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 2ek9_1_A DATA FIRST_RESID 5 DATA SEQUENCE ADHQITKRTD AENMYNTIQF LSQAPRVAGS PEELKAVRYI EQQFKSYGYH DATA SEQUENCE VEVQPFQFEG YTAPSEVTLK IGTEKKEGEA FTYSPNSDVT AELVYVGLGT DATA SEQUENCE TADVAGKDLN GKIALIQRGN ISFADKVRNA AKQGAKAVII YNNTDGKLNG DATA SEQUENCE TLGGSDASFV AAVGITKQEG DALAANLRAG EKITATVKVA GAEVKTLTSH DATA SEQUENCE NVIATKKPDA NKKNTNDIII IGSHHDSVEK APGANDDASG VAVTLELARV DATA SEQUENCE MSKLKTDTEL RFITFGAEEN GLIGSKKYAA SLSEDEIKRT IGMFQLDMVG DATA SEQUENCE SKDAGDLIMY TIDGKKNRVT DLGAAASSRL SGVLPYGQEG RSDHESFHAL DATA SEQUENCE GIPAALFIHA PVEPWYHTPN DTLDKISKEK LDNVADIVGS AVYQAARPGE DATA SEQUENCE LVIEPIDYPR RN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.687 177.584 0.171 0.000 1.274 5 A CA 0.000 52.115 52.037 0.130 0.000 0.836 5 A CB 0.000 19.078 19.000 0.131 0.000 0.831 6 D N 0.666 121.108 120.400 0.071 0.000 2.182 6 D HA -0.143 4.511 4.640 0.023 0.000 0.201 6 D C 1.361 177.733 176.300 0.121 0.000 0.986 6 D CA 1.629 55.681 54.000 0.087 0.000 0.847 6 D CB -0.578 40.257 40.800 0.059 0.000 0.942 6 D HN 0.811 nan 8.370 nan 0.000 0.467 7 H N 0.192 119.267 119.070 0.008 0.000 2.422 7 H HA -0.063 4.508 4.556 0.025 0.000 0.298 7 H C 1.959 177.251 175.328 -0.061 0.000 1.098 7 H CA 0.580 56.616 56.048 -0.020 0.000 1.315 7 H CB 0.331 30.090 29.762 -0.006 0.000 1.382 7 H HN 0.102 nan 8.280 nan 0.000 0.523 8 Q N 0.127 119.948 119.800 0.035 0.000 2.226 8 Q HA -0.118 4.236 4.340 0.023 0.000 0.204 8 Q C 2.139 178.011 176.000 -0.212 0.000 0.975 8 Q CA 0.818 56.549 55.803 -0.121 0.000 0.866 8 Q CB 0.241 28.831 28.738 -0.246 0.000 0.915 8 Q HN 0.561 nan 8.270 nan 0.000 0.440 9 I N 0.094 120.550 120.570 -0.191 0.000 2.499 9 I HA -0.129 4.055 4.170 0.023 0.000 0.243 9 I C 2.466 178.529 176.117 -0.090 0.000 1.085 9 I CA 1.609 62.804 61.300 -0.174 0.000 1.422 9 I CB -1.686 36.226 38.000 -0.147 0.000 1.165 9 I HN 0.194 nan 8.210 nan 0.000 0.440 10 T N 0.669 115.202 114.554 -0.034 0.000 2.849 10 T HA -0.216 4.148 4.350 0.023 0.000 0.270 10 T C 1.618 176.285 174.700 -0.055 0.000 1.066 10 T CA 1.488 63.573 62.100 -0.025 0.000 1.130 10 T CB -0.551 68.330 68.868 0.021 0.000 0.864 10 T HN 0.490 nan 8.240 nan 0.000 0.481 11 K N 0.714 121.073 120.400 -0.067 0.000 2.418 11 K HA 0.115 4.449 4.320 0.023 0.000 0.195 11 K C 2.171 178.725 176.600 -0.077 0.000 1.035 11 K CA 0.251 56.489 56.287 -0.082 0.000 1.003 11 K CB 0.039 32.487 32.500 -0.086 0.000 0.793 11 K HN 0.278 nan 8.250 nan 0.000 0.494 12 R N 1.171 121.620 120.500 -0.085 0.000 2.335 12 R HA 0.049 4.403 4.340 0.023 0.000 0.210 12 R C -0.073 176.172 176.300 -0.092 0.000 0.892 12 R CA 0.326 56.370 56.100 -0.093 0.000 1.048 12 R CB 0.801 31.033 30.300 -0.114 0.000 1.067 12 R HN 0.241 nan 8.270 nan 0.000 0.524 13 T N 0.299 114.804 114.554 -0.081 0.000 2.771 13 T HA 0.035 4.399 4.350 0.023 0.000 0.277 13 T C -0.134 174.534 174.700 -0.054 0.000 0.919 13 T CA -0.307 61.750 62.100 -0.071 0.000 1.163 13 T CB 0.649 69.484 68.868 -0.055 0.000 0.876 13 T HN -0.115 nan 8.240 nan 0.000 0.545 14 D N 2.669 123.034 120.400 -0.058 0.000 2.380 14 D HA 0.375 5.029 4.640 0.023 0.000 0.230 14 D C 1.092 177.385 176.300 -0.011 0.000 1.154 14 D CA -0.410 53.568 54.000 -0.038 0.000 0.859 14 D CB 1.155 41.928 40.800 -0.045 0.000 1.045 14 D HN 0.637 nan 8.370 nan 0.000 0.495 15 A N 4.566 127.385 122.820 -0.001 0.000 2.015 15 A HA -0.132 4.202 4.320 0.023 0.000 0.219 15 A C 1.814 179.433 177.584 0.058 0.000 1.163 15 A CA 0.894 52.947 52.037 0.026 0.000 0.646 15 A CB -0.015 18.992 19.000 0.012 0.000 0.806 15 A HN 0.511 nan 8.150 nan 0.000 0.448 16 E N 0.684 120.907 120.200 0.037 0.000 2.072 16 E HA -0.143 4.221 4.350 0.023 0.000 0.191 16 E C 1.547 178.216 176.600 0.114 0.000 0.985 16 E CA 0.995 57.435 56.400 0.068 0.000 0.801 16 E CB -0.510 29.206 29.700 0.027 0.000 0.750 16 E HN 0.553 nan 8.360 nan 0.000 0.452 17 N N 0.890 119.631 118.700 0.068 0.000 2.069 17 N HA -0.113 4.641 4.740 0.023 0.000 0.191 17 N C 1.924 177.489 175.510 0.092 0.000 1.031 17 N CA 1.237 54.327 53.050 0.067 0.000 0.852 17 N CB -0.318 38.181 38.487 0.019 0.000 1.018 17 N HN 0.212 nan 8.380 nan 0.000 0.423 18 M N -0.974 118.677 119.600 0.085 0.000 2.117 18 M HA -0.178 4.316 4.480 0.023 0.000 0.262 18 M C 1.968 178.345 176.300 0.129 0.000 1.065 18 M CA 1.256 56.611 55.300 0.091 0.000 1.114 18 M CB -0.472 32.173 32.600 0.076 0.000 1.361 18 M HN 0.137 nan 8.290 nan 0.000 0.408 19 Y N 1.898 122.218 120.300 0.034 0.000 2.181 19 Y HA -0.250 4.314 4.550 0.023 0.000 0.288 19 Y C 2.110 178.038 175.900 0.047 0.000 1.146 19 Y CA 1.766 59.888 58.100 0.036 0.000 1.164 19 Y CB -0.343 38.132 38.460 0.025 0.000 0.982 19 Y HN 0.265 nan 8.280 nan 0.000 0.515 20 N N -0.709 118.085 118.700 0.157 0.000 2.166 20 N HA -0.149 4.605 4.740 0.023 0.000 0.186 20 N C 1.767 177.318 175.510 0.069 0.000 1.019 20 N CA 1.846 54.953 53.050 0.094 0.000 0.856 20 N CB -0.764 37.807 38.487 0.140 0.000 0.993 20 N HN 0.370 nan 8.380 nan 0.000 0.426 21 T N 1.654 116.267 114.554 0.099 0.000 2.708 21 T HA 0.026 4.391 4.350 0.023 0.000 0.266 21 T C 2.065 176.791 174.700 0.044 0.000 1.037 21 T CA 0.680 62.868 62.100 0.146 0.000 1.146 21 T CB -0.145 68.811 68.868 0.147 0.000 0.865 21 T HN 0.189 nan 8.240 nan 0.000 0.435 22 I N 1.041 121.590 120.570 -0.035 0.000 2.286 22 I HA -0.168 4.016 4.170 0.023 0.000 0.248 22 I C 2.936 178.947 176.117 -0.176 0.000 1.115 22 I CA 1.055 62.296 61.300 -0.099 0.000 1.392 22 I CB -0.443 37.484 38.000 -0.122 0.000 1.065 22 I HN 0.220 nan 8.210 nan 0.000 0.418 23 Q N 1.236 120.885 119.800 -0.253 0.000 2.050 23 Q HA -0.260 4.094 4.340 0.023 0.000 0.202 23 Q C 2.255 178.156 176.000 -0.165 0.000 0.980 23 Q CA 2.043 57.699 55.803 -0.246 0.000 0.840 23 Q CB -0.446 28.144 28.738 -0.246 0.000 0.898 23 Q HN 0.482 nan 8.270 nan 0.000 0.424 24 F N 0.870 120.672 119.950 -0.247 0.000 2.102 24 F HA -0.151 4.390 4.527 0.023 0.000 0.298 24 F C 2.073 177.671 175.800 -0.336 0.000 1.105 24 F CA 1.274 59.077 58.000 -0.329 0.000 1.239 24 F CB -0.304 38.354 39.000 -0.570 0.000 0.991 24 F HN 0.049 nan 8.300 nan 0.000 0.474 25 L N -0.033 120.995 121.223 -0.326 0.000 2.141 25 L HA -0.152 4.202 4.340 0.023 0.000 0.209 25 L C 2.116 178.825 176.870 -0.268 0.000 1.094 25 L CA 1.356 56.014 54.840 -0.302 0.000 0.763 25 L CB -0.862 41.153 42.059 -0.074 0.000 0.908 25 L HN 0.298 nan 8.230 nan 0.000 0.437 26 S N -1.577 113.994 115.700 -0.216 0.000 2.679 26 S HA 0.045 4.529 4.470 0.023 0.000 0.233 26 S C 1.294 175.785 174.600 -0.181 0.000 0.951 26 S CA -0.365 57.740 58.200 -0.159 0.000 0.973 26 S CB 0.100 63.233 63.200 -0.111 0.000 0.778 26 S HN 0.414 nan 8.310 nan 0.000 0.477 27 Q N 0.741 120.384 119.800 -0.261 0.000 2.297 27 Q HA 0.293 4.647 4.340 0.023 0.000 0.204 27 Q C 0.732 176.631 176.000 -0.170 0.000 0.962 27 Q CA 0.941 56.608 55.803 -0.228 0.000 0.879 27 Q CB 0.019 28.573 28.738 -0.307 0.000 0.947 27 Q HN 0.812 nan 8.270 nan 0.000 0.462 28 A N 0.323 123.045 122.820 -0.163 0.000 2.608 28 A HA 0.537 4.871 4.320 0.023 0.000 0.292 28 A C -2.849 174.686 177.584 -0.082 0.000 1.066 28 A CA -1.435 50.536 52.037 -0.110 0.000 0.676 28 A CB 0.912 19.848 19.000 -0.108 0.000 1.277 28 A HN -0.194 nan 8.150 nan 0.000 0.413 29 P HA 0.333 nan 4.420 nan 0.000 0.269 29 P C -0.677 176.620 177.300 -0.004 0.000 1.215 29 P CA 0.112 63.202 63.100 -0.017 0.000 0.780 29 P CB 0.346 32.039 31.700 -0.012 0.000 0.898 30 R N 1.324 121.844 120.500 0.034 0.000 2.860 30 R HA 0.289 4.643 4.340 0.023 0.000 0.282 30 R C -0.844 175.522 176.300 0.110 0.000 1.408 30 R CA -0.616 55.524 56.100 0.067 0.000 1.636 30 R CB 0.275 30.631 30.300 0.093 0.000 1.187 30 R HN 0.255 nan 8.270 nan 0.000 0.611 31 V N 1.948 121.913 119.914 0.086 0.000 2.585 31 V HA 0.060 4.194 4.120 0.023 0.000 0.296 31 V C 1.088 177.281 176.094 0.165 0.000 1.035 31 V CA -0.291 62.074 62.300 0.107 0.000 1.084 31 V CB 0.862 32.730 31.823 0.075 0.000 0.953 31 V HN 0.661 nan 8.190 nan 0.000 0.483 32 A N 4.466 127.412 122.820 0.210 0.000 2.567 32 A HA 0.452 4.786 4.320 0.023 0.000 0.240 32 A C 1.598 179.410 177.584 0.380 0.000 1.053 32 A CA 0.585 52.798 52.037 0.293 0.000 0.755 32 A CB -0.603 18.532 19.000 0.226 0.000 0.978 32 A HN 2.262 nan 8.150 nan 0.000 0.507 33 G N 1.375 110.371 108.800 0.325 0.000 2.179 33 G HA2 -0.176 3.798 3.960 0.023 0.000 0.260 33 G HA3 -0.176 3.798 3.960 0.023 0.000 0.260 33 G C 0.569 175.539 174.900 0.115 0.000 0.977 33 G CA 1.099 46.325 45.100 0.209 0.000 0.641 33 G HN 2.209 nan 8.290 nan 0.000 0.533 34 S N -0.514 115.259 115.700 0.122 0.000 2.713 34 S HA 0.741 5.225 4.470 0.023 0.000 0.283 34 S C -0.978 173.659 174.600 0.061 0.000 1.161 34 S CA -0.714 57.529 58.200 0.072 0.000 0.999 34 S CB 2.471 65.709 63.200 0.062 0.000 1.039 34 S HN -0.078 nan 8.310 nan 0.000 0.548 35 P HA -0.028 nan 4.420 nan 0.000 0.218 35 P C 1.224 178.534 177.300 0.017 0.000 1.149 35 P CA 0.928 64.042 63.100 0.023 0.000 0.817 35 P CB 0.088 31.794 31.700 0.009 0.000 0.785 36 E N -0.380 119.828 120.200 0.013 0.000 2.107 36 E HA -0.182 4.182 4.350 0.023 0.000 0.191 36 E C 1.956 178.566 176.600 0.016 0.000 0.982 36 E CA 0.916 57.313 56.400 -0.005 0.000 0.809 36 E CB -0.434 29.254 29.700 -0.019 0.000 0.756 36 E HN 0.460 nan 8.360 nan 0.000 0.459 37 E N 0.477 120.711 120.200 0.057 0.000 2.106 37 E HA -0.155 4.209 4.350 0.023 0.000 0.192 37 E C 2.130 178.743 176.600 0.022 0.000 0.984 37 E CA 0.346 56.796 56.400 0.083 0.000 0.806 37 E CB 0.041 29.848 29.700 0.179 0.000 0.750 37 E HN 0.046 nan 8.360 nan 0.000 0.458 38 L N 1.871 123.114 121.223 0.034 0.000 2.046 38 L HA -0.182 4.172 4.340 0.023 0.000 0.208 38 L C 2.324 179.173 176.870 -0.035 0.000 1.077 38 L CA 1.946 56.774 54.840 -0.020 0.000 0.747 38 L CB -0.495 41.566 42.059 0.004 0.000 0.896 38 L HN -0.013 nan 8.230 nan 0.000 0.432 39 K N -0.762 119.642 120.400 0.006 0.000 2.063 39 K HA -0.192 4.142 4.320 0.023 0.000 0.208 39 K C 1.957 178.618 176.600 0.101 0.000 1.048 39 K CA 1.427 57.746 56.287 0.053 0.000 0.928 39 K CB -0.231 32.294 32.500 0.043 0.000 0.713 39 K HN 0.454 nan 8.250 nan 0.000 0.442 40 A N 0.589 123.437 122.820 0.047 0.000 1.930 40 A HA -0.091 4.243 4.320 0.023 0.000 0.217 40 A C 2.226 179.802 177.584 -0.013 0.000 1.175 40 A CA 1.464 53.541 52.037 0.068 0.000 0.627 40 A CB -0.555 18.448 19.000 0.005 0.000 0.815 40 A HN 0.176 nan 8.150 nan 0.000 0.443 41 V N 0.256 120.074 119.914 -0.161 0.000 2.287 41 V HA -0.255 3.879 4.120 0.023 0.000 0.248 41 V C 2.757 178.801 176.094 -0.084 0.000 1.053 41 V CA 2.111 64.288 62.300 -0.204 0.000 1.027 41 V CB -0.756 30.912 31.823 -0.259 0.000 0.646 41 V HN 0.471 nan 8.190 nan 0.000 0.447 42 R N -1.109 119.360 120.500 -0.052 0.000 2.081 42 R HA -0.172 4.182 4.340 0.023 0.000 0.235 42 R C 2.195 178.482 176.300 -0.021 0.000 1.131 42 R CA 1.887 57.966 56.100 -0.035 0.000 0.960 42 R CB -0.841 29.451 30.300 -0.013 0.000 0.856 42 R HN 0.665 nan 8.270 nan 0.000 0.436 43 Y N 1.361 121.604 120.300 -0.095 0.000 2.145 43 Y HA -0.152 4.412 4.550 0.023 0.000 0.286 43 Y C 2.219 177.993 175.900 -0.209 0.000 1.145 43 Y CA 1.483 59.474 58.100 -0.182 0.000 1.148 43 Y CB -0.370 38.008 38.460 -0.137 0.000 0.981 43 Y HN -0.104 nan 8.280 nan 0.000 0.507 44 I N 0.326 120.857 120.570 -0.065 0.000 2.226 44 I HA -0.305 3.879 4.170 0.023 0.000 0.245 44 I C 2.563 178.536 176.117 -0.239 0.000 1.100 44 I CA 1.893 63.059 61.300 -0.223 0.000 1.374 44 I CB -0.540 37.432 38.000 -0.045 0.000 1.057 44 I HN 0.357 nan 8.210 nan 0.000 0.413 45 E N 0.711 120.867 120.200 -0.074 0.000 2.058 45 E HA -0.291 4.073 4.350 0.023 0.000 0.194 45 E C 2.211 178.742 176.600 -0.114 0.000 0.997 45 E CA 1.380 57.778 56.400 -0.004 0.000 0.801 45 E CB 0.052 29.733 29.700 -0.031 0.000 0.746 45 E HN 0.412 nan 8.360 nan 0.000 0.450 46 Q N -0.125 119.536 119.800 -0.232 0.000 2.124 46 Q HA -0.166 4.188 4.340 0.023 0.000 0.202 46 Q C 2.161 177.896 176.000 -0.441 0.000 0.977 46 Q CA 1.161 56.788 55.803 -0.295 0.000 0.850 46 Q CB -0.205 28.346 28.738 -0.312 0.000 0.901 46 Q HN 0.387 nan 8.270 nan 0.000 0.429 47 Q N -0.481 118.925 119.800 -0.657 0.000 2.079 47 Q HA -0.061 4.293 4.340 0.023 0.000 0.200 47 Q C 2.067 177.391 176.000 -1.128 0.000 0.974 47 Q CA 0.881 56.139 55.803 -0.909 0.000 0.840 47 Q CB -0.534 27.641 28.738 -0.939 0.000 0.898 47 Q HN 0.326 nan 8.270 nan 0.000 0.430 48 F N 1.643 121.200 119.950 -0.655 0.000 2.126 48 F HA -0.157 4.384 4.527 0.023 0.000 0.299 48 F C 2.257 177.925 175.800 -0.220 0.000 1.096 48 F CA 1.153 58.903 58.000 -0.417 0.000 1.255 48 F CB -0.379 38.481 39.000 -0.232 0.000 0.997 48 F HN 0.065 nan 8.300 nan 0.000 0.479 49 K N 0.020 120.404 120.400 -0.027 0.000 2.063 49 K HA -0.168 4.166 4.320 0.023 0.000 0.208 49 K C 2.251 178.810 176.600 -0.068 0.000 1.048 49 K CA 1.747 58.024 56.287 -0.017 0.000 0.928 49 K CB -0.524 31.941 32.500 -0.060 0.000 0.713 49 K HN 0.330 nan 8.250 nan 0.000 0.442 50 S N 0.336 115.901 115.700 -0.224 0.000 2.442 50 S HA -0.166 4.318 4.470 0.023 0.000 0.236 50 S C 1.749 176.355 174.600 0.011 0.000 1.007 50 S CA 0.847 58.948 58.200 -0.165 0.000 0.965 50 S CB -0.629 62.416 63.200 -0.258 0.000 0.773 50 S HN 0.398 nan 8.310 nan 0.000 0.504 51 Y N 1.460 121.798 120.300 0.062 0.000 2.546 51 Y HA 0.323 4.887 4.550 0.024 0.000 0.287 51 Y C 2.040 177.929 175.900 -0.018 0.000 1.158 51 Y CA -0.299 57.845 58.100 0.074 0.000 1.307 51 Y CB -0.074 38.533 38.460 0.246 0.000 1.036 51 Y HN 0.510 nan 8.280 nan 0.000 0.532 52 G N -0.707 108.157 108.800 0.106 0.000 2.144 52 G HA2 -0.278 3.696 3.960 0.023 0.000 0.218 52 G HA3 -0.278 3.696 3.960 0.023 0.000 0.218 52 G C -0.383 174.472 174.900 -0.074 0.000 0.988 52 G CA -0.616 44.471 45.100 -0.023 0.000 0.659 52 G HN 0.304 nan 8.290 nan 0.000 0.522 53 Y N 0.196 120.546 120.300 0.083 0.000 2.307 53 Y HA 0.575 5.139 4.550 0.023 0.000 0.324 53 Y C 0.940 176.880 175.900 0.067 0.000 1.238 53 Y CA -0.254 57.891 58.100 0.075 0.000 1.280 53 Y CB 0.753 39.241 38.460 0.046 0.000 1.248 53 Y HN 0.331 nan 8.280 nan 0.000 0.508 54 H N 1.465 120.635 119.070 0.166 0.000 2.620 54 H HA 0.553 5.123 4.556 0.023 0.000 0.313 54 H C -1.316 174.059 175.328 0.078 0.000 1.075 54 H CA -0.445 55.658 56.048 0.092 0.000 1.397 54 H CB 0.461 30.265 29.762 0.069 0.000 1.446 54 H HN 0.386 nan 8.280 nan 0.000 0.493 55 V N 5.594 125.282 119.914 -0.377 0.000 2.628 55 V HA 0.331 4.465 4.120 0.023 0.000 0.306 55 V C -0.304 175.609 176.094 -0.302 0.000 1.045 55 V CA -0.864 61.281 62.300 -0.259 0.000 0.905 55 V CB 1.765 33.521 31.823 -0.111 0.000 0.997 55 V HN 0.801 nan 8.190 nan 0.000 0.436 56 E N 2.218 122.339 120.200 -0.131 0.000 2.238 56 E HA 0.596 4.960 4.350 0.023 0.000 0.267 56 E C -1.452 175.173 176.600 0.042 0.000 0.887 56 E CA -0.588 55.796 56.400 -0.026 0.000 0.769 56 E CB 2.689 32.429 29.700 0.066 0.000 1.187 56 E HN 0.357 nan 8.360 nan 0.000 0.416 57 V N 2.654 122.618 119.914 0.083 0.000 2.350 57 V HA 0.206 4.340 4.120 0.023 0.000 0.285 57 V C -0.030 176.197 176.094 0.222 0.000 1.014 57 V CA -0.688 61.699 62.300 0.145 0.000 0.831 57 V CB 1.515 33.395 31.823 0.094 0.000 1.000 57 V HN 0.515 nan 8.190 nan 0.000 0.433 58 Q N 8.005 127.980 119.800 0.293 0.000 2.331 58 Q HA 0.412 4.766 4.340 0.023 0.000 0.257 58 Q C -2.493 173.733 176.000 0.375 0.000 0.957 58 Q CA -1.694 54.306 55.803 0.328 0.000 0.923 58 Q CB 2.151 31.116 28.738 0.378 0.000 1.212 58 Q HN 0.472 nan 8.270 nan 0.000 0.443 59 P HA 0.374 nan 4.420 nan 0.000 0.281 59 P C -1.226 176.186 177.300 0.186 0.000 1.264 59 P CA -0.341 62.795 63.100 0.060 0.000 0.824 59 P CB 0.662 32.390 31.700 0.046 0.000 1.092 60 F N -2.642 117.306 119.950 -0.003 0.000 2.688 60 F HA 0.467 5.008 4.527 0.024 0.000 0.308 60 F C -1.222 174.642 175.800 0.108 0.000 1.117 60 F CA -1.051 56.993 58.000 0.073 0.000 0.976 60 F CB 0.889 39.957 39.000 0.113 0.000 1.291 60 F HN 0.178 nan 8.300 nan 0.000 0.439 61 Q N 2.537 122.514 119.800 0.295 0.000 2.215 61 Q HA 0.791 5.145 4.340 0.023 0.000 0.256 61 Q C -1.436 174.815 176.000 0.418 0.000 0.972 61 Q CA -0.957 54.963 55.803 0.195 0.000 0.889 61 Q CB 2.932 31.714 28.738 0.074 0.000 1.281 61 Q HN 0.737 nan 8.270 nan 0.000 0.456 62 F N -2.507 117.537 119.950 0.157 0.000 2.719 62 F HA 0.360 4.902 4.527 0.024 0.000 0.309 62 F C -1.118 174.776 175.800 0.157 0.000 1.138 62 F CA -1.225 56.882 58.000 0.178 0.000 0.943 62 F CB 1.148 40.302 39.000 0.257 0.000 1.304 62 F HN 0.220 nan 8.300 nan 0.000 0.445 63 E N 2.044 122.395 120.200 0.253 0.000 2.217 63 E HA 0.358 4.723 4.350 0.023 0.000 0.279 63 E C 0.149 176.971 176.600 0.370 0.000 1.068 63 E CA 0.062 56.587 56.400 0.208 0.000 0.882 63 E CB 1.313 31.176 29.700 0.271 0.000 1.039 63 E HN 0.922 nan 8.360 nan 0.000 0.418 64 G N 2.311 111.165 108.800 0.090 0.000 2.477 64 G HA2 0.279 4.253 3.960 0.023 0.000 0.304 64 G HA3 0.279 4.253 3.960 0.023 0.000 0.304 64 G C -1.303 173.698 174.900 0.169 0.000 1.175 64 G CA -0.309 44.892 45.100 0.169 0.000 0.907 64 G HN 0.429 nan 8.290 nan 0.000 0.509 65 Y N 0.046 120.267 120.300 -0.131 0.000 2.361 65 Y HA 0.532 5.096 4.550 0.024 0.000 0.337 65 Y C -0.149 175.653 175.900 -0.162 0.000 0.965 65 Y CA -0.833 57.097 58.100 -0.282 0.000 1.091 65 Y CB 2.102 40.102 38.460 -0.767 0.000 1.182 65 Y HN 0.456 nan 8.280 nan 0.000 0.450 66 T N 6.303 120.465 114.554 -0.654 0.000 2.753 66 T HA 0.625 4.989 4.350 0.023 0.000 0.297 66 T C 0.018 174.211 174.700 -0.844 0.000 0.981 66 T CA -0.400 61.382 62.100 -0.531 0.000 0.956 66 T CB 0.358 69.043 68.868 -0.305 0.000 0.936 66 T HN 0.875 nan 8.240 nan 0.000 0.463 67 A N 6.384 128.849 122.820 -0.591 0.000 2.586 67 A HA 0.337 4.671 4.320 0.023 0.000 0.231 67 A C -1.705 175.713 177.584 -0.276 0.000 1.055 67 A CA -0.894 50.904 52.037 -0.398 0.000 0.756 67 A CB -0.356 18.558 19.000 -0.143 0.000 0.988 67 A HN 0.544 nan 8.150 nan 0.000 0.509 68 P HA 0.042 nan 4.420 nan 0.000 0.268 68 P C 0.805 178.068 177.300 -0.061 0.000 1.205 68 P CA 0.431 63.484 63.100 -0.079 0.000 0.771 68 P CB 0.921 32.622 31.700 0.002 0.000 0.858 69 S N 1.075 116.743 115.700 -0.052 0.000 2.419 69 S HA -0.124 4.360 4.470 0.023 0.000 0.233 69 S C 0.566 175.151 174.600 -0.025 0.000 1.016 69 S CA 0.709 58.885 58.200 -0.040 0.000 0.974 69 S CB -0.323 62.856 63.200 -0.034 0.000 0.786 69 S HN 0.723 nan 8.310 nan 0.000 0.492 70 E N -0.568 119.623 120.200 -0.015 0.000 2.381 70 E HA 0.456 4.820 4.350 0.023 0.000 0.286 70 E C -2.196 174.408 176.600 0.006 0.000 0.960 70 E CA -0.661 55.736 56.400 -0.006 0.000 0.793 70 E CB 2.194 31.891 29.700 -0.004 0.000 1.225 70 E HN 0.043 nan 8.360 nan 0.000 0.420 71 V N 3.428 123.346 119.914 0.008 0.000 2.304 71 V HA 0.340 4.474 4.120 0.023 0.000 0.278 71 V C -0.420 175.684 176.094 0.017 0.000 1.018 71 V CA -0.502 61.809 62.300 0.018 0.000 0.814 71 V CB 1.344 33.178 31.823 0.018 0.000 1.021 71 V HN 0.668 nan 8.190 nan 0.000 0.440 72 T N 6.596 121.162 114.554 0.021 0.000 2.753 72 T HA 0.587 4.951 4.350 0.023 0.000 0.297 72 T C -0.549 174.165 174.700 0.025 0.000 0.981 72 T CA -0.162 61.949 62.100 0.019 0.000 0.956 72 T CB 1.083 69.960 68.868 0.016 0.000 0.936 72 T HN 0.364 nan 8.240 nan 0.000 0.463 73 L N 4.222 125.460 121.223 0.024 0.000 2.341 73 L HA 0.671 5.025 4.340 0.023 0.000 0.278 73 L C -0.878 176.006 176.870 0.022 0.000 1.005 73 L CA -0.312 54.546 54.840 0.029 0.000 0.818 73 L CB 1.075 43.155 42.059 0.036 0.000 1.259 73 L HN 0.462 nan 8.230 nan 0.000 0.418 74 K N 5.582 125.995 120.400 0.022 0.000 2.513 74 K HA 0.488 4.822 4.320 0.023 0.000 0.251 74 K C -1.475 175.134 176.600 0.016 0.000 0.939 74 K CA -0.682 55.615 56.287 0.016 0.000 0.793 74 K CB 2.299 34.807 32.500 0.014 0.000 1.241 74 K HN 0.367 nan 8.250 nan 0.000 0.431 75 I N 3.011 123.587 120.570 0.010 0.000 2.313 75 I HA 0.196 4.380 4.170 0.023 0.000 0.286 75 I C 1.123 177.243 176.117 0.005 0.000 1.091 75 I CA 0.668 61.972 61.300 0.007 0.000 1.216 75 I CB 0.464 38.464 38.000 -0.000 0.000 1.434 75 I HN 1.018 nan 8.210 nan 0.000 0.487 76 G N 4.596 113.401 108.800 0.007 0.000 5.452 76 G HA2 -0.410 3.564 3.960 0.023 0.000 0.310 76 G HA3 -0.410 3.564 3.960 0.023 0.000 0.310 76 G C 1.000 175.903 174.900 0.006 0.000 1.392 76 G CA 0.947 46.050 45.100 0.006 0.000 0.942 76 G HN 0.544 nan 8.290 nan 0.000 0.776 77 T N 0.386 114.942 114.554 0.004 0.000 3.168 77 T HA 0.297 4.661 4.350 0.023 0.000 0.261 77 T C 0.552 175.254 174.700 0.003 0.000 0.931 77 T CA 1.135 63.237 62.100 0.004 0.000 0.949 77 T CB 0.148 69.018 68.868 0.002 0.000 1.229 77 T HN 0.567 nan 8.240 nan 0.000 0.504 78 E N 2.393 122.594 120.200 0.002 0.000 2.392 78 E HA 0.194 4.558 4.350 0.023 0.000 0.264 78 E C -0.456 176.146 176.600 0.003 0.000 1.024 78 E CA 0.061 56.462 56.400 0.001 0.000 0.903 78 E CB 0.904 30.603 29.700 -0.002 0.000 0.963 78 E HN 0.226 nan 8.360 nan 0.000 0.432 79 K N 3.019 123.421 120.400 0.004 0.000 2.211 79 K HA 0.167 4.501 4.320 0.023 0.000 0.275 79 K C -0.503 176.100 176.600 0.006 0.000 1.024 79 K CA -0.591 55.699 56.287 0.006 0.000 0.887 79 K CB 0.631 33.134 32.500 0.005 0.000 1.084 79 K HN 0.197 nan 8.250 nan 0.000 0.463 80 K N 2.144 122.549 120.400 0.009 0.000 2.245 80 K HA 0.182 4.516 4.320 0.023 0.000 0.234 80 K C -0.763 175.844 176.600 0.011 0.000 1.021 80 K CA -0.632 55.661 56.287 0.009 0.000 0.898 80 K CB 1.586 34.094 32.500 0.013 0.000 1.163 80 K HN 0.682 nan 8.250 nan 0.000 0.459 81 E N 0.289 120.495 120.200 0.010 0.000 2.146 81 E HA 0.426 4.790 4.350 0.023 0.000 0.282 81 E C -0.838 175.767 176.600 0.008 0.000 0.989 81 E CA -0.550 55.854 56.400 0.006 0.000 0.799 81 E CB 0.924 30.625 29.700 0.002 0.000 1.088 81 E HN 0.676 nan 8.360 nan 0.000 0.397 82 G N 3.707 112.510 108.800 0.004 0.000 2.682 82 G HA2 0.299 4.273 3.960 0.023 0.000 0.300 82 G HA3 0.299 4.273 3.960 0.023 0.000 0.300 82 G C -1.206 173.680 174.900 -0.022 0.000 1.391 82 G CA -0.611 44.491 45.100 0.003 0.000 0.990 82 G HN 0.434 nan 8.290 nan 0.000 0.501 83 E N 0.928 121.086 120.200 -0.071 0.000 2.129 83 E HA 0.505 4.869 4.350 0.023 0.000 0.268 83 E C 0.212 176.725 176.600 -0.146 0.000 0.900 83 E CA -0.638 55.694 56.400 -0.114 0.000 0.755 83 E CB 1.984 31.580 29.700 -0.173 0.000 1.117 83 E HN 0.703 nan 8.360 nan 0.000 0.410 84 A N 3.982 126.780 122.820 -0.037 0.000 2.520 84 A HA 0.243 4.577 4.320 0.023 0.000 0.245 84 A C -0.231 177.356 177.584 0.005 0.000 1.072 84 A CA -0.122 51.949 52.037 0.057 0.000 0.761 84 A CB -0.322 18.745 19.000 0.111 0.000 1.004 84 A HN 0.427 nan 8.150 nan 0.000 0.499 85 F N 1.347 121.238 119.950 -0.097 0.000 2.506 85 F HA 0.235 4.776 4.527 0.023 0.000 0.351 85 F C 1.858 177.538 175.800 -0.201 0.000 1.136 85 F CA 0.735 58.629 58.000 -0.176 0.000 1.298 85 F CB 0.470 39.320 39.000 -0.250 0.000 1.145 85 F HN 0.679 nan 8.300 nan 0.000 0.593 86 T N -0.281 114.226 114.554 -0.079 0.000 2.928 86 T HA 0.120 4.484 4.350 0.023 0.000 0.305 86 T C -0.384 173.881 174.700 -0.726 0.000 1.035 86 T CA -0.077 61.755 62.100 -0.447 0.000 1.145 86 T CB -0.265 68.475 68.868 -0.212 0.000 0.963 86 T HN 0.668 nan 8.240 nan 0.000 0.545 87 Y N -0.649 118.447 120.300 -2.007 0.000 4.838 87 Y HA -0.229 4.335 4.550 0.023 0.000 0.247 87 Y C 1.175 176.822 175.900 -0.421 0.000 1.009 87 Y CA 0.537 58.012 58.100 -1.042 0.000 2.046 87 Y CB -2.069 36.180 38.460 -0.352 0.000 1.549 87 Y HN 0.954 nan 8.280 nan 0.000 0.651 88 S N 1.883 117.428 115.700 -0.257 0.000 2.528 88 S HA 0.435 4.919 4.470 0.023 0.000 0.277 88 S C -1.846 172.866 174.600 0.187 0.000 1.297 88 S CA -1.151 57.067 58.200 0.031 0.000 1.052 88 S CB 0.989 64.245 63.200 0.093 0.000 0.917 88 S HN 0.036 nan 8.310 nan 0.000 0.492 89 P HA 0.193 nan 4.420 nan 0.000 0.274 89 P C -0.602 176.785 177.300 0.144 0.000 1.260 89 P CA -0.379 62.828 63.100 0.178 0.000 0.793 89 P CB 0.388 32.185 31.700 0.161 0.000 1.048 90 N N -0.989 117.782 118.700 0.117 0.000 2.493 90 N HA 0.505 5.259 4.740 0.023 0.000 0.275 90 N C -0.610 174.943 175.510 0.073 0.000 1.186 90 N CA -0.182 52.920 53.050 0.087 0.000 0.978 90 N CB 0.553 39.080 38.487 0.067 0.000 1.184 90 N HN 0.448 nan 8.380 nan 0.000 0.487 91 S N -0.635 115.101 115.700 0.060 0.000 2.567 91 S HA 0.395 4.879 4.470 0.023 0.000 0.270 91 S C -1.632 172.993 174.600 0.041 0.000 1.152 91 S CA -0.961 57.270 58.200 0.051 0.000 0.835 91 S CB 2.123 65.357 63.200 0.056 0.000 1.115 91 S HN 0.598 nan 8.310 nan 0.000 0.459 92 D N 0.499 120.921 120.400 0.036 0.000 3.285 92 D HA 0.384 5.038 4.640 0.023 0.000 0.273 92 D C -1.406 174.910 176.300 0.028 0.000 1.295 92 D CA -0.143 53.874 54.000 0.030 0.000 0.762 92 D CB 1.175 41.990 40.800 0.025 0.000 1.379 92 D HN 0.595 nan 8.370 nan 0.000 0.612 93 V N 1.329 121.261 119.914 0.031 0.000 2.769 93 V HA 0.852 4.986 4.120 0.023 0.000 0.312 93 V C -0.789 175.322 176.094 0.027 0.000 1.061 93 V CA -0.166 62.151 62.300 0.029 0.000 0.931 93 V CB 2.020 33.862 31.823 0.031 0.000 1.010 93 V HN 0.453 nan 8.190 nan 0.000 0.433 94 T N 3.466 118.034 114.554 0.024 0.000 2.890 94 T HA 0.924 5.288 4.350 0.023 0.000 0.295 94 T C -0.543 174.170 174.700 0.022 0.000 0.993 94 T CA 0.123 62.236 62.100 0.023 0.000 0.979 94 T CB 1.281 70.160 68.868 0.019 0.000 0.967 94 T HN 1.619 nan 8.240 nan 0.000 0.441 95 A N 2.358 125.192 122.820 0.024 0.000 2.515 95 A HA 0.786 5.120 4.320 0.023 0.000 0.299 95 A C -0.768 176.831 177.584 0.024 0.000 1.179 95 A CA -1.077 50.974 52.037 0.023 0.000 0.656 95 A CB 0.885 19.899 19.000 0.024 0.000 1.306 95 A HN 0.977 nan 8.150 nan 0.000 0.459 96 E N -0.024 120.191 120.200 0.024 0.000 2.384 96 E HA 0.304 4.668 4.350 0.023 0.000 0.266 96 E C -1.078 175.543 176.600 0.034 0.000 1.012 96 E CA -0.333 56.083 56.400 0.026 0.000 0.901 96 E CB 0.510 30.225 29.700 0.024 0.000 0.967 96 E HN 0.525 nan 8.360 nan 0.000 0.435 97 L N 5.550 126.795 121.223 0.037 0.000 2.276 97 L HA 0.286 4.640 4.340 0.023 0.000 0.286 97 L C -1.259 175.649 176.870 0.064 0.000 1.061 97 L CA -0.372 54.498 54.840 0.050 0.000 0.807 97 L CB 1.418 43.505 42.059 0.046 0.000 1.177 97 L HN 0.367 nan 8.230 nan 0.000 0.429 98 V N 5.731 125.692 119.914 0.077 0.000 2.444 98 V HA 0.230 4.364 4.120 0.023 0.000 0.294 98 V C -0.869 175.307 176.094 0.137 0.000 1.022 98 V CA -0.775 61.580 62.300 0.092 0.000 0.850 98 V CB 1.178 33.034 31.823 0.056 0.000 0.992 98 V HN 0.610 nan 8.190 nan 0.000 0.426 99 Y N 5.960 126.282 120.300 0.036 0.000 2.436 99 Y HA 0.437 5.001 4.550 0.023 0.000 0.336 99 Y C 0.710 176.641 175.900 0.052 0.000 1.049 99 Y CA -0.432 57.702 58.100 0.056 0.000 1.294 99 Y CB 1.424 39.913 38.460 0.049 0.000 1.179 99 Y HN 0.472 nan 8.280 nan 0.000 0.520 100 V N 4.511 124.165 119.914 -0.434 0.000 2.915 100 V HA 0.585 4.719 4.120 0.023 0.000 0.364 100 V C 0.970 176.731 176.094 -0.555 0.000 1.354 100 V CA 0.050 62.106 62.300 -0.407 0.000 1.213 100 V CB -0.552 31.168 31.823 -0.171 0.000 1.268 100 V HN 1.253 nan 8.190 nan 0.000 0.557 101 G N 1.976 110.072 108.800 -1.173 0.000 2.596 101 G HA2 -0.345 3.629 3.960 0.023 0.000 0.304 101 G HA3 -0.345 3.629 3.960 0.023 0.000 0.304 101 G C 0.510 175.259 174.900 -0.253 0.000 1.189 101 G CA 0.679 45.391 45.100 -0.647 0.000 0.986 101 G HN 0.585 nan 8.290 nan 0.000 0.548 102 L N 2.404 123.531 121.223 -0.160 0.000 2.591 102 L HA 0.385 4.739 4.340 0.023 0.000 0.228 102 L C 2.272 179.066 176.870 -0.126 0.000 1.133 102 L CA 0.863 55.628 54.840 -0.126 0.000 0.880 102 L CB -0.378 41.620 42.059 -0.102 0.000 1.033 102 L HN 1.878 nan 8.230 nan 0.000 0.450 103 G N 0.887 109.608 108.800 -0.133 0.000 2.160 103 G HA2 -0.323 3.651 3.960 0.023 0.000 0.251 103 G HA3 -0.323 3.651 3.960 0.023 0.000 0.251 103 G C 0.517 175.367 174.900 -0.084 0.000 1.008 103 G CA 0.519 45.557 45.100 -0.103 0.000 0.724 103 G HN 0.441 nan 8.290 nan 0.000 0.514 104 T N -3.304 111.200 114.554 -0.084 0.000 2.734 104 T HA 0.408 4.772 4.350 0.023 0.000 0.314 104 T C 1.595 176.262 174.700 -0.055 0.000 1.057 104 T CA 1.055 63.115 62.100 -0.067 0.000 1.047 104 T CB 1.233 70.063 68.868 -0.063 0.000 0.991 104 T HN 0.713 nan 8.240 nan 0.000 0.540 105 T N -0.136 114.391 114.554 -0.045 0.000 2.849 105 T HA -0.075 4.289 4.350 0.023 0.000 0.270 105 T C 1.948 176.627 174.700 -0.035 0.000 1.066 105 T CA 1.592 63.670 62.100 -0.036 0.000 1.130 105 T CB -0.987 67.863 68.868 -0.031 0.000 0.864 105 T HN 0.778 nan 8.240 nan 0.000 0.481 106 A N 0.752 123.549 122.820 -0.039 0.000 1.911 106 A HA 0.104 4.438 4.320 0.023 0.000 0.212 106 A C 2.094 179.652 177.584 -0.042 0.000 1.189 106 A CA 1.262 53.278 52.037 -0.035 0.000 0.639 106 A CB -0.439 18.541 19.000 -0.033 0.000 0.839 106 A HN 0.460 nan 8.150 nan 0.000 0.449 107 D N 0.134 120.500 120.400 -0.057 0.000 2.149 107 D HA -0.143 4.511 4.640 0.023 0.000 0.198 107 D C 2.038 178.293 176.300 -0.074 0.000 0.990 107 D CA 1.995 55.949 54.000 -0.077 0.000 0.839 107 D CB -0.313 40.421 40.800 -0.109 0.000 0.948 107 D HN 0.474 nan 8.370 nan 0.000 0.460 108 V N -2.113 117.765 119.914 -0.060 0.000 3.354 108 V HA 0.305 4.439 4.120 0.023 0.000 0.258 108 V C 2.114 178.190 176.094 -0.031 0.000 1.159 108 V CA 0.840 63.112 62.300 -0.047 0.000 1.125 108 V CB -0.294 31.505 31.823 -0.040 0.000 0.774 108 V HN 0.071 nan 8.190 nan 0.000 0.464 109 A N 1.710 124.513 122.820 -0.029 0.000 1.933 109 A HA 0.086 4.420 4.320 0.023 0.000 0.218 109 A C 2.221 179.795 177.584 -0.017 0.000 1.175 109 A CA 1.835 53.859 52.037 -0.021 0.000 0.628 109 A CB -1.231 17.756 19.000 -0.021 0.000 0.814 109 A HN 0.743 nan 8.150 nan 0.000 0.444 110 G N -1.212 107.576 108.800 -0.019 0.000 2.985 110 G HA2 0.184 4.158 3.960 0.023 0.000 0.209 110 G HA3 0.184 4.158 3.960 0.023 0.000 0.209 110 G C 0.617 175.511 174.900 -0.010 0.000 1.165 110 G CA -0.050 45.042 45.100 -0.013 0.000 0.776 110 G HN 0.264 nan 8.290 nan 0.000 0.541 111 K N 0.554 120.946 120.400 -0.014 0.000 2.166 111 K HA 0.308 4.642 4.320 0.023 0.000 0.245 111 K C -1.454 175.145 176.600 -0.003 0.000 0.967 111 K CA -0.797 55.485 56.287 -0.007 0.000 0.863 111 K CB 1.871 34.362 32.500 -0.015 0.000 1.107 111 K HN -0.009 nan 8.250 nan 0.000 0.436 112 D N 1.986 122.388 120.400 0.004 0.000 2.485 112 D HA 0.189 4.843 4.640 0.023 0.000 0.221 112 D C 0.176 176.481 176.300 0.009 0.000 1.112 112 D CA -0.147 53.856 54.000 0.006 0.000 0.911 112 D CB -0.018 40.787 40.800 0.009 0.000 1.019 112 D HN 0.319 nan 8.370 nan 0.000 0.516 113 L N 2.685 123.913 121.223 0.007 0.000 2.640 113 L HA 0.216 4.570 4.340 0.023 0.000 0.230 113 L C 1.047 177.925 176.870 0.013 0.000 1.123 113 L CA -0.334 54.513 54.840 0.011 0.000 0.900 113 L CB -0.420 41.644 42.059 0.008 0.000 1.146 113 L HN 0.441 nan 8.230 nan 0.000 0.484 114 N N 1.361 120.068 118.700 0.011 0.000 2.386 114 N HA -0.051 4.703 4.740 0.023 0.000 0.273 114 N C 1.281 176.800 175.510 0.015 0.000 1.331 114 N CA 0.744 53.801 53.050 0.012 0.000 0.891 114 N CB 0.324 38.816 38.487 0.009 0.000 1.139 114 N HN 0.371 nan 8.380 nan 0.000 0.487 115 G N 2.437 111.247 108.800 0.017 0.000 2.189 115 G HA2 -0.321 3.653 3.960 0.023 0.000 0.267 115 G HA3 -0.321 3.653 3.960 0.023 0.000 0.267 115 G C -0.004 174.909 174.900 0.022 0.000 0.975 115 G CA 0.604 45.715 45.100 0.019 0.000 0.644 115 G HN 0.597 nan 8.290 nan 0.000 0.537 116 K N -0.611 119.803 120.400 0.023 0.000 2.240 116 K HA 0.757 5.091 4.320 0.023 0.000 0.237 116 K C 0.237 176.855 176.600 0.031 0.000 1.027 116 K CA -0.911 55.392 56.287 0.027 0.000 0.937 116 K CB 1.267 33.783 32.500 0.027 0.000 1.171 116 K HN 0.155 nan 8.250 nan 0.000 0.479 117 I N 1.443 122.035 120.570 0.037 0.000 2.354 117 I HA 0.251 4.435 4.170 0.023 0.000 0.292 117 I C -0.264 175.884 176.117 0.052 0.000 0.989 117 I CA -0.706 60.621 61.300 0.044 0.000 1.188 117 I CB 1.706 39.734 38.000 0.047 0.000 1.342 117 I HN 0.582 nan 8.210 nan 0.000 0.457 118 A N 6.802 129.652 122.820 0.051 0.000 2.309 118 A HA 0.633 4.967 4.320 0.023 0.000 0.298 118 A C -0.824 176.816 177.584 0.093 0.000 1.165 118 A CA -0.412 51.658 52.037 0.056 0.000 0.821 118 A CB 0.899 19.916 19.000 0.028 0.000 1.102 118 A HN 0.609 nan 8.150 nan 0.000 0.500 119 L N 3.877 125.182 121.223 0.137 0.000 2.280 119 L HA 0.658 5.012 4.340 0.023 0.000 0.287 119 L C -0.854 176.181 176.870 0.274 0.000 1.023 119 L CA -0.028 54.955 54.840 0.238 0.000 0.819 119 L CB 0.419 42.645 42.059 0.279 0.000 1.212 119 L HN 0.568 nan 8.230 nan 0.000 0.420 120 I N 4.075 124.799 120.570 0.255 0.000 2.509 120 I HA 0.401 4.585 4.170 0.023 0.000 0.293 120 I C -0.427 175.697 176.117 0.012 0.000 1.020 120 I CA -0.729 60.643 61.300 0.120 0.000 1.088 120 I CB 1.998 40.001 38.000 0.005 0.000 1.267 120 I HN 0.583 nan 8.210 nan 0.000 0.430 121 Q N 5.739 125.431 119.800 -0.180 0.000 2.243 121 Q HA 0.327 4.681 4.340 0.023 0.000 0.252 121 Q C -0.174 175.617 176.000 -0.349 0.000 0.909 121 Q CA -0.732 54.663 55.803 -0.680 0.000 0.922 121 Q CB 1.541 30.016 28.738 -0.438 0.000 1.215 121 Q HN 0.543 nan 8.270 nan 0.000 0.427 122 R N 1.976 122.284 120.500 -0.320 0.000 2.590 122 R HA 0.427 4.781 4.340 0.023 0.000 0.274 122 R C -0.500 175.687 176.300 -0.189 0.000 1.061 122 R CA 1.080 57.076 56.100 -0.174 0.000 1.081 122 R CB 0.220 30.518 30.300 -0.002 0.000 0.984 122 R HN 0.856 nan 8.270 nan 0.000 0.448 123 G N 2.042 110.703 108.800 -0.233 0.000 2.321 123 G HA2 -0.003 3.971 3.960 0.023 0.000 0.339 123 G HA3 -0.003 3.971 3.960 0.023 0.000 0.339 123 G C -0.658 174.136 174.900 -0.178 0.000 1.518 123 G CA -0.280 44.714 45.100 -0.176 0.000 0.994 123 G HN 0.745 nan 8.290 nan 0.000 0.668 124 N N -1.769 116.848 118.700 -0.138 0.000 3.662 124 N HA -0.312 4.442 4.740 0.023 0.000 0.214 124 N C 1.153 176.580 175.510 -0.139 0.000 0.173 124 N CA 3.029 56.008 53.050 -0.118 0.000 3.089 124 N CB -1.432 36.997 38.487 -0.097 0.000 1.212 124 N HN 1.676 nan 8.380 nan 0.000 0.333 125 I N -1.061 119.411 120.570 -0.164 0.000 3.062 125 I HA 0.548 4.732 4.170 0.023 0.000 0.318 125 I C 0.656 176.619 176.117 -0.256 0.000 1.026 125 I CA -0.749 60.452 61.300 -0.166 0.000 1.096 125 I CB 1.601 39.523 38.000 -0.130 0.000 1.348 125 I HN 0.374 nan 8.210 nan 0.000 0.543 126 S N 1.359 116.936 115.700 -0.205 0.000 2.592 126 S HA 0.298 4.782 4.470 0.023 0.000 0.271 126 S C 0.565 175.009 174.600 -0.260 0.000 1.326 126 S CA -0.500 57.556 58.200 -0.240 0.000 1.024 126 S CB 0.620 63.776 63.200 -0.072 0.000 0.921 126 S HN 0.580 nan 8.310 nan 0.000 0.527 127 F N 1.061 120.953 119.950 -0.097 0.000 2.202 127 F HA -0.059 4.482 4.527 0.023 0.000 0.301 127 F C 2.723 178.360 175.800 -0.272 0.000 1.082 127 F CA 1.252 59.117 58.000 -0.225 0.000 1.313 127 F CB -0.975 37.855 39.000 -0.282 0.000 1.024 127 F HN 0.762 nan 8.300 nan 0.000 0.495 128 A N 0.125 122.950 122.820 0.008 0.000 1.877 128 A HA -0.190 4.144 4.320 0.023 0.000 0.216 128 A C 2.057 179.724 177.584 0.140 0.000 1.186 128 A CA 2.024 54.082 52.037 0.036 0.000 0.620 128 A CB -0.777 18.334 19.000 0.185 0.000 0.822 128 A HN 0.285 nan 8.150 nan 0.000 0.443 129 D N -0.224 120.206 120.400 0.050 0.000 2.144 129 D HA -0.112 4.542 4.640 0.023 0.000 0.200 129 D C 1.925 178.227 176.300 0.003 0.000 0.978 129 D CA 1.328 55.346 54.000 0.029 0.000 0.833 129 D CB -0.215 40.572 40.800 -0.023 0.000 0.961 129 D HN 0.518 nan 8.370 nan 0.000 0.470 130 K N 0.556 120.927 120.400 -0.049 0.000 2.002 130 K HA -0.088 4.246 4.320 0.023 0.000 0.209 130 K C 2.281 178.857 176.600 -0.039 0.000 1.048 130 K CA 0.786 57.032 56.287 -0.067 0.000 0.930 130 K CB -0.225 32.210 32.500 -0.108 0.000 0.714 130 K HN -0.029 nan 8.250 nan 0.000 0.438 131 V N 1.308 121.187 119.914 -0.058 0.000 2.343 131 V HA -0.246 3.889 4.120 0.023 0.000 0.247 131 V C 2.414 178.583 176.094 0.125 0.000 1.051 131 V CA 1.783 64.066 62.300 -0.028 0.000 1.036 131 V CB -0.502 31.198 31.823 -0.205 0.000 0.654 131 V HN 0.278 nan 8.190 nan 0.000 0.451 132 R N 0.479 121.107 120.500 0.212 0.000 2.062 132 R HA -0.130 4.225 4.340 0.023 0.000 0.231 132 R C 2.301 178.639 176.300 0.062 0.000 1.136 132 R CA 1.793 57.997 56.100 0.173 0.000 0.948 132 R CB -0.301 30.088 30.300 0.150 0.000 0.845 132 R HN 0.534 nan 8.270 nan 0.000 0.430 133 N N 0.320 119.040 118.700 0.033 0.000 2.149 133 N HA -0.167 4.587 4.740 0.023 0.000 0.188 133 N C 1.524 177.034 175.510 0.001 0.000 1.019 133 N CA 1.600 54.651 53.050 0.002 0.000 0.857 133 N CB -0.302 38.174 38.487 -0.018 0.000 0.997 133 N HN 0.331 nan 8.380 nan 0.000 0.426 134 A N 0.851 123.674 122.820 0.005 0.000 1.929 134 A HA 0.182 4.516 4.320 0.023 0.000 0.216 134 A C 2.350 179.944 177.584 0.018 0.000 1.176 134 A CA 1.491 53.530 52.037 0.003 0.000 0.628 134 A CB -0.596 18.403 19.000 -0.001 0.000 0.816 134 A HN 0.296 nan 8.150 nan 0.000 0.444 135 A N 0.146 122.988 122.820 0.037 0.000 1.969 135 A HA -0.126 4.208 4.320 0.023 0.000 0.218 135 A C 2.023 179.621 177.584 0.024 0.000 1.169 135 A CA 1.651 53.714 52.037 0.043 0.000 0.635 135 A CB -0.394 18.653 19.000 0.079 0.000 0.810 135 A HN 0.529 nan 8.150 nan 0.000 0.445 136 K N -0.489 119.920 120.400 0.014 0.000 2.283 136 K HA -0.075 4.259 4.320 0.023 0.000 0.202 136 K C 1.278 177.878 176.600 0.000 0.000 1.048 136 K CA 0.939 57.226 56.287 0.001 0.000 0.948 136 K CB 0.016 32.512 32.500 -0.007 0.000 0.742 136 K HN 0.372 nan 8.250 nan 0.000 0.458 137 Q N -0.580 119.222 119.800 0.002 0.000 2.320 137 Q HA 0.081 4.435 4.340 0.023 0.000 0.201 137 Q C 0.934 176.938 176.000 0.005 0.000 0.910 137 Q CA 0.594 56.397 55.803 0.000 0.000 0.946 137 Q CB 1.258 29.994 28.738 -0.003 0.000 1.062 137 Q HN 0.537 nan 8.270 nan 0.000 0.503 138 G N 0.388 109.194 108.800 0.010 0.000 2.176 138 G HA2 -0.261 3.713 3.960 0.023 0.000 0.232 138 G HA3 -0.261 3.713 3.960 0.023 0.000 0.232 138 G C 0.387 175.298 174.900 0.018 0.000 0.986 138 G CA -0.035 45.073 45.100 0.013 0.000 0.643 138 G HN 0.555 nan 8.290 nan 0.000 0.522 139 A N 0.230 123.062 122.820 0.020 0.000 2.546 139 A HA 0.554 4.888 4.320 0.023 0.000 0.243 139 A C 1.407 179.010 177.584 0.032 0.000 1.063 139 A CA 1.017 53.069 52.037 0.025 0.000 0.757 139 A CB 0.373 19.387 19.000 0.024 0.000 0.991 139 A HN 0.180 nan 8.150 nan 0.000 0.503 140 K N 0.589 121.009 120.400 0.033 0.000 2.356 140 K HA 0.343 4.677 4.320 0.023 0.000 0.195 140 K C 0.460 177.086 176.600 0.043 0.000 1.037 140 K CA 1.195 57.504 56.287 0.037 0.000 1.014 140 K CB 0.084 32.604 32.500 0.033 0.000 0.815 140 K HN 0.901 nan 8.250 nan 0.000 0.507 141 A N -0.064 122.781 122.820 0.042 0.000 2.601 141 A HA 0.611 4.945 4.320 0.023 0.000 0.291 141 A C -1.486 176.122 177.584 0.040 0.000 1.075 141 A CA -0.635 51.428 52.037 0.045 0.000 0.671 141 A CB 1.516 20.546 19.000 0.049 0.000 1.277 141 A HN -0.149 nan 8.150 nan 0.000 0.417 142 V N 1.578 121.514 119.914 0.037 0.000 2.760 142 V HA 0.533 4.667 4.120 0.023 0.000 0.309 142 V C -1.107 175.027 176.094 0.067 0.000 1.077 142 V CA -0.484 61.835 62.300 0.032 0.000 0.910 142 V CB 1.798 33.608 31.823 -0.022 0.000 1.008 142 V HN 0.689 nan 8.190 nan 0.000 0.424 143 I N 5.483 126.116 120.570 0.105 0.000 2.382 143 I HA 0.529 4.713 4.170 0.023 0.000 0.286 143 I C -0.346 175.905 176.117 0.224 0.000 1.002 143 I CA -0.387 61.012 61.300 0.165 0.000 1.135 143 I CB 1.572 39.665 38.000 0.155 0.000 1.288 143 I HN 0.452 nan 8.210 nan 0.000 0.448 144 I N 7.373 128.109 120.570 0.277 0.000 2.404 144 I HA 0.335 4.519 4.170 0.023 0.000 0.293 144 I C -0.714 175.624 176.117 0.368 0.000 0.992 144 I CA -0.964 60.514 61.300 0.297 0.000 1.149 144 I CB 1.741 39.927 38.000 0.310 0.000 1.315 144 I HN 0.431 nan 8.210 nan 0.000 0.446 145 Y N 4.057 124.471 120.300 0.190 0.000 2.446 145 Y HA 0.531 5.095 4.550 0.024 0.000 0.338 145 Y C 0.098 176.090 175.900 0.154 0.000 1.055 145 Y CA -1.482 56.708 58.100 0.150 0.000 1.101 145 Y CB 0.229 38.754 38.460 0.109 0.000 1.221 145 Y HN 0.416 nan 8.280 nan 0.000 0.460 146 N N 1.443 120.277 118.700 0.222 0.000 2.267 146 N HA -0.076 4.678 4.740 0.023 0.000 0.226 146 N C -0.258 175.308 175.510 0.092 0.000 1.314 146 N CA 0.524 53.656 53.050 0.137 0.000 0.887 146 N CB 0.404 38.965 38.487 0.123 0.000 1.120 146 N HN 0.805 nan 8.380 nan 0.000 0.440 147 N N -1.398 117.342 118.700 0.067 0.000 2.210 147 N HA 0.046 4.800 4.740 0.023 0.000 0.203 147 N C -0.372 175.171 175.510 0.055 0.000 1.175 147 N CA 0.130 53.207 53.050 0.045 0.000 0.894 147 N CB 0.652 39.149 38.487 0.016 0.000 1.041 147 N HN 0.630 nan 8.380 nan 0.000 0.506 148 T N -3.482 111.109 114.554 0.062 0.000 2.696 148 T HA 0.398 4.762 4.350 0.023 0.000 0.291 148 T C -0.657 174.075 174.700 0.053 0.000 1.095 148 T CA -0.898 61.232 62.100 0.051 0.000 1.026 148 T CB 1.677 70.570 68.868 0.041 0.000 1.390 148 T HN -0.170 nan 8.240 nan 0.000 0.513 149 D N -0.788 119.636 120.400 0.041 0.000 2.384 149 D HA 0.498 5.152 4.640 0.023 0.000 0.244 149 D C 0.928 177.248 176.300 0.033 0.000 1.251 149 D CA 1.721 55.743 54.000 0.037 0.000 0.961 149 D CB -0.095 40.722 40.800 0.028 0.000 1.116 149 D HN 1.234 nan 8.370 nan 0.000 0.484 150 G N 0.465 109.281 108.800 0.026 0.000 2.785 150 G HA2 -0.174 3.801 3.960 0.023 0.000 0.685 150 G HA3 -0.174 3.801 3.960 0.023 0.000 0.685 150 G C -0.663 174.244 174.900 0.012 0.000 1.480 150 G CA -0.237 44.873 45.100 0.018 0.000 0.915 150 G HN 0.600 nan 8.290 nan 0.000 0.576 151 K N -0.705 119.691 120.400 -0.006 0.000 2.455 151 K HA 0.302 4.636 4.320 0.023 0.000 0.269 151 K C 0.927 177.497 176.600 -0.050 0.000 0.972 151 K CA -0.024 56.245 56.287 -0.030 0.000 0.938 151 K CB 0.373 32.841 32.500 -0.054 0.000 0.931 151 K HN 0.615 nan 8.250 nan 0.000 0.507 152 L N 3.233 124.402 121.223 -0.090 0.000 2.287 152 L HA 0.220 4.574 4.340 0.023 0.000 0.280 152 L C -0.908 175.743 176.870 -0.366 0.000 1.055 152 L CA -0.295 54.462 54.840 -0.138 0.000 0.863 152 L CB 0.133 42.160 42.059 -0.053 0.000 1.245 152 L HN 0.547 nan 8.230 nan 0.000 0.432 153 N N 3.941 122.461 118.700 -0.301 0.000 2.424 153 N HA 0.584 5.338 4.740 0.023 0.000 0.271 153 N C -0.132 175.138 175.510 -0.401 0.000 0.985 153 N CA -0.139 52.682 53.050 -0.381 0.000 0.921 153 N CB 2.172 40.539 38.487 -0.201 0.000 1.149 153 N HN 0.717 nan 8.380 nan 0.000 0.492 154 G N -0.501 107.938 108.800 -0.603 0.000 2.827 154 G HA2 0.568 4.543 3.960 0.023 0.000 0.296 154 G HA3 0.568 4.543 3.960 0.023 0.000 0.296 154 G C -1.378 173.428 174.900 -0.156 0.000 1.362 154 G CA -0.270 44.572 45.100 -0.431 0.000 0.809 154 G HN 0.340 nan 8.290 nan 0.000 0.522 155 T N -0.688 113.871 114.554 0.008 0.000 2.916 155 T HA 0.449 4.813 4.350 0.023 0.000 0.305 155 T C 0.378 175.145 174.700 0.112 0.000 1.119 155 T CA -0.610 61.553 62.100 0.104 0.000 1.008 155 T CB 1.353 70.302 68.868 0.135 0.000 1.129 155 T HN 0.344 nan 8.240 nan 0.000 0.480 156 L N 3.399 124.643 121.223 0.036 0.000 2.627 156 L HA 0.313 4.667 4.340 0.023 0.000 0.232 156 L C 2.020 178.901 176.870 0.019 0.000 1.150 156 L CA 0.510 55.278 54.840 -0.119 0.000 0.917 156 L CB -0.949 40.778 42.059 -0.552 0.000 1.104 156 L HN 1.132 nan 8.230 nan 0.000 0.445 157 G N 0.152 108.977 108.800 0.042 0.000 4.365 157 G HA2 -0.234 3.740 3.960 0.023 0.000 0.214 157 G HA3 -0.234 3.740 3.960 0.023 0.000 0.214 157 G C 0.406 175.125 174.900 -0.300 0.000 1.450 157 G CA -0.209 44.873 45.100 -0.029 0.000 0.937 157 G HN 0.643 nan 8.290 nan 0.000 0.625 158 G N -0.928 107.562 108.800 -0.517 0.000 2.645 158 G HA2 0.653 4.627 3.960 0.023 0.000 0.292 158 G HA3 0.653 4.627 3.960 0.023 0.000 0.292 158 G C -0.426 174.026 174.900 -0.747 0.000 1.415 158 G CA 0.779 45.200 45.100 -1.132 0.000 0.785 158 G HN 1.173 nan 8.290 nan 0.000 0.483 159 S N 0.178 115.578 115.700 -0.501 0.000 2.560 159 S HA 0.448 4.932 4.470 0.023 0.000 0.284 159 S C -0.588 174.008 174.600 -0.006 0.000 1.327 159 S CA 0.393 58.626 58.200 0.056 0.000 1.055 159 S CB 1.008 64.326 63.200 0.196 0.000 0.868 159 S HN 0.663 nan 8.310 nan 0.000 0.506 160 D N 0.189 120.598 120.400 0.016 0.000 2.369 160 D HA 0.283 4.937 4.640 0.023 0.000 0.212 160 D C 0.183 176.346 176.300 -0.229 0.000 1.326 160 D CA -0.488 53.347 54.000 -0.274 0.000 0.933 160 D CB 0.536 40.849 40.800 -0.811 0.000 1.516 160 D HN 0.400 nan 8.370 nan 0.000 0.557 161 A N 2.529 125.277 122.820 -0.118 0.000 2.234 161 A HA -0.085 4.249 4.320 0.023 0.000 0.216 161 A C 1.858 179.388 177.584 -0.090 0.000 1.167 161 A CA 1.552 53.559 52.037 -0.050 0.000 0.698 161 A CB -0.103 18.880 19.000 -0.028 0.000 0.779 161 A HN 0.375 nan 8.150 nan 0.000 0.475 162 S N -1.250 114.304 115.700 -0.244 0.000 2.562 162 S HA 0.205 4.690 4.470 0.023 0.000 0.221 162 S C 0.210 174.733 174.600 -0.128 0.000 0.975 162 S CA -0.249 57.817 58.200 -0.223 0.000 0.918 162 S CB -0.502 62.507 63.200 -0.318 0.000 0.772 162 S HN 0.289 nan 8.310 nan 0.000 0.531 163 F N 1.437 121.385 119.950 -0.003 0.000 2.375 163 F HA 0.584 5.125 4.527 0.023 0.000 0.317 163 F C 0.429 176.234 175.800 0.008 0.000 1.124 163 F CA -1.517 56.480 58.000 -0.005 0.000 1.050 163 F CB 0.852 39.850 39.000 -0.003 0.000 1.314 163 F HN -0.047 nan 8.300 nan 0.000 0.511 164 V N -1.545 118.512 119.914 0.237 0.000 3.078 164 V HA 0.876 5.011 4.120 0.023 0.000 0.311 164 V C -0.350 175.795 176.094 0.084 0.000 1.138 164 V CA -1.914 60.462 62.300 0.127 0.000 1.007 164 V CB 0.825 32.700 31.823 0.086 0.000 1.045 164 V HN 1.034 nan 8.190 nan 0.000 0.432 165 A N 1.371 124.237 122.820 0.077 0.000 2.603 165 A HA 0.559 4.893 4.320 0.023 0.000 0.235 165 A C 0.554 178.161 177.584 0.039 0.000 1.035 165 A CA 0.744 52.822 52.037 0.068 0.000 0.755 165 A CB -0.535 18.510 19.000 0.075 0.000 0.954 165 A HN 2.536 nan 8.150 nan 0.000 0.511 166 A N 2.278 125.120 122.820 0.037 0.000 2.381 166 A HA 0.639 4.973 4.320 0.023 0.000 0.299 166 A C -0.414 177.324 177.584 0.258 0.000 1.049 166 A CA 0.092 52.140 52.037 0.018 0.000 0.715 166 A CB 1.241 20.085 19.000 -0.260 0.000 1.222 166 A HN 2.276 nan 8.150 nan 0.000 0.428 167 V N 0.234 120.323 119.914 0.292 0.000 2.735 167 V HA 0.988 5.123 4.120 0.023 0.000 0.310 167 V C 0.234 176.579 176.094 0.418 0.000 1.061 167 V CA -0.075 62.420 62.300 0.325 0.000 0.913 167 V CB 1.416 33.330 31.823 0.151 0.000 1.005 167 V HN 1.402 nan 8.190 nan 0.000 0.428 168 G N 3.582 112.505 108.800 0.205 0.000 2.410 168 G HA2 0.805 4.779 3.960 0.023 0.000 0.330 168 G HA3 0.805 4.779 3.960 0.023 0.000 0.330 168 G C -0.669 174.269 174.900 0.065 0.000 1.142 168 G CA -0.671 44.517 45.100 0.146 0.000 0.902 168 G HN 1.507 nan 8.290 nan 0.000 0.491 169 I N -1.858 118.793 120.570 0.136 0.000 3.074 169 I HA 0.644 4.828 4.170 0.023 0.000 0.310 169 I C 0.099 176.298 176.117 0.138 0.000 1.153 169 I CA -1.022 60.344 61.300 0.110 0.000 0.993 169 I CB 1.956 40.027 38.000 0.120 0.000 1.237 169 I HN 0.486 nan 8.210 nan 0.000 0.443 170 T N 0.894 115.506 114.554 0.097 0.000 2.734 170 T HA 0.040 4.404 4.350 0.023 0.000 0.314 170 T C 1.006 175.804 174.700 0.163 0.000 1.057 170 T CA 0.369 62.530 62.100 0.102 0.000 1.047 170 T CB 0.703 69.607 68.868 0.060 0.000 0.991 170 T HN 0.864 nan 8.240 nan 0.000 0.540 171 K N 0.651 121.143 120.400 0.153 0.000 2.057 171 K HA -0.085 4.249 4.320 0.023 0.000 0.206 171 K C 2.369 179.051 176.600 0.136 0.000 1.050 171 K CA 1.315 57.724 56.287 0.205 0.000 0.935 171 K CB -0.100 32.485 32.500 0.142 0.000 0.715 171 K HN 0.644 nan 8.250 nan 0.000 0.439 172 Q N 0.555 120.398 119.800 0.071 0.000 1.993 172 Q HA -0.186 4.168 4.340 0.023 0.000 0.202 172 Q C 1.862 177.856 176.000 -0.011 0.000 0.984 172 Q CA 1.893 57.711 55.803 0.026 0.000 0.837 172 Q CB -0.093 28.656 28.738 0.019 0.000 0.902 172 Q HN 0.403 nan 8.270 nan 0.000 0.423 173 E N -0.291 119.907 120.200 -0.004 0.000 2.401 173 E HA -0.138 4.226 4.350 0.023 0.000 0.199 173 E C 1.737 178.278 176.600 -0.099 0.000 1.023 173 E CA 0.673 57.053 56.400 -0.033 0.000 0.859 173 E CB -0.055 29.643 29.700 -0.004 0.000 0.780 173 E HN 0.451 nan 8.360 nan 0.000 0.523 174 G N 0.937 109.660 108.800 -0.129 0.000 2.486 174 G HA2 -0.153 3.821 3.960 0.023 0.000 0.210 174 G HA3 -0.153 3.821 3.960 0.023 0.000 0.210 174 G C 1.179 175.601 174.900 -0.796 0.000 1.168 174 G CA 0.118 44.912 45.100 -0.509 0.000 0.820 174 G HN 0.082 nan 8.290 nan 0.000 0.544 175 D N 1.364 121.543 120.400 -0.368 0.000 2.218 175 D HA -0.051 4.603 4.640 0.023 0.000 0.204 175 D C 2.701 178.864 176.300 -0.228 0.000 0.976 175 D CA 1.032 54.895 54.000 -0.229 0.000 0.853 175 D CB -0.033 40.753 40.800 -0.023 0.000 0.939 175 D HN 0.307 nan 8.370 nan 0.000 0.481 176 A N 0.962 123.667 122.820 -0.193 0.000 1.855 176 A HA -0.104 4.230 4.320 0.023 0.000 0.215 176 A C 2.405 179.885 177.584 -0.174 0.000 1.191 176 A CA 0.745 52.696 52.037 -0.144 0.000 0.613 176 A CB -0.785 18.155 19.000 -0.100 0.000 0.829 176 A HN 0.155 nan 8.150 nan 0.000 0.442 177 L N -0.648 120.448 121.223 -0.212 0.000 2.017 177 L HA -0.217 4.138 4.340 0.023 0.000 0.208 177 L C 3.119 179.845 176.870 -0.241 0.000 1.073 177 L CA 1.133 55.860 54.840 -0.188 0.000 0.745 177 L CB -0.559 41.395 42.059 -0.174 0.000 0.894 177 L HN 0.451 nan 8.230 nan 0.000 0.432 178 A N -0.091 122.498 122.820 -0.386 0.000 1.940 178 A HA -0.208 4.126 4.320 0.023 0.000 0.219 178 A C 2.501 179.827 177.584 -0.429 0.000 1.176 178 A CA 1.883 53.586 52.037 -0.556 0.000 0.631 178 A CB -0.679 17.905 19.000 -0.693 0.000 0.814 178 A HN 0.436 nan 8.150 nan 0.000 0.446 179 A N 0.192 122.846 122.820 -0.277 0.000 1.873 179 A HA -0.165 4.169 4.320 0.023 0.000 0.215 179 A C 1.899 179.402 177.584 -0.135 0.000 1.186 179 A CA 1.837 53.766 52.037 -0.179 0.000 0.616 179 A CB -0.679 18.246 19.000 -0.125 0.000 0.823 179 A HN 0.531 nan 8.150 nan 0.000 0.442 180 N N 0.252 118.879 118.700 -0.121 0.000 2.104 180 N HA -0.113 4.641 4.740 0.023 0.000 0.190 180 N C 1.555 177.023 175.510 -0.070 0.000 1.024 180 N CA 1.433 54.435 53.050 -0.081 0.000 0.853 180 N CB -0.494 37.951 38.487 -0.071 0.000 1.008 180 N HN 0.501 nan 8.380 nan 0.000 0.424 181 L N 0.347 121.516 121.223 -0.091 0.000 2.056 181 L HA -0.057 4.297 4.340 0.023 0.000 0.207 181 L C 2.313 179.161 176.870 -0.036 0.000 1.078 181 L CA 0.973 55.784 54.840 -0.047 0.000 0.749 181 L CB -0.231 41.812 42.059 -0.028 0.000 0.901 181 L HN 0.153 nan 8.230 nan 0.000 0.433 182 R N 0.076 120.522 120.500 -0.089 0.000 2.120 182 R HA -0.098 4.256 4.340 0.023 0.000 0.234 182 R C 2.194 178.479 176.300 -0.024 0.000 1.123 182 R CA 1.240 57.311 56.100 -0.048 0.000 0.975 182 R CB -0.416 29.830 30.300 -0.090 0.000 0.866 182 R HN 0.318 nan 8.270 nan 0.000 0.446 183 A N 0.113 122.910 122.820 -0.037 0.000 2.209 183 A HA 0.107 4.441 4.320 0.023 0.000 0.212 183 A C 1.411 178.988 177.584 -0.012 0.000 1.158 183 A CA 1.101 53.124 52.037 -0.024 0.000 0.742 183 A CB -0.159 18.822 19.000 -0.030 0.000 0.790 183 A HN 0.497 nan 8.150 nan 0.000 0.472 184 G N -1.075 107.721 108.800 -0.006 0.000 2.148 184 G HA2 -0.209 3.765 3.960 0.023 0.000 0.203 184 G HA3 -0.209 3.765 3.960 0.023 0.000 0.203 184 G C -0.052 174.849 174.900 0.000 0.000 0.993 184 G CA 0.245 45.346 45.100 0.002 0.000 0.661 184 G HN 0.691 nan 8.290 nan 0.000 0.518 185 E N 0.503 120.699 120.200 -0.006 0.000 2.354 185 E HA 0.451 4.815 4.350 0.023 0.000 0.269 185 E C 0.149 176.750 176.600 0.001 0.000 1.036 185 E CA -0.536 55.860 56.400 -0.006 0.000 0.876 185 E CB 0.442 30.133 29.700 -0.015 0.000 1.009 185 E HN 0.238 nan 8.360 nan 0.000 0.416 186 K N 5.253 125.655 120.400 0.003 0.000 2.264 186 K HA 0.308 4.642 4.320 0.023 0.000 0.277 186 K C -0.906 175.698 176.600 0.007 0.000 1.067 186 K CA -0.345 55.947 56.287 0.009 0.000 0.900 186 K CB 0.452 32.957 32.500 0.009 0.000 1.124 186 K HN 0.449 nan 8.250 nan 0.000 0.469 187 I N 2.749 123.325 120.570 0.010 0.000 2.493 187 I HA 0.267 4.451 4.170 0.023 0.000 0.298 187 I C -0.127 175.998 176.117 0.014 0.000 0.998 187 I CA -0.843 60.462 61.300 0.008 0.000 1.137 187 I CB 2.361 40.362 38.000 0.002 0.000 1.310 187 I HN 0.529 nan 8.210 nan 0.000 0.445 188 T N 4.105 118.666 114.554 0.012 0.000 2.885 188 T HA 0.791 5.155 4.350 0.023 0.000 0.285 188 T C -0.492 174.218 174.700 0.017 0.000 1.019 188 T CA -0.515 61.595 62.100 0.016 0.000 1.010 188 T CB 1.892 70.768 68.868 0.013 0.000 1.022 188 T HN 0.720 nan 8.240 nan 0.000 0.466 189 A N 1.701 124.534 122.820 0.022 0.000 2.532 189 A HA 0.877 5.212 4.320 0.023 0.000 0.290 189 A C -0.663 176.936 177.584 0.026 0.000 1.143 189 A CA -0.785 51.267 52.037 0.024 0.000 0.728 189 A CB 1.727 20.746 19.000 0.031 0.000 1.317 189 A HN 0.658 nan 8.150 nan 0.000 0.414 190 T N 0.727 115.297 114.554 0.027 0.000 2.841 190 T HA 0.564 4.928 4.350 0.023 0.000 0.285 190 T C -1.264 173.456 174.700 0.033 0.000 0.991 190 T CA -0.267 61.849 62.100 0.027 0.000 0.966 190 T CB 1.312 70.193 68.868 0.022 0.000 0.962 190 T HN 0.651 nan 8.240 nan 0.000 0.438 191 V N 4.603 124.539 119.914 0.037 0.000 2.357 191 V HA 0.419 4.553 4.120 0.023 0.000 0.281 191 V C -0.307 175.812 176.094 0.042 0.000 1.015 191 V CA -0.799 61.528 62.300 0.044 0.000 0.827 191 V CB 1.164 33.018 31.823 0.052 0.000 1.018 191 V HN 0.707 nan 8.190 nan 0.000 0.432 192 K N 3.805 124.228 120.400 0.038 0.000 2.394 192 K HA 0.735 5.069 4.320 0.023 0.000 0.260 192 K C -1.209 175.414 176.600 0.038 0.000 0.967 192 K CA -0.571 55.737 56.287 0.035 0.000 0.855 192 K CB 2.470 34.986 32.500 0.026 0.000 1.101 192 K HN 0.408 nan 8.250 nan 0.000 0.433 193 V N 2.392 122.333 119.914 0.045 0.000 2.443 193 V HA 0.645 4.779 4.120 0.023 0.000 0.293 193 V C -0.673 175.447 176.094 0.043 0.000 1.021 193 V CA -0.738 61.592 62.300 0.051 0.000 0.848 193 V CB 1.439 33.307 31.823 0.075 0.000 0.998 193 V HN 0.897 nan 8.190 nan 0.000 0.424 194 A N 3.086 125.922 122.820 0.028 0.000 2.498 194 A HA 0.912 5.246 4.320 0.023 0.000 0.298 194 A C 0.847 178.430 177.584 -0.002 0.000 1.075 194 A CA 0.141 52.188 52.037 0.016 0.000 0.714 194 A CB 1.806 20.812 19.000 0.011 0.000 1.299 194 A HN 1.897 nan 8.150 nan 0.000 0.407 195 G N -0.220 108.572 108.800 -0.013 0.000 2.308 195 G HA2 0.177 4.151 3.960 0.023 0.000 0.221 195 G HA3 0.177 4.151 3.960 0.023 0.000 0.221 195 G C 0.924 175.778 174.900 -0.076 0.000 1.032 195 G CA 0.467 45.542 45.100 -0.042 0.000 0.623 195 G HN 2.416 nan 8.290 nan 0.000 0.506 196 A N 0.709 123.490 122.820 -0.065 0.000 2.587 196 A HA 0.475 4.809 4.320 0.023 0.000 0.235 196 A C 0.373 177.899 177.584 -0.095 0.000 1.044 196 A CA 1.540 53.501 52.037 -0.127 0.000 0.754 196 A CB -0.041 19.004 19.000 0.075 0.000 0.968 196 A HN 0.703 nan 8.150 nan 0.000 0.509 197 E N 0.105 120.177 120.200 -0.213 0.000 2.366 197 E HA 0.488 4.853 4.350 0.023 0.000 0.278 197 E C -1.198 175.379 176.600 -0.039 0.000 0.923 197 E CA -0.880 55.471 56.400 -0.082 0.000 0.761 197 E CB 2.238 31.883 29.700 -0.091 0.000 1.231 197 E HN 0.716 nan 8.360 nan 0.000 0.443 198 V N -0.417 119.550 119.914 0.087 0.000 2.513 198 V HA 0.768 4.902 4.120 0.023 0.000 0.299 198 V C -0.698 175.441 176.094 0.075 0.000 1.035 198 V CA -0.721 61.675 62.300 0.160 0.000 0.889 198 V CB 1.170 33.148 31.823 0.257 0.000 0.988 198 V HN 0.726 nan 8.190 nan 0.000 0.440 199 K N 1.586 122.015 120.400 0.049 0.000 2.502 199 K HA 0.624 4.958 4.320 0.023 0.000 0.257 199 K C -0.830 175.736 176.600 -0.056 0.000 0.938 199 K CA -0.611 55.670 56.287 -0.010 0.000 0.819 199 K CB 2.076 34.551 32.500 -0.041 0.000 1.333 199 K HN 0.511 nan 8.250 nan 0.000 0.434 200 T N 3.015 117.525 114.554 -0.073 0.000 2.761 200 T HA 0.314 4.678 4.350 0.023 0.000 0.296 200 T C -0.098 174.470 174.700 -0.219 0.000 0.934 200 T CA -0.391 61.632 62.100 -0.129 0.000 1.091 200 T CB -0.035 68.792 68.868 -0.067 0.000 0.896 200 T HN 0.322 nan 8.240 nan 0.000 0.515 201 L N 2.400 123.358 121.223 -0.441 0.000 2.303 201 L HA 0.646 5.000 4.340 0.023 0.000 0.266 201 L C 0.302 176.915 176.870 -0.429 0.000 1.011 201 L CA -1.011 53.538 54.840 -0.485 0.000 0.818 201 L CB 2.089 43.715 42.059 -0.721 0.000 1.326 201 L HN 0.467 nan 8.230 nan 0.000 0.435 202 T N 0.249 114.652 114.554 -0.251 0.000 2.809 202 T HA 0.428 4.792 4.350 0.023 0.000 0.284 202 T C -0.481 174.045 174.700 -0.291 0.000 0.992 202 T CA -0.340 61.611 62.100 -0.249 0.000 0.957 202 T CB 1.738 70.484 68.868 -0.202 0.000 0.942 202 T HN 0.576 nan 8.240 nan 0.000 0.439 203 S N 2.113 117.459 115.700 -0.590 0.000 2.798 203 S HA 0.813 5.297 4.470 0.023 0.000 0.312 203 S C -1.403 172.507 174.600 -1.151 0.000 1.122 203 S CA -0.572 57.265 58.200 -0.605 0.000 0.949 203 S CB 0.794 63.771 63.200 -0.372 0.000 1.235 203 S HN 0.785 nan 8.310 nan 0.000 0.552 204 H N -0.115 118.845 119.070 -0.184 0.000 3.008 204 H HA 0.550 5.119 4.556 0.023 0.000 0.354 204 H C -1.136 174.506 175.328 0.523 0.000 1.252 204 H CA -0.892 55.239 56.048 0.137 0.000 1.117 204 H CB 0.966 30.801 29.762 0.121 0.000 1.857 204 H HN 0.428 nan 8.280 nan 0.000 0.547 205 N N 0.442 119.528 118.700 0.643 0.000 2.284 205 N HA 0.418 5.172 4.740 0.023 0.000 0.300 205 N C -1.147 174.570 175.510 0.345 0.000 1.047 205 N CA -0.597 52.764 53.050 0.518 0.000 0.821 205 N CB 2.833 41.604 38.487 0.473 0.000 1.337 205 N HN 0.195 nan 8.380 nan 0.000 0.482 206 V N 2.885 122.952 119.914 0.254 0.000 2.370 206 V HA 0.502 4.636 4.120 0.023 0.000 0.283 206 V C -0.095 175.993 176.094 -0.009 0.000 1.023 206 V CA -0.613 61.780 62.300 0.156 0.000 0.857 206 V CB 0.935 32.900 31.823 0.237 0.000 0.985 206 V HN 0.473 nan 8.190 nan 0.000 0.443 207 I N 4.318 124.838 120.570 -0.082 0.000 2.418 207 I HA 0.729 4.913 4.170 0.023 0.000 0.287 207 I C 0.190 176.124 176.117 -0.306 0.000 1.008 207 I CA -0.282 60.890 61.300 -0.213 0.000 1.104 207 I CB 1.903 39.846 38.000 -0.095 0.000 1.264 207 I HN 0.642 nan 8.210 nan 0.000 0.438 208 A N 4.323 126.799 122.820 -0.573 0.000 2.304 208 A HA 0.854 5.188 4.320 0.023 0.000 0.314 208 A C -0.369 177.069 177.584 -0.244 0.000 1.187 208 A CA -0.436 51.229 52.037 -0.619 0.000 0.810 208 A CB 0.773 18.780 19.000 -1.654 0.000 1.183 208 A HN 0.590 nan 8.150 nan 0.000 0.487 209 T N 2.111 116.708 114.554 0.071 0.000 2.829 209 T HA 0.454 4.818 4.350 0.023 0.000 0.280 209 T C -0.355 174.570 174.700 0.376 0.000 0.999 209 T CA -0.526 61.687 62.100 0.189 0.000 0.983 209 T CB 1.332 70.284 68.868 0.139 0.000 0.968 209 T HN 0.599 nan 8.240 nan 0.000 0.446 210 K N 3.138 123.770 120.400 0.386 0.000 2.389 210 K HA 0.294 4.628 4.320 0.023 0.000 0.261 210 K C -0.304 176.396 176.600 0.167 0.000 1.014 210 K CA -0.834 55.646 56.287 0.320 0.000 0.920 210 K CB 0.432 33.202 32.500 0.449 0.000 1.149 210 K HN 0.258 nan 8.250 nan 0.000 0.444 211 K N 4.148 124.611 120.400 0.105 0.000 2.295 211 K HA 0.219 4.553 4.320 0.023 0.000 0.270 211 K C -2.310 174.323 176.600 0.055 0.000 1.011 211 K CA -1.915 54.412 56.287 0.067 0.000 0.953 211 K CB 0.559 33.085 32.500 0.043 0.000 0.956 211 K HN 0.564 nan 8.250 nan 0.000 0.477 212 P HA 0.000 nan 4.420 nan 0.000 0.265 212 P C -0.307 177.009 177.300 0.027 0.000 1.193 212 P CA 0.146 63.268 63.100 0.037 0.000 0.765 212 P CB 0.483 32.199 31.700 0.027 0.000 0.823 213 D N 0.428 120.844 120.400 0.027 0.000 2.582 213 D HA 0.237 4.891 4.640 0.023 0.000 0.246 213 D C 0.502 176.812 176.300 0.016 0.000 1.334 213 D CA -0.485 53.525 54.000 0.017 0.000 0.805 213 D CB -0.167 40.641 40.800 0.014 0.000 1.087 213 D HN 0.285 nan 8.370 nan 0.000 0.499 214 A N 0.542 123.372 122.820 0.016 0.000 2.292 214 A HA 0.333 4.667 4.320 0.023 0.000 0.265 214 A C 0.989 178.578 177.584 0.007 0.000 1.133 214 A CA -0.077 51.967 52.037 0.012 0.000 0.807 214 A CB 0.250 19.254 19.000 0.007 0.000 1.102 214 A HN 0.189 nan 8.150 nan 0.000 0.502 215 N N -0.687 118.016 118.700 0.005 0.000 2.075 215 N HA -0.028 4.726 4.740 0.023 0.000 0.192 215 N C 0.857 176.368 175.510 0.002 0.000 1.081 215 N CA 1.604 54.655 53.050 0.003 0.000 0.985 215 N CB -0.133 38.355 38.487 0.002 0.000 1.154 215 N HN 0.544 nan 8.380 nan 0.000 0.484 216 K N -0.405 119.996 120.400 0.001 0.000 2.387 216 K HA 0.161 4.495 4.320 0.023 0.000 0.198 216 K C 0.677 177.276 176.600 -0.001 0.000 1.022 216 K CA 0.078 56.365 56.287 0.000 0.000 1.128 216 K CB 0.375 32.875 32.500 -0.000 0.000 0.853 216 K HN 0.283 nan 8.250 nan 0.000 0.523 217 K N 0.620 121.019 120.400 -0.002 0.000 2.444 217 K HA 0.066 4.400 4.320 0.023 0.000 0.193 217 K C 0.062 176.659 176.600 -0.005 0.000 1.024 217 K CA -0.098 56.186 56.287 -0.006 0.000 1.077 217 K CB 0.089 32.583 32.500 -0.010 0.000 0.833 217 K HN 0.057 nan 8.250 nan 0.000 0.517 218 N N 2.612 121.312 118.700 -0.000 0.000 2.412 218 N HA -0.042 4.712 4.740 0.023 0.000 0.254 218 N C 0.214 175.726 175.510 0.003 0.000 1.232 218 N CA 0.558 53.609 53.050 0.003 0.000 0.880 218 N CB 0.816 39.307 38.487 0.007 0.000 1.076 218 N HN 0.201 nan 8.380 nan 0.000 0.458 219 T N -1.511 113.045 114.554 0.003 0.000 2.922 219 T HA 0.411 4.775 4.350 0.023 0.000 0.281 219 T C 0.732 175.437 174.700 0.009 0.000 1.005 219 T CA -0.807 61.296 62.100 0.004 0.000 0.982 219 T CB 0.824 69.693 68.868 0.002 0.000 1.158 219 T HN 0.483 nan 8.240 nan 0.000 0.566 220 N N -0.873 117.833 118.700 0.011 0.000 2.238 220 N HA 0.187 4.941 4.740 0.023 0.000 0.222 220 N C -0.910 174.611 175.510 0.018 0.000 1.133 220 N CA -0.503 52.556 53.050 0.015 0.000 0.854 220 N CB -0.093 38.403 38.487 0.014 0.000 1.041 220 N HN 0.443 nan 8.380 nan 0.000 0.510 221 D N 0.771 121.181 120.400 0.017 0.000 2.362 221 D HA 0.294 4.948 4.640 0.023 0.000 0.242 221 D C 0.120 176.433 176.300 0.022 0.000 1.132 221 D CA 0.189 54.200 54.000 0.020 0.000 0.907 221 D CB 1.387 42.197 40.800 0.017 0.000 1.195 221 D HN 0.167 nan 8.370 nan 0.000 0.429 222 I N 1.321 121.907 120.570 0.026 0.000 2.582 222 I HA 0.399 4.583 4.170 0.023 0.000 0.292 222 I C -0.424 175.704 176.117 0.018 0.000 1.066 222 I CA -0.692 60.621 61.300 0.022 0.000 1.053 222 I CB 2.017 40.040 38.000 0.037 0.000 1.241 222 I HN 0.049 nan 8.210 nan 0.000 0.421 223 I N 5.903 126.464 120.570 -0.015 0.000 2.533 223 I HA 0.441 4.625 4.170 0.023 0.000 0.290 223 I C -0.855 175.201 176.117 -0.102 0.000 1.056 223 I CA -0.759 60.534 61.300 -0.012 0.000 1.057 223 I CB 2.383 40.376 38.000 -0.011 0.000 1.240 223 I HN 0.261 nan 8.210 nan 0.000 0.423 224 I N 6.669 127.194 120.570 -0.075 0.000 2.377 224 I HA 0.427 4.611 4.170 0.023 0.000 0.293 224 I C -0.461 175.588 176.117 -0.113 0.000 0.987 224 I CA -0.580 60.617 61.300 -0.170 0.000 1.185 224 I CB 1.717 39.563 38.000 -0.258 0.000 1.341 224 I HN 0.334 nan 8.210 nan 0.000 0.455 225 I N 5.218 125.653 120.570 -0.225 0.000 2.410 225 I HA 0.641 4.826 4.170 0.023 0.000 0.286 225 I C 0.474 176.575 176.117 -0.026 0.000 1.009 225 I CA 0.054 61.295 61.300 -0.098 0.000 1.111 225 I CB 1.845 39.718 38.000 -0.212 0.000 1.262 225 I HN 0.640 nan 8.210 nan 0.000 0.443 226 G N 3.170 112.029 108.800 0.099 0.000 2.730 226 G HA2 0.910 4.884 3.960 0.023 0.000 0.289 226 G HA3 0.910 4.884 3.960 0.023 0.000 0.289 226 G C -1.243 173.789 174.900 0.219 0.000 1.341 226 G CA -0.555 44.612 45.100 0.112 0.000 0.932 226 G HN 0.669 nan 8.290 nan 0.000 0.481 227 S N -1.516 114.306 115.700 0.202 0.000 2.615 227 S HA 0.623 5.107 4.470 0.023 0.000 0.268 227 S C -1.231 173.546 174.600 0.295 0.000 1.146 227 S CA -0.938 57.410 58.200 0.247 0.000 0.818 227 S CB 1.382 64.661 63.200 0.132 0.000 1.111 227 S HN 1.512 nan 8.310 nan 0.000 0.465 228 H N -1.093 118.113 119.070 0.228 0.000 2.524 228 H HA 0.762 5.331 4.556 0.023 0.000 0.353 228 H C 0.290 175.688 175.328 0.118 0.000 1.136 228 H CA -0.675 55.460 56.048 0.146 0.000 1.193 228 H CB 0.683 30.558 29.762 0.188 0.000 1.558 228 H HN 0.876 nan 8.280 nan 0.000 0.515 229 H N 0.206 119.437 119.070 0.269 0.000 2.551 229 H HA 0.151 4.721 4.556 0.024 0.000 0.271 229 H C -0.443 175.008 175.328 0.206 0.000 0.984 229 H CA -0.310 55.840 56.048 0.170 0.000 1.164 229 H CB -0.129 29.731 29.762 0.163 0.000 1.437 229 H HN 0.714 nan 8.280 nan 0.000 0.550 230 D N 0.898 121.574 120.400 0.461 0.000 2.332 230 D HA 0.375 5.029 4.640 0.023 0.000 0.252 230 D C 0.038 176.551 176.300 0.355 0.000 1.050 230 D CA -0.528 53.702 54.000 0.383 0.000 0.970 230 D CB 2.046 43.037 40.800 0.319 0.000 1.141 230 D HN 0.338 nan 8.370 nan 0.000 0.485 231 S N -1.151 114.684 115.700 0.224 0.000 2.661 231 S HA 0.581 5.065 4.470 0.023 0.000 0.285 231 S C -0.014 174.626 174.600 0.066 0.000 1.138 231 S CA -0.716 57.591 58.200 0.177 0.000 0.855 231 S CB 0.918 64.196 63.200 0.130 0.000 1.136 231 S HN 0.730 nan 8.310 nan 0.000 0.484 232 V N -1.007 118.882 119.914 -0.040 0.000 3.133 232 V HA 0.604 4.738 4.120 0.023 0.000 0.305 232 V C 0.381 176.433 176.094 -0.071 0.000 1.084 232 V CA -0.633 61.584 62.300 -0.138 0.000 1.089 232 V CB 0.155 31.727 31.823 -0.417 0.000 1.073 232 V HN 1.053 nan 8.190 nan 0.000 0.477 233 E N 1.696 121.858 120.200 -0.064 0.000 2.502 233 E HA 0.083 4.447 4.350 0.023 0.000 0.261 233 E C 0.648 177.223 176.600 -0.042 0.000 0.974 233 E CA 1.134 57.511 56.400 -0.039 0.000 0.936 233 E CB 0.004 29.681 29.700 -0.038 0.000 0.926 233 E HN 0.783 nan 8.360 nan 0.000 0.459 234 K N 0.271 120.654 120.400 -0.028 0.000 3.529 234 K HA -0.260 4.074 4.320 0.023 0.000 0.313 234 K C -0.618 175.973 176.600 -0.015 0.000 1.316 234 K CA 0.987 57.260 56.287 -0.024 0.000 0.988 234 K CB -1.631 30.855 32.500 -0.024 0.000 1.252 234 K HN 0.479 nan 8.250 nan 0.000 0.438 235 A N 0.628 123.442 122.820 -0.011 0.000 2.249 235 A HA 0.482 4.816 4.320 0.023 0.000 0.314 235 A C -1.891 175.702 177.584 0.016 0.000 1.290 235 A CA -1.477 50.569 52.037 0.014 0.000 0.893 235 A CB 0.699 19.718 19.000 0.031 0.000 1.165 235 A HN -0.142 nan 8.150 nan 0.000 0.530 236 P HA -0.047 nan 4.420 nan 0.000 0.223 236 P C 1.041 178.346 177.300 0.009 0.000 1.144 236 P CA 1.756 64.848 63.100 -0.014 0.000 0.783 236 P CB 0.196 31.875 31.700 -0.035 0.000 0.771 237 G N -0.810 108.023 108.800 0.055 0.000 2.323 237 G HA2 -0.263 3.711 3.960 0.023 0.000 0.292 237 G HA3 -0.263 3.711 3.960 0.023 0.000 0.292 237 G C 1.061 175.999 174.900 0.065 0.000 1.040 237 G CA 0.248 45.402 45.100 0.091 0.000 0.942 237 G HN 0.466 nan 8.290 nan 0.000 0.506 238 A N -0.059 122.791 122.820 0.050 0.000 1.877 238 A HA -0.047 4.287 4.320 0.023 0.000 0.216 238 A C 2.159 179.782 177.584 0.064 0.000 1.186 238 A CA 2.300 54.352 52.037 0.025 0.000 0.620 238 A CB -0.258 18.744 19.000 0.005 0.000 0.822 238 A HN 0.702 nan 8.150 nan 0.000 0.443 239 N N -0.896 117.874 118.700 0.117 0.000 2.402 239 N HA -0.018 4.736 4.740 0.023 0.000 0.174 239 N C -0.541 175.061 175.510 0.155 0.000 1.027 239 N CA 0.774 53.910 53.050 0.144 0.000 0.891 239 N CB 0.163 38.761 38.487 0.185 0.000 1.016 239 N HN 0.268 nan 8.380 nan 0.000 0.439 240 D N -0.110 120.405 120.400 0.192 0.000 2.462 240 D HA 0.190 4.844 4.640 0.023 0.000 0.249 240 D C -1.379 175.023 176.300 0.170 0.000 1.117 240 D CA -0.277 53.865 54.000 0.236 0.000 0.900 240 D CB 0.254 41.307 40.800 0.422 0.000 1.039 240 D HN 0.025 nan 8.370 nan 0.000 0.516 241 D N 1.969 122.344 120.400 -0.042 0.000 2.908 241 D HA 0.277 4.931 4.640 0.023 0.000 0.361 241 D C 1.134 177.389 176.300 -0.075 0.000 1.416 241 D CA -0.223 53.688 54.000 -0.147 0.000 0.796 241 D CB 0.340 40.773 40.800 -0.611 0.000 1.185 241 D HN 0.255 nan 8.370 nan 0.000 0.451 242 A N -0.254 122.567 122.820 0.002 0.000 1.972 242 A HA -0.137 4.197 4.320 0.023 0.000 0.219 242 A C 2.240 179.845 177.584 0.035 0.000 1.169 242 A CA 1.898 53.949 52.037 0.022 0.000 0.635 242 A CB -0.526 18.481 19.000 0.011 0.000 0.810 242 A HN 0.420 nan 8.150 nan 0.000 0.446 243 S N -0.192 115.538 115.700 0.049 0.000 2.359 243 S HA -0.063 4.422 4.470 0.023 0.000 0.224 243 S C 2.076 176.718 174.600 0.071 0.000 1.035 243 S CA 1.520 59.764 58.200 0.073 0.000 1.018 243 S CB -1.352 61.913 63.200 0.107 0.000 0.876 243 S HN 0.687 nan 8.310 nan 0.000 0.448 244 G N 1.244 110.082 108.800 0.063 0.000 2.418 244 G HA2 -0.108 3.866 3.960 0.023 0.000 0.217 244 G HA3 -0.108 3.866 3.960 0.023 0.000 0.217 244 G C 1.470 176.412 174.900 0.069 0.000 1.158 244 G CA 0.969 46.114 45.100 0.074 0.000 0.771 244 G HN 0.485 nan 8.290 nan 0.000 0.545 245 V N 1.524 121.470 119.914 0.054 0.000 2.343 245 V HA -0.137 3.997 4.120 0.023 0.000 0.247 245 V C 3.318 179.437 176.094 0.042 0.000 1.051 245 V CA 1.990 64.328 62.300 0.064 0.000 1.036 245 V CB -0.801 31.072 31.823 0.083 0.000 0.654 245 V HN 0.481 nan 8.190 nan 0.000 0.451 246 A N -0.206 122.642 122.820 0.048 0.000 1.902 246 A HA -0.158 4.176 4.320 0.023 0.000 0.217 246 A C 2.359 179.959 177.584 0.025 0.000 1.181 246 A CA 2.124 54.187 52.037 0.042 0.000 0.623 246 A CB -0.640 18.393 19.000 0.055 0.000 0.818 246 A HN 0.356 nan 8.150 nan 0.000 0.443 247 V N -0.446 119.491 119.914 0.038 0.000 2.453 247 V HA -0.181 3.953 4.120 0.023 0.000 0.247 247 V C 2.676 178.787 176.094 0.029 0.000 1.048 247 V CA 2.292 64.607 62.300 0.026 0.000 1.049 247 V CB -1.206 30.638 31.823 0.035 0.000 0.672 247 V HN 0.588 nan 8.190 nan 0.000 0.457 248 T N 0.526 115.120 114.554 0.066 0.000 2.708 248 T HA -0.120 4.244 4.350 0.023 0.000 0.266 248 T C 1.901 176.637 174.700 0.060 0.000 1.037 248 T CA 1.526 63.712 62.100 0.143 0.000 1.146 248 T CB -0.259 68.722 68.868 0.187 0.000 0.865 248 T HN 0.281 nan 8.240 nan 0.000 0.435 249 L N 0.568 121.759 121.223 -0.052 0.000 2.027 249 L HA -0.085 4.269 4.340 0.023 0.000 0.206 249 L C 2.823 179.603 176.870 -0.149 0.000 1.074 249 L CA 1.354 56.106 54.840 -0.147 0.000 0.745 249 L CB -0.447 41.507 42.059 -0.175 0.000 0.898 249 L HN 0.219 nan 8.230 nan 0.000 0.433 250 E N 0.668 120.786 120.200 -0.136 0.000 2.110 250 E HA -0.194 4.170 4.350 0.023 0.000 0.193 250 E C 2.161 178.613 176.600 -0.246 0.000 0.988 250 E CA 1.317 57.593 56.400 -0.207 0.000 0.804 250 E CB -0.240 29.396 29.700 -0.107 0.000 0.745 250 E HN 0.371 nan 8.360 nan 0.000 0.458 251 L N -0.302 120.820 121.223 -0.169 0.000 2.141 251 L HA -0.076 4.278 4.340 0.023 0.000 0.209 251 L C 2.441 179.105 176.870 -0.344 0.000 1.094 251 L CA 0.928 55.688 54.840 -0.134 0.000 0.763 251 L CB -0.555 41.536 42.059 0.053 0.000 0.908 251 L HN 0.220 nan 8.230 nan 0.000 0.437 252 A N 0.077 122.449 122.820 -0.746 0.000 1.898 252 A HA -0.230 4.105 4.320 0.023 0.000 0.216 252 A C 2.447 179.807 177.584 -0.372 0.000 1.181 252 A CA 1.538 52.843 52.037 -1.220 0.000 0.620 252 A CB -0.513 17.829 19.000 -1.097 0.000 0.819 252 A HN 0.313 nan 8.150 nan 0.000 0.442 253 R N -0.350 119.808 120.500 -0.571 0.000 2.073 253 R HA -0.096 4.258 4.340 0.023 0.000 0.234 253 R C 1.976 178.070 176.300 -0.342 0.000 1.134 253 R CA 1.771 57.431 56.100 -0.735 0.000 0.952 253 R CB -0.426 29.138 30.300 -1.227 0.000 0.850 253 R HN 0.305 nan 8.270 nan 0.000 0.433 254 V N 1.202 120.945 119.914 -0.285 0.000 2.287 254 V HA -0.295 3.839 4.120 0.023 0.000 0.248 254 V C 2.456 178.472 176.094 -0.130 0.000 1.053 254 V CA 1.660 63.846 62.300 -0.190 0.000 1.027 254 V CB -0.336 31.385 31.823 -0.170 0.000 0.646 254 V HN 0.381 nan 8.190 nan 0.000 0.447 255 M N 0.657 120.217 119.600 -0.066 0.000 2.296 255 M HA -0.084 4.410 4.480 0.023 0.000 0.265 255 M C 2.417 178.742 176.300 0.041 0.000 1.064 255 M CA 1.905 57.231 55.300 0.043 0.000 1.109 255 M CB -1.510 31.235 32.600 0.241 0.000 1.396 255 M HN 0.650 nan 8.290 nan 0.000 0.430 256 S N -0.216 115.483 115.700 -0.002 0.000 2.507 256 S HA -0.056 4.428 4.470 0.023 0.000 0.235 256 S C 1.483 176.042 174.600 -0.068 0.000 0.988 256 S CA 0.619 58.773 58.200 -0.076 0.000 0.944 256 S CB -0.172 62.950 63.200 -0.130 0.000 0.762 256 S HN 0.334 nan 8.310 nan 0.000 0.526 257 K N 0.694 121.056 120.400 -0.064 0.000 2.374 257 K HA 0.424 4.758 4.320 0.023 0.000 0.196 257 K C 0.078 176.654 176.600 -0.039 0.000 1.023 257 K CA 0.077 56.328 56.287 -0.059 0.000 1.103 257 K CB 0.041 32.494 32.500 -0.079 0.000 0.848 257 K HN 0.449 nan 8.250 nan 0.000 0.528 258 L N 0.921 122.134 121.223 -0.017 0.000 2.333 258 L HA 0.384 4.738 4.340 0.023 0.000 0.263 258 L C -0.027 176.889 176.870 0.077 0.000 1.014 258 L CA -1.229 53.629 54.840 0.030 0.000 0.820 258 L CB 1.521 43.588 42.059 0.012 0.000 1.352 258 L HN -0.291 nan 8.230 nan 0.000 0.421 259 K N 1.516 121.976 120.400 0.100 0.000 2.218 259 K HA 0.504 4.838 4.320 0.023 0.000 0.276 259 K C -0.256 176.415 176.600 0.119 0.000 1.022 259 K CA -0.227 56.111 56.287 0.084 0.000 0.946 259 K CB 1.418 33.955 32.500 0.060 0.000 1.000 259 K HN 0.791 nan 8.250 nan 0.000 0.468 260 T N -1.955 112.651 114.554 0.086 0.000 2.909 260 T HA 0.299 4.663 4.350 0.023 0.000 0.299 260 T C -0.009 174.713 174.700 0.038 0.000 1.073 260 T CA -0.865 61.281 62.100 0.077 0.000 0.999 260 T CB 1.520 70.454 68.868 0.111 0.000 1.098 260 T HN 0.496 nan 8.240 nan 0.000 0.477 261 D N -0.262 120.146 120.400 0.013 0.000 2.440 261 D HA 0.196 4.850 4.640 0.023 0.000 0.216 261 D C -0.152 176.152 176.300 0.007 0.000 1.150 261 D CA -0.242 53.761 54.000 0.004 0.000 0.832 261 D CB 0.311 41.103 40.800 -0.013 0.000 0.992 261 D HN 0.513 nan 8.370 nan 0.000 0.502 262 T N 0.381 114.944 114.554 0.015 0.000 2.879 262 T HA 0.214 4.578 4.350 0.023 0.000 0.290 262 T C -0.743 173.972 174.700 0.026 0.000 0.993 262 T CA -0.720 61.389 62.100 0.014 0.000 0.975 262 T CB 2.489 71.359 68.868 0.003 0.000 0.981 262 T HN 0.085 nan 8.240 nan 0.000 0.439 263 E N 3.431 123.646 120.200 0.025 0.000 2.415 263 E HA 0.196 4.560 4.350 0.023 0.000 0.263 263 E C -0.934 175.665 176.600 -0.001 0.000 0.995 263 E CA -0.032 56.387 56.400 0.032 0.000 0.915 263 E CB 0.403 30.125 29.700 0.036 0.000 0.951 263 E HN 0.463 nan 8.360 nan 0.000 0.449 264 L N 5.594 126.817 121.223 0.000 0.000 2.333 264 L HA 0.499 4.853 4.340 0.023 0.000 0.280 264 L C -0.098 176.649 176.870 -0.205 0.000 1.004 264 L CA -0.732 54.013 54.840 -0.158 0.000 0.820 264 L CB 1.686 43.657 42.059 -0.146 0.000 1.247 264 L HN 0.491 nan 8.230 nan 0.000 0.416 265 R N 3.421 123.712 120.500 -0.348 0.000 2.337 265 R HA 0.465 4.819 4.340 0.023 0.000 0.319 265 R C -1.421 174.593 176.300 -0.477 0.000 0.954 265 R CA -0.505 55.429 56.100 -0.276 0.000 0.840 265 R CB 1.399 31.627 30.300 -0.119 0.000 1.164 265 R HN 0.312 nan 8.270 nan 0.000 0.472 266 F N 4.201 123.976 119.950 -0.291 0.000 2.405 266 F HA 0.456 4.997 4.527 0.025 0.000 0.355 266 F C 0.469 176.048 175.800 -0.369 0.000 1.121 266 F CA -0.472 57.358 58.000 -0.283 0.000 1.112 266 F CB 0.861 39.684 39.000 -0.296 0.000 1.126 266 F HN 0.210 nan 8.300 nan 0.000 0.481 267 I N 2.289 122.753 120.570 -0.178 0.000 2.582 267 I HA 0.400 4.584 4.170 0.023 0.000 0.292 267 I C -0.606 175.265 176.117 -0.410 0.000 1.066 267 I CA -0.848 60.215 61.300 -0.394 0.000 1.053 267 I CB 2.673 40.203 38.000 -0.783 0.000 1.241 267 I HN 0.507 nan 8.210 nan 0.000 0.421 268 T N 1.756 116.163 114.554 -0.245 0.000 2.786 268 T HA 0.635 4.999 4.350 0.023 0.000 0.283 268 T C -0.717 173.847 174.700 -0.227 0.000 0.992 268 T CA -0.520 61.517 62.100 -0.105 0.000 0.954 268 T CB 0.536 69.589 68.868 0.308 0.000 0.934 268 T HN 0.138 nan 8.240 nan 0.000 0.440 269 F N 1.811 121.751 119.950 -0.017 0.000 2.379 269 F HA 0.678 5.218 4.527 0.022 0.000 0.332 269 F C 1.230 176.798 175.800 -0.387 0.000 1.096 269 F CA -0.470 57.500 58.000 -0.050 0.000 1.105 269 F CB 1.090 40.134 39.000 0.073 0.000 1.189 269 F HN 0.922 nan 8.300 nan 0.000 0.515 270 G N 0.122 109.036 108.800 0.190 0.000 2.488 270 G HA2 0.490 4.465 3.960 0.023 0.000 0.318 270 G HA3 0.490 4.465 3.960 0.023 0.000 0.318 270 G C -0.019 175.087 174.900 0.342 0.000 1.188 270 G CA -0.518 44.749 45.100 0.278 0.000 0.944 270 G HN 1.273 nan 8.290 nan 0.000 0.495 271 A N -0.548 122.408 122.820 0.227 0.000 2.704 271 A HA -0.176 4.158 4.320 0.023 0.000 0.299 271 A C 1.589 179.130 177.584 -0.072 0.000 1.507 271 A CA 1.500 53.534 52.037 -0.004 0.000 0.776 271 A CB -1.408 17.441 19.000 -0.252 0.000 1.027 271 A HN 0.804 nan 8.150 nan 0.000 0.475 272 E N 0.110 120.275 120.200 -0.059 0.000 2.107 272 E HA -0.176 4.188 4.350 0.023 0.000 0.191 272 E C 1.545 178.031 176.600 -0.190 0.000 0.982 272 E CA 1.380 57.670 56.400 -0.184 0.000 0.809 272 E CB -0.070 29.386 29.700 -0.406 0.000 0.756 272 E HN 0.785 nan 8.360 nan 0.000 0.459 273 E N 0.687 120.795 120.200 -0.154 0.000 2.268 273 E HA -0.094 4.270 4.350 0.023 0.000 0.195 273 E C 1.336 177.919 176.600 -0.027 0.000 0.995 273 E CA 0.397 56.755 56.400 -0.070 0.000 0.836 273 E CB -0.253 29.422 29.700 -0.042 0.000 0.763 273 E HN 0.370 nan 8.360 nan 0.000 0.491 274 N N 0.106 118.774 118.700 -0.052 0.000 2.398 274 N HA 0.015 4.769 4.740 0.023 0.000 0.188 274 N C 0.720 176.219 175.510 -0.020 0.000 1.122 274 N CA 0.790 53.831 53.050 -0.014 0.000 0.866 274 N CB 1.038 39.447 38.487 -0.130 0.000 0.970 274 N HN 0.198 nan 8.380 nan 0.000 0.462 275 G N 0.929 109.697 108.800 -0.053 0.000 2.188 275 G HA2 -0.140 3.834 3.960 0.023 0.000 0.112 275 G HA3 -0.140 3.834 3.960 0.023 0.000 0.112 275 G C 0.291 175.123 174.900 -0.113 0.000 1.048 275 G CA -0.493 44.571 45.100 -0.059 0.000 0.720 275 G HN 0.239 nan 8.290 nan 0.000 0.487 276 L N -1.149 119.990 121.223 -0.139 0.000 3.843 276 L HA -0.266 4.088 4.340 0.023 0.000 0.411 276 L C 2.014 178.735 176.870 -0.248 0.000 1.205 276 L CA 0.554 55.280 54.840 -0.190 0.000 0.945 276 L CB -1.978 39.969 42.059 -0.187 0.000 1.929 276 L HN 0.360 nan 8.230 nan 0.000 0.934 277 I N 0.381 120.802 120.570 -0.248 0.000 2.179 277 I HA -0.155 4.029 4.170 0.023 0.000 0.242 277 I C 2.658 178.418 176.117 -0.595 0.000 1.088 277 I CA 2.213 63.310 61.300 -0.339 0.000 1.357 277 I CB -1.428 36.399 38.000 -0.289 0.000 1.051 277 I HN 0.513 nan 8.210 nan 0.000 0.409 278 G N 1.267 109.755 108.800 -0.520 0.000 2.459 278 G HA2 -0.272 3.702 3.960 0.023 0.000 0.217 278 G HA3 -0.272 3.702 3.960 0.023 0.000 0.217 278 G C 1.798 176.529 174.900 -0.283 0.000 1.183 278 G CA 1.534 46.316 45.100 -0.530 0.000 0.776 278 G HN 0.536 nan 8.290 nan 0.000 0.552 279 S N 0.457 115.902 115.700 -0.426 0.000 2.402 279 S HA -0.011 4.473 4.470 0.023 0.000 0.229 279 S C 2.073 176.380 174.600 -0.487 0.000 1.021 279 S CA 1.468 59.228 58.200 -0.734 0.000 0.974 279 S CB -0.188 62.303 63.200 -1.181 0.000 0.800 279 S HN 0.446 nan 8.310 nan 0.000 0.484 280 K N 1.083 121.231 120.400 -0.419 0.000 2.097 280 K HA 0.046 4.380 4.320 0.023 0.000 0.205 280 K C 2.251 178.685 176.600 -0.277 0.000 1.050 280 K CA 1.035 57.114 56.287 -0.346 0.000 0.938 280 K CB -0.046 32.284 32.500 -0.284 0.000 0.718 280 K HN 0.204 nan 8.250 nan 0.000 0.442 281 K N 0.116 120.337 120.400 -0.298 0.000 2.057 281 K HA -0.151 4.183 4.320 0.023 0.000 0.206 281 K C 2.086 178.653 176.600 -0.055 0.000 1.050 281 K CA 1.246 57.410 56.287 -0.206 0.000 0.935 281 K CB -0.393 31.891 32.500 -0.360 0.000 0.715 281 K HN 0.216 nan 8.250 nan 0.000 0.439 282 Y N 1.624 121.890 120.300 -0.057 0.000 2.200 282 Y HA -0.141 4.423 4.550 0.022 0.000 0.290 282 Y C 2.206 178.137 175.900 0.053 0.000 1.137 282 Y CA 1.372 59.538 58.100 0.111 0.000 1.163 282 Y CB -0.398 38.283 38.460 0.369 0.000 0.988 282 Y HN 0.057 nan 8.280 nan 0.000 0.518 283 A N 0.551 123.266 122.820 -0.174 0.000 1.940 283 A HA -0.145 4.189 4.320 0.023 0.000 0.219 283 A C 2.338 179.781 177.584 -0.234 0.000 1.176 283 A CA 1.848 53.709 52.037 -0.292 0.000 0.631 283 A CB -1.456 17.228 19.000 -0.527 0.000 0.814 283 A HN 0.586 nan 8.150 nan 0.000 0.446 284 A N 0.061 122.761 122.820 -0.201 0.000 2.172 284 A HA 0.048 4.382 4.320 0.023 0.000 0.216 284 A C 2.265 179.771 177.584 -0.130 0.000 1.154 284 A CA 1.770 53.721 52.037 -0.144 0.000 0.701 284 A CB -0.674 18.257 19.000 -0.115 0.000 0.789 284 A HN 0.971 nan 8.150 nan 0.000 0.465 285 S N -0.718 114.869 115.700 -0.188 0.000 2.528 285 S HA 0.250 4.734 4.470 0.023 0.000 0.219 285 S C 0.564 175.066 174.600 -0.164 0.000 0.985 285 S CA -0.334 57.768 58.200 -0.163 0.000 0.914 285 S CB -0.544 62.543 63.200 -0.188 0.000 0.776 285 S HN 0.371 nan 8.310 nan 0.000 0.526 286 L N 3.239 124.346 121.223 -0.193 0.000 2.397 286 L HA 0.360 4.714 4.340 0.023 0.000 0.271 286 L C 0.903 177.739 176.870 -0.056 0.000 1.148 286 L CA -0.595 54.176 54.840 -0.114 0.000 0.825 286 L CB 0.805 42.816 42.059 -0.080 0.000 1.117 286 L HN 0.310 nan 8.230 nan 0.000 0.456 287 S N 0.776 116.460 115.700 -0.027 0.000 2.645 287 S HA 0.179 4.663 4.470 0.023 0.000 0.266 287 S C 0.738 175.333 174.600 -0.008 0.000 1.258 287 S CA -0.751 57.441 58.200 -0.014 0.000 0.990 287 S CB 1.165 64.363 63.200 -0.003 0.000 0.967 287 S HN 0.669 nan 8.310 nan 0.000 0.556 288 E N 0.245 120.441 120.200 -0.007 0.000 2.150 288 E HA -0.176 4.188 4.350 0.023 0.000 0.193 288 E C 1.203 177.806 176.600 0.004 0.000 0.985 288 E CA 1.385 57.782 56.400 -0.004 0.000 0.814 288 E CB -0.215 29.481 29.700 -0.006 0.000 0.752 288 E HN 0.832 nan 8.360 nan 0.000 0.466 289 D N 1.029 121.433 120.400 0.007 0.000 2.117 289 D HA -0.147 4.507 4.640 0.023 0.000 0.198 289 D C 1.700 178.012 176.300 0.020 0.000 0.982 289 D CA 1.083 55.090 54.000 0.012 0.000 0.828 289 D CB 0.155 40.962 40.800 0.012 0.000 0.967 289 D HN 0.115 nan 8.370 nan 0.000 0.464 290 E N -0.248 119.965 120.200 0.023 0.000 2.110 290 E HA -0.147 4.217 4.350 0.023 0.000 0.193 290 E C 2.126 178.755 176.600 0.047 0.000 0.988 290 E CA 0.495 56.917 56.400 0.037 0.000 0.804 290 E CB 0.049 29.772 29.700 0.039 0.000 0.745 290 E HN 0.363 nan 8.360 nan 0.000 0.458 291 I N 2.021 122.614 120.570 0.038 0.000 2.179 291 I HA -0.290 3.895 4.170 0.023 0.000 0.242 291 I C 2.476 178.616 176.117 0.040 0.000 1.088 291 I CA 1.662 62.991 61.300 0.047 0.000 1.357 291 I CB -1.079 36.936 38.000 0.025 0.000 1.051 291 I HN 0.164 nan 8.210 nan 0.000 0.409 292 K N 0.916 121.331 120.400 0.025 0.000 2.211 292 K HA -0.101 4.233 4.320 0.023 0.000 0.203 292 K C 1.938 178.553 176.600 0.024 0.000 1.050 292 K CA 1.077 57.375 56.287 0.019 0.000 0.945 292 K CB -0.237 32.270 32.500 0.011 0.000 0.732 292 K HN 0.229 nan 8.250 nan 0.000 0.451 293 R N 0.785 121.302 120.500 0.029 0.000 2.297 293 R HA 0.070 4.424 4.340 0.023 0.000 0.197 293 R C -0.027 176.295 176.300 0.037 0.000 0.943 293 R CA 0.352 56.470 56.100 0.029 0.000 1.038 293 R CB 0.295 30.612 30.300 0.029 0.000 0.957 293 R HN 0.079 nan 8.270 nan 0.000 0.484 294 T N 2.494 117.076 114.554 0.047 0.000 2.776 294 T HA 0.126 4.490 4.350 0.023 0.000 0.292 294 T C 1.484 176.213 174.700 0.048 0.000 0.921 294 T CA -0.133 61.998 62.100 0.053 0.000 1.038 294 T CB 0.464 69.377 68.868 0.076 0.000 0.910 294 T HN 0.286 nan 8.240 nan 0.000 0.536 295 I N 0.524 121.121 120.570 0.046 0.000 3.111 295 I HA 0.382 4.566 4.170 0.023 0.000 0.272 295 I C 0.941 177.090 176.117 0.053 0.000 1.268 295 I CA -0.029 61.299 61.300 0.046 0.000 1.467 295 I CB -0.016 38.012 38.000 0.047 0.000 1.087 295 I HN 0.564 nan 8.210 nan 0.000 0.467 296 G N 1.587 110.425 108.800 0.064 0.000 2.556 296 G HA2 0.465 4.439 3.960 0.023 0.000 0.294 296 G HA3 0.465 4.439 3.960 0.023 0.000 0.294 296 G C -1.707 173.230 174.900 0.061 0.000 1.516 296 G CA -0.613 44.514 45.100 0.045 0.000 0.824 296 G HN 0.025 nan 8.290 nan 0.000 0.535 297 M N 1.933 121.520 119.600 -0.022 0.000 2.197 297 M HA 0.609 5.103 4.480 0.023 0.000 0.301 297 M C -1.909 174.404 176.300 0.022 0.000 0.987 297 M CA -0.869 54.421 55.300 -0.016 0.000 0.921 297 M CB 1.210 33.687 32.600 -0.206 0.000 1.569 297 M HN 0.408 nan 8.290 nan 0.000 0.431 298 F N 3.432 123.404 119.950 0.037 0.000 2.385 298 F HA 0.378 4.918 4.527 0.022 0.000 0.360 298 F C 0.320 176.216 175.800 0.161 0.000 1.122 298 F CA -0.644 57.444 58.000 0.148 0.000 1.090 298 F CB 1.314 40.312 39.000 -0.003 0.000 1.150 298 F HN 0.518 nan 8.300 nan 0.000 0.472 299 Q N 4.327 124.355 119.800 0.379 0.000 2.290 299 Q HA 0.554 4.908 4.340 0.023 0.000 0.259 299 Q C -1.603 174.590 176.000 0.322 0.000 0.941 299 Q CA -0.310 55.691 55.803 0.330 0.000 0.912 299 Q CB 1.241 30.156 28.738 0.296 0.000 1.244 299 Q HN 0.709 nan 8.270 nan 0.000 0.441 300 L N 3.935 125.319 121.223 0.268 0.000 2.276 300 L HA 0.528 4.882 4.340 0.023 0.000 0.286 300 L C -0.804 176.184 176.870 0.196 0.000 1.024 300 L CA -0.496 54.471 54.840 0.211 0.000 0.826 300 L CB 1.383 43.530 42.059 0.145 0.000 1.211 300 L HN 0.578 nan 8.230 nan 0.000 0.422 301 D N 5.726 126.236 120.400 0.185 0.000 2.736 301 D HA 0.421 5.075 4.640 0.023 0.000 0.243 301 D C -0.383 176.012 176.300 0.159 0.000 1.304 301 D CA -0.306 53.810 54.000 0.193 0.000 0.934 301 D CB 1.393 42.356 40.800 0.273 0.000 1.382 301 D HN 0.432 nan 8.370 nan 0.000 0.571 302 M N 2.381 122.073 119.600 0.153 0.000 3.459 302 M HA -0.194 4.300 4.480 0.023 0.000 0.169 302 M C -0.059 176.354 176.300 0.188 0.000 1.383 302 M CA 0.303 55.702 55.300 0.166 0.000 0.906 302 M CB -1.116 31.571 32.600 0.146 0.000 1.292 302 M HN 0.279 nan 8.290 nan 0.000 0.585 303 V N -2.317 117.722 119.914 0.209 0.000 2.991 303 V HA 0.725 4.859 4.120 0.023 0.000 0.355 303 V C 0.906 177.223 176.094 0.372 0.000 1.384 303 V CA 0.740 63.203 62.300 0.272 0.000 1.171 303 V CB 1.005 32.895 31.823 0.112 0.000 1.190 303 V HN 0.802 nan 8.190 nan 0.000 0.540 304 G N -0.468 108.503 108.800 0.284 0.000 4.162 304 G HA2 0.201 4.175 3.960 0.023 0.000 0.252 304 G HA3 0.201 4.175 3.960 0.023 0.000 0.252 304 G C 0.204 175.162 174.900 0.096 0.000 1.064 304 G CA 0.593 45.793 45.100 0.167 0.000 0.850 304 G HN 0.417 nan 8.290 nan 0.000 0.454 305 S N 1.020 116.775 115.700 0.092 0.000 2.499 305 S HA 0.251 4.735 4.470 0.023 0.000 0.275 305 S C 1.733 176.338 174.600 0.007 0.000 1.257 305 S CA -0.140 58.113 58.200 0.087 0.000 1.050 305 S CB 0.869 64.154 63.200 0.142 0.000 0.937 305 S HN 0.495 nan 8.310 nan 0.000 0.490 306 K N 2.988 123.421 120.400 0.055 0.000 2.365 306 K HA 0.016 4.350 4.320 0.023 0.000 0.199 306 K C -0.140 176.486 176.600 0.043 0.000 1.045 306 K CA 1.002 57.306 56.287 0.028 0.000 0.962 306 K CB -0.000 32.535 32.500 0.058 0.000 0.759 306 K HN 0.436 nan 8.250 nan 0.000 0.469 307 D N 1.081 121.537 120.400 0.094 0.000 2.388 307 D HA 0.185 4.839 4.640 0.023 0.000 0.221 307 D C -0.106 176.185 176.300 -0.015 0.000 1.133 307 D CA 0.074 54.115 54.000 0.069 0.000 0.831 307 D CB 0.835 41.737 40.800 0.170 0.000 0.962 307 D HN 0.374 nan 8.370 nan 0.000 0.502 308 A N -0.114 122.696 122.820 -0.017 0.000 2.288 308 A HA 0.727 5.061 4.320 0.023 0.000 0.328 308 A C 0.913 178.486 177.584 -0.019 0.000 1.123 308 A CA -0.352 51.677 52.037 -0.014 0.000 0.861 308 A CB 1.157 20.182 19.000 0.041 0.000 1.272 308 A HN 0.113 nan 8.150 nan 0.000 0.490 309 G N -0.607 108.206 108.800 0.021 0.000 2.546 309 G HA2 0.417 4.391 3.960 0.023 0.000 0.239 309 G HA3 0.417 4.391 3.960 0.023 0.000 0.239 309 G C -0.484 174.469 174.900 0.088 0.000 1.476 309 G CA -0.315 44.804 45.100 0.032 0.000 1.064 309 G HN 0.683 nan 8.290 nan 0.000 0.561 310 D N -0.625 119.828 120.400 0.088 0.000 2.360 310 D HA 0.218 4.872 4.640 0.023 0.000 0.242 310 D C 0.282 176.681 176.300 0.166 0.000 1.184 310 D CA -0.348 53.729 54.000 0.130 0.000 0.930 310 D CB 1.544 42.381 40.800 0.063 0.000 1.161 310 D HN 0.094 nan 8.370 nan 0.000 0.447 311 L N 1.434 122.757 121.223 0.167 0.000 2.426 311 L HA 0.357 4.711 4.340 0.023 0.000 0.271 311 L C -0.343 176.473 176.870 -0.089 0.000 1.169 311 L CA 0.413 55.240 54.840 -0.022 0.000 0.836 311 L CB 0.273 42.327 42.059 -0.009 0.000 1.112 311 L HN 0.375 nan 8.230 nan 0.000 0.465 312 I N 4.043 124.479 120.570 -0.222 0.000 3.006 312 I HA 0.414 4.598 4.170 0.023 0.000 0.306 312 I C -1.374 174.425 176.117 -0.531 0.000 1.250 312 I CA -0.826 60.263 61.300 -0.351 0.000 0.996 312 I CB 2.073 39.778 38.000 -0.492 0.000 1.261 312 I HN 0.611 nan 8.210 nan 0.000 0.442 313 M N 5.659 124.942 119.600 -0.528 0.000 2.227 313 M HA 0.416 4.910 4.480 0.023 0.000 0.335 313 M C -1.802 174.245 176.300 -0.421 0.000 1.053 313 M CA -0.529 54.390 55.300 -0.635 0.000 0.973 313 M CB 1.466 33.714 32.600 -0.586 0.000 1.623 313 M HN 0.305 nan 8.290 nan 0.000 0.434 314 Y N 1.158 121.304 120.300 -0.256 0.000 2.352 314 Y HA 0.582 5.146 4.550 0.023 0.000 0.339 314 Y C 0.581 176.445 175.900 -0.060 0.000 0.992 314 Y CA -1.139 56.892 58.100 -0.115 0.000 1.100 314 Y CB 1.890 40.292 38.460 -0.097 0.000 1.192 314 Y HN 0.618 nan 8.280 nan 0.000 0.458 315 T N 0.172 114.859 114.554 0.222 0.000 2.908 315 T HA 0.443 4.807 4.350 0.023 0.000 0.290 315 T C 0.926 175.654 174.700 0.047 0.000 1.034 315 T CA -0.807 61.383 62.100 0.151 0.000 1.010 315 T CB 1.172 70.109 68.868 0.115 0.000 1.068 315 T HN 0.358 nan 8.240 nan 0.000 0.481 316 I N 1.908 122.378 120.570 -0.167 0.000 2.163 316 I HA -0.109 4.075 4.170 0.023 0.000 0.243 316 I C 1.887 177.855 176.117 -0.247 0.000 1.085 316 I CA 1.736 62.816 61.300 -0.368 0.000 1.347 316 I CB -1.265 36.183 38.000 -0.921 0.000 1.044 316 I HN 0.849 nan 8.210 nan 0.000 0.408 317 D N -0.079 120.199 120.400 -0.203 0.000 2.328 317 D HA 0.164 4.818 4.640 0.023 0.000 0.221 317 D C 1.542 177.857 176.300 0.024 0.000 1.072 317 D CA 0.642 54.617 54.000 -0.042 0.000 0.850 317 D CB -0.366 40.465 40.800 0.052 0.000 0.922 317 D HN 0.389 nan 8.370 nan 0.000 0.516 318 G N 0.100 108.931 108.800 0.052 0.000 2.168 318 G HA2 -0.340 3.634 3.960 0.023 0.000 0.257 318 G HA3 -0.340 3.634 3.960 0.023 0.000 0.257 318 G C 0.125 175.165 174.900 0.234 0.000 0.997 318 G CA 0.478 45.650 45.100 0.121 0.000 0.708 318 G HN 0.478 nan 8.290 nan 0.000 0.520 319 K N -0.280 120.230 120.400 0.184 0.000 2.238 319 K HA 0.526 4.860 4.320 0.023 0.000 0.239 319 K C 0.397 177.010 176.600 0.021 0.000 0.987 319 K CA -0.928 55.444 56.287 0.141 0.000 0.857 319 K CB 1.465 34.009 32.500 0.074 0.000 1.154 319 K HN 0.126 nan 8.250 nan 0.000 0.439 320 K N 1.612 121.905 120.400 -0.180 0.000 2.202 320 K HA 0.111 4.445 4.320 0.023 0.000 0.264 320 K C -0.115 176.432 176.600 -0.088 0.000 1.010 320 K CA -0.281 55.834 56.287 -0.286 0.000 0.940 320 K CB 0.464 32.714 32.500 -0.417 0.000 0.983 320 K HN 0.665 nan 8.250 nan 0.000 0.475 321 N N -0.693 117.978 118.700 -0.048 0.000 3.204 321 N HA 0.171 4.925 4.740 0.023 0.000 0.285 321 N C 0.182 175.685 175.510 -0.012 0.000 1.536 321 N CA -1.007 52.035 53.050 -0.013 0.000 0.832 321 N CB 0.635 39.129 38.487 0.011 0.000 1.645 321 N HN 0.400 nan 8.380 nan 0.000 0.586 322 R N -0.550 119.945 120.500 -0.008 0.000 2.127 322 R HA -0.058 4.296 4.340 0.023 0.000 0.238 322 R C 0.842 177.126 176.300 -0.027 0.000 1.134 322 R CA 1.640 57.740 56.100 -0.001 0.000 0.975 322 R CB -0.462 29.846 30.300 0.013 0.000 0.865 322 R HN 0.468 nan 8.270 nan 0.000 0.447 323 V N 0.473 120.319 119.914 -0.113 0.000 2.307 323 V HA -0.232 3.902 4.120 0.023 0.000 0.245 323 V C 2.516 178.526 176.094 -0.141 0.000 1.045 323 V CA 2.247 64.371 62.300 -0.292 0.000 1.024 323 V CB -0.728 30.781 31.823 -0.524 0.000 0.651 323 V HN 0.655 nan 8.190 nan 0.000 0.449 324 T N -2.377 112.108 114.554 -0.115 0.000 2.867 324 T HA -0.210 4.154 4.350 0.023 0.000 0.268 324 T C 1.550 176.143 174.700 -0.178 0.000 1.057 324 T CA 1.552 63.580 62.100 -0.119 0.000 1.136 324 T CB -0.434 68.404 68.868 -0.050 0.000 0.874 324 T HN 0.379 nan 8.240 nan 0.000 0.466 325 D N 1.407 121.779 120.400 -0.047 0.000 2.117 325 D HA 0.030 4.684 4.640 0.023 0.000 0.197 325 D C 2.113 178.378 176.300 -0.059 0.000 0.987 325 D CA 0.826 54.806 54.000 -0.035 0.000 0.829 325 D CB -0.343 40.488 40.800 0.052 0.000 0.961 325 D HN 0.374 nan 8.370 nan 0.000 0.460 326 L N 0.271 121.511 121.223 0.029 0.000 2.072 326 L HA -0.011 4.343 4.340 0.023 0.000 0.205 326 L C 2.541 179.482 176.870 0.118 0.000 1.079 326 L CA 1.223 56.126 54.840 0.104 0.000 0.752 326 L CB -0.581 41.623 42.059 0.242 0.000 0.906 326 L HN 0.075 nan 8.230 nan 0.000 0.436 327 G N -0.394 108.513 108.800 0.178 0.000 2.421 327 G HA2 -0.251 3.724 3.960 0.023 0.000 0.216 327 G HA3 -0.251 3.724 3.960 0.023 0.000 0.216 327 G C 1.768 176.680 174.900 0.021 0.000 1.171 327 G CA 0.791 46.043 45.100 0.252 0.000 0.775 327 G HN 0.452 nan 8.290 nan 0.000 0.543 328 A N 1.130 123.809 122.820 -0.235 0.000 1.902 328 A HA 0.266 4.601 4.320 0.023 0.000 0.217 328 A C 2.811 180.288 177.584 -0.179 0.000 1.181 328 A CA 2.271 54.066 52.037 -0.404 0.000 0.623 328 A CB -0.770 17.508 19.000 -1.202 0.000 0.818 328 A HN 0.765 nan 8.150 nan 0.000 0.443 329 A N -0.058 122.693 122.820 -0.115 0.000 1.858 329 A HA 0.156 4.490 4.320 0.023 0.000 0.216 329 A C 2.547 180.127 177.584 -0.007 0.000 1.190 329 A CA 2.212 54.228 52.037 -0.035 0.000 0.617 329 A CB -1.154 17.841 19.000 -0.008 0.000 0.827 329 A HN 1.072 nan 8.150 nan 0.000 0.443 330 A N -0.831 121.995 122.820 0.010 0.000 1.883 330 A HA -0.149 4.185 4.320 0.023 0.000 0.217 330 A C 2.517 180.114 177.584 0.021 0.000 1.186 330 A CA 2.360 54.411 52.037 0.023 0.000 0.624 330 A CB -1.119 17.900 19.000 0.032 0.000 0.822 330 A HN 0.588 nan 8.150 nan 0.000 0.444 331 S N 0.126 115.838 115.700 0.020 0.000 2.370 331 S HA -0.184 4.300 4.470 0.023 0.000 0.226 331 S C 2.326 176.939 174.600 0.021 0.000 1.033 331 S CA 2.161 60.377 58.200 0.026 0.000 1.011 331 S CB -0.599 62.617 63.200 0.028 0.000 0.852 331 S HN 0.926 nan 8.310 nan 0.000 0.457 332 S N 1.277 116.983 115.700 0.010 0.000 2.400 332 S HA -0.090 4.394 4.470 0.023 0.000 0.232 332 S C 1.863 176.476 174.600 0.022 0.000 1.025 332 S CA 0.909 59.120 58.200 0.019 0.000 0.993 332 S CB -0.503 62.707 63.200 0.017 0.000 0.808 332 S HN 0.640 nan 8.310 nan 0.000 0.478 333 R N 0.337 120.849 120.500 0.020 0.000 2.140 333 R HA 0.340 4.694 4.340 0.023 0.000 0.213 333 R C 2.089 178.408 176.300 0.030 0.000 1.059 333 R CA 0.942 57.055 56.100 0.021 0.000 1.000 333 R CB -0.269 30.039 30.300 0.014 0.000 0.910 333 R HN 0.415 nan 8.270 nan 0.000 0.455 334 L N -1.127 120.116 121.223 0.033 0.000 2.316 334 L HA 0.156 4.511 4.340 0.023 0.000 0.207 334 L C 1.371 178.264 176.870 0.038 0.000 1.070 334 L CA 0.737 55.601 54.840 0.040 0.000 0.820 334 L CB 0.339 42.422 42.059 0.039 0.000 0.992 334 L HN -0.004 nan 8.230 nan 0.000 0.466 335 S N -1.632 114.090 115.700 0.037 0.000 2.648 335 S HA 0.521 5.006 4.470 0.023 0.000 0.270 335 S C 0.413 175.035 174.600 0.037 0.000 1.080 335 S CA 0.318 58.541 58.200 0.039 0.000 1.159 335 S CB 1.988 65.216 63.200 0.046 0.000 1.091 335 S HN 0.509 nan 8.310 nan 0.000 0.605 336 G N 1.159 109.980 108.800 0.036 0.000 2.250 336 G HA2 0.034 4.008 3.960 0.023 0.000 0.252 336 G HA3 0.034 4.008 3.960 0.023 0.000 0.252 336 G C -1.267 173.657 174.900 0.040 0.000 1.325 336 G CA -0.562 44.560 45.100 0.037 0.000 1.091 336 G HN 0.287 nan 8.290 nan 0.000 0.476 337 V N 0.962 120.905 119.914 0.048 0.000 2.508 337 V HA 0.479 4.613 4.120 0.023 0.000 0.281 337 V C 0.258 176.387 176.094 0.058 0.000 1.041 337 V CA -0.012 62.325 62.300 0.062 0.000 1.016 337 V CB 1.112 32.981 31.823 0.077 0.000 0.984 337 V HN 0.882 nan 8.190 nan 0.000 0.478 338 L N 9.791 131.044 121.223 0.051 0.000 2.295 338 L HA 0.644 4.999 4.340 0.023 0.000 0.281 338 L C -2.444 174.481 176.870 0.091 0.000 1.018 338 L CA -1.930 52.932 54.840 0.036 0.000 0.841 338 L CB 1.361 43.422 42.059 0.003 0.000 1.218 338 L HN 0.389 nan 8.230 nan 0.000 0.424 339 P HA 0.297 nan 4.420 nan 0.000 0.274 339 P C -1.794 175.602 177.300 0.160 0.000 1.256 339 P CA 0.079 63.272 63.100 0.154 0.000 0.795 339 P CB 0.452 32.168 31.700 0.028 0.000 1.038 340 Y N -2.011 118.315 120.300 0.044 0.000 2.605 340 Y HA 0.892 5.468 4.550 0.044 0.000 0.343 340 Y C -0.197 175.710 175.900 0.010 0.000 1.036 340 Y CA -0.979 57.112 58.100 -0.014 0.000 1.065 340 Y CB 1.231 39.757 38.460 0.109 0.000 1.288 340 Y HN 0.630 nan 8.280 nan 0.000 0.481 341 G N 0.599 109.398 108.800 -0.002 0.000 2.682 341 G HA2 0.412 4.386 3.960 0.023 0.000 0.303 341 G HA3 0.412 4.386 3.960 0.023 0.000 0.303 341 G C -2.273 172.777 174.900 0.251 0.000 1.341 341 G CA -1.188 43.939 45.100 0.044 0.000 0.784 341 G HN 0.834 nan 8.290 nan 0.000 0.497 342 Q N -0.124 119.748 119.800 0.119 0.000 2.322 342 Q HA 0.632 4.986 4.340 0.023 0.000 0.265 342 Q C -1.312 174.586 176.000 -0.169 0.000 0.985 342 Q CA -0.433 55.383 55.803 0.022 0.000 0.849 342 Q CB 1.658 30.381 28.738 -0.025 0.000 1.274 342 Q HN 0.506 nan 8.270 nan 0.000 0.449 343 E N 2.142 122.244 120.200 -0.162 0.000 2.431 343 E HA 0.482 4.846 4.350 0.023 0.000 0.287 343 E C -1.542 175.040 176.600 -0.030 0.000 1.032 343 E CA -0.057 56.167 56.400 -0.294 0.000 0.839 343 E CB 0.967 30.125 29.700 -0.902 0.000 1.218 343 E HN 0.648 nan 8.360 nan 0.000 0.424 344 G N 1.597 110.355 108.800 -0.070 0.000 3.410 344 G HA2 0.424 4.398 3.960 0.023 0.000 0.189 344 G HA3 0.424 4.398 3.960 0.023 0.000 0.189 344 G C -0.587 174.339 174.900 0.044 0.000 1.404 344 G CA 0.069 45.118 45.100 -0.085 0.000 0.898 344 G HN 0.598 nan 8.290 nan 0.000 0.650 345 R N -1.705 118.787 120.500 -0.014 0.000 3.989 345 R HA -0.141 4.213 4.340 0.023 0.000 0.377 345 R C 0.160 176.526 176.300 0.111 0.000 1.158 345 R CA 0.891 57.017 56.100 0.043 0.000 1.035 345 R CB -1.983 28.342 30.300 0.042 0.000 1.557 345 R HN 0.480 nan 8.270 nan 0.000 0.551 346 S N -1.724 114.070 115.700 0.157 0.000 2.671 346 S HA 0.251 4.735 4.470 0.023 0.000 0.277 346 S C 0.029 174.752 174.600 0.204 0.000 1.165 346 S CA -0.801 57.547 58.200 0.247 0.000 0.822 346 S CB 1.448 64.887 63.200 0.398 0.000 1.150 346 S HN 0.142 nan 8.310 nan 0.000 0.479 347 D N 1.221 121.752 120.400 0.219 0.000 2.271 347 D HA -0.153 4.501 4.640 0.023 0.000 0.207 347 D C 1.571 178.013 176.300 0.236 0.000 0.983 347 D CA 1.286 55.337 54.000 0.084 0.000 0.878 347 D CB -0.330 40.479 40.800 0.016 0.000 0.920 347 D HN 0.723 nan 8.370 nan 0.000 0.479 348 H N 0.647 119.839 119.070 0.204 0.000 2.489 348 H HA -0.020 4.549 4.556 0.022 0.000 0.293 348 H C 1.682 177.135 175.328 0.208 0.000 1.066 348 H CA 1.094 57.303 56.048 0.268 0.000 1.305 348 H CB -0.521 29.353 29.762 0.187 0.000 1.386 348 H HN 0.277 nan 8.280 nan 0.000 0.551 349 E N 1.197 121.190 120.200 -0.345 0.000 2.110 349 E HA -0.118 4.246 4.350 0.023 0.000 0.193 349 E C 1.883 178.406 176.600 -0.129 0.000 0.988 349 E CA 1.123 57.351 56.400 -0.287 0.000 0.804 349 E CB 0.183 29.690 29.700 -0.321 0.000 0.745 349 E HN 0.426 nan 8.360 nan 0.000 0.458 350 S N -0.305 115.269 115.700 -0.210 0.000 2.419 350 S HA -0.096 4.388 4.470 0.023 0.000 0.233 350 S C 1.273 175.568 174.600 -0.508 0.000 1.016 350 S CA 0.863 58.817 58.200 -0.409 0.000 0.974 350 S CB -0.145 62.669 63.200 -0.643 0.000 0.786 350 S HN 0.288 nan 8.310 nan 0.000 0.492 351 F N -0.020 119.933 119.950 0.006 0.000 2.446 351 F HA 0.195 4.736 4.527 0.023 0.000 0.292 351 F C 2.178 178.001 175.800 0.038 0.000 1.096 351 F CA 0.476 58.502 58.000 0.043 0.000 1.438 351 F CB -0.632 38.429 39.000 0.101 0.000 1.107 351 F HN 0.218 nan 8.300 nan 0.000 0.546 352 H N 0.520 119.660 119.070 0.116 0.000 2.421 352 H HA -0.059 4.509 4.556 0.021 0.000 0.298 352 H C 2.142 177.469 175.328 -0.001 0.000 1.087 352 H CA 1.390 57.470 56.048 0.053 0.000 1.330 352 H CB -0.020 29.748 29.762 0.010 0.000 1.388 352 H HN 0.122 nan 8.280 nan 0.000 0.526 353 A N 0.314 123.126 122.820 -0.012 0.000 2.125 353 A HA -0.037 4.297 4.320 0.023 0.000 0.219 353 A C 2.005 179.521 177.584 -0.113 0.000 1.156 353 A CA 1.222 53.215 52.037 -0.073 0.000 0.671 353 A CB -0.443 18.511 19.000 -0.077 0.000 0.794 353 A HN 0.520 nan 8.150 nan 0.000 0.459 354 L N -1.783 119.384 121.223 -0.094 0.000 2.607 354 L HA 0.261 4.615 4.340 0.023 0.000 0.228 354 L C 1.558 178.387 176.870 -0.068 0.000 1.123 354 L CA 0.486 55.286 54.840 -0.067 0.000 0.890 354 L CB -0.032 42.011 42.059 -0.027 0.000 1.103 354 L HN 0.536 nan 8.230 nan 0.000 0.468 355 G N 1.003 109.723 108.800 -0.134 0.000 2.157 355 G HA2 -0.263 3.711 3.960 0.023 0.000 0.248 355 G HA3 -0.263 3.711 3.960 0.023 0.000 0.248 355 G C 0.215 175.078 174.900 -0.062 0.000 0.979 355 G CA -0.298 44.721 45.100 -0.136 0.000 0.650 355 G HN 0.272 nan 8.290 nan 0.000 0.529 356 I N 1.962 122.534 120.570 0.003 0.000 2.441 356 I HA 0.265 4.449 4.170 0.023 0.000 0.287 356 I C -1.798 174.365 176.117 0.076 0.000 1.049 356 I CA -2.195 59.146 61.300 0.067 0.000 1.381 356 I CB 1.158 39.255 38.000 0.161 0.000 1.409 356 I HN -0.143 nan 8.210 nan 0.000 0.523 357 P HA 0.123 nan 4.420 nan 0.000 0.264 357 P C -0.953 176.381 177.300 0.056 0.000 1.193 357 P CA 0.179 63.309 63.100 0.051 0.000 0.763 357 P CB 0.659 32.367 31.700 0.013 0.000 0.810 358 A N 2.508 125.389 122.820 0.100 0.000 2.594 358 A HA 0.854 5.188 4.320 0.023 0.000 0.295 358 A C -1.541 176.098 177.584 0.091 0.000 1.071 358 A CA -0.384 51.716 52.037 0.105 0.000 0.685 358 A CB 1.737 20.892 19.000 0.260 0.000 1.285 358 A HN 0.512 nan 8.150 nan 0.000 0.405 359 A N 0.406 123.234 122.820 0.012 0.000 2.574 359 A HA 0.685 5.019 4.320 0.023 0.000 0.297 359 A C -1.595 175.859 177.584 -0.217 0.000 1.062 359 A CA -0.446 51.520 52.037 -0.118 0.000 0.686 359 A CB 1.242 20.060 19.000 -0.302 0.000 1.285 359 A HN 2.147 nan 8.150 nan 0.000 0.403 360 L N 1.251 122.181 121.223 -0.489 0.000 2.289 360 L HA 0.828 5.182 4.340 0.023 0.000 0.285 360 L C -1.562 175.097 176.870 -0.351 0.000 1.049 360 L CA -0.230 54.351 54.840 -0.433 0.000 0.804 360 L CB 0.194 41.821 42.059 -0.719 0.000 1.195 360 L HN 0.477 nan 8.230 nan 0.000 0.428 361 F N 6.715 126.609 119.950 -0.093 0.000 2.411 361 F HA 0.652 5.191 4.527 0.019 0.000 0.352 361 F C 0.132 175.861 175.800 -0.118 0.000 1.123 361 F CA -0.270 57.668 58.000 -0.103 0.000 1.044 361 F CB 1.408 40.388 39.000 -0.033 0.000 1.135 361 F HN 0.490 nan 8.300 nan 0.000 0.461 362 I N 2.219 122.734 120.570 -0.092 0.000 2.984 362 I HA 0.333 4.517 4.170 0.023 0.000 0.303 362 I C -1.407 174.592 176.117 -0.195 0.000 1.381 362 I CA -0.687 60.556 61.300 -0.096 0.000 0.988 362 I CB 1.933 39.948 38.000 0.025 0.000 1.307 362 I HN 0.419 nan 8.210 nan 0.000 0.460 363 H N 4.883 123.970 119.070 0.027 0.000 2.604 363 H HA 0.690 5.261 4.556 0.025 0.000 0.306 363 H C -0.512 174.813 175.328 -0.004 0.000 1.075 363 H CA -0.269 55.785 56.048 0.009 0.000 1.357 363 H CB 1.439 31.218 29.762 0.029 0.000 1.426 363 H HN 0.638 nan 8.280 nan 0.000 0.470 364 A N 5.471 128.343 122.820 0.086 0.000 2.435 364 A HA 0.573 4.907 4.320 0.023 0.000 0.304 364 A C -2.660 174.948 177.584 0.039 0.000 1.064 364 A CA -1.819 50.253 52.037 0.058 0.000 0.727 364 A CB 1.349 20.403 19.000 0.090 0.000 1.284 364 A HN 0.365 nan 8.150 nan 0.000 0.415 365 P HA 0.287 nan 4.420 nan 0.000 0.269 365 P C 0.227 177.516 177.300 -0.018 0.000 1.209 365 P CA -0.180 62.921 63.100 0.001 0.000 0.776 365 P CB 0.546 32.234 31.700 -0.018 0.000 0.876 366 V N 0.033 119.914 119.914 -0.056 0.000 3.185 366 V HA 0.192 4.326 4.120 0.023 0.000 0.305 366 V C 0.607 176.639 176.094 -0.105 0.000 1.090 366 V CA -0.552 61.697 62.300 -0.084 0.000 1.107 366 V CB 0.103 31.798 31.823 -0.212 0.000 1.061 366 V HN 0.603 nan 8.190 nan 0.000 0.480 367 E N 2.707 122.849 120.200 -0.097 0.000 2.392 367 E HA 0.199 4.563 4.350 0.023 0.000 0.256 367 E C -2.225 174.182 176.600 -0.322 0.000 1.145 367 E CA -1.489 54.774 56.400 -0.229 0.000 0.929 367 E CB 0.208 29.812 29.700 -0.160 0.000 0.998 367 E HN 0.535 nan 8.360 nan 0.000 0.442 368 P HA 0.015 nan 4.420 nan 0.000 0.229 368 P C 0.522 177.628 177.300 -0.323 0.000 1.160 368 P CA 0.904 63.631 63.100 -0.622 0.000 0.777 368 P CB -0.064 31.036 31.700 -1.000 0.000 0.814 369 W N -2.452 118.914 121.300 0.111 0.000 2.800 369 W HA 0.047 4.721 4.660 0.024 0.000 0.249 369 W C 0.597 177.207 176.519 0.151 0.000 1.294 369 W CA -0.974 56.435 57.345 0.107 0.000 1.402 369 W CB -1.038 28.475 29.460 0.088 0.000 1.126 369 W HN -0.101 nan 8.180 nan 0.000 0.652 370 Y N 2.962 123.356 120.300 0.158 0.000 2.865 370 Y HA -0.238 4.327 4.550 0.025 0.000 0.338 370 Y C 1.019 177.020 175.900 0.169 0.000 1.269 370 Y CA 0.632 58.788 58.100 0.094 0.000 1.585 370 Y CB -1.011 37.418 38.460 -0.053 0.000 1.224 370 Y HN 0.252 nan 8.280 nan 0.000 0.554 371 H N 2.366 121.307 119.070 -0.215 0.000 2.899 371 H HA -0.189 4.382 4.556 0.024 0.000 0.282 371 H C 0.120 175.390 175.328 -0.096 0.000 1.198 371 H CA 0.533 56.416 56.048 -0.276 0.000 1.140 371 H CB -1.278 28.123 29.762 -0.601 0.000 1.317 371 H HN 0.791 nan 8.280 nan 0.000 0.375 372 T N -4.213 110.419 114.554 0.130 0.000 2.907 372 T HA 0.368 4.732 4.350 0.023 0.000 0.290 372 T C -2.359 172.393 174.700 0.087 0.000 1.066 372 T CA -1.926 60.240 62.100 0.111 0.000 1.012 372 T CB 2.720 71.695 68.868 0.178 0.000 1.184 372 T HN -0.295 nan 8.240 nan 0.000 0.522 373 P HA 0.104 nan 4.420 nan 0.000 0.231 373 P C 0.593 177.886 177.300 -0.011 0.000 1.158 373 P CA 0.719 63.826 63.100 0.011 0.000 0.763 373 P CB -0.243 31.454 31.700 -0.005 0.000 0.805 374 N N -1.121 117.586 118.700 0.011 0.000 2.398 374 N HA -0.049 4.705 4.740 0.023 0.000 0.188 374 N C 0.382 175.853 175.510 -0.064 0.000 1.122 374 N CA -0.049 52.934 53.050 -0.113 0.000 0.866 374 N CB -0.212 38.142 38.487 -0.222 0.000 0.970 374 N HN -0.003 nan 8.380 nan 0.000 0.462 375 D N 1.690 122.144 120.400 0.090 0.000 2.545 375 D HA 0.001 4.655 4.640 0.023 0.000 0.227 375 D C -0.163 176.166 176.300 0.048 0.000 1.150 375 D CA 0.041 54.129 54.000 0.146 0.000 1.046 375 D CB -0.304 40.615 40.800 0.197 0.000 1.098 375 D HN 0.188 nan 8.370 nan 0.000 0.502 376 T N -1.061 113.483 114.554 -0.017 0.000 2.910 376 T HA 0.233 4.597 4.350 0.023 0.000 0.287 376 T C 1.157 175.836 174.700 -0.036 0.000 1.050 376 T CA -0.923 61.148 62.100 -0.047 0.000 1.011 376 T CB 1.058 69.871 68.868 -0.092 0.000 1.195 376 T HN 0.040 nan 8.240 nan 0.000 0.540 377 L N 1.238 122.425 121.223 -0.060 0.000 2.079 377 L HA -0.037 4.317 4.340 0.023 0.000 0.210 377 L C 1.923 178.802 176.870 0.016 0.000 1.081 377 L CA 2.416 57.215 54.840 -0.068 0.000 0.752 377 L CB -0.992 40.983 42.059 -0.140 0.000 0.896 377 L HN 0.909 nan 8.230 nan 0.000 0.433 378 D N -1.982 118.418 120.400 0.001 0.000 2.378 378 D HA -0.143 4.511 4.640 0.023 0.000 0.227 378 D C 1.301 177.617 176.300 0.025 0.000 1.012 378 D CA 0.619 54.634 54.000 0.026 0.000 0.905 378 D CB -0.276 40.513 40.800 -0.018 0.000 0.895 378 D HN 0.285 nan 8.370 nan 0.000 0.532 379 K N 0.005 120.421 120.400 0.027 0.000 2.367 379 K HA 0.161 4.495 4.320 0.023 0.000 0.194 379 K C 0.600 177.273 176.600 0.122 0.000 1.027 379 K CA -0.342 55.993 56.287 0.079 0.000 1.075 379 K CB 0.933 33.500 32.500 0.111 0.000 0.845 379 K HN 0.235 nan 8.250 nan 0.000 0.529 380 I N 1.728 122.371 120.570 0.122 0.000 2.529 380 I HA 0.026 4.210 4.170 0.023 0.000 0.284 380 I C 0.535 176.739 176.117 0.144 0.000 1.082 380 I CA -0.101 61.285 61.300 0.143 0.000 1.406 380 I CB 1.047 39.143 38.000 0.160 0.000 1.405 380 I HN -0.118 nan 8.210 nan 0.000 0.548 381 S N 6.042 121.804 115.700 0.104 0.000 2.474 381 S HA 0.281 4.765 4.470 0.023 0.000 0.321 381 S C 0.965 175.609 174.600 0.073 0.000 1.080 381 S CA -0.683 57.555 58.200 0.064 0.000 1.106 381 S CB 0.763 63.973 63.200 0.016 0.000 0.984 381 S HN 0.578 nan 8.310 nan 0.000 0.464 382 K N 3.039 123.472 120.400 0.056 0.000 2.097 382 K HA -0.129 4.205 4.320 0.023 0.000 0.206 382 K C 1.854 178.473 176.600 0.033 0.000 1.049 382 K CA 1.455 57.771 56.287 0.049 0.000 0.933 382 K CB -0.040 32.448 32.500 -0.020 0.000 0.717 382 K HN 0.809 nan 8.250 nan 0.000 0.442 383 E N 1.506 121.715 120.200 0.015 0.000 2.110 383 E HA -0.207 4.157 4.350 0.023 0.000 0.193 383 E C 1.531 178.151 176.600 0.032 0.000 0.988 383 E CA 1.320 57.729 56.400 0.014 0.000 0.804 383 E CB 0.218 29.920 29.700 0.002 0.000 0.745 383 E HN 0.199 nan 8.360 nan 0.000 0.458 384 K N 0.080 120.499 120.400 0.032 0.000 2.116 384 K HA -0.042 4.292 4.320 0.023 0.000 0.203 384 K C 2.288 178.970 176.600 0.136 0.000 1.052 384 K CA 0.728 57.051 56.287 0.060 0.000 0.952 384 K CB -0.011 32.446 32.500 -0.071 0.000 0.729 384 K HN 0.186 nan 8.250 nan 0.000 0.446 385 L N 1.001 122.291 121.223 0.111 0.000 2.046 385 L HA -0.227 4.127 4.340 0.023 0.000 0.208 385 L C 2.229 179.144 176.870 0.076 0.000 1.077 385 L CA 1.449 56.356 54.840 0.112 0.000 0.747 385 L CB -0.389 41.732 42.059 0.104 0.000 0.896 385 L HN 0.226 nan 8.230 nan 0.000 0.432 386 D N -0.128 120.305 120.400 0.055 0.000 2.117 386 D HA -0.227 4.427 4.640 0.023 0.000 0.198 386 D C 1.921 178.240 176.300 0.031 0.000 0.982 386 D CA 1.264 55.281 54.000 0.029 0.000 0.828 386 D CB 0.043 40.852 40.800 0.015 0.000 0.967 386 D HN 0.159 nan 8.370 nan 0.000 0.464 387 N N -0.612 118.120 118.700 0.052 0.000 2.120 387 N HA -0.145 4.609 4.740 0.023 0.000 0.188 387 N C 1.644 177.186 175.510 0.053 0.000 1.024 387 N CA 1.532 54.617 53.050 0.057 0.000 0.852 387 N CB -0.151 38.387 38.487 0.085 0.000 1.003 387 N HN 0.092 nan 8.380 nan 0.000 0.424 388 V N 0.608 120.566 119.914 0.074 0.000 2.343 388 V HA -0.156 3.978 4.120 0.023 0.000 0.247 388 V C 2.416 178.494 176.094 -0.027 0.000 1.051 388 V CA 1.792 64.111 62.300 0.031 0.000 1.036 388 V CB -1.223 30.633 31.823 0.055 0.000 0.654 388 V HN 0.494 nan 8.190 nan 0.000 0.451 389 A N -0.035 122.778 122.820 -0.011 0.000 1.902 389 A HA -0.259 4.075 4.320 0.023 0.000 0.217 389 A C 2.000 179.551 177.584 -0.055 0.000 1.181 389 A CA 2.082 54.095 52.037 -0.040 0.000 0.623 389 A CB -0.623 18.362 19.000 -0.027 0.000 0.818 389 A HN 0.540 nan 8.150 nan 0.000 0.443 390 D N 0.031 120.413 120.400 -0.031 0.000 2.097 390 D HA -0.118 4.536 4.640 0.023 0.000 0.195 390 D C 1.906 178.187 176.300 -0.032 0.000 0.989 390 D CA 1.323 55.308 54.000 -0.026 0.000 0.827 390 D CB -0.346 40.453 40.800 -0.001 0.000 0.966 390 D HN 0.529 nan 8.370 nan 0.000 0.456 391 I N 0.359 120.911 120.570 -0.031 0.000 2.163 391 I HA -0.206 3.978 4.170 0.023 0.000 0.240 391 I C 2.471 178.523 176.117 -0.108 0.000 1.081 391 I CA 0.591 61.871 61.300 -0.033 0.000 1.353 391 I CB -0.176 37.828 38.000 0.007 0.000 1.054 391 I HN -0.124 nan 8.210 nan 0.000 0.407 392 V N 1.054 120.837 119.914 -0.217 0.000 2.343 392 V HA -0.203 3.931 4.120 0.023 0.000 0.247 392 V C 2.582 178.475 176.094 -0.335 0.000 1.051 392 V CA 2.193 64.254 62.300 -0.398 0.000 1.036 392 V CB -1.390 30.146 31.823 -0.478 0.000 0.654 392 V HN 0.580 nan 8.190 nan 0.000 0.451 393 G N -0.647 108.034 108.800 -0.199 0.000 2.418 393 G HA2 -0.229 3.745 3.960 0.023 0.000 0.217 393 G HA3 -0.229 3.745 3.960 0.023 0.000 0.217 393 G C 1.831 176.685 174.900 -0.076 0.000 1.158 393 G CA 1.193 46.211 45.100 -0.137 0.000 0.771 393 G HN 0.520 nan 8.290 nan 0.000 0.545 394 S N 0.885 116.559 115.700 -0.044 0.000 2.406 394 S HA 0.097 4.581 4.470 0.023 0.000 0.228 394 S C 2.730 177.350 174.600 0.034 0.000 1.020 394 S CA 0.977 59.201 58.200 0.040 0.000 0.965 394 S CB -0.211 63.011 63.200 0.036 0.000 0.798 394 S HN 0.576 nan 8.310 nan 0.000 0.488 395 A N 1.137 123.936 122.820 -0.035 0.000 1.898 395 A HA -0.015 4.319 4.320 0.023 0.000 0.216 395 A C 2.303 179.852 177.584 -0.058 0.000 1.181 395 A CA 1.330 53.370 52.037 0.005 0.000 0.620 395 A CB -0.818 18.239 19.000 0.095 0.000 0.819 395 A HN 0.338 nan 8.150 nan 0.000 0.442 396 V N -1.585 118.164 119.914 -0.276 0.000 2.358 396 V HA -0.233 3.901 4.120 0.023 0.000 0.246 396 V C 2.359 178.429 176.094 -0.039 0.000 1.047 396 V CA 1.969 64.089 62.300 -0.299 0.000 1.035 396 V CB -0.918 30.643 31.823 -0.436 0.000 0.658 396 V HN 0.692 nan 8.190 nan 0.000 0.452 397 Y N 0.829 121.060 120.300 -0.114 0.000 2.352 397 Y HA -0.218 4.347 4.550 0.025 0.000 0.292 397 Y C 2.637 178.518 175.900 -0.032 0.000 1.136 397 Y CA 1.840 59.907 58.100 -0.054 0.000 1.227 397 Y CB -0.315 38.121 38.460 -0.041 0.000 0.991 397 Y HN 0.335 nan 8.280 nan 0.000 0.545 398 Q N -0.458 119.322 119.800 -0.033 0.000 2.181 398 Q HA -0.191 4.163 4.340 0.023 0.000 0.205 398 Q C 2.085 178.013 176.000 -0.120 0.000 0.980 398 Q CA 1.665 57.413 55.803 -0.090 0.000 0.862 398 Q CB -0.177 28.554 28.738 -0.011 0.000 0.905 398 Q HN 0.538 nan 8.270 nan 0.000 0.429 399 A N -0.142 122.632 122.820 -0.075 0.000 1.924 399 A HA 0.244 4.578 4.320 0.023 0.000 0.211 399 A C 2.121 179.651 177.584 -0.091 0.000 1.198 399 A CA 0.812 52.816 52.037 -0.055 0.000 0.657 399 A CB -0.537 18.469 19.000 0.010 0.000 0.852 399 A HN 0.454 nan 8.150 nan 0.000 0.454 400 A N 0.732 123.496 122.820 -0.094 0.000 2.066 400 A HA 0.038 4.372 4.320 0.023 0.000 0.218 400 A C 1.472 178.965 177.584 -0.152 0.000 1.157 400 A CA 0.506 52.504 52.037 -0.064 0.000 0.670 400 A CB -0.477 18.552 19.000 0.050 0.000 0.804 400 A HN 0.675 nan 8.150 nan 0.000 0.453 401 R N 0.189 120.411 120.500 -0.463 0.000 2.679 401 R HA 0.273 4.627 4.340 0.023 0.000 0.268 401 R C -2.823 173.334 176.300 -0.238 0.000 1.044 401 R CA -1.372 54.394 56.100 -0.558 0.000 1.105 401 R CB -0.748 28.891 30.300 -1.101 0.000 0.989 401 R HN -0.030 nan 8.270 nan 0.000 0.447 402 P HA 0.063 nan 4.420 nan 0.000 0.264 402 P C -0.057 177.197 177.300 -0.076 0.000 1.183 402 P CA 1.196 64.255 63.100 -0.067 0.000 0.763 402 P CB 0.713 32.396 31.700 -0.028 0.000 0.807 403 G N 1.343 110.110 108.800 -0.055 0.000 2.353 403 G HA2 -0.042 3.932 3.960 0.023 0.000 0.615 403 G HA3 -0.042 3.932 3.960 0.023 0.000 0.615 403 G C -1.358 173.515 174.900 -0.046 0.000 1.280 403 G CA -0.836 44.235 45.100 -0.049 0.000 1.000 403 G HN 0.599 nan 8.290 nan 0.000 0.516 404 E N -0.881 119.297 120.200 -0.037 0.000 2.313 404 E HA 0.517 4.882 4.350 0.023 0.000 0.272 404 E C -0.099 176.480 176.600 -0.035 0.000 1.038 404 E CA -0.851 55.531 56.400 -0.029 0.000 0.863 404 E CB 1.114 30.802 29.700 -0.020 0.000 1.060 404 E HN 0.704 nan 8.360 nan 0.000 0.402 405 L N 4.879 126.086 121.223 -0.027 0.000 2.360 405 L HA 0.252 4.606 4.340 0.023 0.000 0.276 405 L C -1.330 175.531 176.870 -0.016 0.000 1.121 405 L CA 0.057 54.882 54.840 -0.025 0.000 0.845 405 L CB 1.005 43.056 42.059 -0.012 0.000 1.143 405 L HN 0.304 nan 8.230 nan 0.000 0.452 406 V N 6.830 126.733 119.914 -0.018 0.000 2.577 406 V HA 0.481 4.615 4.120 0.023 0.000 0.303 406 V C -0.551 175.541 176.094 -0.003 0.000 1.042 406 V CA -0.589 61.706 62.300 -0.009 0.000 0.872 406 V CB 1.861 33.676 31.823 -0.013 0.000 0.998 406 V HN 0.512 nan 8.190 nan 0.000 0.423 407 I N 3.590 124.164 120.570 0.006 0.000 2.411 407 I HA 0.446 4.630 4.170 0.023 0.000 0.284 407 I C 0.437 176.565 176.117 0.017 0.000 1.012 407 I CA -0.678 60.630 61.300 0.014 0.000 1.119 407 I CB 1.464 39.478 38.000 0.023 0.000 1.261 407 I HN 0.673 nan 8.210 nan 0.000 0.448 408 E N 7.051 127.261 120.200 0.016 0.000 2.390 408 E HA 0.207 4.571 4.350 0.023 0.000 0.261 408 E C -2.016 174.603 176.600 0.033 0.000 1.076 408 E CA -1.405 55.007 56.400 0.020 0.000 0.905 408 E CB 0.443 30.152 29.700 0.016 0.000 0.984 408 E HN 0.350 nan 8.360 nan 0.000 0.427 409 P HA 0.108 nan 4.420 nan 0.000 0.276 409 P C -0.643 176.691 177.300 0.057 0.000 1.264 409 P CA 0.348 63.475 63.100 0.044 0.000 0.769 409 P CB -0.061 31.657 31.700 0.030 0.000 0.840 410 I N -0.648 119.977 120.570 0.092 0.000 2.752 410 I HA 0.486 4.670 4.170 0.023 0.000 0.295 410 I C -1.297 174.933 176.117 0.187 0.000 1.219 410 I CA -1.252 60.116 61.300 0.115 0.000 1.030 410 I CB 2.595 40.656 38.000 0.102 0.000 1.259 410 I HN -0.045 nan 8.210 nan 0.000 0.423 411 D N 5.130 125.619 120.400 0.147 0.000 2.256 411 D HA 0.549 5.203 4.640 0.023 0.000 0.250 411 D C -1.343 175.110 176.300 0.254 0.000 1.093 411 D CA 0.496 54.574 54.000 0.131 0.000 0.882 411 D CB 1.029 41.865 40.800 0.061 0.000 1.185 411 D HN 0.583 nan 8.370 nan 0.000 0.437 412 Y N -0.794 119.541 120.300 0.059 0.000 2.441 412 Y HA 0.530 5.073 4.550 -0.012 0.000 0.334 412 Y C -3.090 172.918 175.900 0.180 0.000 1.061 412 Y CA -2.992 55.165 58.100 0.094 0.000 1.032 412 Y CB 0.653 39.163 38.460 0.082 0.000 1.266 412 Y HN 0.175 nan 8.280 nan 0.000 0.441 413 P HA 0.299 nan 4.420 nan 0.000 0.276 413 P C -0.983 176.333 177.300 0.027 0.000 1.244 413 P CA -0.540 62.624 63.100 0.108 0.000 0.801 413 P CB 1.878 33.608 31.700 0.050 0.000 1.006 414 R N 1.702 122.056 120.500 -0.245 0.000 2.297 414 R HA 0.387 4.741 4.340 0.023 0.000 0.308 414 R C -0.173 175.921 176.300 -0.344 0.000 1.029 414 R CA -0.629 55.006 56.100 -0.775 0.000 0.929 414 R CB 0.701 30.522 30.300 -0.798 0.000 1.046 414 R HN 0.476 nan 8.270 nan 0.000 0.461 415 R N 3.462 123.786 120.500 -0.294 0.000 2.480 415 R HA 0.338 4.692 4.340 0.023 0.000 0.306 415 R C -0.976 175.279 176.300 -0.076 0.000 0.958 415 R CA -0.644 55.377 56.100 -0.132 0.000 0.861 415 R CB 0.968 31.219 30.300 -0.081 0.000 1.171 415 R HN 0.729 nan 8.270 nan 0.000 0.445 416 N N 0.000 118.668 118.700 -0.053 0.000 1.763 416 N HA 0.000 4.754 4.740 0.023 0.000 0.220 416 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 416 N CB 0.000 38.460 38.487 -0.045 0.000 1.341 416 N HN 0.000 nan 8.380 nan 0.000 0.667