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 2p9e_1_C DATA FIRST_RESID 5 DATA SEQUENCE SLEKDKIKFL LVEGVHQKAL ESLRAAGYTN IEFHKGALDD EQLKESIRDA DATA SEQUENCE HFIGLRSRTH LTEDVINAAE KLVAIGAFAI GTNQVDLDAA AKRGIPVFNA DATA SEQUENCE PFSNTRSVAE LVIGELLLLL RGVPEANAKA HRGVWNKLAA GSFEARGKKL DATA SEQUENCE GIIGYGHIGT QLGILAESLG MYVYFYDIEN KLPLGNATQV QHLSDLLNMS DATA SEQUENCE DVVSLHVPEN PSTKNMMGAK EISLMKPGSL LINASRGTVV DIPALADALA DATA SEQUENCE SKHLAGAAID VFPTEPATNS DPFTSPLAEF DNVLLTPHIG GSTQEAQENI DATA SEQUENCE GLEVAGKLIK YSDNGSTLSA VNFPEVSLPL HVGRRLMHIH ENRPGVLTAL DATA SEQUENCE NKIFAEQGVN IAAQYLQTSA QMGYVVIDIE ADEDVAEKAL QAMKAIPGTI DATA SEQUENCE RARLLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.564 174.600 -0.061 0.000 1.055 5 S CA 0.000 58.149 58.200 -0.085 0.000 1.107 5 S CB 0.000 63.154 63.200 -0.077 0.000 0.593 6 L N 1.786 122.991 121.223 -0.029 0.000 2.270 6 L HA 0.302 4.794 4.340 0.253 0.000 0.210 6 L C 2.133 179.007 176.870 0.006 0.000 1.104 6 L CA 1.032 55.866 54.840 -0.011 0.000 0.804 6 L CB -0.191 41.867 42.059 -0.003 0.000 0.937 6 L HN 0.334 nan 8.230 nan 0.000 0.450 7 E N 0.300 120.507 120.200 0.011 0.000 2.049 7 E HA -0.271 4.231 4.350 0.253 0.000 0.198 7 E C 2.093 178.731 176.600 0.064 0.000 1.007 7 E CA 1.567 57.993 56.400 0.043 0.000 0.809 7 E CB 0.056 29.785 29.700 0.048 0.000 0.749 7 E HN 0.348 nan 8.360 nan 0.000 0.450 8 K N 0.610 121.019 120.400 0.014 0.000 2.057 8 K HA -0.158 4.314 4.320 0.253 0.000 0.207 8 K C 1.699 178.354 176.600 0.092 0.000 1.049 8 K CA 1.315 57.616 56.287 0.024 0.000 0.931 8 K CB -0.188 32.133 32.500 -0.298 0.000 0.714 8 K HN 0.210 nan 8.250 nan 0.000 0.440 9 D N 1.188 121.607 120.400 0.031 0.000 2.280 9 D HA -0.164 4.627 4.640 0.253 0.000 0.206 9 D C 1.672 178.003 176.300 0.051 0.000 0.988 9 D CA 0.969 54.993 54.000 0.040 0.000 0.886 9 D CB 0.067 40.874 40.800 0.012 0.000 0.914 9 D HN 0.106 nan 8.370 nan 0.000 0.473 10 K N 0.499 120.930 120.400 0.051 0.000 2.211 10 K HA -0.021 4.451 4.320 0.253 0.000 0.203 10 K C 0.991 177.525 176.600 -0.109 0.000 1.050 10 K CA 0.295 56.583 56.287 0.002 0.000 0.945 10 K CB 0.003 32.528 32.500 0.042 0.000 0.732 10 K HN 0.274 nan 8.250 nan 0.000 0.451 11 I N 2.350 122.937 120.570 0.028 0.000 2.287 11 I HA 0.083 4.405 4.170 0.253 0.000 0.290 11 I C 0.462 176.698 176.117 0.199 0.000 1.069 11 I CA -0.337 60.983 61.300 0.033 0.000 1.237 11 I CB 0.655 38.961 38.000 0.509 0.000 1.418 11 I HN -0.207 nan 8.210 nan 0.000 0.481 12 K N 6.891 127.285 120.400 -0.009 0.000 2.297 12 K HA 0.313 4.785 4.320 0.253 0.000 0.286 12 K C -1.136 175.581 176.600 0.195 0.000 1.053 12 K CA -0.253 56.108 56.287 0.124 0.000 0.940 12 K CB 0.557 33.059 32.500 0.004 0.000 1.019 12 K HN 0.320 nan 8.250 nan 0.000 0.475 13 F N 4.710 124.725 119.950 0.109 0.000 2.405 13 F HA 0.234 4.913 4.527 0.253 0.000 0.355 13 F C 0.134 175.962 175.800 0.048 0.000 1.121 13 F CA -1.007 57.060 58.000 0.112 0.000 1.112 13 F CB 1.034 40.066 39.000 0.053 0.000 1.126 13 F HN 0.344 nan 8.300 nan 0.000 0.481 14 L N 6.377 127.674 121.223 0.124 0.000 2.294 14 L HA 0.517 5.009 4.340 0.253 0.000 0.283 14 L C -1.337 175.533 176.870 0.001 0.000 1.015 14 L CA -0.318 54.529 54.840 0.010 0.000 0.831 14 L CB 0.560 42.598 42.059 -0.035 0.000 1.217 14 L HN 0.428 nan 8.230 nan 0.000 0.420 15 L N 6.753 127.937 121.223 -0.065 0.000 2.287 15 L HA 0.656 5.148 4.340 0.253 0.000 0.287 15 L C 0.014 176.743 176.870 -0.236 0.000 1.022 15 L CA -0.918 53.852 54.840 -0.117 0.000 0.814 15 L CB 1.446 43.460 42.059 -0.075 0.000 1.217 15 L HN 0.514 nan 8.230 nan 0.000 0.420 16 V N -0.645 119.167 119.914 -0.170 0.000 3.234 16 V HA 0.509 4.781 4.120 0.253 0.000 0.317 16 V C 0.502 176.495 176.094 -0.168 0.000 1.147 16 V CA -0.689 61.514 62.300 -0.162 0.000 1.037 16 V CB 1.466 33.245 31.823 -0.073 0.000 1.148 16 V HN 0.907 nan 8.190 nan 0.000 0.455 17 E N 0.093 120.212 120.200 -0.135 0.000 2.971 17 E HA -0.220 4.282 4.350 0.253 0.000 0.271 17 E C 0.858 177.389 176.600 -0.115 0.000 1.053 17 E CA 0.691 57.029 56.400 -0.103 0.000 0.817 17 E CB -1.893 27.769 29.700 -0.064 0.000 1.410 17 E HN 2.155 nan 8.360 nan 0.000 0.445 18 G N 0.222 108.887 108.800 -0.225 0.000 2.402 18 G HA2 -0.151 3.961 3.960 0.253 0.000 0.241 18 G HA3 -0.151 3.961 3.960 0.253 0.000 0.241 18 G C 0.268 175.174 174.900 0.010 0.000 0.871 18 G CA 0.267 45.283 45.100 -0.140 0.000 1.232 18 G HN 0.891 nan 8.290 nan 0.000 0.369 19 V N 0.710 120.635 119.914 0.019 0.000 3.134 19 V HA 0.834 5.106 4.120 0.253 0.000 0.313 19 V C 0.992 177.165 176.094 0.132 0.000 1.069 19 V CA -0.659 61.643 62.300 0.003 0.000 1.048 19 V CB 1.504 33.132 31.823 -0.325 0.000 1.119 19 V HN 0.872 nan 8.190 nan 0.000 0.461 20 H N 1.062 120.149 119.070 0.029 0.000 2.771 20 H HA 0.215 4.922 4.556 0.253 0.000 0.364 20 H C 1.165 176.490 175.328 -0.006 0.000 1.133 20 H CA 0.407 56.474 56.048 0.031 0.000 1.423 20 H CB 1.087 30.874 29.762 0.042 0.000 1.425 20 H HN 0.768 nan 8.280 nan 0.000 0.606 21 Q N 2.729 122.445 119.800 -0.140 0.000 2.079 21 Q HA -0.146 4.346 4.340 0.253 0.000 0.200 21 Q C 1.823 177.894 176.000 0.119 0.000 0.974 21 Q CA 1.042 56.795 55.803 -0.083 0.000 0.840 21 Q CB -0.041 28.569 28.738 -0.212 0.000 0.898 21 Q HN 0.651 nan 8.270 nan 0.000 0.430 22 K N 0.681 121.340 120.400 0.431 0.000 2.228 22 K HA -0.162 4.310 4.320 0.253 0.000 0.205 22 K C 1.927 178.588 176.600 0.101 0.000 1.045 22 K CA 1.172 57.570 56.287 0.184 0.000 0.931 22 K CB -0.319 32.219 32.500 0.063 0.000 0.727 22 K HN 0.197 nan 8.250 nan 0.000 0.458 23 A N 1.452 124.353 122.820 0.135 0.000 1.933 23 A HA -0.117 4.355 4.320 0.253 0.000 0.218 23 A C 2.182 179.779 177.584 0.021 0.000 1.175 23 A CA 1.119 53.225 52.037 0.116 0.000 0.628 23 A CB -0.433 18.625 19.000 0.096 0.000 0.814 23 A HN 0.191 nan 8.150 nan 0.000 0.444 24 L N -0.803 120.407 121.223 -0.022 0.000 2.217 24 L HA -0.103 4.389 4.340 0.253 0.000 0.211 24 L C 2.222 179.048 176.870 -0.074 0.000 1.107 24 L CA 1.230 56.022 54.840 -0.079 0.000 0.783 24 L CB -1.029 40.949 42.059 -0.136 0.000 0.919 24 L HN 0.501 nan 8.230 nan 0.000 0.442 25 E N 0.444 120.619 120.200 -0.042 0.000 2.107 25 E HA -0.106 4.396 4.350 0.253 0.000 0.191 25 E C 2.321 178.898 176.600 -0.039 0.000 0.982 25 E CA 1.166 57.543 56.400 -0.039 0.000 0.809 25 E CB 0.025 29.713 29.700 -0.019 0.000 0.756 25 E HN 0.371 nan 8.360 nan 0.000 0.459 26 S N 1.429 117.111 115.700 -0.030 0.000 2.355 26 S HA -0.096 4.526 4.470 0.253 0.000 0.222 26 S C 2.081 176.647 174.600 -0.058 0.000 1.031 26 S CA 0.661 58.842 58.200 -0.033 0.000 0.993 26 S CB -0.265 62.924 63.200 -0.018 0.000 0.859 26 S HN 0.180 nan 8.310 nan 0.000 0.453 27 L N 0.912 122.069 121.223 -0.110 0.000 2.021 27 L HA -0.211 4.281 4.340 0.253 0.000 0.215 27 L C 2.658 179.459 176.870 -0.114 0.000 1.074 27 L CA 1.618 56.334 54.840 -0.207 0.000 0.760 27 L CB -0.409 41.449 42.059 -0.334 0.000 0.889 27 L HN 0.288 nan 8.230 nan 0.000 0.433 28 R N -0.939 119.503 120.500 -0.096 0.000 2.210 28 R HA 0.088 4.580 4.340 0.253 0.000 0.203 28 R C 2.037 178.297 176.300 -0.066 0.000 1.010 28 R CA 0.683 56.735 56.100 -0.079 0.000 1.008 28 R CB -0.110 30.145 30.300 -0.075 0.000 0.923 28 R HN 0.252 nan 8.270 nan 0.000 0.469 29 A N 0.680 123.468 122.820 -0.054 0.000 2.239 29 A HA 0.143 4.615 4.320 0.253 0.000 0.209 29 A C 1.441 178.998 177.584 -0.045 0.000 1.171 29 A CA 1.092 53.101 52.037 -0.046 0.000 0.768 29 A CB -0.005 18.975 19.000 -0.034 0.000 0.790 29 A HN 0.288 nan 8.150 nan 0.000 0.478 30 A N -2.182 120.612 122.820 -0.044 0.000 2.610 30 A HA 0.495 4.967 4.320 0.253 0.000 0.291 30 A C 1.419 178.877 177.584 -0.210 0.000 1.116 30 A CA 0.767 52.777 52.037 -0.044 0.000 0.963 30 A CB -0.626 18.435 19.000 0.101 0.000 1.220 30 A HN 1.692 nan 8.150 nan 0.000 0.530 31 G N -1.208 107.467 108.800 -0.209 0.000 2.184 31 G HA2 -0.327 3.785 3.960 0.253 0.000 0.264 31 G HA3 -0.327 3.785 3.960 0.253 0.000 0.264 31 G C -0.099 174.573 174.900 -0.379 0.000 0.975 31 G CA 0.652 45.576 45.100 -0.293 0.000 0.642 31 G HN 0.511 nan 8.290 nan 0.000 0.536 32 Y N 0.574 120.799 120.300 -0.125 0.000 2.425 32 Y HA 0.587 5.289 4.550 0.253 0.000 0.347 32 Y C 1.543 177.330 175.900 -0.188 0.000 0.976 32 Y CA 0.557 58.554 58.100 -0.172 0.000 1.190 32 Y CB 1.841 40.082 38.460 -0.364 0.000 1.136 32 Y HN 0.034 nan 8.280 nan 0.000 0.517 33 T N 0.946 115.515 114.554 0.026 0.000 2.966 33 T HA 0.016 4.518 4.350 0.253 0.000 0.254 33 T C 0.361 175.079 174.700 0.031 0.000 0.961 33 T CA -0.307 61.790 62.100 -0.005 0.000 0.915 33 T CB -0.014 68.841 68.868 -0.021 0.000 1.186 33 T HN 0.607 nan 8.240 nan 0.000 0.505 34 N N 2.014 120.767 118.700 0.088 0.000 2.448 34 N HA 0.278 5.170 4.740 0.253 0.000 0.250 34 N C -1.095 174.503 175.510 0.147 0.000 1.136 34 N CA 0.062 53.171 53.050 0.099 0.000 0.953 34 N CB 0.116 38.663 38.487 0.100 0.000 1.251 34 N HN 0.300 nan 8.380 nan 0.000 0.502 35 I N 2.394 123.026 120.570 0.103 0.000 2.410 35 I HA 0.106 4.428 4.170 0.253 0.000 0.286 35 I C -0.012 176.168 176.117 0.106 0.000 1.009 35 I CA -0.586 60.790 61.300 0.128 0.000 1.111 35 I CB 1.833 39.873 38.000 0.066 0.000 1.262 35 I HN 0.498 nan 8.210 nan 0.000 0.443 36 E N 7.273 127.518 120.200 0.075 0.000 2.026 36 E HA 0.148 4.650 4.350 0.253 0.000 0.253 36 E C -0.901 175.634 176.600 -0.109 0.000 1.056 36 E CA -0.654 55.728 56.400 -0.029 0.000 0.927 36 E CB 0.423 30.051 29.700 -0.120 0.000 1.172 36 E HN 0.432 nan 8.360 nan 0.000 0.445 37 F N 4.110 124.012 119.950 -0.080 0.000 2.504 37 F HA 0.152 4.831 4.527 0.253 0.000 0.369 37 F C -0.480 175.402 175.800 0.137 0.000 1.082 37 F CA 0.220 58.201 58.000 -0.031 0.000 1.216 37 F CB 0.314 39.313 39.000 -0.001 0.000 1.108 37 F HN 0.449 nan 8.300 nan 0.000 0.554 38 H N 4.207 122.748 119.070 -0.881 0.000 2.690 38 H HA 0.311 5.019 4.556 0.253 0.000 0.368 38 H C 0.387 175.164 175.328 -0.918 0.000 1.150 38 H CA -1.107 54.551 56.048 -0.650 0.000 1.174 38 H CB 2.003 31.583 29.762 -0.303 0.000 1.684 38 H HN 0.505 nan 8.280 nan 0.000 0.538 39 K N 0.912 121.098 120.400 -0.357 0.000 2.262 39 K HA 0.206 4.678 4.320 0.253 0.000 0.200 39 K C 0.797 177.306 176.600 -0.153 0.000 1.049 39 K CA 0.694 56.848 56.287 -0.222 0.000 0.979 39 K CB 0.456 32.942 32.500 -0.023 0.000 0.773 39 K HN 0.720 nan 8.250 nan 0.000 0.474 40 G N -1.260 107.461 108.800 -0.131 0.000 3.211 40 G HA2 0.655 4.767 3.960 0.253 0.000 0.262 40 G HA3 0.655 4.767 3.960 0.253 0.000 0.262 40 G C -1.308 173.552 174.900 -0.067 0.000 1.352 40 G CA -0.461 44.589 45.100 -0.083 0.000 1.004 40 G HN 0.208 nan 8.290 nan 0.000 0.559 41 A N -1.160 121.633 122.820 -0.046 0.000 2.286 41 A HA 0.731 5.203 4.320 0.253 0.000 0.286 41 A C -0.963 176.613 177.584 -0.012 0.000 1.097 41 A CA -0.165 51.856 52.037 -0.027 0.000 0.821 41 A CB 0.723 19.712 19.000 -0.019 0.000 1.076 41 A HN 0.444 nan 8.150 nan 0.000 0.490 42 L N 1.486 122.714 121.223 0.009 0.000 2.346 42 L HA 0.408 4.900 4.340 0.253 0.000 0.274 42 L C 0.088 176.971 176.870 0.021 0.000 1.007 42 L CA -0.559 54.294 54.840 0.021 0.000 0.818 42 L CB 1.584 43.677 42.059 0.056 0.000 1.284 42 L HN 0.873 nan 8.230 nan 0.000 0.424 43 D N -0.078 120.331 120.400 0.015 0.000 2.423 43 D HA 0.097 4.889 4.640 0.253 0.000 0.255 43 D C 0.341 176.653 176.300 0.020 0.000 1.174 43 D CA -0.330 53.681 54.000 0.017 0.000 1.008 43 D CB 0.819 41.625 40.800 0.009 0.000 1.101 43 D HN 0.476 nan 8.370 nan 0.000 0.516 44 D N 0.059 120.470 120.400 0.017 0.000 2.092 44 D HA -0.179 4.613 4.640 0.253 0.000 0.193 44 D C 1.595 177.903 176.300 0.014 0.000 0.994 44 D CA 1.257 55.267 54.000 0.016 0.000 0.828 44 D CB 0.029 40.835 40.800 0.011 0.000 0.963 44 D HN 0.611 nan 8.370 nan 0.000 0.450 45 E N 0.794 121.001 120.200 0.011 0.000 2.118 45 E HA -0.216 4.286 4.350 0.253 0.000 0.195 45 E C 2.180 178.791 176.600 0.018 0.000 0.992 45 E CA 0.820 57.227 56.400 0.011 0.000 0.804 45 E CB -0.180 29.525 29.700 0.008 0.000 0.741 45 E HN 0.369 nan 8.360 nan 0.000 0.458 46 Q N 0.102 119.914 119.800 0.021 0.000 2.167 46 Q HA -0.128 4.364 4.340 0.253 0.000 0.202 46 Q C 2.093 178.120 176.000 0.045 0.000 0.970 46 Q CA 0.693 56.517 55.803 0.034 0.000 0.855 46 Q CB 0.080 28.837 28.738 0.031 0.000 0.911 46 Q HN 0.131 nan 8.270 nan 0.000 0.438 47 L N 0.219 121.462 121.223 0.033 0.000 2.049 47 L HA -0.086 4.406 4.340 0.253 0.000 0.203 47 L C 1.647 178.528 176.870 0.018 0.000 1.074 47 L CA 1.721 56.578 54.840 0.028 0.000 0.749 47 L CB -0.255 41.819 42.059 0.025 0.000 0.907 47 L HN -0.093 nan 8.230 nan 0.000 0.439 48 K N 0.128 120.537 120.400 0.015 0.000 2.002 48 K HA -0.187 4.285 4.320 0.253 0.000 0.209 48 K C 2.051 178.658 176.600 0.012 0.000 1.048 48 K CA 1.525 57.818 56.287 0.010 0.000 0.930 48 K CB -0.563 31.942 32.500 0.008 0.000 0.714 48 K HN 0.349 nan 8.250 nan 0.000 0.438 49 E N 0.567 120.777 120.200 0.017 0.000 2.035 49 E HA -0.200 4.302 4.350 0.253 0.000 0.204 49 E C 1.643 178.257 176.600 0.023 0.000 1.025 49 E CA 2.431 58.843 56.400 0.021 0.000 0.835 49 E CB -0.152 29.564 29.700 0.026 0.000 0.764 49 E HN 0.368 nan 8.360 nan 0.000 0.457 50 S N -0.586 115.131 115.700 0.029 0.000 2.561 50 S HA 0.016 4.638 4.470 0.253 0.000 0.225 50 S C 1.846 176.444 174.600 -0.004 0.000 0.977 50 S CA 0.284 58.496 58.200 0.019 0.000 0.926 50 S CB 0.148 63.369 63.200 0.035 0.000 0.769 50 S HN 0.354 nan 8.310 nan 0.000 0.533 51 I N 1.756 122.326 120.570 -0.000 0.000 3.708 51 I HA 0.066 4.388 4.170 0.253 0.000 0.302 51 I C 2.349 178.465 176.117 -0.001 0.000 1.255 51 I CA 0.133 61.429 61.300 -0.006 0.000 1.362 51 I CB 0.058 38.053 38.000 -0.009 0.000 1.100 51 I HN 0.321 nan 8.210 nan 0.000 0.434 52 R N 1.516 122.018 120.500 0.003 0.000 2.139 52 R HA -0.214 4.278 4.340 0.253 0.000 0.243 52 R C 0.805 177.113 176.300 0.014 0.000 1.145 52 R CA 2.309 58.412 56.100 0.005 0.000 0.976 52 R CB -0.952 29.352 30.300 0.007 0.000 0.866 52 R HN 0.498 nan 8.270 nan 0.000 0.449 53 D N -0.672 119.739 120.400 0.018 0.000 2.538 53 D HA 0.288 5.080 4.640 0.253 0.000 0.231 53 D C -0.502 175.823 176.300 0.042 0.000 1.229 53 D CA -0.337 53.683 54.000 0.033 0.000 0.828 53 D CB 0.791 41.602 40.800 0.018 0.000 1.035 53 D HN 0.393 nan 8.370 nan 0.000 0.495 54 A N 0.444 123.285 122.820 0.035 0.000 2.454 54 A HA 0.202 4.674 4.320 0.253 0.000 0.260 54 A C 0.381 178.022 177.584 0.095 0.000 1.106 54 A CA -0.218 51.842 52.037 0.038 0.000 0.780 54 A CB 0.302 19.302 19.000 0.001 0.000 1.044 54 A HN 0.321 nan 8.150 nan 0.000 0.498 55 H N 1.669 120.677 119.070 -0.103 0.000 2.399 55 H HA 0.273 4.981 4.556 0.253 0.000 0.300 55 H C -0.369 174.607 175.328 -0.587 0.000 1.048 55 H CA 0.937 56.836 56.048 -0.248 0.000 1.370 55 H CB 0.031 29.751 29.762 -0.071 0.000 1.428 55 H HN 0.626 nan 8.280 nan 0.000 0.534 56 F N -0.853 118.894 119.950 -0.339 0.000 2.611 56 F HA 0.465 5.144 4.527 0.253 0.000 0.324 56 F C -0.320 175.316 175.800 -0.273 0.000 1.061 56 F CA -1.129 56.601 58.000 -0.451 0.000 0.954 56 F CB 2.322 40.695 39.000 -1.044 0.000 1.301 56 F HN -0.211 nan 8.300 nan 0.000 0.482 57 I N 0.498 121.101 120.570 0.055 0.000 2.656 57 I HA 0.702 5.024 4.170 0.253 0.000 0.292 57 I C -1.130 175.098 176.117 0.185 0.000 1.144 57 I CA -0.409 60.940 61.300 0.082 0.000 1.038 57 I CB 1.945 39.962 38.000 0.029 0.000 1.244 57 I HN 0.653 nan 8.210 nan 0.000 0.420 58 G N 7.450 116.381 108.800 0.218 0.000 2.417 58 G HA2 0.620 4.732 3.960 0.253 0.000 0.320 58 G HA3 0.620 4.732 3.960 0.253 0.000 0.320 58 G C -1.030 173.967 174.900 0.163 0.000 1.204 58 G CA -0.550 44.768 45.100 0.364 0.000 0.923 58 G HN 0.717 nan 8.290 nan 0.000 0.466 59 L N 0.064 121.408 121.223 0.202 0.000 2.171 59 L HA 0.863 5.355 4.340 0.253 0.000 0.253 59 L C 0.225 177.158 176.870 0.105 0.000 1.054 59 L CA -1.482 53.406 54.840 0.080 0.000 0.927 59 L CB 1.390 43.467 42.059 0.029 0.000 1.513 59 L HN 0.436 nan 8.230 nan 0.000 0.471 60 R N -0.706 119.810 120.500 0.028 0.000 3.117 60 R HA 0.353 4.845 4.340 0.253 0.000 0.137 60 R C 1.122 177.401 176.300 -0.036 0.000 0.996 60 R CA 0.157 56.271 56.100 0.023 0.000 0.604 60 R CB 0.287 30.595 30.300 0.012 0.000 1.038 60 R HN 0.804 nan 8.270 nan 0.000 0.389 61 S N 0.301 115.966 115.700 -0.060 0.000 2.486 61 S HA 0.069 4.691 4.470 0.253 0.000 0.220 61 S C 1.498 175.993 174.600 -0.176 0.000 1.011 61 S CA 0.231 58.370 58.200 -0.102 0.000 0.921 61 S CB 0.219 63.366 63.200 -0.088 0.000 0.785 61 S HN 0.272 nan 8.310 nan 0.000 0.517 62 R N 0.999 121.405 120.500 -0.157 0.000 2.156 62 R HA 0.186 4.678 4.340 0.253 0.000 0.207 62 R C 0.251 176.378 176.300 -0.290 0.000 1.040 62 R CA 0.519 56.506 56.100 -0.189 0.000 1.013 62 R CB -1.037 29.215 30.300 -0.079 0.000 0.931 62 R HN 0.334 nan 8.270 nan 0.000 0.465 63 T N 2.417 116.854 114.554 -0.195 0.000 2.867 63 T HA 0.009 4.511 4.350 0.253 0.000 0.297 63 T C 0.010 174.573 174.700 -0.227 0.000 0.989 63 T CA 0.431 62.449 62.100 -0.137 0.000 1.159 63 T CB 0.253 69.080 68.868 -0.068 0.000 0.928 63 T HN 0.097 nan 8.240 nan 0.000 0.538 64 H N 4.128 123.196 119.070 -0.003 0.000 2.690 64 H HA 0.225 4.932 4.556 0.253 0.000 0.280 64 H C -0.006 175.318 175.328 -0.007 0.000 1.138 64 H CA -0.408 55.637 56.048 -0.005 0.000 1.241 64 H CB 0.480 30.239 29.762 -0.005 0.000 1.394 64 H HN 0.407 nan 8.280 nan 0.000 0.489 65 L N 4.741 126.003 121.223 0.064 0.000 2.448 65 L HA 0.030 4.522 4.340 0.253 0.000 0.278 65 L C 1.041 177.935 176.870 0.040 0.000 1.201 65 L CA -0.066 54.795 54.840 0.036 0.000 1.036 65 L CB -0.157 41.905 42.059 0.005 0.000 1.325 65 L HN 0.555 nan 8.230 nan 0.000 0.441 66 T N -2.007 112.572 114.554 0.041 0.000 2.852 66 T HA 0.128 4.630 4.350 0.253 0.000 0.281 66 T C 1.117 175.821 174.700 0.005 0.000 0.993 66 T CA -0.464 61.651 62.100 0.025 0.000 0.933 66 T CB 1.298 70.176 68.868 0.017 0.000 1.187 66 T HN 0.605 nan 8.240 nan 0.000 0.559 67 E N 0.211 120.410 120.200 -0.001 0.000 2.110 67 E HA -0.262 4.240 4.350 0.253 0.000 0.193 67 E C 1.664 178.259 176.600 -0.008 0.000 0.988 67 E CA 1.648 58.043 56.400 -0.008 0.000 0.804 67 E CB -0.352 29.343 29.700 -0.009 0.000 0.745 67 E HN 0.770 nan 8.360 nan 0.000 0.458 68 D N 0.685 121.081 120.400 -0.005 0.000 2.178 68 D HA -0.133 4.659 4.640 0.253 0.000 0.202 68 D C 1.955 178.252 176.300 -0.004 0.000 0.974 68 D CA 1.399 55.395 54.000 -0.006 0.000 0.841 68 D CB 0.203 41.000 40.800 -0.006 0.000 0.953 68 D HN 0.296 nan 8.370 nan 0.000 0.478 69 V N 1.154 121.067 119.914 -0.001 0.000 2.346 69 V HA -0.119 4.153 4.120 0.253 0.000 0.244 69 V C 2.822 178.910 176.094 -0.010 0.000 1.037 69 V CA 0.775 63.074 62.300 -0.000 0.000 1.029 69 V CB -0.398 31.430 31.823 0.009 0.000 0.663 69 V HN 0.176 nan 8.190 nan 0.000 0.454 70 I N 1.028 121.590 120.570 -0.014 0.000 2.226 70 I HA -0.262 4.060 4.170 0.253 0.000 0.245 70 I C 1.772 177.872 176.117 -0.029 0.000 1.100 70 I CA 1.948 63.232 61.300 -0.027 0.000 1.374 70 I CB -0.564 37.417 38.000 -0.031 0.000 1.057 70 I HN 0.404 nan 8.210 nan 0.000 0.413 71 N N 0.331 119.018 118.700 -0.021 0.000 2.501 71 N HA 0.066 4.958 4.740 0.253 0.000 0.195 71 N C 1.223 176.722 175.510 -0.018 0.000 1.213 71 N CA 0.430 53.468 53.050 -0.021 0.000 0.864 71 N CB 0.250 38.728 38.487 -0.016 0.000 0.999 71 N HN 0.337 nan 8.380 nan 0.000 0.454 72 A N 0.556 123.366 122.820 -0.017 0.000 1.988 72 A HA 0.458 4.930 4.320 0.253 0.000 0.201 72 A C 1.091 178.665 177.584 -0.017 0.000 1.410 72 A CA -0.119 51.910 52.037 -0.014 0.000 0.832 72 A CB -0.253 18.742 19.000 -0.008 0.000 0.981 72 A HN 0.211 nan 8.150 nan 0.000 0.492 73 A N 1.083 123.889 122.820 -0.022 0.000 2.509 73 A HA 0.090 4.562 4.320 0.253 0.000 0.282 73 A C 0.770 178.332 177.584 -0.036 0.000 1.159 73 A CA 0.617 52.636 52.037 -0.029 0.000 0.863 73 A CB -0.539 18.436 19.000 -0.041 0.000 1.029 73 A HN 0.598 nan 8.150 nan 0.000 0.542 74 E N 1.451 121.638 120.200 -0.021 0.000 2.208 74 E HA -0.086 4.415 4.350 0.253 0.000 0.193 74 E C 0.937 177.516 176.600 -0.035 0.000 0.988 74 E CA 0.977 57.364 56.400 -0.022 0.000 0.828 74 E CB 0.088 29.785 29.700 -0.004 0.000 0.763 74 E HN 0.750 nan 8.360 nan 0.000 0.478 75 K N 0.280 120.664 120.400 -0.026 0.000 2.506 75 K HA 0.139 4.611 4.320 0.253 0.000 0.204 75 K C -0.581 175.905 176.600 -0.189 0.000 1.045 75 K CA -0.343 55.908 56.287 -0.060 0.000 1.074 75 K CB 0.734 33.324 32.500 0.149 0.000 0.842 75 K HN -0.055 nan 8.250 nan 0.000 0.514 76 L N 1.686 122.809 121.223 -0.166 0.000 2.485 76 L HA 0.009 4.501 4.340 0.253 0.000 0.279 76 L C 0.889 177.562 176.870 -0.328 0.000 1.124 76 L CA 0.418 55.123 54.840 -0.225 0.000 0.888 76 L CB 0.764 42.732 42.059 -0.152 0.000 1.217 76 L HN -0.076 nan 8.230 nan 0.000 0.464 77 V N 4.795 124.394 119.914 -0.525 0.000 2.599 77 V HA 0.394 4.666 4.120 0.253 0.000 0.245 77 V C 0.854 176.679 176.094 -0.449 0.000 1.046 77 V CA 1.097 63.053 62.300 -0.573 0.000 1.065 77 V CB 0.033 31.303 31.823 -0.922 0.000 0.703 77 V HN 0.911 nan 8.190 nan 0.000 0.464 78 A N -0.978 121.538 122.820 -0.505 0.000 2.601 78 A HA 0.742 5.214 4.320 0.253 0.000 0.291 78 A C -1.616 175.936 177.584 -0.055 0.000 1.075 78 A CA -0.435 51.484 52.037 -0.196 0.000 0.671 78 A CB 1.298 20.372 19.000 0.124 0.000 1.277 78 A HN 0.080 nan 8.150 nan 0.000 0.417 79 I N 0.870 121.450 120.570 0.016 0.000 2.499 79 I HA 0.544 4.866 4.170 0.253 0.000 0.288 79 I C 0.452 176.659 176.117 0.149 0.000 1.048 79 I CA -0.534 60.798 61.300 0.053 0.000 1.062 79 I CB 2.375 40.356 38.000 -0.031 0.000 1.238 79 I HN 0.818 nan 8.210 nan 0.000 0.426 80 G N 4.553 113.465 108.800 0.187 0.000 2.370 80 G HA2 0.628 4.740 3.960 0.253 0.000 0.317 80 G HA3 0.628 4.740 3.960 0.253 0.000 0.317 80 G C -0.435 174.536 174.900 0.120 0.000 1.162 80 G CA -0.441 44.730 45.100 0.119 0.000 0.922 80 G HN 0.718 nan 8.290 nan 0.000 0.454 81 A N 2.763 125.601 122.820 0.029 0.000 2.506 81 A HA 0.552 5.024 4.320 0.253 0.000 0.320 81 A C -0.364 177.233 177.584 0.022 0.000 1.424 81 A CA -0.633 51.434 52.037 0.051 0.000 1.044 81 A CB -0.239 18.761 19.000 -0.000 0.000 1.140 81 A HN 0.605 nan 8.150 nan 0.000 0.538 82 F N 2.526 122.487 119.950 0.018 0.000 2.651 82 F HA 0.415 5.093 4.527 0.253 0.000 0.367 82 F C 1.038 176.839 175.800 0.001 0.000 1.225 82 F CA 1.297 59.309 58.000 0.019 0.000 1.310 82 F CB -0.324 38.698 39.000 0.038 0.000 1.724 82 F HN 0.746 nan 8.300 nan 0.000 0.662 83 A N 0.618 123.470 122.820 0.054 0.000 2.483 83 A HA 0.480 4.952 4.320 0.253 0.000 0.294 83 A C 0.495 178.055 177.584 -0.040 0.000 1.077 83 A CA -0.774 51.274 52.037 0.018 0.000 0.633 83 A CB 0.341 19.351 19.000 0.017 0.000 1.318 83 A HN 0.158 nan 8.150 nan 0.000 0.455 84 I N 0.776 121.318 120.570 -0.046 0.000 2.235 84 I HA 0.051 4.373 4.170 0.253 0.000 0.241 84 I C 1.812 177.888 176.117 -0.070 0.000 1.085 84 I CA 1.481 62.732 61.300 -0.082 0.000 1.378 84 I CB -0.733 37.231 38.000 -0.060 0.000 1.076 84 I HN 0.752 nan 8.210 nan 0.000 0.415 85 G N 0.626 109.402 108.800 -0.041 0.000 2.594 85 G HA2 0.265 4.377 3.960 0.253 0.000 0.243 85 G HA3 0.265 4.377 3.960 0.253 0.000 0.243 85 G C 0.564 175.441 174.900 -0.039 0.000 1.229 85 G CA 0.406 45.485 45.100 -0.034 0.000 0.843 85 G HN 0.401 nan 8.290 nan 0.000 0.578 86 T N -2.238 112.295 114.554 -0.035 0.000 3.192 86 T HA 0.121 4.623 4.350 0.253 0.000 0.295 86 T C 1.257 175.944 174.700 -0.023 0.000 0.947 86 T CA -0.350 61.729 62.100 -0.036 0.000 0.916 86 T CB 0.095 68.934 68.868 -0.049 0.000 1.169 86 T HN 0.359 nan 8.240 nan 0.000 0.540 87 N N 2.684 121.378 118.700 -0.011 0.000 2.223 87 N HA -0.118 4.774 4.740 0.253 0.000 0.185 87 N C 2.024 177.552 175.510 0.029 0.000 1.016 87 N CA 1.442 54.499 53.050 0.011 0.000 0.863 87 N CB -0.091 38.410 38.487 0.023 0.000 0.983 87 N HN 0.653 nan 8.380 nan 0.000 0.429 88 Q N 0.785 120.584 119.800 -0.001 0.000 2.436 88 Q HA 0.013 4.505 4.340 0.253 0.000 0.209 88 Q C 0.472 176.483 176.000 0.019 0.000 0.965 88 Q CA 0.516 56.311 55.803 -0.013 0.000 0.910 88 Q CB -0.502 28.106 28.738 -0.216 0.000 0.980 88 Q HN 0.043 nan 8.270 nan 0.000 0.491 89 V N 2.295 122.209 119.914 0.001 0.000 2.612 89 V HA 0.213 4.485 4.120 0.253 0.000 0.301 89 V C -0.350 175.743 176.094 -0.002 0.000 1.046 89 V CA -0.863 61.434 62.300 -0.004 0.000 0.946 89 V CB 1.769 33.576 31.823 -0.027 0.000 1.003 89 V HN 0.097 nan 8.190 nan 0.000 0.459 90 D N 3.234 123.631 120.400 -0.005 0.000 2.456 90 D HA 0.305 5.097 4.640 0.253 0.000 0.219 90 D C 0.852 177.137 176.300 -0.025 0.000 1.126 90 D CA -0.125 53.870 54.000 -0.008 0.000 0.890 90 D CB 1.063 41.861 40.800 -0.003 0.000 1.025 90 D HN 0.440 nan 8.370 nan 0.000 0.511 91 L N 2.275 123.480 121.223 -0.030 0.000 2.072 91 L HA -0.073 4.419 4.340 0.253 0.000 0.205 91 L C 1.774 178.623 176.870 -0.034 0.000 1.079 91 L CA 0.618 55.432 54.840 -0.044 0.000 0.752 91 L CB -0.177 41.853 42.059 -0.048 0.000 0.906 91 L HN 0.272 nan 8.230 nan 0.000 0.436 92 D N 0.904 121.290 120.400 -0.024 0.000 2.097 92 D HA -0.186 4.606 4.640 0.253 0.000 0.195 92 D C 2.277 178.567 176.300 -0.017 0.000 0.989 92 D CA 1.644 55.633 54.000 -0.019 0.000 0.827 92 D CB -0.051 40.740 40.800 -0.015 0.000 0.966 92 D HN 0.315 nan 8.370 nan 0.000 0.456 93 A N 1.558 124.367 122.820 -0.019 0.000 1.884 93 A HA -0.192 4.280 4.320 0.253 0.000 0.219 93 A C 2.369 179.935 177.584 -0.029 0.000 1.197 93 A CA 2.860 54.885 52.037 -0.021 0.000 0.637 93 A CB -0.842 18.146 19.000 -0.019 0.000 0.827 93 A HN 0.285 nan 8.150 nan 0.000 0.450 94 A N -0.876 121.918 122.820 -0.043 0.000 2.014 94 A HA 0.307 4.779 4.320 0.253 0.000 0.218 94 A C 2.404 179.961 177.584 -0.046 0.000 1.163 94 A CA 1.725 53.723 52.037 -0.066 0.000 0.652 94 A CB -0.761 18.178 19.000 -0.101 0.000 0.808 94 A HN 1.023 nan 8.150 nan 0.000 0.449 95 A N 0.219 123.033 122.820 -0.009 0.000 1.872 95 A HA -0.101 4.371 4.320 0.253 0.000 0.214 95 A C 2.037 179.651 177.584 0.049 0.000 1.187 95 A CA 1.602 53.678 52.037 0.065 0.000 0.614 95 A CB -0.443 18.582 19.000 0.042 0.000 0.826 95 A HN 0.481 nan 8.150 nan 0.000 0.442 96 K N -0.646 119.759 120.400 0.010 0.000 2.127 96 K HA -0.173 4.299 4.320 0.253 0.000 0.208 96 K C 1.961 178.565 176.600 0.008 0.000 1.047 96 K CA 1.711 58.001 56.287 0.005 0.000 0.927 96 K CB -0.168 32.330 32.500 -0.005 0.000 0.716 96 K HN 0.332 nan 8.250 nan 0.000 0.450 97 R N -0.580 119.916 120.500 -0.006 0.000 2.310 97 R HA 0.016 4.508 4.340 0.253 0.000 0.202 97 R C 0.455 176.740 176.300 -0.024 0.000 0.933 97 R CA 0.485 56.571 56.100 -0.024 0.000 1.054 97 R CB 0.515 30.784 30.300 -0.052 0.000 0.985 97 R HN 0.387 nan 8.270 nan 0.000 0.489 98 G N 1.613 110.436 108.800 0.040 0.000 2.212 98 G HA2 -0.252 3.860 3.960 0.253 0.000 0.255 98 G HA3 -0.252 3.860 3.960 0.253 0.000 0.255 98 G C -0.100 174.651 174.900 -0.247 0.000 1.062 98 G CA -0.190 44.953 45.100 0.071 0.000 0.815 98 G HN 0.242 nan 8.290 nan 0.000 0.497 99 I N 1.210 121.606 120.570 -0.290 0.000 2.359 99 I HA 0.314 4.636 4.170 0.253 0.000 0.284 99 I C -2.084 173.669 176.117 -0.607 0.000 1.018 99 I CA -2.553 58.493 61.300 -0.424 0.000 1.173 99 I CB 1.990 39.836 38.000 -0.256 0.000 1.326 99 I HN -0.135 nan 8.210 nan 0.000 0.462 100 P HA 0.128 nan 4.420 nan 0.000 0.269 100 P C -0.769 176.105 177.300 -0.710 0.000 1.215 100 P CA -0.135 62.329 63.100 -1.059 0.000 0.780 100 P CB 0.856 31.721 31.700 -1.391 0.000 0.898 101 V N 3.398 122.894 119.914 -0.697 0.000 2.540 101 V HA 0.499 4.771 4.120 0.253 0.000 0.302 101 V C -0.351 175.387 176.094 -0.593 0.000 1.035 101 V CA -0.241 61.788 62.300 -0.452 0.000 0.873 101 V CB 1.020 32.686 31.823 -0.262 0.000 0.992 101 V HN 0.371 nan 8.190 nan 0.000 0.428 102 F N 3.553 123.413 119.950 -0.149 0.000 2.618 102 F HA 0.747 5.426 4.527 0.253 0.000 0.332 102 F C 0.346 176.048 175.800 -0.163 0.000 1.061 102 F CA -0.623 57.286 58.000 -0.153 0.000 0.974 102 F CB 2.087 40.989 39.000 -0.162 0.000 1.310 102 F HN 0.655 nan 8.300 nan 0.000 0.491 103 N N 0.383 119.110 118.700 0.046 0.000 3.522 103 N HA 0.708 5.600 4.740 0.253 0.000 0.328 103 N C -1.982 173.461 175.510 -0.111 0.000 1.623 103 N CA -0.863 52.145 53.050 -0.070 0.000 0.812 103 N CB 1.349 39.786 38.487 -0.083 0.000 2.008 103 N HN 0.654 nan 8.380 nan 0.000 0.601 104 A N 0.424 123.159 122.820 -0.142 0.000 2.763 104 A HA 0.508 4.980 4.320 0.253 0.000 0.325 104 A C -1.979 175.460 177.584 -0.242 0.000 1.209 104 A CA -1.189 50.755 52.037 -0.156 0.000 0.764 104 A CB 0.815 19.745 19.000 -0.117 0.000 1.120 104 A HN 0.594 nan 8.150 nan 0.000 0.463 105 P HA -0.052 nan 4.420 nan 0.000 0.219 105 P C 0.168 176.920 177.300 -0.914 0.000 1.150 105 P CA 1.260 63.883 63.100 -0.796 0.000 0.814 105 P CB -0.003 30.966 31.700 -1.220 0.000 0.787 106 F N -1.185 118.655 119.950 -0.183 0.000 2.749 106 F HA 0.308 4.987 4.527 0.252 0.000 0.380 106 F C 1.390 177.083 175.800 -0.178 0.000 1.365 106 F CA -0.283 57.553 58.000 -0.273 0.000 1.186 106 F CB 0.321 38.944 39.000 -0.630 0.000 1.080 106 F HN -0.287 nan 8.300 nan 0.000 0.513 107 S N -0.244 115.451 115.700 -0.009 0.000 2.540 107 S HA 0.054 4.676 4.470 0.253 0.000 0.218 107 S C 1.456 176.061 174.600 0.008 0.000 0.977 107 S CA 0.258 58.456 58.200 -0.003 0.000 0.918 107 S CB -0.043 63.141 63.200 -0.026 0.000 0.806 107 S HN 0.316 nan 8.310 nan 0.000 0.496 108 N N 0.958 119.669 118.700 0.018 0.000 2.236 108 N HA 0.119 5.011 4.740 0.253 0.000 0.196 108 N C 1.260 176.790 175.510 0.033 0.000 1.114 108 N CA 0.244 53.311 53.050 0.029 0.000 0.859 108 N CB -0.060 38.450 38.487 0.038 0.000 0.982 108 N HN 0.189 nan 8.380 nan 0.000 0.493 109 T N 0.816 115.392 114.554 0.037 0.000 2.565 109 T HA -0.263 4.239 4.350 0.253 0.000 0.265 109 T C 2.008 176.708 174.700 -0.001 0.000 1.082 109 T CA 1.690 63.806 62.100 0.026 0.000 1.173 109 T CB -0.066 68.821 68.868 0.032 0.000 0.864 109 T HN 0.209 nan 8.240 nan 0.000 0.425 110 R N 0.954 121.453 120.500 -0.002 0.000 2.092 110 R HA 0.046 4.538 4.340 0.253 0.000 0.231 110 R C 2.606 178.907 176.300 0.002 0.000 1.119 110 R CA 1.569 57.664 56.100 -0.008 0.000 0.970 110 R CB -0.762 29.534 30.300 -0.007 0.000 0.864 110 R HN 0.232 nan 8.270 nan 0.000 0.440 111 S N -0.684 115.024 115.700 0.014 0.000 2.382 111 S HA -0.074 4.548 4.470 0.253 0.000 0.228 111 S C 1.750 176.368 174.600 0.030 0.000 1.027 111 S CA 1.303 59.517 58.200 0.023 0.000 0.991 111 S CB -0.114 63.104 63.200 0.030 0.000 0.823 111 S HN 0.188 nan 8.310 nan 0.000 0.469 112 V N 1.884 121.818 119.914 0.034 0.000 2.283 112 V HA -0.128 4.144 4.120 0.253 0.000 0.243 112 V C 2.656 178.773 176.094 0.039 0.000 1.039 112 V CA 1.554 63.885 62.300 0.052 0.000 1.016 112 V CB -1.339 30.532 31.823 0.080 0.000 0.650 112 V HN 0.512 nan 8.190 nan 0.000 0.449 113 A N -0.178 122.633 122.820 -0.016 0.000 1.903 113 A HA -0.312 4.160 4.320 0.253 0.000 0.219 113 A C 2.192 179.777 177.584 0.001 0.000 1.191 113 A CA 2.287 54.303 52.037 -0.035 0.000 0.638 113 A CB -0.595 18.361 19.000 -0.073 0.000 0.823 113 A HN 0.640 nan 8.150 nan 0.000 0.451 114 E N -1.029 119.174 120.200 0.005 0.000 2.110 114 E HA -0.190 4.312 4.350 0.253 0.000 0.193 114 E C 1.966 178.579 176.600 0.022 0.000 0.988 114 E CA 1.191 57.598 56.400 0.011 0.000 0.804 114 E CB -0.265 29.441 29.700 0.010 0.000 0.745 114 E HN 0.521 nan 8.360 nan 0.000 0.458 115 L N 0.787 122.028 121.223 0.030 0.000 2.017 115 L HA -0.162 4.330 4.340 0.253 0.000 0.208 115 L C 2.249 179.142 176.870 0.038 0.000 1.073 115 L CA 1.401 56.262 54.840 0.035 0.000 0.745 115 L CB -0.432 41.651 42.059 0.041 0.000 0.894 115 L HN -0.075 nan 8.230 nan 0.000 0.432 116 V N -0.254 119.692 119.914 0.053 0.000 2.407 116 V HA -0.285 3.987 4.120 0.253 0.000 0.248 116 V C 2.518 178.639 176.094 0.044 0.000 1.055 116 V CA 1.466 63.803 62.300 0.063 0.000 1.049 116 V CB -0.612 31.281 31.823 0.118 0.000 0.662 116 V HN 0.370 nan 8.190 nan 0.000 0.455 117 I N 1.044 121.634 120.570 0.034 0.000 2.202 117 I HA -0.127 4.195 4.170 0.253 0.000 0.242 117 I C 2.622 178.752 176.117 0.022 0.000 1.091 117 I CA 1.932 63.247 61.300 0.024 0.000 1.368 117 I CB -1.917 36.092 38.000 0.015 0.000 1.058 117 I HN 0.350 nan 8.210 nan 0.000 0.410 118 G N 0.395 109.208 108.800 0.022 0.000 2.421 118 G HA2 -0.229 3.883 3.960 0.253 0.000 0.216 118 G HA3 -0.229 3.883 3.960 0.253 0.000 0.216 118 G C 1.573 176.487 174.900 0.023 0.000 1.171 118 G CA 0.518 45.630 45.100 0.021 0.000 0.775 118 G HN 0.440 nan 8.290 nan 0.000 0.543 119 E N 0.211 120.425 120.200 0.025 0.000 2.110 119 E HA -0.124 4.378 4.350 0.253 0.000 0.193 119 E C 2.500 179.113 176.600 0.022 0.000 0.988 119 E CA 1.221 57.635 56.400 0.023 0.000 0.804 119 E CB -0.211 29.502 29.700 0.022 0.000 0.745 119 E HN 0.546 nan 8.360 nan 0.000 0.458 120 L N -0.865 120.372 121.223 0.023 0.000 2.156 120 L HA -0.037 4.455 4.340 0.253 0.000 0.208 120 L C 2.007 178.892 176.870 0.024 0.000 1.095 120 L CA 1.370 56.223 54.840 0.021 0.000 0.770 120 L CB -0.641 41.432 42.059 0.023 0.000 0.914 120 L HN -0.017 nan 8.230 nan 0.000 0.439 121 L N -0.642 120.596 121.223 0.025 0.000 2.083 121 L HA -0.146 4.346 4.340 0.253 0.000 0.209 121 L C 2.552 179.441 176.870 0.031 0.000 1.083 121 L CA 1.309 56.166 54.840 0.027 0.000 0.752 121 L CB -0.481 41.591 42.059 0.021 0.000 0.899 121 L HN 0.333 nan 8.230 nan 0.000 0.433 122 L N -1.362 119.877 121.223 0.027 0.000 2.202 122 L HA -0.088 4.404 4.340 0.253 0.000 0.205 122 L C 2.388 179.277 176.870 0.031 0.000 1.083 122 L CA 0.481 55.337 54.840 0.027 0.000 0.790 122 L CB -0.216 41.858 42.059 0.024 0.000 0.942 122 L HN 0.225 nan 8.230 nan 0.000 0.452 123 L N -0.134 121.107 121.223 0.030 0.000 1.994 123 L HA -0.251 4.241 4.340 0.253 0.000 0.208 123 L C 2.476 179.372 176.870 0.045 0.000 1.071 123 L CA 1.369 56.226 54.840 0.029 0.000 0.745 123 L CB -0.446 41.622 42.059 0.015 0.000 0.892 123 L HN 0.247 nan 8.230 nan 0.000 0.431 124 L N -0.651 120.603 121.223 0.053 0.000 2.263 124 L HA -0.210 4.282 4.340 0.253 0.000 0.216 124 L C 2.360 179.329 176.870 0.166 0.000 1.111 124 L CA 0.821 55.722 54.840 0.103 0.000 0.773 124 L CB -0.372 41.748 42.059 0.101 0.000 0.906 124 L HN 0.271 nan 8.230 nan 0.000 0.439 125 R N -0.421 120.135 120.500 0.094 0.000 2.365 125 R HA 0.172 4.664 4.340 0.253 0.000 0.223 125 R C 1.154 177.477 176.300 0.038 0.000 0.899 125 R CA 0.692 56.830 56.100 0.063 0.000 1.059 125 R CB 0.396 30.715 30.300 0.032 0.000 1.086 125 R HN 0.319 nan 8.270 nan 0.000 0.522 126 G N 1.056 109.885 108.800 0.047 0.000 2.198 126 G HA2 -0.257 3.854 3.960 0.253 0.000 0.260 126 G HA3 -0.257 3.854 3.960 0.253 0.000 0.260 126 G C 0.855 175.762 174.900 0.012 0.000 1.025 126 G CA 0.527 45.646 45.100 0.032 0.000 0.769 126 G HN 0.205 nan 8.290 nan 0.000 0.507 127 V N 0.449 120.370 119.914 0.012 0.000 2.323 127 V HA -0.084 4.187 4.120 0.253 0.000 0.244 127 V C 0.882 176.986 176.094 0.017 0.000 1.041 127 V CA 2.485 64.787 62.300 0.003 0.000 1.025 127 V CB -0.700 31.127 31.823 0.006 0.000 0.656 127 V HN 0.364 nan 8.190 nan 0.000 0.451 128 P HA -0.213 nan 4.420 nan 0.000 0.216 128 P C 1.633 178.960 177.300 0.046 0.000 1.150 128 P CA 1.652 64.776 63.100 0.040 0.000 0.843 128 P CB 0.107 31.834 31.700 0.046 0.000 0.787 129 E N -0.772 119.452 120.200 0.041 0.000 2.112 129 E HA -0.090 4.412 4.350 0.253 0.000 0.190 129 E C 1.909 178.525 176.600 0.027 0.000 0.979 129 E CA 0.859 57.286 56.400 0.044 0.000 0.814 129 E CB -0.420 29.308 29.700 0.047 0.000 0.762 129 E HN 0.058 nan 8.360 nan 0.000 0.460 130 A N 0.929 123.749 122.820 -0.000 0.000 1.968 130 A HA -0.175 4.297 4.320 0.253 0.000 0.217 130 A C 1.922 179.501 177.584 -0.008 0.000 1.169 130 A CA 1.517 53.529 52.037 -0.042 0.000 0.638 130 A CB -0.644 18.294 19.000 -0.104 0.000 0.812 130 A HN 0.308 nan 8.150 nan 0.000 0.446 131 N N 0.571 119.293 118.700 0.038 0.000 2.080 131 N HA -0.064 4.828 4.740 0.253 0.000 0.189 131 N C 1.725 177.363 175.510 0.213 0.000 1.036 131 N CA 2.062 55.186 53.050 0.124 0.000 0.846 131 N CB -0.419 38.144 38.487 0.126 0.000 1.015 131 N HN 0.287 nan 8.380 nan 0.000 0.423 132 A N 0.271 123.166 122.820 0.125 0.000 2.070 132 A HA -0.084 4.388 4.320 0.253 0.000 0.220 132 A C 2.072 179.727 177.584 0.118 0.000 1.159 132 A CA 1.127 53.233 52.037 0.115 0.000 0.656 132 A CB -0.386 18.651 19.000 0.062 0.000 0.800 132 A HN 0.357 nan 8.150 nan 0.000 0.453 133 K N -0.331 120.120 120.400 0.085 0.000 2.025 133 K HA -0.014 4.458 4.320 0.253 0.000 0.207 133 K C 2.403 179.055 176.600 0.087 0.000 1.049 133 K CA 0.997 57.326 56.287 0.071 0.000 0.933 133 K CB -0.326 32.197 32.500 0.038 0.000 0.714 133 K HN 0.417 nan 8.250 nan 0.000 0.438 134 A N 1.321 124.183 122.820 0.070 0.000 1.873 134 A HA -0.229 4.243 4.320 0.253 0.000 0.218 134 A C 1.783 179.392 177.584 0.040 0.000 1.193 134 A CA 1.813 53.874 52.037 0.041 0.000 0.629 134 A CB -0.955 18.019 19.000 -0.043 0.000 0.826 134 A HN 0.339 nan 8.150 nan 0.000 0.447 135 H N -0.119 118.979 119.070 0.046 0.000 2.456 135 H HA -0.067 4.639 4.556 0.250 0.000 0.296 135 H C 2.084 177.438 175.328 0.043 0.000 1.079 135 H CA 1.626 57.701 56.048 0.044 0.000 1.322 135 H CB -0.060 29.723 29.762 0.034 0.000 1.388 135 H HN 0.692 nan 8.280 nan 0.000 0.538 136 R N -0.332 120.261 120.500 0.155 0.000 2.313 136 R HA 0.172 4.664 4.340 0.253 0.000 0.199 136 R C 0.810 177.158 176.300 0.080 0.000 0.958 136 R CA 0.727 56.887 56.100 0.100 0.000 1.047 136 R CB 0.315 30.662 30.300 0.078 0.000 0.955 136 R HN 0.311 nan 8.270 nan 0.000 0.481 137 G N 0.344 109.195 108.800 0.084 0.000 2.179 137 G HA2 -0.215 3.897 3.960 0.253 0.000 0.220 137 G HA3 -0.215 3.897 3.960 0.253 0.000 0.220 137 G C -0.126 174.836 174.900 0.103 0.000 0.990 137 G CA -0.114 45.033 45.100 0.079 0.000 0.646 137 G HN 0.149 nan 8.290 nan 0.000 0.517 138 V N 1.666 121.647 119.914 0.112 0.000 2.407 138 V HA 0.550 4.822 4.120 0.253 0.000 0.278 138 V C 0.225 176.439 176.094 0.199 0.000 1.037 138 V CA -0.796 61.585 62.300 0.134 0.000 0.900 138 V CB 1.578 33.457 31.823 0.093 0.000 0.983 138 V HN 0.313 nan 8.190 nan 0.000 0.459 139 W N 6.412 127.717 121.300 0.007 0.000 2.335 139 W HA 0.362 5.180 4.660 0.263 0.000 0.307 139 W C -0.209 176.315 176.519 0.010 0.000 1.117 139 W CA -0.587 56.761 57.345 0.005 0.000 1.228 139 W CB 1.076 30.536 29.460 -0.000 0.000 1.240 139 W HN 0.602 nan 8.180 nan 0.000 0.468 140 N N 5.916 124.493 118.700 -0.204 0.000 2.844 140 N HA 0.042 4.934 4.740 0.253 0.000 0.268 140 N C -0.863 174.492 175.510 -0.259 0.000 1.574 140 N CA -0.139 52.823 53.050 -0.147 0.000 0.838 140 N CB 0.579 39.023 38.487 -0.072 0.000 1.177 140 N HN 0.320 nan 8.380 nan 0.000 0.495 141 K N 3.289 123.533 120.400 -0.261 0.000 2.312 141 K HA 0.363 4.835 4.320 0.253 0.000 0.287 141 K C -1.081 175.478 176.600 -0.069 0.000 1.062 141 K CA 0.118 56.285 56.287 -0.200 0.000 0.934 141 K CB 0.507 32.975 32.500 -0.053 0.000 1.027 141 K HN 0.368 nan 8.250 nan 0.000 0.478 142 L N 2.391 123.567 121.223 -0.078 0.000 2.568 142 L HA 0.466 4.958 4.340 0.253 0.000 0.257 142 L C -0.069 176.763 176.870 -0.063 0.000 1.024 142 L CA -0.747 54.065 54.840 -0.047 0.000 0.854 142 L CB 1.982 44.020 42.059 -0.035 0.000 1.460 142 L HN 0.633 nan 8.230 nan 0.000 0.409 143 A N 0.312 123.095 122.820 -0.063 0.000 2.259 143 A HA 0.661 5.133 4.320 0.253 0.000 0.213 143 A C 0.912 178.420 177.584 -0.127 0.000 1.209 143 A CA 0.559 52.537 52.037 -0.098 0.000 0.910 143 A CB 0.148 19.094 19.000 -0.091 0.000 0.946 143 A HN 0.704 nan 8.150 nan 0.000 0.497 144 A N -0.110 122.663 122.820 -0.079 0.000 2.522 144 A HA 0.443 4.915 4.320 0.253 0.000 0.256 144 A C 1.580 179.133 177.584 -0.051 0.000 1.086 144 A CA 0.816 52.814 52.037 -0.065 0.000 0.763 144 A CB -0.812 18.178 19.000 -0.017 0.000 1.024 144 A HN 1.958 nan 8.150 nan 0.000 0.502 145 G N 2.025 110.787 108.800 -0.064 0.000 2.234 145 G HA2 -0.204 3.908 3.960 0.253 0.000 0.235 145 G HA3 -0.204 3.908 3.960 0.253 0.000 0.235 145 G C 0.512 175.488 174.900 0.127 0.000 0.997 145 G CA 0.285 45.463 45.100 0.130 0.000 0.623 145 G HN 1.213 nan 8.290 nan 0.000 0.514 146 S N 0.287 115.856 115.700 -0.218 0.000 2.586 146 S HA 0.816 5.438 4.470 0.253 0.000 0.274 146 S C -0.565 173.726 174.600 -0.515 0.000 1.281 146 S CA -0.066 58.049 58.200 -0.141 0.000 1.035 146 S CB 1.015 64.150 63.200 -0.108 0.000 0.962 146 S HN 0.392 nan 8.310 nan 0.000 0.512 147 F N 0.254 120.200 119.950 -0.008 0.000 2.601 147 F HA 0.355 5.028 4.527 0.243 0.000 0.309 147 F C 0.340 176.135 175.800 -0.008 0.000 1.089 147 F CA -1.118 56.879 58.000 -0.005 0.000 0.940 147 F CB 1.460 40.459 39.000 -0.002 0.000 1.273 147 F HN 0.462 nan 8.300 nan 0.000 0.450 148 E N 0.512 120.804 120.200 0.153 0.000 2.392 148 E HA 0.400 4.902 4.350 0.253 0.000 0.256 148 E C 0.205 176.868 176.600 0.105 0.000 1.145 148 E CA -0.072 56.384 56.400 0.092 0.000 0.929 148 E CB 1.058 30.788 29.700 0.050 0.000 0.998 148 E HN 0.717 nan 8.360 nan 0.000 0.442 149 A N 2.215 125.065 122.820 0.050 0.000 2.132 149 A HA -0.033 4.439 4.320 0.253 0.000 0.213 149 A C 1.199 178.768 177.584 -0.025 0.000 1.154 149 A CA 0.082 52.131 52.037 0.020 0.000 0.753 149 A CB -0.053 18.952 19.000 0.008 0.000 0.826 149 A HN 0.532 nan 8.150 nan 0.000 0.469 150 R N 0.052 120.534 120.500 -0.030 0.000 2.484 150 R HA 0.283 4.775 4.340 0.253 0.000 0.293 150 R C 1.130 177.363 176.300 -0.112 0.000 1.023 150 R CA 1.024 57.072 56.100 -0.086 0.000 1.037 150 R CB -0.185 30.082 30.300 -0.054 0.000 0.951 150 R HN 0.746 nan 8.270 nan 0.000 0.418 151 G N 3.116 111.739 108.800 -0.295 0.000 2.184 151 G HA2 -0.269 3.843 3.960 0.253 0.000 0.264 151 G HA3 -0.269 3.843 3.960 0.253 0.000 0.264 151 G C -0.188 174.668 174.900 -0.073 0.000 0.975 151 G CA 0.408 45.318 45.100 -0.318 0.000 0.642 151 G HN 0.560 nan 8.290 nan 0.000 0.536 152 K N 0.234 120.594 120.400 -0.066 0.000 2.090 152 K HA 0.500 4.972 4.320 0.253 0.000 0.250 152 K C 0.319 176.964 176.600 0.075 0.000 1.004 152 K CA -0.353 55.951 56.287 0.028 0.000 0.919 152 K CB 0.924 33.420 32.500 -0.005 0.000 1.045 152 K HN 0.214 nan 8.250 nan 0.000 0.471 153 K N 1.429 121.923 120.400 0.156 0.000 2.235 153 K HA 0.327 4.799 4.320 0.253 0.000 0.266 153 K C -0.571 176.141 176.600 0.187 0.000 0.980 153 K CA -0.598 55.851 56.287 0.270 0.000 0.849 153 K CB 1.148 33.841 32.500 0.321 0.000 1.098 153 K HN 0.294 nan 8.250 nan 0.000 0.445 154 L N 2.835 124.178 121.223 0.199 0.000 2.265 154 L HA 0.387 4.879 4.340 0.253 0.000 0.289 154 L C -0.146 176.865 176.870 0.234 0.000 1.033 154 L CA -0.188 54.750 54.840 0.163 0.000 0.814 154 L CB 1.154 43.283 42.059 0.117 0.000 1.203 154 L HN 0.753 nan 8.230 nan 0.000 0.423 155 G N 6.581 115.500 108.800 0.199 0.000 2.350 155 G HA2 0.437 4.549 3.960 0.253 0.000 0.306 155 G HA3 0.437 4.549 3.960 0.253 0.000 0.306 155 G C -0.323 174.710 174.900 0.222 0.000 1.094 155 G CA -0.440 44.790 45.100 0.216 0.000 0.953 155 G HN 0.622 nan 8.290 nan 0.000 0.420 156 I N 3.261 124.006 120.570 0.293 0.000 2.304 156 I HA 0.219 4.541 4.170 0.253 0.000 0.291 156 I C 0.155 176.486 176.117 0.357 0.000 1.018 156 I CA -0.435 61.062 61.300 0.329 0.000 1.260 156 I CB 1.561 39.783 38.000 0.370 0.000 1.390 156 I HN 0.275 nan 8.210 nan 0.000 0.475 157 I N 6.692 127.437 120.570 0.293 0.000 2.256 157 I HA 0.391 4.713 4.170 0.253 0.000 0.294 157 I C 0.530 176.802 176.117 0.258 0.000 1.127 157 I CA -0.093 61.383 61.300 0.292 0.000 1.247 157 I CB 0.241 38.375 38.000 0.223 0.000 1.460 157 I HN 0.867 nan 8.210 nan 0.000 0.511 158 G N 4.915 113.874 108.800 0.265 0.000 3.220 158 G HA2 -0.184 3.928 3.960 0.253 0.000 0.636 158 G HA3 -0.184 3.928 3.960 0.253 0.000 0.636 158 G C -1.201 173.793 174.900 0.156 0.000 1.226 158 G CA -0.856 44.353 45.100 0.183 0.000 1.177 158 G HN 0.468 nan 8.290 nan 0.000 0.527 159 Y N 3.231 123.476 120.300 -0.092 0.000 2.793 159 Y HA 0.552 5.253 4.550 0.252 0.000 0.374 159 Y C 1.014 176.738 175.900 -0.294 0.000 1.135 159 Y CA 0.293 58.205 58.100 -0.314 0.000 1.451 159 Y CB 0.157 38.135 38.460 -0.804 0.000 1.541 159 Y HN 0.768 nan 8.280 nan 0.000 0.546 160 G N -0.104 108.472 108.800 -0.373 0.000 3.194 160 G HA2 0.053 4.165 3.960 0.253 0.000 0.160 160 G HA3 0.053 4.165 3.960 0.253 0.000 0.160 160 G C 0.311 174.934 174.900 -0.462 0.000 1.267 160 G CA -0.270 44.606 45.100 -0.373 0.000 0.962 160 G HN 0.490 nan 8.290 nan 0.000 0.612 161 H N -0.602 118.290 119.070 -0.296 0.000 2.289 161 H HA -0.035 4.673 4.556 0.253 0.000 0.296 161 H C 2.457 177.635 175.328 -0.249 0.000 1.091 161 H CA 2.187 58.062 56.048 -0.288 0.000 1.274 161 H CB 0.021 29.628 29.762 -0.258 0.000 1.364 161 H HN 0.201 nan 8.280 nan 0.000 0.490 162 I N -0.817 119.697 120.570 -0.094 0.000 2.339 162 I HA -0.066 4.256 4.170 0.253 0.000 0.245 162 I C 2.775 178.654 176.117 -0.398 0.000 1.096 162 I CA 0.785 61.960 61.300 -0.209 0.000 1.408 162 I CB -0.612 37.275 38.000 -0.188 0.000 1.092 162 I HN 0.350 nan 8.210 nan 0.000 0.423 163 G N 1.228 109.780 108.800 -0.415 0.000 2.529 163 G HA2 -0.300 3.812 3.960 0.253 0.000 0.219 163 G HA3 -0.300 3.812 3.960 0.253 0.000 0.219 163 G C 1.626 176.206 174.900 -0.533 0.000 1.177 163 G CA 1.890 46.750 45.100 -0.400 0.000 0.773 163 G HN 0.300 nan 8.290 nan 0.000 0.573 164 T N 0.473 114.555 114.554 -0.787 0.000 2.652 164 T HA -0.203 4.299 4.350 0.253 0.000 0.267 164 T C 2.328 176.814 174.700 -0.356 0.000 1.039 164 T CA 1.827 63.444 62.100 -0.804 0.000 1.153 164 T CB -0.333 68.146 68.868 -0.649 0.000 0.863 164 T HN 0.406 nan 8.240 nan 0.000 0.428 165 Q N 0.660 120.293 119.800 -0.279 0.000 2.096 165 Q HA -0.099 4.393 4.340 0.253 0.000 0.204 165 Q C 2.160 178.078 176.000 -0.136 0.000 0.982 165 Q CA 1.226 56.929 55.803 -0.166 0.000 0.850 165 Q CB -0.668 27.992 28.738 -0.130 0.000 0.901 165 Q HN 0.434 nan 8.270 nan 0.000 0.422 166 L N -0.027 121.090 121.223 -0.177 0.000 1.990 166 L HA -0.067 4.425 4.340 0.253 0.000 0.213 166 L C 2.140 178.985 176.870 -0.041 0.000 1.072 166 L CA 2.677 57.446 54.840 -0.117 0.000 0.755 166 L CB -1.324 40.634 42.059 -0.168 0.000 0.889 166 L HN 0.328 nan 8.230 nan 0.000 0.432 167 G N -0.405 108.388 108.800 -0.013 0.000 2.450 167 G HA2 -0.255 3.857 3.960 0.253 0.000 0.220 167 G HA3 -0.255 3.857 3.960 0.253 0.000 0.220 167 G C 1.646 176.557 174.900 0.019 0.000 1.130 167 G CA 1.182 46.315 45.100 0.055 0.000 0.760 167 G HN 0.518 nan 8.290 nan 0.000 0.557 168 I N 0.232 120.793 120.570 -0.015 0.000 2.179 168 I HA -0.140 4.182 4.170 0.253 0.000 0.242 168 I C 2.715 178.823 176.117 -0.016 0.000 1.088 168 I CA 0.773 62.063 61.300 -0.017 0.000 1.357 168 I CB -0.234 37.745 38.000 -0.035 0.000 1.051 168 I HN 0.146 nan 8.210 nan 0.000 0.409 169 L N 0.545 121.755 121.223 -0.022 0.000 2.046 169 L HA -0.187 4.305 4.340 0.253 0.000 0.208 169 L C 2.863 179.725 176.870 -0.013 0.000 1.077 169 L CA 1.325 56.154 54.840 -0.017 0.000 0.747 169 L CB -0.800 41.249 42.059 -0.018 0.000 0.896 169 L HN 0.229 nan 8.230 nan 0.000 0.432 170 A N -0.319 122.496 122.820 -0.008 0.000 1.978 170 A HA -0.216 4.256 4.320 0.253 0.000 0.220 170 A C 2.212 179.781 177.584 -0.026 0.000 1.170 170 A CA 1.643 53.675 52.037 -0.009 0.000 0.636 170 A CB -0.373 18.634 19.000 0.011 0.000 0.810 170 A HN 0.459 nan 8.150 nan 0.000 0.448 171 E N -0.358 119.832 120.200 -0.018 0.000 2.107 171 E HA -0.079 4.423 4.350 0.253 0.000 0.191 171 E C 2.207 178.790 176.600 -0.028 0.000 0.982 171 E CA 0.910 57.295 56.400 -0.026 0.000 0.809 171 E CB -0.130 29.566 29.700 -0.007 0.000 0.756 171 E HN 0.564 nan 8.360 nan 0.000 0.459 172 S N 0.948 116.636 115.700 -0.020 0.000 2.407 172 S HA -0.166 4.456 4.470 0.253 0.000 0.235 172 S C 1.468 176.054 174.600 -0.024 0.000 1.036 172 S CA 0.939 59.128 58.200 -0.018 0.000 1.013 172 S CB -0.045 63.146 63.200 -0.014 0.000 0.820 172 S HN 0.093 nan 8.310 nan 0.000 0.476 173 L N 0.306 121.510 121.223 -0.032 0.000 2.628 173 L HA 0.329 4.821 4.340 0.253 0.000 0.229 173 L C 1.499 178.330 176.870 -0.065 0.000 1.137 173 L CA 0.542 55.360 54.840 -0.037 0.000 0.909 173 L CB -0.639 41.402 42.059 -0.030 0.000 1.137 173 L HN 0.378 nan 8.230 nan 0.000 0.470 174 G N -0.476 108.273 108.800 -0.085 0.000 2.160 174 G HA2 -0.318 3.794 3.960 0.253 0.000 0.251 174 G HA3 -0.318 3.794 3.960 0.253 0.000 0.251 174 G C 0.412 175.140 174.900 -0.287 0.000 1.008 174 G CA 0.316 45.326 45.100 -0.150 0.000 0.724 174 G HN 0.295 nan 8.290 nan 0.000 0.514 175 M N -0.585 118.879 119.600 -0.227 0.000 2.288 175 M HA 0.510 5.142 4.480 0.253 0.000 0.334 175 M C 0.332 176.444 176.300 -0.312 0.000 1.150 175 M CA -0.587 54.545 55.300 -0.280 0.000 1.118 175 M CB 0.847 33.385 32.600 -0.102 0.000 1.501 175 M HN 0.154 nan 8.290 nan 0.000 0.462 176 Y N 0.507 120.811 120.300 0.006 0.000 2.316 176 Y HA 0.423 5.125 4.550 0.253 0.000 0.331 176 Y C -0.167 175.646 175.900 -0.146 0.000 1.083 176 Y CA -0.998 57.061 58.100 -0.069 0.000 1.206 176 Y CB 0.823 39.319 38.460 0.060 0.000 1.195 176 Y HN 0.245 nan 8.280 nan 0.000 0.497 177 V N 4.999 124.790 119.914 -0.204 0.000 2.378 177 V HA 0.325 4.597 4.120 0.253 0.000 0.288 177 V C -0.986 174.855 176.094 -0.423 0.000 1.016 177 V CA -1.107 61.096 62.300 -0.162 0.000 0.840 177 V CB 0.541 32.355 31.823 -0.014 0.000 0.994 177 V HN 0.583 nan 8.190 nan 0.000 0.431 178 Y N 5.128 125.505 120.300 0.128 0.000 2.446 178 Y HA 0.761 5.463 4.550 0.252 0.000 0.345 178 Y C -0.196 175.793 175.900 0.149 0.000 0.984 178 Y CA -0.947 57.188 58.100 0.058 0.000 1.058 178 Y CB 2.112 40.580 38.460 0.013 0.000 1.220 178 Y HN 0.683 nan 8.280 nan 0.000 0.455 179 F N 0.731 120.717 119.950 0.060 0.000 2.588 179 F HA 0.702 5.380 4.527 0.252 0.000 0.314 179 F C -1.916 173.945 175.800 0.103 0.000 1.069 179 F CA -1.835 56.196 58.000 0.051 0.000 0.931 179 F CB 1.510 40.429 39.000 -0.134 0.000 1.260 179 F HN 0.446 nan 8.300 nan 0.000 0.465 180 Y N 2.377 122.814 120.300 0.229 0.000 2.331 180 Y HA 0.493 5.195 4.550 0.253 0.000 0.334 180 Y C -1.547 174.507 175.900 0.256 0.000 0.960 180 Y CA -0.538 57.633 58.100 0.118 0.000 1.130 180 Y CB 1.071 39.573 38.460 0.070 0.000 1.164 180 Y HN 0.891 nan 8.280 nan 0.000 0.458 181 D N 5.211 125.357 120.400 -0.424 0.000 2.601 181 D HA 0.197 4.989 4.640 0.253 0.000 0.230 181 D C 0.778 176.750 176.300 -0.547 0.000 1.106 181 D CA -0.487 53.313 54.000 -0.334 0.000 0.873 181 D CB 1.945 42.807 40.800 0.102 0.000 1.515 181 D HN 0.797 nan 8.370 nan 0.000 0.468 182 I N -0.361 120.013 120.570 -0.326 0.000 2.676 182 I HA 0.079 4.401 4.170 0.253 0.000 0.259 182 I C 0.875 176.937 176.117 -0.093 0.000 1.194 182 I CA 0.462 61.647 61.300 -0.191 0.000 1.473 182 I CB -0.124 37.839 38.000 -0.063 0.000 1.096 182 I HN 0.280 nan 8.210 nan 0.000 0.443 183 E N 1.197 121.360 120.200 -0.061 0.000 2.232 183 E HA 0.330 4.832 4.350 0.253 0.000 0.264 183 E C -0.705 175.901 176.600 0.010 0.000 0.973 183 E CA -0.948 55.442 56.400 -0.018 0.000 0.849 183 E CB 0.772 30.470 29.700 -0.003 0.000 1.198 183 E HN 0.053 nan 8.360 nan 0.000 0.407 184 N N 2.193 120.905 118.700 0.020 0.000 2.411 184 N HA 0.120 5.012 4.740 0.253 0.000 0.259 184 N C -0.990 174.573 175.510 0.088 0.000 1.103 184 N CA -0.052 53.024 53.050 0.044 0.000 0.954 184 N CB 0.802 39.299 38.487 0.017 0.000 1.085 184 N HN 0.358 nan 8.380 nan 0.000 0.485 185 K N 1.859 122.371 120.400 0.187 0.000 2.259 185 K HA 0.337 4.809 4.320 0.253 0.000 0.249 185 K C -0.345 176.376 176.600 0.202 0.000 0.942 185 K CA -1.048 55.352 56.287 0.188 0.000 0.816 185 K CB 2.127 34.749 32.500 0.204 0.000 1.155 185 K HN 0.244 nan 8.250 nan 0.000 0.428 186 L N 3.984 125.281 121.223 0.123 0.000 2.433 186 L HA 0.169 4.661 4.340 0.253 0.000 0.275 186 L C -2.328 174.636 176.870 0.156 0.000 1.128 186 L CA -1.237 53.668 54.840 0.107 0.000 0.875 186 L CB 0.139 42.229 42.059 0.051 0.000 1.171 186 L HN 0.355 nan 8.230 nan 0.000 0.463 187 P HA 0.156 nan 4.420 nan 0.000 0.276 187 P C -0.897 176.487 177.300 0.141 0.000 1.230 187 P CA -0.446 62.767 63.100 0.187 0.000 0.776 187 P CB 0.632 32.438 31.700 0.177 0.000 0.888 188 L N 2.506 123.838 121.223 0.180 0.000 2.375 188 L HA 0.403 4.895 4.340 0.253 0.000 0.271 188 L C 1.604 178.519 176.870 0.076 0.000 1.107 188 L CA 0.909 55.808 54.840 0.099 0.000 0.806 188 L CB 0.066 42.164 42.059 0.065 0.000 1.146 188 L HN 0.783 nan 8.230 nan 0.000 0.447 189 G N 4.024 112.848 108.800 0.040 0.000 2.611 189 G HA2 -0.384 3.728 3.960 0.253 0.000 0.301 189 G HA3 -0.384 3.728 3.960 0.253 0.000 0.301 189 G C 0.541 175.457 174.900 0.026 0.000 1.233 189 G CA 0.696 45.813 45.100 0.027 0.000 0.993 189 G HN 0.758 nan 8.290 nan 0.000 0.553 190 N N 1.797 120.508 118.700 0.018 0.000 2.251 190 N HA 0.511 5.403 4.740 0.253 0.000 0.217 190 N C 0.697 176.190 175.510 -0.029 0.000 1.124 190 N CA 0.126 53.177 53.050 0.002 0.000 0.843 190 N CB 0.509 39.001 38.487 0.008 0.000 1.024 190 N HN 0.879 nan 8.380 nan 0.000 0.501 191 A N 0.731 123.554 122.820 0.005 0.000 2.561 191 A HA 0.136 4.608 4.320 0.253 0.000 0.234 191 A C 0.299 177.860 177.584 -0.038 0.000 1.055 191 A CA 0.554 52.593 52.037 0.002 0.000 0.756 191 A CB 0.188 19.259 19.000 0.119 0.000 0.986 191 A HN 0.112 nan 8.150 nan 0.000 0.505 192 T N 2.695 117.157 114.554 -0.154 0.000 2.791 192 T HA 0.371 4.873 4.350 0.253 0.000 0.288 192 T C -0.079 174.370 174.700 -0.418 0.000 0.999 192 T CA -0.215 61.783 62.100 -0.170 0.000 0.952 192 T CB 1.055 69.895 68.868 -0.046 0.000 0.938 192 T HN 0.760 nan 8.240 nan 0.000 0.444 193 Q N 3.244 122.575 119.800 -0.782 0.000 2.271 193 Q HA 0.319 4.811 4.340 0.253 0.000 0.273 193 Q C -0.861 174.825 176.000 -0.523 0.000 1.051 193 Q CA -0.169 54.860 55.803 -1.289 0.000 0.901 193 Q CB 0.394 28.482 28.738 -1.083 0.000 1.174 193 Q HN 0.436 nan 8.270 nan 0.000 0.385 194 V N 5.580 125.268 119.914 -0.376 0.000 2.383 194 V HA 0.051 4.323 4.120 0.253 0.000 0.275 194 V C 0.827 176.880 176.094 -0.068 0.000 1.036 194 V CA -0.492 61.721 62.300 -0.146 0.000 0.889 194 V CB 1.392 33.173 31.823 -0.068 0.000 0.985 194 V HN 0.923 nan 8.190 nan 0.000 0.459 195 Q N 1.984 121.703 119.800 -0.136 0.000 2.172 195 Q HA -0.013 4.479 4.340 0.253 0.000 0.200 195 Q C 0.272 176.172 176.000 -0.167 0.000 0.964 195 Q CA 1.103 56.795 55.803 -0.186 0.000 0.855 195 Q CB 0.141 28.682 28.738 -0.329 0.000 0.918 195 Q HN 0.717 nan 8.270 nan 0.000 0.444 196 H N 0.494 119.583 119.070 0.032 0.000 2.541 196 H HA 0.053 4.761 4.556 0.253 0.000 0.316 196 H C 1.025 176.204 175.328 -0.249 0.000 1.043 196 H CA -0.381 55.631 56.048 -0.059 0.000 1.232 196 H CB 1.536 31.258 29.762 -0.066 0.000 1.406 196 H HN 0.044 nan 8.280 nan 0.000 0.469 197 L N 3.631 124.526 121.223 -0.546 0.000 2.129 197 L HA -0.245 4.247 4.340 0.253 0.000 0.212 197 L C 2.056 178.719 176.870 -0.344 0.000 1.087 197 L CA 2.103 56.413 54.840 -0.884 0.000 0.757 197 L CB -0.410 40.900 42.059 -1.248 0.000 0.896 197 L HN 0.600 nan 8.230 nan 0.000 0.434 198 S N -1.921 113.660 115.700 -0.198 0.000 2.423 198 S HA -0.146 4.476 4.470 0.253 0.000 0.231 198 S C 1.654 176.199 174.600 -0.092 0.000 1.014 198 S CA 0.932 59.059 58.200 -0.121 0.000 0.965 198 S CB -0.681 62.460 63.200 -0.099 0.000 0.785 198 S HN 0.564 nan 8.310 nan 0.000 0.495 199 D N 1.596 121.953 120.400 -0.073 0.000 2.149 199 D HA 0.018 4.810 4.640 0.253 0.000 0.201 199 D C 1.923 178.159 176.300 -0.106 0.000 0.972 199 D CA 0.810 54.763 54.000 -0.078 0.000 0.835 199 D CB -0.329 40.434 40.800 -0.061 0.000 0.966 199 D HN 0.386 nan 8.370 nan 0.000 0.476 200 L N 0.699 121.859 121.223 -0.105 0.000 2.046 200 L HA -0.128 4.364 4.340 0.253 0.000 0.208 200 L C 2.272 179.105 176.870 -0.061 0.000 1.077 200 L CA 1.001 55.793 54.840 -0.079 0.000 0.747 200 L CB -0.129 41.919 42.059 -0.019 0.000 0.896 200 L HN -0.038 nan 8.230 nan 0.000 0.432 201 L N -0.469 120.712 121.223 -0.071 0.000 2.275 201 L HA -0.164 4.328 4.340 0.253 0.000 0.215 201 L C 2.253 179.098 176.870 -0.042 0.000 1.119 201 L CA 0.716 55.529 54.840 -0.045 0.000 0.790 201 L CB -0.744 41.287 42.059 -0.047 0.000 0.919 201 L HN 0.392 nan 8.230 nan 0.000 0.443 202 N N 0.693 119.357 118.700 -0.060 0.000 2.250 202 N HA -0.111 4.781 4.740 0.253 0.000 0.181 202 N C 1.915 177.386 175.510 -0.066 0.000 1.017 202 N CA 1.507 54.525 53.050 -0.055 0.000 0.866 202 N CB 0.111 38.562 38.487 -0.060 0.000 0.985 202 N HN 0.468 nan 8.380 nan 0.000 0.429 203 M N -1.337 118.205 119.600 -0.098 0.000 2.435 203 M HA 0.229 4.861 4.480 0.253 0.000 0.265 203 M C 0.589 176.846 176.300 -0.072 0.000 1.104 203 M CA 0.385 55.613 55.300 -0.120 0.000 1.140 203 M CB 0.150 32.604 32.600 -0.244 0.000 1.372 203 M HN -0.284 nan 8.290 nan 0.000 0.456 204 S N 2.011 117.684 115.700 -0.045 0.000 2.565 204 S HA 0.122 4.744 4.470 0.253 0.000 0.274 204 S C 0.375 174.962 174.600 -0.022 0.000 1.309 204 S CA -0.641 57.562 58.200 0.005 0.000 1.043 204 S CB 1.045 64.265 63.200 0.033 0.000 0.939 204 S HN 0.317 nan 8.310 nan 0.000 0.504 205 D N 0.985 121.376 120.400 -0.015 0.000 2.201 205 D HA 0.053 4.845 4.640 0.253 0.000 0.209 205 D C 0.126 176.388 176.300 -0.064 0.000 0.961 205 D CA 1.073 55.030 54.000 -0.071 0.000 0.861 205 D CB 0.384 41.135 40.800 -0.081 0.000 0.997 205 D HN 0.257 nan 8.370 nan 0.000 0.486 206 V N 1.523 121.428 119.914 -0.016 0.000 2.656 206 V HA 0.361 4.633 4.120 0.253 0.000 0.307 206 V C -0.114 175.997 176.094 0.027 0.000 1.051 206 V CA -0.819 61.478 62.300 -0.005 0.000 0.893 206 V CB 2.691 34.521 31.823 0.011 0.000 0.999 206 V HN -0.246 nan 8.190 nan 0.000 0.426 207 V N 2.903 122.827 119.914 0.017 0.000 2.444 207 V HA 0.585 4.857 4.120 0.253 0.000 0.294 207 V C -0.021 176.091 176.094 0.030 0.000 1.022 207 V CA -0.233 62.091 62.300 0.041 0.000 0.850 207 V CB 1.867 33.701 31.823 0.018 0.000 0.992 207 V HN 0.907 nan 8.190 nan 0.000 0.426 208 S N 5.800 121.541 115.700 0.069 0.000 2.478 208 S HA 0.702 5.324 4.470 0.253 0.000 0.312 208 S C -0.721 173.828 174.600 -0.086 0.000 1.094 208 S CA -0.579 57.629 58.200 0.012 0.000 1.081 208 S CB 0.744 64.038 63.200 0.157 0.000 1.007 208 S HN 0.569 nan 8.310 nan 0.000 0.475 209 L N 5.858 126.915 121.223 -0.277 0.000 2.319 209 L HA 0.453 4.945 4.340 0.253 0.000 0.280 209 L C 0.242 176.731 176.870 -0.635 0.000 1.099 209 L CA -0.221 54.452 54.840 -0.278 0.000 0.828 209 L CB 0.496 42.450 42.059 -0.175 0.000 1.150 209 L HN 0.722 nan 8.230 nan 0.000 0.442 210 H N 3.392 122.492 119.070 0.050 0.000 2.825 210 H HA 0.264 4.972 4.556 0.254 0.000 0.226 210 H C -0.620 174.737 175.328 0.048 0.000 1.414 210 H CA -0.164 55.908 56.048 0.039 0.000 1.198 210 H CB 0.648 30.429 29.762 0.032 0.000 2.013 210 H HN 0.387 nan 8.280 nan 0.000 0.530 211 V N -1.005 118.966 119.914 0.095 0.000 3.096 211 V HA 0.670 4.942 4.120 0.253 0.000 0.319 211 V C -2.118 174.021 176.094 0.075 0.000 1.103 211 V CA -2.196 60.158 62.300 0.090 0.000 1.016 211 V CB 2.054 33.923 31.823 0.077 0.000 1.090 211 V HN 0.037 nan 8.190 nan 0.000 0.449 212 P HA 0.307 nan 4.420 nan 0.000 0.289 212 P C -0.934 176.394 177.300 0.046 0.000 1.299 212 P CA -0.296 62.842 63.100 0.064 0.000 0.766 212 P CB 0.668 32.409 31.700 0.068 0.000 1.226 213 E N 0.547 120.771 120.200 0.040 0.000 2.175 213 E HA 0.422 4.924 4.350 0.253 0.000 0.278 213 E C -0.698 175.922 176.600 0.034 0.000 0.969 213 E CA -0.453 55.967 56.400 0.034 0.000 0.796 213 E CB 0.345 30.064 29.700 0.032 0.000 1.104 213 E HN 0.609 nan 8.360 nan 0.000 0.395 214 N N 2.506 121.225 118.700 0.033 0.000 4.621 214 N HA 0.033 4.925 4.740 0.253 0.000 0.212 214 N C -2.797 172.733 175.510 0.032 0.000 1.233 214 N CA -0.893 52.176 53.050 0.032 0.000 0.792 214 N CB 0.168 38.675 38.487 0.034 0.000 1.524 214 N HN 0.142 nan 8.380 nan 0.000 0.468 215 P HA -0.194 nan 4.420 nan 0.000 0.216 215 P C 1.286 178.607 177.300 0.034 0.000 1.150 215 P CA 2.672 65.790 63.100 0.029 0.000 0.843 215 P CB -0.014 31.702 31.700 0.026 0.000 0.787 216 S N -1.035 114.689 115.700 0.039 0.000 2.399 216 S HA -0.145 4.477 4.470 0.253 0.000 0.231 216 S C 1.898 176.531 174.600 0.054 0.000 1.022 216 S CA 1.954 60.183 58.200 0.049 0.000 0.983 216 S CB -1.897 61.335 63.200 0.052 0.000 0.803 216 S HN 0.336 nan 8.310 nan 0.000 0.480 217 T N -1.529 113.054 114.554 0.049 0.000 3.065 217 T HA 0.214 4.716 4.350 0.253 0.000 0.252 217 T C 0.620 175.342 174.700 0.035 0.000 1.099 217 T CA 0.141 62.270 62.100 0.048 0.000 1.063 217 T CB -0.385 68.510 68.868 0.045 0.000 0.948 217 T HN 0.357 nan 8.240 nan 0.000 0.506 218 K N 2.826 123.245 120.400 0.032 0.000 2.382 218 K HA 0.117 4.589 4.320 0.253 0.000 0.286 218 K C 0.243 176.856 176.600 0.022 0.000 1.062 218 K CA 0.109 56.411 56.287 0.025 0.000 1.000 218 K CB -0.938 31.577 32.500 0.025 0.000 0.954 218 K HN 0.159 nan 8.250 nan 0.000 0.470 219 N N 2.929 121.639 118.700 0.017 0.000 2.753 219 N HA -0.259 4.633 4.740 0.253 0.000 0.251 219 N C 0.713 176.231 175.510 0.014 0.000 1.097 219 N CA 1.443 54.500 53.050 0.013 0.000 0.786 219 N CB -1.454 37.041 38.487 0.013 0.000 1.137 219 N HN 0.907 nan 8.380 nan 0.000 0.566 220 M N -2.653 116.960 119.600 0.021 0.000 2.426 220 M HA -0.074 4.558 4.480 0.253 0.000 0.261 220 M C 0.408 176.718 176.300 0.018 0.000 1.068 220 M CA 1.666 56.984 55.300 0.029 0.000 1.066 220 M CB 0.032 32.663 32.600 0.051 0.000 1.399 220 M HN 0.025 nan 8.290 nan 0.000 0.449 221 M N 2.387 121.992 119.600 0.008 0.000 2.131 221 M HA 0.433 5.065 4.480 0.253 0.000 0.345 221 M C 0.059 176.357 176.300 -0.004 0.000 1.060 221 M CA -0.095 55.204 55.300 -0.002 0.000 1.011 221 M CB 0.756 33.351 32.600 -0.009 0.000 1.328 221 M HN 0.351 nan 8.290 nan 0.000 0.396 222 G N 0.942 109.740 108.800 -0.003 0.000 2.971 222 G HA2 0.647 4.759 3.960 0.253 0.000 0.235 222 G HA3 0.647 4.759 3.960 0.253 0.000 0.235 222 G C 0.667 175.564 174.900 -0.005 0.000 1.351 222 G CA 0.039 45.137 45.100 -0.003 0.000 1.039 222 G HN 0.584 nan 8.290 nan 0.000 0.563 223 A N -0.662 122.154 122.820 -0.007 0.000 1.933 223 A HA -0.011 4.461 4.320 0.253 0.000 0.218 223 A C 2.152 179.722 177.584 -0.023 0.000 1.175 223 A CA 2.177 54.207 52.037 -0.012 0.000 0.628 223 A CB -0.472 18.521 19.000 -0.013 0.000 0.814 223 A HN 0.574 nan 8.150 nan 0.000 0.444 224 K N -0.284 120.102 120.400 -0.023 0.000 2.002 224 K HA -0.220 4.252 4.320 0.253 0.000 0.209 224 K C 1.894 178.475 176.600 -0.031 0.000 1.048 224 K CA 1.890 58.158 56.287 -0.032 0.000 0.930 224 K CB -0.178 32.304 32.500 -0.029 0.000 0.714 224 K HN 0.410 nan 8.250 nan 0.000 0.438 225 E N 0.889 121.076 120.200 -0.022 0.000 2.110 225 E HA -0.145 4.357 4.350 0.253 0.000 0.193 225 E C 1.910 178.512 176.600 0.004 0.000 0.988 225 E CA 1.321 57.710 56.400 -0.019 0.000 0.804 225 E CB -0.140 29.549 29.700 -0.019 0.000 0.745 225 E HN 0.380 nan 8.360 nan 0.000 0.458 226 I N 0.825 121.404 120.570 0.015 0.000 2.286 226 I HA -0.282 4.040 4.170 0.253 0.000 0.248 226 I C 2.158 178.353 176.117 0.130 0.000 1.115 226 I CA 1.483 62.821 61.300 0.062 0.000 1.392 226 I CB -0.428 37.603 38.000 0.052 0.000 1.065 226 I HN 0.140 nan 8.210 nan 0.000 0.418 227 S N 0.774 116.469 115.700 -0.008 0.000 2.461 227 S HA -0.002 4.620 4.470 0.253 0.000 0.228 227 S C 1.868 176.435 174.600 -0.055 0.000 1.005 227 S CA 0.463 58.552 58.200 -0.184 0.000 0.942 227 S CB -0.608 62.458 63.200 -0.224 0.000 0.776 227 S HN 0.410 nan 8.310 nan 0.000 0.514 228 L N 0.537 121.761 121.223 0.002 0.000 2.362 228 L HA 0.143 4.635 4.340 0.253 0.000 0.219 228 L C 1.225 178.130 176.870 0.059 0.000 1.134 228 L CA 0.392 55.234 54.840 0.002 0.000 0.807 228 L CB -0.503 41.538 42.059 -0.029 0.000 0.927 228 L HN 0.339 nan 8.230 nan 0.000 0.447 229 M N 0.661 120.353 119.600 0.153 0.000 2.245 229 M HA 0.013 4.645 4.480 0.253 0.000 0.344 229 M C 0.505 176.872 176.300 0.112 0.000 1.170 229 M CA 0.327 55.698 55.300 0.118 0.000 1.135 229 M CB 0.553 33.197 32.600 0.074 0.000 1.574 229 M HN -0.048 nan 8.290 nan 0.000 0.452 230 K N 4.188 124.577 120.400 -0.018 0.000 2.472 230 K HA 0.086 4.558 4.320 0.253 0.000 0.280 230 K C -2.280 174.230 176.600 -0.150 0.000 1.028 230 K CA -1.187 55.074 56.287 -0.044 0.000 1.045 230 K CB 0.256 32.713 32.500 -0.071 0.000 0.902 230 K HN 0.197 nan 8.250 nan 0.000 0.478 231 P HA -0.093 nan 4.420 nan 0.000 0.261 231 P C 0.163 177.369 177.300 -0.156 0.000 1.173 231 P CA 1.059 64.098 63.100 -0.102 0.000 0.760 231 P CB 0.453 32.173 31.700 0.033 0.000 0.783 232 G N 1.917 110.601 108.800 -0.194 0.000 2.168 232 G HA2 -0.247 3.865 3.960 0.253 0.000 0.257 232 G HA3 -0.247 3.865 3.960 0.253 0.000 0.257 232 G C 0.416 175.204 174.900 -0.187 0.000 0.997 232 G CA 0.390 45.401 45.100 -0.148 0.000 0.708 232 G HN 0.730 nan 8.290 nan 0.000 0.520 233 S N -0.962 114.602 115.700 -0.227 0.000 2.652 233 S HA 0.821 5.443 4.470 0.253 0.000 0.267 233 S C 0.136 174.643 174.600 -0.156 0.000 1.201 233 S CA -0.703 57.383 58.200 -0.189 0.000 0.996 233 S CB 1.820 64.916 63.200 -0.173 0.000 1.054 233 S HN 0.679 nan 8.310 nan 0.000 0.561 234 L N 0.707 121.862 121.223 -0.114 0.000 2.410 234 L HA 0.556 5.047 4.340 0.253 0.000 0.270 234 L C -1.215 175.615 176.870 -0.067 0.000 0.983 234 L CA -0.835 53.954 54.840 -0.084 0.000 0.822 234 L CB 1.830 43.853 42.059 -0.059 0.000 1.285 234 L HN 0.561 nan 8.230 nan 0.000 0.409 235 L N 4.237 125.419 121.223 -0.068 0.000 2.325 235 L HA 0.669 5.161 4.340 0.253 0.000 0.278 235 L C -0.858 175.977 176.870 -0.058 0.000 1.023 235 L CA -0.009 54.795 54.840 -0.059 0.000 0.811 235 L CB 1.651 43.669 42.059 -0.068 0.000 1.249 235 L HN 0.395 nan 8.230 nan 0.000 0.431 236 I N 4.013 124.546 120.570 -0.061 0.000 2.500 236 I HA 0.345 4.667 4.170 0.253 0.000 0.286 236 I C -1.176 174.866 176.117 -0.127 0.000 1.063 236 I CA -0.581 60.675 61.300 -0.072 0.000 1.062 236 I CB 1.898 39.878 38.000 -0.034 0.000 1.223 236 I HN 0.584 nan 8.210 nan 0.000 0.435 237 N N 5.208 123.817 118.700 -0.153 0.000 2.531 237 N HA 0.612 5.504 4.740 0.253 0.000 0.268 237 N C -0.523 174.858 175.510 -0.215 0.000 1.023 237 N CA -0.349 52.580 53.050 -0.203 0.000 0.896 237 N CB 1.911 40.286 38.487 -0.187 0.000 1.233 237 N HN 0.672 nan 8.380 nan 0.000 0.512 238 A N 2.276 124.965 122.820 -0.219 0.000 2.631 238 A HA 0.280 4.752 4.320 0.253 0.000 0.294 238 A C 0.990 178.487 177.584 -0.144 0.000 1.156 238 A CA 0.018 51.957 52.037 -0.162 0.000 0.963 238 A CB -0.398 18.569 19.000 -0.055 0.000 1.202 238 A HN 0.630 nan 8.150 nan 0.000 0.523 239 S N 0.116 115.709 115.700 -0.179 0.000 2.291 239 S HA 0.396 5.018 4.470 0.253 0.000 0.185 239 S C 0.791 175.330 174.600 -0.103 0.000 0.996 239 S CA 0.005 58.147 58.200 -0.097 0.000 0.997 239 S CB 0.016 63.165 63.200 -0.086 0.000 0.899 239 S HN 0.375 nan 8.310 nan 0.000 0.493 240 R N -0.125 120.317 120.500 -0.098 0.000 2.867 240 R HA 0.533 5.025 4.340 0.253 0.000 0.268 240 R C 1.179 177.424 176.300 -0.090 0.000 1.014 240 R CA -0.140 55.915 56.100 -0.075 0.000 0.946 240 R CB 1.040 31.330 30.300 -0.016 0.000 1.208 240 R HN 0.518 nan 8.270 nan 0.000 0.477 241 G N -0.351 108.421 108.800 -0.048 0.000 2.484 241 G HA2 -0.195 3.917 3.960 0.253 0.000 0.218 241 G HA3 -0.195 3.917 3.960 0.253 0.000 0.218 241 G C 0.947 175.844 174.900 -0.005 0.000 1.130 241 G CA 1.157 46.242 45.100 -0.025 0.000 0.784 241 G HN 0.629 nan 8.290 nan 0.000 0.543 242 T N -1.790 112.767 114.554 0.004 0.000 3.081 242 T HA 0.166 4.668 4.350 0.253 0.000 0.250 242 T C 1.991 176.693 174.700 0.002 0.000 1.100 242 T CA 0.384 62.492 62.100 0.014 0.000 1.038 242 T CB 0.578 69.460 68.868 0.025 0.000 0.962 242 T HN -0.020 nan 8.240 nan 0.000 0.516 243 V N 1.073 120.977 119.914 -0.016 0.000 2.951 243 V HA 0.146 4.418 4.120 0.253 0.000 0.255 243 V C 0.902 176.984 176.094 -0.020 0.000 1.088 243 V CA 0.506 62.798 62.300 -0.015 0.000 1.109 243 V CB 0.021 31.831 31.823 -0.023 0.000 0.724 243 V HN 0.395 nan 8.190 nan 0.000 0.471 244 V N 0.253 120.146 119.914 -0.035 0.000 2.555 244 V HA 0.359 4.631 4.120 0.253 0.000 0.302 244 V C -0.375 175.710 176.094 -0.014 0.000 1.038 244 V CA -0.868 61.413 62.300 -0.032 0.000 0.887 244 V CB 1.922 33.710 31.823 -0.060 0.000 0.991 244 V HN 0.196 nan 8.190 nan 0.000 0.434 245 D N 4.036 124.434 120.400 -0.005 0.000 2.416 245 D HA 0.122 4.914 4.640 0.253 0.000 0.240 245 D C 1.118 177.424 176.300 0.011 0.000 1.250 245 D CA -0.179 53.825 54.000 0.008 0.000 0.967 245 D CB 0.717 41.521 40.800 0.007 0.000 1.059 245 D HN 0.308 nan 8.370 nan 0.000 0.512 246 I N 5.039 125.624 120.570 0.026 0.000 2.226 246 I HA -0.166 4.156 4.170 0.253 0.000 0.245 246 I C -0.722 175.422 176.117 0.044 0.000 1.100 246 I CA 0.835 62.159 61.300 0.040 0.000 1.374 246 I CB -2.059 35.994 38.000 0.089 0.000 1.057 246 I HN 0.366 nan 8.210 nan 0.000 0.413 247 P HA -0.046 nan 4.420 nan 0.000 0.219 247 P C 1.694 179.015 177.300 0.035 0.000 1.150 247 P CA 1.573 64.703 63.100 0.050 0.000 0.814 247 P CB 0.027 31.753 31.700 0.044 0.000 0.787 248 A N -0.092 122.740 122.820 0.020 0.000 1.877 248 A HA -0.191 4.281 4.320 0.253 0.000 0.216 248 A C 2.142 179.725 177.584 -0.002 0.000 1.186 248 A CA 1.686 53.729 52.037 0.010 0.000 0.620 248 A CB -1.715 17.288 19.000 0.005 0.000 0.822 248 A HN 0.192 nan 8.150 nan 0.000 0.443 249 L N -0.176 121.038 121.223 -0.015 0.000 2.046 249 L HA -0.058 4.434 4.340 0.253 0.000 0.208 249 L C 2.594 179.404 176.870 -0.101 0.000 1.077 249 L CA 2.323 57.132 54.840 -0.052 0.000 0.747 249 L CB -0.744 41.281 42.059 -0.057 0.000 0.896 249 L HN 0.328 nan 8.230 nan 0.000 0.432 250 A N -1.007 121.781 122.820 -0.054 0.000 2.019 250 A HA -0.202 4.270 4.320 0.253 0.000 0.219 250 A C 1.963 179.543 177.584 -0.007 0.000 1.164 250 A CA 1.879 53.883 52.037 -0.056 0.000 0.644 250 A CB -0.703 18.395 19.000 0.164 0.000 0.805 250 A HN 0.574 nan 8.150 nan 0.000 0.449 251 D N -0.260 120.152 120.400 0.020 0.000 2.162 251 D HA 0.073 4.865 4.640 0.253 0.000 0.203 251 D C 2.222 178.536 176.300 0.023 0.000 0.967 251 D CA 1.287 55.316 54.000 0.048 0.000 0.840 251 D CB -0.319 40.506 40.800 0.041 0.000 0.972 251 D HN 0.401 nan 8.370 nan 0.000 0.482 252 A N 0.571 123.390 122.820 -0.002 0.000 2.015 252 A HA -0.063 4.409 4.320 0.253 0.000 0.219 252 A C 2.318 179.883 177.584 -0.033 0.000 1.163 252 A CA 0.691 52.745 52.037 0.028 0.000 0.646 252 A CB -0.548 18.494 19.000 0.070 0.000 0.806 252 A HN 0.161 nan 8.150 nan 0.000 0.448 253 L N -0.860 120.262 121.223 -0.168 0.000 2.005 253 L HA -0.144 4.348 4.340 0.253 0.000 0.207 253 L C 3.127 179.924 176.870 -0.121 0.000 1.072 253 L CA 1.036 55.685 54.840 -0.318 0.000 0.744 253 L CB -0.601 40.947 42.059 -0.850 0.000 0.895 253 L HN 0.398 nan 8.230 nan 0.000 0.433 254 A N 0.169 123.010 122.820 0.035 0.000 1.927 254 A HA -0.286 4.186 4.320 0.253 0.000 0.220 254 A C 2.440 180.107 177.584 0.139 0.000 1.185 254 A CA 2.499 54.691 52.037 0.259 0.000 0.639 254 A CB -0.838 18.327 19.000 0.275 0.000 0.820 254 A HN 0.556 nan 8.150 nan 0.000 0.451 255 S N -2.116 113.637 115.700 0.087 0.000 2.527 255 S HA 0.077 4.699 4.470 0.253 0.000 0.222 255 S C 0.888 175.533 174.600 0.075 0.000 0.985 255 S CA 0.863 59.108 58.200 0.075 0.000 0.921 255 S CB -0.171 63.068 63.200 0.065 0.000 0.772 255 S HN 0.590 nan 8.310 nan 0.000 0.529 256 K N -0.912 119.524 120.400 0.060 0.000 3.553 256 K HA -0.289 4.183 4.320 0.253 0.000 0.303 256 K C 0.748 177.372 176.600 0.041 0.000 1.327 256 K CA 1.038 57.349 56.287 0.040 0.000 0.983 256 K CB -2.192 30.337 32.500 0.049 0.000 1.275 256 K HN 0.606 nan 8.250 nan 0.000 0.453 257 H N 0.762 119.823 119.070 -0.016 0.000 2.394 257 H HA -0.051 4.658 4.556 0.255 0.000 0.297 257 H C 0.288 175.595 175.328 -0.035 0.000 1.113 257 H CA 1.877 57.910 56.048 -0.024 0.000 1.277 257 H CB 0.156 29.901 29.762 -0.028 0.000 1.370 257 H HN 0.134 nan 8.280 nan 0.000 0.506 258 L N -0.969 120.137 121.223 -0.196 0.000 2.334 258 L HA 0.468 4.960 4.340 0.253 0.000 0.272 258 L C 1.309 178.102 176.870 -0.129 0.000 1.020 258 L CA 0.313 55.018 54.840 -0.225 0.000 0.812 258 L CB 1.524 43.473 42.059 -0.184 0.000 1.264 258 L HN 0.202 nan 8.230 nan 0.000 0.439 259 A N 1.017 123.768 122.820 -0.116 0.000 2.044 259 A HA 0.655 5.127 4.320 0.253 0.000 0.213 259 A C 0.784 178.341 177.584 -0.045 0.000 1.169 259 A CA 1.000 53.002 52.037 -0.058 0.000 0.724 259 A CB -0.181 18.793 19.000 -0.045 0.000 0.840 259 A HN 0.815 nan 8.150 nan 0.000 0.463 260 G N -2.976 105.782 108.800 -0.071 0.000 2.342 260 G HA2 0.657 4.769 3.960 0.253 0.000 0.297 260 G HA3 0.657 4.769 3.960 0.253 0.000 0.297 260 G C -1.211 173.647 174.900 -0.070 0.000 1.313 260 G CA 0.148 45.213 45.100 -0.058 0.000 0.830 260 G HN 1.304 nan 8.290 nan 0.000 0.506 261 A N -1.628 121.162 122.820 -0.049 0.000 2.599 261 A HA 1.049 5.521 4.320 0.253 0.000 0.290 261 A C -0.917 176.655 177.584 -0.019 0.000 1.101 261 A CA 0.183 52.190 52.037 -0.049 0.000 0.674 261 A CB 1.242 20.197 19.000 -0.076 0.000 1.277 261 A HN 2.534 nan 8.150 nan 0.000 0.419 262 A N 0.971 123.773 122.820 -0.029 0.000 2.446 262 A HA 0.644 5.116 4.320 0.253 0.000 0.282 262 A C -1.287 176.262 177.584 -0.058 0.000 1.102 262 A CA -0.251 51.777 52.037 -0.016 0.000 0.737 262 A CB 0.522 19.517 19.000 -0.009 0.000 1.212 262 A HN 0.719 nan 8.150 nan 0.000 0.434 263 I N 2.590 123.124 120.570 -0.060 0.000 2.382 263 I HA 0.288 4.610 4.170 0.253 0.000 0.286 263 I C 0.236 176.229 176.117 -0.207 0.000 1.002 263 I CA -0.216 60.953 61.300 -0.219 0.000 1.135 263 I CB 1.449 39.245 38.000 -0.340 0.000 1.288 263 I HN 0.817 nan 8.210 nan 0.000 0.448 264 D N 4.405 124.669 120.400 -0.227 0.000 2.367 264 D HA 0.106 4.898 4.640 0.253 0.000 0.207 264 D C 0.214 176.406 176.300 -0.181 0.000 1.034 264 D CA 0.587 54.522 54.000 -0.110 0.000 0.861 264 D CB 0.830 41.575 40.800 -0.090 0.000 0.943 264 D HN 0.345 nan 8.370 nan 0.000 0.515 265 V N -2.562 117.053 119.914 -0.498 0.000 3.040 265 V HA 0.737 5.009 4.120 0.253 0.000 0.312 265 V C -0.910 174.798 176.094 -0.644 0.000 1.115 265 V CA -1.024 61.041 62.300 -0.391 0.000 0.998 265 V CB 1.816 33.413 31.823 -0.376 0.000 1.042 265 V HN -0.132 nan 8.190 nan 0.000 0.433 266 F N 0.504 120.491 119.950 0.061 0.000 2.619 266 F HA 0.655 5.328 4.527 0.243 0.000 0.308 266 F C -1.861 173.991 175.800 0.087 0.000 1.097 266 F CA -1.581 56.483 58.000 0.105 0.000 0.953 266 F CB 2.293 41.416 39.000 0.205 0.000 1.287 266 F HN 0.348 nan 8.300 nan 0.000 0.446 267 P HA -0.084 nan 4.420 nan 0.000 0.215 267 P C 0.114 177.509 177.300 0.159 0.000 1.157 267 P CA 1.466 64.656 63.100 0.151 0.000 0.868 267 P CB 0.147 31.916 31.700 0.114 0.000 0.788 268 T N 1.516 116.178 114.554 0.180 0.000 2.809 268 T HA 0.335 4.837 4.350 0.253 0.000 0.284 268 T C -0.434 174.371 174.700 0.174 0.000 0.992 268 T CA -0.478 61.706 62.100 0.141 0.000 0.957 268 T CB 1.494 70.409 68.868 0.077 0.000 0.942 268 T HN -0.024 nan 8.240 nan 0.000 0.439 269 E N 3.091 123.398 120.200 0.178 0.000 2.212 269 E HA 0.436 4.938 4.350 0.253 0.000 0.268 269 E C -2.340 174.335 176.600 0.125 0.000 0.902 269 E CA -2.231 54.285 56.400 0.192 0.000 0.779 269 E CB 1.244 31.088 29.700 0.240 0.000 1.172 269 E HN 0.345 nan 8.360 nan 0.000 0.409 270 P HA -0.048 nan 4.420 nan 0.000 0.265 270 P C -0.002 177.334 177.300 0.060 0.000 1.187 270 P CA 0.177 63.324 63.100 0.078 0.000 0.766 270 P CB 0.663 32.409 31.700 0.077 0.000 0.820 271 A N 2.123 124.972 122.820 0.049 0.000 1.968 271 A HA 0.066 4.538 4.320 0.253 0.000 0.217 271 A C 1.037 178.640 177.584 0.032 0.000 1.169 271 A CA 1.873 53.937 52.037 0.045 0.000 0.638 271 A CB -0.700 18.328 19.000 0.047 0.000 0.812 271 A HN 0.688 nan 8.150 nan 0.000 0.446 272 T N -5.180 109.389 114.554 0.026 0.000 2.864 272 T HA 0.366 4.868 4.350 0.253 0.000 0.299 272 T C -0.081 174.625 174.700 0.011 0.000 1.166 272 T CA -0.547 61.562 62.100 0.015 0.000 1.007 272 T CB 0.847 69.725 68.868 0.015 0.000 1.219 272 T HN -0.003 nan 8.240 nan 0.000 0.506 273 N N 0.641 119.342 118.700 0.001 0.000 2.635 273 N HA 0.016 4.908 4.740 0.253 0.000 0.191 273 N C 1.329 176.841 175.510 0.004 0.000 1.155 273 N CA 0.501 53.550 53.050 -0.002 0.000 0.927 273 N CB -0.264 38.218 38.487 -0.008 0.000 0.976 273 N HN 0.544 nan 8.380 nan 0.000 0.448 274 S N -0.319 115.386 115.700 0.009 0.000 2.503 274 S HA 0.063 4.685 4.470 0.253 0.000 0.215 274 S C 0.123 174.734 174.600 0.017 0.000 1.003 274 S CA -0.200 58.006 58.200 0.011 0.000 0.910 274 S CB 0.434 63.639 63.200 0.009 0.000 0.790 274 S HN 0.256 nan 8.310 nan 0.000 0.514 275 D N 2.892 123.306 120.400 0.023 0.000 2.255 275 D HA 0.309 5.101 4.640 0.253 0.000 0.249 275 D C -2.434 173.893 176.300 0.045 0.000 1.078 275 D CA -1.323 52.694 54.000 0.030 0.000 0.896 275 D CB 0.801 41.621 40.800 0.033 0.000 1.194 275 D HN 0.131 nan 8.370 nan 0.000 0.429 276 P HA 0.210 nan 4.420 nan 0.000 0.272 276 P C -0.752 176.607 177.300 0.099 0.000 1.240 276 P CA -0.420 62.716 63.100 0.060 0.000 0.791 276 P CB 0.450 32.164 31.700 0.023 0.000 0.978 277 F N 0.305 120.211 119.950 -0.074 0.000 2.520 277 F HA 0.649 5.321 4.527 0.243 0.000 0.322 277 F C -0.770 174.958 175.800 -0.120 0.000 1.103 277 F CA -0.240 57.685 58.000 -0.124 0.000 0.926 277 F CB 2.027 40.928 39.000 -0.165 0.000 1.154 277 F HN 0.243 nan 8.300 nan 0.000 0.453 278 T N 3.758 117.761 114.554 -0.918 0.000 2.909 278 T HA 0.698 5.200 4.350 0.253 0.000 0.299 278 T C -1.714 172.432 174.700 -0.923 0.000 1.073 278 T CA -0.419 61.216 62.100 -0.775 0.000 0.999 278 T CB 1.436 70.105 68.868 -0.332 0.000 1.098 278 T HN 0.840 nan 8.240 nan 0.000 0.477 279 S N 2.391 117.730 115.700 -0.601 0.000 2.542 279 S HA 0.548 5.170 4.470 0.253 0.000 0.276 279 S C -2.366 172.175 174.600 -0.099 0.000 1.148 279 S CA -0.953 57.052 58.200 -0.326 0.000 0.886 279 S CB 1.792 64.815 63.200 -0.294 0.000 1.109 279 S HN 0.583 nan 8.310 nan 0.000 0.458 280 P HA 0.149 nan 4.420 nan 0.000 0.233 280 P C 1.228 178.660 177.300 0.220 0.000 1.167 280 P CA 0.387 63.533 63.100 0.078 0.000 0.770 280 P CB 0.016 31.776 31.700 0.100 0.000 0.837 281 L N -0.627 120.751 121.223 0.258 0.000 2.141 281 L HA -0.099 4.393 4.340 0.253 0.000 0.209 281 L C 2.477 179.563 176.870 0.361 0.000 1.094 281 L CA 1.138 56.223 54.840 0.408 0.000 0.763 281 L CB -1.283 40.983 42.059 0.345 0.000 0.908 281 L HN -0.041 nan 8.230 nan 0.000 0.437 282 A N 0.044 122.980 122.820 0.193 0.000 2.054 282 A HA -0.299 4.172 4.320 0.253 0.000 0.223 282 A C 2.281 179.898 177.584 0.055 0.000 1.169 282 A CA 2.079 54.194 52.037 0.130 0.000 0.655 282 A CB -0.564 18.459 19.000 0.038 0.000 0.812 282 A HN 0.514 nan 8.150 nan 0.000 0.462 283 E N -1.671 118.499 120.200 -0.049 0.000 2.338 283 E HA -0.076 4.426 4.350 0.253 0.000 0.197 283 E C -0.781 175.596 176.600 -0.372 0.000 1.007 283 E CA 0.123 56.355 56.400 -0.281 0.000 0.849 283 E CB 0.014 29.421 29.700 -0.488 0.000 0.774 283 E HN 0.582 nan 8.360 nan 0.000 0.506 284 F N 1.059 121.037 119.950 0.047 0.000 2.361 284 F HA 0.159 4.704 4.527 0.029 0.000 0.364 284 F C 0.841 176.670 175.800 0.049 0.000 1.117 284 F CA -0.829 57.199 58.000 0.046 0.000 1.071 284 F CB 1.330 40.359 39.000 0.049 0.000 1.188 284 F HN -0.199 nan 8.300 nan 0.000 0.464 285 D N 1.143 121.653 120.400 0.184 0.000 2.263 285 D HA -0.161 4.631 4.640 0.253 0.000 0.208 285 D C 1.558 177.937 176.300 0.132 0.000 0.971 285 D CA 1.107 55.184 54.000 0.130 0.000 0.867 285 D CB -0.061 40.790 40.800 0.086 0.000 0.929 285 D HN 0.465 nan 8.370 nan 0.000 0.492 286 N N 0.351 119.147 118.700 0.161 0.000 2.313 286 N HA -0.031 4.861 4.740 0.253 0.000 0.207 286 N C -0.431 175.127 175.510 0.080 0.000 1.141 286 N CA -0.023 53.090 53.050 0.104 0.000 0.830 286 N CB 0.348 38.887 38.487 0.087 0.000 1.008 286 N HN -0.110 nan 8.380 nan 0.000 0.481 287 V N 1.383 121.365 119.914 0.114 0.000 2.495 287 V HA 0.373 4.645 4.120 0.253 0.000 0.298 287 V C 0.041 176.196 176.094 0.102 0.000 1.031 287 V CA -0.882 61.473 62.300 0.091 0.000 0.871 287 V CB 2.049 33.950 31.823 0.130 0.000 0.988 287 V HN 0.112 nan 8.190 nan 0.000 0.432 288 L N 5.929 127.196 121.223 0.074 0.000 2.305 288 L HA 0.533 5.025 4.340 0.253 0.000 0.281 288 L C -0.619 176.317 176.870 0.110 0.000 1.085 288 L CA -0.198 54.689 54.840 0.078 0.000 0.813 288 L CB 0.956 43.044 42.059 0.049 0.000 1.157 288 L HN 0.412 nan 8.230 nan 0.000 0.436 289 L N 3.439 124.747 121.223 0.141 0.000 2.333 289 L HA 0.606 5.098 4.340 0.253 0.000 0.280 289 L C -0.299 176.630 176.870 0.099 0.000 1.004 289 L CA -0.429 54.542 54.840 0.219 0.000 0.820 289 L CB 1.981 44.225 42.059 0.308 0.000 1.247 289 L HN 0.599 nan 8.230 nan 0.000 0.416 290 T N -0.455 114.171 114.554 0.120 0.000 2.886 290 T HA 0.424 4.926 4.350 0.253 0.000 0.292 290 T C -2.684 172.048 174.700 0.055 0.000 1.012 290 T CA -2.087 60.039 62.100 0.043 0.000 0.982 290 T CB 1.940 70.835 68.868 0.045 0.000 1.018 290 T HN 0.295 nan 8.240 nan 0.000 0.451 291 P HA 0.108 nan 4.420 nan 0.000 0.231 291 P C 0.186 177.568 177.300 0.136 0.000 1.756 291 P CA 0.277 63.357 63.100 -0.032 0.000 0.990 291 P CB -1.221 30.422 31.700 -0.095 0.000 1.973 292 H N 1.379 120.493 119.070 0.073 0.000 2.713 292 H HA -0.174 4.535 4.556 0.254 0.000 0.311 292 H C 0.294 175.644 175.328 0.036 0.000 1.175 292 H CA -0.121 55.968 56.048 0.069 0.000 1.143 292 H CB -0.998 28.817 29.762 0.089 0.000 1.434 292 H HN 0.291 nan 8.280 nan 0.000 0.418 293 I N -2.914 117.762 120.570 0.176 0.000 3.914 293 I HA 0.391 4.713 4.170 0.253 0.000 0.333 293 I C 2.060 178.236 176.117 0.099 0.000 1.449 293 I CA 0.435 61.807 61.300 0.120 0.000 1.135 293 I CB -0.008 38.031 38.000 0.066 0.000 1.073 293 I HN 0.263 nan 8.210 nan 0.000 0.401 294 G N 1.815 110.675 108.800 0.100 0.000 2.606 294 G HA2 -0.272 3.840 3.960 0.253 0.000 0.221 294 G HA3 -0.272 3.840 3.960 0.253 0.000 0.221 294 G C 1.383 176.330 174.900 0.078 0.000 1.152 294 G CA 1.008 46.152 45.100 0.073 0.000 0.765 294 G HN 0.641 nan 8.290 nan 0.000 0.595 295 G N -0.780 108.078 108.800 0.097 0.000 3.393 295 G HA2 0.362 4.474 3.960 0.253 0.000 0.255 295 G HA3 0.362 4.474 3.960 0.253 0.000 0.255 295 G C 0.397 175.334 174.900 0.063 0.000 1.097 295 G CA 0.302 45.446 45.100 0.073 0.000 0.780 295 G HN 0.288 nan 8.290 nan 0.000 0.540 296 S N 1.675 117.415 115.700 0.065 0.000 3.483 296 S HA 0.436 5.058 4.470 0.253 0.000 0.274 296 S C 0.482 175.111 174.600 0.048 0.000 1.289 296 S CA -0.238 57.993 58.200 0.053 0.000 0.938 296 S CB 0.128 63.358 63.200 0.049 0.000 1.453 296 S HN 0.594 nan 8.310 nan 0.000 0.494 297 T N -0.444 114.139 114.554 0.049 0.000 2.804 297 T HA 0.412 4.914 4.350 0.253 0.000 0.290 297 T C 0.543 175.279 174.700 0.061 0.000 1.099 297 T CA -0.799 61.330 62.100 0.047 0.000 1.011 297 T CB 1.163 70.054 68.868 0.039 0.000 1.291 297 T HN 0.069 nan 8.240 nan 0.000 0.523 298 Q N -0.039 119.802 119.800 0.068 0.000 2.269 298 Q HA 0.101 4.593 4.340 0.253 0.000 0.201 298 Q C 1.818 177.872 176.000 0.089 0.000 0.946 298 Q CA 1.168 57.038 55.803 0.111 0.000 0.877 298 Q CB -0.220 28.591 28.738 0.121 0.000 0.963 298 Q HN 0.763 nan 8.270 nan 0.000 0.472 299 E N 1.006 121.232 120.200 0.043 0.000 2.106 299 E HA -0.066 4.436 4.350 0.253 0.000 0.192 299 E C 1.824 178.412 176.600 -0.020 0.000 0.984 299 E CA 1.154 57.555 56.400 0.001 0.000 0.806 299 E CB -0.190 29.513 29.700 0.005 0.000 0.750 299 E HN 0.335 nan 8.360 nan 0.000 0.458 300 A N 0.809 123.635 122.820 0.010 0.000 1.855 300 A HA -0.209 4.263 4.320 0.253 0.000 0.215 300 A C 2.028 179.618 177.584 0.011 0.000 1.191 300 A CA 1.185 53.228 52.037 0.010 0.000 0.613 300 A CB -0.449 18.567 19.000 0.027 0.000 0.829 300 A HN 0.100 nan 8.150 nan 0.000 0.442 301 Q N -0.444 119.383 119.800 0.044 0.000 2.248 301 Q HA -0.245 4.247 4.340 0.253 0.000 0.208 301 Q C 1.905 177.903 176.000 -0.003 0.000 0.984 301 Q CA 1.889 57.742 55.803 0.084 0.000 0.875 301 Q CB -0.248 28.588 28.738 0.163 0.000 0.910 301 Q HN 0.961 nan 8.270 nan 0.000 0.433 302 E N 0.272 120.348 120.200 -0.207 0.000 2.140 302 E HA -0.091 4.411 4.350 0.253 0.000 0.191 302 E C 1.335 177.802 176.600 -0.221 0.000 0.973 302 E CA 0.485 56.555 56.400 -0.550 0.000 0.829 302 E CB 0.023 29.247 29.700 -0.793 0.000 0.781 302 E HN 0.411 nan 8.360 nan 0.000 0.466 303 N N 0.832 119.463 118.700 -0.114 0.000 2.036 303 N HA -0.187 4.705 4.740 0.253 0.000 0.195 303 N C 2.043 177.534 175.510 -0.032 0.000 1.037 303 N CA 1.741 54.756 53.050 -0.058 0.000 0.855 303 N CB -0.177 38.290 38.487 -0.033 0.000 1.033 303 N HN 0.172 nan 8.380 nan 0.000 0.423 304 I N 0.870 121.440 120.570 -0.001 0.000 2.163 304 I HA -0.230 4.092 4.170 0.253 0.000 0.243 304 I C 2.596 178.785 176.117 0.120 0.000 1.085 304 I CA 1.310 62.635 61.300 0.041 0.000 1.347 304 I CB -0.709 37.348 38.000 0.095 0.000 1.044 304 I HN 0.271 nan 8.210 nan 0.000 0.408 305 G N 0.998 109.910 108.800 0.187 0.000 2.446 305 G HA2 -0.204 3.908 3.960 0.253 0.000 0.217 305 G HA3 -0.204 3.908 3.960 0.253 0.000 0.217 305 G C 1.670 176.696 174.900 0.211 0.000 1.168 305 G CA 0.626 45.930 45.100 0.341 0.000 0.771 305 G HN 0.274 nan 8.290 nan 0.000 0.551 306 L N -0.079 121.176 121.223 0.054 0.000 1.989 306 L HA -0.090 4.402 4.340 0.253 0.000 0.211 306 L C 2.786 179.640 176.870 -0.027 0.000 1.071 306 L CA 1.685 56.529 54.840 0.008 0.000 0.749 306 L CB -0.566 41.477 42.059 -0.027 0.000 0.890 306 L HN 0.289 nan 8.230 nan 0.000 0.431 307 E N 0.178 120.346 120.200 -0.053 0.000 2.017 307 E HA -0.198 4.304 4.350 0.253 0.000 0.193 307 E C 2.224 178.721 176.600 -0.171 0.000 0.997 307 E CA 1.820 58.165 56.400 -0.092 0.000 0.804 307 E CB 0.065 29.715 29.700 -0.084 0.000 0.757 307 E HN 0.250 nan 8.360 nan 0.000 0.448 308 V N 1.277 121.022 119.914 -0.282 0.000 2.358 308 V HA -0.242 4.030 4.120 0.253 0.000 0.246 308 V C 2.425 178.266 176.094 -0.422 0.000 1.047 308 V CA 1.642 63.617 62.300 -0.542 0.000 1.035 308 V CB -0.859 30.297 31.823 -1.112 0.000 0.658 308 V HN 0.373 nan 8.190 nan 0.000 0.452 309 A N 0.981 123.726 122.820 -0.124 0.000 1.873 309 A HA -0.169 4.303 4.320 0.253 0.000 0.218 309 A C 2.487 180.023 177.584 -0.080 0.000 1.193 309 A CA 2.256 54.327 52.037 0.057 0.000 0.629 309 A CB -1.498 17.591 19.000 0.149 0.000 0.826 309 A HN 0.525 nan 8.150 nan 0.000 0.447 310 G N -0.459 108.288 108.800 -0.089 0.000 2.513 310 G HA2 -0.314 3.798 3.960 0.253 0.000 0.219 310 G HA3 -0.314 3.798 3.960 0.253 0.000 0.219 310 G C 1.700 176.504 174.900 -0.160 0.000 1.160 310 G CA 1.407 46.449 45.100 -0.096 0.000 0.767 310 G HN 0.608 nan 8.290 nan 0.000 0.571 311 K N -0.127 120.115 120.400 -0.264 0.000 2.001 311 K HA 0.095 4.566 4.320 0.253 0.000 0.208 311 K C 2.544 178.832 176.600 -0.520 0.000 1.048 311 K CA 0.938 56.955 56.287 -0.451 0.000 0.932 311 K CB -0.350 31.741 32.500 -0.683 0.000 0.715 311 K HN 0.267 nan 8.250 nan 0.000 0.437 312 L N 0.813 121.770 121.223 -0.442 0.000 2.127 312 L HA -0.192 4.300 4.340 0.253 0.000 0.211 312 L C 2.317 179.061 176.870 -0.209 0.000 1.089 312 L CA 0.997 55.703 54.840 -0.224 0.000 0.757 312 L CB -0.505 41.514 42.059 -0.066 0.000 0.899 312 L HN 0.187 nan 8.230 nan 0.000 0.434 313 I N 0.024 120.470 120.570 -0.207 0.000 2.113 313 I HA -0.293 4.029 4.170 0.253 0.000 0.238 313 I C 2.545 178.634 176.117 -0.045 0.000 1.070 313 I CA 1.473 62.666 61.300 -0.179 0.000 1.332 313 I CB -0.232 37.717 38.000 -0.086 0.000 1.044 313 I HN 0.142 nan 8.210 nan 0.000 0.402 314 K N -0.221 120.161 120.400 -0.031 0.000 2.160 314 K HA -0.268 4.204 4.320 0.253 0.000 0.206 314 K C 2.103 178.783 176.600 0.133 0.000 1.047 314 K CA 1.923 58.234 56.287 0.041 0.000 0.930 314 K CB -0.355 32.151 32.500 0.009 0.000 0.720 314 K HN 0.420 nan 8.250 nan 0.000 0.450 315 Y N 0.347 120.640 120.300 -0.012 0.000 2.243 315 Y HA -0.155 4.547 4.550 0.254 0.000 0.293 315 Y C 2.639 178.646 175.900 0.178 0.000 1.124 315 Y CA 1.152 59.315 58.100 0.104 0.000 1.159 315 Y CB -0.015 38.524 38.460 0.132 0.000 1.008 315 Y HN -0.026 nan 8.280 nan 0.000 0.527 316 S N -0.073 115.644 115.700 0.030 0.000 2.419 316 S HA -0.172 4.450 4.470 0.253 0.000 0.233 316 S C 1.283 175.949 174.600 0.110 0.000 1.016 316 S CA 1.956 60.182 58.200 0.043 0.000 0.974 316 S CB -0.370 62.860 63.200 0.049 0.000 0.786 316 S HN 0.599 nan 8.310 nan 0.000 0.492 317 D N 0.669 121.160 120.400 0.152 0.000 2.277 317 D HA 0.098 4.890 4.640 0.253 0.000 0.209 317 D C 1.186 177.658 176.300 0.287 0.000 0.970 317 D CA 0.836 54.968 54.000 0.221 0.000 0.874 317 D CB -0.098 40.811 40.800 0.182 0.000 0.982 317 D HN 0.732 nan 8.370 nan 0.000 0.504 318 N N -1.802 117.042 118.700 0.241 0.000 2.081 318 N HA 0.167 5.059 4.740 0.253 0.000 0.230 318 N C 1.164 176.816 175.510 0.235 0.000 1.351 318 N CA 0.566 53.806 53.050 0.316 0.000 0.840 318 N CB 0.779 39.443 38.487 0.296 0.000 1.189 318 N HN 0.021 nan 8.380 nan 0.000 0.503 319 G N -0.160 108.766 108.800 0.210 0.000 2.205 319 G HA2 -0.319 3.793 3.960 0.253 0.000 0.261 319 G HA3 -0.319 3.793 3.960 0.253 0.000 0.261 319 G C 0.081 175.360 174.900 0.631 0.000 0.980 319 G CA 0.329 45.645 45.100 0.360 0.000 0.632 319 G HN 0.664 nan 8.290 nan 0.000 0.533 320 S N 1.157 117.129 115.700 0.455 0.000 2.515 320 S HA 0.426 5.048 4.470 0.253 0.000 0.285 320 S C 1.605 176.457 174.600 0.421 0.000 1.265 320 S CA 1.262 59.677 58.200 0.360 0.000 1.079 320 S CB 0.451 63.783 63.200 0.221 0.000 0.877 320 S HN 1.133 nan 8.310 nan 0.000 0.493 321 T N 3.477 118.237 114.554 0.344 0.000 3.092 321 T HA 0.240 4.742 4.350 0.253 0.000 0.258 321 T C 0.735 175.559 174.700 0.207 0.000 1.031 321 T CA -0.479 61.754 62.100 0.221 0.000 0.925 321 T CB -0.253 68.661 68.868 0.077 0.000 1.036 321 T HN 0.596 nan 8.240 nan 0.000 0.544 322 L N 2.412 123.748 121.223 0.188 0.000 2.737 322 L HA -0.026 4.466 4.340 0.253 0.000 0.279 322 L C 1.051 178.035 176.870 0.190 0.000 1.200 322 L CA 1.376 56.303 54.840 0.144 0.000 0.952 322 L CB 0.090 42.224 42.059 0.125 0.000 1.240 322 L HN 0.674 nan 8.230 nan 0.000 0.486 323 S N 1.825 117.606 115.700 0.135 0.000 1.587 323 S HA -0.167 4.455 4.470 0.253 0.000 0.247 323 S C 0.662 175.294 174.600 0.053 0.000 0.892 323 S CA 0.549 58.832 58.200 0.139 0.000 1.230 323 S CB -1.232 62.097 63.200 0.216 0.000 1.460 323 S HN 1.480 nan 8.310 nan 0.000 0.519 324 A N 1.432 124.194 122.820 -0.097 0.000 2.624 324 A HA 0.340 4.812 4.320 0.253 0.000 0.231 324 A C 1.436 178.884 177.584 -0.228 0.000 1.034 324 A CA 0.911 52.667 52.037 -0.468 0.000 0.754 324 A CB 0.055 18.757 19.000 -0.497 0.000 0.953 324 A HN 1.651 nan 8.150 nan 0.000 0.509 325 V N -0.411 119.353 119.914 -0.251 0.000 3.621 325 V HA 0.163 4.435 4.120 0.253 0.000 0.285 325 V C 0.713 176.741 176.094 -0.110 0.000 1.346 325 V CA 1.187 63.405 62.300 -0.136 0.000 1.104 325 V CB -0.608 31.145 31.823 -0.117 0.000 0.913 325 V HN 1.040 nan 8.190 nan 0.000 0.432 326 N N -1.128 117.499 118.700 -0.123 0.000 2.167 326 N HA 0.253 5.144 4.740 0.253 0.000 0.234 326 N C -0.808 174.713 175.510 0.018 0.000 1.312 326 N CA -0.324 52.689 53.050 -0.061 0.000 0.861 326 N CB 0.423 38.867 38.487 -0.072 0.000 1.217 326 N HN 0.480 nan 8.380 nan 0.000 0.504 327 F N 1.103 120.914 119.950 -0.231 0.000 2.588 327 F HA 0.644 5.323 4.527 0.253 0.000 0.310 327 F C -2.409 173.291 175.800 -0.165 0.000 1.082 327 F CA -1.950 55.909 58.000 -0.235 0.000 0.929 327 F CB 1.969 40.746 39.000 -0.372 0.000 1.254 327 F HN -0.239 nan 8.300 nan 0.000 0.455 328 P HA 0.021 nan 4.420 nan 0.000 0.265 328 P C -1.455 175.855 177.300 0.017 0.000 1.187 328 P CA 0.318 63.300 63.100 -0.197 0.000 0.766 328 P CB 0.346 31.879 31.700 -0.279 0.000 0.820 329 E N 1.221 121.434 120.200 0.022 0.000 2.115 329 E HA 0.390 4.892 4.350 0.253 0.000 0.282 329 E C -0.727 175.822 176.600 -0.085 0.000 0.987 329 E CA -0.705 55.717 56.400 0.037 0.000 0.797 329 E CB 1.043 30.767 29.700 0.039 0.000 1.086 329 E HN 0.122 nan 8.360 nan 0.000 0.397 330 V N 2.222 122.082 119.914 -0.090 0.000 2.823 330 V HA 0.566 4.838 4.120 0.253 0.000 0.312 330 V C -0.544 175.380 176.094 -0.283 0.000 1.072 330 V CA -0.698 61.279 62.300 -0.539 0.000 0.937 330 V CB 2.075 33.638 31.823 -0.435 0.000 1.013 330 V HN 0.791 nan 8.190 nan 0.000 0.430 331 S N 4.159 119.634 115.700 -0.376 0.000 2.562 331 S HA 0.783 5.405 4.470 0.253 0.000 0.274 331 S C -1.540 173.161 174.600 0.169 0.000 1.160 331 S CA -0.706 57.501 58.200 0.011 0.000 0.933 331 S CB 1.197 64.449 63.200 0.087 0.000 1.100 331 S HN 0.523 nan 8.310 nan 0.000 0.468 332 L N 2.935 124.249 121.223 0.150 0.000 2.381 332 L HA 0.621 5.113 4.340 0.253 0.000 0.274 332 L C -2.250 174.690 176.870 0.118 0.000 0.988 332 L CA -1.982 52.956 54.840 0.164 0.000 0.824 332 L CB 2.011 44.160 42.059 0.150 0.000 1.263 332 L HN 0.529 nan 8.230 nan 0.000 0.410 333 P HA 0.046 nan 4.420 nan 0.000 0.271 333 P C -0.828 176.492 177.300 0.034 0.000 1.238 333 P CA -0.466 62.650 63.100 0.027 0.000 0.794 333 P CB 0.515 32.198 31.700 -0.028 0.000 0.959 334 L N 1.558 122.770 121.223 -0.018 0.000 2.312 334 L HA 0.417 4.909 4.340 0.253 0.000 0.281 334 L C -0.235 176.613 176.870 -0.037 0.000 1.070 334 L CA 0.337 55.203 54.840 0.044 0.000 0.805 334 L CB 0.246 42.323 42.059 0.030 0.000 1.174 334 L HN 0.446 nan 8.230 nan 0.000 0.434 335 H N 1.255 120.384 119.070 0.098 0.000 2.883 335 H HA 0.271 4.979 4.556 0.253 0.000 0.277 335 H C -1.290 174.090 175.328 0.087 0.000 1.451 335 H CA -1.229 54.861 56.048 0.070 0.000 1.157 335 H CB 1.572 31.361 29.762 0.044 0.000 1.851 335 H HN 0.484 nan 8.280 nan 0.000 0.566 336 V N 1.712 121.728 119.914 0.170 0.000 2.814 336 V HA 0.139 4.411 4.120 0.253 0.000 0.298 336 V C 0.615 176.773 176.094 0.107 0.000 1.195 336 V CA 2.366 64.714 62.300 0.080 0.000 1.323 336 V CB -0.592 31.230 31.823 -0.002 0.000 0.842 336 V HN 0.991 nan 8.190 nan 0.000 0.494 337 G N 6.100 114.972 108.800 0.119 0.000 2.270 337 G HA2 0.171 4.283 3.960 0.253 0.000 0.268 337 G HA3 0.171 4.283 3.960 0.253 0.000 0.268 337 G C -1.151 173.847 174.900 0.163 0.000 1.312 337 G CA -0.377 44.789 45.100 0.110 0.000 1.050 337 G HN 0.861 nan 8.290 nan 0.000 0.474 338 R N -0.376 120.184 120.500 0.101 0.000 2.892 338 R HA 0.899 5.391 4.340 0.253 0.000 0.265 338 R C -0.057 176.189 176.300 -0.091 0.000 1.025 338 R CA -0.835 55.301 56.100 0.060 0.000 0.982 338 R CB 1.609 31.942 30.300 0.054 0.000 1.185 338 R HN 0.817 nan 8.270 nan 0.000 0.484 339 R N 1.620 121.934 120.500 -0.309 0.000 2.510 339 R HA 0.448 4.940 4.340 0.253 0.000 0.294 339 R C -1.339 174.812 176.300 -0.248 0.000 1.056 339 R CA -0.430 55.434 56.100 -0.393 0.000 0.918 339 R CB 0.800 30.572 30.300 -0.881 0.000 1.187 339 R HN 0.494 nan 8.270 nan 0.000 0.437 340 L N 4.724 125.897 121.223 -0.083 0.000 2.375 340 L HA 0.638 5.130 4.340 0.253 0.000 0.268 340 L C -0.115 176.772 176.870 0.029 0.000 1.058 340 L CA -1.100 53.748 54.840 0.015 0.000 0.803 340 L CB 1.649 43.791 42.059 0.138 0.000 1.212 340 L HN 0.711 nan 8.230 nan 0.000 0.451 341 M N 0.109 119.760 119.600 0.085 0.000 2.658 341 M HA 0.600 5.232 4.480 0.253 0.000 0.295 341 M C -1.015 175.437 176.300 0.253 0.000 1.248 341 M CA -0.485 54.895 55.300 0.133 0.000 0.843 341 M CB 1.791 34.516 32.600 0.207 0.000 1.749 341 M HN 0.459 nan 8.290 nan 0.000 0.464 342 H N 0.439 119.629 119.070 0.200 0.000 3.179 342 H HA 0.676 5.384 4.556 0.253 0.000 0.331 342 H C -2.144 173.350 175.328 0.277 0.000 1.013 342 H CA -0.594 55.596 56.048 0.238 0.000 1.430 342 H CB 1.076 30.981 29.762 0.239 0.000 1.895 342 H HN 0.853 nan 8.280 nan 0.000 0.468 343 I N 5.640 126.343 120.570 0.221 0.000 2.336 343 I HA 0.319 4.641 4.170 0.253 0.000 0.292 343 I C -0.687 175.479 176.117 0.082 0.000 0.991 343 I CA -0.566 60.819 61.300 0.142 0.000 1.227 343 I CB 1.001 39.100 38.000 0.165 0.000 1.366 343 I HN 0.695 nan 8.210 nan 0.000 0.466 344 H N 2.397 121.615 119.070 0.247 0.000 2.974 344 H HA 0.440 5.148 4.556 0.253 0.000 0.366 344 H C -1.204 174.186 175.328 0.103 0.000 1.155 344 H CA -1.103 55.057 56.048 0.185 0.000 1.186 344 H CB 0.637 30.576 29.762 0.295 0.000 1.799 344 H HN 0.419 nan 8.280 nan 0.000 0.541 345 E N 1.512 121.840 120.200 0.214 0.000 2.481 345 E HA -0.048 4.454 4.350 0.253 0.000 0.263 345 E C -0.248 176.491 176.600 0.232 0.000 0.992 345 E CA -0.029 56.462 56.400 0.150 0.000 0.938 345 E CB 0.399 30.157 29.700 0.096 0.000 0.933 345 E HN 0.430 nan 8.360 nan 0.000 0.453 346 N N 4.013 122.817 118.700 0.173 0.000 2.421 346 N HA 0.047 4.939 4.740 0.253 0.000 0.260 346 N C -0.474 175.075 175.510 0.065 0.000 1.173 346 N CA 0.413 53.554 53.050 0.152 0.000 0.960 346 N CB 0.327 38.874 38.487 0.100 0.000 1.273 346 N HN 0.196 nan 8.380 nan 0.000 0.497 347 R N 1.759 122.276 120.500 0.029 0.000 2.732 347 R HA 0.465 4.957 4.340 0.253 0.000 0.278 347 R C -2.388 173.902 176.300 -0.016 0.000 0.976 347 R CA -1.770 54.335 56.100 0.008 0.000 0.963 347 R CB 0.941 31.248 30.300 0.013 0.000 1.150 347 R HN 0.196 nan 8.270 nan 0.000 0.478 348 P HA 0.013 nan 4.420 nan 0.000 0.261 348 P C 0.455 177.736 177.300 -0.032 0.000 1.183 348 P CA 0.926 64.015 63.100 -0.018 0.000 0.761 348 P CB 0.468 32.162 31.700 -0.011 0.000 0.785 349 G N 1.323 110.096 108.800 -0.045 0.000 2.179 349 G HA2 -0.273 3.839 3.960 0.253 0.000 0.220 349 G HA3 -0.273 3.839 3.960 0.253 0.000 0.220 349 G C 0.924 175.771 174.900 -0.087 0.000 0.990 349 G CA 0.077 45.145 45.100 -0.053 0.000 0.646 349 G HN 0.365 nan 8.290 nan 0.000 0.517 350 V N 1.106 120.939 119.914 -0.136 0.000 2.252 350 V HA -0.192 4.080 4.120 0.253 0.000 0.249 350 V C 2.857 178.810 176.094 -0.234 0.000 1.056 350 V CA 2.415 64.569 62.300 -0.243 0.000 1.022 350 V CB -0.618 30.920 31.823 -0.474 0.000 0.641 350 V HN 0.445 nan 8.190 nan 0.000 0.445 351 L N -0.281 120.835 121.223 -0.179 0.000 2.275 351 L HA -0.133 4.358 4.340 0.253 0.000 0.215 351 L C 2.535 179.372 176.870 -0.056 0.000 1.119 351 L CA 1.541 56.318 54.840 -0.106 0.000 0.790 351 L CB -0.750 41.275 42.059 -0.058 0.000 0.919 351 L HN 0.437 nan 8.230 nan 0.000 0.443 352 T N -0.373 114.146 114.554 -0.059 0.000 2.770 352 T HA -0.091 4.411 4.350 0.253 0.000 0.263 352 T C 2.060 176.737 174.700 -0.038 0.000 1.039 352 T CA 1.126 63.205 62.100 -0.034 0.000 1.142 352 T CB -0.170 68.678 68.868 -0.033 0.000 0.868 352 T HN 0.419 nan 8.240 nan 0.000 0.435 353 A N 1.706 124.487 122.820 -0.065 0.000 1.858 353 A HA -0.027 4.445 4.320 0.253 0.000 0.216 353 A C 2.204 179.731 177.584 -0.095 0.000 1.190 353 A CA 1.187 53.179 52.037 -0.074 0.000 0.617 353 A CB -1.005 17.948 19.000 -0.080 0.000 0.827 353 A HN 0.308 nan 8.150 nan 0.000 0.443 354 L N 0.687 121.842 121.223 -0.112 0.000 2.030 354 L HA -0.281 4.211 4.340 0.253 0.000 0.222 354 L C 2.248 179.156 176.870 0.063 0.000 1.082 354 L CA 2.199 56.990 54.840 -0.080 0.000 0.785 354 L CB -1.124 40.942 42.059 0.012 0.000 0.895 354 L HN 0.499 nan 8.230 nan 0.000 0.439 355 N N -1.218 117.554 118.700 0.121 0.000 2.300 355 N HA -0.160 4.732 4.740 0.253 0.000 0.179 355 N C 1.891 177.469 175.510 0.113 0.000 1.016 355 N CA 0.574 53.747 53.050 0.204 0.000 0.876 355 N CB 0.131 38.691 38.487 0.121 0.000 0.979 355 N HN 0.366 nan 8.380 nan 0.000 0.432 356 K N 1.627 122.042 120.400 0.026 0.000 2.009 356 K HA -0.133 4.339 4.320 0.253 0.000 0.210 356 K C 2.069 178.655 176.600 -0.022 0.000 1.049 356 K CA 0.988 57.275 56.287 0.000 0.000 0.929 356 K CB -0.170 32.317 32.500 -0.022 0.000 0.714 356 K HN 0.064 nan 8.250 nan 0.000 0.440 357 I N 0.587 121.098 120.570 -0.099 0.000 2.068 357 I HA -0.346 3.976 4.170 0.253 0.000 0.238 357 I C 2.246 178.279 176.117 -0.140 0.000 1.046 357 I CA 1.715 62.904 61.300 -0.185 0.000 1.306 357 I CB -0.475 37.306 38.000 -0.364 0.000 1.023 357 I HN 0.105 nan 8.210 nan 0.000 0.399 358 F N 0.852 120.800 119.950 -0.003 0.000 2.115 358 F HA -0.305 4.374 4.527 0.253 0.000 0.300 358 F C 2.528 178.328 175.800 -0.001 0.000 1.092 358 F CA 1.637 59.636 58.000 -0.001 0.000 1.245 358 F CB -1.090 37.908 39.000 -0.004 0.000 0.995 358 F HN 0.075 nan 8.300 nan 0.000 0.481 359 A N -1.056 121.861 122.820 0.162 0.000 2.067 359 A HA -0.092 4.380 4.320 0.253 0.000 0.217 359 A C 2.030 179.642 177.584 0.047 0.000 1.156 359 A CA 1.160 53.250 52.037 0.088 0.000 0.683 359 A CB -0.632 18.408 19.000 0.066 0.000 0.808 359 A HN 0.367 nan 8.150 nan 0.000 0.455 360 E N -0.200 120.014 120.200 0.023 0.000 2.012 360 E HA -0.188 4.314 4.350 0.253 0.000 0.197 360 E C 1.869 178.478 176.600 0.016 0.000 1.007 360 E CA 1.518 57.922 56.400 0.006 0.000 0.816 360 E CB -0.068 29.621 29.700 -0.019 0.000 0.762 360 E HN 0.454 nan 8.360 nan 0.000 0.451 361 Q N -0.970 118.842 119.800 0.019 0.000 2.488 361 Q HA 0.054 4.546 4.340 0.253 0.000 0.211 361 Q C 0.889 176.922 176.000 0.055 0.000 0.967 361 Q CA 0.952 56.774 55.803 0.031 0.000 0.926 361 Q CB 0.749 29.503 28.738 0.027 0.000 0.992 361 Q HN 0.476 nan 8.270 nan 0.000 0.506 362 G N 0.218 109.058 108.800 0.067 0.000 2.149 362 G HA2 -0.230 3.882 3.960 0.253 0.000 0.235 362 G HA3 -0.230 3.882 3.960 0.253 0.000 0.235 362 G C -0.045 174.902 174.900 0.078 0.000 1.018 362 G CA 0.239 45.377 45.100 0.063 0.000 0.728 362 G HN 0.197 nan 8.290 nan 0.000 0.508 363 V N 0.169 120.161 119.914 0.129 0.000 2.439 363 V HA 0.494 4.766 4.120 0.253 0.000 0.282 363 V C 0.434 176.560 176.094 0.052 0.000 1.039 363 V CA -1.040 61.335 62.300 0.125 0.000 0.913 363 V CB 1.664 33.640 31.823 0.254 0.000 0.983 363 V HN 0.315 nan 8.190 nan 0.000 0.460 364 N N 3.614 122.314 118.700 -0.001 0.000 2.419 364 N HA 0.420 5.312 4.740 0.253 0.000 0.264 364 N C -0.529 174.916 175.510 -0.109 0.000 1.031 364 N CA -0.281 52.743 53.050 -0.043 0.000 0.951 364 N CB 0.797 39.273 38.487 -0.019 0.000 1.101 364 N HN 0.592 nan 8.380 nan 0.000 0.488 365 I N 2.422 122.894 120.570 -0.163 0.000 2.396 365 I HA 0.119 4.441 4.170 0.253 0.000 0.289 365 I C 1.132 177.172 176.117 -0.129 0.000 1.056 365 I CA -0.215 60.945 61.300 -0.232 0.000 1.365 365 I CB 1.292 39.122 38.000 -0.283 0.000 1.407 365 I HN 0.634 nan 8.210 nan 0.000 0.509 366 A N 5.772 128.530 122.820 -0.104 0.000 1.984 366 A HA 0.552 5.024 4.320 0.253 0.000 0.214 366 A C 0.915 178.473 177.584 -0.043 0.000 1.173 366 A CA 0.891 52.898 52.037 -0.050 0.000 0.673 366 A CB 0.181 19.171 19.000 -0.017 0.000 0.830 366 A HN 0.795 nan 8.150 nan 0.000 0.453 367 A N -1.613 121.172 122.820 -0.057 0.000 2.599 367 A HA 0.669 5.141 4.320 0.253 0.000 0.294 367 A C -1.079 176.478 177.584 -0.045 0.000 1.055 367 A CA -0.316 51.700 52.037 -0.034 0.000 0.683 367 A CB 0.916 19.916 19.000 0.001 0.000 1.278 367 A HN 0.288 nan 8.150 nan 0.000 0.412 368 Q N 0.264 120.053 119.800 -0.019 0.000 2.378 368 Q HA 0.467 4.959 4.340 0.253 0.000 0.262 368 Q C -2.453 173.587 176.000 0.067 0.000 0.978 368 Q CA -0.392 55.411 55.803 0.000 0.000 0.918 368 Q CB 2.080 30.796 28.738 -0.036 0.000 1.415 368 Q HN 0.908 nan 8.270 nan 0.000 0.409 369 Y N 5.132 125.398 120.300 -0.058 0.000 2.322 369 Y HA 0.450 5.152 4.550 0.253 0.000 0.324 369 Y C -1.780 174.081 175.900 -0.065 0.000 1.027 369 Y CA -0.913 57.159 58.100 -0.046 0.000 1.179 369 Y CB 1.144 39.583 38.460 -0.036 0.000 1.136 369 Y HN 0.549 nan 8.280 nan 0.000 0.449 370 L N 6.313 127.736 121.223 0.334 0.000 2.329 370 L HA 0.601 5.093 4.340 0.253 0.000 0.279 370 L C -1.565 175.439 176.870 0.224 0.000 1.014 370 L CA -0.394 54.554 54.840 0.180 0.000 0.814 370 L CB 1.928 44.063 42.059 0.127 0.000 1.257 370 L HN 0.824 nan 8.230 nan 0.000 0.424 371 Q N 2.593 122.466 119.800 0.122 0.000 2.495 371 Q HA 0.708 5.199 4.340 0.253 0.000 0.287 371 Q C -1.433 174.582 176.000 0.025 0.000 1.078 371 Q CA -0.424 55.441 55.803 0.104 0.000 0.793 371 Q CB 2.430 31.218 28.738 0.085 0.000 1.459 371 Q HN 0.784 nan 8.270 nan 0.000 0.422 372 T N -1.479 113.076 114.554 0.000 0.000 2.933 372 T HA 0.685 5.187 4.350 0.253 0.000 0.305 372 T C -0.252 174.402 174.700 -0.077 0.000 1.092 372 T CA -0.365 61.705 62.100 -0.049 0.000 1.008 372 T CB 1.714 70.580 68.868 -0.003 0.000 1.102 372 T HN 0.414 nan 8.240 nan 0.000 0.469 373 S N 0.652 116.271 115.700 -0.136 0.000 3.530 373 S HA 0.695 5.317 4.470 0.253 0.000 0.180 373 S C 1.866 176.425 174.600 -0.069 0.000 0.889 373 S CA 0.451 58.588 58.200 -0.105 0.000 1.478 373 S CB -0.359 62.760 63.200 -0.135 0.000 0.612 373 S HN 1.019 nan 8.310 nan 0.000 0.615 374 A N 0.408 123.189 122.820 -0.066 0.000 1.974 374 A HA 0.241 4.713 4.320 0.253 0.000 0.219 374 A C 1.893 179.461 177.584 -0.027 0.000 1.479 374 A CA 0.903 52.918 52.037 -0.037 0.000 0.615 374 A CB -1.149 17.833 19.000 -0.030 0.000 1.130 374 A HN 0.559 nan 8.150 nan 0.000 0.497 375 Q N -1.403 118.381 119.800 -0.026 0.000 2.319 375 Q HA 0.312 4.804 4.340 0.253 0.000 0.202 375 Q C 0.092 176.086 176.000 -0.011 0.000 0.896 375 Q CA 0.062 55.862 55.803 -0.006 0.000 0.942 375 Q CB 0.054 28.792 28.738 -0.000 0.000 1.083 375 Q HN 0.549 nan 8.270 nan 0.000 0.510 376 M N -0.489 119.072 119.600 -0.066 0.000 2.318 376 M HA 0.615 5.247 4.480 0.253 0.000 0.347 376 M C -0.348 175.852 176.300 -0.167 0.000 1.175 376 M CA -0.248 54.974 55.300 -0.130 0.000 1.075 376 M CB 1.694 34.154 32.600 -0.232 0.000 1.614 376 M HN 0.050 nan 8.290 nan 0.000 0.456 377 G N 2.847 111.522 108.800 -0.208 0.000 2.659 377 G HA2 0.597 4.709 3.960 0.253 0.000 0.296 377 G HA3 0.597 4.709 3.960 0.253 0.000 0.296 377 G C -2.652 172.010 174.900 -0.396 0.000 1.369 377 G CA -0.343 44.621 45.100 -0.226 0.000 0.937 377 G HN 0.660 nan 8.290 nan 0.000 0.485 378 Y N 1.258 121.374 120.300 -0.307 0.000 2.361 378 Y HA 0.641 5.343 4.550 0.253 0.000 0.328 378 Y C -1.495 174.412 175.900 0.012 0.000 1.044 378 Y CA -1.470 56.549 58.100 -0.135 0.000 1.085 378 Y CB 1.898 40.328 38.460 -0.050 0.000 1.194 378 Y HN 0.722 nan 8.280 nan 0.000 0.438 379 V N 7.144 126.960 119.914 -0.162 0.000 2.709 379 V HA 0.849 5.121 4.120 0.253 0.000 0.308 379 V C -1.993 173.949 176.094 -0.253 0.000 1.062 379 V CA -0.556 61.652 62.300 -0.154 0.000 0.901 379 V CB 2.010 33.882 31.823 0.081 0.000 1.003 379 V HN 0.578 nan 8.190 nan 0.000 0.425 380 V N 7.682 127.450 119.914 -0.243 0.000 2.487 380 V HA 0.616 4.888 4.120 0.253 0.000 0.298 380 V C -0.647 175.415 176.094 -0.054 0.000 1.028 380 V CA -0.354 61.839 62.300 -0.179 0.000 0.860 380 V CB 1.726 33.403 31.823 -0.243 0.000 0.991 380 V HN 0.781 nan 8.190 nan 0.000 0.427 381 I N 3.894 124.442 120.570 -0.036 0.000 2.468 381 I HA 0.441 4.763 4.170 0.253 0.000 0.285 381 I C -0.828 175.242 176.117 -0.079 0.000 1.039 381 I CA -0.330 60.936 61.300 -0.056 0.000 1.074 381 I CB 1.925 39.899 38.000 -0.044 0.000 1.228 381 I HN 0.423 nan 8.210 nan 0.000 0.436 382 D N 7.024 127.377 120.400 -0.078 0.000 2.210 382 D HA 0.707 5.499 4.640 0.253 0.000 0.249 382 D C -0.388 175.852 176.300 -0.101 0.000 1.062 382 D CA 0.109 54.069 54.000 -0.065 0.000 0.891 382 D CB 1.561 42.356 40.800 -0.008 0.000 1.186 382 D HN 0.480 nan 8.370 nan 0.000 0.432 383 I N -2.508 118.017 120.570 -0.075 0.000 2.913 383 I HA 0.481 4.803 4.170 0.253 0.000 0.302 383 I C -0.764 175.342 176.117 -0.019 0.000 1.246 383 I CA -0.909 60.338 61.300 -0.089 0.000 1.010 383 I CB 2.660 40.606 38.000 -0.090 0.000 1.259 383 I HN -0.059 nan 8.210 nan 0.000 0.434 384 E N 3.192 123.386 120.200 -0.010 0.000 2.129 384 E HA 0.768 5.270 4.350 0.253 0.000 0.268 384 E C -0.862 175.754 176.600 0.026 0.000 0.900 384 E CA -0.567 55.843 56.400 0.016 0.000 0.755 384 E CB 1.926 31.633 29.700 0.013 0.000 1.117 384 E HN 0.888 nan 8.360 nan 0.000 0.410 385 A N 3.458 126.300 122.820 0.038 0.000 2.452 385 A HA 0.294 4.766 4.320 0.253 0.000 0.294 385 A C -1.821 175.791 177.584 0.047 0.000 1.010 385 A CA -1.040 51.023 52.037 0.043 0.000 0.613 385 A CB 0.722 19.753 19.000 0.052 0.000 1.363 385 A HN 0.633 nan 8.150 nan 0.000 0.463 386 D N -0.440 119.986 120.400 0.043 0.000 2.217 386 D HA 0.506 5.298 4.640 0.253 0.000 0.248 386 D C 0.537 176.863 176.300 0.043 0.000 1.008 386 D CA -0.226 53.799 54.000 0.041 0.000 0.914 386 D CB 1.219 42.038 40.800 0.033 0.000 1.182 386 D HN 0.634 nan 8.370 nan 0.000 0.451 387 E N -0.101 120.124 120.200 0.043 0.000 2.333 387 E HA -0.258 4.244 4.350 0.253 0.000 0.200 387 E C 0.840 177.463 176.600 0.039 0.000 1.010 387 E CA 1.708 58.134 56.400 0.044 0.000 0.841 387 E CB 0.109 29.834 29.700 0.042 0.000 0.757 387 E HN 0.564 nan 8.360 nan 0.000 0.508 388 D N -0.733 119.688 120.400 0.034 0.000 2.162 388 D HA -0.114 4.678 4.640 0.253 0.000 0.205 388 D C 1.991 178.310 176.300 0.031 0.000 0.964 388 D CA 0.644 54.662 54.000 0.029 0.000 0.847 388 D CB -0.510 40.304 40.800 0.024 0.000 0.988 388 D HN 0.173 nan 8.370 nan 0.000 0.480 389 V N 2.037 121.973 119.914 0.037 0.000 2.295 389 V HA -0.233 4.039 4.120 0.253 0.000 0.246 389 V C 2.917 179.044 176.094 0.055 0.000 1.049 389 V CA 1.894 64.221 62.300 0.045 0.000 1.024 389 V CB -1.013 30.843 31.823 0.054 0.000 0.648 389 V HN 0.305 nan 8.190 nan 0.000 0.447 390 A N 0.079 122.937 122.820 0.062 0.000 1.859 390 A HA -0.301 4.171 4.320 0.253 0.000 0.218 390 A C 2.126 179.741 177.584 0.052 0.000 1.209 390 A CA 2.274 54.353 52.037 0.071 0.000 0.639 390 A CB -0.614 18.425 19.000 0.065 0.000 0.835 390 A HN 0.649 nan 8.150 nan 0.000 0.450 391 E N -0.652 119.572 120.200 0.039 0.000 2.427 391 E HA -0.060 4.442 4.350 0.253 0.000 0.196 391 E C 1.839 178.449 176.600 0.017 0.000 1.028 391 E CA 0.333 56.750 56.400 0.029 0.000 0.864 391 E CB -0.021 29.697 29.700 0.029 0.000 0.813 391 E HN 0.537 nan 8.360 nan 0.000 0.514 392 K N 0.848 121.258 120.400 0.015 0.000 2.025 392 K HA -0.088 4.384 4.320 0.253 0.000 0.207 392 K C 2.215 178.804 176.600 -0.018 0.000 1.049 392 K CA 1.029 57.318 56.287 0.002 0.000 0.933 392 K CB -0.065 32.439 32.500 0.007 0.000 0.714 392 K HN 0.032 nan 8.250 nan 0.000 0.438 393 A N 1.725 124.531 122.820 -0.022 0.000 1.858 393 A HA -0.163 4.309 4.320 0.253 0.000 0.216 393 A C 2.145 179.679 177.584 -0.082 0.000 1.190 393 A CA 1.324 53.309 52.037 -0.088 0.000 0.617 393 A CB -0.709 18.244 19.000 -0.078 0.000 0.827 393 A HN 0.331 nan 8.150 nan 0.000 0.443 394 L N -0.601 120.611 121.223 -0.019 0.000 2.261 394 L HA -0.218 4.274 4.340 0.253 0.000 0.216 394 L C 2.263 179.131 176.870 -0.003 0.000 1.114 394 L CA 2.233 57.076 54.840 0.004 0.000 0.777 394 L CB -0.348 41.729 42.059 0.030 0.000 0.910 394 L HN 0.498 nan 8.230 nan 0.000 0.440 395 Q N -0.617 119.176 119.800 -0.011 0.000 2.187 395 Q HA -0.033 4.459 4.340 0.253 0.000 0.199 395 Q C 2.327 178.317 176.000 -0.016 0.000 0.957 395 Q CA 1.241 57.038 55.803 -0.009 0.000 0.857 395 Q CB -0.186 28.549 28.738 -0.006 0.000 0.929 395 Q HN 0.736 nan 8.270 nan 0.000 0.453 396 A N 0.354 123.154 122.820 -0.034 0.000 1.930 396 A HA -0.177 4.295 4.320 0.253 0.000 0.217 396 A C 1.967 179.536 177.584 -0.025 0.000 1.175 396 A CA 1.174 53.186 52.037 -0.043 0.000 0.627 396 A CB -0.402 18.550 19.000 -0.079 0.000 0.815 396 A HN 0.308 nan 8.150 nan 0.000 0.443 397 M N -0.448 119.144 119.600 -0.014 0.000 2.159 397 M HA -0.168 4.464 4.480 0.253 0.000 0.263 397 M C 1.818 178.185 176.300 0.111 0.000 1.063 397 M CA 1.733 57.086 55.300 0.088 0.000 1.110 397 M CB -0.334 32.366 32.600 0.166 0.000 1.374 397 M HN 0.278 nan 8.290 nan 0.000 0.411 398 K N 0.231 120.647 120.400 0.028 0.000 2.442 398 K HA 0.020 4.492 4.320 0.253 0.000 0.198 398 K C 1.769 178.377 176.600 0.014 0.000 1.042 398 K CA 0.976 57.260 56.287 -0.005 0.000 0.958 398 K CB -0.149 32.339 32.500 -0.020 0.000 0.766 398 K HN 0.296 nan 8.250 nan 0.000 0.474 399 A N 1.137 123.971 122.820 0.023 0.000 2.132 399 A HA 0.106 4.578 4.320 0.253 0.000 0.213 399 A C 0.838 178.438 177.584 0.027 0.000 1.154 399 A CA -0.105 51.942 52.037 0.015 0.000 0.753 399 A CB -0.165 18.837 19.000 0.002 0.000 0.826 399 A HN 0.125 nan 8.150 nan 0.000 0.469 400 I N 2.194 122.797 120.570 0.055 0.000 2.662 400 I HA 0.063 4.385 4.170 0.253 0.000 0.285 400 I C -2.219 173.932 176.117 0.056 0.000 1.161 400 I CA -1.514 59.817 61.300 0.052 0.000 1.415 400 I CB 0.615 38.658 38.000 0.073 0.000 1.385 400 I HN 0.075 nan 8.210 nan 0.000 0.552 401 P HA 0.092 nan 4.420 nan 0.000 0.265 401 P C 0.765 178.093 177.300 0.046 0.000 1.222 401 P CA 0.525 63.642 63.100 0.029 0.000 0.767 401 P CB 0.745 32.453 31.700 0.014 0.000 0.801 402 G N 2.221 111.061 108.800 0.067 0.000 2.699 402 G HA2 -0.169 3.942 3.960 0.253 0.000 0.198 402 G HA3 -0.169 3.942 3.960 0.253 0.000 0.198 402 G C 0.252 175.247 174.900 0.158 0.000 1.033 402 G CA -0.303 44.861 45.100 0.106 0.000 0.728 402 G HN 0.527 nan 8.290 nan 0.000 0.484 403 T N 1.326 115.982 114.554 0.171 0.000 2.939 403 T HA 0.317 4.819 4.350 0.253 0.000 0.312 403 T C 1.595 176.309 174.700 0.023 0.000 1.064 403 T CA 1.135 63.302 62.100 0.111 0.000 1.136 403 T CB 1.003 69.858 68.868 -0.021 0.000 1.035 403 T HN 0.306 nan 8.240 nan 0.000 0.538 404 I N 1.043 121.601 120.570 -0.020 0.000 4.032 404 I HA 0.276 4.597 4.170 0.253 0.000 0.313 404 I C 0.912 176.990 176.117 -0.065 0.000 1.272 404 I CA 0.038 61.326 61.300 -0.020 0.000 1.307 404 I CB 0.484 38.493 38.000 0.015 0.000 1.155 404 I HN 0.434 nan 8.210 nan 0.000 0.431 405 R N 1.093 121.522 120.500 -0.117 0.000 2.764 405 R HA 0.617 5.109 4.340 0.253 0.000 0.250 405 R C -2.069 174.145 176.300 -0.144 0.000 1.122 405 R CA -0.223 55.813 56.100 -0.106 0.000 1.022 405 R CB 1.368 31.626 30.300 -0.070 0.000 1.266 405 R HN 0.011 nan 8.270 nan 0.000 0.454 406 A N 3.848 126.598 122.820 -0.116 0.000 2.486 406 A HA 0.899 5.371 4.320 0.253 0.000 0.300 406 A C -1.369 176.213 177.584 -0.004 0.000 1.048 406 A CA -0.859 51.145 52.037 -0.056 0.000 0.696 406 A CB 1.764 20.718 19.000 -0.076 0.000 1.278 406 A HN 0.500 nan 8.150 nan 0.000 0.405 407 R N 0.931 121.450 120.500 0.032 0.000 2.604 407 R HA 0.385 4.877 4.340 0.253 0.000 0.281 407 R C -1.728 174.591 176.300 0.032 0.000 1.020 407 R CA -0.773 55.340 56.100 0.023 0.000 0.899 407 R CB 1.663 31.965 30.300 0.005 0.000 1.205 407 R HN 0.711 nan 8.270 nan 0.000 0.450 408 L N 4.136 125.378 121.223 0.031 0.000 2.342 408 L HA 0.228 4.720 4.340 0.253 0.000 0.285 408 L C 0.774 177.654 176.870 0.018 0.000 1.095 408 L CA 0.336 55.190 54.840 0.023 0.000 0.843 408 L CB 0.229 42.310 42.059 0.037 0.000 1.201 408 L HN 0.715 nan 8.230 nan 0.000 0.445 409 L N 5.519 126.723 121.223 -0.031 0.000 2.044 409 L HA -0.005 4.486 4.340 0.253 0.000 0.205 409 L C 0.070 177.015 176.870 0.124 0.000 1.075 409 L CA 1.009 55.855 54.840 0.010 0.000 0.747 409 L CB -0.328 41.699 42.059 -0.054 0.000 0.903 409 L HN 0.745 nan 8.230 nan 0.000 0.435 410 Y N 0.000 120.337 120.300 0.062 0.000 2.660 410 Y HA 0.000 4.702 4.550 0.253 0.000 0.201 410 Y CA 0.000 58.133 58.100 0.055 0.000 1.940 410 Y CB 0.000 38.492 38.460 0.054 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758