 60.721 62.300 0.067 0.000 1.020 218 V CB 1.334 33.216 31.823 0.098 0.000 1.085 218 V HN -0.302 nan 8.190 nan 0.000 0.446 219 K N 1.589 122.003 120.400 0.023 0.000 2.527 219 K HA 0.013 4.333 4.320 -0.000 0.000 0.278 219 K C 1.633 178.239 176.600 0.009 0.000 0.981 219 K CA 0.794 57.086 56.287 0.008 0.000 1.009 219 K CB 0.449 32.953 32.500 0.006 0.000 0.895 219 K HN 0.923 nan 8.250 nan 0.000 0.493 220 R N 2.161 122.664 120.500 0.005 0.000 2.117 220 R HA -0.135 4.205 4.340 -0.000 0.000 0.243 220 R C 1.107 177.395 176.300 -0.021 0.000 1.143 220 R CA 1.079 57.181 56.100 0.003 0.000 0.968 220 R CB -0.060 30.243 30.300 0.005 0.000 0.863 220 R HN 0.319 nan 8.270 nan 0.000 0.444 221 R N 0.778 121.260 120.500 -0.030 0.000 2.297 221 R HA 0.025 4.364 4.340 -0.000 0.000 0.197 221 R C 0.055 176.344 176.300 -0.018 0.000 0.943 221 R CA 0.426 56.503 56.100 -0.038 0.000 1.038 221 R CB -0.330 29.941 30.300 -0.048 0.000 0.957 221 R HN 0.261 nan 8.270 nan 0.000 0.484 222 D N 1.328 121.727 120.400 -0.003 0.000 2.619 222 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 222 D C 1.167 177.480 176.300 0.021 0.000 1.133 222 D CA -0.042 53.963 54.000 0.008 0.000 1.017 222 D CB -0.088 40.721 40.800 0.015 0.000 1.077 222 D HN 0.018 nan 8.370 nan 0.000 0.503 223 L N 0.940 122.172 121.223 0.015 0.000 2.141 223 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 223 L C 2.070 178.964 176.870 0.040 0.000 1.094 223 L CA 0.885 55.740 54.840 0.025 0.000 0.763 223 L CB -0.146 41.921 42.059 0.013 0.000 0.908 223 L HN 0.323 nan 8.230 nan 0.000 0.437 224 E N 0.144 120.364 120.200 0.034 0.000 2.106 224 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 224 E C 2.252 178.900 176.600 0.080 0.000 0.984 224 E CA 1.065 57.493 56.400 0.046 0.000 0.806 224 E CB -0.228 29.485 29.700 0.021 0.000 0.750 224 E HN 0.553 nan 8.360 nan 0.000 0.458 225 G N 1.489 110.327 108.800 0.064 0.000 2.403 225 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.216 225 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.216 225 G C 1.571 176.569 174.900 0.163 0.000 1.154 225 G CA 0.240 45.399 45.100 0.098 0.000 0.784 225 G HN 0.113 nan 8.290 nan 0.000 0.538 226 L N 0.795 122.085 121.223 0.111 0.000 2.056 226 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 226 L C 2.608 179.541 176.870 0.104 0.000 1.078 226 L CA 2.241 57.143 54.840 0.103 0.000 0.749 226 L CB -0.488 41.612 42.059 0.069 0.000 0.901 226 L HN 0.244 nan 8.230 nan 0.000 0.433 227 K N -1.824 118.636 120.400 0.099 0.000 2.097 227 K HA -0.270 4.050 4.320 -0.000 0.000 0.206 227 K C 2.274 178.937 176.600 0.105 0.000 1.049 227 K CA 1.678 58.016 56.287 0.084 0.000 0.933 227 K CB -0.441 32.103 32.500 0.074 0.000 0.717 227 K HN 0.428 nan 8.250 nan 0.000 0.442 228 Y N 1.076 121.392 120.300 0.025 0.000 2.145 228 Y HA -0.242 4.308 4.550 0.000 0.000 0.286 228 Y C 1.835 177.753 175.900 0.031 0.000 1.145 228 Y CA 1.649 59.764 58.100 0.025 0.000 1.148 228 Y CB -0.405 38.069 38.460 0.024 0.000 0.981 228 Y HN -0.159 nan 8.280 nan 0.000 0.507 229 V N -0.150 119.808 119.914 0.074 0.000 2.287 229 V HA -0.363 3.757 4.120 -0.000 0.000 0.248 229 V C 2.283 178.339 176.094 -0.063 0.000 1.053 229 V CA 2.533 64.826 62.300 -0.012 0.000 1.027 229 V CB -1.243 30.653 31.823 0.122 0.000 0.646 229 V HN 0.519 nan 8.190 nan 0.000 0.447 230 T N -0.345 114.202 114.554 -0.013 0.000 2.788 230 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 230 T C 1.999 176.667 174.700 -0.053 0.000 1.044 230 T CA 1.822 63.914 62.100 -0.014 0.000 1.139 230 T CB -0.238 68.637 68.868 0.012 0.000 0.867 230 T HN 0.507 nan 8.240 nan 0.000 0.454 231 S N 0.889 116.535 115.700 -0.089 0.000 2.489 231 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 231 S C 1.903 176.402 174.600 -0.169 0.000 0.995 231 S CA 0.456 58.593 58.200 -0.105 0.000 0.934 231 S CB -0.046 63.106 63.200 -0.081 0.000 0.771 231 S HN 0.367 nan 8.310 nan 0.000 0.522 232 Q N 0.699 120.336 119.800 -0.271 0.000 2.356 232 Q HA 0.203 4.543 4.340 -0.000 0.000 0.205 232 Q C 0.429 176.341 176.000 -0.147 0.000 0.901 232 Q CA 0.208 55.844 55.803 -0.278 0.000 0.938 232 Q CB 0.486 28.916 28.738 -0.512 0.000 1.081 232 Q HN 0.552 nan 8.270 nan 0.000 0.517 233 V N -2.420 117.435 119.914 -0.098 0.000 2.962 233 V HA 0.483 4.603 4.120 -0.000 0.000 0.313 233 V C 0.600 176.679 176.094 -0.024 0.000 1.099 233 V CA -0.982 61.290 62.300 -0.046 0.000 0.971 233 V CB 2.055 33.865 31.823 -0.022 0.000 1.028 233 V HN -0.085 nan 8.190 nan 0.000 0.430 234 N N 0.837 119.531 118.700 -0.010 0.000 2.467 234 N HA 0.001 4.740 4.740 -0.000 0.000 0.184 234 N C 0.557 176.075 175.510 0.012 0.000 1.106 234 N CA 0.429 53.478 53.050 -0.001 0.000 0.892 234 N CB 0.255 38.742 38.487 -0.000 0.000 0.969 234 N HN 0.877 nan 8.380 nan 0.000 0.454 235 T N 0.758 115.324 114.554 0.021 0.000 2.918 235 T HA 0.078 4.428 4.350 -0.000 0.000 0.302 235 T C 0.055 174.776 174.700 0.034 0.000 1.045 235 T CA 0.133 62.255 62.100 0.037 0.000 1.114 235 T CB 1.134 70.035 68.868 0.055 0.000 0.965 235 T HN 0.007 nan 8.240 nan 0.000 0.540 236 T N 4.456 119.033 114.554 0.039 0.000 2.870 236 T HA 0.264 4.614 4.350 -0.000 0.000 0.300 236 T C 0.129 174.853 174.700 0.041 0.000 0.989 236 T CA -0.309 61.812 62.100 0.035 0.000 1.139 236 T CB 0.017 68.906 68.868 0.034 0.000 0.920 236 T HN 0.251 nan 8.240 nan 0.000 0.537 237 I N 3.740 124.332 120.570 0.036 0.000 2.433 237 I HA 0.425 4.594 4.170 -0.000 0.000 0.292 237 I C -0.035 176.103 176.117 0.034 0.000 1.001 237 I CA -0.803 60.522 61.300 0.042 0.000 1.119 237 I CB 1.567 39.594 38.000 0.045 0.000 1.289 237 I HN 0.637 nan 8.210 nan 0.000 0.438 238 M N 5.097 124.717 119.600 0.033 0.000 2.436 238 M HA 0.734 5.214 4.480 -0.000 0.000 0.331 238 M C -0.806 175.510 176.300 0.027 0.000 1.135 238 M CA -0.542 54.773 55.300 0.027 0.000 0.987 238 M CB 2.086 34.699 32.600 0.021 0.000 1.687 238 M HN 0.690 nan 8.290 nan 0.000 0.445 239 A N 2.970 125.809 122.820 0.031 0.000 2.301 239 A HA 0.473 4.793 4.320 -0.000 0.000 0.312 239 A C -0.581 177.029 177.584 0.044 0.000 1.182 239 A CA -0.434 51.627 52.037 0.040 0.000 0.826 239 A CB 0.856 19.884 19.000 0.046 0.000 1.134 239 A HN 0.960 nan 8.150 nan 0.000 0.501 240 D N 0.608 121.040 120.400 0.053 0.000 3.028 240 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 240 D C 1.248 177.625 176.300 0.127 0.000 1.489 240 D CA 0.451 54.486 54.000 0.059 0.000 1.452 240 D CB -0.226 40.591 40.800 0.029 0.000 1.052 240 D HN 0.430 nan 8.370 nan 0.000 0.221 241 E N 0.147 120.435 120.200 0.146 0.000 2.267 241 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 241 E C 1.889 178.662 176.600 0.289 0.000 0.998 241 E CA 0.971 57.547 56.400 0.294 0.000 0.830 241 E CB -0.103 29.725 29.700 0.212 0.000 0.751 241 E HN 0.048 nan 8.360 nan 0.000 0.491 242 S N -0.749 115.041 115.700 0.150 0.000 2.515 242 S HA -0.027 4.442 4.470 -0.000 0.000 0.231 242 S C 0.436 175.101 174.600 0.109 0.000 0.987 242 S CA 0.251 58.500 58.200 0.083 0.000 0.936 242 S CB 0.012 63.244 63.200 0.052 0.000 0.766 242 S HN 0.340 nan 8.310 nan 0.000 0.528 243 C N 1.283 120.705 119.300 0.204 0.000 2.455 243 C HA 0.561 5.021 4.460 -0.000 0.000 0.321 243 C C 0.624 175.829 174.990 0.358 0.000 1.102 243 C CA -0.939 58.202 59.018 0.206 0.000 1.413 243 C CB -1.430 26.379 27.740 0.116 0.000 1.952 243 C HN 0.380 nan 8.230 nan 0.000 0.428 244 F N 2.347 122.326 119.950 0.048 0.000 2.243 244 F HA 0.211 4.738 4.527 -0.000 0.000 0.287 244 F C 1.392 177.228 175.800 0.060 0.000 1.067 244 F CA 1.007 59.050 58.000 0.072 0.000 1.304 244 F CB -0.169 38.904 39.000 0.120 0.000 1.087 244 F HN 0.642 nan 8.300 nan 0.000 0.513 245 D N -1.681 118.881 120.400 0.270 0.000 2.654 245 D HA 0.479 5.118 4.640 -0.000 0.000 0.255 245 D C 1.020 177.375 176.300 0.091 0.000 1.101 245 D CA -0.154 53.937 54.000 0.152 0.000 1.116 245 D CB 0.299 41.195 40.800 0.160 0.000 1.348 245 D HN 0.007 nan 8.370 nan 0.000 0.609 246 A N -0.620 122.234 122.820 0.056 0.000 1.940 246 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 246 A C 1.980 179.584 177.584 0.033 0.000 1.176 246 A CA 1.848 53.903 52.037 0.030 0.000 0.631 246 A CB -1.014 17.992 19.000 0.009 0.000 0.814 246 A HN 0.616 nan 8.150 nan 0.000 0.446 247 Q N -0.441 119.384 119.800 0.042 0.000 2.050 247 Q HA -0.192 4.147 4.340 -0.000 0.000 0.202 247 Q C 1.543 177.561 176.000 0.030 0.000 0.980 247 Q CA 1.457 57.280 55.803 0.033 0.000 0.840 247 Q CB -0.298 28.461 28.738 0.035 0.000 0.898 247 Q HN 0.595 nan 8.270 nan 0.000 0.424 248 D N 0.662 121.088 120.400 0.043 0.000 2.123 248 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 248 D C 1.825 178.147 176.300 0.036 0.000 0.992 248 D CA 1.395 55.417 54.000 0.037 0.000 0.833 248 D CB -0.277 40.559 40.800 0.061 0.000 0.954 248 D HN 0.269 nan 8.370 nan 0.000 0.455 249 A N 0.747 123.592 122.820 0.042 0.000 1.908 249 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 249 A C 2.168 179.764 177.584 0.020 0.000 1.181 249 A CA 1.099 53.155 52.037 0.031 0.000 0.627 249 A CB -0.745 18.271 19.000 0.026 0.000 0.818 249 A HN 0.239 nan 8.150 nan 0.000 0.445 250 L N 0.102 121.336 121.223 0.018 0.000 2.046 250 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 250 L C 2.329 179.206 176.870 0.012 0.000 1.077 250 L CA 2.663 57.510 54.840 0.012 0.000 0.747 250 L CB -0.601 41.464 42.059 0.011 0.000 0.896 250 L HN 0.641 nan 8.230 nan 0.000 0.432 251 E N -0.707 119.501 120.200 0.013 0.000 2.072 251 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 251 E C 2.205 178.812 176.600 0.013 0.000 0.985 251 E CA 1.351 57.757 56.400 0.010 0.000 0.801 251 E CB -0.213 29.491 29.700 0.006 0.000 0.750 251 E HN 0.585 nan 8.360 nan 0.000 0.452 252 L N 0.839 122.072 121.223 0.017 0.000 2.093 252 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 252 L C 2.750 179.630 176.870 0.017 0.000 1.085 252 L CA 1.154 56.005 54.840 0.020 0.000 0.755 252 L CB -0.558 41.516 42.059 0.025 0.000 0.904 252 L HN 0.242 nan 8.230 nan 0.000 0.435 253 V N -2.928 116.995 119.914 0.014 0.000 2.453 253 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 253 V C 2.310 178.410 176.094 0.010 0.000 1.048 253 V CA 1.301 63.607 62.300 0.011 0.000 1.049 253 V CB -0.702 31.126 31.823 0.008 0.000 0.672 253 V HN 0.358 nan 8.190 nan 0.000 0.457 254 K N 0.782 121.188 120.400 0.010 0.000 2.097 254 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 254 K C 2.157 178.763 176.600 0.011 0.000 1.049 254 K CA 1.822 58.114 56.287 0.009 0.000 0.933 254 K CB -0.206 32.299 32.500 0.008 0.000 0.717 254 K HN 0.511 nan 8.250 nan 0.000 0.442 255 K N -0.563 119.845 120.400 0.013 0.000 2.379 255 K HA 0.063 4.383 4.320 -0.000 0.000 0.194 255 K C 0.691 177.302 176.600 0.018 0.000 1.031 255 K CA 0.484 56.780 56.287 0.016 0.000 1.037 255 K CB 0.673 33.184 32.500 0.018 0.000 0.824 255 K HN 0.283 nan 8.250 nan 0.000 0.516 256 G N 2.091 110.901 108.800 0.016 0.000 2.273 256 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.280 256 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.280 256 G C 0.652 175.564 174.900 0.020 0.000 1.047 256 G CA 0.743 45.853 45.100 0.016 0.000 0.869 256 G HN 0.272 nan 8.290 nan 0.000 0.502 257 T N -1.437 113.132 114.554 0.024 0.000 2.777 257 T HA 0.203 4.553 4.350 -0.000 0.000 0.266 257 T C 1.527 176.246 174.700 0.031 0.000 1.040 257 T CA 1.834 63.953 62.100 0.031 0.000 1.141 257 T CB -0.083 68.804 68.868 0.032 0.000 0.868 257 T HN 1.589 nan 8.240 nan 0.000 0.444 258 V N -1.674 118.256 119.914 0.027 0.000 3.156 258 V HA 0.563 4.683 4.120 -0.000 0.000 0.310 258 V C -0.383 175.723 176.094 0.020 0.000 1.234 258 V CA -0.931 61.385 62.300 0.027 0.000 1.065 258 V CB 2.014 33.855 31.823 0.030 0.000 1.088 258 V HN -0.142 nan 8.190 nan 0.000 0.451 259 D N -0.114 120.298 120.400 0.020 0.000 2.323 259 D HA 0.256 4.896 4.640 -0.000 0.000 0.218 259 D C 0.376 176.685 176.300 0.015 0.000 0.973 259 D CA 1.183 55.193 54.000 0.016 0.000 0.890 259 D CB 1.315 42.126 40.800 0.017 0.000 1.011 259 D HN 0.406 nan 8.370 nan 0.000 0.499 260 V N 0.957 120.882 119.914 0.018 0.000 3.078 260 V HA 0.454 4.574 4.120 -0.000 0.000 0.311 260 V C -0.528 175.576 176.094 0.018 0.000 1.138 260 V CA -0.836 61.474 62.300 0.016 0.000 1.007 260 V CB 3.219 35.052 31.823 0.016 0.000 1.045 260 V HN -0.108 nan 8.190 nan 0.000 0.432 261 I N 2.314 122.893 120.570 0.015 0.000 2.545 261 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 261 I C -0.669 175.456 176.117 0.013 0.000 1.040 261 I CA -0.576 60.735 61.300 0.019 0.000 1.068 261 I CB 2.151 40.164 38.000 0.021 0.000 1.251 261 I HN 0.605 nan 8.210 nan 0.000 0.424 262 N N 7.256 125.965 118.700 0.015 0.000 2.434 262 N HA 0.425 5.165 4.740 -0.000 0.000 0.272 262 N C -1.105 174.404 175.510 -0.003 0.000 1.040 262 N CA -0.128 52.923 53.050 0.003 0.000 0.956 262 N CB 1.045 39.533 38.487 0.001 0.000 1.108 262 N HN 0.476 nan 8.380 nan 0.000 0.481 263 I N 2.891 123.451 120.570 -0.016 0.000 2.377 263 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 263 I C 0.144 176.233 176.117 -0.047 0.000 0.987 263 I CA -0.579 60.705 61.300 -0.026 0.000 1.185 263 I CB 1.309 39.293 38.000 -0.027 0.000 1.341 263 I HN 0.237 nan 8.210 nan 0.000 0.455 264 K N 6.294 126.654 120.400 -0.067 0.000 2.541 264 K HA 0.399 4.718 4.320 -0.000 0.000 0.250 264 K C 0.499 177.045 176.600 -0.090 0.000 0.950 264 K CA -0.640 55.594 56.287 -0.088 0.000 0.805 264 K CB 2.475 34.902 32.500 -0.122 0.000 1.166 264 K HN 0.545 nan 8.250 nan 0.000 0.430 265 L N 1.822 122.999 121.223 -0.076 0.000 2.081 265 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 265 L C 1.845 178.672 176.870 -0.072 0.000 1.080 265 L CA 1.263 56.064 54.840 -0.066 0.000 0.754 265 L CB -0.332 41.692 42.059 -0.059 0.000 0.893 265 L HN 0.687 nan 8.230 nan 0.000 0.433 266 M N -0.610 118.931 119.600 -0.097 0.000 2.476 266 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 266 M C 1.943 178.140 176.300 -0.171 0.000 1.079 266 M CA 1.387 56.617 55.300 -0.117 0.000 1.104 266 M CB -0.716 31.812 32.600 -0.120 0.000 1.409 266 M HN 0.225 nan 8.290 nan 0.000 0.467 267 K N -0.375 119.898 120.400 -0.213 0.000 2.202 267 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 267 K C 1.938 178.458 176.600 -0.133 0.000 1.051 267 K CA 1.236 57.306 56.287 -0.362 0.000 0.977 267 K CB 0.243 32.446 32.500 -0.494 0.000 0.792 267 K HN 0.514 nan 8.250 nan 0.000 0.469 268 C N -1.664 117.603 119.300 -0.055 0.000 2.780 268 C HA 0.448 4.908 4.460 -0.000 0.000 0.267 268 C C 1.397 176.410 174.990 0.038 0.000 1.266 268 C CA 0.006 59.040 59.018 0.027 0.000 1.709 268 C CB -0.228 27.521 27.740 0.015 0.000 1.975 268 C HN 0.564 nan 8.230 nan 0.000 0.582 269 G N -0.163 108.648 108.800 0.019 0.000 2.144 269 G HA2 0.420 4.379 3.960 -0.000 0.000 0.218 269 G HA3 0.420 4.379 3.960 -0.000 0.000 0.218 269 G C 0.595 175.584 174.900 0.147 0.000 0.988 269 G CA 0.183 45.327 45.100 0.073 0.000 0.659 269 G HN 2.408 nan 8.290 nan 0.000 0.522 270 G N -1.534 107.309 108.800 0.073 0.000 2.354 270 G HA2 0.252 4.212 3.960 -0.000 0.000 0.582 270 G HA3 0.252 4.212 3.960 -0.000 0.000 0.582 270 G C 0.656 175.549 174.900 -0.011 0.000 1.316 270 G CA -0.131 45.017 45.100 0.079 0.000 0.995 270 G HN 0.786 nan 8.290 nan 0.000 0.573 271 I N 0.002 120.503 120.570 -0.116 0.000 2.315 271 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 271 I C 2.374 178.368 176.117 -0.205 0.000 1.117 271 I CA 1.486 62.597 61.300 -0.315 0.000 1.404 271 I CB -0.246 37.236 38.000 -0.862 0.000 1.071 271 I HN 0.687 nan 8.210 nan 0.000 0.419 272 H N 1.011 120.019 119.070 -0.103 0.000 2.353 272 H HA -0.219 4.337 4.556 -0.000 0.000 0.300 272 H C 2.058 177.295 175.328 -0.152 0.000 1.090 272 H CA 2.094 58.121 56.048 -0.035 0.000 1.327 272 H CB 0.325 30.067 29.762 -0.033 0.000 1.383 272 H HN 0.292 nan 8.280 nan 0.000 0.508 273 E N 0.554 120.692 120.200 -0.103 0.000 2.158 273 E HA 0.014 4.363 4.350 -0.000 0.000 0.191 273 E C 2.267 178.816 176.600 -0.085 0.000 0.982 273 E CA 1.094 57.435 56.400 -0.100 0.000 0.823 273 E CB -0.324 29.344 29.700 -0.052 0.000 0.766 273 E HN 0.447 nan 8.360 nan 0.000 0.468 274 A N 0.720 123.491 122.820 -0.082 0.000 1.933 274 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 274 A C 2.246 179.780 177.584 -0.084 0.000 1.175 274 A CA 1.352 53.345 52.037 -0.073 0.000 0.628 274 A CB -0.745 18.206 19.000 -0.081 0.000 0.814 274 A HN 0.348 nan 8.150 nan 0.000 0.444 275 L N -0.640 120.513 121.223 -0.117 0.000 2.046 275 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 275 L C 2.586 179.393 176.870 -0.104 0.000 1.077 275 L CA 1.832 56.605 54.840 -0.112 0.000 0.747 275 L CB -0.478 41.498 42.059 -0.138 0.000 0.896 275 L HN 0.381 nan 8.230 nan 0.000 0.432 276 K N 0.264 120.587 120.400 -0.128 0.000 2.032 276 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 276 K C 2.051 178.619 176.600 -0.053 0.000 1.048 276 K CA 1.432 57.663 56.287 -0.094 0.000 0.927 276 K CB -0.297 32.149 32.500 -0.091 0.000 0.712 276 K HN 0.243 nan 8.250 nan 0.000 0.441 277 I N 1.473 122.017 120.570 -0.043 0.000 2.127 277 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 277 I C 2.352 178.454 176.117 -0.025 0.000 1.075 277 I CA 1.419 62.707 61.300 -0.021 0.000 1.334 277 I CB -0.464 37.529 38.000 -0.011 0.000 1.040 277 I HN 0.242 nan 8.210 nan 0.000 0.405 278 N N 0.705 119.384 118.700 -0.035 0.000 2.120 278 N HA -0.223 4.516 4.740 -0.000 0.000 0.188 278 N C 1.892 177.380 175.510 -0.036 0.000 1.024 278 N CA 1.523 54.551 53.050 -0.036 0.000 0.852 278 N CB -0.027 38.434 38.487 -0.043 0.000 1.003 278 N HN 0.332 nan 8.380 nan 0.000 0.424 279 Q N -0.151 119.625 119.800 -0.040 0.000 2.050 279 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 279 Q C 2.154 178.138 176.000 -0.027 0.000 0.980 279 Q CA 1.552 57.334 55.803 -0.036 0.000 0.840 279 Q CB -0.151 28.563 28.738 -0.039 0.000 0.898 279 Q HN 0.492 nan 8.270 nan 0.000 0.424 280 I N 0.167 120.723 120.570 -0.023 0.000 2.163 280 I HA -0.371 3.798 4.170 -0.000 0.000 0.243 280 I C 2.436 178.546 176.117 -0.011 0.000 1.085 280 I CA 0.918 62.210 61.300 -0.014 0.000 1.347 280 I CB -0.377 37.618 38.000 -0.009 0.000 1.044 280 I HN 0.355 nan 8.210 nan 0.000 0.408 281 C N 0.280 119.573 119.300 -0.012 0.000 2.432 281 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 281 C C 2.808 177.789 174.990 -0.015 0.000 1.249 281 C CA 1.091 60.102 59.018 -0.010 0.000 1.725 281 C CB -1.003 26.731 27.740 -0.010 0.000 2.028 281 C HN 0.538 nan 8.230 nan 0.000 0.477 282 E N 0.598 120.784 120.200 -0.024 0.000 2.070 282 E HA -0.236 4.113 4.350 -0.000 0.000 0.197 282 E C 1.904 178.491 176.600 -0.022 0.000 1.004 282 E CA 1.979 58.361 56.400 -0.030 0.000 0.805 282 E CB -0.142 29.533 29.700 -0.042 0.000 0.744 282 E HN 0.581 nan 8.360 nan 0.000 0.451 283 T N 0.036 114.578 114.554 -0.019 0.000 2.833 283 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 283 T C 1.588 176.283 174.700 -0.009 0.000 1.054 283 T CA 1.222 63.314 62.100 -0.013 0.000 1.135 283 T CB -0.154 68.707 68.868 -0.011 0.000 0.869 283 T HN 0.325 nan 8.240 nan 0.000 0.466 284 A N 0.135 122.950 122.820 -0.008 0.000 2.251 284 A HA 0.542 4.862 4.320 -0.000 0.000 0.209 284 A C 1.807 179.389 177.584 -0.004 0.000 1.187 284 A CA 0.675 52.710 52.037 -0.004 0.000 0.823 284 A CB -0.558 18.442 19.000 -0.001 0.000 0.846 284 A HN 0.697 nan 8.150 nan 0.000 0.486 285 G N -0.662 108.133 108.800 -0.008 0.000 2.137 285 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.237 285 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.237 285 G C -0.032 174.865 174.900 -0.006 0.000 1.002 285 G CA 0.304 45.400 45.100 -0.007 0.000 0.702 285 G HN 0.486 nan 8.290 nan 0.000 0.515 286 I N 1.307 121.874 120.570 -0.006 0.000 2.330 286 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 286 I C 0.678 176.790 176.117 -0.008 0.000 1.001 286 I CA -0.738 60.560 61.300 -0.003 0.000 1.193 286 I CB 1.003 39.004 38.000 0.001 0.000 1.345 286 I HN 0.139 nan 8.210 nan 0.000 0.461 287 E N 4.537 124.734 120.200 -0.006 0.000 2.392 287 E HA 0.314 4.664 4.350 -0.000 0.000 0.256 287 E C -0.899 175.697 176.600 -0.006 0.000 1.145 287 E CA -0.429 55.965 56.400 -0.010 0.000 0.929 287 E CB 1.325 31.022 29.700 -0.006 0.000 0.998 287 E HN 0.523 nan 8.360 nan 0.000 0.442 288 C N 1.286 120.579 119.300 -0.011 0.000 2.667 288 C HA 0.594 5.054 4.460 -0.000 0.000 0.323 288 C C -0.216 174.771 174.990 -0.005 0.000 1.214 288 C CA -0.703 58.310 59.018 -0.008 0.000 1.721 288 C CB 1.122 28.854 27.740 -0.014 0.000 2.275 288 C HN 0.736 nan 8.230 nan 0.000 0.491 289 M N 2.582 122.180 119.600 -0.003 0.000 2.326 289 M HA 0.631 5.111 4.480 -0.000 0.000 0.306 289 M C -1.219 175.075 176.300 -0.010 0.000 1.054 289 M CA -0.508 54.791 55.300 -0.001 0.000 0.922 289 M CB 1.122 33.725 32.600 0.004 0.000 1.632 289 M HN 0.739 nan 8.290 nan 0.000 0.436 290 I N 4.307 124.871 120.570 -0.011 0.000 2.474 290 I HA 0.666 4.836 4.170 -0.000 0.000 0.287 290 I C 0.088 176.188 176.117 -0.029 0.000 1.048 290 I CA 0.579 61.866 61.300 -0.022 0.000 1.383 290 I CB 1.102 39.090 38.000 -0.019 0.000 1.412 290 I HN 0.762 nan 8.210 nan 0.000 0.531 291 G N 5.485 114.260 108.800 -0.042 0.000 3.140 291 G HA2 0.742 4.701 3.960 -0.000 0.000 0.271 291 G HA3 0.742 4.701 3.960 -0.000 0.000 0.271 291 G C -1.395 173.460 174.900 -0.075 0.000 1.370 291 G CA -0.137 44.931 45.100 -0.054 0.000 1.014 291 G HN 1.021 nan 8.290 nan 0.000 0.541 292 C N -1.997 117.249 119.300 -0.090 0.000 3.311 292 C HA 0.822 5.281 4.460 -0.000 0.000 0.325 292 C C -0.537 174.387 174.990 -0.109 0.000 1.352 292 C CA -1.210 57.745 59.018 -0.106 0.000 1.308 292 C CB 0.931 28.593 27.740 -0.130 0.000 1.619 292 C HN 0.681 nan 8.230 nan 0.000 0.469 293 M N 1.949 121.481 119.600 -0.113 0.000 2.409 293 M HA 0.448 4.928 4.480 -0.000 0.000 0.329 293 M C 1.211 177.432 176.300 -0.131 0.000 1.180 293 M CA -0.124 55.111 55.300 -0.108 0.000 1.053 293 M CB 1.273 33.806 32.600 -0.112 0.000 1.586 293 M HN 1.066 nan 8.290 nan 0.000 0.461 294 A N 1.289 124.032 122.820 -0.128 0.000 2.066 294 A HA -0.053 4.266 4.320 -0.000 0.000 0.218 294 A C 1.584 179.089 177.584 -0.132 0.000 1.157 294 A CA 1.242 53.186 52.037 -0.155 0.000 0.670 294 A CB -0.352 18.569 19.000 -0.131 0.000 0.804 294 A HN 0.858 nan 8.150 nan 0.000 0.453 295 E N 0.735 120.860 120.200 -0.125 0.000 2.427 295 E HA -0.016 4.333 4.350 -0.000 0.000 0.196 295 E C 0.648 177.189 176.600 -0.100 0.000 1.028 295 E CA 0.622 56.954 56.400 -0.112 0.000 0.864 295 E CB 0.028 29.653 29.700 -0.124 0.000 0.813 295 E HN 0.897 nan 8.360 nan 0.000 0.514 296 E N -0.045 120.091 120.200 -0.106 0.000 2.280 296 E HA 0.368 4.718 4.350 -0.000 0.000 0.264 296 E C 0.331 176.872 176.600 -0.098 0.000 1.064 296 E CA -0.391 55.953 56.400 -0.095 0.000 0.900 296 E CB 1.371 31.015 29.700 -0.093 0.000 1.123 296 E HN 0.005 nan 8.360 nan 0.000 0.418 297 T N -1.616 112.889 114.554 -0.082 0.000 2.541 297 T HA 0.191 4.541 4.350 -0.000 0.000 0.222 297 T C 1.332 175.990 174.700 -0.070 0.000 0.819 297 T CA 0.122 62.175 62.100 -0.078 0.000 1.203 297 T CB 0.101 68.932 68.868 -0.062 0.000 1.640 297 T HN 0.377 nan 8.240 nan 0.000 0.507 298 T N 1.394 115.915 114.554 -0.055 0.000 2.665 298 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 298 T C 1.970 176.652 174.700 -0.030 0.000 1.035 298 T CA 2.044 64.120 62.100 -0.040 0.000 1.151 298 T CB -0.773 68.073 68.868 -0.036 0.000 0.862 298 T HN 0.464 nan 8.240 nan 0.000 0.438 299 I N 1.014 121.562 120.570 -0.036 0.000 2.142 299 I HA -0.101 4.069 4.170 -0.000 0.000 0.240 299 I C 2.961 179.073 176.117 -0.009 0.000 1.078 299 I CA 1.437 62.729 61.300 -0.014 0.000 1.343 299 I CB -0.853 37.142 38.000 -0.008 0.000 1.046 299 I HN 0.323 nan 8.210 nan 0.000 0.405 300 G N 1.360 110.143 108.800 -0.028 0.000 2.421 300 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 300 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 300 G C 1.605 176.484 174.900 -0.036 0.000 1.171 300 G CA 0.498 45.576 45.100 -0.036 0.000 0.775 300 G HN 0.174 nan 8.290 nan 0.000 0.543 301 I N 1.466 122.006 120.570 -0.049 0.000 2.226 301 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 301 I C 2.921 179.038 176.117 -0.000 0.000 1.100 301 I CA 1.494 62.762 61.300 -0.053 0.000 1.374 301 I CB -1.560 36.382 38.000 -0.097 0.000 1.057 301 I HN 0.114 nan 8.210 nan 0.000 0.413 302 T N 1.450 116.022 114.554 0.031 0.000 2.746 302 T HA -0.132 4.217 4.350 -0.000 0.000 0.267 302 T C 2.067 176.873 174.700 0.177 0.000 1.039 302 T CA 1.628 63.796 62.100 0.114 0.000 1.142 302 T CB -0.319 68.615 68.868 0.110 0.000 0.866 302 T HN 0.453 nan 8.240 nan 0.000 0.444 303 A N 1.422 124.289 122.820 0.078 0.000 1.902 303 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 303 A C 2.638 180.256 177.584 0.056 0.000 1.181 303 A CA 1.865 53.929 52.037 0.045 0.000 0.623 303 A CB -1.084 17.911 19.000 -0.007 0.000 0.818 303 A HN 0.514 nan 8.150 nan 0.000 0.443 304 A N -0.263 122.572 122.820 0.025 0.000 1.930 304 A HA 0.206 4.525 4.320 -0.000 0.000 0.217 304 A C 2.473 180.076 177.584 0.032 0.000 1.175 304 A CA 1.910 53.950 52.037 0.004 0.000 0.627 304 A CB -0.912 18.072 19.000 -0.026 0.000 0.815 304 A HN 1.026 nan 8.150 nan 0.000 0.443 305 A N -1.098 121.754 122.820 0.054 0.000 1.902 305 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 305 A C 2.065 179.667 177.584 0.030 0.000 1.181 305 A CA 1.525 53.579 52.037 0.029 0.000 0.623 305 A CB -0.932 18.077 19.000 0.015 0.000 0.818 305 A HN 0.695 nan 8.150 nan 0.000 0.443 306 H N -1.307 117.793 119.070 0.049 0.000 2.326 306 H HA -0.113 4.443 4.556 -0.000 0.000 0.301 306 H C 2.150 177.531 175.328 0.089 0.000 1.081 306 H CA 1.772 57.888 56.048 0.112 0.000 1.334 306 H CB -0.222 29.624 29.762 0.140 0.000 1.385 306 H HN 0.436 nan 8.280 nan 0.000 0.504 307 L N 1.234 122.549 121.223 0.153 0.000 2.012 307 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 307 L C 2.571 179.471 176.870 0.050 0.000 1.073 307 L CA 1.938 56.816 54.840 0.064 0.000 0.748 307 L CB -0.896 41.156 42.059 -0.011 0.000 0.891 307 L HN 0.159 nan 8.230 nan 0.000 0.431 308 A N -0.399 122.441 122.820 0.034 0.000 1.877 308 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 308 A C 2.465 180.069 177.584 0.033 0.000 1.186 308 A CA 2.021 54.070 52.037 0.020 0.000 0.620 308 A CB -1.303 17.702 19.000 0.007 0.000 0.822 308 A HN 0.604 nan 8.150 nan 0.000 0.443 309 A N -0.321 122.508 122.820 0.015 0.000 1.933 309 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 309 A C 2.419 180.055 177.584 0.088 0.000 1.175 309 A CA 2.024 54.055 52.037 -0.009 0.000 0.628 309 A CB -0.864 18.033 19.000 -0.170 0.000 0.814 309 A HN 1.093 nan 8.150 nan 0.000 0.444 310 A N -1.820 121.081 122.820 0.134 0.000 2.066 310 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 310 A C 1.096 178.768 177.584 0.147 0.000 1.157 310 A CA 0.604 52.757 52.037 0.193 0.000 0.670 310 A CB -0.023 19.101 19.000 0.207 0.000 0.804 310 A HN 0.449 nan 8.150 nan 0.000 0.453 311 Q N -0.463 119.383 119.800 0.076 0.000 2.307 311 Q HA 0.229 4.569 4.340 -0.000 0.000 0.262 311 Q C 0.413 176.339 176.000 -0.125 0.000 0.961 311 Q CA -0.256 55.535 55.803 -0.019 0.000 0.882 311 Q CB 1.865 30.587 28.738 -0.027 0.000 1.264 311 Q HN 0.534 nan 8.270 nan 0.000 0.446 312 K N 2.810 122.984 120.400 -0.377 0.000 2.057 312 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 312 K C 1.121 177.538 176.600 -0.305 0.000 1.049 312 K CA 1.623 57.487 56.287 -0.704 0.000 0.931 312 K CB 0.272 32.150 32.500 -1.038 0.000 0.714 312 K HN 0.386 nan 8.250 nan 0.000 0.440 313 N N 0.586 119.169 118.700 -0.196 0.000 2.459 313 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 313 N C -0.021 175.450 175.510 -0.065 0.000 1.046 313 N CA 0.404 53.388 53.050 -0.109 0.000 0.904 313 N CB 0.089 38.525 38.487 -0.084 0.000 0.964 313 N HN 0.172 nan 8.380 nan 0.000 0.444 314 I N 1.266 121.801 120.570 -0.058 0.000 2.224 314 I HA 0.043 4.213 4.170 -0.000 0.000 0.293 314 I C 0.979 177.091 176.117 -0.010 0.000 1.155 314 I CA -0.082 61.202 61.300 -0.026 0.000 1.297 314 I CB 0.271 38.260 38.000 -0.019 0.000 1.487 314 I HN 0.166 nan 8.210 nan 0.000 0.564 315 T N 1.876 116.426 114.554 -0.005 0.000 3.107 315 T HA 0.223 4.573 4.350 -0.000 0.000 0.249 315 T C 0.888 175.603 174.700 0.024 0.000 1.096 315 T CA 0.054 62.162 62.100 0.014 0.000 1.012 315 T CB 0.208 69.082 68.868 0.010 0.000 0.977 315 T HN 0.398 nan 8.240 nan 0.000 0.527 316 R N 0.053 120.565 120.500 0.020 0.000 2.837 316 R HA 0.807 5.147 4.340 -0.000 0.000 0.271 316 R C -1.558 174.756 176.300 0.023 0.000 0.993 316 R CA -0.886 55.230 56.100 0.027 0.000 0.931 316 R CB 2.330 32.645 30.300 0.025 0.000 1.206 316 R HN 0.237 nan 8.270 nan 0.000 0.474 317 A N 0.933 123.773 122.820 0.032 0.000 2.427 317 A HA 0.391 4.711 4.320 -0.000 0.000 0.298 317 A C -1.627 175.977 177.584 0.032 0.000 1.036 317 A CA -0.573 51.480 52.037 0.027 0.000 0.701 317 A CB 1.675 20.694 19.000 0.032 0.000 1.250 317 A HN 0.700 nan 8.150 nan 0.000 0.412 318 D N 2.446 122.848 120.400 0.004 0.000 2.443 318 D HA 0.439 5.079 4.640 -0.000 0.000 0.281 318 D C -1.204 175.061 176.300 -0.059 0.000 1.210 318 D CA 0.063 54.056 54.000 -0.012 0.000 0.875 318 D CB 0.055 40.843 40.800 -0.021 0.000 1.125 318 D HN 0.332 nan 8.370 nan 0.000 0.503 319 L N 2.883 124.066 121.223 -0.066 0.000 2.502 319 L HA 0.372 4.711 4.340 -0.000 0.000 0.247 319 L C 0.070 176.737 176.870 -0.338 0.000 1.180 319 L CA -0.400 54.349 54.840 -0.151 0.000 0.956 319 L CB 0.968 42.969 42.059 -0.096 0.000 1.282 319 L HN 0.214 nan 8.230 nan 0.000 0.470 320 D N 0.019 120.163 120.400 -0.426 0.000 2.440 320 D HA 0.077 4.717 4.640 -0.000 0.000 0.216 320 D C 1.458 177.308 176.300 -0.750 0.000 1.150 320 D CA 0.134 53.637 54.000 -0.827 0.000 0.832 320 D CB 0.681 41.324 40.800 -0.261 0.000 0.992 320 D HN 0.266 nan 8.370 nan 0.000 0.502 321 A N 1.315 123.833 122.820 -0.503 0.000 1.908 321 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 321 A C 2.338 179.742 177.584 -0.301 0.000 1.181 321 A CA 2.556 54.383 52.037 -0.350 0.000 0.627 321 A CB -1.270 17.581 19.000 -0.248 0.000 0.818 321 A HN 0.421 nan 8.150 nan 0.000 0.445 322 T N -2.988 111.351 114.554 -0.358 0.000 2.881 322 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 322 T C 1.478 176.185 174.700 0.012 0.000 1.068 322 T CA 1.346 63.348 62.100 -0.163 0.000 1.131 322 T CB -0.647 68.157 68.868 -0.106 0.000 0.871 322 T HN 0.244 nan 8.240 nan 0.000 0.479 323 F N 2.407 122.350 119.950 -0.011 0.000 2.250 323 F HA 0.232 4.759 4.527 -0.000 0.000 0.301 323 F C 2.526 178.333 175.800 0.012 0.000 1.077 323 F CA 0.153 58.162 58.000 0.014 0.000 1.348 323 F CB -1.300 37.712 39.000 0.020 0.000 1.040 323 F HN 0.423 nan 8.300 nan 0.000 0.509 324 G N -0.367 108.514 108.800 0.134 0.000 3.088 324 G HA2 0.246 4.206 3.960 -0.000 0.000 0.217 324 G HA3 0.246 4.206 3.960 -0.000 0.000 0.217 324 G C 0.524 175.462 174.900 0.063 0.000 1.159 324 G CA -0.237 44.923 45.100 0.099 0.000 0.760 324 G HN 0.109 nan 8.290 nan 0.000 0.550 325 L N 0.652 121.902 121.223 0.046 0.000 2.380 325 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 325 L C 1.302 178.197 176.870 0.041 0.000 1.138 325 L CA -0.326 54.531 54.840 0.028 0.000 0.832 325 L CB 1.303 43.367 42.059 0.008 0.000 1.124 325 L HN 0.158 nan 8.230 nan 0.000 0.454 326 E N 0.551 120.770 120.200 0.032 0.000 2.152 326 E HA -0.073 4.276 4.350 -0.000 0.000 0.192 326 E C 0.457 177.074 176.600 0.027 0.000 0.983 326 E CA 0.900 57.319 56.400 0.032 0.000 0.818 326 E CB 0.383 30.098 29.700 0.025 0.000 0.758 326 E HN 0.666 nan 8.360 nan 0.000 0.467 327 T N -1.425 113.142 114.554 0.021 0.000 2.821 327 T HA 0.560 4.910 4.350 -0.000 0.000 0.306 327 T C -1.915 172.792 174.700 0.011 0.000 1.313 327 T CA -0.532 61.579 62.100 0.018 0.000 1.012 327 T CB 1.603 70.480 68.868 0.015 0.000 1.298 327 T HN 0.007 nan 8.240 nan 0.000 0.502 328 A N 3.131 125.957 122.820 0.010 0.000 2.301 328 A HA 0.700 5.020 4.320 -0.000 0.000 0.312 328 A C -1.386 176.198 177.584 -0.001 0.000 1.182 328 A CA -1.464 50.573 52.037 0.001 0.000 0.826 328 A CB 0.663 19.665 19.000 0.003 0.000 1.134 328 A HN 0.736 nan 8.150 nan 0.000 0.501 329 P HA 0.023 nan 4.420 nan 0.000 0.233 329 P C 0.240 177.533 177.300 -0.012 0.000 1.167 329 P CA 1.277 64.363 63.100 -0.022 0.000 0.770 329 P CB -0.263 31.401 31.700 -0.059 0.000 0.837 330 V N -5.024 114.874 119.914 -0.027 0.000 3.165 330 V HA 0.648 4.768 4.120 -0.000 0.000 0.309 330 V C -0.732 175.340 176.094 -0.036 0.000 1.267 330 V CA -0.865 61.416 62.300 -0.032 0.000 1.067 330 V CB 1.350 33.048 31.823 -0.209 0.000 1.082 330 V HN -0.236 nan 8.190 nan 0.000 0.451 331 T N 1.048 115.568 114.554 -0.058 0.000 2.867 331 T HA 0.804 5.153 4.350 -0.000 0.000 0.282 331 T C 0.270 174.947 174.700 -0.038 0.000 1.000 331 T CA 0.593 62.670 62.100 -0.038 0.000 1.042 331 T CB 0.703 69.553 68.868 -0.030 0.000 0.973 331 T HN 2.227 nan 8.240 nan 0.000 0.465 332 G N 1.069 109.864 108.800 -0.008 0.000 2.728 332 G HA2 0.382 4.341 3.960 -0.000 0.000 0.294 332 G HA3 0.382 4.341 3.960 -0.000 0.000 0.294 332 G C 0.190 175.101 174.900 0.018 0.000 1.342 332 G CA -0.346 44.761 45.100 0.012 0.000 0.866 332 G HN 1.941 nan 8.290 nan 0.000 0.534 333 G N -2.587 106.243 108.800 0.049 0.000 2.681 333 G HA2 0.229 4.189 3.960 -0.000 0.000 0.220 333 G HA3 0.229 4.189 3.960 -0.000 0.000 0.220 333 G C 0.231 175.168 174.900 0.061 0.000 1.353 333 G CA 0.254 45.394 45.100 0.066 0.000 0.872 333 G HN 2.094 nan 8.290 nan 0.000 0.557 334 V N 1.464 121.415 119.914 0.061 0.000 2.599 334 V HA 0.401 4.521 4.120 -0.000 0.000 0.300 334 V C 1.534 177.663 176.094 0.059 0.000 1.034 334 V CA 0.708 63.042 62.300 0.058 0.000 1.115 334 V CB 0.726 32.573 31.823 0.041 0.000 0.934 334 V HN 1.646 nan 8.190 nan 0.000 0.485 335 S N 5.227 120.975 115.700 0.081 0.000 2.614 335 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 335 S C 0.685 175.367 174.600 0.136 0.000 1.303 335 S CA -0.690 57.562 58.200 0.087 0.000 1.000 335 S CB 0.925 64.171 63.200 0.076 0.000 0.935 335 S HN 0.371 nan 8.310 nan 0.000 0.551 336 L N 0.703 121.996 121.223 0.117 0.000 2.456 336 L HA 0.227 4.567 4.340 -0.000 0.000 0.224 336 L C 1.444 178.450 176.870 0.226 0.000 1.148 336 L CA 1.035 55.968 54.840 0.155 0.000 0.825 336 L CB -1.477 40.640 42.059 0.096 0.000 0.937 336 L HN 0.838 nan 8.230 nan 0.000 0.450 337 E N 0.645 120.944 120.200 0.165 0.000 2.465 337 E HA 0.125 4.474 4.350 -0.000 0.000 0.260 337 E C 0.160 176.776 176.600 0.026 0.000 0.980 337 E CA -0.079 56.374 56.400 0.090 0.000 0.927 337 E CB 0.634 30.356 29.700 0.037 0.000 0.934 337 E HN 0.255 nan 8.360 nan 0.000 0.459 338 A N 6.337 129.043 122.820 -0.190 0.000 2.797 338 A HA 0.121 4.441 4.320 -0.000 0.000 0.296 338 A C -0.340 176.948 177.584 -0.494 0.000 1.580 338 A CA -0.106 51.487 52.037 -0.740 0.000 1.277 338 A CB -0.371 18.415 19.000 -0.356 0.000 1.101 338 A HN 0.512 nan 8.150 nan 0.000 0.562 339 K N 2.248 122.339 120.400 -0.515 0.000 2.426 339 K HA 0.587 4.907 4.320 -0.000 0.000 0.251 339 K C -2.793 173.592 176.600 -0.359 0.000 0.941 339 K CA -1.849 54.176 56.287 -0.437 0.000 0.808 339 K CB 2.586 34.962 32.500 -0.208 0.000 1.265 339 K HN 0.114 nan 8.250 nan 0.000 0.432 340 P HA -0.113 nan 4.420 nan 0.000 0.220 340 P C 0.367 177.650 177.300 -0.028 0.000 1.152 340 P CA 0.448 63.381 63.100 -0.279 0.000 0.812 340 P CB 0.217 31.624 31.700 -0.490 0.000 0.792 341 L N 1.105 122.273 121.223 -0.092 0.000 2.290 341 L HA 0.252 4.592 4.340 -0.000 0.000 0.284 341 L C -0.388 176.486 176.870 0.007 0.000 1.078 341 L CA -0.244 54.574 54.840 -0.037 0.000 0.815 341 L CB -0.011 42.008 42.059 -0.066 0.000 1.162 341 L HN -0.171 nan 8.230 nan 0.000 0.435 342 L N 5.923 127.155 121.223 0.015 0.000 2.324 342 L HA 0.456 4.796 4.340 -0.000 0.000 0.274 342 L C -0.304 176.543 176.870 -0.038 0.000 1.012 342 L CA -0.402 54.449 54.840 0.018 0.000 0.859 342 L CB 1.050 43.130 42.059 0.036 0.000 1.224 342 L HN 0.605 nan 8.230 nan 0.000 0.429 343 E N 4.471 124.648 120.200 -0.038 0.000 2.146 343 E HA 0.427 4.777 4.350 -0.000 0.000 0.282 343 E C -0.770 175.789 176.600 -0.069 0.000 0.989 343 E CA -0.532 55.826 56.400 -0.069 0.000 0.799 343 E CB 1.955 31.628 29.700 -0.046 0.000 1.088 343 E HN 0.460 nan 8.360 nan 0.000 0.397 344 L N 2.420 123.557 121.223 -0.143 0.000 2.350 344 L HA 0.365 4.705 4.340 -0.000 0.000 0.275 344 L C 1.028 177.911 176.870 0.023 0.000 1.099 344 L CA -0.508 54.265 54.840 -0.112 0.000 0.808 344 L CB 0.834 42.680 42.059 -0.355 0.000 1.149 344 L HN 0.609 nan 8.230 nan 0.000 0.442 345 G N 0.868 109.743 108.800 0.125 0.000 2.509 345 G HA2 0.191 4.151 3.960 -0.000 0.000 0.269 345 G HA3 0.191 4.151 3.960 -0.000 0.000 0.269 345 G C 0.397 175.431 174.900 0.223 0.000 1.416 345 G CA -0.249 44.936 45.100 0.141 0.000 1.052 345 G HN 0.657 nan 8.290 nan 0.000 0.542 346 E N -0.288 120.004 120.200 0.154 0.000 2.476 346 E HA 0.219 4.569 4.350 -0.000 0.000 0.199 346 E C 1.361 178.019 176.600 0.095 0.000 1.021 346 E CA -0.064 56.414 56.400 0.130 0.000 0.907 346 E CB 0.394 30.147 29.700 0.090 0.000 0.974 346 E HN 0.457 nan 8.360 nan 0.000 0.489 347 A N 1.673 124.557 122.820 0.107 0.000 2.531 347 A HA 0.341 4.661 4.320 -0.000 0.000 0.236 347 A C 0.602 178.228 177.584 0.071 0.000 1.062 347 A CA 0.394 52.481 52.037 0.084 0.000 0.760 347 A CB 0.198 19.254 19.000 0.092 0.000 0.995 347 A HN 0.168 nan 8.150 nan 0.000 0.501 348 A N 1.943 124.788 122.820 0.042 0.000 2.445 348 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 348 A C 1.581 179.169 177.584 0.007 0.000 1.075 348 A CA 0.787 52.834 52.037 0.017 0.000 0.777 348 A CB -0.720 18.290 19.000 0.015 0.000 1.013 348 A HN 2.906 nan 8.150 nan 0.000 0.493 349 G N 0.118 108.898 108.800 -0.032 0.000 2.591 349 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.298 349 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.298 349 G C 0.766 175.574 174.900 -0.154 0.000 1.195 349 G CA 0.678 45.733 45.100 -0.076 0.000 0.989 349 G HN 1.163 nan 8.290 nan 0.000 0.551 350 L N 1.917 123.079 121.223 -0.103 0.000 2.477 350 L HA 0.402 4.741 4.340 -0.000 0.000 0.220 350 L C 2.255 179.162 176.870 0.061 0.000 1.106 350 L CA 0.899 55.680 54.840 -0.097 0.000 0.851 350 L CB -0.304 41.742 42.059 -0.022 0.000 0.994 350 L HN 2.004 nan 8.230 nan 0.000 0.462 351 G N 1.526 110.370 108.800 0.074 0.000 2.198 351 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 351 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 351 G C -0.043 174.905 174.900 0.081 0.000 1.042 351 G CA 0.036 45.192 45.100 0.092 0.000 0.791 351 G HN 0.287 nan 8.290 nan 0.000 0.502 352 I N 0.678 121.304 120.570 0.093 0.000 2.562 352 I HA 0.693 4.863 4.170 -0.000 0.000 0.301 352 I C 0.520 176.653 176.117 0.028 0.000 1.003 352 I CA -0.364 60.945 61.300 0.015 0.000 1.127 352 I CB 2.207 40.183 38.000 -0.041 0.000 1.304 352 I HN 0.402 nan 8.210 nan 0.000 0.446 353 S N 3.064 118.680 115.700 -0.140 0.000 2.607 353 S HA 0.690 5.160 4.470 -0.000 0.000 0.273 353 S C -1.108 173.382 174.600 -0.183 0.000 1.148 353 S CA -0.753 57.415 58.200 -0.052 0.000 0.833 353 S CB 2.434 65.688 63.200 0.090 0.000 1.130 353 S HN 0.735 nan 8.310 nan 0.000 0.470 354 H N 0.000 118.995 119.070 -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 55.987 56.048 -0.101 0.000 1.023 354 H CB 0.000 29.699 29.762 -0.104 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496