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 2bn4_1_B DATA FIRST_RESID 47 DATA SEQUENCE NRDIAQVVTE NNKNYLVLYA SQTGTAEDYA KKFSKELVAK FNLNVMCADV DATA SEQUENCE ENYDFESLND VPVIVSIFIS TYGEGDFPDG AVNFEDFICN AEAGALSNLR DATA SEQUENCE YNMFGLGNST YEFFNGAAKK AEKHLSAAGA IRLGKLGEAD DGAGTTDEDY DATA SEQUENCE MAWKDSILEV LKDELHLDEQ EAKFTSQFQY TVLNEITDSM SLGEPSAHYL DATA SEQUENCE PSHQLXXXXD GIQLGPFDLS QPYIAPIVKS RELFSSNDRN CIHSEFDLSG DATA SEQUENCE SNIKYSTGDH LAVWPSNPLE KVEQFLSIFN LDPETIFDLK PLDPTVKVPF DATA SEQUENCE PTPTTIGAAI KHYLEITGPV SRQLFSSLIQ FAPNADVKEK LTLLSKDKDQ DATA SEQUENCE FAVEITSKYF NIADALKYLS DGAKWDTVPM QFLVESVPQM TPRYYSISSS DATA SEQUENCE SLSEKQTVHV TSIVENFPNP ELPDAPPVVG VTTNLLRNIQ LAQNNVNIAE DATA SEQUENCE TNLPVHYDLN GPRKLFANYK LPVHVRRSNF RLPSNPSTPV IMIGPGTGVA DATA SEQUENCE PFRGFIRERV AFLESQKKGG NNVSLGKHIL FYGSRNTDDF LYQDEWPEYA DATA SEQUENCE KKLDGSFEMV VAHSRLPNTK KVYVQDKLKD YEDQVFEMIN NGAFIYVCGD DATA SEQUENCE AKGMAKGVST ALVGILSRGK SITTDEATEL IKMLKTSGRY QEDVW 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.451 175.510 -0.099 0.000 1.280 47 N CA 0.000 53.016 53.050 -0.056 0.000 0.885 47 N CB 0.000 38.449 38.487 -0.063 0.000 1.341 48 R N 0.258 120.683 120.500 -0.124 0.000 2.480 48 R HA 0.252 4.592 4.340 0.000 0.000 0.277 48 R C -1.078 175.168 176.300 -0.090 0.000 1.008 48 R CA -0.111 55.872 56.100 -0.195 0.000 1.090 48 R CB -0.221 29.967 30.300 -0.187 0.000 1.234 48 R HN 0.283 nan 8.270 nan 0.000 0.549 49 D N 0.537 120.912 120.400 -0.041 0.000 2.373 49 D HA 0.022 4.662 4.640 0.000 0.000 0.227 49 D C 0.952 177.217 176.300 -0.058 0.000 1.091 49 D CA -0.367 53.593 54.000 -0.065 0.000 0.840 49 D CB 0.967 41.732 40.800 -0.058 0.000 1.060 49 D HN -0.105 nan 8.370 nan 0.000 0.502 50 I N 4.893 125.343 120.570 -0.200 0.000 2.052 50 I HA -0.248 3.922 4.170 0.000 0.000 0.235 50 I C 2.004 178.011 176.117 -0.183 0.000 1.046 50 I CA 2.156 63.268 61.300 -0.314 0.000 1.308 50 I CB -0.601 36.993 38.000 -0.676 0.000 1.031 50 I HN 0.539 nan 8.210 nan 0.000 0.395 51 A N -0.527 122.207 122.820 -0.143 0.000 1.903 51 A HA -0.359 3.961 4.320 0.000 0.000 0.219 51 A C 2.294 179.846 177.584 -0.054 0.000 1.191 51 A CA 2.434 54.426 52.037 -0.075 0.000 0.638 51 A CB -1.034 17.937 19.000 -0.047 0.000 0.823 51 A HN 0.724 nan 8.150 nan 0.000 0.451 52 Q N -0.814 118.956 119.800 -0.049 0.000 1.948 52 Q HA -0.149 4.191 4.340 0.000 0.000 0.205 52 Q C 2.220 178.210 176.000 -0.017 0.000 0.992 52 Q CA 2.031 57.818 55.803 -0.027 0.000 0.849 52 Q CB -0.461 28.264 28.738 -0.022 0.000 0.918 52 Q HN 0.466 nan 8.270 nan 0.000 0.421 53 V N 0.472 120.384 119.914 -0.003 0.000 2.250 53 V HA -0.346 3.774 4.120 0.000 0.000 0.253 53 V C 2.347 178.436 176.094 -0.008 0.000 1.065 53 V CA 2.006 64.321 62.300 0.024 0.000 1.039 53 V CB -0.861 31.023 31.823 0.103 0.000 0.647 53 V HN 0.243 nan 8.190 nan 0.000 0.446 54 V N 0.683 120.570 119.914 -0.045 0.000 2.231 54 V HA -0.328 3.792 4.120 0.000 0.000 0.248 54 V C 2.715 178.799 176.094 -0.017 0.000 1.054 54 V CA 2.905 65.181 62.300 -0.041 0.000 1.015 54 V CB -1.461 30.330 31.823 -0.053 0.000 0.638 54 V HN 0.859 nan 8.190 nan 0.000 0.444 55 T N -0.903 113.641 114.554 -0.017 0.000 2.643 55 T HA -0.264 4.086 4.350 0.000 0.000 0.264 55 T C 1.689 176.386 174.700 -0.004 0.000 1.045 55 T CA 1.758 63.852 62.100 -0.009 0.000 1.155 55 T CB -0.690 68.171 68.868 -0.011 0.000 0.863 55 T HN 0.582 nan 8.240 nan 0.000 0.420 56 E N 1.563 121.762 120.200 -0.002 0.000 2.114 56 E HA -0.161 4.189 4.350 0.000 0.000 0.199 56 E C 1.923 178.526 176.600 0.005 0.000 1.008 56 E CA 1.186 57.587 56.400 0.002 0.000 0.810 56 E CB -0.266 29.436 29.700 0.004 0.000 0.739 56 E HN 0.474 nan 8.360 nan 0.000 0.456 57 N N 0.963 119.667 118.700 0.006 0.000 2.370 57 N HA -0.014 4.726 4.740 0.000 0.000 0.198 57 N C -0.625 174.889 175.510 0.006 0.000 1.156 57 N CA 0.091 53.146 53.050 0.008 0.000 0.839 57 N CB 0.176 38.670 38.487 0.012 0.000 0.989 57 N HN 0.114 nan 8.380 nan 0.000 0.468 58 N N 1.242 119.945 118.700 0.004 0.000 2.642 58 N HA -0.186 4.554 4.740 0.000 0.000 0.269 58 N C -0.841 174.674 175.510 0.009 0.000 1.073 58 N CA 0.955 54.008 53.050 0.005 0.000 0.748 58 N CB -0.998 37.492 38.487 0.005 0.000 0.894 58 N HN 0.371 nan 8.380 nan 0.000 0.548 59 K N 1.062 121.469 120.400 0.010 0.000 2.449 59 K HA 0.180 4.500 4.320 0.000 0.000 0.257 59 K C 0.871 177.492 176.600 0.036 0.000 0.989 59 K CA -0.645 55.656 56.287 0.023 0.000 0.916 59 K CB 0.665 33.177 32.500 0.020 0.000 1.136 59 K HN 0.262 nan 8.250 nan 0.000 0.439 60 N N 1.555 120.283 118.700 0.047 0.000 2.364 60 N HA -0.177 4.563 4.740 0.000 0.000 0.183 60 N C -0.318 175.242 175.510 0.084 0.000 1.022 60 N CA 1.035 54.113 53.050 0.047 0.000 0.883 60 N CB -0.067 38.448 38.487 0.047 0.000 0.965 60 N HN 0.475 nan 8.380 nan 0.000 0.438 61 Y N -0.838 119.468 120.300 0.009 0.000 2.470 61 Y HA 0.453 5.003 4.550 0.000 0.000 0.341 61 Y C -1.658 174.277 175.900 0.059 0.000 1.021 61 Y CA -1.657 56.465 58.100 0.037 0.000 1.025 61 Y CB 1.449 39.926 38.460 0.028 0.000 1.266 61 Y HN -0.070 nan 8.280 nan 0.000 0.448 62 L N 6.749 128.290 121.223 0.529 0.000 2.305 62 L HA 0.672 5.012 4.340 0.000 0.000 0.284 62 L C -1.673 175.473 176.870 0.460 0.000 1.013 62 L CA -0.617 54.430 54.840 0.345 0.000 0.819 62 L CB 1.412 43.573 42.059 0.170 0.000 1.227 62 L HN 0.405 nan 8.230 nan 0.000 0.417 63 V N 6.718 126.832 119.914 0.334 0.000 2.357 63 V HA 0.452 4.572 4.120 0.000 0.000 0.284 63 V C 0.203 176.480 176.094 0.304 0.000 1.018 63 V CA -0.511 62.026 62.300 0.395 0.000 0.841 63 V CB 1.245 33.300 31.823 0.386 0.000 0.991 63 V HN 0.646 nan 8.190 nan 0.000 0.437 64 L N 5.368 126.775 121.223 0.307 0.000 2.358 64 L HA 0.726 5.066 4.340 0.000 0.000 0.268 64 L C -0.863 176.178 176.870 0.284 0.000 1.032 64 L CA -0.913 54.010 54.840 0.137 0.000 0.805 64 L CB 1.823 43.881 42.059 -0.002 0.000 1.253 64 L HN 0.786 nan 8.230 nan 0.000 0.452 65 Y N -0.379 119.952 120.300 0.051 0.000 2.442 65 Y HA 0.706 5.256 4.550 0.000 0.000 0.330 65 Y C -1.004 174.893 175.900 -0.006 0.000 1.100 65 Y CA -1.375 56.774 58.100 0.081 0.000 1.034 65 Y CB 1.290 39.791 38.460 0.068 0.000 1.285 65 Y HN 0.443 nan 8.280 nan 0.000 0.440 66 A N 3.058 125.990 122.820 0.186 0.000 2.938 66 A HA 0.632 4.952 4.320 0.000 0.000 0.344 66 A C -0.410 177.248 177.584 0.123 0.000 1.142 66 A CA -0.207 51.888 52.037 0.097 0.000 0.841 66 A CB 0.064 19.100 19.000 0.061 0.000 1.083 66 A HN 0.842 nan 8.150 nan 0.000 0.479 67 S N 0.465 116.276 115.700 0.185 0.000 2.718 67 S HA 0.554 5.024 4.470 0.000 0.000 0.300 67 S C 0.474 175.080 174.600 0.010 0.000 1.117 67 S CA -0.127 58.138 58.200 0.108 0.000 1.002 67 S CB 1.757 65.015 63.200 0.098 0.000 1.092 67 S HN 0.693 nan 8.310 nan 0.000 0.542 68 Q N -0.093 119.678 119.800 -0.047 0.000 2.089 68 Q HA 0.305 4.645 4.340 0.000 0.000 0.227 68 Q C -0.175 175.772 176.000 -0.089 0.000 0.774 68 Q CA 0.023 55.723 55.803 -0.172 0.000 0.960 68 Q CB 0.817 29.217 28.738 -0.563 0.000 1.179 68 Q HN 0.720 nan 8.270 nan 0.000 0.460 69 T N -1.340 113.218 114.554 0.008 0.000 3.403 69 T HA 0.288 4.638 4.350 0.000 0.000 0.308 69 T C 0.637 175.352 174.700 0.024 0.000 0.952 69 T CA 0.407 62.533 62.100 0.044 0.000 0.970 69 T CB 1.093 70.007 68.868 0.075 0.000 1.189 69 T HN 0.402 nan 8.240 nan 0.000 0.528 70 G N 1.648 110.446 108.800 -0.003 0.000 2.267 70 G HA2 -0.373 3.587 3.960 0.000 0.000 0.257 70 G HA3 -0.373 3.587 3.960 0.000 0.000 0.257 70 G C 1.174 176.023 174.900 -0.085 0.000 0.998 70 G CA 1.028 46.091 45.100 -0.062 0.000 0.620 70 G HN 0.492 nan 8.290 nan 0.000 0.529 71 T N 1.098 115.646 114.554 -0.010 0.000 2.665 71 T HA 0.015 4.365 4.350 0.000 0.000 0.268 71 T C 2.749 177.493 174.700 0.073 0.000 1.035 71 T CA 2.918 65.035 62.100 0.029 0.000 1.151 71 T CB -0.497 68.448 68.868 0.127 0.000 0.862 71 T HN 1.308 nan 8.240 nan 0.000 0.438 72 A N 1.155 124.026 122.820 0.085 0.000 1.872 72 A HA -0.068 4.252 4.320 0.000 0.000 0.214 72 A C 2.234 179.735 177.584 -0.139 0.000 1.187 72 A CA 1.776 53.883 52.037 0.116 0.000 0.614 72 A CB -0.685 18.424 19.000 0.182 0.000 0.826 72 A HN 0.616 nan 8.150 nan 0.000 0.442 73 E N -0.079 119.936 120.200 -0.308 0.000 2.097 73 E HA -0.313 4.037 4.350 0.000 0.000 0.196 73 E C 1.659 177.914 176.600 -0.575 0.000 1.000 73 E CA 1.692 57.609 56.400 -0.805 0.000 0.804 73 E CB -0.209 29.010 29.700 -0.801 0.000 0.740 73 E HN 0.604 nan 8.360 nan 0.000 0.454 74 D N -0.819 119.335 120.400 -0.409 0.000 2.078 74 D HA -0.204 4.436 4.640 0.000 0.000 0.193 74 D C 1.733 177.706 176.300 -0.545 0.000 0.990 74 D CA 1.599 55.332 54.000 -0.446 0.000 0.827 74 D CB -0.345 40.168 40.800 -0.479 0.000 0.975 74 D HN 0.336 nan 8.370 nan 0.000 0.451 75 Y N 0.392 120.428 120.300 -0.439 0.000 2.200 75 Y HA -0.038 4.512 4.550 0.000 0.000 0.290 75 Y C 2.525 177.893 175.900 -0.888 0.000 1.137 75 Y CA 0.985 58.674 58.100 -0.685 0.000 1.163 75 Y CB -0.433 37.650 38.460 -0.629 0.000 0.988 75 Y HN 0.045 nan 8.280 nan 0.000 0.518 76 A N 0.245 122.505 122.820 -0.934 0.000 2.024 76 A HA -0.238 4.082 4.320 0.000 0.000 0.220 76 A C 2.049 179.430 177.584 -0.340 0.000 1.164 76 A CA 1.923 53.351 52.037 -1.014 0.000 0.643 76 A CB -0.446 18.278 19.000 -0.460 0.000 0.806 76 A HN 0.451 nan 8.150 nan 0.000 0.451 77 K N -0.552 119.662 120.400 -0.309 0.000 2.137 77 K HA 0.009 4.329 4.320 0.000 0.000 0.202 77 K C 1.996 178.536 176.600 -0.101 0.000 1.052 77 K CA 1.049 57.237 56.287 -0.166 0.000 0.961 77 K CB -0.084 32.300 32.500 -0.194 0.000 0.741 77 K HN 0.373 nan 8.250 nan 0.000 0.452 78 K N 0.447 120.766 120.400 -0.135 0.000 2.032 78 K HA -0.170 4.150 4.320 0.000 0.000 0.209 78 K C 1.964 178.645 176.600 0.134 0.000 1.048 78 K CA 1.539 57.811 56.287 -0.025 0.000 0.927 78 K CB -0.252 32.199 32.500 -0.081 0.000 0.712 78 K HN 0.028 nan 8.250 nan 0.000 0.441 79 F N 1.602 121.580 119.950 0.047 0.000 2.010 79 F HA -0.283 4.244 4.527 0.000 0.000 0.296 79 F C 2.706 178.537 175.800 0.052 0.000 1.146 79 F CA 1.961 60.072 58.000 0.184 0.000 1.181 79 F CB -0.979 38.206 39.000 0.308 0.000 0.965 79 F HN -0.047 nan 8.300 nan 0.000 0.480 80 S N -0.392 115.365 115.700 0.096 0.000 2.380 80 S HA -0.326 4.144 4.470 0.000 0.000 0.229 80 S C 2.165 176.685 174.600 -0.135 0.000 1.043 80 S CA 2.055 60.216 58.200 -0.066 0.000 1.038 80 S CB -0.479 62.747 63.200 0.044 0.000 0.872 80 S HN 0.388 nan 8.310 nan 0.000 0.456 81 K N 0.976 121.324 120.400 -0.087 0.000 2.062 81 K HA 0.099 4.419 4.320 0.000 0.000 0.205 81 K C 2.195 178.744 176.600 -0.086 0.000 1.051 81 K CA 1.421 57.651 56.287 -0.095 0.000 0.941 81 K CB -0.292 32.175 32.500 -0.054 0.000 0.719 81 K HN 0.492 nan 8.250 nan 0.000 0.440 82 E N -0.188 119.973 120.200 -0.065 0.000 2.204 82 E HA -0.173 4.177 4.350 0.000 0.000 0.194 82 E C 1.631 178.178 176.600 -0.087 0.000 0.989 82 E CA 0.548 56.919 56.400 -0.049 0.000 0.824 82 E CB 0.057 29.751 29.700 -0.010 0.000 0.756 82 E HN 0.081 nan 8.360 nan 0.000 0.477 83 L N 0.271 121.373 121.223 -0.203 0.000 2.042 83 L HA -0.169 4.171 4.340 0.000 0.000 0.210 83 L C 2.206 179.088 176.870 0.020 0.000 1.076 83 L CA 1.333 56.073 54.840 -0.166 0.000 0.749 83 L CB -0.466 41.330 42.059 -0.438 0.000 0.893 83 L HN 0.054 nan 8.230 nan 0.000 0.432 84 V N -0.979 118.900 119.914 -0.058 0.000 2.591 84 V HA -0.106 4.014 4.120 0.000 0.000 0.249 84 V C 2.671 178.734 176.094 -0.052 0.000 1.053 84 V CA 1.043 63.316 62.300 -0.045 0.000 1.068 84 V CB -1.134 30.623 31.823 -0.109 0.000 0.689 84 V HN 0.489 nan 8.190 nan 0.000 0.462 85 A N 0.705 123.486 122.820 -0.065 0.000 1.917 85 A HA -0.255 4.065 4.320 0.000 0.000 0.219 85 A C 2.229 179.743 177.584 -0.115 0.000 1.182 85 A CA 2.239 54.238 52.037 -0.064 0.000 0.633 85 A CB -0.299 18.685 19.000 -0.026 0.000 0.819 85 A HN 0.607 nan 8.150 nan 0.000 0.448 86 K N -2.849 117.445 120.400 -0.177 0.000 2.360 86 K HA 0.291 4.611 4.320 0.000 0.000 0.196 86 K C 0.290 176.444 176.600 -0.744 0.000 1.049 86 K CA 0.414 56.412 56.287 -0.482 0.000 1.049 86 K CB 0.350 32.439 32.500 -0.685 0.000 0.881 86 K HN 0.517 nan 8.250 nan 0.000 0.542 87 F N 0.339 120.248 119.950 -0.068 0.000 2.876 87 F HA 0.220 4.747 4.527 0.000 0.000 0.344 87 F C 0.173 175.948 175.800 -0.042 0.000 1.029 87 F CA -0.561 57.410 58.000 -0.047 0.000 1.154 87 F CB 0.370 39.344 39.000 -0.043 0.000 1.040 87 F HN -0.101 nan 8.300 nan 0.000 0.576 88 N N 0.638 119.396 118.700 0.096 0.000 2.800 88 N HA -0.175 4.565 4.740 0.000 0.000 0.250 88 N C -0.315 175.222 175.510 0.045 0.000 1.078 88 N CA 0.392 53.464 53.050 0.035 0.000 0.804 88 N CB -1.763 36.737 38.487 0.021 0.000 1.135 88 N HN 0.199 nan 8.380 nan 0.000 0.565 89 L N 1.250 122.518 121.223 0.075 0.000 2.483 89 L HA 0.047 4.387 4.340 0.000 0.000 0.276 89 L C 1.224 178.107 176.870 0.021 0.000 1.213 89 L CA 0.424 55.298 54.840 0.056 0.000 0.843 89 L CB 0.100 42.200 42.059 0.068 0.000 1.107 89 L HN 0.066 nan 8.230 nan 0.000 0.487 90 N N 1.199 119.916 118.700 0.028 0.000 2.663 90 N HA 0.246 4.986 4.740 0.000 0.000 0.250 90 N C -0.986 174.540 175.510 0.028 0.000 1.129 90 N CA -0.233 52.823 53.050 0.010 0.000 0.995 90 N CB 0.265 38.758 38.487 0.011 0.000 1.324 90 N HN 0.291 nan 8.380 nan 0.000 0.512 91 V N 2.921 122.840 119.914 0.008 0.000 2.732 91 V HA 0.219 4.339 4.120 0.000 0.000 0.297 91 V C 0.634 176.742 176.094 0.022 0.000 1.060 91 V CA -0.442 61.877 62.300 0.030 0.000 1.038 91 V CB 1.433 33.239 31.823 -0.028 0.000 1.003 91 V HN 0.599 nan 8.190 nan 0.000 0.481 92 M N 4.929 124.562 119.600 0.055 0.000 2.182 92 M HA 0.336 4.816 4.480 0.000 0.000 0.285 92 M C -0.589 175.738 176.300 0.045 0.000 0.956 92 M CA -0.352 54.961 55.300 0.021 0.000 0.878 92 M CB 0.464 33.054 32.600 -0.017 0.000 1.373 92 M HN 0.791 nan 8.290 nan 0.000 0.393 93 C N 4.610 123.952 119.300 0.071 0.000 2.345 93 C HA 0.730 5.190 4.460 0.000 0.000 0.349 93 C C 0.517 175.616 174.990 0.181 0.000 1.130 93 C CA -0.094 59.016 59.018 0.154 0.000 1.574 93 C CB -1.644 26.177 27.740 0.135 0.000 2.108 93 C HN 0.795 nan 8.230 nan 0.000 0.516 94 A N 4.533 127.384 122.820 0.052 0.000 2.355 94 A HA 0.572 4.892 4.320 0.000 0.000 0.324 94 A C -0.608 176.598 177.584 -0.631 0.000 1.117 94 A CA -0.567 51.401 52.037 -0.116 0.000 0.785 94 A CB 0.787 19.596 19.000 -0.317 0.000 1.254 94 A HN 0.831 nan 8.150 nan 0.000 0.453 95 D N 1.443 121.395 120.400 -0.746 0.000 2.358 95 D HA 0.143 4.783 4.640 0.000 0.000 0.258 95 D C 1.020 177.079 176.300 -0.403 0.000 1.223 95 D CA 0.190 53.507 54.000 -1.139 0.000 0.886 95 D CB 1.029 41.603 40.800 -0.376 0.000 1.120 95 D HN 0.228 nan 8.370 nan 0.000 0.482 96 V N 3.771 123.397 119.914 -0.480 0.000 2.944 96 V HA -0.236 3.884 4.120 0.000 0.000 0.265 96 V C 1.346 177.401 176.094 -0.066 0.000 1.125 96 V CA 1.990 64.066 62.300 -0.373 0.000 1.145 96 V CB -0.466 30.893 31.823 -0.775 0.000 0.725 96 V HN 0.623 nan 8.190 nan 0.000 0.510 97 E N -0.562 119.626 120.200 -0.021 0.000 2.075 97 E HA -0.084 4.266 4.350 0.000 0.000 0.190 97 E C 1.935 178.582 176.600 0.080 0.000 0.969 97 E CA 0.846 57.276 56.400 0.051 0.000 0.815 97 E CB -0.289 29.422 29.700 0.019 0.000 0.776 97 E HN 0.606 nan 8.360 nan 0.000 0.457 98 N N 0.684 119.414 118.700 0.050 0.000 2.091 98 N HA -0.162 4.578 4.740 0.000 0.000 0.193 98 N C 0.610 175.970 175.510 -0.251 0.000 1.021 98 N CA 1.386 54.365 53.050 -0.118 0.000 0.862 98 N CB -0.410 37.940 38.487 -0.228 0.000 1.018 98 N HN 0.144 nan 8.380 nan 0.000 0.429 99 Y N 0.333 120.612 120.300 -0.035 0.000 2.436 99 Y HA 0.378 4.928 4.550 0.000 0.000 0.336 99 Y C 0.612 176.456 175.900 -0.093 0.000 1.318 99 Y CA -0.990 57.020 58.100 -0.149 0.000 1.493 99 Y CB 0.515 38.734 38.460 -0.403 0.000 1.547 99 Y HN -0.191 nan 8.280 nan 0.000 0.549 100 D N -0.083 120.254 120.400 -0.105 0.000 2.502 100 D HA 0.233 4.873 4.640 0.000 0.000 0.249 100 D C -1.301 174.791 176.300 -0.347 0.000 1.092 100 D CA -0.362 53.589 54.000 -0.081 0.000 0.839 100 D CB 0.883 41.632 40.800 -0.086 0.000 1.264 100 D HN 0.342 nan 8.370 nan 0.000 0.511 101 F N 2.273 122.067 119.950 -0.259 0.000 2.916 101 F HA 0.175 4.702 4.527 0.000 0.000 0.294 101 F C 1.773 177.004 175.800 -0.950 0.000 1.189 101 F CA -0.409 57.314 58.000 -0.463 0.000 1.369 101 F CB 0.508 39.327 39.000 -0.303 0.000 0.961 101 F HN 0.259 nan 8.300 nan 0.000 0.508 102 E N -0.166 119.753 120.200 -0.468 0.000 2.112 102 E HA -0.088 4.262 4.350 0.000 0.000 0.190 102 E C 1.833 178.387 176.600 -0.077 0.000 0.979 102 E CA 1.087 57.319 56.400 -0.279 0.000 0.814 102 E CB -0.334 29.318 29.700 -0.080 0.000 0.762 102 E HN 0.325 nan 8.360 nan 0.000 0.460 103 S N 0.659 116.297 115.700 -0.103 0.000 2.685 103 S HA 0.183 4.653 4.470 0.000 0.000 0.240 103 S C 1.608 176.203 174.600 -0.009 0.000 0.967 103 S CA -0.254 57.926 58.200 -0.033 0.000 1.009 103 S CB -0.242 62.924 63.200 -0.056 0.000 0.776 103 S HN 0.104 nan 8.310 nan 0.000 0.467 104 L N 1.669 122.913 121.223 0.035 0.000 2.012 104 L HA -0.159 4.181 4.340 0.000 0.000 0.210 104 L C 2.618 179.568 176.870 0.134 0.000 1.073 104 L CA 1.623 56.545 54.840 0.136 0.000 0.748 104 L CB -0.537 41.721 42.059 0.332 0.000 0.891 104 L HN 0.462 nan 8.230 nan 0.000 0.431 105 N N 0.162 118.952 118.700 0.149 0.000 2.364 105 N HA -0.185 4.555 4.740 0.000 0.000 0.183 105 N C 0.913 176.462 175.510 0.065 0.000 1.022 105 N CA 1.223 54.338 53.050 0.108 0.000 0.883 105 N CB -0.082 38.470 38.487 0.108 0.000 0.965 105 N HN 0.426 nan 8.380 nan 0.000 0.438 106 D N -0.064 120.365 120.400 0.048 0.000 2.340 106 D HA 0.029 4.669 4.640 0.000 0.000 0.220 106 D C 0.071 176.380 176.300 0.014 0.000 1.039 106 D CA 0.036 54.050 54.000 0.025 0.000 0.866 106 D CB 0.476 41.283 40.800 0.012 0.000 0.913 106 D HN -0.020 nan 8.370 nan 0.000 0.523 107 V N 4.045 123.972 119.914 0.022 0.000 2.450 107 V HA 0.022 4.142 4.120 0.000 0.000 0.281 107 V C -1.059 175.040 176.094 0.009 0.000 1.019 107 V CA -0.544 61.763 62.300 0.012 0.000 1.062 107 V CB 1.001 32.841 31.823 0.029 0.000 0.979 107 V HN 0.062 nan 8.190 nan 0.000 0.477 108 P HA 0.077 nan 4.420 nan 0.000 0.253 108 P C -0.176 177.106 177.300 -0.031 0.000 1.281 108 P CA 0.466 63.558 63.100 -0.014 0.000 0.792 108 P CB 0.232 31.924 31.700 -0.014 0.000 1.193 109 V N -3.730 116.162 119.914 -0.037 0.000 3.078 109 V HA 0.486 4.606 4.120 0.000 0.000 0.311 109 V C 0.026 176.042 176.094 -0.130 0.000 1.138 109 V CA -1.699 60.549 62.300 -0.087 0.000 1.007 109 V CB 2.074 33.855 31.823 -0.070 0.000 1.045 109 V HN -0.245 nan 8.190 nan 0.000 0.432 110 I N 2.003 122.404 120.570 -0.282 0.000 2.710 110 I HA 0.259 4.429 4.170 0.000 0.000 0.286 110 I C -0.206 175.676 176.117 -0.391 0.000 1.181 110 I CA 0.146 61.237 61.300 -0.348 0.000 1.430 110 I CB 1.180 38.883 38.000 -0.496 0.000 1.367 110 I HN 0.451 nan 8.210 nan 0.000 0.577 111 V N 5.536 125.438 119.914 -0.020 0.000 2.555 111 V HA 0.298 4.418 4.120 0.000 0.000 0.302 111 V C 0.061 176.405 176.094 0.417 0.000 1.038 111 V CA -0.466 61.977 62.300 0.239 0.000 0.887 111 V CB 1.783 33.759 31.823 0.255 0.000 0.991 111 V HN 0.736 nan 8.190 nan 0.000 0.434 112 S N 4.525 120.572 115.700 0.579 0.000 2.565 112 S HA 0.745 5.215 4.470 0.000 0.000 0.290 112 S C -0.460 174.326 174.600 0.310 0.000 1.150 112 S CA -0.409 58.059 58.200 0.447 0.000 1.058 112 S CB 0.934 64.445 63.200 0.517 0.000 1.032 112 S HN 0.545 nan 8.310 nan 0.000 0.510 113 I N 3.204 123.839 120.570 0.108 0.000 2.503 113 I HA 0.306 4.476 4.170 0.000 0.000 0.282 113 I C -1.550 174.506 176.117 -0.102 0.000 1.059 113 I CA -0.294 61.075 61.300 0.116 0.000 1.081 113 I CB 1.041 39.158 38.000 0.196 0.000 1.210 113 I HN 0.455 nan 8.210 nan 0.000 0.450 114 F N 7.218 127.226 119.950 0.096 0.000 2.391 114 F HA 0.581 5.108 4.527 0.000 0.000 0.359 114 F C 0.095 175.914 175.800 0.032 0.000 1.122 114 F CA -0.656 57.383 58.000 0.065 0.000 1.120 114 F CB 1.298 40.382 39.000 0.141 0.000 1.142 114 F HN 0.285 nan 8.300 nan 0.000 0.483 115 I N 3.197 123.793 120.570 0.043 0.000 2.571 115 I HA 0.490 4.660 4.170 0.000 0.000 0.289 115 I C -0.710 175.335 176.117 -0.120 0.000 1.115 115 I CA -0.318 60.948 61.300 -0.058 0.000 1.045 115 I CB 1.447 39.318 38.000 -0.216 0.000 1.238 115 I HN 0.551 nan 8.210 nan 0.000 0.424 116 S N 4.049 119.726 115.700 -0.039 0.000 2.654 116 S HA 0.649 5.119 4.470 0.000 0.000 0.283 116 S C -0.138 174.466 174.600 0.006 0.000 1.180 116 S CA -0.551 57.642 58.200 -0.011 0.000 1.021 116 S CB 1.658 64.931 63.200 0.121 0.000 1.018 116 S HN 0.647 nan 8.310 nan 0.000 0.532 117 T N 1.737 116.251 114.554 -0.067 0.000 2.929 117 T HA 0.637 4.987 4.350 0.000 0.000 0.284 117 T C -1.223 173.333 174.700 -0.239 0.000 1.014 117 T CA -0.064 61.989 62.100 -0.078 0.000 1.051 117 T CB 0.401 69.192 68.868 -0.128 0.000 1.028 117 T HN 0.651 nan 8.240 nan 0.000 0.485 118 Y N -0.765 119.438 120.300 -0.160 0.000 3.071 118 Y HA 0.538 5.088 4.550 0.000 0.000 0.301 118 Y C 1.685 177.487 175.900 -0.164 0.000 1.657 118 Y CA -0.204 57.786 58.100 -0.183 0.000 1.078 118 Y CB 0.035 38.418 38.460 -0.127 0.000 1.465 118 Y HN 0.766 nan 8.280 nan 0.000 0.496 119 G N 1.173 110.006 108.800 0.054 0.000 3.130 119 G HA2 -0.332 3.628 3.960 0.000 0.000 0.309 119 G HA3 -0.332 3.628 3.960 0.000 0.000 0.309 119 G C -0.007 174.829 174.900 -0.107 0.000 1.284 119 G CA 1.817 46.914 45.100 -0.005 0.000 1.295 119 G HN 0.680 nan 8.290 nan 0.000 1.019 120 E N -0.064 119.971 120.200 -0.275 0.000 3.711 120 E HA 0.449 4.799 4.350 0.000 0.000 0.267 120 E C 0.559 176.523 176.600 -1.060 0.000 1.198 120 E CA 0.211 56.155 56.400 -0.760 0.000 1.150 120 E CB 0.304 29.541 29.700 -0.771 0.000 1.297 120 E HN 1.943 nan 8.360 nan 0.000 0.399 121 G N 1.300 109.812 108.800 -0.481 0.000 2.157 121 G HA2 -0.210 3.750 3.960 0.000 0.000 0.239 121 G HA3 -0.210 3.750 3.960 0.000 0.000 0.239 121 G C -0.091 174.799 174.900 -0.016 0.000 0.982 121 G CA -0.024 44.957 45.100 -0.197 0.000 0.650 121 G HN 0.410 nan 8.290 nan 0.000 0.527 122 D N -0.327 120.066 120.400 -0.012 0.000 2.361 122 D HA 0.523 5.163 4.640 0.000 0.000 0.239 122 D C 0.499 176.985 176.300 0.310 0.000 1.200 122 D CA 0.162 54.245 54.000 0.138 0.000 0.915 122 D CB 0.306 41.154 40.800 0.080 0.000 1.170 122 D HN -0.018 nan 8.370 nan 0.000 0.444 123 F N 0.350 120.302 119.950 0.004 0.000 2.397 123 F HA 0.327 4.854 4.527 0.000 0.000 0.331 123 F C -1.569 174.201 175.800 -0.049 0.000 1.090 123 F CA -2.435 55.575 58.000 0.017 0.000 1.065 123 F CB 0.554 39.566 39.000 0.020 0.000 1.184 123 F HN 0.009 nan 8.300 nan 0.000 0.499 124 P HA -0.022 nan 4.420 nan 0.000 0.267 124 P C -0.886 176.336 177.300 -0.129 0.000 1.201 124 P CA 0.138 63.054 63.100 -0.306 0.000 0.775 124 P CB 0.449 31.968 31.700 -0.301 0.000 0.854 125 D N 0.200 120.480 120.400 -0.200 0.000 2.368 125 D HA 0.330 4.970 4.640 0.000 0.000 0.240 125 D C 1.590 177.865 176.300 -0.042 0.000 1.169 125 D CA 1.615 55.565 54.000 -0.083 0.000 0.906 125 D CB -0.019 40.730 40.800 -0.085 0.000 1.187 125 D HN 0.599 nan 8.370 nan 0.000 0.435 126 G N 0.534 109.334 108.800 0.000 0.000 2.417 126 G HA2 -0.307 3.653 3.960 0.000 0.000 0.233 126 G HA3 -0.307 3.653 3.960 0.000 0.000 0.233 126 G C 0.871 175.794 174.900 0.039 0.000 1.103 126 G CA 0.374 45.484 45.100 0.017 0.000 0.647 126 G HN 0.814 nan 8.290 nan 0.000 0.512 127 A N 0.339 123.192 122.820 0.055 0.000 2.640 127 A HA 0.713 5.033 4.320 0.000 0.000 0.282 127 A C 1.877 179.560 177.584 0.165 0.000 1.357 127 A CA 1.150 53.253 52.037 0.109 0.000 0.946 127 A CB 0.040 19.112 19.000 0.120 0.000 1.065 127 A HN 0.963 nan 8.150 nan 0.000 0.541 128 V N 0.433 120.401 119.914 0.089 0.000 2.548 128 V HA -0.215 3.905 4.120 0.000 0.000 0.249 128 V C 2.212 178.321 176.094 0.024 0.000 1.055 128 V CA 1.811 64.131 62.300 0.034 0.000 1.065 128 V CB -0.783 31.045 31.823 0.008 0.000 0.681 128 V HN 0.678 nan 8.190 nan 0.000 0.462 129 N N 0.353 119.100 118.700 0.079 0.000 2.018 129 N HA -0.243 4.497 4.740 0.000 0.000 0.196 129 N C 1.910 177.514 175.510 0.158 0.000 1.043 129 N CA 1.971 55.086 53.050 0.109 0.000 0.856 129 N CB -0.481 38.089 38.487 0.138 0.000 1.042 129 N HN 0.433 nan 8.380 nan 0.000 0.423 130 F N 2.391 122.323 119.950 -0.029 0.000 2.043 130 F HA -0.262 4.265 4.527 0.000 0.000 0.297 130 F C 2.640 178.393 175.800 -0.077 0.000 1.118 130 F CA 1.864 59.801 58.000 -0.105 0.000 1.202 130 F CB -0.818 38.051 39.000 -0.219 0.000 0.965 130 F HN 0.166 nan 8.300 nan 0.000 0.482 131 E N 0.009 120.111 120.200 -0.164 0.000 2.055 131 E HA -0.300 4.050 4.350 0.000 0.000 0.209 131 E C 2.034 178.317 176.600 -0.528 0.000 1.036 131 E CA 2.070 57.963 56.400 -0.845 0.000 0.849 131 E CB -0.384 28.750 29.700 -0.943 0.000 0.767 131 E HN 0.466 nan 8.360 nan 0.000 0.461 132 D N 0.008 120.244 120.400 -0.274 0.000 2.137 132 D HA -0.216 4.424 4.640 0.000 0.000 0.189 132 D C 1.782 177.982 176.300 -0.166 0.000 0.998 132 D CA 1.309 55.196 54.000 -0.188 0.000 0.839 132 D CB -0.802 39.956 40.800 -0.070 0.000 0.962 132 D HN 0.201 nan 8.370 nan 0.000 0.446 133 F N 1.751 121.587 119.950 -0.190 0.000 2.025 133 F HA -0.285 4.242 4.527 0.000 0.000 0.297 133 F C 2.519 178.170 175.800 -0.249 0.000 1.171 133 F CA 1.519 59.427 58.000 -0.154 0.000 1.204 133 F CB -0.806 38.162 39.000 -0.053 0.000 0.948 133 F HN -0.117 nan 8.300 nan 0.000 0.512 134 I N -0.437 119.931 120.570 -0.337 0.000 2.145 134 I HA -0.451 3.719 4.170 0.000 0.000 0.244 134 I C 2.572 178.395 176.117 -0.491 0.000 1.075 134 I CA 1.739 62.768 61.300 -0.452 0.000 1.332 134 I CB -0.970 36.743 38.000 -0.478 0.000 1.033 134 I HN 0.327 nan 8.210 nan 0.000 0.410 135 C N 0.741 119.720 119.300 -0.535 0.000 2.422 135 C HA -0.105 4.355 4.460 0.000 0.000 0.286 135 C C 2.428 176.931 174.990 -0.813 0.000 1.412 135 C CA 0.812 59.334 59.018 -0.827 0.000 1.786 135 C CB -1.574 25.846 27.740 -0.533 0.000 1.835 135 C HN 0.559 nan 8.230 nan 0.000 0.533 136 N N 0.951 119.322 118.700 -0.549 0.000 2.513 136 N HA 0.135 4.875 4.740 0.000 0.000 0.196 136 N C 0.927 176.194 175.510 -0.404 0.000 1.041 136 N CA 0.739 53.537 53.050 -0.421 0.000 0.916 136 N CB -0.939 37.363 38.487 -0.307 0.000 1.172 136 N HN 0.325 nan 8.380 nan 0.000 0.444 137 A N 2.163 124.667 122.820 -0.527 0.000 2.591 137 A HA -0.126 4.194 4.320 0.000 0.000 0.265 137 A C 0.103 177.523 177.584 -0.274 0.000 0.946 137 A CA 0.592 52.351 52.037 -0.463 0.000 0.928 137 A CB -0.390 18.253 19.000 -0.595 0.000 0.816 137 A HN 0.320 nan 8.150 nan 0.000 0.466 138 E N 1.866 121.952 120.200 -0.191 0.000 2.385 138 E HA 0.562 4.912 4.350 0.000 0.000 0.254 138 E C 0.918 177.466 176.600 -0.086 0.000 1.228 138 E CA 0.096 56.423 56.400 -0.121 0.000 0.956 138 E CB 0.223 29.868 29.700 -0.091 0.000 1.116 138 E HN 1.070 nan 8.360 nan 0.000 0.507 139 A N 0.540 123.327 122.820 -0.055 0.000 2.632 139 A HA 0.267 4.587 4.320 0.000 0.000 0.229 139 A C 1.618 179.183 177.584 -0.031 0.000 1.047 139 A CA 0.859 52.875 52.037 -0.035 0.000 0.754 139 A CB -1.208 17.779 19.000 -0.023 0.000 0.969 139 A HN 1.017 nan 8.150 nan 0.000 0.509 140 G N 1.004 109.792 108.800 -0.019 0.000 2.317 140 G HA2 -0.176 3.784 3.960 0.000 0.000 0.265 140 G HA3 -0.176 3.784 3.960 0.000 0.000 0.265 140 G C 1.550 176.442 174.900 -0.013 0.000 0.983 140 G CA 1.993 47.088 45.100 -0.009 0.000 0.641 140 G HN 2.267 nan 8.290 nan 0.000 0.556 141 A N -0.398 122.402 122.820 -0.034 0.000 1.985 141 A HA 0.027 4.347 4.320 0.000 0.000 0.223 141 A C 1.882 179.461 177.584 -0.008 0.000 1.189 141 A CA 1.985 53.999 52.037 -0.040 0.000 0.658 141 A CB -0.239 18.699 19.000 -0.103 0.000 0.820 141 A HN 1.067 nan 8.150 nan 0.000 0.464 142 L N 0.276 121.495 121.223 -0.007 0.000 3.141 142 L HA 0.105 4.445 4.340 0.000 0.000 0.263 142 L C 1.817 178.710 176.870 0.038 0.000 1.312 142 L CA 0.333 55.190 54.840 0.028 0.000 1.012 142 L CB 0.423 42.492 42.059 0.015 0.000 1.408 142 L HN 0.499 nan 8.230 nan 0.000 0.559 143 S N -0.769 114.950 115.700 0.032 0.000 2.380 143 S HA -0.230 4.240 4.470 0.000 0.000 0.229 143 S C 1.444 176.071 174.600 0.046 0.000 1.043 143 S CA 1.800 60.021 58.200 0.035 0.000 1.038 143 S CB -0.303 62.912 63.200 0.025 0.000 0.872 143 S HN 0.543 nan 8.310 nan 0.000 0.456 144 N N 1.326 120.055 118.700 0.047 0.000 2.521 144 N HA 0.231 4.971 4.740 0.000 0.000 0.188 144 N C -0.346 175.203 175.510 0.065 0.000 1.146 144 N CA 0.085 53.164 53.050 0.047 0.000 0.893 144 N CB -0.336 38.175 38.487 0.040 0.000 0.975 144 N HN 0.404 nan 8.380 nan 0.000 0.451 145 L N 1.388 122.664 121.223 0.088 0.000 2.260 145 L HA 0.298 4.638 4.340 0.000 0.000 0.289 145 L C -0.299 176.693 176.870 0.203 0.000 1.057 145 L CA -0.408 54.509 54.840 0.129 0.000 0.811 145 L CB 0.339 42.467 42.059 0.114 0.000 1.184 145 L HN -0.059 nan 8.230 nan 0.000 0.429 146 R N 5.585 126.184 120.500 0.165 0.000 2.294 146 R HA 0.600 4.941 4.340 0.000 0.000 0.319 146 R C -1.431 175.000 176.300 0.218 0.000 0.984 146 R CA -0.483 55.700 56.100 0.138 0.000 0.861 146 R CB 1.292 31.606 30.300 0.024 0.000 1.104 146 R HN 0.654 nan 8.270 nan 0.000 0.451 147 Y N -0.221 120.103 120.300 0.040 0.000 2.609 147 Y HA 0.533 5.083 4.550 0.000 0.000 0.336 147 Y C -1.724 174.236 175.900 0.101 0.000 1.129 147 Y CA -1.879 56.268 58.100 0.079 0.000 1.040 147 Y CB 1.187 39.708 38.460 0.102 0.000 1.310 147 Y HN 0.647 nan 8.280 nan 0.000 0.460 148 N N 2.194 120.909 118.700 0.025 0.000 2.321 148 N HA 0.738 5.478 4.740 0.000 0.000 0.290 148 N C -1.632 174.017 175.510 0.232 0.000 1.212 148 N CA -0.944 52.127 53.050 0.035 0.000 0.767 148 N CB 2.790 41.363 38.487 0.144 0.000 1.494 148 N HN 1.055 nan 8.380 nan 0.000 0.479 149 M N 0.833 120.577 119.600 0.239 0.000 2.484 149 M HA 0.584 5.064 4.480 0.000 0.000 0.289 149 M C -2.109 173.834 176.300 -0.596 0.000 1.206 149 M CA -0.882 54.385 55.300 -0.054 0.000 0.892 149 M CB 2.046 34.678 32.600 0.054 0.000 1.712 149 M HN 0.673 nan 8.290 nan 0.000 0.462 150 F N 2.245 121.458 119.950 -1.228 0.000 2.539 150 F HA 0.761 5.288 4.527 0.000 0.000 0.328 150 F C -0.482 174.896 175.800 -0.704 0.000 1.148 150 F CA -0.502 56.601 58.000 -1.494 0.000 0.940 150 F CB 1.707 39.428 39.000 -2.132 0.000 1.194 150 F HN 0.526 nan 8.300 nan 0.000 0.438 151 G N 6.621 114.854 108.800 -0.946 0.000 2.422 151 G HA2 0.575 4.535 3.960 0.000 0.000 0.317 151 G HA3 0.575 4.535 3.960 0.000 0.000 0.317 151 G C -1.714 172.765 174.900 -0.700 0.000 1.210 151 G CA -0.634 44.080 45.100 -0.644 0.000 0.930 151 G HN 0.500 nan 8.290 nan 0.000 0.468 152 L N 2.361 123.319 121.223 -0.441 0.000 2.275 152 L HA 0.797 5.137 4.340 0.000 0.000 0.288 152 L C 0.848 177.633 176.870 -0.141 0.000 1.046 152 L CA 0.014 54.685 54.840 -0.282 0.000 0.805 152 L CB 1.412 43.413 42.059 -0.097 0.000 1.193 152 L HN 0.666 nan 8.230 nan 0.000 0.426 153 G N 1.469 110.251 108.800 -0.031 0.000 2.721 153 G HA2 0.383 4.343 3.960 0.000 0.000 0.296 153 G HA3 0.383 4.343 3.960 0.000 0.000 0.296 153 G C -1.759 173.231 174.900 0.149 0.000 1.383 153 G CA -0.486 44.658 45.100 0.074 0.000 0.788 153 G HN 0.424 nan 8.290 nan 0.000 0.500 154 N N -0.234 118.516 118.700 0.084 0.000 2.549 154 N HA 0.166 4.906 4.740 0.000 0.000 0.281 154 N C 1.371 176.722 175.510 -0.265 0.000 1.084 154 N CA 0.229 53.252 53.050 -0.045 0.000 0.862 154 N CB 1.965 40.543 38.487 0.152 0.000 1.333 154 N HN 0.494 nan 8.380 nan 0.000 0.523 155 S N 1.787 116.872 115.700 -1.025 0.000 2.441 155 S HA -0.180 4.290 4.470 0.000 0.000 0.242 155 S C 1.616 175.982 174.600 -0.389 0.000 1.018 155 S CA 1.662 59.157 58.200 -1.175 0.000 0.988 155 S CB -0.396 62.054 63.200 -1.251 0.000 0.778 155 S HN 0.548 nan 8.310 nan 0.000 0.498 156 T N 0.978 115.381 114.554 -0.252 0.000 2.759 156 T HA -0.001 4.349 4.350 0.000 0.000 0.269 156 T C 0.228 174.817 174.700 -0.185 0.000 1.042 156 T CA 1.127 63.093 62.100 -0.223 0.000 1.140 156 T CB -0.434 68.263 68.868 -0.284 0.000 0.864 156 T HN 0.571 nan 8.240 nan 0.000 0.455 157 Y N 1.420 121.642 120.300 -0.129 0.000 2.298 157 Y HA 0.351 4.901 4.550 0.000 0.000 0.329 157 Y C 0.989 176.880 175.900 -0.015 0.000 1.293 157 Y CA -1.023 57.044 58.100 -0.054 0.000 1.388 157 Y CB 0.390 38.837 38.460 -0.021 0.000 1.309 157 Y HN -0.088 nan 8.280 nan 0.000 0.544 158 E N 0.528 120.846 120.200 0.197 0.000 2.349 158 E HA 0.184 4.534 4.350 0.000 0.000 0.262 158 E C -0.698 176.037 176.600 0.225 0.000 1.088 158 E CA -0.381 56.046 56.400 0.046 0.000 0.899 158 E CB 0.280 29.925 29.700 -0.092 0.000 1.044 158 E HN 0.614 nan 8.360 nan 0.000 0.420 159 F N -0.030 119.960 119.950 0.067 0.000 3.006 159 F HA -0.221 4.306 4.527 0.000 0.000 0.318 159 F C 0.319 176.181 175.800 0.104 0.000 0.936 159 F CA 0.013 58.044 58.000 0.051 0.000 1.151 159 F CB -1.958 37.053 39.000 0.018 0.000 1.212 159 F HN 0.426 nan 8.300 nan 0.000 0.687 160 F N 3.299 123.272 119.950 0.039 0.000 2.504 160 F HA 0.130 4.657 4.527 0.000 0.000 0.365 160 F C 1.356 177.134 175.800 -0.035 0.000 1.140 160 F CA 0.915 58.915 58.000 -0.001 0.000 1.077 160 F CB -0.122 38.863 39.000 -0.025 0.000 1.106 160 F HN 0.465 nan 8.300 nan 0.000 0.578 161 N N 3.378 122.114 118.700 0.059 0.000 2.818 161 N HA -0.180 4.560 4.740 0.000 0.000 0.250 161 N C 1.227 176.647 175.510 -0.149 0.000 1.108 161 N CA 0.256 53.174 53.050 -0.220 0.000 0.745 161 N CB -1.153 36.964 38.487 -0.616 0.000 1.104 161 N HN 0.881 nan 8.380 nan 0.000 0.557 162 G N -0.067 108.732 108.800 -0.002 0.000 2.450 162 G HA2 -0.118 3.842 3.960 0.000 0.000 0.220 162 G HA3 -0.118 3.842 3.960 0.000 0.000 0.220 162 G C 1.507 176.409 174.900 0.004 0.000 1.130 162 G CA 1.404 46.540 45.100 0.060 0.000 0.760 162 G HN 0.633 nan 8.290 nan 0.000 0.557 163 A N 1.470 124.251 122.820 -0.064 0.000 1.834 163 A HA 0.179 4.499 4.320 0.000 0.000 0.216 163 A C 2.902 180.351 177.584 -0.225 0.000 1.203 163 A CA 2.801 54.740 52.037 -0.163 0.000 0.621 163 A CB -1.248 17.539 19.000 -0.355 0.000 0.841 163 A HN 0.950 nan 8.150 nan 0.000 0.446 164 A N -0.463 122.192 122.820 -0.275 0.000 1.859 164 A HA -0.254 4.066 4.320 0.000 0.000 0.217 164 A C 2.120 179.620 177.584 -0.140 0.000 1.198 164 A CA 2.238 54.135 52.037 -0.233 0.000 0.629 164 A CB -0.703 18.131 19.000 -0.278 0.000 0.830 164 A HN 0.570 nan 8.150 nan 0.000 0.446 165 K N -0.576 119.738 120.400 -0.143 0.000 2.034 165 K HA -0.248 4.072 4.320 0.000 0.000 0.214 165 K C 2.333 178.889 176.600 -0.073 0.000 1.051 165 K CA 1.965 58.187 56.287 -0.108 0.000 0.931 165 K CB -0.224 32.214 32.500 -0.103 0.000 0.715 165 K HN 0.492 nan 8.250 nan 0.000 0.446 166 K N 0.681 121.064 120.400 -0.029 0.000 1.985 166 K HA -0.179 4.141 4.320 0.000 0.000 0.210 166 K C 2.183 178.758 176.600 -0.041 0.000 1.047 166 K CA 1.401 57.666 56.287 -0.038 0.000 0.932 166 K CB -0.251 32.309 32.500 0.101 0.000 0.716 166 K HN 0.147 nan 8.250 nan 0.000 0.439 167 A N 2.247 125.147 122.820 0.133 0.000 1.882 167 A HA -0.296 4.024 4.320 0.000 0.000 0.220 167 A C 2.077 179.665 177.584 0.006 0.000 1.253 167 A CA 2.342 54.477 52.037 0.163 0.000 0.664 167 A CB -1.116 17.951 19.000 0.113 0.000 0.838 167 A HN 0.631 nan 8.150 nan 0.000 0.460 168 E N 0.173 120.367 120.200 -0.010 0.000 2.147 168 E HA -0.288 4.062 4.350 0.000 0.000 0.199 168 E C 2.056 178.647 176.600 -0.015 0.000 1.005 168 E CA 1.995 58.410 56.400 0.026 0.000 0.810 168 E CB -0.272 29.457 29.700 0.049 0.000 0.736 168 E HN 0.722 nan 8.360 nan 0.000 0.460 169 K N -0.657 119.682 120.400 -0.103 0.000 2.097 169 K HA -0.180 4.140 4.320 0.000 0.000 0.206 169 K C 2.061 178.563 176.600 -0.163 0.000 1.049 169 K CA 1.415 57.602 56.287 -0.166 0.000 0.933 169 K CB -0.180 32.146 32.500 -0.289 0.000 0.717 169 K HN 0.226 nan 8.250 nan 0.000 0.442 170 H N 0.504 119.539 119.070 -0.059 0.000 2.403 170 H HA 0.010 4.566 4.556 0.000 0.000 0.298 170 H C 2.159 177.412 175.328 -0.125 0.000 1.059 170 H CA 0.958 56.944 56.048 -0.103 0.000 1.363 170 H CB -0.051 29.624 29.762 -0.144 0.000 1.410 170 H HN 0.171 nan 8.280 nan 0.000 0.528 171 L N -0.039 121.164 121.223 -0.034 0.000 2.201 171 L HA -0.140 4.200 4.340 0.000 0.000 0.212 171 L C 2.660 179.504 176.870 -0.043 0.000 1.105 171 L CA 0.894 55.645 54.840 -0.149 0.000 0.775 171 L CB -0.180 41.630 42.059 -0.415 0.000 0.913 171 L HN 0.179 nan 8.230 nan 0.000 0.440 172 S N -0.338 115.376 115.700 0.024 0.000 2.345 172 S HA -0.115 4.355 4.470 0.000 0.000 0.219 172 S C 2.140 176.759 174.600 0.031 0.000 1.031 172 S CA 1.122 59.361 58.200 0.064 0.000 0.984 172 S CB -0.027 63.204 63.200 0.053 0.000 0.874 172 S HN 0.423 nan 8.310 nan 0.000 0.451 173 A N 1.307 124.136 122.820 0.015 0.000 1.930 173 A HA 0.280 4.600 4.320 0.000 0.000 0.217 173 A C 2.259 179.839 177.584 -0.006 0.000 1.175 173 A CA 1.580 53.623 52.037 0.010 0.000 0.627 173 A CB -1.204 17.811 19.000 0.024 0.000 0.815 173 A HN 0.794 nan 8.150 nan 0.000 0.443 174 A N -1.373 121.433 122.820 -0.022 0.000 2.259 174 A HA 0.329 4.649 4.320 0.000 0.000 0.212 174 A C 1.889 179.459 177.584 -0.023 0.000 1.178 174 A CA 1.369 53.374 52.037 -0.053 0.000 0.734 174 A CB -1.334 17.608 19.000 -0.097 0.000 0.774 174 A HN 1.942 nan 8.150 nan 0.000 0.481 175 G N -2.455 106.347 108.800 0.003 0.000 2.162 175 G HA2 0.036 3.996 3.960 0.000 0.000 0.260 175 G HA3 0.036 3.996 3.960 0.000 0.000 0.260 175 G C 0.448 175.378 174.900 0.050 0.000 0.976 175 G CA 0.549 45.662 45.100 0.022 0.000 0.655 175 G HN 1.648 nan 8.290 nan 0.000 0.533 176 A N -0.585 122.273 122.820 0.064 0.000 2.287 176 A HA 0.800 5.120 4.320 0.000 0.000 0.273 176 A C 0.311 178.051 177.584 0.260 0.000 1.091 176 A CA -0.239 51.880 52.037 0.136 0.000 0.817 176 A CB 0.599 19.631 19.000 0.053 0.000 1.069 176 A HN 0.768 nan 8.150 nan 0.000 0.492 177 I N 0.987 121.742 120.570 0.310 0.000 2.362 177 I HA 0.334 4.504 4.170 0.000 0.000 0.289 177 I C 0.534 176.640 176.117 -0.019 0.000 0.994 177 I CA -0.362 61.045 61.300 0.179 0.000 1.158 177 I CB 1.461 39.504 38.000 0.071 0.000 1.315 177 I HN 0.777 nan 8.210 nan 0.000 0.451 178 R N 5.221 125.570 120.500 -0.252 0.000 2.490 178 R HA 0.422 4.762 4.340 0.000 0.000 0.278 178 R C -0.048 176.028 176.300 -0.372 0.000 1.069 178 R CA -0.172 55.456 56.100 -0.787 0.000 1.080 178 R CB 0.953 30.999 30.300 -0.424 0.000 1.030 178 R HN 0.685 nan 8.270 nan 0.000 0.491 179 L N 2.078 123.093 121.223 -0.345 0.000 2.370 179 L HA 0.350 4.690 4.340 0.000 0.000 0.191 179 L C 1.484 178.291 176.870 -0.104 0.000 1.203 179 L CA 0.649 55.391 54.840 -0.163 0.000 0.825 179 L CB -0.513 41.474 42.059 -0.119 0.000 1.048 179 L HN 0.832 nan 8.230 nan 0.000 0.487 180 G N -0.424 108.329 108.800 -0.077 0.000 2.531 180 G HA2 0.231 4.191 3.960 0.000 0.000 0.253 180 G HA3 0.231 4.191 3.960 0.000 0.000 0.253 180 G C -0.450 174.460 174.900 0.016 0.000 1.439 180 G CA -0.516 44.555 45.100 -0.048 0.000 1.056 180 G HN -0.010 nan 8.290 nan 0.000 0.555 181 K N -1.004 119.436 120.400 0.067 0.000 2.120 181 K HA 0.316 4.636 4.320 0.000 0.000 0.245 181 K C -0.661 176.071 176.600 0.220 0.000 1.024 181 K CA -0.566 55.786 56.287 0.108 0.000 0.906 181 K CB 1.126 33.688 32.500 0.102 0.000 1.051 181 K HN 0.179 nan 8.250 nan 0.000 0.491 182 L N 0.841 122.127 121.223 0.105 0.000 2.305 182 L HA 0.301 4.641 4.340 0.000 0.000 0.281 182 L C -0.017 176.825 176.870 -0.047 0.000 1.085 182 L CA 0.388 55.243 54.840 0.025 0.000 0.813 182 L CB 0.954 42.978 42.059 -0.058 0.000 1.157 182 L HN 0.663 nan 8.230 nan 0.000 0.436 183 G N 3.700 112.311 108.800 -0.316 0.000 2.400 183 G HA2 0.527 4.487 3.960 0.000 0.000 0.301 183 G HA3 0.527 4.487 3.960 0.000 0.000 0.301 183 G C -0.979 173.558 174.900 -0.605 0.000 1.154 183 G CA -0.415 44.418 45.100 -0.445 0.000 0.852 183 G HN 0.692 nan 8.290 nan 0.000 0.511 184 E N 0.749 120.666 120.200 -0.471 0.000 2.460 184 E HA 0.410 4.760 4.350 0.000 0.000 0.249 184 E C -0.330 176.084 176.600 -0.309 0.000 0.962 184 E CA -0.600 55.510 56.400 -0.483 0.000 0.787 184 E CB 1.715 31.149 29.700 -0.444 0.000 1.341 184 E HN 0.607 nan 8.360 nan 0.000 0.407 185 A N 2.584 125.132 122.820 -0.454 0.000 2.409 185 A HA 0.213 4.533 4.320 0.000 0.000 0.262 185 A C -0.201 177.411 177.584 0.046 0.000 1.113 185 A CA -0.252 51.691 52.037 -0.156 0.000 0.790 185 A CB 0.475 19.357 19.000 -0.197 0.000 1.046 185 A HN 0.446 nan 8.150 nan 0.000 0.496 186 D N 1.628 122.101 120.400 0.123 0.000 2.460 186 D HA 0.252 4.892 4.640 0.000 0.000 0.232 186 D C 0.140 176.458 176.300 0.031 0.000 1.079 186 D CA -0.175 53.894 54.000 0.115 0.000 0.864 186 D CB 1.212 42.059 40.800 0.077 0.000 1.048 186 D HN 0.552 nan 8.370 nan 0.000 0.523 187 D N 1.538 121.954 120.400 0.027 0.000 2.348 187 D HA 0.027 4.667 4.640 0.000 0.000 0.216 187 D C 1.955 178.256 176.300 0.001 0.000 0.970 187 D CA 0.831 54.851 54.000 0.034 0.000 0.889 187 D CB 0.340 41.171 40.800 0.051 0.000 0.912 187 D HN 0.585 nan 8.370 nan 0.000 0.524 188 G N 0.241 109.004 108.800 -0.062 0.000 2.404 188 G HA2 -0.142 3.818 3.960 0.000 0.000 0.215 188 G HA3 -0.142 3.818 3.960 0.000 0.000 0.215 188 G C 1.301 176.154 174.900 -0.077 0.000 1.174 188 G CA 0.626 45.665 45.100 -0.101 0.000 0.780 188 G HN 0.311 nan 8.290 nan 0.000 0.537 189 A N 0.177 122.955 122.820 -0.071 0.000 2.411 189 A HA 0.517 4.837 4.320 0.000 0.000 0.251 189 A C 1.681 179.263 177.584 -0.005 0.000 1.317 189 A CA 0.881 52.895 52.037 -0.039 0.000 0.904 189 A CB -0.766 18.213 19.000 -0.035 0.000 0.993 189 A HN 1.550 nan 8.150 nan 0.000 0.504 190 G N 0.309 109.113 108.800 0.007 0.000 2.395 190 G HA2 -0.309 3.651 3.960 0.000 0.000 0.300 190 G HA3 -0.309 3.651 3.960 0.000 0.000 0.300 190 G C 0.741 175.669 174.900 0.046 0.000 0.998 190 G CA 1.306 46.423 45.100 0.029 0.000 1.046 190 G HN 1.289 nan 8.290 nan 0.000 0.513 191 T N -5.042 109.548 114.554 0.060 0.000 2.985 191 T HA 0.135 4.485 4.350 0.000 0.000 0.254 191 T C 2.175 176.944 174.700 0.116 0.000 1.021 191 T CA 1.328 63.478 62.100 0.082 0.000 0.957 191 T CB -0.016 68.897 68.868 0.075 0.000 1.047 191 T HN 0.283 nan 8.240 nan 0.000 0.511 192 T N 2.620 117.241 114.554 0.112 0.000 2.656 192 T HA -0.294 4.056 4.350 0.000 0.000 0.262 192 T C 1.433 176.221 174.700 0.147 0.000 1.070 192 T CA 2.421 64.594 62.100 0.121 0.000 1.160 192 T CB -0.858 68.091 68.868 0.134 0.000 0.855 192 T HN 0.558 nan 8.240 nan 0.000 0.456 193 D N 0.312 120.843 120.400 0.218 0.000 2.077 193 D HA -0.088 4.552 4.640 0.000 0.000 0.196 193 D C 2.360 178.818 176.300 0.263 0.000 0.986 193 D CA 0.882 55.062 54.000 0.301 0.000 0.829 193 D CB -0.142 40.858 40.800 0.335 0.000 0.983 193 D HN 0.149 nan 8.370 nan 0.000 0.453 194 E N 0.540 120.862 120.200 0.203 0.000 2.171 194 E HA -0.167 4.183 4.350 0.000 0.000 0.197 194 E C 1.670 178.366 176.600 0.160 0.000 0.997 194 E CA 0.848 57.345 56.400 0.162 0.000 0.810 194 E CB -0.273 29.508 29.700 0.135 0.000 0.738 194 E HN 0.460 nan 8.360 nan 0.000 0.467 195 D N -0.423 120.092 120.400 0.191 0.000 2.084 195 D HA -0.169 4.471 4.640 0.000 0.000 0.194 195 D C 1.904 178.404 176.300 0.333 0.000 0.990 195 D CA 0.890 55.032 54.000 0.237 0.000 0.826 195 D CB -0.562 40.376 40.800 0.229 0.000 0.971 195 D HN 0.262 nan 8.370 nan 0.000 0.453 196 Y N 1.476 121.901 120.300 0.209 0.000 2.114 196 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 196 Y C 2.175 178.089 175.900 0.023 0.000 1.165 196 Y CA 1.613 59.664 58.100 -0.082 0.000 1.148 196 Y CB -0.331 37.862 38.460 -0.444 0.000 0.972 196 Y HN -0.161 nan 8.280 nan 0.000 0.504 197 M N 0.386 119.933 119.600 -0.088 0.000 2.144 197 M HA -0.240 4.240 4.480 0.000 0.000 0.260 197 M C 2.419 178.631 176.300 -0.147 0.000 1.067 197 M CA 1.782 56.981 55.300 -0.169 0.000 1.095 197 M CB -1.950 30.660 32.600 0.017 0.000 1.365 197 M HN 0.530 nan 8.290 nan 0.000 0.406 198 A N -1.116 121.694 122.820 -0.015 0.000 1.840 198 A HA -0.203 4.117 4.320 0.000 0.000 0.214 198 A C 2.029 179.624 177.584 0.018 0.000 1.198 198 A CA 1.366 53.416 52.037 0.023 0.000 0.608 198 A CB -1.408 17.648 19.000 0.094 0.000 0.839 198 A HN 0.652 nan 8.150 nan 0.000 0.443 199 W N 1.202 122.454 121.300 -0.080 0.000 2.350 199 W HA -0.183 4.477 4.660 0.000 0.000 0.289 199 W C 2.158 178.563 176.519 -0.190 0.000 1.215 199 W CA 2.179 59.481 57.345 -0.072 0.000 1.236 199 W CB 0.044 29.557 29.460 0.088 0.000 1.130 199 W HN 0.345 nan 8.180 nan 0.000 0.541 200 K N 0.289 120.472 120.400 -0.363 0.000 1.973 200 K HA -0.223 4.097 4.320 0.000 0.000 0.212 200 K C 1.768 178.175 176.600 -0.322 0.000 1.047 200 K CA 2.059 58.066 56.287 -0.466 0.000 0.937 200 K CB -0.806 31.295 32.500 -0.664 0.000 0.721 200 K HN -0.032 nan 8.250 nan 0.000 0.440 201 D N 0.619 120.881 120.400 -0.230 0.000 2.149 201 D HA -0.197 4.443 4.640 0.000 0.000 0.194 201 D C 2.065 178.273 176.300 -0.152 0.000 1.001 201 D CA 1.911 55.826 54.000 -0.141 0.000 0.849 201 D CB -0.242 40.501 40.800 -0.094 0.000 0.939 201 D HN 0.422 nan 8.370 nan 0.000 0.449 202 S N 0.665 116.242 115.700 -0.204 0.000 2.338 202 S HA -0.130 4.340 4.470 0.000 0.000 0.218 202 S C 2.188 176.633 174.600 -0.258 0.000 1.032 202 S CA 0.540 58.621 58.200 -0.198 0.000 0.999 202 S CB -0.449 62.639 63.200 -0.188 0.000 0.905 202 S HN 0.097 nan 8.310 nan 0.000 0.439 203 I N 2.127 122.414 120.570 -0.472 0.000 2.194 203 I HA -0.129 4.041 4.170 0.000 0.000 0.246 203 I C 2.545 178.544 176.117 -0.196 0.000 1.093 203 I CA 1.174 62.209 61.300 -0.440 0.000 1.355 203 I CB -1.315 36.160 38.000 -0.875 0.000 1.046 203 I HN 0.367 nan 8.210 nan 0.000 0.413 204 L N 0.063 121.198 121.223 -0.146 0.000 2.042 204 L HA -0.228 4.112 4.340 0.000 0.000 0.210 204 L C 2.622 179.479 176.870 -0.022 0.000 1.076 204 L CA 1.344 56.154 54.840 -0.050 0.000 0.749 204 L CB -0.441 41.623 42.059 0.008 0.000 0.893 204 L HN 0.266 nan 8.230 nan 0.000 0.432 205 E N -0.435 119.741 120.200 -0.040 0.000 2.072 205 E HA -0.162 4.188 4.350 0.000 0.000 0.191 205 E C 2.290 178.869 176.600 -0.035 0.000 0.985 205 E CA 1.098 57.487 56.400 -0.018 0.000 0.801 205 E CB -0.169 29.511 29.700 -0.034 0.000 0.750 205 E HN 0.305 nan 8.360 nan 0.000 0.452 206 V N 1.919 121.792 119.914 -0.067 0.000 2.233 206 V HA -0.278 3.842 4.120 0.000 0.000 0.247 206 V C 2.620 178.685 176.094 -0.049 0.000 1.050 206 V CA 1.631 63.894 62.300 -0.061 0.000 1.010 206 V CB -0.682 31.089 31.823 -0.086 0.000 0.637 206 V HN 0.217 nan 8.190 nan 0.000 0.444 207 L N -0.160 121.028 121.223 -0.058 0.000 2.043 207 L HA -0.295 4.045 4.340 0.000 0.000 0.212 207 L C 2.577 179.382 176.870 -0.108 0.000 1.075 207 L CA 2.249 57.051 54.840 -0.064 0.000 0.752 207 L CB -0.828 41.201 42.059 -0.049 0.000 0.891 207 L HN 0.347 nan 8.230 nan 0.000 0.432 208 K N 0.095 120.427 120.400 -0.113 0.000 2.127 208 K HA -0.244 4.076 4.320 0.000 0.000 0.208 208 K C 1.486 178.096 176.600 0.015 0.000 1.047 208 K CA 2.144 58.408 56.287 -0.038 0.000 0.927 208 K CB 0.022 32.579 32.500 0.095 0.000 0.716 208 K HN 0.332 nan 8.250 nan 0.000 0.450 209 D N 0.209 120.614 120.400 0.008 0.000 2.154 209 D HA -0.107 4.533 4.640 0.000 0.000 0.211 209 D C 1.797 178.162 176.300 0.109 0.000 0.977 209 D CA 0.644 54.659 54.000 0.026 0.000 0.869 209 D CB -0.455 40.343 40.800 -0.004 0.000 1.022 209 D HN 0.108 nan 8.370 nan 0.000 0.461 210 E N 0.154 120.385 120.200 0.053 0.000 2.236 210 E HA -0.170 4.180 4.350 0.000 0.000 0.205 210 E C 1.774 178.403 176.600 0.048 0.000 1.028 210 E CA 0.816 57.243 56.400 0.044 0.000 0.827 210 E CB -0.056 29.635 29.700 -0.015 0.000 0.735 210 E HN 0.360 nan 8.360 nan 0.000 0.470 211 L N -1.205 120.046 121.223 0.046 0.000 2.766 211 L HA 0.154 4.494 4.340 0.000 0.000 0.242 211 L C -0.153 176.777 176.870 0.100 0.000 1.136 211 L CA -0.141 54.700 54.840 0.001 0.000 0.933 211 L CB -0.034 41.992 42.059 -0.056 0.000 1.241 211 L HN 0.190 nan 8.230 nan 0.000 0.522 212 H N 0.646 119.704 119.070 -0.021 0.000 2.672 212 H HA -0.125 4.431 4.556 0.000 0.000 0.325 212 H C -0.141 175.202 175.328 0.026 0.000 1.158 212 H CA -0.310 55.741 56.048 0.004 0.000 1.134 212 H CB -1.462 28.302 29.762 0.003 0.000 1.553 212 H HN 0.288 nan 8.280 nan 0.000 0.419 213 L N 1.478 122.789 121.223 0.147 0.000 2.379 213 L HA 0.301 4.641 4.340 0.000 0.000 0.269 213 L C 0.644 177.658 176.870 0.240 0.000 1.084 213 L CA -0.505 54.446 54.840 0.185 0.000 0.802 213 L CB 0.987 43.119 42.059 0.120 0.000 1.175 213 L HN 0.196 nan 8.230 nan 0.000 0.448 214 D N 1.865 122.401 120.400 0.227 0.000 2.349 214 D HA 0.229 4.869 4.640 0.000 0.000 0.232 214 D C -0.281 176.058 176.300 0.065 0.000 1.071 214 D CA -0.317 53.759 54.000 0.127 0.000 0.832 214 D CB 1.621 42.462 40.800 0.068 0.000 1.086 214 D HN 0.437 nan 8.370 nan 0.000 0.504 215 E N 1.365 121.546 120.200 -0.032 0.000 2.383 215 E HA 0.121 4.471 4.350 0.000 0.000 0.264 215 E C 0.354 176.819 176.600 -0.226 0.000 1.050 215 E CA -0.079 56.139 56.400 -0.303 0.000 0.896 215 E CB 1.225 30.756 29.700 -0.281 0.000 0.982 215 E HN 0.483 nan 8.360 nan 0.000 0.424 216 Q N 1.367 120.988 119.800 -0.298 0.000 3.017 216 Q HA 0.398 4.738 4.340 0.000 0.000 0.299 216 Q C -0.810 175.077 176.000 -0.190 0.000 1.046 216 Q CA -0.933 54.759 55.803 -0.186 0.000 0.821 216 Q CB 1.157 29.804 28.738 -0.152 0.000 1.481 216 Q HN 0.389 nan 8.270 nan 0.000 0.494 217 E N 0.251 120.372 120.200 -0.132 0.000 2.200 217 E HA 0.447 4.797 4.350 0.000 0.000 0.283 217 E C -0.746 175.786 176.600 -0.113 0.000 1.015 217 E CA -0.478 55.853 56.400 -0.116 0.000 0.819 217 E CB 1.207 30.856 29.700 -0.086 0.000 1.081 217 E HN 0.662 nan 8.360 nan 0.000 0.397 218 A N 4.983 127.735 122.820 -0.113 0.000 2.608 218 A HA -0.048 4.272 4.320 0.000 0.000 0.239 218 A C -0.309 177.236 177.584 -0.066 0.000 1.018 218 A CA 0.952 52.937 52.037 -0.087 0.000 0.766 218 A CB 0.118 19.080 19.000 -0.063 0.000 0.928 218 A HN 0.666 nan 8.150 nan 0.000 0.512 219 K N 1.363 121.745 120.400 -0.031 0.000 2.587 219 K HA 0.262 4.582 4.320 0.000 0.000 0.256 219 K C -0.827 175.828 176.600 0.092 0.000 0.974 219 K CA -0.526 55.767 56.287 0.012 0.000 0.855 219 K CB 1.356 33.853 32.500 -0.005 0.000 1.292 219 K HN 0.623 nan 8.250 nan 0.000 0.444 220 F N 1.801 121.794 119.950 0.071 0.000 2.628 220 F HA 0.089 4.616 4.527 0.000 0.000 0.346 220 F C -0.103 175.777 175.800 0.134 0.000 1.188 220 F CA 1.187 59.300 58.000 0.187 0.000 1.376 220 F CB 0.749 40.008 39.000 0.430 0.000 1.104 220 F HN 0.363 nan 8.300 nan 0.000 0.616 221 T N 3.929 117.792 114.554 -1.152 0.000 3.293 221 T HA 0.182 4.532 4.350 0.000 0.000 0.320 221 T C -0.926 173.153 174.700 -1.035 0.000 0.995 221 T CA -0.676 61.010 62.100 -0.690 0.000 1.041 221 T CB 1.160 69.805 68.868 -0.371 0.000 1.058 221 T HN 0.703 nan 8.240 nan 0.000 0.453 222 S N 2.179 117.678 115.700 -0.335 0.000 2.548 222 S HA 0.123 4.593 4.470 0.000 0.000 0.277 222 S C 1.297 175.817 174.600 -0.133 0.000 1.315 222 S CA -0.465 57.733 58.200 -0.002 0.000 1.050 222 S CB 0.555 63.980 63.200 0.374 0.000 0.918 222 S HN 0.755 nan 8.310 nan 0.000 0.497 223 Q N 3.576 123.206 119.800 -0.284 0.000 2.320 223 Q HA 0.262 4.602 4.340 0.000 0.000 0.201 223 Q C -0.519 175.202 176.000 -0.465 0.000 0.910 223 Q CA 0.177 55.724 55.803 -0.428 0.000 0.946 223 Q CB -0.072 28.306 28.738 -0.600 0.000 1.062 223 Q HN 0.648 nan 8.270 nan 0.000 0.503 224 F N 0.313 120.299 119.950 0.061 0.000 2.740 224 F HA 0.391 4.918 4.527 0.000 0.000 0.357 224 F C -0.337 175.528 175.800 0.108 0.000 1.141 224 F CA -1.513 56.535 58.000 0.081 0.000 1.044 224 F CB 1.851 40.905 39.000 0.090 0.000 1.430 224 F HN -0.178 nan 8.300 nan 0.000 0.518 225 Q N 1.190 121.210 119.800 0.366 0.000 2.464 225 Q HA 0.233 4.573 4.340 0.000 0.000 0.256 225 Q C -1.951 174.200 176.000 0.252 0.000 1.020 225 Q CA -0.654 55.298 55.803 0.248 0.000 0.716 225 Q CB 0.885 29.726 28.738 0.172 0.000 1.230 225 Q HN 0.612 nan 8.270 nan 0.000 0.494 226 Y N 3.824 124.193 120.300 0.114 0.000 2.613 226 Y HA 0.271 4.821 4.550 0.000 0.000 0.354 226 Y C -0.754 175.183 175.900 0.062 0.000 1.063 226 Y CA -0.048 58.084 58.100 0.052 0.000 1.384 226 Y CB 0.483 38.937 38.460 -0.010 0.000 1.199 226 Y HN 0.477 nan 8.280 nan 0.000 0.517 227 T N 3.640 118.095 114.554 -0.164 0.000 2.977 227 T HA 0.427 4.777 4.350 0.000 0.000 0.346 227 T C -0.394 174.175 174.700 -0.218 0.000 1.140 227 T CA -0.801 61.188 62.100 -0.186 0.000 1.040 227 T CB -0.066 68.780 68.868 -0.037 0.000 1.046 227 T HN 0.309 nan 8.240 nan 0.000 0.494 228 V N 4.814 124.507 119.914 -0.369 0.000 2.843 228 V HA 0.054 4.174 4.120 0.000 0.000 0.305 228 V C 0.751 176.806 176.094 -0.066 0.000 1.120 228 V CA 0.396 62.573 62.300 -0.206 0.000 1.254 228 V CB -0.208 31.508 31.823 -0.178 0.000 0.901 228 V HN 0.767 nan 8.190 nan 0.000 0.503 229 L N 3.382 124.599 121.223 -0.009 0.000 2.464 229 L HA 0.597 4.938 4.340 0.000 0.000 0.264 229 L C 0.907 177.777 176.870 0.001 0.000 1.062 229 L CA -0.795 54.044 54.840 -0.002 0.000 0.935 229 L CB 1.097 43.160 42.059 0.006 0.000 1.603 229 L HN 0.605 nan 8.230 nan 0.000 0.528 230 N N -1.276 117.423 118.700 -0.001 0.000 2.354 230 N HA 0.067 4.807 4.740 0.000 0.000 0.253 230 N C -0.095 175.412 175.510 -0.005 0.000 1.096 230 N CA 0.043 53.092 53.050 -0.001 0.000 0.820 230 N CB 0.965 39.451 38.487 -0.001 0.000 1.610 230 N HN 0.456 nan 8.380 nan 0.000 0.501 231 E N 0.722 120.918 120.200 -0.006 0.000 2.816 231 E HA 0.292 4.642 4.350 0.000 0.000 0.260 231 E C -0.000 176.591 176.600 -0.015 0.000 1.414 231 E CA 0.177 56.572 56.400 -0.009 0.000 1.074 231 E CB 0.841 30.536 29.700 -0.007 0.000 1.123 231 E HN 0.064 nan 8.360 nan 0.000 0.664 232 I N 0.070 120.629 120.570 -0.018 0.000 2.944 232 I HA 0.077 4.247 4.170 0.000 0.000 0.330 232 I C -0.697 175.404 176.117 -0.027 0.000 1.482 232 I CA -0.146 61.138 61.300 -0.027 0.000 0.880 232 I CB 0.351 38.332 38.000 -0.031 0.000 1.728 232 I HN 0.270 nan 8.210 nan 0.000 0.561 233 T N 0.418 114.960 114.554 -0.020 0.000 2.856 233 T HA -0.133 4.217 4.350 0.000 0.000 0.327 233 T C 0.752 175.440 174.700 -0.020 0.000 1.061 233 T CA 0.807 62.897 62.100 -0.016 0.000 1.131 233 T CB 0.436 69.298 68.868 -0.010 0.000 1.083 233 T HN 0.252 nan 8.240 nan 0.000 0.518 234 D N 0.366 120.755 120.400 -0.017 0.000 2.319 234 D HA 0.122 4.762 4.640 0.000 0.000 0.230 234 D C 1.349 177.641 176.300 -0.013 0.000 1.094 234 D CA 0.220 54.208 54.000 -0.019 0.000 0.856 234 D CB 0.083 40.872 40.800 -0.018 0.000 0.915 234 D HN 0.354 nan 8.370 nan 0.000 0.517 235 S N -0.494 115.201 115.700 -0.009 0.000 2.548 235 S HA 0.162 4.632 4.470 0.000 0.000 0.215 235 S C 1.176 175.777 174.600 0.001 0.000 0.976 235 S CA 0.107 58.306 58.200 -0.002 0.000 0.908 235 S CB 0.342 63.543 63.200 0.002 0.000 0.781 235 S HN 0.229 nan 8.310 nan 0.000 0.519 236 M N 0.472 120.068 119.600 -0.007 0.000 2.308 236 M HA 0.360 4.840 4.480 0.000 0.000 0.212 236 M C 0.360 176.658 176.300 -0.003 0.000 0.857 236 M CA -0.148 55.147 55.300 -0.008 0.000 1.856 236 M CB -0.059 32.524 32.600 -0.028 0.000 1.108 236 M HN 0.073 nan 8.290 nan 0.000 0.899 237 S N -0.773 114.917 115.700 -0.018 0.000 2.560 237 S HA 0.430 4.900 4.470 0.000 0.000 0.283 237 S C -0.926 173.641 174.600 -0.054 0.000 1.141 237 S CA -0.723 57.473 58.200 -0.007 0.000 0.902 237 S CB 0.976 64.220 63.200 0.074 0.000 1.104 237 S HN 0.602 nan 8.310 nan 0.000 0.454 238 L N 3.847 125.022 121.223 -0.080 0.000 2.910 238 L HA 0.466 4.806 4.340 0.000 0.000 0.252 238 L C 1.438 178.228 176.870 -0.133 0.000 1.195 238 L CA 0.504 55.276 54.840 -0.114 0.000 1.003 238 L CB 0.626 42.621 42.059 -0.107 0.000 1.328 238 L HN 1.060 nan 8.230 nan 0.000 0.540 239 G N -0.648 108.054 108.800 -0.163 0.000 2.559 239 G HA2 -0.164 3.796 3.960 0.000 0.000 0.202 239 G HA3 -0.164 3.796 3.960 0.000 0.000 0.202 239 G C -0.104 174.623 174.900 -0.288 0.000 0.992 239 G CA -0.738 44.177 45.100 -0.309 0.000 0.764 239 G HN 0.275 nan 8.290 nan 0.000 0.525 240 E N 1.957 122.092 120.200 -0.109 0.000 2.498 240 E HA 0.333 4.683 4.350 0.000 0.000 0.252 240 E C -1.114 175.570 176.600 0.140 0.000 1.025 240 E CA -0.841 55.537 56.400 -0.037 0.000 0.938 240 E CB 1.072 30.760 29.700 -0.019 0.000 0.947 240 E HN 0.224 nan 8.360 nan 0.000 0.478 241 P HA -0.251 nan 4.420 nan 0.000 0.207 241 P C 0.504 177.917 177.300 0.188 0.000 0.926 241 P CA 1.035 64.273 63.100 0.230 0.000 0.982 241 P CB -0.010 31.658 31.700 -0.054 0.000 0.686 242 S N -1.879 113.857 115.700 0.059 0.000 2.612 242 S HA 0.246 4.716 4.470 0.000 0.000 0.253 242 S C 1.309 175.950 174.600 0.067 0.000 1.346 242 S CA 0.099 58.343 58.200 0.073 0.000 0.976 242 S CB -0.044 63.167 63.200 0.019 0.000 0.949 242 S HN 0.198 nan 8.310 nan 0.000 0.584 243 A N 0.726 123.578 122.820 0.054 0.000 2.132 243 A HA 0.214 4.534 4.320 0.000 0.000 0.213 243 A C 2.176 179.775 177.584 0.025 0.000 1.154 243 A CA 1.391 53.455 52.037 0.045 0.000 0.753 243 A CB -1.761 17.264 19.000 0.040 0.000 0.826 243 A HN 1.244 nan 8.150 nan 0.000 0.469 244 H N -2.775 116.304 119.070 0.016 0.000 2.422 244 H HA -0.154 4.402 4.556 0.000 0.000 0.298 244 H C 2.041 177.375 175.328 0.010 0.000 1.098 244 H CA 2.221 58.273 56.048 0.008 0.000 1.315 244 H CB -1.289 28.472 29.762 -0.001 0.000 1.382 244 H HN 0.966 nan 8.280 nan 0.000 0.523 245 Y N 0.236 120.542 120.300 0.010 0.000 2.619 245 Y HA 0.595 5.145 4.550 0.000 0.000 0.308 245 Y C 1.770 177.665 175.900 -0.008 0.000 1.192 245 Y CA 0.363 58.463 58.100 0.001 0.000 1.319 245 Y CB -1.615 36.841 38.460 -0.007 0.000 1.030 245 Y HN 0.982 nan 8.280 nan 0.000 0.517 246 L N -0.191 121.032 121.223 0.001 0.000 2.349 246 L HA 0.490 4.830 4.340 0.000 0.000 0.275 246 L C -0.658 176.208 176.870 -0.007 0.000 1.115 246 L CA -1.690 53.148 54.840 -0.003 0.000 0.820 246 L CB 0.073 42.137 42.059 0.008 0.000 1.135 246 L HN 0.164 nan 8.230 nan 0.000 0.445 247 P HA -0.210 nan 4.420 nan 0.000 0.215 247 P C 2.076 179.372 177.300 -0.007 0.000 1.163 247 P CA 2.575 65.667 63.100 -0.014 0.000 0.894 247 P CB 0.192 31.881 31.700 -0.019 0.000 0.791 248 S N -1.332 114.365 115.700 -0.005 0.000 2.462 248 S HA -0.264 4.206 4.470 0.000 0.000 0.251 248 S C 1.297 175.897 174.600 0.000 0.000 1.018 248 S CA 2.066 60.265 58.200 -0.002 0.000 0.988 248 S CB -1.837 61.364 63.200 0.001 0.000 0.766 248 S HN 0.538 nan 8.310 nan 0.000 0.504 249 H N -1.224 117.846 119.070 0.000 0.000 2.360 249 H HA 0.784 5.340 4.556 0.000 0.000 0.233 249 H C 1.256 176.585 175.328 0.003 0.000 1.473 249 H CA 0.748 56.797 56.048 0.002 0.000 1.352 249 H CB -1.004 28.760 29.762 0.003 0.000 1.493 249 H HN 0.703 nan 8.280 nan 0.000 0.533 250 Q N 0.476 120.277 119.800 0.002 0.000 2.437 250 Q HA 0.364 4.704 4.340 0.000 0.000 0.210 250 Q C 1.607 177.611 176.000 0.007 0.000 0.972 250 Q CA 1.261 57.066 55.803 0.003 0.000 0.903 250 Q CB -0.990 27.749 28.738 0.002 0.000 0.967 250 Q HN 1.345 nan 8.270 nan 0.000 0.486 257 G N -0.059 108.769 108.800 0.046 0.000 2.597 257 G HA2 0.602 4.562 3.960 0.000 0.000 0.317 257 G HA3 0.602 4.562 3.960 0.000 0.000 0.317 257 G C 0.149 175.082 174.900 0.055 0.000 1.230 257 G CA -0.644 44.482 45.100 0.043 0.000 0.996 257 G HN 0.358 nan 8.290 nan 0.000 0.490 258 I N 0.265 120.860 120.570 0.042 0.000 3.089 258 I HA -0.113 4.057 4.170 0.000 0.000 0.321 258 I C 0.769 176.926 176.117 0.067 0.000 1.222 258 I CA 0.840 62.163 61.300 0.038 0.000 1.452 258 I CB 0.099 38.111 38.000 0.019 0.000 1.321 258 I HN 0.514 nan 8.210 nan 0.000 0.539 259 Q N 6.554 126.409 119.800 0.091 0.000 2.390 259 Q HA 0.438 4.778 4.340 0.000 0.000 0.249 259 Q C -0.334 175.836 176.000 0.283 0.000 0.996 259 Q CA -0.394 55.528 55.803 0.198 0.000 0.899 259 Q CB 0.808 29.745 28.738 0.331 0.000 1.216 259 Q HN 0.563 nan 8.270 nan 0.000 0.465 260 L N 2.183 123.525 121.223 0.199 0.000 2.945 260 L HA 0.726 5.066 4.340 0.000 0.000 0.171 260 L C 0.680 177.500 176.870 -0.084 0.000 1.669 260 L CA -0.455 54.478 54.840 0.155 0.000 1.963 260 L CB -0.126 41.962 42.059 0.048 0.000 2.719 260 L HN 0.850 nan 8.230 nan 0.000 0.570 261 G N -0.428 108.281 108.800 -0.151 0.000 2.757 261 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 261 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 261 G C -2.941 171.674 174.900 -0.476 0.000 1.452 261 G CA -1.110 43.796 45.100 -0.323 0.000 0.922 261 G HN 0.295 nan 8.290 nan 0.000 0.588 262 P HA 0.439 nan 4.420 nan 0.000 0.280 262 P C -0.145 177.020 177.300 -0.225 0.000 1.300 262 P CA -0.072 62.937 63.100 -0.153 0.000 0.785 262 P CB 0.074 31.738 31.700 -0.060 0.000 0.874 263 F N 3.625 123.596 119.950 0.035 0.000 2.375 263 F HA 0.478 5.005 4.527 0.000 0.000 0.333 263 F C 1.233 177.066 175.800 0.056 0.000 1.104 263 F CA 0.546 58.583 58.000 0.062 0.000 1.149 263 F CB 0.730 39.793 39.000 0.105 0.000 1.190 263 F HN 0.363 nan 8.300 nan 0.000 0.533 264 D N 0.299 120.782 120.400 0.138 0.000 3.554 264 D HA 0.022 4.662 4.640 0.000 0.000 0.366 264 D C 0.277 176.357 176.300 -0.367 0.000 1.537 264 D CA -0.604 53.225 54.000 -0.286 0.000 0.876 264 D CB -0.227 40.503 40.800 -0.117 0.000 1.474 264 D HN 0.188 nan 8.370 nan 0.000 0.542 265 L N 0.109 121.073 121.223 -0.432 0.000 2.187 265 L HA 0.032 4.372 4.340 0.000 0.000 0.213 265 L C 2.294 179.310 176.870 0.243 0.000 1.100 265 L CA 2.464 57.280 54.840 -0.040 0.000 0.765 265 L CB -1.596 40.437 42.059 -0.044 0.000 0.904 265 L HN 0.544 nan 8.230 nan 0.000 0.437 266 S N -1.473 114.319 115.700 0.153 0.000 2.404 266 S HA -0.039 4.431 4.470 0.000 0.000 0.223 266 S C 1.229 175.935 174.600 0.178 0.000 1.040 266 S CA 0.015 58.312 58.200 0.161 0.000 0.957 266 S CB -0.211 63.027 63.200 0.062 0.000 0.826 266 S HN 0.524 nan 8.310 nan 0.000 0.491 267 Q N 2.263 122.131 119.800 0.114 0.000 2.771 267 Q HA 0.409 4.749 4.340 0.000 0.000 0.247 267 Q C -2.692 173.369 176.000 0.102 0.000 0.986 267 Q CA -2.624 53.205 55.803 0.044 0.000 0.713 267 Q CB 1.826 30.531 28.738 -0.055 0.000 1.241 267 Q HN 0.270 nan 8.270 nan 0.000 0.488 268 P HA -0.094 nan 4.420 nan 0.000 0.313 268 P C -1.006 176.470 177.300 0.294 0.000 1.332 268 P CA 0.136 63.210 63.100 -0.044 0.000 0.777 268 P CB 0.421 31.523 31.700 -0.998 0.000 1.599 269 Y N -0.689 119.571 120.300 -0.067 0.000 2.287 269 Y HA 0.322 4.872 4.550 0.000 0.000 0.325 269 Y C -0.497 175.280 175.900 -0.206 0.000 1.139 269 Y CA -1.143 56.889 58.100 -0.113 0.000 1.167 269 Y CB 0.225 38.344 38.460 -0.567 0.000 1.158 269 Y HN 0.073 nan 8.280 nan 0.000 0.434 270 I N 5.842 126.003 120.570 -0.682 0.000 2.664 270 I HA 0.288 4.458 4.170 0.000 0.000 0.284 270 I C 0.510 176.068 176.117 -0.932 0.000 1.154 270 I CA 0.425 61.353 61.300 -0.621 0.000 1.402 270 I CB -0.278 37.522 38.000 -0.335 0.000 1.395 270 I HN 0.756 nan 8.210 nan 0.000 0.545 271 A N 10.260 132.732 122.820 -0.580 0.000 2.374 271 A HA 0.897 5.217 4.320 0.000 0.000 0.317 271 A C -2.614 174.937 177.584 -0.055 0.000 1.094 271 A CA -1.440 50.406 52.037 -0.320 0.000 0.765 271 A CB 2.065 21.023 19.000 -0.069 0.000 1.268 271 A HN 0.482 nan 8.150 nan 0.000 0.438 272 P HA 0.464 nan 4.420 nan 0.000 0.287 272 P C -0.863 176.475 177.300 0.063 0.000 1.270 272 P CA -0.356 62.781 63.100 0.061 0.000 0.844 272 P CB 1.204 32.925 31.700 0.035 0.000 1.068 273 I N 3.274 123.817 120.570 -0.045 0.000 2.256 273 I HA 0.022 4.192 4.170 0.000 0.000 0.294 273 I C 2.072 178.060 176.117 -0.216 0.000 1.127 273 I CA -0.552 60.554 61.300 -0.324 0.000 1.247 273 I CB 0.756 38.487 38.000 -0.449 0.000 1.460 273 I HN 0.170 nan 8.210 nan 0.000 0.511 274 V N 3.272 123.085 119.914 -0.168 0.000 2.255 274 V HA -0.132 3.988 4.120 0.000 0.000 0.247 274 V C 0.965 176.964 176.094 -0.159 0.000 1.051 274 V CA 1.253 63.482 62.300 -0.118 0.000 1.018 274 V CB -0.636 31.148 31.823 -0.065 0.000 0.641 274 V HN 0.638 nan 8.190 nan 0.000 0.445 275 K N 0.452 120.735 120.400 -0.195 0.000 2.395 275 K HA 0.728 5.048 4.320 0.000 0.000 0.247 275 K C -0.907 175.570 176.600 -0.204 0.000 0.973 275 K CA 0.183 56.366 56.287 -0.173 0.000 0.828 275 K CB 2.175 34.608 32.500 -0.111 0.000 1.272 275 K HN 0.624 nan 8.250 nan 0.000 0.439 276 S N 0.826 116.437 115.700 -0.149 0.000 2.560 276 S HA 0.595 5.065 4.470 0.000 0.000 0.283 276 S C -1.589 172.960 174.600 -0.084 0.000 1.141 276 S CA -1.199 56.925 58.200 -0.126 0.000 0.902 276 S CB 1.363 64.445 63.200 -0.196 0.000 1.104 276 S HN 0.753 nan 8.310 nan 0.000 0.454 277 R N 1.017 121.492 120.500 -0.042 0.000 2.643 277 R HA 0.637 4.977 4.340 0.000 0.000 0.269 277 R C -1.052 175.215 176.300 -0.055 0.000 1.037 277 R CA -0.957 55.109 56.100 -0.058 0.000 0.894 277 R CB 0.847 31.102 30.300 -0.075 0.000 1.238 277 R HN 0.520 nan 8.270 nan 0.000 0.459 278 E N 1.393 121.557 120.200 -0.060 0.000 2.425 278 E HA 0.060 4.410 4.350 0.000 0.000 0.258 278 E C 0.005 176.561 176.600 -0.072 0.000 1.151 278 E CA 0.198 56.556 56.400 -0.069 0.000 0.958 278 E CB 0.874 30.554 29.700 -0.033 0.000 0.968 278 E HN 0.669 nan 8.360 nan 0.000 0.451 279 L N 0.923 122.084 121.223 -0.102 0.000 2.993 279 L HA 0.276 4.616 4.340 0.000 0.000 0.264 279 L C 0.030 177.107 176.870 0.344 0.000 1.154 279 L CA 0.022 54.850 54.840 -0.020 0.000 0.972 279 L CB 0.583 42.548 42.059 -0.157 0.000 1.373 279 L HN 0.337 nan 8.230 nan 0.000 0.564 280 F N -0.891 119.078 119.950 0.032 0.000 2.469 280 F HA 0.248 4.775 4.527 0.000 0.000 0.332 280 F C 1.052 176.880 175.800 0.047 0.000 1.103 280 F CA -0.858 57.178 58.000 0.061 0.000 0.979 280 F CB 1.961 41.004 39.000 0.073 0.000 1.137 280 F HN -0.281 nan 8.300 nan 0.000 0.463 281 S N 1.309 117.145 115.700 0.227 0.000 2.679 281 S HA -0.009 4.461 4.470 0.000 0.000 0.233 281 S C 0.428 175.096 174.600 0.112 0.000 0.951 281 S CA -0.089 58.188 58.200 0.129 0.000 0.973 281 S CB -0.103 63.147 63.200 0.084 0.000 0.778 281 S HN 0.496 nan 8.310 nan 0.000 0.477 282 S N 1.930 117.725 115.700 0.158 0.000 2.632 282 S HA 0.257 4.727 4.470 0.000 0.000 0.271 282 S C 1.183 175.851 174.600 0.114 0.000 1.260 282 S CA -0.790 57.483 58.200 0.122 0.000 1.010 282 S CB 0.425 63.709 63.200 0.140 0.000 0.965 282 S HN 0.545 nan 8.310 nan 0.000 0.534 283 N N 1.959 120.710 118.700 0.085 0.000 2.392 283 N HA 0.026 4.766 4.740 0.000 0.000 0.177 283 N C -0.168 175.388 175.510 0.076 0.000 1.066 283 N CA 0.263 53.356 53.050 0.071 0.000 0.895 283 N CB 0.232 38.750 38.487 0.052 0.000 0.988 283 N HN 0.557 nan 8.380 nan 0.000 0.457 284 D N 0.802 121.257 120.400 0.092 0.000 2.766 284 D HA 0.041 4.681 4.640 0.000 0.000 0.284 284 D C 0.782 177.158 176.300 0.127 0.000 1.050 284 D CA 0.224 54.281 54.000 0.095 0.000 0.945 284 D CB 0.768 41.618 40.800 0.084 0.000 1.272 284 D HN 0.283 nan 8.370 nan 0.000 0.482 285 R N 1.503 122.107 120.500 0.174 0.000 2.536 285 R HA 0.563 4.903 4.340 0.000 0.000 0.279 285 R C -0.433 176.054 176.300 0.312 0.000 1.001 285 R CA -0.504 55.745 56.100 0.249 0.000 1.027 285 R CB 0.983 31.466 30.300 0.306 0.000 1.096 285 R HN -0.152 nan 8.270 nan 0.000 0.502 286 N N 0.562 119.379 118.700 0.194 0.000 2.416 286 N HA 0.408 5.148 4.740 0.000 0.000 0.276 286 N C -1.568 173.709 175.510 -0.389 0.000 1.261 286 N CA -0.626 52.403 53.050 -0.036 0.000 0.790 286 N CB 2.142 40.615 38.487 -0.024 0.000 1.554 286 N HN 0.684 nan 8.380 nan 0.000 0.481 287 C N 1.120 119.965 119.300 -0.759 0.000 2.701 287 C HA 0.650 5.110 4.460 0.000 0.000 0.336 287 C C -1.413 173.341 174.990 -0.394 0.000 1.123 287 C CA -0.542 58.045 59.018 -0.718 0.000 1.326 287 C CB -0.198 26.715 27.740 -1.379 0.000 1.833 287 C HN 0.651 nan 8.230 nan 0.000 0.473 288 I N 4.259 124.707 120.570 -0.204 0.000 2.377 288 I HA 0.372 4.542 4.170 0.000 0.000 0.293 288 I C 0.096 176.178 176.117 -0.058 0.000 0.987 288 I CA 0.065 61.290 61.300 -0.126 0.000 1.185 288 I CB 1.206 39.132 38.000 -0.124 0.000 1.341 288 I HN 0.755 nan 8.210 nan 0.000 0.455 289 H N 4.854 123.856 119.070 -0.114 0.000 2.641 289 H HA 0.618 5.174 4.556 0.000 0.000 0.295 289 H C -1.032 174.205 175.328 -0.153 0.000 1.070 289 H CA -0.143 55.875 56.048 -0.049 0.000 1.257 289 H CB 0.684 30.451 29.762 0.007 0.000 1.393 289 H HN 0.582 nan 8.280 nan 0.000 0.464 290 S N 4.428 119.846 115.700 -0.470 0.000 2.473 290 S HA 0.242 4.712 4.470 0.000 0.000 0.307 290 S C -0.630 173.537 174.600 -0.721 0.000 1.094 290 S CA -0.984 56.876 58.200 -0.567 0.000 1.070 290 S CB 1.341 64.172 63.200 -0.615 0.000 1.019 290 S HN 0.722 nan 8.310 nan 0.000 0.480 291 E N 2.086 121.882 120.200 -0.673 0.000 2.092 291 E HA 0.345 4.695 4.350 0.000 0.000 0.271 291 E C -1.266 175.051 176.600 -0.472 0.000 0.919 291 E CA -0.258 55.824 56.400 -0.529 0.000 0.760 291 E CB 0.827 30.271 29.700 -0.427 0.000 1.106 291 E HN 0.432 nan 8.360 nan 0.000 0.408 292 F N 1.617 121.518 119.950 -0.081 0.000 2.404 292 F HA 0.173 4.700 4.527 0.000 0.000 0.339 292 F C 0.835 176.649 175.800 0.023 0.000 1.105 292 F CA -0.733 57.243 58.000 -0.041 0.000 1.087 292 F CB 1.024 39.995 39.000 -0.048 0.000 1.143 292 F HN 0.290 nan 8.300 nan 0.000 0.491 293 D N 4.321 124.833 120.400 0.188 0.000 2.359 293 D HA 0.218 4.858 4.640 0.000 0.000 0.230 293 D C 0.466 176.880 176.300 0.189 0.000 1.118 293 D CA -0.005 54.084 54.000 0.148 0.000 0.844 293 D CB 1.017 41.871 40.800 0.091 0.000 1.059 293 D HN 0.569 nan 8.370 nan 0.000 0.493 294 L N 2.439 123.757 121.223 0.158 0.000 2.585 294 L HA 0.000 4.340 4.340 0.000 0.000 0.226 294 L C 2.305 179.163 176.870 -0.021 0.000 1.113 294 L CA -0.175 54.728 54.840 0.105 0.000 0.876 294 L CB -0.087 41.994 42.059 0.035 0.000 1.072 294 L HN 0.258 nan 8.230 nan 0.000 0.468 295 S N 1.423 117.133 115.700 0.017 0.000 2.378 295 S HA -0.255 4.215 4.470 0.000 0.000 0.229 295 S C 2.126 176.708 174.600 -0.030 0.000 1.052 295 S CA 1.872 60.064 58.200 -0.014 0.000 1.084 295 S CB -0.731 62.479 63.200 0.016 0.000 0.950 295 S HN 0.648 nan 8.310 nan 0.000 0.440 296 G N 1.208 110.033 108.800 0.041 0.000 2.549 296 G HA2 -0.149 3.811 3.960 0.000 0.000 0.222 296 G HA3 -0.149 3.811 3.960 0.000 0.000 0.222 296 G C 0.611 175.469 174.900 -0.070 0.000 1.100 296 G CA 1.290 46.433 45.100 0.071 0.000 0.739 296 G HN 0.702 nan 8.290 nan 0.000 0.577 297 S N -0.548 114.946 115.700 -0.343 0.000 2.751 297 S HA 0.449 4.919 4.470 0.000 0.000 0.310 297 S C 0.122 174.553 174.600 -0.283 0.000 1.128 297 S CA -0.441 57.456 58.200 -0.505 0.000 0.931 297 S CB 1.540 63.870 63.200 -1.452 0.000 1.177 297 S HN 0.220 nan 8.310 nan 0.000 0.530 298 N N 0.168 118.769 118.700 -0.165 0.000 2.546 298 N HA 0.201 4.941 4.740 0.000 0.000 0.286 298 N C -0.844 174.630 175.510 -0.059 0.000 1.259 298 N CA -0.354 52.654 53.050 -0.071 0.000 0.939 298 N CB -0.462 38.029 38.487 0.007 0.000 1.243 298 N HN 0.655 nan 8.380 nan 0.000 0.511 299 I N 0.911 121.387 120.570 -0.158 0.000 2.281 299 I HA 0.142 4.312 4.170 0.000 0.000 0.293 299 I C 0.718 176.796 176.117 -0.064 0.000 1.085 299 I CA -0.459 60.789 61.300 -0.088 0.000 1.257 299 I CB 0.357 38.257 38.000 -0.167 0.000 1.430 299 I HN 0.218 nan 8.210 nan 0.000 0.489 300 K N 7.638 128.019 120.400 -0.032 0.000 2.229 300 K HA 0.241 4.561 4.320 0.000 0.000 0.247 300 K C -0.424 176.165 176.600 -0.018 0.000 1.117 300 K CA -0.574 55.666 56.287 -0.079 0.000 1.036 300 K CB -0.310 32.155 32.500 -0.059 0.000 1.654 300 K HN 0.519 nan 8.250 nan 0.000 0.405 301 Y N -0.499 119.817 120.300 0.027 0.000 2.335 301 Y HA 0.607 5.157 4.550 0.000 0.000 0.348 301 Y C 0.027 175.948 175.900 0.035 0.000 1.280 301 Y CA -1.347 56.779 58.100 0.044 0.000 1.504 301 Y CB 0.622 39.111 38.460 0.049 0.000 1.366 301 Y HN 0.210 nan 8.280 nan 0.000 0.621 302 S N 0.154 116.141 115.700 0.478 0.000 2.526 302 S HA 0.326 4.796 4.470 0.000 0.000 0.293 302 S C -0.900 173.874 174.600 0.291 0.000 1.092 302 S CA -0.959 57.427 58.200 0.311 0.000 0.980 302 S CB 1.388 64.682 63.200 0.157 0.000 1.048 302 S HN 0.752 nan 8.310 nan 0.000 0.483 303 T N 2.538 117.221 114.554 0.216 0.000 2.800 303 T HA 0.364 4.714 4.350 0.000 0.000 0.283 303 T C 1.295 176.071 174.700 0.127 0.000 0.999 303 T CA 1.503 63.675 62.100 0.119 0.000 1.176 303 T CB -0.173 68.710 68.868 0.026 0.000 0.973 303 T HN 1.196 nan 8.240 nan 0.000 0.519 304 G N 3.234 112.127 108.800 0.155 0.000 2.148 304 G HA2 -0.152 3.808 3.960 0.000 0.000 0.203 304 G HA3 -0.152 3.808 3.960 0.000 0.000 0.203 304 G C -0.121 174.857 174.900 0.131 0.000 0.993 304 G CA -0.342 44.937 45.100 0.298 0.000 0.661 304 G HN 0.648 nan 8.290 nan 0.000 0.518 305 D N -0.136 120.265 120.400 0.003 0.000 2.511 305 D HA 0.633 5.273 4.640 0.000 0.000 0.276 305 D C 0.186 176.346 176.300 -0.233 0.000 1.220 305 D CA -0.018 53.987 54.000 0.008 0.000 1.077 305 D CB 0.602 41.464 40.800 0.103 0.000 1.126 305 D HN 0.371 nan 8.370 nan 0.000 0.583 306 H N -1.084 118.024 119.070 0.063 0.000 2.731 306 H HA 0.563 5.119 4.556 0.000 0.000 0.368 306 H C -0.905 174.439 175.328 0.027 0.000 1.168 306 H CA -0.763 55.315 56.048 0.050 0.000 1.181 306 H CB 1.666 31.493 29.762 0.108 0.000 1.743 306 H HN 0.032 nan 8.280 nan 0.000 0.547 307 L N 1.322 122.607 121.223 0.103 0.000 2.322 307 L HA 0.744 5.084 4.340 0.000 0.000 0.281 307 L C -0.629 176.144 176.870 -0.163 0.000 1.014 307 L CA -0.575 54.232 54.840 -0.055 0.000 0.815 307 L CB 1.237 43.223 42.059 -0.122 0.000 1.247 307 L HN 0.812 nan 8.230 nan 0.000 0.421 308 A N 5.032 127.608 122.820 -0.406 0.000 2.260 308 A HA 0.676 4.996 4.320 0.000 0.000 0.314 308 A C -1.014 176.379 177.584 -0.318 0.000 1.257 308 A CA -0.480 51.168 52.037 -0.648 0.000 0.871 308 A CB 0.724 19.051 19.000 -1.122 0.000 1.166 308 A HN 0.477 nan 8.150 nan 0.000 0.522 309 V N 3.540 123.319 119.914 -0.225 0.000 2.334 309 V HA 0.220 4.340 4.120 0.000 0.000 0.281 309 V C -1.050 175.087 176.094 0.072 0.000 1.016 309 V CA -0.476 61.757 62.300 -0.111 0.000 0.832 309 V CB 0.410 32.085 31.823 -0.247 0.000 0.999 309 V HN 0.854 nan 8.190 nan 0.000 0.439 310 W N 8.150 129.339 121.300 -0.186 0.000 2.437 310 W HA 0.449 5.109 4.660 0.000 0.000 0.312 310 W C -1.665 174.816 176.519 -0.064 0.000 1.242 310 W CA -2.294 55.007 57.345 -0.073 0.000 1.340 310 W CB -0.091 29.360 29.460 -0.015 0.000 1.327 310 W HN 0.351 nan 8.180 nan 0.000 0.476 311 P HA 0.443 nan 4.420 nan 0.000 0.344 311 P C -0.534 176.931 177.300 0.275 0.000 1.321 311 P CA -0.293 62.906 63.100 0.165 0.000 0.773 311 P CB 1.429 33.206 31.700 0.129 0.000 1.723 312 S N -2.239 113.632 115.700 0.285 0.000 2.543 312 S HA 0.394 4.864 4.470 0.000 0.000 0.274 312 S C -0.834 173.918 174.600 0.254 0.000 1.149 312 S CA -0.894 57.492 58.200 0.311 0.000 0.866 312 S CB 0.030 63.498 63.200 0.448 0.000 1.111 312 S HN 0.294 nan 8.310 nan 0.000 0.457 313 N N 1.388 120.141 118.700 0.089 0.000 2.381 313 N HA 0.541 5.281 4.740 0.000 0.000 0.254 313 N C -2.870 172.565 175.510 -0.126 0.000 1.264 313 N CA -1.319 51.745 53.050 0.023 0.000 0.942 313 N CB -0.038 38.403 38.487 -0.077 0.000 1.190 313 N HN 0.436 nan 8.380 nan 0.000 0.495 314 P HA 0.111 nan 4.420 nan 0.000 0.275 314 P C 0.429 177.508 177.300 -0.368 0.000 1.227 314 P CA -0.089 62.591 63.100 -0.701 0.000 0.781 314 P CB 0.601 31.994 31.700 -0.512 0.000 0.906 315 L N 1.818 122.840 121.223 -0.335 0.000 2.012 315 L HA -0.241 4.099 4.340 0.000 0.000 0.210 315 L C 1.988 178.789 176.870 -0.116 0.000 1.073 315 L CA 1.781 56.524 54.840 -0.163 0.000 0.748 315 L CB -0.855 41.147 42.059 -0.095 0.000 0.891 315 L HN 0.367 nan 8.230 nan 0.000 0.431 316 E N 0.223 120.356 120.200 -0.111 0.000 2.114 316 E HA -0.217 4.133 4.350 0.000 0.000 0.199 316 E C 2.189 178.747 176.600 -0.070 0.000 1.008 316 E CA 1.220 57.580 56.400 -0.068 0.000 0.810 316 E CB -0.055 29.608 29.700 -0.062 0.000 0.739 316 E HN 0.289 nan 8.360 nan 0.000 0.456 317 K N 0.012 120.352 120.400 -0.100 0.000 2.005 317 K HA 0.023 4.343 4.320 0.000 0.000 0.206 317 K C 2.277 178.848 176.600 -0.049 0.000 1.044 317 K CA 0.666 56.908 56.287 -0.075 0.000 0.942 317 K CB -0.929 31.513 32.500 -0.097 0.000 0.727 317 K HN 0.056 nan 8.250 nan 0.000 0.439 318 V N 2.786 122.650 119.914 -0.084 0.000 2.313 318 V HA -0.292 3.828 4.120 0.000 0.000 0.253 318 V C 2.346 178.451 176.094 0.019 0.000 1.070 318 V CA 1.913 64.178 62.300 -0.058 0.000 1.057 318 V CB -0.409 31.351 31.823 -0.104 0.000 0.653 318 V HN 0.386 nan 8.190 nan 0.000 0.450 319 E N -0.501 119.691 120.200 -0.013 0.000 2.006 319 E HA -0.268 4.082 4.350 0.000 0.000 0.192 319 E C 2.245 178.844 176.600 -0.002 0.000 0.993 319 E CA 1.348 57.745 56.400 -0.006 0.000 0.808 319 E CB -0.290 29.396 29.700 -0.022 0.000 0.764 319 E HN 0.654 nan 8.360 nan 0.000 0.449 320 Q N -0.254 119.539 119.800 -0.011 0.000 2.325 320 Q HA -0.209 4.131 4.340 0.000 0.000 0.211 320 Q C 1.745 177.714 176.000 -0.051 0.000 0.988 320 Q CA 1.303 57.089 55.803 -0.029 0.000 0.887 320 Q CB -0.196 28.525 28.738 -0.028 0.000 0.915 320 Q HN 0.209 nan 8.270 nan 0.000 0.440 321 F N 0.098 119.934 119.950 -0.190 0.000 2.104 321 F HA -0.057 4.470 4.527 0.000 0.000 0.288 321 F C 1.631 177.229 175.800 -0.337 0.000 1.107 321 F CA 0.937 58.752 58.000 -0.308 0.000 1.208 321 F CB -0.273 38.585 39.000 -0.235 0.000 1.033 321 F HN -0.078 nan 8.300 nan 0.000 0.478 322 L N -0.020 121.155 121.223 -0.080 0.000 2.189 322 L HA -0.270 4.070 4.340 0.000 0.000 0.214 322 L C 2.299 179.106 176.870 -0.105 0.000 1.097 322 L CA 1.406 56.197 54.840 -0.081 0.000 0.764 322 L CB -0.807 41.279 42.059 0.045 0.000 0.900 322 L HN 0.177 nan 8.230 nan 0.000 0.436 323 S N -0.258 115.374 115.700 -0.114 0.000 2.371 323 S HA -0.111 4.359 4.470 0.000 0.000 0.224 323 S C 1.865 176.434 174.600 -0.052 0.000 1.029 323 S CA 0.817 58.979 58.200 -0.062 0.000 0.978 323 S CB -0.213 62.959 63.200 -0.047 0.000 0.833 323 S HN 0.251 nan 8.310 nan 0.000 0.466 324 I N 0.927 121.404 120.570 -0.156 0.000 2.676 324 I HA 0.107 4.277 4.170 0.000 0.000 0.259 324 I C 1.323 177.560 176.117 0.201 0.000 1.194 324 I CA 0.863 62.133 61.300 -0.050 0.000 1.473 324 I CB -0.325 37.538 38.000 -0.229 0.000 1.096 324 I HN 0.265 nan 8.210 nan 0.000 0.443 325 F N -0.488 119.387 119.950 -0.124 0.000 2.446 325 F HA 0.068 4.595 4.527 0.000 0.000 0.292 325 F C 1.374 177.159 175.800 -0.025 0.000 1.096 325 F CA 0.254 58.203 58.000 -0.084 0.000 1.438 325 F CB 0.197 39.058 39.000 -0.230 0.000 1.107 325 F HN 0.081 nan 8.300 nan 0.000 0.546 326 N N 1.051 119.844 118.700 0.154 0.000 2.994 326 N HA -0.173 4.567 4.740 0.000 0.000 0.246 326 N C -0.527 175.032 175.510 0.082 0.000 1.061 326 N CA 0.094 53.198 53.050 0.090 0.000 0.845 326 N CB -1.574 36.961 38.487 0.080 0.000 1.119 326 N HN 0.157 nan 8.380 nan 0.000 0.551 327 L N 2.045 123.329 121.223 0.102 0.000 2.380 327 L HA 0.418 4.758 4.340 0.000 0.000 0.273 327 L C 0.290 177.213 176.870 0.088 0.000 1.138 327 L CA -0.054 54.850 54.840 0.106 0.000 0.832 327 L CB 0.626 42.775 42.059 0.149 0.000 1.124 327 L HN 0.174 nan 8.230 nan 0.000 0.454 328 D N 5.797 126.252 120.400 0.091 0.000 2.316 328 D HA 0.323 4.963 4.640 0.000 0.000 0.245 328 D C -1.833 174.520 176.300 0.089 0.000 1.171 328 D CA -1.632 52.412 54.000 0.075 0.000 0.856 328 D CB 1.537 42.374 40.800 0.063 0.000 1.090 328 D HN 0.419 nan 8.370 nan 0.000 0.476 329 P HA -0.203 nan 4.420 nan 0.000 0.216 329 P C 0.986 178.314 177.300 0.048 0.000 1.154 329 P CA 0.980 64.114 63.100 0.055 0.000 0.865 329 P CB 0.240 31.951 31.700 0.018 0.000 0.789 330 E N -0.653 119.569 120.200 0.036 0.000 2.085 330 E HA -0.098 4.252 4.350 0.000 0.000 0.194 330 E C 0.398 177.026 176.600 0.046 0.000 0.994 330 E CA 0.994 57.409 56.400 0.024 0.000 0.801 330 E CB -1.622 28.088 29.700 0.018 0.000 0.743 330 E HN 0.223 nan 8.360 nan 0.000 0.453 331 T N 3.062 117.670 114.554 0.091 0.000 2.341 331 T HA -0.117 4.233 4.350 0.000 0.000 0.216 331 T C 0.428 175.218 174.700 0.150 0.000 1.109 331 T CA 0.192 62.376 62.100 0.139 0.000 1.555 331 T CB -0.583 68.420 68.868 0.224 0.000 1.075 331 T HN -0.062 nan 8.240 nan 0.000 0.466 332 I N 4.871 125.483 120.570 0.070 0.000 2.581 332 I HA 0.550 4.720 4.170 0.000 0.000 0.288 332 I C 0.249 176.426 176.117 0.101 0.000 1.047 332 I CA -0.243 61.054 61.300 -0.005 0.000 1.374 332 I CB 0.310 38.291 38.000 -0.031 0.000 1.423 332 I HN 0.622 nan 8.210 nan 0.000 0.549 333 F N 2.155 122.138 119.950 0.056 0.000 2.789 333 F HA 0.809 5.336 4.527 0.000 0.000 0.319 333 F C -1.512 174.337 175.800 0.081 0.000 1.168 333 F CA -1.392 56.632 58.000 0.039 0.000 0.934 333 F CB 1.307 40.393 39.000 0.144 0.000 1.375 333 F HN 0.420 nan 8.300 nan 0.000 0.480 334 D N 0.052 120.789 120.400 0.560 0.000 2.602 334 D HA 0.661 5.301 4.640 0.000 0.000 0.236 334 D C -1.972 174.552 176.300 0.374 0.000 1.209 334 D CA -0.345 53.890 54.000 0.391 0.000 0.831 334 D CB 2.354 43.254 40.800 0.167 0.000 1.478 334 D HN 0.784 nan 8.370 nan 0.000 0.438 335 L N 2.042 123.397 121.223 0.220 0.000 2.356 335 L HA 0.489 4.829 4.340 0.000 0.000 0.277 335 L C -0.391 176.502 176.870 0.038 0.000 0.996 335 L CA -0.940 53.916 54.840 0.027 0.000 0.822 335 L CB 1.826 43.658 42.059 -0.379 0.000 1.256 335 L HN 0.324 nan 8.230 nan 0.000 0.413 336 K N 5.121 125.609 120.400 0.146 0.000 2.339 336 K HA 0.474 4.794 4.320 0.000 0.000 0.264 336 K C -2.600 174.193 176.600 0.322 0.000 0.986 336 K CA -1.656 54.741 56.287 0.183 0.000 0.866 336 K CB 1.704 34.294 32.500 0.149 0.000 1.103 336 K HN 0.142 nan 8.250 nan 0.000 0.441 337 P HA 0.027 nan 4.420 nan 0.000 0.269 337 P C 0.318 177.715 177.300 0.161 0.000 1.252 337 P CA -0.034 63.263 63.100 0.328 0.000 0.780 337 P CB 0.590 32.432 31.700 0.237 0.000 0.829 338 L N 1.957 123.237 121.223 0.094 0.000 2.261 338 L HA -0.100 4.240 4.340 0.000 0.000 0.216 338 L C 1.074 177.963 176.870 0.032 0.000 1.114 338 L CA 1.462 56.329 54.840 0.045 0.000 0.777 338 L CB -0.475 41.582 42.059 -0.003 0.000 0.910 338 L HN 0.504 nan 8.230 nan 0.000 0.440 339 D N -4.138 116.279 120.400 0.028 0.000 2.653 339 D HA 0.139 4.779 4.640 0.000 0.000 0.258 339 D C -2.519 173.806 176.300 0.042 0.000 1.252 339 D CA -1.492 52.526 54.000 0.029 0.000 0.777 339 D CB 1.407 42.215 40.800 0.014 0.000 1.339 339 D HN -0.342 nan 8.370 nan 0.000 0.422 340 P HA -0.146 nan 4.420 nan 0.000 0.219 340 P C 1.273 178.619 177.300 0.076 0.000 1.145 340 P CA 1.591 64.723 63.100 0.054 0.000 0.813 340 P CB 0.204 31.930 31.700 0.044 0.000 0.771 341 T N -1.161 113.435 114.554 0.071 0.000 2.770 341 T HA -0.013 4.337 4.350 0.000 0.000 0.263 341 T C 0.738 175.489 174.700 0.085 0.000 1.039 341 T CA 0.571 62.726 62.100 0.091 0.000 1.142 341 T CB -0.427 68.466 68.868 0.040 0.000 0.868 341 T HN -0.178 nan 8.240 nan 0.000 0.435 342 V N 3.675 123.610 119.914 0.035 0.000 2.409 342 V HA 0.105 4.225 4.120 0.000 0.000 0.270 342 V C 0.161 176.328 176.094 0.122 0.000 1.019 342 V CA 0.269 62.572 62.300 0.006 0.000 1.066 342 V CB -0.108 31.626 31.823 -0.148 0.000 1.021 342 V HN 0.309 nan 8.190 nan 0.000 0.476 343 K N 4.059 124.549 120.400 0.151 0.000 2.156 343 K HA 0.520 4.840 4.320 0.000 0.000 0.271 343 K C -0.371 176.359 176.600 0.217 0.000 0.995 343 K CA -0.793 55.593 56.287 0.165 0.000 0.890 343 K CB 1.866 34.438 32.500 0.121 0.000 1.073 343 K HN 0.552 nan 8.250 nan 0.000 0.454 344 V N 1.423 121.422 119.914 0.143 0.000 2.617 344 V HA -0.003 4.117 4.120 0.000 0.000 0.304 344 V C -1.731 174.277 176.094 -0.144 0.000 1.040 344 V CA -1.052 61.220 62.300 -0.047 0.000 1.149 344 V CB 0.215 31.968 31.823 -0.116 0.000 0.914 344 V HN 0.717 nan 8.190 nan 0.000 0.487 345 P HA 0.089 nan 4.420 nan 0.000 0.220 345 P C -0.253 176.829 177.300 -0.364 0.000 1.148 345 P CA 1.149 64.001 63.100 -0.415 0.000 0.803 345 P CB -0.007 31.298 31.700 -0.659 0.000 0.782 346 F N -6.444 113.405 119.950 -0.170 0.000 2.858 346 F HA 0.554 5.081 4.527 0.000 0.000 0.319 346 F C -3.287 172.350 175.800 -0.272 0.000 1.166 346 F CA -3.949 53.823 58.000 -0.381 0.000 0.899 346 F CB -0.742 37.715 39.000 -0.906 0.000 1.332 346 F HN -0.449 nan 8.300 nan 0.000 0.461 347 P HA 0.244 nan 4.420 nan 0.000 0.261 347 P C -0.599 176.837 177.300 0.226 0.000 1.173 347 P CA 0.612 63.787 63.100 0.124 0.000 0.760 347 P CB 0.362 32.146 31.700 0.140 0.000 0.783 348 T N 0.912 115.559 114.554 0.155 0.000 2.900 348 T HA 0.651 5.001 4.350 0.000 0.000 0.303 348 T C -2.913 171.830 174.700 0.071 0.000 1.142 348 T CA -2.273 59.909 62.100 0.138 0.000 1.007 348 T CB 1.241 70.219 68.868 0.183 0.000 1.156 348 T HN -0.016 nan 8.240 nan 0.000 0.490 349 P HA 0.626 nan 4.420 nan 0.000 0.275 349 P C -0.349 176.899 177.300 -0.087 0.000 1.270 349 P CA -0.190 62.910 63.100 0.001 0.000 0.791 349 P CB 0.496 32.191 31.700 -0.008 0.000 1.089 350 T N -2.585 111.788 114.554 -0.301 0.000 2.733 350 T HA 0.390 4.740 4.350 0.000 0.000 0.312 350 T C -0.966 173.381 174.700 -0.588 0.000 1.590 350 T CA -0.495 61.393 62.100 -0.352 0.000 1.005 350 T CB 0.668 69.383 68.868 -0.254 0.000 1.528 350 T HN 0.487 nan 8.240 nan 0.000 0.496 351 T N 0.820 115.153 114.554 -0.368 0.000 2.816 351 T HA 0.494 4.844 4.350 0.000 0.000 0.282 351 T C 1.568 176.124 174.700 -0.239 0.000 0.993 351 T CA -0.435 61.508 62.100 -0.262 0.000 0.994 351 T CB 0.194 68.983 68.868 -0.131 0.000 1.025 351 T HN 0.500 nan 8.240 nan 0.000 0.529 352 I N 1.644 122.238 120.570 0.039 0.000 2.928 352 I HA 0.119 4.289 4.170 0.000 0.000 0.266 352 I C 2.256 178.441 176.117 0.113 0.000 1.234 352 I CA 0.756 62.218 61.300 0.270 0.000 1.483 352 I CB -0.274 37.949 38.000 0.371 0.000 1.097 352 I HN 0.876 nan 8.210 nan 0.000 0.455 353 G N 0.080 108.880 108.800 -0.000 0.000 2.411 353 G HA2 -0.106 3.854 3.960 0.000 0.000 0.213 353 G HA3 -0.106 3.854 3.960 0.000 0.000 0.213 353 G C 1.797 176.587 174.900 -0.184 0.000 1.166 353 G CA 0.617 45.681 45.100 -0.060 0.000 0.802 353 G HN 0.424 nan 8.290 nan 0.000 0.533 354 A N 1.041 123.726 122.820 -0.225 0.000 2.015 354 A HA 0.357 4.677 4.320 0.000 0.000 0.219 354 A C 2.669 179.919 177.584 -0.556 0.000 1.163 354 A CA 2.021 53.848 52.037 -0.350 0.000 0.646 354 A CB -0.465 18.369 19.000 -0.277 0.000 0.806 354 A HN 0.634 nan 8.150 nan 0.000 0.448 355 A N -0.275 122.321 122.820 -0.374 0.000 1.930 355 A HA 0.122 4.442 4.320 0.000 0.000 0.215 355 A C 1.888 179.388 177.584 -0.141 0.000 1.176 355 A CA 1.188 53.046 52.037 -0.299 0.000 0.632 355 A CB -0.390 18.588 19.000 -0.036 0.000 0.819 355 A HN 0.459 nan 8.150 nan 0.000 0.445 356 I N -1.020 119.488 120.570 -0.103 0.000 3.428 356 I HA -0.030 4.140 4.170 0.000 0.000 0.286 356 I C 2.164 178.151 176.117 -0.217 0.000 1.287 356 I CA 1.081 62.311 61.300 -0.117 0.000 1.396 356 I CB 0.063 38.087 38.000 0.040 0.000 1.062 356 I HN 0.390 nan 8.210 nan 0.000 0.471 357 K N -0.174 120.027 120.400 -0.332 0.000 2.387 357 K HA 0.048 4.368 4.320 0.000 0.000 0.197 357 K C 1.599 177.908 176.600 -0.485 0.000 1.127 357 K CA 0.444 56.454 56.287 -0.461 0.000 0.950 357 K CB 0.411 32.505 32.500 -0.676 0.000 1.017 357 K HN 0.254 nan 8.250 nan 0.000 0.519 358 H N -1.676 117.247 119.070 -0.245 0.000 3.046 358 H HA 0.147 4.703 4.556 0.000 0.000 0.262 358 H C 0.649 175.997 175.328 0.035 0.000 1.044 358 H CA 0.197 56.134 56.048 -0.185 0.000 1.209 358 H CB 0.467 29.990 29.762 -0.399 0.000 1.507 358 H HN 0.215 nan 8.280 nan 0.000 0.507 359 Y N 0.214 120.543 120.300 0.050 0.000 2.581 359 Y HA 0.285 4.835 4.550 0.000 0.000 0.271 359 Y C 0.661 176.625 175.900 0.107 0.000 1.100 359 Y CA -0.182 57.959 58.100 0.068 0.000 1.281 359 Y CB 1.454 39.800 38.460 -0.190 0.000 1.237 359 Y HN -0.156 nan 8.280 nan 0.000 0.514 360 L N 2.009 123.334 121.223 0.170 0.000 2.257 360 L HA 0.208 4.548 4.340 0.000 0.000 0.290 360 L C 0.166 177.009 176.870 -0.045 0.000 1.044 360 L CA -0.452 54.429 54.840 0.070 0.000 0.810 360 L CB 0.929 42.986 42.059 -0.003 0.000 1.193 360 L HN 0.053 nan 8.230 nan 0.000 0.425 361 E N 4.589 124.779 120.200 -0.016 0.000 2.127 361 E HA -0.031 4.319 4.350 0.000 0.000 0.295 361 E C 1.235 177.768 176.600 -0.111 0.000 1.155 361 E CA -0.001 56.373 56.400 -0.044 0.000 1.201 361 E CB 0.197 29.887 29.700 -0.018 0.000 1.083 361 E HN 0.623 nan 8.360 nan 0.000 0.472 362 I N -1.082 119.353 120.570 -0.225 0.000 2.286 362 I HA -0.110 4.060 4.170 0.000 0.000 0.248 362 I C 1.476 177.494 176.117 -0.164 0.000 1.115 362 I CA 0.586 61.668 61.300 -0.363 0.000 1.392 362 I CB -0.350 37.216 38.000 -0.725 0.000 1.065 362 I HN 0.047 nan 8.210 nan 0.000 0.418 363 T N 0.621 115.112 114.554 -0.106 0.000 2.788 363 T HA 0.528 4.878 4.350 0.000 0.000 0.287 363 T C 0.142 174.837 174.700 -0.008 0.000 1.007 363 T CA 0.770 62.847 62.100 -0.039 0.000 1.005 363 T CB 0.603 69.455 68.868 -0.026 0.000 1.012 363 T HN 0.955 nan 8.240 nan 0.000 0.530 364 G N 2.599 111.409 108.800 0.018 0.000 2.555 364 G HA2 0.011 3.971 3.960 0.000 0.000 0.686 364 G HA3 0.011 3.971 3.960 0.000 0.000 0.686 364 G C -3.093 171.824 174.900 0.029 0.000 1.275 364 G CA -0.949 44.168 45.100 0.028 0.000 0.871 364 G HN 0.782 nan 8.290 nan 0.000 0.603 365 P HA 0.335 nan 4.420 nan 0.000 0.267 365 P C 0.059 177.370 177.300 0.018 0.000 1.201 365 P CA -0.354 62.742 63.100 -0.008 0.000 0.775 365 P CB 0.665 32.361 31.700 -0.007 0.000 0.854 366 V N 2.268 122.186 119.914 0.007 0.000 2.370 366 V HA 0.172 4.292 4.120 0.000 0.000 0.279 366 V C 0.574 176.775 176.094 0.179 0.000 1.029 366 V CA -0.246 62.094 62.300 0.067 0.000 0.870 366 V CB 1.240 33.076 31.823 0.021 0.000 0.984 366 V HN 0.536 nan 8.190 nan 0.000 0.451 367 S N 4.371 120.141 115.700 0.117 0.000 2.510 367 S HA 0.119 4.589 4.470 0.000 0.000 0.279 367 S C 1.367 175.943 174.600 -0.040 0.000 1.284 367 S CA -0.255 58.008 58.200 0.105 0.000 1.059 367 S CB 0.158 63.387 63.200 0.048 0.000 0.901 367 S HN 0.772 nan 8.310 nan 0.000 0.491 368 R N 3.133 123.466 120.500 -0.279 0.000 2.200 368 R HA -0.114 4.226 4.340 0.000 0.000 0.234 368 R C 1.889 178.021 176.300 -0.279 0.000 1.127 368 R CA 1.251 56.793 56.100 -0.931 0.000 0.989 368 R CB -0.126 29.595 30.300 -0.964 0.000 0.869 368 R HN 0.639 nan 8.270 nan 0.000 0.459 369 Q N 0.556 120.347 119.800 -0.014 0.000 2.167 369 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 369 Q C 1.918 178.005 176.000 0.145 0.000 0.970 369 Q CA 0.977 56.852 55.803 0.119 0.000 0.855 369 Q CB -0.113 28.774 28.738 0.249 0.000 0.911 369 Q HN 0.325 nan 8.270 nan 0.000 0.438 370 L N -0.258 121.051 121.223 0.144 0.000 2.093 370 L HA -0.057 4.283 4.340 0.000 0.000 0.208 370 L C 2.019 179.138 176.870 0.414 0.000 1.085 370 L CA 1.501 56.493 54.840 0.253 0.000 0.755 370 L CB -0.836 41.367 42.059 0.239 0.000 0.904 370 L HN 0.172 nan 8.230 nan 0.000 0.435 371 F N -0.960 119.050 119.950 0.099 0.000 2.095 371 F HA -0.280 4.247 4.527 0.000 0.000 0.298 371 F C 2.791 178.650 175.800 0.099 0.000 1.104 371 F CA 1.131 59.201 58.000 0.117 0.000 1.232 371 F CB -0.365 38.672 39.000 0.062 0.000 0.987 371 F HN 0.209 nan 8.300 nan 0.000 0.475 372 S N -0.526 115.321 115.700 0.244 0.000 2.469 372 S HA -0.134 4.336 4.470 0.000 0.000 0.238 372 S C 1.468 176.145 174.600 0.128 0.000 0.998 372 S CA 1.398 59.680 58.200 0.136 0.000 0.957 372 S CB -0.324 62.930 63.200 0.091 0.000 0.764 372 S HN 0.266 nan 8.310 nan 0.000 0.514 373 S N 0.430 116.256 115.700 0.210 0.000 2.557 373 S HA 0.394 4.864 4.470 0.000 0.000 0.223 373 S C 1.047 175.800 174.600 0.255 0.000 0.969 373 S CA -0.329 58.028 58.200 0.262 0.000 0.927 373 S CB 0.201 63.628 63.200 0.378 0.000 0.806 373 S HN 0.432 nan 8.310 nan 0.000 0.489 374 L N 0.264 121.578 121.223 0.151 0.000 2.537 374 L HA 0.344 4.684 4.340 0.000 0.000 0.224 374 L C 1.671 178.471 176.870 -0.116 0.000 1.065 374 L CA 0.216 55.083 54.840 0.045 0.000 0.860 374 L CB -0.311 41.878 42.059 0.217 0.000 1.086 374 L HN 0.235 nan 8.230 nan 0.000 0.482 375 I N 0.292 120.814 120.570 -0.081 0.000 2.290 375 I HA -0.415 3.755 4.170 0.000 0.000 0.253 375 I C 2.454 178.428 176.117 -0.239 0.000 1.112 375 I CA 1.489 62.721 61.300 -0.113 0.000 1.377 375 I CB -0.383 37.570 38.000 -0.079 0.000 1.060 375 I HN 0.424 nan 8.210 nan 0.000 0.428 376 Q N 0.339 119.862 119.800 -0.461 0.000 2.002 376 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 376 Q C 1.166 176.819 176.000 -0.578 0.000 0.988 376 Q CA 1.630 57.025 55.803 -0.679 0.000 0.843 376 Q CB -0.188 27.749 28.738 -1.334 0.000 0.908 376 Q HN 0.483 nan 8.270 nan 0.000 0.420 377 F N 0.597 120.438 119.950 -0.181 0.000 2.873 377 F HA 0.361 4.888 4.527 0.000 0.000 0.289 377 F C 0.672 176.392 175.800 -0.133 0.000 1.206 377 F CA -0.814 57.071 58.000 -0.192 0.000 1.401 377 F CB -1.175 37.635 39.000 -0.317 0.000 0.996 377 F HN -0.061 nan 8.300 nan 0.000 0.511 378 A N 1.345 124.118 122.820 -0.078 0.000 2.504 378 A HA 0.176 4.496 4.320 0.000 0.000 0.242 378 A C -1.279 176.091 177.584 -0.356 0.000 1.100 378 A CA -0.529 51.378 52.037 -0.217 0.000 0.786 378 A CB -0.154 18.730 19.000 -0.193 0.000 1.050 378 A HN 0.232 nan 8.150 nan 0.000 0.512 379 P HA 0.072 nan 4.420 nan 0.000 0.218 379 P C 0.042 177.136 177.300 -0.343 0.000 1.147 379 P CA 0.837 63.581 63.100 -0.592 0.000 0.863 379 P CB 0.177 31.312 31.700 -0.942 0.000 0.812 380 N N -1.848 116.663 118.700 -0.315 0.000 2.902 380 N HA 0.302 5.042 4.740 0.000 0.000 0.268 380 N C 0.612 176.022 175.510 -0.167 0.000 1.450 380 N CA -0.307 52.623 53.050 -0.201 0.000 0.819 380 N CB 0.851 39.233 38.487 -0.175 0.000 1.540 380 N HN -0.183 nan 8.380 nan 0.000 0.545 381 A N 0.023 122.772 122.820 -0.119 0.000 1.902 381 A HA -0.189 4.131 4.320 0.000 0.000 0.217 381 A C 1.669 179.201 177.584 -0.086 0.000 1.181 381 A CA 1.922 53.903 52.037 -0.093 0.000 0.623 381 A CB -0.838 18.119 19.000 -0.071 0.000 0.818 381 A HN 0.827 nan 8.150 nan 0.000 0.443 382 D N -0.008 120.341 120.400 -0.086 0.000 2.097 382 D HA -0.124 4.516 4.640 0.000 0.000 0.195 382 D C 2.047 178.302 176.300 -0.074 0.000 0.989 382 D CA 1.760 55.718 54.000 -0.069 0.000 0.827 382 D CB -0.109 40.652 40.800 -0.065 0.000 0.966 382 D HN 0.181 nan 8.370 nan 0.000 0.456 383 V N 1.349 121.193 119.914 -0.116 0.000 2.255 383 V HA -0.251 3.869 4.120 0.000 0.000 0.247 383 V C 2.734 178.773 176.094 -0.092 0.000 1.051 383 V CA 2.046 64.272 62.300 -0.122 0.000 1.018 383 V CB -0.658 31.005 31.823 -0.266 0.000 0.641 383 V HN 0.246 nan 8.190 nan 0.000 0.445 384 K N -0.559 119.770 120.400 -0.118 0.000 2.144 384 K HA -0.288 4.032 4.320 0.000 0.000 0.209 384 K C 2.252 178.822 176.600 -0.050 0.000 1.047 384 K CA 1.965 58.199 56.287 -0.088 0.000 0.927 384 K CB -0.127 32.314 32.500 -0.098 0.000 0.716 384 K HN 0.466 nan 8.250 nan 0.000 0.454 385 E N 0.472 120.647 120.200 -0.043 0.000 2.028 385 E HA -0.141 4.209 4.350 0.000 0.000 0.190 385 E C 1.951 178.555 176.600 0.006 0.000 0.984 385 E CA 0.916 57.305 56.400 -0.019 0.000 0.800 385 E CB 0.131 29.819 29.700 -0.019 0.000 0.758 385 E HN 0.202 nan 8.360 nan 0.000 0.448 386 K N 1.014 121.421 120.400 0.011 0.000 2.001 386 K HA -0.159 4.161 4.320 0.000 0.000 0.214 386 K C 2.382 179.020 176.600 0.063 0.000 1.050 386 K CA 0.637 56.953 56.287 0.048 0.000 0.934 386 K CB -0.970 31.560 32.500 0.049 0.000 0.718 386 K HN 0.214 nan 8.250 nan 0.000 0.443 387 L N 1.257 122.494 121.223 0.023 0.000 2.034 387 L HA -0.298 4.042 4.340 0.000 0.000 0.217 387 L C 2.257 179.153 176.870 0.043 0.000 1.077 387 L CA 1.796 56.626 54.840 -0.017 0.000 0.769 387 L CB -0.579 41.459 42.059 -0.036 0.000 0.890 387 L HN 0.312 nan 8.230 nan 0.000 0.435 388 T N 0.236 114.809 114.554 0.031 0.000 2.569 388 T HA -0.247 4.103 4.350 0.000 0.000 0.263 388 T C 1.826 176.565 174.700 0.066 0.000 1.074 388 T CA 1.722 63.844 62.100 0.036 0.000 1.176 388 T CB -0.495 68.380 68.868 0.012 0.000 0.863 388 T HN 0.248 nan 8.240 nan 0.000 0.410 389 L N 0.492 121.755 121.223 0.067 0.000 2.197 389 L HA -0.145 4.195 4.340 0.000 0.000 0.215 389 L C 2.443 179.389 176.870 0.127 0.000 1.095 389 L CA 1.077 55.967 54.840 0.083 0.000 0.764 389 L CB -0.614 41.491 42.059 0.077 0.000 0.897 389 L HN 0.247 nan 8.230 nan 0.000 0.436 390 L N -0.921 120.409 121.223 0.179 0.000 2.049 390 L HA -0.141 4.199 4.340 0.000 0.000 0.203 390 L C 2.751 179.759 176.870 0.230 0.000 1.074 390 L CA 1.365 56.378 54.840 0.288 0.000 0.749 390 L CB -0.383 41.956 42.059 0.466 0.000 0.907 390 L HN 0.415 nan 8.230 nan 0.000 0.439 391 S N -0.638 115.179 115.700 0.195 0.000 2.488 391 S HA -0.200 4.270 4.470 0.000 0.000 0.246 391 S C 1.488 176.110 174.600 0.037 0.000 0.992 391 S CA 1.080 59.337 58.200 0.094 0.000 0.963 391 S CB -0.308 62.957 63.200 0.109 0.000 0.754 391 S HN 0.428 nan 8.310 nan 0.000 0.519 392 K N 0.297 120.735 120.400 0.064 0.000 2.374 392 K HA 0.232 4.552 4.320 0.000 0.000 0.202 392 K C -0.454 176.181 176.600 0.059 0.000 1.040 392 K CA 0.002 56.316 56.287 0.046 0.000 1.085 392 K CB 0.482 33.006 32.500 0.041 0.000 0.873 392 K HN 0.241 nan 8.250 nan 0.000 0.539 393 D N 1.735 122.189 120.400 0.090 0.000 2.440 393 D HA 0.057 4.697 4.640 0.000 0.000 0.252 393 D C 0.609 176.989 176.300 0.133 0.000 1.180 393 D CA -0.129 53.933 54.000 0.104 0.000 0.894 393 D CB 1.308 42.179 40.800 0.118 0.000 1.111 393 D HN -0.088 nan 8.370 nan 0.000 0.544 394 K N 3.299 123.761 120.400 0.104 0.000 2.089 394 K HA -0.217 4.103 4.320 0.000 0.000 0.210 394 K C 0.504 177.199 176.600 0.159 0.000 1.048 394 K CA 1.617 57.979 56.287 0.125 0.000 0.926 394 K CB 0.242 32.795 32.500 0.089 0.000 0.714 394 K HN 0.404 nan 8.250 nan 0.000 0.448 395 D N 0.293 120.765 120.400 0.121 0.000 2.087 395 D HA -0.197 4.443 4.640 0.000 0.000 0.201 395 D C 2.042 178.409 176.300 0.112 0.000 0.980 395 D CA 0.990 55.049 54.000 0.098 0.000 0.849 395 D CB -0.552 40.292 40.800 0.073 0.000 1.001 395 D HN 0.394 nan 8.370 nan 0.000 0.452 396 Q N -0.146 119.732 119.800 0.131 0.000 2.156 396 Q HA -0.238 4.102 4.340 0.000 0.000 0.211 396 Q C 2.204 178.313 176.000 0.181 0.000 0.995 396 Q CA 1.379 57.270 55.803 0.147 0.000 0.877 396 Q CB -0.294 28.545 28.738 0.169 0.000 0.920 396 Q HN 0.182 nan 8.270 nan 0.000 0.416 397 F N 0.558 120.547 119.950 0.066 0.000 2.095 397 F HA -0.211 4.316 4.527 0.000 0.000 0.298 397 F C 2.065 177.839 175.800 -0.043 0.000 1.104 397 F CA 1.475 59.499 58.000 0.040 0.000 1.232 397 F CB -0.885 38.127 39.000 0.022 0.000 0.987 397 F HN 0.181 nan 8.300 nan 0.000 0.475 398 A N 0.109 122.904 122.820 -0.040 0.000 1.842 398 A HA -0.201 4.119 4.320 0.000 0.000 0.217 398 A C 2.401 179.846 177.584 -0.233 0.000 1.206 398 A CA 2.542 54.470 52.037 -0.183 0.000 0.630 398 A CB -1.533 17.438 19.000 -0.048 0.000 0.839 398 A HN 0.251 nan 8.150 nan 0.000 0.447 399 V N 1.345 121.195 119.914 -0.106 0.000 2.278 399 V HA -0.286 3.834 4.120 0.000 0.000 0.251 399 V C 2.257 178.260 176.094 -0.152 0.000 1.062 399 V CA 2.542 64.787 62.300 -0.093 0.000 1.038 399 V CB -0.945 30.873 31.823 -0.008 0.000 0.646 399 V HN 0.921 nan 8.190 nan 0.000 0.447 400 E N -1.909 118.217 120.200 -0.122 0.000 2.451 400 E HA 0.235 4.585 4.350 0.000 0.000 0.194 400 E C 0.835 177.195 176.600 -0.401 0.000 1.027 400 E CA 0.222 56.533 56.400 -0.148 0.000 0.914 400 E CB 0.436 30.243 29.700 0.178 0.000 1.054 400 E HN 0.567 nan 8.360 nan 0.000 0.461 401 I N -1.215 118.958 120.570 -0.663 0.000 3.912 401 I HA -0.073 4.097 4.170 0.000 0.000 0.272 401 I C 1.825 177.340 176.117 -1.003 0.000 1.082 401 I CA 0.368 61.112 61.300 -0.926 0.000 1.353 401 I CB 0.346 37.854 38.000 -0.821 0.000 1.892 401 I HN -0.045 nan 8.210 nan 0.000 0.394 402 T N 0.356 114.356 114.554 -0.924 0.000 2.812 402 T HA -0.106 4.244 4.350 0.000 0.000 0.264 402 T C 1.888 176.233 174.700 -0.591 0.000 1.042 402 T CA 1.980 63.666 62.100 -0.690 0.000 1.140 402 T CB -0.165 68.363 68.868 -0.566 0.000 0.870 402 T HN 0.439 nan 8.240 nan 0.000 0.445 403 S N 0.917 116.342 115.700 -0.460 0.000 2.474 403 S HA 0.027 4.497 4.470 0.000 0.000 0.235 403 S C 1.641 176.162 174.600 -0.132 0.000 0.997 403 S CA 0.749 58.777 58.200 -0.287 0.000 0.949 403 S CB -0.291 62.814 63.200 -0.158 0.000 0.766 403 S HN 0.444 nan 8.310 nan 0.000 0.517 404 K N -0.212 119.990 120.400 -0.330 0.000 2.374 404 K HA 0.184 4.504 4.320 0.000 0.000 0.196 404 K C -0.865 175.832 176.600 0.162 0.000 1.023 404 K CA -0.200 55.984 56.287 -0.171 0.000 1.103 404 K CB -0.041 32.053 32.500 -0.678 0.000 0.848 404 K HN 0.348 nan 8.250 nan 0.000 0.528 405 Y N -0.042 120.117 120.300 -0.235 0.000 3.057 405 Y HA -0.249 4.301 4.550 0.000 0.000 0.192 405 Y C -0.391 175.620 175.900 0.186 0.000 1.448 405 Y CA 0.089 58.172 58.100 -0.028 0.000 1.065 405 Y CB -2.948 35.539 38.460 0.046 0.000 1.369 405 Y HN 0.057 nan 8.280 nan 0.000 0.460 406 F N 0.473 120.414 119.950 -0.014 0.000 2.397 406 F HA 0.373 4.900 4.527 0.000 0.000 0.331 406 F C 1.068 176.865 175.800 -0.005 0.000 1.090 406 F CA -1.201 56.793 58.000 -0.010 0.000 1.065 406 F CB 1.053 40.029 39.000 -0.041 0.000 1.184 406 F HN 0.140 nan 8.300 nan 0.000 0.499 407 N N 1.433 120.255 118.700 0.204 0.000 2.447 407 N HA 0.305 5.045 4.740 0.000 0.000 0.271 407 N C 1.339 176.937 175.510 0.146 0.000 1.226 407 N CA -0.357 52.766 53.050 0.122 0.000 0.980 407 N CB 1.304 39.832 38.487 0.069 0.000 1.206 407 N HN 0.548 nan 8.380 nan 0.000 0.558 408 I N 0.899 121.555 120.570 0.143 0.000 2.145 408 I HA -0.341 3.829 4.170 0.000 0.000 0.244 408 I C 2.240 178.435 176.117 0.130 0.000 1.075 408 I CA 1.632 63.050 61.300 0.196 0.000 1.332 408 I CB -0.413 37.752 38.000 0.275 0.000 1.033 408 I HN 0.548 nan 8.210 nan 0.000 0.410 409 A N 0.796 123.669 122.820 0.089 0.000 1.845 409 A HA -0.224 4.096 4.320 0.000 0.000 0.215 409 A C 1.931 179.479 177.584 -0.059 0.000 1.195 409 A CA 2.037 54.030 52.037 -0.074 0.000 0.616 409 A CB -0.719 18.259 19.000 -0.036 0.000 0.832 409 A HN 0.402 nan 8.150 nan 0.000 0.443 410 D N 0.236 120.617 120.400 -0.032 0.000 2.311 410 D HA -0.048 4.592 4.640 0.000 0.000 0.212 410 D C 1.909 178.086 176.300 -0.206 0.000 0.972 410 D CA 1.275 55.187 54.000 -0.147 0.000 0.887 410 D CB -0.229 40.484 40.800 -0.145 0.000 0.915 410 D HN 0.486 nan 8.370 nan 0.000 0.497 411 A N 0.522 123.408 122.820 0.110 0.000 1.871 411 A HA 0.029 4.349 4.320 0.000 0.000 0.211 411 A C 2.354 180.162 177.584 0.373 0.000 1.207 411 A CA 0.236 52.524 52.037 0.419 0.000 0.620 411 A CB -0.585 18.716 19.000 0.502 0.000 0.860 411 A HN 0.112 nan 8.150 nan 0.000 0.450 412 L N -0.065 121.232 121.223 0.124 0.000 1.989 412 L HA -0.243 4.097 4.340 0.000 0.000 0.211 412 L C 2.631 179.574 176.870 0.122 0.000 1.071 412 L CA 2.110 56.853 54.840 -0.161 0.000 0.749 412 L CB -0.614 40.950 42.059 -0.826 0.000 0.890 412 L HN 0.517 nan 8.230 nan 0.000 0.431 413 K N -0.240 120.197 120.400 0.062 0.000 2.077 413 K HA -0.331 3.989 4.320 0.000 0.000 0.213 413 K C 2.290 179.004 176.600 0.190 0.000 1.051 413 K CA 2.368 58.733 56.287 0.130 0.000 0.929 413 K CB -0.498 32.012 32.500 0.016 0.000 0.715 413 K HN 0.193 nan 8.250 nan 0.000 0.451 414 Y N 1.335 121.658 120.300 0.039 0.000 2.070 414 Y HA -0.243 4.307 4.550 0.000 0.000 0.280 414 Y C 1.939 177.953 175.900 0.191 0.000 1.148 414 Y CA 1.991 60.142 58.100 0.085 0.000 1.125 414 Y CB -0.487 38.057 38.460 0.140 0.000 0.975 414 Y HN 0.058 nan 8.280 nan 0.000 0.492 415 L N -0.143 121.232 121.223 0.253 0.000 2.127 415 L HA -0.201 4.139 4.340 0.000 0.000 0.211 415 L C 2.118 179.065 176.870 0.128 0.000 1.089 415 L CA 1.815 56.748 54.840 0.154 0.000 0.757 415 L CB -0.625 41.638 42.059 0.340 0.000 0.899 415 L HN 0.437 nan 8.230 nan 0.000 0.434 416 S N -2.941 112.928 115.700 0.281 0.000 2.582 416 S HA 0.038 4.508 4.470 0.000 0.000 0.234 416 S C 0.369 175.010 174.600 0.068 0.000 0.961 416 S CA -0.481 57.805 58.200 0.143 0.000 0.953 416 S CB -0.068 63.259 63.200 0.213 0.000 0.800 416 S HN 0.343 nan 8.310 nan 0.000 0.471 417 D N 1.692 122.112 120.400 0.034 0.000 2.702 417 D HA -0.206 4.434 4.640 0.000 0.000 0.233 417 D C 1.150 177.474 176.300 0.039 0.000 1.164 417 D CA 1.363 55.369 54.000 0.009 0.000 0.638 417 D CB -1.601 39.183 40.800 -0.028 0.000 1.041 417 D HN 0.929 nan 8.370 nan 0.000 0.422 418 G N -0.903 107.951 108.800 0.089 0.000 2.241 418 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 418 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 418 G C 0.542 175.503 174.900 0.103 0.000 0.998 418 G CA 0.505 45.657 45.100 0.087 0.000 0.621 418 G HN 1.191 nan 8.290 nan 0.000 0.519 419 A N 1.062 123.926 122.820 0.074 0.000 2.537 419 A HA 0.494 4.814 4.320 0.000 0.000 0.260 419 A C 0.718 178.337 177.584 0.058 0.000 1.082 419 A CA 0.837 52.872 52.037 -0.004 0.000 0.765 419 A CB 0.038 18.964 19.000 -0.123 0.000 1.019 419 A HN 0.507 nan 8.150 nan 0.000 0.507 420 K N 2.150 122.598 120.400 0.081 0.000 2.298 420 K HA 0.107 4.427 4.320 0.000 0.000 0.280 420 K C -0.897 175.786 176.600 0.139 0.000 1.032 420 K CA 0.114 56.539 56.287 0.229 0.000 0.958 420 K CB 0.622 33.213 32.500 0.151 0.000 0.978 420 K HN 0.771 nan 8.250 nan 0.000 0.472 421 W N 3.145 124.477 121.300 0.053 0.000 2.708 421 W HA 0.101 4.761 4.660 0.000 0.000 0.440 421 W C 0.034 176.474 176.519 -0.131 0.000 0.688 421 W CA -0.802 56.528 57.345 -0.026 0.000 2.213 421 W CB -1.124 28.335 29.460 -0.000 0.000 1.209 421 W HN 0.705 nan 8.180 nan 0.000 0.783 422 D N -1.456 118.977 120.400 0.055 0.000 2.322 422 D HA -0.229 4.411 4.640 0.000 0.000 0.210 422 D C 1.611 177.848 176.300 -0.106 0.000 0.983 422 D CA 1.818 55.807 54.000 -0.019 0.000 0.902 422 D CB -0.849 39.942 40.800 -0.015 0.000 0.905 422 D HN 0.125 nan 8.370 nan 0.000 0.483 423 T N -0.312 114.169 114.554 -0.122 0.000 2.857 423 T HA -0.022 4.328 4.350 0.000 0.000 0.266 423 T C 1.131 175.559 174.700 -0.454 0.000 1.048 423 T CA 0.198 62.190 62.100 -0.181 0.000 1.139 423 T CB -0.323 68.508 68.868 -0.061 0.000 0.874 423 T HN 0.035 nan 8.240 nan 0.000 0.455 424 V N 4.859 124.441 119.914 -0.554 0.000 2.420 424 V HA 0.099 4.219 4.120 0.000 0.000 0.274 424 V C -2.011 173.598 176.094 -0.808 0.000 1.003 424 V CA -1.307 60.410 62.300 -0.971 0.000 1.092 424 V CB -0.319 30.947 31.823 -0.928 0.000 1.002 424 V HN 0.274 nan 8.190 nan 0.000 0.473 425 P HA 0.148 nan 4.420 nan 0.000 0.269 425 P C 0.924 177.921 177.300 -0.506 0.000 1.215 425 P CA -0.376 62.373 63.100 -0.586 0.000 0.780 425 P CB 0.500 31.859 31.700 -0.568 0.000 0.898 426 M N 1.336 120.583 119.600 -0.589 0.000 2.132 426 M HA -0.147 4.333 4.480 0.000 0.000 0.263 426 M C 1.929 177.910 176.300 -0.531 0.000 1.065 426 M CA 1.882 56.856 55.300 -0.544 0.000 1.122 426 M CB -1.223 30.939 32.600 -0.729 0.000 1.365 426 M HN 0.459 nan 8.290 nan 0.000 0.411 427 Q N -1.237 118.125 119.800 -0.729 0.000 2.152 427 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 427 Q C 2.081 177.987 176.000 -0.157 0.000 0.985 427 Q CA 1.798 57.408 55.803 -0.322 0.000 0.863 427 Q CB -1.323 27.337 28.738 -0.129 0.000 0.904 427 Q HN 0.433 nan 8.270 nan 0.000 0.422 428 F N 2.332 121.929 119.950 -0.587 0.000 2.025 428 F HA -0.213 4.314 4.527 0.000 0.000 0.297 428 F C 2.064 177.731 175.800 -0.222 0.000 1.132 428 F CA 1.647 59.198 58.000 -0.748 0.000 1.191 428 F CB -0.473 38.023 39.000 -0.840 0.000 0.963 428 F HN -0.032 nan 8.300 nan 0.000 0.481 429 L N -0.117 121.046 121.223 -0.100 0.000 1.997 429 L HA -0.290 4.050 4.340 0.000 0.000 0.216 429 L C 2.286 179.168 176.870 0.019 0.000 1.074 429 L CA 1.520 56.368 54.840 0.014 0.000 0.763 429 L CB -1.340 40.870 42.059 0.251 0.000 0.890 429 L HN 0.047 nan 8.230 nan 0.000 0.434 430 V N -0.388 119.556 119.914 0.050 0.000 2.944 430 V HA -0.258 3.862 4.120 0.000 0.000 0.265 430 V C 1.755 177.909 176.094 0.101 0.000 1.125 430 V CA 1.779 64.155 62.300 0.126 0.000 1.145 430 V CB -0.738 31.136 31.823 0.084 0.000 0.725 430 V HN 0.524 nan 8.190 nan 0.000 0.510 431 E N -1.585 118.643 120.200 0.047 0.000 2.601 431 E HA 0.127 4.477 4.350 0.000 0.000 0.219 431 E C 1.634 178.185 176.600 -0.082 0.000 0.964 431 E CA 0.364 56.795 56.400 0.052 0.000 1.050 431 E CB 0.781 30.588 29.700 0.177 0.000 1.068 431 E HN 0.531 nan 8.360 nan 0.000 0.496 432 S N -0.054 115.520 115.700 -0.210 0.000 2.520 432 S HA 0.135 4.605 4.470 0.000 0.000 0.219 432 S C 0.461 174.990 174.600 -0.120 0.000 1.028 432 S CA -0.131 57.896 58.200 -0.288 0.000 0.921 432 S CB 1.270 64.023 63.200 -0.745 0.000 0.844 432 S HN -0.103 nan 8.310 nan 0.000 0.495 433 V N 4.257 124.146 119.914 -0.041 0.000 2.357 433 V HA 0.368 4.488 4.120 0.000 0.000 0.284 433 V C -2.623 173.465 176.094 -0.012 0.000 1.018 433 V CA -2.307 59.996 62.300 0.005 0.000 0.841 433 V CB 1.089 32.958 31.823 0.076 0.000 0.991 433 V HN 0.072 nan 8.190 nan 0.000 0.437 434 P HA -0.075 nan 4.420 nan 0.000 0.263 434 P C -0.270 177.024 177.300 -0.011 0.000 1.162 434 P CA 0.333 63.392 63.100 -0.069 0.000 0.758 434 P CB 0.295 31.936 31.700 -0.098 0.000 0.773 435 Q N 2.071 121.871 119.800 0.000 0.000 2.352 435 Q HA 0.155 4.495 4.340 0.000 0.000 0.260 435 Q C 0.228 176.253 176.000 0.041 0.000 0.976 435 Q CA 0.052 55.892 55.803 0.063 0.000 0.881 435 Q CB 0.418 29.187 28.738 0.051 0.000 1.235 435 Q HN 0.499 nan 8.270 nan 0.000 0.419 436 M N 1.856 121.508 119.600 0.087 0.000 2.227 436 M HA 0.057 4.537 4.480 0.000 0.000 0.349 436 M C -0.508 175.795 176.300 0.004 0.000 1.443 436 M CA 0.525 55.861 55.300 0.060 0.000 1.110 436 M CB 0.399 33.068 32.600 0.115 0.000 1.773 436 M HN 0.356 nan 8.290 nan 0.000 0.463 437 T N 6.748 121.280 114.554 -0.036 0.000 2.907 437 T HA 0.524 4.874 4.350 0.000 0.000 0.284 437 T C -2.361 172.238 174.700 -0.168 0.000 1.004 437 T CA -1.052 60.983 62.100 -0.108 0.000 1.063 437 T CB 1.217 70.066 68.868 -0.032 0.000 0.992 437 T HN 0.469 nan 8.240 nan 0.000 0.483 438 P HA 0.272 nan 4.420 nan 0.000 0.272 438 P C -0.356 176.748 177.300 -0.327 0.000 1.254 438 P CA -0.517 62.299 63.100 -0.474 0.000 0.795 438 P CB 0.556 31.753 31.700 -0.839 0.000 1.022 439 R N 0.390 120.703 120.500 -0.311 0.000 2.711 439 R HA 0.484 4.824 4.340 0.000 0.000 0.284 439 R C -0.794 175.263 176.300 -0.405 0.000 0.968 439 R CA -0.670 55.333 56.100 -0.163 0.000 0.924 439 R CB 0.720 31.096 30.300 0.126 0.000 1.162 439 R HN 0.477 nan 8.270 nan 0.000 0.465 440 Y N 0.938 121.115 120.300 -0.206 0.000 2.387 440 Y HA 0.455 5.005 4.550 0.000 0.000 0.336 440 Y C -0.385 175.267 175.900 -0.414 0.000 1.067 440 Y CA -0.640 57.364 58.100 -0.160 0.000 1.114 440 Y CB 1.270 39.617 38.460 -0.190 0.000 1.208 440 Y HN 0.359 nan 8.280 nan 0.000 0.458 441 Y N -0.460 119.794 120.300 -0.078 0.000 2.477 441 Y HA 0.434 4.984 4.550 0.000 0.000 0.347 441 Y C -0.103 175.741 175.900 -0.093 0.000 0.981 441 Y CA -1.520 56.488 58.100 -0.153 0.000 1.033 441 Y CB 1.995 40.375 38.460 -0.133 0.000 1.245 441 Y HN 0.462 nan 8.280 nan 0.000 0.455 442 S N 3.359 119.027 115.700 -0.054 0.000 2.531 442 S HA 0.327 4.797 4.470 0.000 0.000 0.279 442 S C 0.043 174.593 174.600 -0.084 0.000 1.305 442 S CA -0.498 57.610 58.200 -0.154 0.000 1.058 442 S CB 0.036 63.156 63.200 -0.133 0.000 0.899 442 S HN 0.435 nan 8.310 nan 0.000 0.493 443 I N 3.512 123.987 120.570 -0.158 0.000 2.406 443 I HA -0.006 4.164 4.170 0.000 0.000 0.293 443 I C 1.422 177.481 176.117 -0.096 0.000 1.101 443 I CA -0.200 61.010 61.300 -0.151 0.000 1.334 443 I CB 0.658 38.458 38.000 -0.334 0.000 1.421 443 I HN 0.800 nan 8.210 nan 0.000 0.513 444 S N 2.764 118.452 115.700 -0.020 0.000 2.522 444 S HA -0.030 4.440 4.470 0.000 0.000 0.227 444 S C 0.796 175.358 174.600 -0.064 0.000 0.986 444 S CA -0.246 57.956 58.200 0.002 0.000 0.929 444 S CB -0.289 62.961 63.200 0.083 0.000 0.769 444 S HN 0.670 nan 8.310 nan 0.000 0.529 445 S N 1.978 117.613 115.700 -0.107 0.000 2.578 445 S HA 0.627 5.097 4.470 0.000 0.000 0.283 445 S C 0.076 174.641 174.600 -0.057 0.000 1.195 445 S CA -0.476 57.585 58.200 -0.230 0.000 1.050 445 S CB 1.461 64.428 63.200 -0.390 0.000 1.012 445 S HN 0.471 nan 8.310 nan 0.000 0.511 446 S N 1.524 117.213 115.700 -0.018 0.000 2.600 446 S HA 0.271 4.741 4.470 0.000 0.000 0.265 446 S C 1.152 175.905 174.600 0.255 0.000 1.325 446 S CA 0.010 58.258 58.200 0.081 0.000 1.002 446 S CB 0.688 63.898 63.200 0.018 0.000 0.921 446 S HN 1.134 nan 8.310 nan 0.000 0.554 447 S N 1.717 117.576 115.700 0.264 0.000 2.427 447 S HA -0.005 4.465 4.470 0.000 0.000 0.224 447 S C 1.754 176.346 174.600 -0.014 0.000 1.047 447 S CA 0.379 58.662 58.200 0.139 0.000 0.953 447 S CB -0.871 62.395 63.200 0.110 0.000 0.824 447 S HN 0.593 nan 8.310 nan 0.000 0.502 448 L N 3.309 124.539 121.223 0.012 0.000 2.017 448 L HA 0.019 4.359 4.340 0.000 0.000 0.208 448 L C 2.516 179.391 176.870 0.009 0.000 1.073 448 L CA 2.377 57.219 54.840 0.003 0.000 0.745 448 L CB -1.136 40.935 42.059 0.020 0.000 0.894 448 L HN 0.588 nan 8.230 nan 0.000 0.432 449 S N -2.081 113.631 115.700 0.020 0.000 2.562 449 S HA 0.072 4.542 4.470 0.000 0.000 0.221 449 S C 0.664 175.274 174.600 0.016 0.000 0.975 449 S CA 0.426 58.639 58.200 0.020 0.000 0.918 449 S CB -0.174 63.042 63.200 0.026 0.000 0.772 449 S HN 0.595 nan 8.310 nan 0.000 0.531 450 E N 0.176 120.386 120.200 0.017 0.000 3.956 450 E HA 0.238 4.588 4.350 0.000 0.000 0.177 450 E C 0.492 177.088 176.600 -0.007 0.000 1.028 450 E CA -0.220 56.200 56.400 0.035 0.000 1.463 450 E CB 0.449 30.183 29.700 0.056 0.000 1.145 450 E HN 0.303 nan 8.360 nan 0.000 0.423 451 K N 0.847 121.188 120.400 -0.099 0.000 2.144 451 K HA -0.287 4.033 4.320 0.000 0.000 0.209 451 K C 1.383 177.815 176.600 -0.279 0.000 1.047 451 K CA 1.597 57.729 56.287 -0.259 0.000 0.927 451 K CB 0.235 32.631 32.500 -0.175 0.000 0.716 451 K HN 0.106 nan 8.250 nan 0.000 0.454 452 Q N -0.308 119.429 119.800 -0.105 0.000 2.398 452 Q HA 0.054 4.394 4.340 0.000 0.000 0.204 452 Q C 0.136 176.166 176.000 0.050 0.000 0.932 452 Q CA 0.660 56.432 55.803 -0.050 0.000 0.916 452 Q CB 0.963 29.692 28.738 -0.015 0.000 1.024 452 Q HN 0.208 nan 8.270 nan 0.000 0.504 453 T N 0.308 114.941 114.554 0.132 0.000 2.885 453 T HA 0.565 4.915 4.350 0.000 0.000 0.285 453 T C -0.474 174.515 174.700 0.481 0.000 1.019 453 T CA -0.527 61.733 62.100 0.266 0.000 1.010 453 T CB 2.429 71.449 68.868 0.253 0.000 1.022 453 T HN -0.255 nan 8.240 nan 0.000 0.466 454 V N 2.714 122.900 119.914 0.454 0.000 2.495 454 V HA 0.441 4.561 4.120 0.000 0.000 0.298 454 V C -0.784 175.523 176.094 0.355 0.000 1.031 454 V CA -0.971 61.567 62.300 0.396 0.000 0.871 454 V CB 1.275 33.254 31.823 0.260 0.000 0.988 454 V HN 0.817 nan 8.190 nan 0.000 0.432 455 H N 2.212 121.285 119.070 0.004 0.000 2.463 455 H HA 0.732 5.288 4.556 0.000 0.000 0.332 455 H C -0.552 174.709 175.328 -0.111 0.000 1.127 455 H CA -0.789 55.190 56.048 -0.115 0.000 1.238 455 H CB 1.927 31.638 29.762 -0.086 0.000 1.478 455 H HN 0.396 nan 8.280 nan 0.000 0.499 456 V N 3.641 123.485 119.914 -0.117 0.000 2.439 456 V HA 0.148 4.268 4.120 0.000 0.000 0.277 456 V C -0.346 175.714 176.094 -0.056 0.000 1.008 456 V CA -0.712 61.569 62.300 -0.032 0.000 0.846 456 V CB 1.399 33.249 31.823 0.046 0.000 1.031 456 V HN 0.857 nan 8.190 nan 0.000 0.441 457 T N 3.730 118.341 114.554 0.095 0.000 2.737 457 T HA 0.407 4.757 4.350 0.000 0.000 0.296 457 T C 0.194 175.006 174.700 0.186 0.000 0.922 457 T CA -0.149 62.065 62.100 0.190 0.000 1.079 457 T CB 0.630 69.728 68.868 0.384 0.000 0.892 457 T HN 0.781 nan 8.240 nan 0.000 0.514 458 S N 3.794 119.560 115.700 0.111 0.000 2.779 458 S HA 0.485 4.955 4.470 0.000 0.000 0.293 458 S C -0.271 174.383 174.600 0.090 0.000 1.150 458 S CA -0.997 57.312 58.200 0.182 0.000 1.057 458 S CB 0.613 63.873 63.200 0.101 0.000 1.021 458 S HN 0.783 nan 8.310 nan 0.000 0.485 459 I N 3.454 124.107 120.570 0.138 0.000 2.754 459 I HA 0.273 4.443 4.170 0.000 0.000 0.285 459 I C -0.597 175.573 176.117 0.089 0.000 1.166 459 I CA -0.406 60.938 61.300 0.074 0.000 1.417 459 I CB 0.737 38.871 38.000 0.224 0.000 1.382 459 I HN 0.542 nan 8.210 nan 0.000 0.588 460 V N 7.459 127.399 119.914 0.043 0.000 2.385 460 V HA 0.206 4.326 4.120 0.000 0.000 0.269 460 V C 0.093 176.261 176.094 0.122 0.000 1.043 460 V CA -0.623 61.716 62.300 0.065 0.000 0.906 460 V CB 0.866 32.702 31.823 0.022 0.000 0.995 460 V HN 0.628 nan 8.190 nan 0.000 0.467 461 E N 4.611 124.889 120.200 0.130 0.000 2.223 461 E HA 0.296 4.646 4.350 0.000 0.000 0.282 461 E C -0.344 176.295 176.600 0.064 0.000 1.046 461 E CA -0.035 56.460 56.400 0.159 0.000 0.857 461 E CB 1.131 30.926 29.700 0.158 0.000 1.055 461 E HN 0.729 nan 8.360 nan 0.000 0.409 462 N N 3.556 122.302 118.700 0.076 0.000 3.429 462 N HA 0.121 4.861 4.740 0.000 0.000 0.221 462 N C -1.883 173.658 175.510 0.051 0.000 1.195 462 N CA -0.420 52.594 53.050 -0.060 0.000 0.938 462 N CB 0.074 38.561 38.487 -0.001 0.000 1.609 462 N HN 0.289 nan 8.380 nan 0.000 0.704 463 F N 0.463 120.424 119.950 0.018 0.000 2.613 463 F HA 0.870 5.397 4.527 0.000 0.000 0.314 463 F C -2.772 173.001 175.800 -0.045 0.000 1.075 463 F CA -2.482 55.514 58.000 -0.005 0.000 0.945 463 F CB 0.564 39.562 39.000 -0.004 0.000 1.310 463 F HN 0.095 nan 8.300 nan 0.000 0.467 464 P HA 0.044 nan 4.420 nan 0.000 0.269 464 P C -0.674 176.645 177.300 0.032 0.000 1.215 464 P CA -0.280 62.859 63.100 0.066 0.000 0.780 464 P CB 0.501 32.236 31.700 0.060 0.000 0.898 465 N N 3.652 122.313 118.700 -0.066 0.000 2.406 465 N HA 0.031 4.771 4.740 0.000 0.000 0.265 465 N C -1.592 173.841 175.510 -0.129 0.000 1.203 465 N CA -1.517 51.425 53.050 -0.180 0.000 0.945 465 N CB 0.123 38.552 38.487 -0.095 0.000 1.165 465 N HN 0.149 nan 8.380 nan 0.000 0.485 466 P HA -0.181 nan 4.420 nan 0.000 0.217 466 P C 1.009 178.301 177.300 -0.014 0.000 1.162 466 P CA 1.340 64.399 63.100 -0.069 0.000 0.901 466 P CB 0.429 32.097 31.700 -0.053 0.000 0.793 467 E N -0.422 119.785 120.200 0.011 0.000 2.001 467 E HA -0.046 4.304 4.350 0.000 0.000 0.193 467 E C 1.078 177.708 176.600 0.049 0.000 0.994 467 E CA 0.864 57.293 56.400 0.049 0.000 0.815 467 E CB -0.798 28.951 29.700 0.082 0.000 0.770 467 E HN 0.277 nan 8.360 nan 0.000 0.453 468 L N 2.811 124.073 121.223 0.064 0.000 2.387 468 L HA 0.126 4.466 4.340 0.000 0.000 0.267 468 L C -1.742 175.156 176.870 0.045 0.000 1.197 468 L CA -1.389 53.496 54.840 0.076 0.000 1.070 468 L CB 0.355 42.491 42.059 0.128 0.000 1.349 468 L HN -0.063 nan 8.230 nan 0.000 0.422 469 P HA -0.227 nan 4.420 nan 0.000 0.214 469 P C 0.009 177.325 177.300 0.026 0.000 1.172 469 P CA 1.405 64.520 63.100 0.025 0.000 0.925 469 P CB 0.023 31.739 31.700 0.027 0.000 0.793 470 D N -0.525 119.894 120.400 0.032 0.000 2.848 470 D HA 0.346 4.986 4.640 0.000 0.000 0.232 470 D C 0.003 176.321 176.300 0.030 0.000 1.107 470 D CA 0.168 54.186 54.000 0.029 0.000 1.020 470 D CB -0.792 40.028 40.800 0.033 0.000 1.148 470 D HN 0.138 nan 8.370 nan 0.000 0.453 471 A N 1.122 123.957 122.820 0.024 0.000 2.515 471 A HA 0.633 4.953 4.320 0.000 0.000 0.298 471 A C -2.636 174.951 177.584 0.004 0.000 1.059 471 A CA -1.661 50.389 52.037 0.023 0.000 0.698 471 A CB 1.038 20.068 19.000 0.050 0.000 1.289 471 A HN 0.024 nan 8.150 nan 0.000 0.404 472 P HA 0.278 nan 4.420 nan 0.000 0.269 472 P C -2.533 174.742 177.300 -0.041 0.000 1.211 472 P CA -0.291 62.797 63.100 -0.021 0.000 0.781 472 P CB -0.179 31.506 31.700 -0.025 0.000 0.877 473 P HA 0.052 nan 4.420 nan 0.000 0.276 473 P C -0.797 176.393 177.300 -0.184 0.000 1.230 473 P CA -0.151 62.883 63.100 -0.111 0.000 0.776 473 P CB 0.339 31.988 31.700 -0.085 0.000 0.888 474 V N 4.638 124.360 119.914 -0.320 0.000 2.441 474 V HA 0.022 4.142 4.120 0.000 0.000 0.279 474 V C 0.787 176.602 176.094 -0.466 0.000 0.990 474 V CA 0.276 62.336 62.300 -0.400 0.000 1.116 474 V CB -0.702 30.709 31.823 -0.687 0.000 0.977 474 V HN 0.365 nan 8.190 nan 0.000 0.470 475 V N 2.902 122.680 119.914 -0.226 0.000 2.513 475 V HA 0.981 5.101 4.120 0.000 0.000 0.299 475 V C 0.565 176.619 176.094 -0.066 0.000 1.035 475 V CA -0.322 61.887 62.300 -0.152 0.000 0.889 475 V CB 1.450 33.228 31.823 -0.075 0.000 0.988 475 V HN 0.734 nan 8.190 nan 0.000 0.440 476 G N 2.308 111.095 108.800 -0.022 0.000 2.476 476 G HA2 0.479 4.439 3.960 0.000 0.000 0.269 476 G HA3 0.479 4.439 3.960 0.000 0.000 0.269 476 G C 0.455 175.406 174.900 0.086 0.000 1.195 476 G CA -0.028 45.097 45.100 0.043 0.000 0.843 476 G HN 0.895 nan 8.290 nan 0.000 0.545 477 V N 1.235 121.214 119.914 0.108 0.000 2.300 477 V HA -0.099 4.021 4.120 0.000 0.000 0.233 477 V C 3.018 179.190 176.094 0.130 0.000 1.052 477 V CA 2.140 64.546 62.300 0.177 0.000 1.026 477 V CB -1.323 30.598 31.823 0.164 0.000 0.661 477 V HN 0.748 nan 8.190 nan 0.000 0.470 478 T N 1.141 115.750 114.554 0.092 0.000 2.751 478 T HA -0.269 4.081 4.350 0.000 0.000 0.268 478 T C 1.861 176.552 174.700 -0.015 0.000 1.045 478 T CA 2.374 64.493 62.100 0.031 0.000 1.142 478 T CB -0.639 68.291 68.868 0.103 0.000 0.851 478 T HN 0.832 nan 8.240 nan 0.000 0.474 479 T N 1.372 115.958 114.554 0.053 0.000 2.668 479 T HA -0.088 4.262 4.350 0.000 0.000 0.258 479 T C 1.915 176.588 174.700 -0.044 0.000 1.051 479 T CA 0.986 63.106 62.100 0.033 0.000 1.155 479 T CB -0.514 68.410 68.868 0.094 0.000 0.864 479 T HN 0.248 nan 8.240 nan 0.000 0.413 480 N N 1.494 120.189 118.700 -0.009 0.000 2.205 480 N HA -0.063 4.677 4.740 0.000 0.000 0.186 480 N C 1.853 177.226 175.510 -0.229 0.000 1.015 480 N CA 0.987 54.027 53.050 -0.018 0.000 0.862 480 N CB -0.506 38.060 38.487 0.132 0.000 0.986 480 N HN 0.230 nan 8.380 nan 0.000 0.429 481 L N 1.819 122.689 121.223 -0.588 0.000 1.989 481 L HA -0.109 4.231 4.340 0.000 0.000 0.211 481 L C 2.146 178.744 176.870 -0.453 0.000 1.071 481 L CA 1.394 55.566 54.840 -1.114 0.000 0.749 481 L CB -1.114 40.362 42.059 -0.972 0.000 0.890 481 L HN 0.100 nan 8.230 nan 0.000 0.431 482 L N -0.741 120.316 121.223 -0.278 0.000 2.043 482 L HA -0.277 4.063 4.340 0.000 0.000 0.212 482 L C 2.759 179.546 176.870 -0.139 0.000 1.075 482 L CA 1.828 56.562 54.840 -0.175 0.000 0.752 482 L CB -0.615 41.345 42.059 -0.164 0.000 0.891 482 L HN 0.323 nan 8.230 nan 0.000 0.432 483 R N 0.452 120.878 120.500 -0.124 0.000 2.080 483 R HA -0.212 4.128 4.340 0.000 0.000 0.236 483 R C 2.324 178.598 176.300 -0.043 0.000 1.137 483 R CA 1.851 57.906 56.100 -0.076 0.000 0.943 483 R CB -0.393 29.878 30.300 -0.049 0.000 0.846 483 R HN 0.275 nan 8.270 nan 0.000 0.431 484 N N 0.638 119.314 118.700 -0.039 0.000 2.021 484 N HA -0.210 4.530 4.740 0.000 0.000 0.198 484 N C 1.760 177.306 175.510 0.061 0.000 1.041 484 N CA 2.306 55.384 53.050 0.047 0.000 0.862 484 N CB -0.284 38.262 38.487 0.098 0.000 1.048 484 N HN 0.317 nan 8.380 nan 0.000 0.427 485 I N 1.023 121.611 120.570 0.029 0.000 2.087 485 I HA -0.339 3.831 4.170 0.000 0.000 0.240 485 I C 2.671 178.808 176.117 0.033 0.000 1.054 485 I CA 1.445 62.819 61.300 0.124 0.000 1.311 485 I CB -0.640 37.394 38.000 0.056 0.000 1.024 485 I HN 0.298 nan 8.210 nan 0.000 0.402 486 Q N 1.374 121.139 119.800 -0.058 0.000 2.029 486 Q HA -0.241 4.099 4.340 0.000 0.000 0.209 486 Q C 2.380 178.333 176.000 -0.078 0.000 0.999 486 Q CA 2.127 57.867 55.803 -0.106 0.000 0.857 486 Q CB -0.562 28.115 28.738 -0.102 0.000 0.926 486 Q HN 0.543 nan 8.270 nan 0.000 0.415 487 L N 0.087 121.294 121.223 -0.027 0.000 1.978 487 L HA -0.295 4.045 4.340 0.000 0.000 0.218 487 L C 2.619 179.496 176.870 0.012 0.000 1.075 487 L CA 1.690 56.531 54.840 0.000 0.000 0.767 487 L CB -0.789 41.292 42.059 0.037 0.000 0.890 487 L HN 0.302 nan 8.230 nan 0.000 0.434 488 A N -0.659 122.203 122.820 0.069 0.000 1.851 488 A HA -0.339 3.981 4.320 0.000 0.000 0.216 488 A C 2.183 179.772 177.584 0.007 0.000 1.195 488 A CA 2.091 54.212 52.037 0.139 0.000 0.622 488 A CB -0.890 18.310 19.000 0.333 0.000 0.831 488 A HN 0.531 nan 8.150 nan 0.000 0.444 489 Q N -0.337 119.305 119.800 -0.262 0.000 2.156 489 Q HA -0.252 4.088 4.340 0.000 0.000 0.211 489 Q C 0.341 176.140 176.000 -0.335 0.000 0.995 489 Q CA 2.127 57.490 55.803 -0.732 0.000 0.877 489 Q CB -0.231 28.029 28.738 -0.797 0.000 0.920 489 Q HN 0.646 nan 8.270 nan 0.000 0.416 490 N N 1.201 119.785 118.700 -0.193 0.000 2.389 490 N HA 0.086 4.826 4.740 0.000 0.000 0.237 490 N C -1.255 174.215 175.510 -0.065 0.000 1.148 490 N CA 0.109 53.086 53.050 -0.120 0.000 0.854 490 N CB -0.046 38.381 38.487 -0.100 0.000 1.115 490 N HN 0.267 nan 8.380 nan 0.000 0.492 491 N N -0.705 117.965 118.700 -0.049 0.000 2.666 491 N HA -0.172 4.568 4.740 0.000 0.000 0.274 491 N C -1.314 174.195 175.510 -0.001 0.000 1.043 491 N CA 0.453 53.498 53.050 -0.009 0.000 0.782 491 N CB -0.706 37.775 38.487 -0.010 0.000 0.912 491 N HN 0.007 nan 8.380 nan 0.000 0.556 492 V N 0.371 120.291 119.914 0.009 0.000 2.667 492 V HA 0.335 4.455 4.120 0.000 0.000 0.308 492 V C 0.659 176.771 176.094 0.028 0.000 1.048 492 V CA -1.003 61.305 62.300 0.014 0.000 0.928 492 V CB 1.957 33.787 31.823 0.011 0.000 1.004 492 V HN 0.451 nan 8.190 nan 0.000 0.444 493 N N 3.183 121.899 118.700 0.026 0.000 2.605 493 N HA 0.139 4.879 4.740 0.000 0.000 0.282 493 N C 0.964 176.499 175.510 0.043 0.000 1.206 493 N CA 0.220 53.288 53.050 0.029 0.000 1.074 493 N CB -0.199 38.301 38.487 0.022 0.000 1.434 493 N HN 0.673 nan 8.380 nan 0.000 0.506 494 I N 1.297 121.902 120.570 0.058 0.000 2.315 494 I HA -0.334 3.836 4.170 0.000 0.000 0.251 494 I C 2.069 178.245 176.117 0.098 0.000 1.125 494 I CA 1.178 62.533 61.300 0.092 0.000 1.392 494 I CB -0.264 37.814 38.000 0.130 0.000 1.065 494 I HN 0.523 nan 8.210 nan 0.000 0.424 495 A N 0.285 123.141 122.820 0.059 0.000 2.024 495 A HA -0.249 4.071 4.320 0.000 0.000 0.220 495 A C 2.211 179.826 177.584 0.050 0.000 1.164 495 A CA 2.096 54.160 52.037 0.045 0.000 0.643 495 A CB -0.379 18.630 19.000 0.014 0.000 0.806 495 A HN 0.428 nan 8.150 nan 0.000 0.451 496 E N 0.092 120.319 120.200 0.045 0.000 2.340 496 E HA 0.017 4.367 4.350 0.000 0.000 0.194 496 E C 1.354 177.980 176.600 0.044 0.000 0.996 496 E CA 0.827 57.250 56.400 0.039 0.000 0.869 496 E CB -0.449 29.269 29.700 0.029 0.000 0.835 496 E HN 0.640 nan 8.360 nan 0.000 0.493 497 T N -0.348 114.238 114.554 0.054 0.000 2.732 497 T HA -0.062 4.288 4.350 0.000 0.000 0.365 497 T C 1.016 175.748 174.700 0.054 0.000 1.077 497 T CA 0.293 62.424 62.100 0.052 0.000 1.044 497 T CB 0.066 68.968 68.868 0.057 0.000 1.220 497 T HN 0.231 nan 8.240 nan 0.000 0.517 498 N N -0.780 117.948 118.700 0.047 0.000 2.177 498 N HA 0.075 4.815 4.740 0.000 0.000 0.218 498 N C 0.076 175.602 175.510 0.027 0.000 1.182 498 N CA -0.480 52.594 53.050 0.040 0.000 0.882 498 N CB -0.625 37.885 38.487 0.039 0.000 1.052 498 N HN 0.488 nan 8.380 nan 0.000 0.519 499 L N 2.475 123.713 121.223 0.025 0.000 2.678 499 L HA 0.080 4.420 4.340 0.000 0.000 0.285 499 L C -1.375 175.442 176.870 -0.089 0.000 1.233 499 L CA -0.458 54.368 54.840 -0.023 0.000 0.920 499 L CB 0.306 42.356 42.059 -0.015 0.000 1.176 499 L HN -0.011 nan 8.230 nan 0.000 0.495 500 P HA 0.006 nan 4.420 nan 0.000 0.218 500 P C -0.599 176.578 177.300 -0.204 0.000 1.152 500 P CA 0.883 63.918 63.100 -0.108 0.000 0.826 500 P CB 0.202 31.862 31.700 -0.066 0.000 0.790 501 V N -5.164 114.570 119.914 -0.300 0.000 3.160 501 V HA 0.583 4.703 4.120 0.000 0.000 0.310 501 V C -1.029 174.704 176.094 -0.602 0.000 1.181 501 V CA -1.002 61.062 62.300 -0.393 0.000 1.047 501 V CB 2.253 33.907 31.823 -0.281 0.000 1.068 501 V HN -0.033 nan 8.190 nan 0.000 0.441 502 H N 0.198 119.191 119.070 -0.129 0.000 2.768 502 H HA 0.688 5.244 4.556 0.000 0.000 0.371 502 H C -1.707 173.534 175.328 -0.144 0.000 1.151 502 H CA -0.188 55.867 56.048 0.011 0.000 1.165 502 H CB 2.165 31.935 29.762 0.013 0.000 1.722 502 H HN 0.752 nan 8.280 nan 0.000 0.543 503 Y N -0.502 119.872 120.300 0.123 0.000 2.630 503 Y HA 0.088 4.638 4.550 0.000 0.000 0.337 503 Y C 0.686 176.631 175.900 0.075 0.000 1.051 503 Y CA -1.157 56.992 58.100 0.082 0.000 1.121 503 Y CB 0.940 39.445 38.460 0.074 0.000 1.299 503 Y HN 0.507 nan 8.280 nan 0.000 0.498 504 D N 1.752 122.292 120.400 0.232 0.000 2.551 504 D HA 0.098 4.738 4.640 0.000 0.000 0.223 504 D C 0.764 177.169 176.300 0.175 0.000 1.144 504 D CA 0.306 54.392 54.000 0.144 0.000 1.025 504 D CB -0.013 40.847 40.800 0.102 0.000 1.085 504 D HN 0.627 nan 8.370 nan 0.000 0.506 505 L N 1.827 123.126 121.223 0.128 0.000 2.261 505 L HA -0.171 4.169 4.340 0.000 0.000 0.216 505 L C 1.975 178.873 176.870 0.047 0.000 1.114 505 L CA 0.525 55.407 54.840 0.071 0.000 0.777 505 L CB -0.346 41.683 42.059 -0.049 0.000 0.910 505 L HN 0.281 nan 8.230 nan 0.000 0.440 506 N N 0.106 118.814 118.700 0.014 0.000 2.171 506 N HA -0.008 4.732 4.740 0.000 0.000 0.184 506 N C 1.218 176.678 175.510 -0.083 0.000 1.021 506 N CA 1.139 54.167 53.050 -0.036 0.000 0.854 506 N CB 0.040 38.489 38.487 -0.064 0.000 0.994 506 N HN 0.396 nan 8.380 nan 0.000 0.426 507 G N 0.605 109.315 108.800 -0.149 0.000 2.681 507 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 507 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 507 G C -2.776 171.752 174.900 -0.620 0.000 1.353 507 G CA -0.865 43.824 45.100 -0.686 0.000 0.872 507 G HN 0.080 nan 8.290 nan 0.000 0.557 508 P HA 0.408 nan 4.420 nan 0.000 0.263 508 P C 0.222 177.311 177.300 -0.352 0.000 1.247 508 P CA 0.328 63.114 63.100 -0.524 0.000 0.876 508 P CB -0.075 31.264 31.700 -0.601 0.000 0.928 509 R N 3.181 123.547 120.500 -0.224 0.000 3.152 509 R HA -0.219 4.121 4.340 0.000 0.000 0.252 509 R C -0.124 176.084 176.300 -0.154 0.000 0.930 509 R CA 0.160 56.168 56.100 -0.154 0.000 0.642 509 R CB -1.906 28.318 30.300 -0.125 0.000 1.205 509 R HN 0.496 nan 8.270 nan 0.000 0.452 510 K N -0.120 120.186 120.400 -0.158 0.000 3.356 510 K HA -0.247 4.073 4.320 0.000 0.000 0.270 510 K C 0.999 177.532 176.600 -0.111 0.000 0.901 510 K CA 0.911 57.125 56.287 -0.123 0.000 0.688 510 K CB -0.575 31.878 32.500 -0.079 0.000 1.460 510 K HN 0.540 nan 8.250 nan 0.000 0.458 511 L N -0.668 120.440 121.223 -0.190 0.000 2.416 511 L HA 0.091 4.431 4.340 0.000 0.000 0.216 511 L C 0.951 177.912 176.870 0.151 0.000 1.098 511 L CA 0.670 55.453 54.840 -0.095 0.000 0.840 511 L CB 0.239 42.172 42.059 -0.209 0.000 0.981 511 L HN 0.324 nan 8.230 nan 0.000 0.462 512 F N 0.563 120.445 119.950 -0.113 0.000 2.819 512 F HA 0.302 4.829 4.527 0.000 0.000 0.294 512 F C 1.011 176.735 175.800 -0.127 0.000 1.166 512 F CA -0.922 57.010 58.000 -0.113 0.000 1.374 512 F CB 0.133 39.073 39.000 -0.099 0.000 0.956 512 F HN 0.045 nan 8.300 nan 0.000 0.509 513 A N 0.716 123.568 122.820 0.053 0.000 2.388 513 A HA 0.320 4.640 4.320 0.000 0.000 0.257 513 A C 0.647 178.215 177.584 -0.028 0.000 1.095 513 A CA -0.232 51.783 52.037 -0.037 0.000 0.791 513 A CB 0.123 19.101 19.000 -0.036 0.000 1.029 513 A HN 0.578 nan 8.150 nan 0.000 0.489 514 N N 0.214 118.874 118.700 -0.067 0.000 2.929 514 N HA -0.167 4.573 4.740 0.000 0.000 0.246 514 N C -1.104 174.501 175.510 0.159 0.000 1.111 514 N CA 1.132 54.227 53.050 0.074 0.000 0.679 514 N CB -2.149 36.379 38.487 0.067 0.000 1.008 514 N HN 0.792 nan 8.380 nan 0.000 0.559 515 Y N -1.378 118.920 120.300 -0.003 0.000 2.984 515 Y HA -0.340 4.210 4.550 0.000 0.000 0.193 515 Y C 0.790 176.665 175.900 -0.042 0.000 1.413 515 Y CA 1.079 59.164 58.100 -0.025 0.000 0.832 515 Y CB -1.428 36.999 38.460 -0.055 0.000 1.314 515 Y HN 0.208 nan 8.280 nan 0.000 0.386 516 K N 1.629 122.040 120.400 0.018 0.000 2.281 516 K HA 0.925 5.245 4.320 0.000 0.000 0.242 516 K C -0.465 175.964 176.600 -0.284 0.000 0.971 516 K CA -1.069 55.179 56.287 -0.065 0.000 0.834 516 K CB 2.583 35.041 32.500 -0.071 0.000 1.181 516 K HN 0.196 nan 8.250 nan 0.000 0.435 517 L N 1.185 122.187 121.223 -0.368 0.000 2.540 517 L HA 0.441 4.781 4.340 0.000 0.000 0.256 517 L C -2.707 173.808 176.870 -0.593 0.000 1.001 517 L CA -2.373 52.088 54.840 -0.632 0.000 0.843 517 L CB 2.867 44.720 42.059 -0.343 0.000 1.436 517 L HN 0.364 nan 8.230 nan 0.000 0.410 518 P HA 0.335 nan 4.420 nan 0.000 0.276 518 P C -1.200 175.752 177.300 -0.579 0.000 1.235 518 P CA -0.181 62.528 63.100 -0.651 0.000 0.772 518 P CB 1.244 32.504 31.700 -0.734 0.000 0.871 519 V N 3.132 122.760 119.914 -0.476 0.000 3.216 519 V HA 0.548 4.668 4.120 0.000 0.000 0.302 519 V C -0.647 175.471 176.094 0.040 0.000 1.286 519 V CA -0.558 61.607 62.300 -0.226 0.000 1.048 519 V CB 2.490 34.067 31.823 -0.411 0.000 1.081 519 V HN 0.827 nan 8.190 nan 0.000 0.442 520 H N -0.184 118.945 119.070 0.100 0.000 3.003 520 H HA 0.772 5.328 4.556 0.000 0.000 0.327 520 H C -2.215 173.200 175.328 0.145 0.000 1.353 520 H CA -0.721 55.428 56.048 0.169 0.000 1.142 520 H CB 1.648 31.594 29.762 0.307 0.000 1.864 520 H HN 0.376 nan 8.280 nan 0.000 0.529 521 V N 1.780 121.858 119.914 0.273 0.000 2.459 521 V HA 0.369 4.489 4.120 0.000 0.000 0.295 521 V C 0.257 176.536 176.094 0.307 0.000 1.029 521 V CA -0.742 61.680 62.300 0.202 0.000 0.874 521 V CB 1.351 33.290 31.823 0.192 0.000 0.985 521 V HN 0.638 nan 8.190 nan 0.000 0.438 522 R N 3.472 124.144 120.500 0.287 0.000 2.229 522 R HA 0.392 4.732 4.340 0.000 0.000 0.328 522 R C 0.064 176.525 176.300 0.267 0.000 1.009 522 R CA -0.370 55.912 56.100 0.304 0.000 0.864 522 R CB 0.576 31.067 30.300 0.319 0.000 1.085 522 R HN 0.746 nan 8.270 nan 0.000 0.453 523 R N 2.228 122.860 120.500 0.219 0.000 2.643 523 R HA 0.225 4.565 4.340 0.000 0.000 0.270 523 R C -0.637 175.793 176.300 0.218 0.000 1.061 523 R CA 0.360 56.580 56.100 0.200 0.000 1.107 523 R CB 0.476 30.869 30.300 0.154 0.000 0.999 523 R HN 0.924 nan 8.270 nan 0.000 0.460 524 S N 1.367 117.214 115.700 0.245 0.000 2.794 524 S HA 0.348 4.818 4.470 0.000 0.000 0.299 524 S C -0.414 174.338 174.600 0.254 0.000 1.179 524 S CA -1.054 57.315 58.200 0.280 0.000 0.838 524 S CB 1.580 65.061 63.200 0.468 0.000 1.206 524 S HN 0.711 nan 8.310 nan 0.000 0.523 525 N N -0.202 118.667 118.700 0.283 0.000 2.275 525 N HA 0.265 5.005 4.740 0.000 0.000 0.236 525 N C -1.459 174.271 175.510 0.367 0.000 1.154 525 N CA 0.004 53.210 53.050 0.260 0.000 0.866 525 N CB 0.175 38.778 38.487 0.195 0.000 1.093 525 N HN 0.515 nan 8.380 nan 0.000 0.515 526 F N 2.859 122.952 119.950 0.239 0.000 2.423 526 F HA 0.297 4.824 4.527 0.000 0.000 0.356 526 F C 0.024 176.056 175.800 0.386 0.000 1.170 526 F CA -0.451 57.746 58.000 0.327 0.000 1.163 526 F CB 0.096 39.280 39.000 0.307 0.000 1.318 526 F HN -0.274 nan 8.300 nan 0.000 0.569 527 R N 5.075 125.740 120.500 0.274 0.000 2.574 527 R HA 0.370 4.710 4.340 0.000 0.000 0.288 527 R C -0.965 175.368 176.300 0.055 0.000 1.004 527 R CA -1.167 54.999 56.100 0.110 0.000 0.895 527 R CB 1.624 31.952 30.300 0.046 0.000 1.191 527 R HN 0.416 nan 8.270 nan 0.000 0.444 528 L N 3.268 124.220 121.223 -0.452 0.000 2.503 528 L HA 0.141 4.481 4.340 0.000 0.000 0.287 528 L C -1.605 175.050 176.870 -0.358 0.000 1.252 528 L CA -0.579 53.910 54.840 -0.584 0.000 0.835 528 L CB -0.647 40.845 42.059 -0.945 0.000 1.099 528 L HN 0.363 nan 8.230 nan 0.000 0.516 529 P HA 0.046 nan 4.420 nan 0.000 0.272 529 P C 0.294 177.358 177.300 -0.393 0.000 1.248 529 P CA 0.087 62.798 63.100 -0.647 0.000 0.799 529 P CB 0.417 31.632 31.700 -0.808 0.000 0.997 530 S N -0.839 114.673 115.700 -0.313 0.000 2.356 530 S HA -0.049 4.421 4.470 0.000 0.000 0.219 530 S C 0.899 175.387 174.600 -0.187 0.000 1.036 530 S CA 0.455 58.532 58.200 -0.206 0.000 0.965 530 S CB -0.961 62.163 63.200 -0.127 0.000 0.864 530 S HN 0.463 nan 8.310 nan 0.000 0.471 531 N N 3.847 122.458 118.700 -0.148 0.000 2.406 531 N HA 0.279 5.019 4.740 0.000 0.000 0.265 531 N C -2.272 173.184 175.510 -0.090 0.000 1.203 531 N CA -2.093 50.906 53.050 -0.085 0.000 0.945 531 N CB 0.912 39.380 38.487 -0.032 0.000 1.165 531 N HN 0.025 nan 8.380 nan 0.000 0.485 532 P HA -0.101 nan 4.420 nan 0.000 0.224 532 P C 0.427 177.750 177.300 0.038 0.000 1.142 532 P CA 1.037 64.098 63.100 -0.064 0.000 0.778 532 P CB 0.351 32.063 31.700 0.020 0.000 0.764 533 S N -2.304 113.419 115.700 0.039 0.000 2.421 533 S HA 0.009 4.479 4.470 0.000 0.000 0.224 533 S C 0.912 175.561 174.600 0.082 0.000 1.035 533 S CA 0.538 58.773 58.200 0.060 0.000 0.953 533 S CB -0.675 62.556 63.200 0.052 0.000 0.810 533 S HN 0.175 nan 8.310 nan 0.000 0.497 534 T N 4.709 119.303 114.554 0.067 0.000 2.908 534 T HA 0.119 4.469 4.350 0.000 0.000 0.301 534 T C -2.423 172.376 174.700 0.166 0.000 1.019 534 T CA -0.594 61.575 62.100 0.115 0.000 1.152 534 T CB 0.407 69.335 68.868 0.100 0.000 0.966 534 T HN 0.105 nan 8.240 nan 0.000 0.540 535 P HA 0.189 nan 4.420 nan 0.000 0.269 535 P C -1.038 176.376 177.300 0.189 0.000 1.211 535 P CA -0.261 62.966 63.100 0.213 0.000 0.781 535 P CB 0.466 32.266 31.700 0.166 0.000 0.877 536 V N 3.149 123.132 119.914 0.114 0.000 2.532 536 V HA 0.322 4.442 4.120 0.000 0.000 0.294 536 V C -0.115 175.960 176.094 -0.031 0.000 1.036 536 V CA -0.258 61.998 62.300 -0.072 0.000 0.876 536 V CB 1.376 32.783 31.823 -0.693 0.000 1.012 536 V HN 0.382 nan 8.190 nan 0.000 0.432 537 I N 5.653 126.253 120.570 0.051 0.000 2.336 537 I HA 0.535 4.705 4.170 0.000 0.000 0.292 537 I C -0.253 175.832 176.117 -0.053 0.000 0.991 537 I CA -0.211 61.117 61.300 0.047 0.000 1.227 537 I CB 1.552 39.587 38.000 0.059 0.000 1.366 537 I HN 0.472 nan 8.210 nan 0.000 0.466 538 M N 7.688 127.177 119.600 -0.184 0.000 2.142 538 M HA 0.505 4.985 4.480 0.000 0.000 0.299 538 M C -1.006 175.014 176.300 -0.467 0.000 0.960 538 M CA -0.280 54.665 55.300 -0.591 0.000 0.920 538 M CB 2.233 34.061 32.600 -1.287 0.000 1.541 538 M HN 0.372 nan 8.290 nan 0.000 0.429 539 I N 2.261 122.677 120.570 -0.256 0.000 2.355 539 I HA 0.647 4.817 4.170 0.000 0.000 0.288 539 I C 0.335 176.582 176.117 0.217 0.000 0.999 539 I CA -0.427 60.849 61.300 -0.039 0.000 1.163 539 I CB 1.782 39.746 38.000 -0.061 0.000 1.316 539 I HN 0.895 nan 8.210 nan 0.000 0.454 540 G N 6.862 115.856 108.800 0.323 0.000 3.298 540 G HA2 0.372 4.332 3.960 0.000 0.000 0.303 540 G HA3 0.372 4.332 3.960 0.000 0.000 0.303 540 G C -3.064 171.988 174.900 0.254 0.000 1.668 540 G CA -0.912 44.512 45.100 0.540 0.000 0.733 540 G HN 0.233 nan 8.290 nan 0.000 0.453 541 P HA 0.260 nan 4.420 nan 0.000 0.261 541 P C 1.294 178.521 177.300 -0.122 0.000 1.203 541 P CA 1.725 64.713 63.100 -0.187 0.000 0.767 541 P CB 1.054 32.597 31.700 -0.261 0.000 0.785 542 G N 4.122 112.784 108.800 -0.230 0.000 2.596 542 G HA2 -0.373 3.587 3.960 0.000 0.000 0.295 542 G HA3 -0.373 3.587 3.960 0.000 0.000 0.295 542 G C 1.238 176.360 174.900 0.370 0.000 1.240 542 G CA 0.717 45.865 45.100 0.081 0.000 0.985 542 G HN 0.397 nan 8.290 nan 0.000 0.555 543 T N 1.311 116.079 114.554 0.356 0.000 2.837 543 T HA -0.119 4.231 4.350 0.000 0.000 0.266 543 T C 2.376 177.328 174.700 0.421 0.000 1.077 543 T CA 2.461 64.812 62.100 0.419 0.000 1.133 543 T CB -0.720 68.402 68.868 0.424 0.000 0.830 543 T HN 1.574 nan 8.240 nan 0.000 0.512 544 G N 0.306 109.296 108.800 0.317 0.000 2.598 544 G HA2 -0.051 3.909 3.960 0.000 0.000 0.215 544 G HA3 -0.051 3.909 3.960 0.000 0.000 0.215 544 G C 1.532 176.540 174.900 0.180 0.000 1.131 544 G CA 0.374 45.621 45.100 0.245 0.000 0.785 544 G HN 0.478 nan 8.290 nan 0.000 0.539 545 V N 1.028 121.156 119.914 0.356 0.000 2.867 545 V HA -0.009 4.111 4.120 0.000 0.000 0.260 545 V C 2.993 179.207 176.094 0.199 0.000 1.099 545 V CA 1.876 64.443 62.300 0.445 0.000 1.122 545 V CB -0.527 31.632 31.823 0.561 0.000 0.708 545 V HN 0.448 nan 8.190 nan 0.000 0.490 546 A N 0.873 123.796 122.820 0.172 0.000 1.881 546 A HA -0.223 4.097 4.320 0.000 0.000 0.219 546 A C 0.516 178.065 177.584 -0.058 0.000 1.215 546 A CA 2.547 54.653 52.037 0.114 0.000 0.648 546 A CB -2.211 16.874 19.000 0.141 0.000 0.832 546 A HN 0.581 nan 8.150 nan 0.000 0.455 547 P HA -0.177 nan 4.420 nan 0.000 0.216 547 P C 1.168 178.306 177.300 -0.269 0.000 1.153 547 P CA 1.471 64.403 63.100 -0.280 0.000 0.858 547 P CB -0.249 31.242 31.700 -0.348 0.000 0.789 548 F N -0.826 119.075 119.950 -0.082 0.000 2.186 548 F HA -0.087 4.440 4.527 0.000 0.000 0.299 548 F C 2.675 178.519 175.800 0.073 0.000 1.090 548 F CA 0.494 58.425 58.000 -0.115 0.000 1.307 548 F CB -0.618 38.335 39.000 -0.078 0.000 1.019 548 F HN -0.217 nan 8.300 nan 0.000 0.489 549 R N 1.101 121.748 120.500 0.245 0.000 2.159 549 R HA -0.109 4.231 4.340 0.000 0.000 0.237 549 R C 2.257 178.503 176.300 -0.089 0.000 1.131 549 R CA 1.334 57.444 56.100 0.016 0.000 0.982 549 R CB -0.620 29.596 30.300 -0.139 0.000 0.868 549 R HN 0.355 nan 8.270 nan 0.000 0.453 550 G N -0.003 108.824 108.800 0.045 0.000 2.404 550 G HA2 -0.195 3.765 3.960 0.000 0.000 0.213 550 G HA3 -0.195 3.765 3.960 0.000 0.000 0.213 550 G C 0.985 175.958 174.900 0.121 0.000 1.189 550 G CA 0.226 45.362 45.100 0.061 0.000 0.796 550 G HN 0.212 nan 8.290 nan 0.000 0.532 551 F N 0.985 120.893 119.950 -0.071 0.000 2.063 551 F HA -0.154 4.373 4.527 0.000 0.000 0.298 551 F C 2.568 178.276 175.800 -0.154 0.000 1.105 551 F CA 0.980 58.911 58.000 -0.115 0.000 1.215 551 F CB -0.773 38.162 39.000 -0.108 0.000 0.972 551 F HN 0.032 nan 8.300 nan 0.000 0.483 552 I N -0.398 120.161 120.570 -0.017 0.000 2.110 552 I HA -0.238 3.932 4.170 0.000 0.000 0.236 552 I C 2.521 178.500 176.117 -0.231 0.000 1.068 552 I CA 1.339 62.497 61.300 -0.237 0.000 1.333 552 I CB -0.778 36.919 38.000 -0.506 0.000 1.054 552 I HN -0.049 nan 8.210 nan 0.000 0.402 553 R N -0.034 120.279 120.500 -0.312 0.000 2.140 553 R HA -0.299 4.041 4.340 0.000 0.000 0.250 553 R C 2.241 178.518 176.300 -0.039 0.000 1.150 553 R CA 2.051 58.071 56.100 -0.133 0.000 0.966 553 R CB -0.341 29.890 30.300 -0.115 0.000 0.869 553 R HN 0.377 nan 8.270 nan 0.000 0.445 554 E N 0.308 120.475 120.200 -0.054 0.000 2.006 554 E HA -0.164 4.186 4.350 0.000 0.000 0.192 554 E C 1.946 178.538 176.600 -0.013 0.000 0.993 554 E CA 1.266 57.639 56.400 -0.044 0.000 0.808 554 E CB -0.018 29.613 29.700 -0.115 0.000 0.764 554 E HN -0.003 nan 8.360 nan 0.000 0.449 555 R N 0.196 120.672 120.500 -0.040 0.000 2.117 555 R HA -0.121 4.219 4.340 0.000 0.000 0.243 555 R C 2.347 178.716 176.300 0.115 0.000 1.143 555 R CA 1.213 57.330 56.100 0.028 0.000 0.968 555 R CB -1.121 29.191 30.300 0.020 0.000 0.863 555 R HN 0.246 nan 8.270 nan 0.000 0.444 556 V N 0.740 120.699 119.914 0.074 0.000 2.244 556 V HA -0.206 3.914 4.120 0.000 0.000 0.244 556 V C 2.501 178.659 176.094 0.107 0.000 1.042 556 V CA 1.843 64.206 62.300 0.105 0.000 1.006 556 V CB -1.056 30.854 31.823 0.145 0.000 0.641 556 V HN 0.343 nan 8.190 nan 0.000 0.446 557 A N -0.540 122.338 122.820 0.097 0.000 2.009 557 A HA -0.312 4.008 4.320 0.000 0.000 0.222 557 A C 2.065 179.722 177.584 0.121 0.000 1.175 557 A CA 2.495 54.584 52.037 0.086 0.000 0.651 557 A CB -0.748 18.294 19.000 0.070 0.000 0.815 557 A HN 0.557 nan 8.150 nan 0.000 0.459 558 F N -0.365 119.572 119.950 -0.022 0.000 2.037 558 F HA -0.026 4.501 4.527 0.000 0.000 0.291 558 F C 1.856 177.643 175.800 -0.021 0.000 1.137 558 F CA 1.565 59.548 58.000 -0.027 0.000 1.178 558 F CB -0.821 38.155 39.000 -0.041 0.000 0.995 558 F HN 0.157 nan 8.300 nan 0.000 0.472 559 L N 0.980 122.174 121.223 -0.050 0.000 2.089 559 L HA -0.256 4.084 4.340 0.000 0.000 0.213 559 L C 2.206 178.986 176.870 -0.150 0.000 1.079 559 L CA 2.082 56.821 54.840 -0.168 0.000 0.758 559 L CB -0.963 41.091 42.059 -0.009 0.000 0.891 559 L HN 0.280 nan 8.230 nan 0.000 0.433 560 E N -1.344 118.815 120.200 -0.068 0.000 2.204 560 E HA -0.119 4.231 4.350 0.000 0.000 0.194 560 E C 2.194 178.745 176.600 -0.083 0.000 0.989 560 E CA 1.188 57.558 56.400 -0.050 0.000 0.824 560 E CB -0.014 29.683 29.700 -0.006 0.000 0.756 560 E HN 0.490 nan 8.360 nan 0.000 0.477 561 S N 0.094 115.721 115.700 -0.122 0.000 2.414 561 S HA -0.066 4.404 4.470 0.000 0.000 0.227 561 S C 1.625 176.114 174.600 -0.184 0.000 1.022 561 S CA 0.431 58.555 58.200 -0.127 0.000 0.958 561 S CB -0.039 63.097 63.200 -0.106 0.000 0.797 561 S HN 0.251 nan 8.310 nan 0.000 0.493 562 Q N 1.753 121.375 119.800 -0.297 0.000 2.079 562 Q HA 0.004 4.344 4.340 0.000 0.000 0.200 562 Q C 1.878 177.782 176.000 -0.161 0.000 0.974 562 Q CA 1.037 56.669 55.803 -0.285 0.000 0.840 562 Q CB -0.387 28.110 28.738 -0.402 0.000 0.898 562 Q HN 0.537 nan 8.270 nan 0.000 0.430 563 K N 1.136 121.459 120.400 -0.129 0.000 2.113 563 K HA -0.126 4.194 4.320 0.000 0.000 0.208 563 K C 1.403 177.963 176.600 -0.067 0.000 1.047 563 K CA 0.813 57.052 56.287 -0.081 0.000 0.928 563 K CB -0.128 32.336 32.500 -0.061 0.000 0.716 563 K HN -0.013 nan 8.250 nan 0.000 0.446 564 K N 0.572 120.930 120.400 -0.070 0.000 2.449 564 K HA -0.001 4.319 4.320 0.000 0.000 0.237 564 K C 0.225 176.791 176.600 -0.056 0.000 1.265 564 K CA 0.332 56.586 56.287 -0.054 0.000 1.193 564 K CB -0.381 32.090 32.500 -0.047 0.000 1.515 564 K HN 0.356 nan 8.250 nan 0.000 0.259 565 G N 1.702 110.471 108.800 -0.053 0.000 3.299 565 G HA2 -0.278 3.682 3.960 0.000 0.000 0.251 565 G HA3 -0.278 3.682 3.960 0.000 0.000 0.251 565 G C 0.253 175.118 174.900 -0.057 0.000 1.741 565 G CA -0.477 44.595 45.100 -0.047 0.000 1.151 565 G HN 0.682 nan 8.290 nan 0.000 0.561 566 G N 1.481 110.241 108.800 -0.066 0.000 2.097 566 G HA2 0.306 4.266 3.960 0.000 0.000 0.256 566 G HA3 0.306 4.266 3.960 0.000 0.000 0.256 566 G C 0.268 175.112 174.900 -0.093 0.000 1.082 566 G CA 0.725 45.782 45.100 -0.072 0.000 0.956 566 G HN 0.842 nan 8.290 nan 0.000 0.420 567 N N 1.688 120.349 118.700 -0.065 0.000 2.414 567 N HA -0.045 4.695 4.740 0.000 0.000 0.268 567 N C 0.638 176.099 175.510 -0.082 0.000 1.286 567 N CA 0.101 53.114 53.050 -0.062 0.000 0.896 567 N CB 0.371 38.837 38.487 -0.035 0.000 1.093 567 N HN 0.714 nan 8.380 nan 0.000 0.480 568 N N 0.830 119.465 118.700 -0.108 0.000 2.683 568 N HA -0.007 4.734 4.740 0.000 0.000 0.256 568 N C -0.108 175.376 175.510 -0.043 0.000 1.270 568 N CA -0.482 52.491 53.050 -0.128 0.000 0.954 568 N CB -0.256 38.136 38.487 -0.158 0.000 1.289 568 N HN 0.281 nan 8.380 nan 0.000 0.508 569 V N -1.396 118.507 119.914 -0.019 0.000 2.890 569 V HA -0.117 4.003 4.120 0.000 0.000 0.294 569 V C 0.940 177.049 176.094 0.024 0.000 1.165 569 V CA -0.312 61.991 62.300 0.006 0.000 1.302 569 V CB -1.780 30.053 31.823 0.017 0.000 0.820 569 V HN 0.874 nan 8.190 nan 0.000 0.468 570 S N 2.756 118.467 115.700 0.018 0.000 2.848 570 S HA -0.116 4.354 4.470 0.000 0.000 0.633 570 S C -0.398 174.220 174.600 0.030 0.000 3.136 570 S CA 1.107 59.321 58.200 0.024 0.000 3.383 570 S CB -0.757 62.462 63.200 0.031 0.000 0.331 570 S HN 2.741 nan 8.310 nan 0.000 1.769 571 L N -0.493 120.744 121.223 0.024 0.000 4.403 571 L HA 0.547 4.887 4.340 0.000 0.000 0.245 571 L C 0.232 177.079 176.870 -0.039 0.000 1.066 571 L CA 0.847 55.687 54.840 0.001 0.000 1.377 571 L CB -0.072 41.975 42.059 -0.020 0.000 1.961 571 L HN 1.815 nan 8.230 nan 0.000 0.701 572 G N 3.578 112.381 108.800 0.006 0.000 2.368 572 G HA2 0.163 4.123 3.960 0.000 0.000 0.233 572 G HA3 0.163 4.123 3.960 0.000 0.000 0.233 572 G C -0.026 174.893 174.900 0.031 0.000 1.267 572 G CA 0.077 45.212 45.100 0.058 0.000 0.873 572 G HN 0.899 nan 8.290 nan 0.000 0.539 573 K N 2.191 122.652 120.400 0.101 0.000 2.430 573 K HA 0.017 4.337 4.320 0.000 0.000 0.280 573 K C -0.579 176.192 176.600 0.284 0.000 1.063 573 K CA 0.404 56.770 56.287 0.131 0.000 1.071 573 K CB 0.210 32.786 32.500 0.126 0.000 0.899 573 K HN 0.668 nan 8.250 nan 0.000 0.473 574 H N 3.016 122.124 119.070 0.064 0.000 2.504 574 H HA 0.370 4.926 4.556 0.000 0.000 0.322 574 H C -0.746 174.630 175.328 0.079 0.000 1.055 574 H CA -0.998 55.056 56.048 0.009 0.000 1.231 574 H CB 1.656 31.345 29.762 -0.123 0.000 1.417 574 H HN 0.560 nan 8.280 nan 0.000 0.472 575 I N 4.997 125.653 120.570 0.144 0.000 2.406 575 I HA 0.187 4.357 4.170 0.000 0.000 0.290 575 I C -1.525 174.563 176.117 -0.048 0.000 0.999 575 I CA -1.185 60.157 61.300 0.069 0.000 1.124 575 I CB 1.138 39.136 38.000 -0.002 0.000 1.289 575 I HN 0.353 nan 8.210 nan 0.000 0.441 576 L N 8.267 129.453 121.223 -0.061 0.000 2.305 576 L HA 0.556 4.896 4.340 0.000 0.000 0.284 576 L C -1.802 174.891 176.870 -0.296 0.000 1.013 576 L CA 0.034 54.773 54.840 -0.168 0.000 0.819 576 L CB 1.088 43.101 42.059 -0.077 0.000 1.227 576 L HN 0.425 nan 8.230 nan 0.000 0.417 577 F N 6.232 126.047 119.950 -0.224 0.000 2.303 577 F HA 0.351 4.878 4.527 0.000 0.000 0.368 577 F C -0.232 175.482 175.800 -0.144 0.000 1.105 577 F CA -0.125 57.752 58.000 -0.204 0.000 1.153 577 F CB 0.416 39.292 39.000 -0.207 0.000 1.362 577 F HN 0.513 nan 8.300 nan 0.000 0.511 578 Y N 1.986 122.172 120.300 -0.190 0.000 2.519 578 Y HA 0.842 5.392 4.550 0.000 0.000 0.324 578 Y C 0.140 175.891 175.900 -0.248 0.000 1.214 578 Y CA -0.997 56.968 58.100 -0.224 0.000 1.260 578 Y CB 1.707 39.930 38.460 -0.394 0.000 1.311 578 Y HN 0.529 nan 8.280 nan 0.000 0.505 579 G N 0.780 108.735 108.800 -1.409 0.000 2.660 579 G HA2 0.585 4.545 3.960 0.000 0.000 0.290 579 G HA3 0.585 4.545 3.960 0.000 0.000 0.290 579 G C -1.794 172.411 174.900 -1.158 0.000 1.432 579 G CA -0.407 44.093 45.100 -1.000 0.000 0.807 579 G HN 1.315 nan 8.290 nan 0.000 0.485 580 S N -0.967 114.419 115.700 -0.523 0.000 2.714 580 S HA 0.276 4.746 4.470 0.000 0.000 0.284 580 S C 0.769 175.362 174.600 -0.012 0.000 1.019 580 S CA -0.322 57.722 58.200 -0.260 0.000 0.856 580 S CB 0.963 64.050 63.200 -0.189 0.000 1.075 580 S HN 0.852 nan 8.310 nan 0.000 0.455 581 R N 1.778 122.249 120.500 -0.049 0.000 2.133 581 R HA -0.173 4.167 4.340 0.000 0.000 0.245 581 R C 1.035 177.334 176.300 -0.002 0.000 1.137 581 R CA 2.793 58.885 56.100 -0.013 0.000 0.947 581 R CB -0.735 29.534 30.300 -0.052 0.000 0.865 581 R HN 0.911 nan 8.270 nan 0.000 0.437 582 N N -3.411 115.261 118.700 -0.047 0.000 3.622 582 N HA 0.016 4.756 4.740 0.000 0.000 0.352 582 N C -0.800 174.633 175.510 -0.128 0.000 1.559 582 N CA -0.427 52.489 53.050 -0.223 0.000 0.801 582 N CB 0.649 39.045 38.487 -0.153 0.000 2.399 582 N HN -0.166 nan 8.380 nan 0.000 0.545 583 T N -2.102 112.386 114.554 -0.110 0.000 3.287 583 T HA 0.348 4.698 4.350 0.000 0.000 0.253 583 T C -0.731 174.025 174.700 0.092 0.000 0.975 583 T CA -0.116 62.047 62.100 0.106 0.000 0.912 583 T CB -0.450 68.443 68.868 0.041 0.000 1.071 583 T HN 0.394 nan 8.240 nan 0.000 0.578 584 D N 1.105 121.534 120.400 0.047 0.000 2.448 584 D HA 0.015 4.655 4.640 0.000 0.000 0.256 584 D C 1.184 177.454 176.300 -0.051 0.000 1.108 584 D CA 0.257 54.272 54.000 0.025 0.000 0.848 584 D CB 0.436 41.235 40.800 -0.002 0.000 1.281 584 D HN 0.514 nan 8.370 nan 0.000 0.509 585 D N -0.281 120.000 120.400 -0.198 0.000 2.501 585 D HA -0.038 4.602 4.640 0.000 0.000 0.224 585 D C 0.000 176.220 176.300 -0.134 0.000 1.202 585 D CA -0.603 52.957 54.000 -0.733 0.000 0.829 585 D CB -0.827 39.428 40.800 -0.909 0.000 1.023 585 D HN 0.061 nan 8.370 nan 0.000 0.499 586 F N 2.127 122.108 119.950 0.052 0.000 2.490 586 F HA 0.217 4.744 4.527 0.000 0.000 0.357 586 F C 0.316 176.285 175.800 0.282 0.000 1.166 586 F CA -0.727 57.441 58.000 0.281 0.000 1.116 586 F CB 0.278 39.431 39.000 0.254 0.000 1.171 586 F HN -0.192 nan 8.300 nan 0.000 0.576 587 L N 7.462 129.026 121.223 0.569 0.000 2.499 587 L HA -0.073 4.267 4.340 0.000 0.000 0.273 587 L C 0.103 177.375 176.870 0.671 0.000 1.195 587 L CA 0.036 55.167 54.840 0.486 0.000 0.882 587 L CB -0.104 42.264 42.059 0.514 0.000 1.133 587 L HN 0.703 nan 8.230 nan 0.000 0.483 588 Y N 1.140 121.730 120.300 0.483 0.000 3.617 588 Y HA -0.375 4.175 4.550 0.000 0.000 0.215 588 Y C 1.787 177.929 175.900 0.404 0.000 1.178 588 Y CA 0.999 59.293 58.100 0.323 0.000 1.517 588 Y CB -1.721 36.847 38.460 0.180 0.000 1.457 588 Y HN 0.683 nan 8.280 nan 0.000 0.615 589 Q N 1.506 121.615 119.800 0.516 0.000 2.118 589 Q HA -0.311 4.029 4.340 0.000 0.000 0.211 589 Q C 2.011 178.068 176.000 0.094 0.000 0.998 589 Q CA 2.452 58.309 55.803 0.090 0.000 0.872 589 Q CB -0.124 28.303 28.738 -0.519 0.000 0.925 589 Q HN 0.772 nan 8.270 nan 0.000 0.414 590 D N -0.261 120.155 120.400 0.026 0.000 2.158 590 D HA -0.247 4.393 4.640 0.000 0.000 0.197 590 D C 1.354 177.602 176.300 -0.087 0.000 0.995 590 D CA 1.808 55.788 54.000 -0.033 0.000 0.846 590 D CB -0.399 40.380 40.800 -0.036 0.000 0.941 590 D HN 0.604 nan 8.370 nan 0.000 0.456 591 E N 0.258 120.359 120.200 -0.165 0.000 2.076 591 E HA -0.097 4.253 4.350 0.000 0.000 0.190 591 E C 2.233 178.563 176.600 -0.451 0.000 0.979 591 E CA 0.497 56.636 56.400 -0.435 0.000 0.807 591 E CB -0.467 28.918 29.700 -0.525 0.000 0.761 591 E HN 0.421 nan 8.360 nan 0.000 0.454 592 W N 1.499 122.922 121.300 0.204 0.000 2.305 592 W HA -0.155 4.505 4.660 0.000 0.000 0.308 592 W C -0.625 175.968 176.519 0.123 0.000 1.226 592 W CA 0.965 58.509 57.345 0.331 0.000 1.253 592 W CB -1.845 27.777 29.460 0.270 0.000 1.146 592 W HN 0.225 nan 8.180 nan 0.000 0.507 593 P HA -0.216 nan 4.420 nan 0.000 0.215 593 P C 1.412 178.731 177.300 0.030 0.000 1.157 593 P CA 2.122 65.263 63.100 0.069 0.000 0.874 593 P CB -0.121 31.589 31.700 0.017 0.000 0.790 594 E N -0.533 119.620 120.200 -0.078 0.000 2.012 594 E HA -0.241 4.109 4.350 0.000 0.000 0.211 594 E C 2.160 178.751 176.600 -0.016 0.000 1.029 594 E CA 1.737 58.048 56.400 -0.147 0.000 0.867 594 E CB -1.593 27.871 29.700 -0.394 0.000 0.790 594 E HN 0.406 nan 8.360 nan 0.000 0.482 595 Y N 0.969 121.327 120.300 0.096 0.000 2.062 595 Y HA -0.297 4.253 4.550 0.000 0.000 0.273 595 Y C 2.464 178.535 175.900 0.285 0.000 1.206 595 Y CA 1.064 59.284 58.100 0.200 0.000 1.125 595 Y CB -0.687 37.968 38.460 0.325 0.000 0.951 595 Y HN 0.145 nan 8.280 nan 0.000 0.501 596 A N -0.432 122.653 122.820 0.442 0.000 2.272 596 A HA -0.160 4.160 4.320 0.000 0.000 0.213 596 A C 1.857 179.527 177.584 0.144 0.000 1.183 596 A CA 1.459 53.628 52.037 0.220 0.000 0.719 596 A CB -0.502 18.456 19.000 -0.069 0.000 0.771 596 A HN 0.526 nan 8.150 nan 0.000 0.484 597 K N -0.666 119.818 120.400 0.140 0.000 2.230 597 K HA 0.109 4.429 4.320 0.000 0.000 0.219 597 K C 1.483 178.141 176.600 0.096 0.000 1.033 597 K CA 0.530 56.866 56.287 0.082 0.000 0.937 597 K CB -0.099 32.427 32.500 0.043 0.000 1.018 597 K HN 0.210 nan 8.250 nan 0.000 0.463 598 K N 1.234 121.696 120.400 0.102 0.000 2.520 598 K HA -0.105 4.215 4.320 0.000 0.000 0.197 598 K C 1.201 177.866 176.600 0.109 0.000 1.044 598 K CA 0.841 57.184 56.287 0.093 0.000 0.938 598 K CB -0.090 32.470 32.500 0.100 0.000 0.767 598 K HN 0.167 nan 8.250 nan 0.000 0.481 599 L N 0.516 121.832 121.223 0.155 0.000 2.818 599 L HA 0.066 4.406 4.340 0.000 0.000 0.243 599 L C 0.331 177.270 176.870 0.113 0.000 1.185 599 L CA -0.352 54.576 54.840 0.146 0.000 0.988 599 L CB -0.374 41.829 42.059 0.239 0.000 1.292 599 L HN 0.257 nan 8.230 nan 0.000 0.519 600 D N 0.816 121.268 120.400 0.088 0.000 4.111 600 D HA -0.222 4.418 4.640 0.000 0.000 0.290 600 D C 0.868 177.213 176.300 0.076 0.000 2.255 600 D CA 1.375 55.413 54.000 0.062 0.000 1.109 600 D CB 0.006 40.830 40.800 0.040 0.000 1.034 600 D HN 0.303 nan 8.370 nan 0.000 1.222 601 G N -0.447 108.386 108.800 0.056 0.000 3.340 601 G HA2 0.242 4.202 3.960 0.000 0.000 0.240 601 G HA3 0.242 4.202 3.960 0.000 0.000 0.240 601 G C 1.057 176.001 174.900 0.073 0.000 1.327 601 G CA 0.795 45.931 45.100 0.059 0.000 1.170 601 G HN 0.247 nan 8.290 nan 0.000 0.520 602 S N -0.561 115.192 115.700 0.088 0.000 2.492 602 S HA 0.253 4.723 4.470 0.000 0.000 0.218 602 S C 0.322 175.020 174.600 0.164 0.000 1.016 602 S CA -0.421 57.818 58.200 0.065 0.000 0.916 602 S CB 0.241 63.428 63.200 -0.022 0.000 0.791 602 S HN 0.471 nan 8.310 nan 0.000 0.513 603 F N 2.247 122.209 119.950 0.021 0.000 2.444 603 F HA 0.538 5.065 4.527 0.000 0.000 0.342 603 F C -0.497 175.335 175.800 0.054 0.000 1.121 603 F CA -0.819 57.215 58.000 0.058 0.000 0.997 603 F CB 1.087 40.147 39.000 0.100 0.000 1.130 603 F HN -0.017 nan 8.300 nan 0.000 0.454 604 E N 7.768 128.157 120.200 0.314 0.000 2.274 604 E HA 0.242 4.592 4.350 0.000 0.000 0.269 604 E C -1.717 174.785 176.600 -0.163 0.000 0.891 604 E CA -0.899 55.436 56.400 -0.108 0.000 0.784 604 E CB 2.089 31.788 29.700 -0.001 0.000 1.225 604 E HN 0.815 nan 8.360 nan 0.000 0.412 605 M N 5.577 124.939 119.600 -0.396 0.000 2.101 605 M HA 0.382 4.862 4.480 0.000 0.000 0.340 605 M C -1.702 174.385 176.300 -0.356 0.000 1.057 605 M CA -0.745 54.364 55.300 -0.319 0.000 0.984 605 M CB 1.248 33.636 32.600 -0.354 0.000 1.560 605 M HN 0.297 nan 8.290 nan 0.000 0.435 606 V N 6.121 125.706 119.914 -0.550 0.000 2.383 606 V HA 0.395 4.515 4.120 0.000 0.000 0.275 606 V C -0.425 175.453 176.094 -0.360 0.000 1.036 606 V CA -0.575 61.370 62.300 -0.592 0.000 0.889 606 V CB 1.433 32.525 31.823 -1.218 0.000 0.985 606 V HN 0.672 nan 8.190 nan 0.000 0.459 607 V N 4.700 124.476 119.914 -0.229 0.000 2.409 607 V HA 0.776 4.896 4.120 0.000 0.000 0.291 607 V C 0.362 176.270 176.094 -0.310 0.000 1.020 607 V CA -0.506 61.648 62.300 -0.243 0.000 0.848 607 V CB 1.547 33.263 31.823 -0.178 0.000 0.990 607 V HN 0.959 nan 8.190 nan 0.000 0.430 608 A N 4.248 126.849 122.820 -0.366 0.000 2.320 608 A HA 0.863 5.183 4.320 0.000 0.000 0.334 608 A C -0.694 176.608 177.584 -0.470 0.000 1.147 608 A CA -0.496 51.364 52.037 -0.295 0.000 0.820 608 A CB 0.804 19.730 19.000 -0.124 0.000 1.218 608 A HN 0.863 nan 8.150 nan 0.000 0.482 609 H N 1.155 120.207 119.070 -0.029 0.000 2.689 609 H HA 0.360 4.916 4.556 0.000 0.000 0.346 609 H C 0.025 175.362 175.328 0.015 0.000 1.037 609 H CA 0.043 56.073 56.048 -0.029 0.000 1.234 609 H CB 1.962 31.725 29.762 0.001 0.000 1.572 609 H HN 0.684 nan 8.280 nan 0.000 0.524 610 S N 2.178 117.971 115.700 0.155 0.000 2.568 610 S HA 0.209 4.679 4.470 0.000 0.000 0.232 610 S C 0.726 175.386 174.600 0.100 0.000 0.975 610 S CA -0.525 57.772 58.200 0.162 0.000 0.949 610 S CB 0.406 63.804 63.200 0.329 0.000 0.829 610 S HN 0.399 nan 8.310 nan 0.000 0.479 611 R N 0.957 121.497 120.500 0.065 0.000 2.569 611 R HA 0.379 4.719 4.340 0.000 0.000 0.429 611 R C -1.069 175.235 176.300 0.007 0.000 0.994 611 R CA -0.144 55.972 56.100 0.027 0.000 1.089 611 R CB 0.016 30.323 30.300 0.012 0.000 1.420 611 R HN 0.371 nan 8.270 nan 0.000 0.615 612 L N 2.497 123.732 121.223 0.019 0.000 2.349 612 L HA 0.354 4.694 4.340 0.000 0.000 0.275 612 L C -1.851 175.020 176.870 0.001 0.000 1.115 612 L CA -1.685 53.156 54.840 0.001 0.000 0.820 612 L CB 0.829 42.906 42.059 0.030 0.000 1.135 612 L HN -0.233 nan 8.230 nan 0.000 0.445 613 P HA 0.046 nan 4.420 nan 0.000 0.264 613 P C -0.108 177.192 177.300 0.001 0.000 1.193 613 P CA 0.151 63.249 63.100 -0.004 0.000 0.763 613 P CB 0.281 31.977 31.700 -0.006 0.000 0.810 614 N N -0.910 117.791 118.700 0.001 0.000 2.857 614 N HA -0.159 4.581 4.740 0.000 0.000 0.242 614 N C -0.296 175.216 175.510 0.003 0.000 0.983 614 N CA 1.485 54.536 53.050 0.001 0.000 0.934 614 N CB -1.658 36.830 38.487 0.002 0.000 1.115 614 N HN 0.406 nan 8.380 nan 0.000 0.593 615 T N 1.933 116.492 114.554 0.007 0.000 2.794 615 T HA 0.280 4.630 4.350 0.000 0.000 0.280 615 T C 0.393 175.096 174.700 0.005 0.000 0.987 615 T CA -0.612 61.495 62.100 0.011 0.000 0.993 615 T CB 1.932 70.817 68.868 0.027 0.000 0.939 615 T HN 0.013 nan 8.240 nan 0.000 0.449 616 K N 2.379 122.775 120.400 -0.005 0.000 2.586 616 K HA -0.031 4.289 4.320 0.000 0.000 0.280 616 K C 0.634 177.217 176.600 -0.028 0.000 0.972 616 K CA 0.285 56.557 56.287 -0.024 0.000 1.040 616 K CB 0.520 33.002 32.500 -0.031 0.000 0.870 616 K HN 0.485 nan 8.250 nan 0.000 0.497 617 K N 1.645 122.010 120.400 -0.059 0.000 2.469 617 K HA 0.043 4.363 4.320 0.000 0.000 0.274 617 K C -0.972 175.560 176.600 -0.113 0.000 0.983 617 K CA -0.091 56.147 56.287 -0.082 0.000 0.974 617 K CB 0.499 32.900 32.500 -0.164 0.000 0.913 617 K HN 0.283 nan 8.250 nan 0.000 0.493 618 V N 4.987 124.873 119.914 -0.045 0.000 2.655 618 V HA 0.259 4.379 4.120 0.000 0.000 0.301 618 V C -1.101 175.099 176.094 0.177 0.000 1.082 618 V CA -0.874 61.419 62.300 -0.012 0.000 0.899 618 V CB 1.001 32.838 31.823 0.024 0.000 1.014 618 V HN 0.737 nan 8.190 nan 0.000 0.429 619 Y N 1.898 122.158 120.300 -0.067 0.000 2.519 619 Y HA 0.348 4.898 4.550 0.000 0.000 0.324 619 Y C 1.688 177.531 175.900 -0.095 0.000 1.214 619 Y CA -0.895 57.148 58.100 -0.094 0.000 1.260 619 Y CB 2.236 40.641 38.460 -0.093 0.000 1.311 619 Y HN 0.566 nan 8.280 nan 0.000 0.505 620 V N -1.279 118.656 119.914 0.034 0.000 2.469 620 V HA -0.330 3.790 4.120 0.000 0.000 0.251 620 V C 1.567 177.624 176.094 -0.063 0.000 1.064 620 V CA 2.158 64.448 62.300 -0.016 0.000 1.066 620 V CB -0.833 30.954 31.823 -0.060 0.000 0.667 620 V HN 0.941 nan 8.190 nan 0.000 0.461 621 Q N -0.381 119.400 119.800 -0.032 0.000 2.364 621 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 621 Q C 1.529 177.499 176.000 -0.049 0.000 0.970 621 Q CA 1.654 57.414 55.803 -0.071 0.000 0.888 621 Q CB -0.493 28.234 28.738 -0.019 0.000 0.951 621 Q HN 0.671 nan 8.270 nan 0.000 0.469 622 D N 1.391 121.791 120.400 0.000 0.000 2.162 622 D HA -0.046 4.594 4.640 0.000 0.000 0.205 622 D C 1.597 177.917 176.300 0.034 0.000 0.964 622 D CA 0.695 54.697 54.000 0.003 0.000 0.847 622 D CB 0.199 41.001 40.800 0.004 0.000 0.988 622 D HN 0.154 nan 8.370 nan 0.000 0.480 623 K N 0.972 121.410 120.400 0.064 0.000 2.362 623 K HA -0.010 4.310 4.320 0.000 0.000 0.200 623 K C 2.218 178.927 176.600 0.183 0.000 1.046 623 K CA 0.146 56.539 56.287 0.177 0.000 0.952 623 K CB -0.117 32.518 32.500 0.225 0.000 0.753 623 K HN 0.287 nan 8.250 nan 0.000 0.466 624 L N 0.349 121.511 121.223 -0.101 0.000 2.095 624 L HA -0.050 4.290 4.340 0.000 0.000 0.204 624 L C 2.482 179.347 176.870 -0.010 0.000 1.080 624 L CA 0.966 55.662 54.840 -0.240 0.000 0.759 624 L CB -0.374 41.450 42.059 -0.392 0.000 0.914 624 L HN 0.097 nan 8.230 nan 0.000 0.439 625 K N 0.163 120.564 120.400 0.002 0.000 2.439 625 K HA -0.149 4.171 4.320 0.000 0.000 0.197 625 K C 1.083 177.723 176.600 0.067 0.000 1.041 625 K CA 1.013 57.312 56.287 0.020 0.000 0.970 625 K CB 0.174 32.672 32.500 -0.004 0.000 0.773 625 K HN 0.179 nan 8.250 nan 0.000 0.479 626 D N -1.194 119.292 120.400 0.143 0.000 2.271 626 D HA -0.028 4.612 4.640 0.000 0.000 0.206 626 D C 0.085 176.538 176.300 0.255 0.000 0.967 626 D CA 0.742 54.858 54.000 0.193 0.000 0.867 626 D CB 0.362 41.325 40.800 0.271 0.000 0.960 626 D HN 0.159 nan 8.370 nan 0.000 0.509 627 Y N 0.347 120.719 120.300 0.120 0.000 2.696 627 Y HA 0.168 4.718 4.550 0.000 0.000 0.260 627 Y C 1.311 177.288 175.900 0.127 0.000 1.165 627 Y CA -0.472 57.723 58.100 0.159 0.000 1.189 627 Y CB -0.064 38.588 38.460 0.320 0.000 1.180 627 Y HN 0.008 nan 8.280 nan 0.000 0.538 628 E N -0.696 119.613 120.200 0.182 0.000 2.171 628 E HA -0.236 4.114 4.350 0.000 0.000 0.197 628 E C 0.654 177.338 176.600 0.140 0.000 0.997 628 E CA 2.003 58.475 56.400 0.120 0.000 0.810 628 E CB -0.025 29.698 29.700 0.038 0.000 0.738 628 E HN 0.305 nan 8.360 nan 0.000 0.467 629 D N 0.751 121.215 120.400 0.107 0.000 2.137 629 D HA -0.171 4.469 4.640 0.000 0.000 0.202 629 D C 2.041 178.454 176.300 0.188 0.000 0.970 629 D CA 1.264 55.339 54.000 0.125 0.000 0.837 629 D CB -0.360 40.473 40.800 0.056 0.000 0.981 629 D HN 0.378 nan 8.370 nan 0.000 0.475 630 Q N 0.902 120.804 119.800 0.170 0.000 2.079 630 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 630 Q C 2.151 178.280 176.000 0.216 0.000 0.974 630 Q CA 1.053 56.968 55.803 0.188 0.000 0.840 630 Q CB 0.154 29.025 28.738 0.221 0.000 0.898 630 Q HN 0.022 nan 8.270 nan 0.000 0.430 631 V N 0.709 120.774 119.914 0.253 0.000 2.255 631 V HA -0.258 3.862 4.120 0.000 0.000 0.247 631 V C 2.078 178.276 176.094 0.175 0.000 1.051 631 V CA 2.063 64.487 62.300 0.207 0.000 1.018 631 V CB -0.858 31.061 31.823 0.160 0.000 0.641 631 V HN 0.453 nan 8.190 nan 0.000 0.445 632 F N 0.908 120.887 119.950 0.048 0.000 2.120 632 F HA -0.217 4.310 4.527 0.000 0.000 0.300 632 F C 2.422 178.242 175.800 0.034 0.000 1.095 632 F CA 2.299 60.316 58.000 0.028 0.000 1.249 632 F CB -0.268 38.746 39.000 0.023 0.000 0.995 632 F HN 0.265 nan 8.300 nan 0.000 0.480 633 E N 0.149 120.420 120.200 0.118 0.000 1.996 633 E HA -0.271 4.079 4.350 0.000 0.000 0.197 633 E C 2.351 178.934 176.600 -0.029 0.000 1.002 633 E CA 1.760 58.172 56.400 0.020 0.000 0.840 633 E CB -0.391 29.363 29.700 0.089 0.000 0.786 633 E HN 0.404 nan 8.360 nan 0.000 0.469 634 M N 0.405 120.030 119.600 0.041 0.000 2.152 634 M HA -0.307 4.173 4.480 0.000 0.000 0.251 634 M C 2.400 178.697 176.300 -0.004 0.000 1.080 634 M CA 1.737 57.064 55.300 0.046 0.000 1.079 634 M CB -0.620 32.036 32.600 0.094 0.000 1.317 634 M HN 0.310 nan 8.290 nan 0.000 0.404 635 I N 0.125 120.663 120.570 -0.054 0.000 2.113 635 I HA -0.290 3.880 4.170 0.000 0.000 0.238 635 I C 1.282 177.306 176.117 -0.156 0.000 1.070 635 I CA 1.162 62.396 61.300 -0.110 0.000 1.332 635 I CB -0.613 37.305 38.000 -0.137 0.000 1.044 635 I HN 0.335 nan 8.210 nan 0.000 0.402 636 N N 2.251 120.796 118.700 -0.257 0.000 2.523 636 N HA -0.049 4.691 4.740 0.000 0.000 0.208 636 N C 0.003 175.442 175.510 -0.118 0.000 1.313 636 N CA 0.500 53.406 53.050 -0.240 0.000 0.853 636 N CB -0.443 37.811 38.487 -0.388 0.000 1.090 636 N HN 0.437 nan 8.380 nan 0.000 0.463 637 N N -0.707 117.953 118.700 -0.066 0.000 2.307 637 N HA 0.095 4.835 4.740 0.000 0.000 0.248 637 N C 0.501 176.024 175.510 0.022 0.000 1.322 637 N CA 0.110 53.154 53.050 -0.010 0.000 0.861 637 N CB 0.939 39.435 38.487 0.014 0.000 1.303 637 N HN 0.191 nan 8.380 nan 0.000 0.498 638 G N 1.085 109.882 108.800 -0.005 0.000 2.246 638 G HA2 -0.236 3.724 3.960 0.000 0.000 0.273 638 G HA3 -0.236 3.724 3.960 0.000 0.000 0.273 638 G C 0.304 175.259 174.900 0.091 0.000 1.055 638 G CA 0.365 45.477 45.100 0.021 0.000 0.851 638 G HN 0.583 nan 8.290 nan 0.000 0.500 639 A N -0.701 122.152 122.820 0.056 0.000 2.332 639 A HA 0.769 5.089 4.320 0.000 0.000 0.258 639 A C -0.081 177.556 177.584 0.090 0.000 1.087 639 A CA -0.223 51.905 52.037 0.152 0.000 0.802 639 A CB 0.485 19.546 19.000 0.101 0.000 1.042 639 A HN 0.637 nan 8.150 nan 0.000 0.489 640 F N 0.466 120.474 119.950 0.096 0.000 2.420 640 F HA 0.438 4.965 4.527 0.000 0.000 0.342 640 F C 0.323 176.239 175.800 0.195 0.000 1.113 640 F CA -0.419 57.678 58.000 0.162 0.000 1.059 640 F CB 1.402 40.629 39.000 0.378 0.000 1.128 640 F HN 0.288 nan 8.300 nan 0.000 0.475 641 I N 5.281 125.853 120.570 0.003 0.000 2.291 641 I HA 0.156 4.326 4.170 0.000 0.000 0.290 641 I C -1.132 174.921 176.117 -0.106 0.000 1.050 641 I CA -0.651 60.581 61.300 -0.114 0.000 1.245 641 I CB 0.178 37.861 38.000 -0.528 0.000 1.405 641 I HN 0.390 nan 8.210 nan 0.000 0.478 642 Y N 5.532 125.798 120.300 -0.056 0.000 2.342 642 Y HA 0.430 4.980 4.550 0.000 0.000 0.338 642 Y C 0.087 176.127 175.900 0.234 0.000 0.965 642 Y CA -0.949 57.224 58.100 0.122 0.000 1.159 642 Y CB 1.447 39.929 38.460 0.036 0.000 1.157 642 Y HN 0.180 nan 8.280 nan 0.000 0.486 643 V N 4.099 124.308 119.914 0.493 0.000 2.326 643 V HA 0.385 4.505 4.120 0.000 0.000 0.281 643 V C -0.545 175.801 176.094 0.421 0.000 1.015 643 V CA -0.752 61.785 62.300 0.395 0.000 0.823 643 V CB 1.230 33.242 31.823 0.315 0.000 1.009 643 V HN 0.934 nan 8.190 nan 0.000 0.436 644 C N 4.517 124.067 119.300 0.417 0.000 2.626 644 C HA 1.033 5.493 4.460 0.000 0.000 0.310 644 C C 0.423 175.379 174.990 -0.056 0.000 1.191 644 C CA 0.645 59.733 59.018 0.118 0.000 1.517 644 C CB 0.638 28.368 27.740 -0.015 0.000 2.102 644 C HN 1.352 nan 8.230 nan 0.000 0.479 645 G N 4.772 113.323 108.800 -0.416 0.000 2.339 645 G HA2 0.188 4.148 3.960 0.000 0.000 0.275 645 G HA3 0.188 4.148 3.960 0.000 0.000 0.275 645 G C -0.297 173.659 174.900 -1.572 0.000 1.323 645 G CA 0.576 45.191 45.100 -0.809 0.000 0.927 645 G HN 0.843 nan 8.290 nan 0.000 0.486 646 D N -0.211 119.510 120.400 -1.132 0.000 2.062 646 D HA 0.292 4.932 4.640 0.000 0.000 0.249 646 D C 1.642 177.476 176.300 -0.777 0.000 1.114 646 D CA 3.838 57.239 54.000 -0.998 0.000 0.990 646 D CB -0.286 40.246 40.800 -0.447 0.000 1.442 646 D HN 2.159 nan 8.370 nan 0.000 0.533 647 A N -2.017 120.505 122.820 -0.496 0.000 4.937 647 A HA -0.088 4.232 4.320 0.000 0.000 0.130 647 A C 1.171 178.547 177.584 -0.348 0.000 1.223 647 A CA 1.295 53.079 52.037 -0.422 0.000 1.108 647 A CB -2.644 16.032 19.000 -0.539 0.000 0.766 647 A HN 0.479 nan 8.150 nan 0.000 0.581 648 K N -0.469 119.772 120.400 -0.264 0.000 2.209 648 K HA 0.226 4.546 4.320 0.000 0.000 0.204 648 K C 1.323 177.820 176.600 -0.173 0.000 1.048 648 K CA 2.752 58.926 56.287 -0.187 0.000 0.940 648 K CB -0.136 32.282 32.500 -0.136 0.000 0.729 648 K HN 1.498 nan 8.250 nan 0.000 0.451 649 G N -0.987 107.708 108.800 -0.175 0.000 3.988 649 G HA2 -0.010 3.950 3.960 0.000 0.000 0.195 649 G HA3 -0.010 3.950 3.960 0.000 0.000 0.195 649 G C 0.798 175.621 174.900 -0.129 0.000 1.060 649 G CA 0.186 45.205 45.100 -0.134 0.000 0.847 649 G HN 0.105 nan 8.290 nan 0.000 0.515 650 M N 1.545 121.040 119.600 -0.176 0.000 2.108 650 M HA 0.039 4.519 4.480 0.000 0.000 0.261 650 M C 2.447 178.667 176.300 -0.134 0.000 1.066 650 M CA 2.147 57.347 55.300 -0.166 0.000 1.107 650 M CB -0.631 31.827 32.600 -0.235 0.000 1.356 650 M HN 0.251 nan 8.290 nan 0.000 0.406 651 A N 0.747 123.456 122.820 -0.184 0.000 1.841 651 A HA -0.216 4.104 4.320 0.000 0.000 0.216 651 A C 2.144 179.681 177.584 -0.077 0.000 1.199 651 A CA 2.106 54.063 52.037 -0.133 0.000 0.621 651 A CB -0.786 18.071 19.000 -0.237 0.000 0.835 651 A HN 0.597 nan 8.150 nan 0.000 0.445 652 K N -0.684 119.651 120.400 -0.109 0.000 2.360 652 K HA -0.084 4.236 4.320 0.000 0.000 0.201 652 K C 1.907 178.479 176.600 -0.047 0.000 1.046 652 K CA 0.789 57.031 56.287 -0.076 0.000 0.945 652 K CB -0.271 32.173 32.500 -0.093 0.000 0.750 652 K HN 0.522 nan 8.250 nan 0.000 0.464 653 G N 0.590 109.363 108.800 -0.045 0.000 2.473 653 G HA2 -0.149 3.811 3.960 0.000 0.000 0.212 653 G HA3 -0.149 3.811 3.960 0.000 0.000 0.212 653 G C 1.511 176.403 174.900 -0.014 0.000 1.211 653 G CA 0.160 45.246 45.100 -0.023 0.000 0.813 653 G HN 0.043 nan 8.290 nan 0.000 0.541 654 V N 1.017 120.922 119.914 -0.015 0.000 2.282 654 V HA -0.229 3.891 4.120 0.000 0.000 0.249 654 V C 3.044 179.161 176.094 0.038 0.000 1.057 654 V CA 2.376 64.668 62.300 -0.014 0.000 1.032 654 V CB -0.693 31.122 31.823 -0.013 0.000 0.645 654 V HN 0.423 nan 8.190 nan 0.000 0.447 655 S N -0.445 115.311 115.700 0.093 0.000 2.359 655 S HA -0.270 4.200 4.470 0.000 0.000 0.222 655 S C 2.038 176.678 174.600 0.067 0.000 1.038 655 S CA 2.483 60.766 58.200 0.139 0.000 1.051 655 S CB -0.518 62.714 63.200 0.053 0.000 0.944 655 S HN 0.719 nan 8.310 nan 0.000 0.433 656 T N 1.635 116.199 114.554 0.017 0.000 2.946 656 T HA 0.034 4.384 4.350 0.000 0.000 0.271 656 T C 1.768 176.467 174.700 -0.002 0.000 1.104 656 T CA 1.040 63.140 62.100 0.000 0.000 1.114 656 T CB -0.391 68.466 68.868 -0.018 0.000 0.867 656 T HN 0.489 nan 8.240 nan 0.000 0.513 657 A N 1.218 124.035 122.820 -0.005 0.000 1.855 657 A HA 0.182 4.502 4.320 0.000 0.000 0.213 657 A C 2.216 179.791 177.584 -0.016 0.000 1.195 657 A CA 0.676 52.697 52.037 -0.025 0.000 0.610 657 A CB -0.700 18.266 19.000 -0.056 0.000 0.837 657 A HN 0.435 nan 8.150 nan 0.000 0.444 658 L N -0.040 121.180 121.223 -0.005 0.000 2.079 658 L HA -0.190 4.150 4.340 0.000 0.000 0.210 658 L C 2.509 179.408 176.870 0.049 0.000 1.081 658 L CA 1.083 55.929 54.840 0.011 0.000 0.752 658 L CB -0.567 41.503 42.059 0.019 0.000 0.896 658 L HN 0.256 nan 8.230 nan 0.000 0.433 659 V N 0.050 119.995 119.914 0.051 0.000 2.295 659 V HA -0.213 3.907 4.120 0.000 0.000 0.246 659 V C 2.660 178.771 176.094 0.028 0.000 1.049 659 V CA 2.019 64.346 62.300 0.045 0.000 1.024 659 V CB -1.386 30.453 31.823 0.027 0.000 0.648 659 V HN 0.567 nan 8.190 nan 0.000 0.447 660 G N -0.076 108.729 108.800 0.008 0.000 2.469 660 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 660 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 660 G C 1.569 176.460 174.900 -0.014 0.000 1.136 660 G CA 1.181 46.276 45.100 -0.009 0.000 0.759 660 G HN 0.504 nan 8.290 nan 0.000 0.562 661 I N -0.236 120.338 120.570 0.006 0.000 2.286 661 I HA -0.074 4.096 4.170 0.000 0.000 0.245 661 I C 2.459 178.608 176.117 0.054 0.000 1.104 661 I CA 0.377 61.685 61.300 0.014 0.000 1.397 661 I CB -0.126 37.913 38.000 0.064 0.000 1.072 661 I HN 0.084 nan 8.210 nan 0.000 0.417 662 L N 0.544 121.851 121.223 0.141 0.000 2.072 662 L HA -0.145 4.195 4.340 0.000 0.000 0.205 662 L C 2.834 179.784 176.870 0.133 0.000 1.079 662 L CA 2.000 56.990 54.840 0.249 0.000 0.752 662 L CB -1.083 41.084 42.059 0.179 0.000 0.906 662 L HN 0.304 nan 8.230 nan 0.000 0.436 663 S N -0.632 115.096 115.700 0.048 0.000 2.402 663 S HA -0.171 4.299 4.470 0.000 0.000 0.229 663 S C 2.134 176.713 174.600 -0.036 0.000 1.021 663 S CA 0.843 59.051 58.200 0.013 0.000 0.974 663 S CB -0.275 62.926 63.200 0.000 0.000 0.800 663 S HN 0.415 nan 8.310 nan 0.000 0.484 664 R N 0.492 120.939 120.500 -0.089 0.000 2.140 664 R HA 0.188 4.528 4.340 0.000 0.000 0.213 664 R C 2.698 178.821 176.300 -0.294 0.000 1.059 664 R CA 0.762 56.771 56.100 -0.152 0.000 1.000 664 R CB -0.711 29.503 30.300 -0.144 0.000 0.910 664 R HN 0.554 nan 8.270 nan 0.000 0.455 665 G N 1.739 110.219 108.800 -0.533 0.000 2.464 665 G HA2 -0.235 3.725 3.960 0.000 0.000 0.214 665 G HA3 -0.235 3.725 3.960 0.000 0.000 0.214 665 G C 1.183 175.862 174.900 -0.369 0.000 1.218 665 G CA 0.399 44.737 45.100 -1.270 0.000 0.794 665 G HN 0.184 nan 8.290 nan 0.000 0.542 666 K N 0.280 120.730 120.400 0.084 0.000 2.439 666 K HA 0.138 4.458 4.320 0.000 0.000 0.197 666 K C 1.026 177.659 176.600 0.055 0.000 1.041 666 K CA 0.646 57.046 56.287 0.187 0.000 0.970 666 K CB 0.136 32.764 32.500 0.213 0.000 0.773 666 K HN 0.156 nan 8.250 nan 0.000 0.479 667 S N 0.468 116.161 115.700 -0.012 0.000 3.672 667 S HA -0.129 4.341 4.470 0.000 0.000 0.319 667 S C 0.111 174.710 174.600 -0.001 0.000 1.151 667 S CA 0.761 58.949 58.200 -0.021 0.000 0.911 667 S CB -1.918 61.271 63.200 -0.018 0.000 0.939 667 S HN 0.527 nan 8.310 nan 0.000 0.524 668 I N -1.407 119.169 120.570 0.011 0.000 2.947 668 I HA 0.747 4.917 4.170 0.000 0.000 0.314 668 I C 0.836 176.956 176.117 0.005 0.000 1.028 668 I CA -0.745 60.563 61.300 0.013 0.000 1.077 668 I CB 1.074 39.090 38.000 0.027 0.000 1.274 668 I HN 0.204 nan 8.210 nan 0.000 0.485 669 T N -0.236 114.320 114.554 0.003 0.000 2.932 669 T HA 0.074 4.424 4.350 0.000 0.000 0.312 669 T C 1.064 175.763 174.700 -0.001 0.000 1.071 669 T CA 0.129 62.228 62.100 -0.002 0.000 1.128 669 T CB 0.707 69.573 68.868 -0.004 0.000 0.984 669 T HN 0.765 nan 8.240 nan 0.000 0.549 670 T N 2.418 116.969 114.554 -0.006 0.000 2.565 670 T HA -0.195 4.155 4.350 0.000 0.000 0.265 670 T C 1.589 176.286 174.700 -0.005 0.000 1.082 670 T CA 2.009 64.105 62.100 -0.006 0.000 1.173 670 T CB -0.652 68.208 68.868 -0.013 0.000 0.864 670 T HN 0.766 nan 8.240 nan 0.000 0.425 671 D N 0.978 121.373 120.400 -0.009 0.000 2.127 671 D HA -0.144 4.496 4.640 0.000 0.000 0.190 671 D C 2.192 178.489 176.300 -0.006 0.000 1.000 671 D CA 1.385 55.378 54.000 -0.012 0.000 0.839 671 D CB -0.443 40.348 40.800 -0.014 0.000 0.955 671 D HN 0.566 nan 8.370 nan 0.000 0.446 672 E N 0.663 120.863 120.200 -0.000 0.000 2.086 672 E HA -0.212 4.138 4.350 0.000 0.000 0.200 672 E C 2.135 178.743 176.600 0.014 0.000 1.012 672 E CA 1.327 57.731 56.400 0.006 0.000 0.812 672 E CB -0.126 29.581 29.700 0.010 0.000 0.743 672 E HN 0.259 nan 8.360 nan 0.000 0.453 673 A N 0.759 123.590 122.820 0.019 0.000 1.898 673 A HA -0.164 4.156 4.320 0.000 0.000 0.216 673 A C 2.387 179.987 177.584 0.026 0.000 1.181 673 A CA 1.880 53.937 52.037 0.032 0.000 0.620 673 A CB -0.871 18.151 19.000 0.037 0.000 0.819 673 A HN 0.230 nan 8.150 nan 0.000 0.442 674 T N 0.279 114.839 114.554 0.011 0.000 2.759 674 T HA -0.182 4.168 4.350 0.000 0.000 0.269 674 T C 1.695 176.392 174.700 -0.005 0.000 1.042 674 T CA 1.668 63.768 62.100 -0.001 0.000 1.140 674 T CB -0.310 68.546 68.868 -0.020 0.000 0.864 674 T HN 0.637 nan 8.240 nan 0.000 0.455 675 E N 0.512 120.709 120.200 -0.005 0.000 2.072 675 E HA -0.049 4.301 4.350 0.000 0.000 0.191 675 E C 2.231 178.836 176.600 0.009 0.000 0.985 675 E CA 0.643 57.040 56.400 -0.005 0.000 0.801 675 E CB -0.311 29.387 29.700 -0.005 0.000 0.750 675 E HN 0.261 nan 8.360 nan 0.000 0.452 676 L N 1.303 122.537 121.223 0.018 0.000 1.997 676 L HA -0.288 4.052 4.340 0.000 0.000 0.216 676 L C 2.289 179.181 176.870 0.035 0.000 1.074 676 L CA 1.450 56.306 54.840 0.025 0.000 0.763 676 L CB -0.460 41.620 42.059 0.036 0.000 0.890 676 L HN 0.199 nan 8.230 nan 0.000 0.434 677 I N -0.463 120.137 120.570 0.050 0.000 2.087 677 I HA -0.396 3.774 4.170 0.000 0.000 0.240 677 I C 2.476 178.613 176.117 0.034 0.000 1.054 677 I CA 1.788 63.137 61.300 0.081 0.000 1.311 677 I CB -1.274 36.769 38.000 0.071 0.000 1.024 677 I HN 0.360 nan 8.210 nan 0.000 0.402 678 K N 0.125 120.525 120.400 -0.000 0.000 2.074 678 K HA -0.188 4.132 4.320 0.000 0.000 0.209 678 K C 2.167 178.783 176.600 0.027 0.000 1.048 678 K CA 1.622 57.910 56.287 0.002 0.000 0.926 678 K CB -0.219 32.279 32.500 -0.003 0.000 0.713 678 K HN 0.314 nan 8.250 nan 0.000 0.444 679 M N 0.656 120.270 119.600 0.024 0.000 2.149 679 M HA -0.202 4.278 4.480 0.000 0.000 0.261 679 M C 2.075 178.386 176.300 0.018 0.000 1.064 679 M CA 1.613 56.926 55.300 0.022 0.000 1.102 679 M CB -0.498 32.111 32.600 0.014 0.000 1.369 679 M HN 0.111 nan 8.290 nan 0.000 0.408 680 L N -0.200 121.037 121.223 0.023 0.000 2.093 680 L HA -0.172 4.168 4.340 0.000 0.000 0.208 680 L C 2.442 179.334 176.870 0.037 0.000 1.085 680 L CA 1.223 56.074 54.840 0.018 0.000 0.755 680 L CB -0.752 41.340 42.059 0.055 0.000 0.904 680 L HN 0.267 nan 8.230 nan 0.000 0.435 681 K N -0.147 120.273 120.400 0.034 0.000 2.097 681 K HA -0.104 4.216 4.320 0.000 0.000 0.206 681 K C 2.056 178.670 176.600 0.024 0.000 1.049 681 K CA 1.839 58.127 56.287 0.003 0.000 0.933 681 K CB -0.255 32.187 32.500 -0.096 0.000 0.717 681 K HN 0.403 nan 8.250 nan 0.000 0.442 682 T N 0.083 114.655 114.554 0.031 0.000 2.985 682 T HA -0.084 4.266 4.350 0.000 0.000 0.266 682 T C 2.013 176.728 174.700 0.025 0.000 1.076 682 T CA 1.263 63.381 62.100 0.030 0.000 1.135 682 T CB -0.094 68.799 68.868 0.042 0.000 0.890 682 T HN 0.233 nan 8.240 nan 0.000 0.480 683 S N 0.539 116.250 115.700 0.019 0.000 2.562 683 S HA 0.397 4.867 4.470 0.000 0.000 0.221 683 S C 2.029 176.646 174.600 0.027 0.000 0.975 683 S CA 0.591 58.800 58.200 0.015 0.000 0.918 683 S CB -0.355 62.840 63.200 -0.009 0.000 0.772 683 S HN 0.775 nan 8.310 nan 0.000 0.531 684 G N 2.234 111.053 108.800 0.031 0.000 2.317 684 G HA2 -0.329 3.631 3.960 0.000 0.000 0.227 684 G HA3 -0.329 3.631 3.960 0.000 0.000 0.227 684 G C 1.077 175.983 174.900 0.011 0.000 1.042 684 G CA 0.137 45.277 45.100 0.067 0.000 0.623 684 G HN 0.470 nan 8.290 nan 0.000 0.509 685 R N -0.479 119.915 120.500 -0.177 0.000 2.185 685 R HA -0.095 4.245 4.340 0.000 0.000 0.247 685 R C 1.001 177.142 176.300 -0.266 0.000 1.159 685 R CA 1.448 57.202 56.100 -0.577 0.000 0.988 685 R CB -0.146 29.791 30.300 -0.604 0.000 0.871 685 R HN 0.566 nan 8.270 nan 0.000 0.458 686 Y N 1.657 121.840 120.300 -0.196 0.000 2.712 686 Y HA 0.201 4.751 4.550 0.000 0.000 0.328 686 Y C -0.714 175.153 175.900 -0.056 0.000 0.995 686 Y CA -1.059 56.971 58.100 -0.117 0.000 1.283 686 Y CB 0.516 38.941 38.460 -0.059 0.000 1.092 686 Y HN -0.023 nan 8.280 nan 0.000 0.519 687 Q N 3.983 123.910 119.800 0.211 0.000 2.230 687 Q HA 0.318 4.658 4.340 0.000 0.000 0.253 687 Q C -1.082 175.211 176.000 0.489 0.000 0.919 687 Q CA -0.588 55.361 55.803 0.244 0.000 0.908 687 Q CB 1.937 30.701 28.738 0.042 0.000 1.245 687 Q HN 0.634 nan 8.270 nan 0.000 0.437 688 E N 1.450 121.914 120.200 0.440 0.000 2.220 688 E HA 0.130 4.480 4.350 0.000 0.000 0.256 688 E C -1.566 175.143 176.600 0.181 0.000 0.881 688 E CA -0.320 56.300 56.400 0.366 0.000 0.766 688 E CB 1.208 31.046 29.700 0.230 0.000 1.187 688 E HN 0.375 nan 8.360 nan 0.000 0.419 689 D N 3.504 123.850 120.400 -0.091 0.000 2.540 689 D HA 0.235 4.875 4.640 0.000 0.000 0.251 689 D C -1.290 174.992 176.300 -0.029 0.000 1.159 689 D CA -0.259 53.550 54.000 -0.317 0.000 0.974 689 D CB 0.573 40.621 40.800 -1.253 0.000 0.996 689 D HN 0.065 nan 8.370 nan 0.000 0.512 690 V N 3.127 123.083 119.914 0.071 0.000 2.881 690 V HA 0.836 4.956 4.120 0.000 0.000 0.316 690 V C -0.799 175.400 176.094 0.174 0.000 1.070 690 V CA -0.491 61.761 62.300 -0.080 0.000 0.976 690 V CB 1.537 33.265 31.823 -0.159 0.000 1.038 690 V HN 0.614 nan 8.190 nan 0.000 0.446 691 W N 0.000 121.315 121.300 0.025 0.000 2.388 691 W HA 0.000 4.660 4.660 0.000 0.000 0.303 691 W CA 0.000 57.395 57.345 0.083 0.000 1.226 691 W CB 0.000 29.471 29.460 0.019 0.000 1.126 691 W HN 0.000 nan 8.180 nan 0.000 0.535