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 1ksi_1_B DATA FIRST_RESID 6 DATA SEQUENCE VQHPLDPLTK EEFLAVQTIV QNKYPISNNR LAFHYIGLDD PEKDHVLRYE DATA SEQUENCE THPTLVSIPR KIFVVAIINS QTHEILINLR IRSIVSDNIH NGYGFPILSV DATA SEQUENCE DEQSLAIKLP LKYPPFIDSV KKRGLNLSEI VcSSFTMGWF GEEKNVRTVR DATA SEQUENCE LDcFMKESTV NIYVRPITGI TIVADLDLMK IVEYHDRDIE AVPTAENTEY DATA SEQUENCE QVSKQSPPFG PKQHSLTSHQ PQGPGFQING HSVSWANWKF HIGFDVRAGI DATA SEQUENCE VISLASIYDL EKHKSRRVLY KGYISELFVP YQDPTEEFYF KTFFDSGEFG DATA SEQUENCE FGLSTVSLIP NRDcPPHAQF IDTYVHSANG TPILLKNAIc VFEQYGNIMW DATA SEQUENCE RHTENGIPNE SIEESRTEVN LIVRTIVTVG NXDNVIDWEF KASGSIKPSI DATA SEQUENCE ALSGILEIKG TNIKHKDEIK EDLHGKLVSA NSIGIYHDHF YIYYLDFDID DATA SEQUENCE GTHNSFEKTS LKTVRIKDGS SKRKSYWTTE TQTAKTESDA KITIGLAPAE DATA SEQUENCE LVVVNPNIKT AVGNEVGYRL IPAIPAHPLL TEDDYPQIRG AFTNYNVWVT DATA SEQUENCE AYNRTEKWAG GLYVDHSRGD DTLAVWTKQN REIVNKDIVM WHVVGIHHVP DATA SEQUENCE AQEDFPIMPL LSTSFELRPT NFFERNPVLK TLSPRDVAWP GC 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 176.135 176.094 0.069 0.000 1.182 6 V CA 0.000 62.326 62.300 0.043 0.000 1.235 6 V CB 0.000 31.827 31.823 0.007 0.000 1.184 7 Q N 1.772 121.647 119.800 0.125 0.000 2.172 7 Q HA 0.066 4.407 4.340 0.002 0.000 0.200 7 Q C 0.509 176.631 176.000 0.203 0.000 0.964 7 Q CA 1.584 57.484 55.803 0.161 0.000 0.855 7 Q CB 0.173 29.028 28.738 0.195 0.000 0.918 7 Q HN 0.854 nan 8.270 nan 0.000 0.444 8 H N -1.602 117.501 119.070 0.056 0.000 2.894 8 H HA 0.134 4.691 4.556 0.002 0.000 0.367 8 H C -2.297 172.935 175.328 -0.161 0.000 1.144 8 H CA -2.032 53.999 56.048 -0.029 0.000 1.180 8 H CB 2.330 32.125 29.762 0.054 0.000 1.758 8 H HN -0.235 nan 8.280 nan 0.000 0.541 9 P HA -0.072 nan 4.420 nan 0.000 0.222 9 P C 1.081 178.264 177.300 -0.195 0.000 1.142 9 P CA 1.100 63.939 63.100 -0.435 0.000 0.788 9 P CB 0.327 31.639 31.700 -0.647 0.000 0.767 10 L N -2.363 118.844 121.223 -0.026 0.000 2.766 10 L HA 0.209 4.550 4.340 0.002 0.000 0.242 10 L C 0.365 177.265 176.870 0.050 0.000 1.136 10 L CA -0.368 54.432 54.840 -0.067 0.000 0.933 10 L CB -0.168 41.754 42.059 -0.228 0.000 1.241 10 L HN -0.163 nan 8.230 nan 0.000 0.522 11 D N 2.157 122.637 120.400 0.132 0.000 2.419 11 D HA 0.086 4.727 4.640 0.002 0.000 0.236 11 D C -1.943 174.334 176.300 -0.038 0.000 1.165 11 D CA -0.911 53.152 54.000 0.105 0.000 0.882 11 D CB 0.493 41.319 40.800 0.042 0.000 1.201 11 D HN -0.037 nan 8.370 nan 0.000 0.443 12 P HA 0.022 nan 4.420 nan 0.000 0.270 12 P C -0.127 177.136 177.300 -0.061 0.000 1.223 12 P CA -0.201 62.871 63.100 -0.047 0.000 0.785 12 P CB 0.473 32.184 31.700 0.017 0.000 0.923 13 L N 0.950 122.121 121.223 -0.086 0.000 2.455 13 L HA 0.126 4.467 4.340 0.002 0.000 0.272 13 L C 1.572 178.370 176.870 -0.119 0.000 1.174 13 L CA -0.100 54.579 54.840 -0.269 0.000 0.869 13 L CB -0.404 41.175 42.059 -0.801 0.000 1.130 13 L HN 0.482 nan 8.230 nan 0.000 0.474 14 T N -0.932 113.550 114.554 -0.120 0.000 2.788 14 T HA 0.132 4.483 4.350 0.002 0.000 0.280 14 T C 1.000 175.625 174.700 -0.126 0.000 0.984 14 T CA -0.724 61.353 62.100 -0.038 0.000 0.972 14 T CB 1.612 70.456 68.868 -0.042 0.000 1.039 14 T HN 0.681 nan 8.240 nan 0.000 0.530 15 K N 0.315 120.498 120.400 -0.361 0.000 2.044 15 K HA -0.214 4.107 4.320 0.002 0.000 0.210 15 K C 1.981 178.474 176.600 -0.178 0.000 1.049 15 K CA 2.049 58.023 56.287 -0.522 0.000 0.927 15 K CB -0.307 31.758 32.500 -0.725 0.000 0.713 15 K HN 0.703 nan 8.250 nan 0.000 0.443 16 E N 0.756 120.869 120.200 -0.145 0.000 2.160 16 E HA -0.178 4.173 4.350 0.002 0.000 0.195 16 E C 1.768 178.314 176.600 -0.090 0.000 0.991 16 E CA 1.526 57.872 56.400 -0.089 0.000 0.810 16 E CB -0.033 29.626 29.700 -0.068 0.000 0.742 16 E HN 0.454 nan 8.360 nan 0.000 0.466 17 E N -0.633 119.485 120.200 -0.137 0.000 2.152 17 E HA -0.094 4.257 4.350 0.002 0.000 0.192 17 E C 1.476 177.953 176.600 -0.206 0.000 0.983 17 E CA 0.497 56.780 56.400 -0.195 0.000 0.818 17 E CB -0.104 29.420 29.700 -0.293 0.000 0.758 17 E HN 0.208 nan 8.360 nan 0.000 0.467 18 F N 0.771 120.633 119.950 -0.148 0.000 2.146 18 F HA -0.118 4.410 4.527 0.002 0.000 0.298 18 F C 2.005 177.690 175.800 -0.191 0.000 1.096 18 F CA 0.929 58.822 58.000 -0.177 0.000 1.275 18 F CB -0.300 38.604 39.000 -0.159 0.000 1.008 18 F HN -0.022 nan 8.300 nan 0.000 0.480 19 L N -0.647 120.589 121.223 0.023 0.000 1.994 19 L HA -0.206 4.135 4.340 0.002 0.000 0.208 19 L C 2.738 179.589 176.870 -0.032 0.000 1.071 19 L CA 1.274 56.100 54.840 -0.023 0.000 0.745 19 L CB -1.263 40.779 42.059 -0.028 0.000 0.892 19 L HN 0.104 nan 8.230 nan 0.000 0.431 20 A N -0.379 122.417 122.820 -0.039 0.000 1.986 20 A HA -0.166 4.155 4.320 0.002 0.000 0.220 20 A C 2.337 179.904 177.584 -0.029 0.000 1.171 20 A CA 1.940 53.958 52.037 -0.032 0.000 0.640 20 A CB -0.810 18.165 19.000 -0.042 0.000 0.811 20 A HN 0.238 nan 8.150 nan 0.000 0.451 21 V N -0.569 119.310 119.914 -0.058 0.000 2.488 21 V HA -0.235 3.886 4.120 0.002 0.000 0.246 21 V C 2.609 178.686 176.094 -0.028 0.000 1.046 21 V CA 2.048 64.315 62.300 -0.054 0.000 1.053 21 V CB -0.578 31.178 31.823 -0.112 0.000 0.679 21 V HN 0.737 nan 8.190 nan 0.000 0.458 22 Q N -0.183 119.560 119.800 -0.095 0.000 1.967 22 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 22 Q C 2.337 178.398 176.000 0.101 0.000 0.985 22 Q CA 2.535 58.312 55.803 -0.043 0.000 0.839 22 Q CB -0.324 28.354 28.738 -0.099 0.000 0.906 22 Q HN 0.598 nan 8.270 nan 0.000 0.423 23 T N 1.539 116.123 114.554 0.050 0.000 2.592 23 T HA -0.229 4.122 4.350 0.002 0.000 0.267 23 T C 1.807 176.550 174.700 0.071 0.000 1.060 23 T CA 1.875 64.007 62.100 0.054 0.000 1.167 23 T CB -0.393 68.490 68.868 0.025 0.000 0.863 23 T HN 0.298 nan 8.240 nan 0.000 0.431 24 I N 0.480 121.090 120.570 0.066 0.000 2.264 24 I HA -0.147 4.024 4.170 0.002 0.000 0.248 24 I C 2.329 178.518 176.117 0.120 0.000 1.111 24 I CA 0.959 62.302 61.300 0.073 0.000 1.382 24 I CB -0.246 37.788 38.000 0.056 0.000 1.060 24 I HN 0.132 nan 8.210 nan 0.000 0.418 25 V N -0.230 119.794 119.914 0.182 0.000 2.649 25 V HA -0.176 3.945 4.120 0.002 0.000 0.248 25 V C 2.230 178.466 176.094 0.236 0.000 1.054 25 V CA 1.281 63.727 62.300 0.244 0.000 1.073 25 V CB -0.392 31.616 31.823 0.309 0.000 0.699 25 V HN 0.416 nan 8.190 nan 0.000 0.463 26 Q N -0.042 119.875 119.800 0.195 0.000 2.224 26 Q HA -0.147 4.194 4.340 0.002 0.000 0.203 26 Q C 2.091 178.148 176.000 0.094 0.000 0.970 26 Q CA 1.158 57.049 55.803 0.146 0.000 0.865 26 Q CB -0.102 28.715 28.738 0.132 0.000 0.922 26 Q HN 0.619 nan 8.270 nan 0.000 0.445 27 N N 0.919 119.662 118.700 0.071 0.000 2.142 27 N HA -0.158 4.583 4.740 0.002 0.000 0.186 27 N C 1.459 176.958 175.510 -0.017 0.000 1.023 27 N CA 1.173 54.239 53.050 0.025 0.000 0.852 27 N CB -0.098 38.399 38.487 0.017 0.000 0.998 27 N HN 0.189 nan 8.380 nan 0.000 0.424 28 K N -0.591 119.794 120.400 -0.025 0.000 2.418 28 K HA -0.017 4.304 4.320 0.002 0.000 0.195 28 K C -0.536 175.789 176.600 -0.458 0.000 1.035 28 K CA 0.569 56.712 56.287 -0.241 0.000 1.003 28 K CB 0.230 32.569 32.500 -0.268 0.000 0.793 28 K HN 0.108 nan 8.250 nan 0.000 0.494 29 Y N 0.546 120.827 120.300 -0.031 0.000 2.563 29 Y HA 0.335 4.886 4.550 0.002 0.000 0.351 29 Y C -2.647 173.227 175.900 -0.044 0.000 1.087 29 Y CA -2.818 55.247 58.100 -0.058 0.000 1.272 29 Y CB 1.149 39.538 38.460 -0.117 0.000 1.095 29 Y HN -0.005 nan 8.280 nan 0.000 0.620 30 P HA 0.077 nan 4.420 nan 0.000 0.268 30 P C 0.961 178.289 177.300 0.046 0.000 1.204 30 P CA 0.158 63.286 63.100 0.047 0.000 0.768 30 P CB 0.779 32.490 31.700 0.018 0.000 0.842 31 I N 0.532 121.126 120.570 0.040 0.000 3.291 31 I HA -0.090 4.081 4.170 0.002 0.000 0.279 31 I C 1.640 177.768 176.117 0.019 0.000 1.294 31 I CA 0.773 62.089 61.300 0.026 0.000 1.428 31 I CB -0.780 37.236 38.000 0.027 0.000 1.070 31 I HN 0.181 nan 8.210 nan 0.000 0.478 32 S N 1.891 117.603 115.700 0.019 0.000 2.368 32 S HA -0.119 4.352 4.470 0.002 0.000 0.224 32 S C 1.528 176.134 174.600 0.011 0.000 1.029 32 S CA 1.555 59.763 58.200 0.013 0.000 0.988 32 S CB -0.964 62.242 63.200 0.011 0.000 0.838 32 S HN 0.654 nan 8.310 nan 0.000 0.462 33 N N 1.525 120.233 118.700 0.014 0.000 2.325 33 N HA 0.225 4.966 4.740 0.002 0.000 0.182 33 N C -0.371 175.149 175.510 0.018 0.000 1.088 33 N CA 0.031 53.089 53.050 0.013 0.000 0.879 33 N CB 0.166 38.661 38.487 0.013 0.000 0.983 33 N HN 0.391 nan 8.380 nan 0.000 0.471 34 N N 0.726 119.438 118.700 0.020 0.000 2.265 34 N HA 0.307 5.048 4.740 0.002 0.000 0.300 34 N C -0.950 174.547 175.510 -0.021 0.000 1.148 34 N CA -0.544 52.513 53.050 0.011 0.000 0.772 34 N CB 1.886 40.402 38.487 0.048 0.000 1.434 34 N HN -0.075 nan 8.380 nan 0.000 0.481 35 R N 1.055 121.528 120.500 -0.044 0.000 2.205 35 R HA 0.330 4.671 4.340 0.002 0.000 0.342 35 R C -0.761 175.467 176.300 -0.120 0.000 1.058 35 R CA -0.542 55.523 56.100 -0.060 0.000 0.904 35 R CB 0.372 30.643 30.300 -0.049 0.000 1.089 35 R HN 0.294 nan 8.270 nan 0.000 0.471 36 L N 2.709 123.851 121.223 -0.135 0.000 2.319 36 L HA 0.654 4.995 4.340 0.002 0.000 0.281 36 L C -1.075 175.656 176.870 -0.232 0.000 1.005 36 L CA -0.456 54.229 54.840 -0.258 0.000 0.828 36 L CB 1.662 43.558 42.059 -0.271 0.000 1.227 36 L HN 0.671 nan 8.230 nan 0.000 0.415 37 A N 4.806 127.487 122.820 -0.232 0.000 2.343 37 A HA 0.681 5.002 4.320 0.002 0.000 0.308 37 A C -1.262 176.276 177.584 -0.077 0.000 1.092 37 A CA -0.396 51.595 52.037 -0.076 0.000 0.751 37 A CB 0.407 19.483 19.000 0.127 0.000 1.203 37 A HN 0.520 nan 8.150 nan 0.000 0.452 38 F N 2.521 122.480 119.950 0.015 0.000 2.438 38 F HA 0.242 4.770 4.527 0.002 0.000 0.360 38 F C 1.545 177.346 175.800 0.002 0.000 1.118 38 F CA 0.311 58.293 58.000 -0.030 0.000 1.164 38 F CB 0.601 39.484 39.000 -0.196 0.000 1.131 38 F HN 0.737 nan 8.300 nan 0.000 0.527 39 H N 2.479 121.683 119.070 0.223 0.000 2.547 39 H HA 0.035 4.592 4.556 0.002 0.000 0.272 39 H C -0.742 174.834 175.328 0.414 0.000 0.971 39 H CA 0.728 56.936 56.048 0.266 0.000 1.245 39 H CB 0.699 30.562 29.762 0.168 0.000 1.440 39 H HN 0.581 nan 8.280 nan 0.000 0.540 40 Y N 0.318 120.784 120.300 0.278 0.000 2.314 40 Y HA 0.295 4.846 4.550 0.002 0.000 0.317 40 Y C -2.007 173.968 175.900 0.125 0.000 1.234 40 Y CA -0.792 57.469 58.100 0.269 0.000 1.111 40 Y CB 0.565 39.122 38.460 0.161 0.000 1.283 40 Y HN -0.145 nan 8.280 nan 0.000 0.418 41 I N 6.698 127.047 120.570 -0.367 0.000 2.448 41 I HA 0.766 4.937 4.170 0.002 0.000 0.281 41 I C 0.152 175.947 176.117 -0.537 0.000 1.027 41 I CA -0.523 60.545 61.300 -0.386 0.000 1.111 41 I CB 1.535 39.410 38.000 -0.208 0.000 1.236 41 I HN 0.780 nan 8.210 nan 0.000 0.452 42 G N 4.803 113.218 108.800 -0.643 0.000 2.766 42 G HA2 0.609 4.571 3.960 0.002 0.000 0.288 42 G HA3 0.609 4.571 3.960 0.002 0.000 0.288 42 G C -1.668 173.236 174.900 0.008 0.000 1.408 42 G CA -0.886 44.036 45.100 -0.297 0.000 0.852 42 G HN 0.302 nan 8.290 nan 0.000 0.487 43 L N 0.816 122.060 121.223 0.036 0.000 2.462 43 L HA 0.344 4.685 4.340 0.002 0.000 0.272 43 L C -0.119 176.808 176.870 0.095 0.000 1.166 43 L CA -0.292 54.567 54.840 0.032 0.000 0.880 43 L CB 0.868 42.923 42.059 -0.007 0.000 1.142 43 L HN 0.498 nan 8.230 nan 0.000 0.473 44 D N 3.095 123.542 120.400 0.078 0.000 2.317 44 D HA 0.074 4.716 4.640 0.002 0.000 0.252 44 D C -0.760 175.532 176.300 -0.013 0.000 1.174 44 D CA -0.292 53.739 54.000 0.053 0.000 0.866 44 D CB 0.519 41.362 40.800 0.071 0.000 1.127 44 D HN 0.415 nan 8.370 nan 0.000 0.467 45 D N 5.460 125.833 120.400 -0.044 0.000 2.451 45 D HA 0.079 4.720 4.640 0.002 0.000 0.254 45 D C -1.897 174.380 176.300 -0.039 0.000 1.204 45 D CA -0.727 53.248 54.000 -0.042 0.000 0.896 45 D CB 0.387 41.156 40.800 -0.053 0.000 1.136 45 D HN 0.358 nan 8.370 nan 0.000 0.499 46 P HA 0.011 nan 4.420 nan 0.000 0.269 46 P C -0.131 177.143 177.300 -0.043 0.000 1.217 46 P CA -0.097 62.965 63.100 -0.063 0.000 0.783 46 P CB 0.623 32.285 31.700 -0.065 0.000 0.898 47 E N 0.623 120.737 120.200 -0.143 0.000 2.384 47 E HA -0.033 4.318 4.350 0.002 0.000 0.266 47 E C 1.366 177.970 176.600 0.007 0.000 1.012 47 E CA -0.016 56.320 56.400 -0.107 0.000 0.901 47 E CB 0.386 29.916 29.700 -0.283 0.000 0.967 47 E HN 0.344 nan 8.360 nan 0.000 0.435 48 K N 3.068 123.464 120.400 -0.007 0.000 2.044 48 K HA -0.254 4.067 4.320 0.002 0.000 0.210 48 K C 0.724 177.308 176.600 -0.027 0.000 1.049 48 K CA 1.988 58.197 56.287 -0.131 0.000 0.927 48 K CB 0.081 32.269 32.500 -0.520 0.000 0.713 48 K HN 0.508 nan 8.250 nan 0.000 0.443 49 D N -0.020 120.403 120.400 0.038 0.000 2.158 49 D HA -0.182 4.459 4.640 0.002 0.000 0.197 49 D C 1.882 178.298 176.300 0.193 0.000 0.995 49 D CA 1.424 55.489 54.000 0.109 0.000 0.846 49 D CB -0.590 40.314 40.800 0.174 0.000 0.941 49 D HN 0.442 nan 8.370 nan 0.000 0.456 50 H N -0.111 118.979 119.070 0.034 0.000 2.395 50 H HA 0.045 4.602 4.556 0.002 0.000 0.299 50 H C 2.330 177.712 175.328 0.091 0.000 1.070 50 H CA 0.468 56.550 56.048 0.056 0.000 1.356 50 H CB -0.475 29.305 29.762 0.030 0.000 1.401 50 H HN -0.014 nan 8.280 nan 0.000 0.524 51 V N 0.818 120.867 119.914 0.224 0.000 2.295 51 V HA -0.214 3.907 4.120 0.002 0.000 0.246 51 V C 2.471 178.717 176.094 0.253 0.000 1.049 51 V CA 1.528 63.955 62.300 0.211 0.000 1.024 51 V CB -0.695 31.282 31.823 0.256 0.000 0.648 51 V HN 0.299 nan 8.190 nan 0.000 0.447 52 L N -0.535 120.803 121.223 0.191 0.000 2.046 52 L HA -0.204 4.137 4.340 0.002 0.000 0.208 52 L C 2.735 179.664 176.870 0.099 0.000 1.077 52 L CA 1.807 56.732 54.840 0.142 0.000 0.747 52 L CB -0.623 41.478 42.059 0.070 0.000 0.896 52 L HN 0.214 nan 8.230 nan 0.000 0.432 53 R N -0.843 119.717 120.500 0.100 0.000 2.092 53 R HA -0.216 4.125 4.340 0.002 0.000 0.231 53 R C 2.427 178.770 176.300 0.071 0.000 1.119 53 R CA 1.489 57.632 56.100 0.072 0.000 0.970 53 R CB -0.366 29.981 30.300 0.077 0.000 0.864 53 R HN 0.300 nan 8.270 nan 0.000 0.440 54 Y N 1.549 121.860 120.300 0.018 0.000 2.224 54 Y HA -0.206 4.345 4.550 0.002 0.000 0.289 54 Y C 1.928 177.822 175.900 -0.011 0.000 1.146 54 Y CA 1.523 59.628 58.100 0.007 0.000 1.182 54 Y CB -0.008 38.439 38.460 -0.021 0.000 0.983 54 Y HN 0.041 nan 8.280 nan 0.000 0.524 55 E N -0.342 119.834 120.200 -0.041 0.000 2.085 55 E HA -0.230 4.121 4.350 0.002 0.000 0.194 55 E C 2.300 178.770 176.600 -0.216 0.000 0.994 55 E CA 2.116 58.467 56.400 -0.082 0.000 0.801 55 E CB -0.579 29.175 29.700 0.090 0.000 0.743 55 E HN 0.636 nan 8.360 nan 0.000 0.453 56 T N -1.268 113.110 114.554 -0.293 0.000 3.054 56 T HA -0.069 4.282 4.350 0.002 0.000 0.259 56 T C 0.710 175.001 174.700 -0.682 0.000 1.092 56 T CA 0.428 62.235 62.100 -0.489 0.000 1.121 56 T CB 0.077 68.586 68.868 -0.598 0.000 0.912 56 T HN 0.073 nan 8.240 nan 0.000 0.489 57 H N 0.425 119.418 119.070 -0.128 0.000 2.439 57 H HA 0.320 4.877 4.556 0.002 0.000 0.228 57 H C -2.503 172.695 175.328 -0.218 0.000 1.423 57 H CA -1.879 54.093 56.048 -0.126 0.000 1.386 57 H CB 1.213 30.938 29.762 -0.061 0.000 1.641 57 H HN 0.247 nan 8.280 nan 0.000 0.508 58 P HA -0.161 nan 4.420 nan 0.000 0.214 58 P C 1.753 178.984 177.300 -0.114 0.000 1.163 58 P CA 2.126 64.854 63.100 -0.620 0.000 0.889 58 P CB 0.032 31.416 31.700 -0.527 0.000 0.790 59 T N -2.972 111.554 114.554 -0.048 0.000 3.139 59 T HA -0.031 4.320 4.350 0.002 0.000 0.267 59 T C 0.870 175.593 174.700 0.037 0.000 1.164 59 T CA 0.860 62.972 62.100 0.020 0.000 1.075 59 T CB -0.531 68.344 68.868 0.012 0.000 0.904 59 T HN -0.073 nan 8.240 nan 0.000 0.540 60 L N 0.415 121.668 121.223 0.051 0.000 3.439 60 L HA 0.461 4.802 4.340 0.002 0.000 0.313 60 L C -0.599 176.313 176.870 0.070 0.000 1.292 60 L CA -0.226 54.640 54.840 0.043 0.000 1.020 60 L CB 0.278 42.337 42.059 -0.001 0.000 1.424 60 L HN 0.118 nan 8.230 nan 0.000 0.612 61 V N -0.830 119.158 119.914 0.123 0.000 2.668 61 V HA 0.500 4.621 4.120 0.002 0.000 0.304 61 V C -0.050 176.159 176.094 0.192 0.000 1.071 61 V CA -0.350 62.046 62.300 0.161 0.000 0.894 61 V CB 2.384 34.337 31.823 0.218 0.000 1.008 61 V HN 0.163 nan 8.190 nan 0.000 0.425 62 S N 5.038 120.804 115.700 0.111 0.000 2.530 62 S HA 0.725 5.197 4.470 0.002 0.000 0.322 62 S C -0.522 174.109 174.600 0.052 0.000 1.085 62 S CA -0.387 57.855 58.200 0.072 0.000 1.096 62 S CB 0.585 63.815 63.200 0.051 0.000 0.988 62 S HN 0.558 nan 8.310 nan 0.000 0.466 63 I N 5.818 126.383 120.570 -0.009 0.000 2.389 63 I HA 0.371 4.542 4.170 0.002 0.000 0.288 63 I C -2.033 174.055 176.117 -0.048 0.000 0.999 63 I CA -2.280 59.006 61.300 -0.024 0.000 1.129 63 I CB 1.828 39.766 38.000 -0.104 0.000 1.288 63 I HN 0.387 nan 8.210 nan 0.000 0.444 64 P HA 0.230 nan 4.420 nan 0.000 0.276 64 P C -0.744 176.528 177.300 -0.046 0.000 1.230 64 P CA -0.583 62.501 63.100 -0.028 0.000 0.776 64 P CB 0.724 32.418 31.700 -0.010 0.000 0.888 65 R N 3.262 123.731 120.500 -0.051 0.000 2.343 65 R HA 0.176 4.517 4.340 0.002 0.000 0.326 65 R C 0.471 176.747 176.300 -0.040 0.000 1.055 65 R CA 0.195 56.260 56.100 -0.058 0.000 0.961 65 R CB 0.127 30.387 30.300 -0.067 0.000 0.978 65 R HN 0.458 nan 8.270 nan 0.000 0.443 66 K N 3.597 123.979 120.400 -0.030 0.000 2.159 66 K HA 0.472 4.793 4.320 0.002 0.000 0.266 66 K C -0.053 176.555 176.600 0.014 0.000 0.975 66 K CA -0.814 55.472 56.287 -0.002 0.000 0.865 66 K CB 1.725 34.229 32.500 0.007 0.000 1.087 66 K HN 0.241 nan 8.250 nan 0.000 0.446 67 I N 2.706 123.300 120.570 0.040 0.000 2.545 67 I HA 0.309 4.480 4.170 0.002 0.000 0.292 67 I C -0.658 175.561 176.117 0.170 0.000 1.040 67 I CA -0.889 60.445 61.300 0.057 0.000 1.068 67 I CB 1.129 39.115 38.000 -0.024 0.000 1.251 67 I HN 0.516 nan 8.210 nan 0.000 0.424 68 F N 6.590 126.586 119.950 0.077 0.000 2.404 68 F HA 0.595 5.123 4.527 0.002 0.000 0.354 68 F C -0.483 175.443 175.800 0.209 0.000 1.122 68 F CA -0.564 57.530 58.000 0.158 0.000 1.080 68 F CB 1.179 40.307 39.000 0.213 0.000 1.131 68 F HN 0.131 nan 8.300 nan 0.000 0.471 69 V N 6.796 126.518 119.914 -0.319 0.000 2.459 69 V HA 0.474 4.595 4.120 0.002 0.000 0.295 69 V C -0.635 175.215 176.094 -0.407 0.000 1.029 69 V CA -0.915 61.257 62.300 -0.212 0.000 0.874 69 V CB 1.447 33.261 31.823 -0.016 0.000 0.985 69 V HN 0.531 nan 8.190 nan 0.000 0.438 70 V N 3.962 123.810 119.914 -0.109 0.000 2.357 70 V HA 0.837 4.958 4.120 0.002 0.000 0.284 70 V C 0.286 176.431 176.094 0.086 0.000 1.018 70 V CA -0.326 61.955 62.300 -0.031 0.000 0.841 70 V CB 1.387 33.256 31.823 0.076 0.000 0.991 70 V HN 1.028 nan 8.190 nan 0.000 0.437 71 A N 5.886 128.700 122.820 -0.009 0.000 2.371 71 A HA 0.858 5.179 4.320 0.002 0.000 0.311 71 A C -0.772 176.745 177.584 -0.112 0.000 1.068 71 A CA -0.597 51.371 52.037 -0.116 0.000 0.744 71 A CB 1.099 19.870 19.000 -0.383 0.000 1.239 71 A HN 0.764 nan 8.150 nan 0.000 0.435 72 I N 2.848 123.357 120.570 -0.102 0.000 2.312 72 I HA 0.305 4.476 4.170 0.002 0.000 0.291 72 I C -0.772 175.220 176.117 -0.208 0.000 1.031 72 I CA 0.055 61.270 61.300 -0.142 0.000 1.293 72 I CB 0.745 38.630 38.000 -0.191 0.000 1.403 72 I HN 0.469 nan 8.210 nan 0.000 0.484 73 I N 7.044 127.466 120.570 -0.246 0.000 2.410 73 I HA 0.250 4.422 4.170 0.002 0.000 0.286 73 I C -0.332 175.681 176.117 -0.174 0.000 1.009 73 I CA -0.589 60.502 61.300 -0.348 0.000 1.111 73 I CB 1.222 38.759 38.000 -0.771 0.000 1.262 73 I HN 0.593 nan 8.210 nan 0.000 0.443 74 N N 4.267 122.899 118.700 -0.113 0.000 2.714 74 N HA -0.215 4.526 4.740 0.002 0.000 0.252 74 N C 0.436 175.924 175.510 -0.037 0.000 1.014 74 N CA 1.187 54.207 53.050 -0.051 0.000 0.735 74 N CB -1.015 37.462 38.487 -0.017 0.000 0.924 74 N HN 0.801 nan 8.380 nan 0.000 0.540 75 S N -2.645 113.022 115.700 -0.054 0.000 3.270 75 S HA -0.276 4.195 4.470 0.002 0.000 0.293 75 S C 0.182 174.771 174.600 -0.018 0.000 1.278 75 S CA 1.541 59.713 58.200 -0.046 0.000 1.038 75 S CB -0.797 62.378 63.200 -0.041 0.000 1.218 75 S HN 0.734 nan 8.310 nan 0.000 0.659 76 Q N 0.246 120.051 119.800 0.008 0.000 2.345 76 Q HA 0.527 4.868 4.340 0.002 0.000 0.268 76 Q C -0.562 175.509 176.000 0.117 0.000 1.054 76 Q CA -0.563 55.272 55.803 0.053 0.000 0.835 76 Q CB 1.401 30.184 28.738 0.075 0.000 1.339 76 Q HN 0.124 nan 8.270 nan 0.000 0.447 77 T N 2.555 117.155 114.554 0.077 0.000 2.723 77 T HA 0.202 4.553 4.350 0.002 0.000 0.297 77 T C -0.603 174.189 174.700 0.153 0.000 0.925 77 T CA -0.248 61.912 62.100 0.100 0.000 1.030 77 T CB -0.083 68.826 68.868 0.069 0.000 0.905 77 T HN 0.313 nan 8.240 nan 0.000 0.502 78 H N 2.384 121.417 119.070 -0.062 0.000 2.463 78 H HA 0.288 4.846 4.556 0.002 0.000 0.332 78 H C -0.090 175.211 175.328 -0.045 0.000 1.127 78 H CA -0.695 55.324 56.048 -0.049 0.000 1.238 78 H CB 1.638 31.323 29.762 -0.129 0.000 1.478 78 H HN 0.567 nan 8.280 nan 0.000 0.499 79 E N 3.535 123.793 120.200 0.096 0.000 2.063 79 E HA 0.270 4.621 4.350 0.002 0.000 0.265 79 E C -0.540 176.074 176.600 0.023 0.000 0.919 79 E CA -0.251 56.152 56.400 0.006 0.000 0.756 79 E CB 1.006 30.845 29.700 0.232 0.000 1.120 79 E HN 0.337 nan 8.360 nan 0.000 0.414 80 I N 3.443 123.959 120.570 -0.090 0.000 2.441 80 I HA 0.258 4.430 4.170 0.002 0.000 0.295 80 I C -0.765 175.375 176.117 0.039 0.000 0.994 80 I CA -1.049 60.266 61.300 0.024 0.000 1.144 80 I CB 1.294 39.314 38.000 0.033 0.000 1.314 80 I HN 0.290 nan 8.210 nan 0.000 0.445 81 L N 8.236 129.536 121.223 0.128 0.000 2.298 81 L HA 0.595 4.936 4.340 0.002 0.000 0.284 81 L C -0.751 176.181 176.870 0.103 0.000 1.013 81 L CA -0.025 54.912 54.840 0.162 0.000 0.824 81 L CB 0.863 43.040 42.059 0.196 0.000 1.221 81 L HN 0.384 nan 8.230 nan 0.000 0.418 82 I N 4.433 125.053 120.570 0.083 0.000 2.437 82 I HA 0.369 4.541 4.170 0.002 0.000 0.298 82 I C -0.133 176.006 176.117 0.037 0.000 0.984 82 I CA -0.649 60.684 61.300 0.054 0.000 1.214 82 I CB 1.618 39.642 38.000 0.040 0.000 1.365 82 I HN 0.587 nan 8.210 nan 0.000 0.469 83 N N 6.441 125.157 118.700 0.026 0.000 2.609 83 N HA 0.261 5.003 4.740 0.002 0.000 0.234 83 N C 0.356 175.868 175.510 0.002 0.000 1.001 83 N CA -0.248 52.810 53.050 0.013 0.000 0.926 83 N CB 1.134 39.630 38.487 0.015 0.000 1.130 83 N HN 0.649 nan 8.380 nan 0.000 0.510 84 L N 2.302 123.519 121.223 -0.011 0.000 2.456 84 L HA -0.012 4.330 4.340 0.002 0.000 0.224 84 L C 2.442 179.304 176.870 -0.014 0.000 1.148 84 L CA 0.477 55.306 54.840 -0.018 0.000 0.825 84 L CB -0.097 41.940 42.059 -0.038 0.000 0.937 84 L HN 0.511 nan 8.230 nan 0.000 0.450 85 R N 1.452 121.946 120.500 -0.010 0.000 2.062 85 R HA -0.149 4.192 4.340 0.002 0.000 0.231 85 R C 2.097 178.397 176.300 -0.001 0.000 1.136 85 R CA 1.754 57.851 56.100 -0.006 0.000 0.948 85 R CB -0.146 30.152 30.300 -0.002 0.000 0.845 85 R HN 0.483 nan 8.270 nan 0.000 0.430 86 I N -2.214 118.358 120.570 0.003 0.000 3.793 86 I HA 0.160 4.332 4.170 0.002 0.000 0.315 86 I C -0.202 175.919 176.117 0.006 0.000 1.275 86 I CA 0.066 61.370 61.300 0.006 0.000 1.214 86 I CB 0.158 38.163 38.000 0.009 0.000 1.018 86 I HN 0.190 nan 8.210 nan 0.000 0.439 87 R N 2.218 122.720 120.500 0.003 0.000 3.422 87 R HA -0.145 4.196 4.340 0.002 0.000 0.267 87 R C -0.370 175.937 176.300 0.012 0.000 1.074 87 R CA 0.878 56.981 56.100 0.005 0.000 0.718 87 R CB -1.871 28.430 30.300 0.003 0.000 1.157 87 R HN 0.834 nan 8.270 nan 0.000 0.440 88 S N -1.188 114.522 115.700 0.018 0.000 2.550 88 S HA 0.574 5.045 4.470 0.002 0.000 0.270 88 S C 0.045 174.667 174.600 0.036 0.000 1.145 88 S CA -1.096 57.119 58.200 0.025 0.000 0.852 88 S CB 2.103 65.315 63.200 0.020 0.000 1.119 88 S HN 0.215 nan 8.310 nan 0.000 0.465 89 I N 3.249 123.848 120.570 0.048 0.000 2.581 89 I HA 0.071 4.242 4.170 0.002 0.000 0.285 89 I C 1.430 177.582 176.117 0.058 0.000 1.129 89 I CA -0.159 61.180 61.300 0.065 0.000 1.397 89 I CB 1.234 39.286 38.000 0.087 0.000 1.399 89 I HN 0.719 nan 8.210 nan 0.000 0.537 90 V N 2.496 122.446 119.914 0.060 0.000 3.660 90 V HA 0.240 4.361 4.120 0.002 0.000 0.276 90 V C 0.515 176.645 176.094 0.061 0.000 1.317 90 V CA 0.462 62.793 62.300 0.052 0.000 1.097 90 V CB 0.274 32.123 31.823 0.044 0.000 0.863 90 V HN 0.717 nan 8.190 nan 0.000 0.438 91 S N -0.261 115.487 115.700 0.080 0.000 2.552 91 S HA 0.566 5.037 4.470 0.002 0.000 0.272 91 S C -2.268 172.397 174.600 0.109 0.000 1.150 91 S CA -0.233 58.020 58.200 0.087 0.000 0.849 91 S CB 2.238 65.491 63.200 0.088 0.000 1.113 91 S HN 0.477 nan 8.310 nan 0.000 0.458 92 D N 1.811 122.275 120.400 0.106 0.000 2.354 92 D HA 0.377 5.018 4.640 0.002 0.000 0.230 92 D C -1.504 174.838 176.300 0.071 0.000 1.361 92 D CA -0.077 54.003 54.000 0.134 0.000 0.992 92 D CB 0.608 41.525 40.800 0.195 0.000 1.409 92 D HN 0.713 nan 8.370 nan 0.000 0.573 93 N N 2.171 120.889 118.700 0.031 0.000 2.265 93 N HA 0.590 5.331 4.740 0.002 0.000 0.300 93 N C -0.554 174.867 175.510 -0.149 0.000 1.148 93 N CA -0.658 52.368 53.050 -0.039 0.000 0.772 93 N CB 2.383 40.884 38.487 0.023 0.000 1.434 93 N HN 0.200 nan 8.380 nan 0.000 0.481 94 I N 0.776 121.214 120.570 -0.221 0.000 2.385 94 I HA 0.099 4.271 4.170 0.002 0.000 0.294 94 I C 0.057 176.110 176.117 -0.108 0.000 0.988 94 I CA -0.509 60.624 61.300 -0.279 0.000 1.265 94 I CB 0.849 38.644 38.000 -0.342 0.000 1.388 94 I HN 0.492 nan 8.210 nan 0.000 0.480 95 H N 7.057 126.026 119.070 -0.169 0.000 2.652 95 H HA 0.252 4.809 4.556 0.002 0.000 0.298 95 H C -0.498 174.676 175.328 -0.257 0.000 1.076 95 H CA -0.263 55.669 56.048 -0.194 0.000 1.360 95 H CB 0.880 30.488 29.762 -0.256 0.000 1.421 95 H HN 0.577 nan 8.280 nan 0.000 0.464 96 N N 3.466 121.767 118.700 -0.667 0.000 2.251 96 N HA 0.082 4.823 4.740 0.002 0.000 0.217 96 N C 0.628 175.671 175.510 -0.778 0.000 1.124 96 N CA 0.048 52.719 53.050 -0.630 0.000 0.843 96 N CB 1.020 39.295 38.487 -0.353 0.000 1.024 96 N HN 0.713 nan 8.380 nan 0.000 0.501 97 G N -0.570 107.584 108.800 -1.077 0.000 2.583 97 G HA2 0.339 4.300 3.960 0.002 0.000 0.280 97 G HA3 0.339 4.300 3.960 0.002 0.000 0.280 97 G C -0.538 173.845 174.900 -0.863 0.000 1.376 97 G CA -0.290 44.349 45.100 -0.769 0.000 1.043 97 G HN 0.001 nan 8.290 nan 0.000 0.538 98 Y N -0.204 119.911 120.300 -0.309 0.000 2.299 98 Y HA 0.450 5.001 4.550 0.002 0.000 0.335 98 Y C 1.137 176.803 175.900 -0.390 0.000 1.287 98 Y CA 0.443 58.309 58.100 -0.389 0.000 1.424 98 Y CB 0.394 38.629 38.460 -0.375 0.000 1.326 98 Y HN 1.137 nan 8.280 nan 0.000 0.567 99 G N 0.296 108.849 108.800 -0.411 0.000 2.716 99 G HA2 -0.087 3.874 3.960 0.002 0.000 0.686 99 G HA3 -0.087 3.874 3.960 0.002 0.000 0.686 99 G C -1.465 173.033 174.900 -0.670 0.000 1.337 99 G CA -1.092 43.773 45.100 -0.392 0.000 0.829 99 G HN 0.416 nan 8.290 nan 0.000 0.599 100 F N 1.310 121.320 119.950 0.099 0.000 2.640 100 F HA 0.760 5.288 4.527 0.002 0.000 0.324 100 F C -1.584 174.312 175.800 0.161 0.000 1.077 100 F CA -1.815 56.217 58.000 0.053 0.000 0.965 100 F CB 1.748 40.776 39.000 0.048 0.000 1.351 100 F HN 0.469 nan 8.300 nan 0.000 0.487 101 P HA 0.081 nan 4.420 nan 0.000 0.272 101 P C -0.168 177.242 177.300 0.182 0.000 1.248 101 P CA -0.034 63.219 63.100 0.254 0.000 0.799 101 P CB 0.582 32.404 31.700 0.203 0.000 0.997 102 I N 0.060 120.722 120.570 0.153 0.000 2.683 102 I HA -0.061 4.110 4.170 0.002 0.000 0.286 102 I C 1.127 177.352 176.117 0.179 0.000 1.175 102 I CA 0.046 61.395 61.300 0.081 0.000 1.429 102 I CB -0.369 37.682 38.000 0.085 0.000 1.371 102 I HN 0.107 nan 8.210 nan 0.000 0.569 103 L N 5.600 126.834 121.223 0.018 0.000 2.492 103 L HA 0.040 4.381 4.340 0.002 0.000 0.280 103 L C 0.876 177.775 176.870 0.048 0.000 1.240 103 L CA 0.019 54.900 54.840 0.068 0.000 0.831 103 L CB -0.047 41.965 42.059 -0.079 0.000 1.100 103 L HN 0.739 nan 8.230 nan 0.000 0.505 104 S N 0.294 115.993 115.700 -0.001 0.000 2.722 104 S HA 0.377 4.848 4.470 0.002 0.000 0.292 104 S C 0.793 175.399 174.600 0.010 0.000 1.135 104 S CA -0.990 57.153 58.200 -0.094 0.000 1.003 104 S CB 1.870 64.932 63.200 -0.230 0.000 1.067 104 S HN 0.306 nan 8.310 nan 0.000 0.546 105 V N 1.443 121.364 119.914 0.011 0.000 2.270 105 V HA -0.140 3.982 4.120 0.002 0.000 0.245 105 V C 2.027 178.148 176.094 0.045 0.000 1.043 105 V CA 2.367 64.695 62.300 0.047 0.000 1.014 105 V CB -1.309 30.532 31.823 0.029 0.000 0.645 105 V HN 0.917 nan 8.190 nan 0.000 0.447 106 D N 0.753 121.168 120.400 0.025 0.000 2.126 106 D HA -0.276 4.365 4.640 0.002 0.000 0.190 106 D C 2.080 178.400 176.300 0.033 0.000 1.001 106 D CA 1.898 55.914 54.000 0.027 0.000 0.841 106 D CB -0.436 40.377 40.800 0.022 0.000 0.949 106 D HN 0.785 nan 8.370 nan 0.000 0.446 107 E N 0.820 121.042 120.200 0.036 0.000 2.110 107 E HA -0.272 4.079 4.350 0.002 0.000 0.193 107 E C 1.938 178.565 176.600 0.045 0.000 0.988 107 E CA 1.002 57.427 56.400 0.041 0.000 0.804 107 E CB -0.427 29.308 29.700 0.058 0.000 0.745 107 E HN 0.371 nan 8.360 nan 0.000 0.458 108 Q N 0.742 120.582 119.800 0.065 0.000 2.167 108 Q HA -0.054 4.287 4.340 0.002 0.000 0.202 108 Q C 2.301 178.343 176.000 0.070 0.000 0.970 108 Q CA 1.517 57.371 55.803 0.086 0.000 0.855 108 Q CB 0.064 28.886 28.738 0.139 0.000 0.911 108 Q HN 0.237 nan 8.270 nan 0.000 0.438 109 S N 0.816 116.552 115.700 0.060 0.000 2.419 109 S HA -0.074 4.398 4.470 0.002 0.000 0.233 109 S C 1.828 176.446 174.600 0.030 0.000 1.016 109 S CA 0.868 59.096 58.200 0.048 0.000 0.974 109 S CB -0.054 63.170 63.200 0.040 0.000 0.786 109 S HN 0.277 nan 8.310 nan 0.000 0.492 110 L N 0.750 121.986 121.223 0.022 0.000 2.162 110 L HA 0.117 4.458 4.340 0.002 0.000 0.205 110 L C 2.721 179.587 176.870 -0.007 0.000 1.086 110 L CA 0.819 55.663 54.840 0.007 0.000 0.778 110 L CB -0.628 41.433 42.059 0.004 0.000 0.928 110 L HN 0.274 nan 8.230 nan 0.000 0.446 111 A N 1.264 124.082 122.820 -0.003 0.000 1.972 111 A HA -0.189 4.132 4.320 0.002 0.000 0.219 111 A C 2.182 179.740 177.584 -0.043 0.000 1.169 111 A CA 1.838 53.859 52.037 -0.028 0.000 0.635 111 A CB -0.813 18.177 19.000 -0.016 0.000 0.810 111 A HN 0.573 nan 8.150 nan 0.000 0.446 112 I N -3.494 117.069 120.570 -0.013 0.000 3.001 112 I HA -0.077 4.094 4.170 0.002 0.000 0.268 112 I C 1.574 177.669 176.117 -0.037 0.000 1.267 112 I CA 1.335 62.622 61.300 -0.021 0.000 1.472 112 I CB -0.152 37.865 38.000 0.029 0.000 1.089 112 I HN 0.065 nan 8.210 nan 0.000 0.468 113 K N 1.420 121.804 120.400 -0.027 0.000 2.365 113 K HA 0.154 4.475 4.320 0.002 0.000 0.197 113 K C 1.986 178.559 176.600 -0.045 0.000 1.042 113 K CA 0.713 56.987 56.287 -0.021 0.000 0.987 113 K CB -0.097 32.402 32.500 -0.003 0.000 0.779 113 K HN 0.403 nan 8.250 nan 0.000 0.484 114 L N 1.032 122.206 121.223 -0.081 0.000 2.081 114 L HA -0.159 4.183 4.340 0.002 0.000 0.212 114 L C -0.723 176.065 176.870 -0.136 0.000 1.080 114 L CA 1.450 56.223 54.840 -0.111 0.000 0.754 114 L CB -1.528 40.433 42.059 -0.163 0.000 0.893 114 L HN 0.076 nan 8.230 nan 0.000 0.433 115 P HA -0.072 nan 4.420 nan 0.000 0.225 115 P C 1.736 179.029 177.300 -0.012 0.000 1.156 115 P CA 0.970 63.855 63.100 -0.358 0.000 0.787 115 P CB 0.136 31.292 31.700 -0.907 0.000 0.802 116 L N -1.275 119.971 121.223 0.039 0.000 2.395 116 L HA -0.009 4.332 4.340 0.002 0.000 0.218 116 L C 1.508 178.458 176.870 0.132 0.000 1.130 116 L CA 0.991 55.919 54.840 0.146 0.000 0.826 116 L CB -0.470 41.642 42.059 0.088 0.000 0.941 116 L HN -0.106 nan 8.230 nan 0.000 0.451 117 K N -0.945 119.522 120.400 0.111 0.000 2.358 117 K HA 0.146 4.467 4.320 0.002 0.000 0.200 117 K C -0.483 176.198 176.600 0.135 0.000 1.030 117 K CA -0.128 56.216 56.287 0.094 0.000 1.097 117 K CB 0.154 32.692 32.500 0.064 0.000 0.862 117 K HN 0.014 nan 8.250 nan 0.000 0.534 118 Y N 2.240 122.543 120.300 0.005 0.000 2.367 118 Y HA 0.220 4.771 4.550 0.002 0.000 0.342 118 Y C -1.779 174.099 175.900 -0.037 0.000 0.979 118 Y CA -2.711 55.367 58.100 -0.038 0.000 1.161 118 Y CB 1.451 39.865 38.460 -0.076 0.000 1.155 118 Y HN -0.060 nan 8.280 nan 0.000 0.503 119 P HA -0.128 nan 4.420 nan 0.000 0.215 119 P C -1.510 175.568 177.300 -0.371 0.000 1.157 119 P CA 1.851 64.755 63.100 -0.326 0.000 0.868 119 P CB -0.537 30.968 31.700 -0.325 0.000 0.788 120 P HA -0.156 nan 4.420 nan 0.000 0.218 120 P C 1.479 178.573 177.300 -0.342 0.000 1.149 120 P CA 1.068 63.821 63.100 -0.578 0.000 0.817 120 P CB -0.437 30.702 31.700 -0.934 0.000 0.785 121 F N 0.333 120.068 119.950 -0.358 0.000 2.094 121 F HA -0.036 4.492 4.527 0.002 0.000 0.291 121 F C 2.143 177.948 175.800 0.007 0.000 1.109 121 F CA 1.024 59.031 58.000 0.011 0.000 1.221 121 F CB -0.962 38.137 39.000 0.165 0.000 1.014 121 F HN -0.301 nan 8.300 nan 0.000 0.473 122 I N 0.423 121.010 120.570 0.028 0.000 2.300 122 I HA -0.366 3.805 4.170 0.002 0.000 0.252 122 I C 1.814 177.843 176.117 -0.148 0.000 1.119 122 I CA 1.636 62.885 61.300 -0.085 0.000 1.384 122 I CB -0.612 37.372 38.000 -0.026 0.000 1.062 122 I HN 0.173 nan 8.210 nan 0.000 0.426 123 D N 0.212 120.532 120.400 -0.133 0.000 2.149 123 D HA -0.098 4.543 4.640 0.002 0.000 0.201 123 D C 2.408 178.638 176.300 -0.116 0.000 0.972 123 D CA 1.027 54.961 54.000 -0.111 0.000 0.835 123 D CB -0.108 40.636 40.800 -0.093 0.000 0.966 123 D HN 0.135 nan 8.370 nan 0.000 0.476 124 S N -0.106 115.516 115.700 -0.130 0.000 2.359 124 S HA -0.120 4.351 4.470 0.002 0.000 0.224 124 S C 2.262 176.732 174.600 -0.216 0.000 1.035 124 S CA 0.605 58.734 58.200 -0.118 0.000 1.018 124 S CB -0.218 62.974 63.200 -0.012 0.000 0.876 124 S HN 0.062 nan 8.310 nan 0.000 0.448 125 V N 2.149 121.837 119.914 -0.377 0.000 2.255 125 V HA -0.233 3.888 4.120 0.002 0.000 0.247 125 V C 2.273 178.264 176.094 -0.172 0.000 1.051 125 V CA 1.768 63.870 62.300 -0.330 0.000 1.018 125 V CB -0.538 31.035 31.823 -0.417 0.000 0.641 125 V HN 0.475 nan 8.190 nan 0.000 0.445 126 K N -0.101 120.214 120.400 -0.141 0.000 2.097 126 K HA -0.193 4.128 4.320 0.002 0.000 0.205 126 K C 2.243 178.802 176.600 -0.069 0.000 1.050 126 K CA 1.158 57.393 56.287 -0.087 0.000 0.938 126 K CB -0.258 32.198 32.500 -0.073 0.000 0.718 126 K HN 0.324 nan 8.250 nan 0.000 0.442 127 K N 1.521 121.879 120.400 -0.070 0.000 2.211 127 K HA -0.142 4.179 4.320 0.002 0.000 0.204 127 K C 1.775 178.348 176.600 -0.045 0.000 1.047 127 K CA 1.257 57.515 56.287 -0.049 0.000 0.935 127 K CB 0.100 32.575 32.500 -0.041 0.000 0.728 127 K HN 0.068 nan 8.250 nan 0.000 0.452 128 R N -1.210 119.254 120.500 -0.060 0.000 2.300 128 R HA 0.048 4.389 4.340 0.002 0.000 0.199 128 R C 0.785 177.060 176.300 -0.042 0.000 0.920 128 R CA 0.538 56.608 56.100 -0.050 0.000 1.046 128 R CB 0.495 30.757 30.300 -0.063 0.000 0.984 128 R HN 0.397 nan 8.270 nan 0.000 0.493 129 G N 1.461 110.234 108.800 -0.046 0.000 2.176 129 G HA2 -0.266 3.695 3.960 0.002 0.000 0.252 129 G HA3 -0.266 3.695 3.960 0.002 0.000 0.252 129 G C -0.084 174.796 174.900 -0.033 0.000 1.024 129 G CA -0.079 45.000 45.100 -0.034 0.000 0.755 129 G HN 0.147 nan 8.290 nan 0.000 0.507 130 L N -0.023 121.172 121.223 -0.048 0.000 2.343 130 L HA 0.423 4.764 4.340 0.002 0.000 0.275 130 L C 0.656 177.506 176.870 -0.033 0.000 1.056 130 L CA -1.214 53.603 54.840 -0.037 0.000 0.804 130 L CB 1.187 43.216 42.059 -0.049 0.000 1.203 130 L HN 0.152 nan 8.230 nan 0.000 0.440 131 N N 2.299 120.991 118.700 -0.013 0.000 2.399 131 N HA -0.003 4.738 4.740 0.002 0.000 0.259 131 N C 0.555 176.068 175.510 0.005 0.000 1.160 131 N CA -0.029 53.018 53.050 -0.005 0.000 0.946 131 N CB 0.893 39.382 38.487 0.004 0.000 1.156 131 N HN 0.568 nan 8.380 nan 0.000 0.489 132 L N 3.586 124.810 121.223 0.001 0.000 2.187 132 L HA -0.138 4.203 4.340 0.002 0.000 0.213 132 L C 1.958 178.853 176.870 0.043 0.000 1.100 132 L CA 1.585 56.440 54.840 0.025 0.000 0.765 132 L CB -0.501 41.571 42.059 0.022 0.000 0.904 132 L HN 0.705 nan 8.230 nan 0.000 0.437 133 S N -2.052 113.665 115.700 0.029 0.000 2.607 133 S HA 0.047 4.518 4.470 0.002 0.000 0.224 133 S C 1.039 175.660 174.600 0.035 0.000 0.969 133 S CA 0.219 58.439 58.200 0.032 0.000 0.927 133 S CB -0.251 62.962 63.200 0.022 0.000 0.772 133 S HN 0.404 nan 8.310 nan 0.000 0.533 134 E N 0.815 121.038 120.200 0.039 0.000 2.869 134 E HA 0.424 4.775 4.350 0.002 0.000 0.207 134 E C -0.594 176.042 176.600 0.060 0.000 0.986 134 E CA -0.151 56.274 56.400 0.041 0.000 1.131 134 E CB 0.437 30.157 29.700 0.032 0.000 1.098 134 E HN 0.560 nan 8.360 nan 0.000 0.459 135 I N 0.497 121.113 120.570 0.077 0.000 2.460 135 I HA 0.333 4.504 4.170 0.002 0.000 0.298 135 I C -0.175 176.004 176.117 0.103 0.000 0.989 135 I CA -0.933 60.431 61.300 0.107 0.000 1.173 135 I CB 1.954 40.047 38.000 0.155 0.000 1.338 135 I HN -0.299 nan 8.210 nan 0.000 0.456 136 V N 4.310 124.299 119.914 0.124 0.000 2.925 136 V HA 0.490 4.611 4.120 0.002 0.000 0.311 136 V C -0.708 175.479 176.094 0.155 0.000 1.104 136 V CA -0.534 61.839 62.300 0.121 0.000 0.954 136 V CB 2.124 34.009 31.823 0.103 0.000 1.022 136 V HN 0.851 nan 8.190 nan 0.000 0.427 137 c N 1.453 120.117 118.600 0.107 0.000 2.848 137 c HA 0.885 5.456 4.570 0.002 0.000 0.317 137 c C 0.255 174.434 174.090 0.148 0.000 1.260 137 c CA -0.535 55.826 56.329 0.053 0.000 1.656 137 c CB 2.113 44.565 42.510 -0.096 0.000 2.174 137 c HN 0.851 nan 8.230 nan 0.000 0.479 138 S N 0.246 116.034 115.700 0.147 0.000 2.549 138 S HA 0.669 5.141 4.470 0.002 0.000 0.280 138 S C -0.843 173.845 174.600 0.147 0.000 1.109 138 S CA -0.306 58.043 58.200 0.249 0.000 0.905 138 S CB 1.673 65.202 63.200 0.548 0.000 1.081 138 S HN 0.807 nan 8.310 nan 0.000 0.477 139 S N 2.735 118.604 115.700 0.283 0.000 2.499 139 S HA 0.657 5.128 4.470 0.002 0.000 0.279 139 S C -1.174 173.814 174.600 0.646 0.000 1.219 139 S CA -0.475 57.901 58.200 0.293 0.000 1.062 139 S CB 0.152 63.498 63.200 0.243 0.000 0.978 139 S HN 0.454 nan 8.310 nan 0.000 0.489 140 F N 2.121 122.276 119.950 0.341 0.000 2.507 140 F HA 0.394 4.922 4.527 0.002 0.000 0.325 140 F C 1.211 177.232 175.800 0.368 0.000 1.116 140 F CA -1.731 56.605 58.000 0.559 0.000 0.930 140 F CB 1.249 40.699 39.000 0.749 0.000 1.146 140 F HN 0.625 nan 8.300 nan 0.000 0.447 141 T N 0.032 114.783 114.554 0.328 0.000 2.795 141 T HA 0.254 4.605 4.350 0.002 0.000 0.314 141 T C 0.746 175.678 174.700 0.387 0.000 1.069 141 T CA -0.268 61.932 62.100 0.168 0.000 1.071 141 T CB 0.802 69.612 68.868 -0.097 0.000 0.988 141 T HN 0.645 nan 8.240 nan 0.000 0.543 142 M N 0.664 120.393 119.600 0.214 0.000 2.260 142 M HA 0.341 4.822 4.480 0.002 0.000 0.326 142 M C 1.398 177.925 176.300 0.378 0.000 0.930 142 M CA 0.242 55.741 55.300 0.333 0.000 1.051 142 M CB 0.395 33.109 32.600 0.189 0.000 1.748 142 M HN 1.154 nan 8.290 nan 0.000 0.606 143 G N 1.982 110.861 108.800 0.131 0.000 2.547 143 G HA2 -0.302 3.659 3.960 0.002 0.000 0.271 143 G HA3 -0.302 3.659 3.960 0.002 0.000 0.271 143 G C -1.161 173.947 174.900 0.346 0.000 1.209 143 G CA 0.190 45.404 45.100 0.190 0.000 0.959 143 G HN 0.532 nan 8.290 nan 0.000 0.563 144 W N -0.928 120.359 121.300 -0.023 0.000 3.425 144 W HA 0.713 5.374 4.660 0.002 0.000 0.318 144 W C -1.363 174.908 176.519 -0.414 0.000 1.201 144 W CA -1.260 56.071 57.345 -0.023 0.000 1.212 144 W CB 0.709 30.151 29.460 -0.030 0.000 1.355 144 W HN 0.470 nan 8.180 nan 0.000 0.515 145 F N 5.800 125.022 119.950 -1.214 0.000 2.790 145 F HA 0.442 4.970 4.527 0.002 0.000 0.371 145 F C 1.226 175.827 175.800 -1.998 0.000 1.293 145 F CA 0.308 57.373 58.000 -1.558 0.000 1.205 145 F CB 1.140 39.783 39.000 -0.595 0.000 1.047 145 F HN 0.797 nan 8.300 nan 0.000 0.510 146 G N -0.291 106.956 108.800 -2.588 0.000 2.345 146 G HA2 -0.253 3.709 3.960 0.002 0.000 0.218 146 G HA3 -0.253 3.709 3.960 0.002 0.000 0.218 146 G C 0.463 175.246 174.900 -0.195 0.000 1.058 146 G CA -0.022 44.458 45.100 -1.034 0.000 0.632 146 G HN 0.376 nan 8.290 nan 0.000 0.508 147 E N 1.668 121.746 120.200 -0.203 0.000 2.485 147 E HA 0.056 4.407 4.350 0.002 0.000 0.266 147 E C 0.705 177.471 176.600 0.277 0.000 1.090 147 E CA 0.770 57.211 56.400 0.068 0.000 0.987 147 E CB 0.501 30.234 29.700 0.055 0.000 0.974 147 E HN 0.416 nan 8.360 nan 0.000 0.455 148 E N 1.457 121.754 120.200 0.162 0.000 2.140 148 E HA -0.004 4.347 4.350 0.002 0.000 0.191 148 E C 0.199 176.872 176.600 0.121 0.000 0.973 148 E CA 0.434 56.912 56.400 0.129 0.000 0.829 148 E CB 0.014 29.768 29.700 0.090 0.000 0.781 148 E HN 0.451 nan 8.360 nan 0.000 0.466 149 K N 1.764 122.237 120.400 0.122 0.000 2.542 149 K HA -0.064 4.257 4.320 0.002 0.000 0.276 149 K C 0.426 177.104 176.600 0.130 0.000 0.963 149 K CA 0.477 56.830 56.287 0.109 0.000 0.975 149 K CB 0.158 32.714 32.500 0.093 0.000 0.901 149 K HN -0.086 nan 8.250 nan 0.000 0.506 150 N N 1.182 119.959 118.700 0.128 0.000 2.687 150 N HA 0.110 4.852 4.740 0.002 0.000 0.275 150 N C -1.477 174.194 175.510 0.269 0.000 1.789 150 N CA -0.447 52.714 53.050 0.186 0.000 0.806 150 N CB 0.621 39.227 38.487 0.200 0.000 1.256 150 N HN 0.421 nan 8.380 nan 0.000 0.500 151 V N -0.731 119.237 119.914 0.090 0.000 2.919 151 V HA 0.658 4.779 4.120 0.002 0.000 0.316 151 V C 0.309 176.089 176.094 -0.523 0.000 1.077 151 V CA -1.001 61.232 62.300 -0.112 0.000 0.977 151 V CB 1.817 33.578 31.823 -0.103 0.000 1.039 151 V HN 0.189 nan 8.190 nan 0.000 0.441 152 R N 2.424 122.497 120.500 -0.713 0.000 4.792 152 R HA 0.235 4.576 4.340 0.002 0.000 0.205 152 R C 0.242 176.393 176.300 -0.249 0.000 1.875 152 R CA 0.234 55.915 56.100 -0.698 0.000 1.588 152 R CB -0.739 29.124 30.300 -0.728 0.000 1.401 152 R HN 0.971 nan 8.270 nan 0.000 0.834 153 T N -2.149 112.331 114.554 -0.125 0.000 2.918 153 T HA 0.555 4.906 4.350 0.002 0.000 0.283 153 T C 0.400 175.194 174.700 0.158 0.000 1.001 153 T CA -0.805 61.301 62.100 0.011 0.000 1.041 153 T CB 1.933 70.804 68.868 0.005 0.000 1.028 153 T HN 0.102 nan 8.240 nan 0.000 0.511 154 V N -0.980 118.967 119.914 0.054 0.000 3.078 154 V HA 0.736 4.857 4.120 0.002 0.000 0.311 154 V C -0.700 175.362 176.094 -0.054 0.000 1.138 154 V CA -1.515 60.813 62.300 0.047 0.000 1.007 154 V CB 2.054 33.913 31.823 0.060 0.000 1.045 154 V HN 0.909 nan 8.190 nan 0.000 0.432 155 R N 1.900 122.336 120.500 -0.108 0.000 2.459 155 R HA 0.702 5.044 4.340 0.002 0.000 0.281 155 R C -1.043 175.150 176.300 -0.178 0.000 1.050 155 R CA -0.514 55.428 56.100 -0.262 0.000 1.055 155 R CB 1.494 31.413 30.300 -0.635 0.000 1.045 155 R HN 0.772 nan 8.270 nan 0.000 0.495 156 L N 2.050 123.121 121.223 -0.253 0.000 2.341 156 L HA 0.404 4.745 4.340 0.002 0.000 0.278 156 L C -0.597 176.037 176.870 -0.394 0.000 1.005 156 L CA -0.760 53.910 54.840 -0.284 0.000 0.818 156 L CB 1.938 43.848 42.059 -0.250 0.000 1.259 156 L HN 0.343 nan 8.230 nan 0.000 0.418 157 D N 1.253 121.346 120.400 -0.511 0.000 2.498 157 D HA 0.581 5.222 4.640 0.002 0.000 0.247 157 D C -1.120 174.783 176.300 -0.661 0.000 1.070 157 D CA -0.039 53.591 54.000 -0.617 0.000 0.842 157 D CB 2.134 42.442 40.800 -0.820 0.000 1.361 157 D HN 0.369 nan 8.370 nan 0.000 0.484 158 c N 1.575 119.744 118.600 -0.717 0.000 2.719 158 c HA 0.740 5.311 4.570 0.002 0.000 0.327 158 c C -0.869 172.738 174.090 -0.804 0.000 1.238 158 c CA -0.728 55.262 56.329 -0.564 0.000 1.727 158 c CB 0.549 42.984 42.510 -0.125 0.000 2.256 158 c HN 0.493 nan 8.230 nan 0.000 0.489 159 F N 0.920 120.880 119.950 0.017 0.000 2.613 159 F HA 0.572 5.100 4.527 0.002 0.000 0.310 159 F C -0.036 175.771 175.800 0.012 0.000 1.085 159 F CA -0.912 57.089 58.000 0.002 0.000 0.945 159 F CB 1.014 39.969 39.000 -0.075 0.000 1.298 159 F HN 0.167 nan 8.300 nan 0.000 0.455 160 M N 2.083 121.797 119.600 0.191 0.000 2.235 160 M HA 0.227 4.708 4.480 0.002 0.000 0.351 160 M C -0.015 176.346 176.300 0.101 0.000 1.178 160 M CA -0.132 55.238 55.300 0.117 0.000 1.143 160 M CB 1.037 33.688 32.600 0.085 0.000 1.530 160 M HN 0.594 nan 8.290 nan 0.000 0.461 161 K N 2.916 123.357 120.400 0.067 0.000 3.022 161 K HA 0.257 4.578 4.320 0.002 0.000 0.178 161 K C -0.144 176.473 176.600 0.028 0.000 1.089 161 K CA 0.088 56.398 56.287 0.038 0.000 0.916 161 K CB 0.596 33.111 32.500 0.026 0.000 1.159 161 K HN 0.658 nan 8.250 nan 0.000 0.592 162 E N -0.362 119.855 120.200 0.028 0.000 2.048 162 E HA -0.057 4.294 4.350 0.002 0.000 0.193 162 E C 1.336 177.942 176.600 0.009 0.000 0.956 162 E CA 0.989 57.401 56.400 0.020 0.000 0.846 162 E CB 0.093 29.806 29.700 0.022 0.000 0.827 162 E HN 0.396 nan 8.360 nan 0.000 0.466 163 S N 0.036 115.742 115.700 0.009 0.000 2.496 163 S HA 0.013 4.484 4.470 0.002 0.000 0.224 163 S C 1.009 175.602 174.600 -0.012 0.000 0.996 163 S CA 0.211 58.411 58.200 -0.000 0.000 0.927 163 S CB 0.168 63.370 63.200 0.004 0.000 0.774 163 S HN 0.141 nan 8.310 nan 0.000 0.524 164 T N 1.302 115.850 114.554 -0.010 0.000 2.925 164 T HA 0.451 4.802 4.350 0.002 0.000 0.285 164 T C 0.850 175.526 174.700 -0.040 0.000 1.021 164 T CA -0.390 61.690 62.100 -0.033 0.000 1.042 164 T CB 1.598 70.459 68.868 -0.013 0.000 1.037 164 T HN 0.152 nan 8.240 nan 0.000 0.481 165 V N 1.696 121.561 119.914 -0.082 0.000 3.623 165 V HA 0.381 4.502 4.120 0.002 0.000 0.271 165 V C 1.004 177.098 176.094 -0.001 0.000 1.248 165 V CA 0.018 62.283 62.300 -0.058 0.000 1.156 165 V CB -0.865 30.904 31.823 -0.090 0.000 0.870 165 V HN 0.695 nan 8.190 nan 0.000 0.453 166 N N 2.058 120.770 118.700 0.021 0.000 3.124 166 N HA 0.229 4.970 4.740 0.002 0.000 0.284 166 N C 1.105 176.623 175.510 0.012 0.000 1.209 166 N CA -0.002 53.115 53.050 0.112 0.000 1.149 166 N CB 0.180 38.753 38.487 0.145 0.000 1.434 166 N HN 0.782 nan 8.380 nan 0.000 0.529 167 I N -0.931 119.556 120.570 -0.138 0.000 2.439 167 I HA -0.152 4.020 4.170 0.002 0.000 0.251 167 I C 0.779 176.613 176.117 -0.471 0.000 1.139 167 I CA 1.001 62.134 61.300 -0.279 0.000 1.438 167 I CB -0.475 37.272 38.000 -0.422 0.000 1.085 167 I HN 0.088 nan 8.210 nan 0.000 0.427 168 Y N 2.110 122.210 120.300 -0.333 0.000 2.483 168 Y HA -0.060 4.490 4.550 0.002 0.000 0.291 168 Y C 2.448 178.347 175.900 -0.002 0.000 1.143 168 Y CA 1.267 59.136 58.100 -0.386 0.000 1.289 168 Y CB -0.619 37.684 38.460 -0.263 0.000 0.983 168 Y HN 0.258 nan 8.280 nan 0.000 0.556 169 V N -2.493 117.524 119.914 0.172 0.000 3.621 169 V HA 0.262 4.383 4.120 0.002 0.000 0.285 169 V C 0.621 176.871 176.094 0.260 0.000 1.346 169 V CA -0.030 62.427 62.300 0.261 0.000 1.104 169 V CB -0.076 31.911 31.823 0.273 0.000 0.913 169 V HN 0.194 nan 8.190 nan 0.000 0.432 170 R N 2.295 122.943 120.500 0.247 0.000 2.983 170 R HA 0.377 4.718 4.340 0.002 0.000 0.300 170 R C -2.750 173.747 176.300 0.328 0.000 1.367 170 R CA -1.648 54.596 56.100 0.240 0.000 1.564 170 R CB 0.780 31.181 30.300 0.170 0.000 1.314 170 R HN 0.405 nan 8.270 nan 0.000 0.622 171 P HA 0.063 nan 4.420 nan 0.000 0.271 171 P C -0.080 177.257 177.300 0.062 0.000 1.218 171 P CA 0.052 63.301 63.100 0.248 0.000 0.780 171 P CB 1.120 32.986 31.700 0.277 0.000 0.901 172 I N 2.241 122.762 120.570 -0.082 0.000 2.282 172 I HA 0.125 4.296 4.170 0.002 0.000 0.290 172 I C 0.747 176.825 176.117 -0.066 0.000 1.090 172 I CA 0.047 61.319 61.300 -0.047 0.000 1.231 172 I CB 0.119 38.099 38.000 -0.034 0.000 1.434 172 I HN 0.164 nan 8.210 nan 0.000 0.487 173 T N 3.935 118.472 114.554 -0.028 0.000 2.909 173 T HA 0.507 4.858 4.350 0.002 0.000 0.286 173 T C 0.930 175.610 174.700 -0.033 0.000 1.002 173 T CA 0.258 62.338 62.100 -0.033 0.000 1.074 173 T CB 1.528 70.410 68.868 0.025 0.000 0.984 173 T HN 0.925 nan 8.240 nan 0.000 0.495 174 G N 2.066 110.834 108.800 -0.053 0.000 2.159 174 G HA2 -0.139 3.822 3.960 0.002 0.000 0.170 174 G HA3 -0.139 3.822 3.960 0.002 0.000 0.170 174 G C -0.082 174.780 174.900 -0.062 0.000 1.007 174 G CA -0.662 44.413 45.100 -0.041 0.000 0.672 174 G HN 0.679 nan 8.290 nan 0.000 0.507 175 I N 2.288 122.802 120.570 -0.093 0.000 2.411 175 I HA 0.318 4.490 4.170 0.002 0.000 0.284 175 I C 0.154 176.154 176.117 -0.197 0.000 1.012 175 I CA -0.728 60.481 61.300 -0.152 0.000 1.119 175 I CB 1.871 39.822 38.000 -0.080 0.000 1.261 175 I HN -0.025 nan 8.210 nan 0.000 0.448 176 T N 7.351 121.788 114.554 -0.195 0.000 2.814 176 T HA 0.481 4.832 4.350 0.002 0.000 0.297 176 T C 0.027 174.562 174.700 -0.275 0.000 0.956 176 T CA 0.241 62.241 62.100 -0.166 0.000 1.123 176 T CB 0.303 69.170 68.868 -0.002 0.000 0.902 176 T HN 0.306 nan 8.240 nan 0.000 0.528 177 I N 3.606 124.034 120.570 -0.237 0.000 2.497 177 I HA 0.326 4.497 4.170 0.002 0.000 0.284 177 I C -0.695 175.301 176.117 -0.202 0.000 1.060 177 I CA -0.953 60.224 61.300 -0.204 0.000 1.071 177 I CB 1.826 39.693 38.000 -0.223 0.000 1.216 177 I HN 0.282 nan 8.210 nan 0.000 0.442 178 V N 4.974 124.790 119.914 -0.162 0.000 2.435 178 V HA 0.800 4.921 4.120 0.002 0.000 0.290 178 V C 0.244 176.254 176.094 -0.141 0.000 1.030 178 V CA -0.432 61.780 62.300 -0.146 0.000 0.881 178 V CB 1.602 33.366 31.823 -0.098 0.000 0.983 178 V HN 0.803 nan 8.190 nan 0.000 0.445 179 A N 3.039 125.782 122.820 -0.128 0.000 2.374 179 A HA 0.701 5.022 4.320 0.002 0.000 0.317 179 A C -0.867 176.662 177.584 -0.091 0.000 1.094 179 A CA -0.587 51.374 52.037 -0.126 0.000 0.765 179 A CB 1.444 20.362 19.000 -0.136 0.000 1.268 179 A HN 0.775 nan 8.150 nan 0.000 0.438 180 D N 2.067 122.412 120.400 -0.093 0.000 2.233 180 D HA 0.393 5.034 4.640 0.002 0.000 0.240 180 D C 0.343 176.587 176.300 -0.094 0.000 1.074 180 D CA -0.311 53.632 54.000 -0.095 0.000 0.838 180 D CB 1.362 42.107 40.800 -0.091 0.000 1.124 180 D HN 0.429 nan 8.370 nan 0.000 0.475 181 L N 2.719 123.878 121.223 -0.107 0.000 2.375 181 L HA -0.006 4.336 4.340 0.002 0.000 0.215 181 L C 1.614 178.433 176.870 -0.084 0.000 1.108 181 L CA 0.218 55.008 54.840 -0.082 0.000 0.830 181 L CB 0.092 42.108 42.059 -0.072 0.000 0.959 181 L HN 0.357 nan 8.230 nan 0.000 0.457 182 D N 0.442 120.770 120.400 -0.120 0.000 2.091 182 D HA -0.086 4.555 4.640 0.002 0.000 0.199 182 D C 2.310 178.566 176.300 -0.073 0.000 0.980 182 D CA 1.259 55.196 54.000 -0.104 0.000 0.831 182 D CB -0.006 40.713 40.800 -0.136 0.000 0.987 182 D HN 0.213 nan 8.370 nan 0.000 0.460 183 L N -0.424 120.756 121.223 -0.072 0.000 2.291 183 L HA 0.029 4.370 4.340 0.002 0.000 0.214 183 L C 0.615 177.455 176.870 -0.050 0.000 1.120 183 L CA -0.023 54.785 54.840 -0.054 0.000 0.799 183 L CB -0.141 41.887 42.059 -0.051 0.000 0.925 183 L HN 0.025 nan 8.230 nan 0.000 0.446 184 M N 0.867 120.432 119.600 -0.058 0.000 2.450 184 M HA -0.209 4.272 4.480 0.002 0.000 0.192 184 M C -0.242 176.020 176.300 -0.063 0.000 0.753 184 M CA 0.899 56.166 55.300 -0.055 0.000 0.532 184 M CB -1.091 31.486 32.600 -0.038 0.000 1.263 184 M HN 0.444 nan 8.290 nan 0.000 0.885 185 K N -0.547 119.804 120.400 -0.081 0.000 2.556 185 K HA 0.762 5.083 4.320 0.002 0.000 0.274 185 K C -0.686 175.823 176.600 -0.151 0.000 0.966 185 K CA -1.242 54.985 56.287 -0.101 0.000 0.865 185 K CB 1.130 33.592 32.500 -0.064 0.000 1.444 185 K HN 0.201 nan 8.250 nan 0.000 0.433 186 I N 2.915 123.335 120.570 -0.250 0.000 2.505 186 I HA -0.058 4.113 4.170 0.002 0.000 0.287 186 I C 1.229 177.227 176.117 -0.198 0.000 1.104 186 I CA -0.298 60.797 61.300 -0.342 0.000 1.387 186 I CB 1.100 38.629 38.000 -0.785 0.000 1.404 186 I HN 0.627 nan 8.210 nan 0.000 0.528 187 V N 1.848 121.685 119.914 -0.128 0.000 3.590 187 V HA 0.302 4.423 4.120 0.002 0.000 0.265 187 V C 0.532 176.601 176.094 -0.041 0.000 1.239 187 V CA 0.452 62.713 62.300 -0.064 0.000 1.117 187 V CB -0.337 31.455 31.823 -0.051 0.000 0.818 187 V HN 0.830 nan 8.190 nan 0.000 0.451 188 E N -0.863 119.301 120.200 -0.059 0.000 2.375 188 E HA 0.521 4.872 4.350 0.002 0.000 0.280 188 E C -2.362 174.204 176.600 -0.056 0.000 0.972 188 E CA -0.784 55.584 56.400 -0.053 0.000 0.782 188 E CB 2.870 32.554 29.700 -0.028 0.000 1.229 188 E HN 0.276 nan 8.360 nan 0.000 0.439 189 Y N 2.116 122.205 120.300 -0.352 0.000 2.482 189 Y HA 0.453 5.004 4.550 0.002 0.000 0.334 189 Y C -1.916 173.585 175.900 -0.664 0.000 1.091 189 Y CA -0.352 57.572 58.100 -0.294 0.000 1.027 189 Y CB 1.733 40.196 38.460 0.005 0.000 1.306 189 Y HN 0.671 nan 8.280 nan 0.000 0.446 190 H N 3.336 122.132 119.070 -0.457 0.000 3.149 190 H HA 0.225 4.782 4.556 0.002 0.000 0.334 190 H C -1.709 173.381 175.328 -0.396 0.000 1.000 190 H CA -0.969 54.926 56.048 -0.254 0.000 1.415 190 H CB 1.464 31.153 29.762 -0.121 0.000 1.819 190 H HN 0.470 nan 8.280 nan 0.000 0.486 191 D N 2.618 122.956 120.400 -0.105 0.000 2.468 191 D HA 0.107 4.748 4.640 0.002 0.000 0.218 191 D C 0.618 176.925 176.300 0.012 0.000 1.155 191 D CA -0.158 53.814 54.000 -0.047 0.000 0.924 191 D CB 0.448 41.307 40.800 0.097 0.000 1.029 191 D HN 0.604 nan 8.370 nan 0.000 0.515 192 R N 1.709 122.202 120.500 -0.012 0.000 2.100 192 R HA 0.144 4.485 4.340 0.002 0.000 0.220 192 R C 0.312 176.608 176.300 -0.005 0.000 1.091 192 R CA 0.346 56.442 56.100 -0.006 0.000 0.986 192 R CB 0.550 30.837 30.300 -0.022 0.000 0.888 192 R HN 0.338 nan 8.270 nan 0.000 0.444 193 D N -0.536 119.858 120.400 -0.010 0.000 2.837 193 D HA 0.294 4.935 4.640 0.002 0.000 0.220 193 D C -1.146 175.151 176.300 -0.005 0.000 1.236 193 D CA -0.453 53.545 54.000 -0.004 0.000 0.838 193 D CB 2.496 43.295 40.800 -0.002 0.000 1.647 193 D HN -0.117 nan 8.370 nan 0.000 0.486 194 I N 2.361 122.929 120.570 -0.002 0.000 2.321 194 I HA 0.262 4.433 4.170 0.002 0.000 0.291 194 I C -0.072 176.045 176.117 -0.000 0.000 0.998 194 I CA -0.448 60.849 61.300 -0.005 0.000 1.227 194 I CB 1.392 39.389 38.000 -0.006 0.000 1.368 194 I HN 0.082 nan 8.210 nan 0.000 0.466 195 E N 4.340 124.540 120.200 0.001 0.000 2.293 195 E HA 0.534 4.885 4.350 0.002 0.000 0.270 195 E C -0.664 175.941 176.600 0.008 0.000 0.879 195 E CA -0.832 55.572 56.400 0.008 0.000 0.756 195 E CB 2.538 32.248 29.700 0.017 0.000 1.208 195 E HN 0.650 nan 8.360 nan 0.000 0.428 196 A N 1.611 124.436 122.820 0.008 0.000 2.483 196 A HA 0.232 4.553 4.320 0.002 0.000 0.238 196 A C 0.169 177.767 177.584 0.024 0.000 1.070 196 A CA -0.240 51.803 52.037 0.010 0.000 0.770 196 A CB 0.281 19.283 19.000 0.004 0.000 1.008 196 A HN 0.309 nan 8.150 nan 0.000 0.497 197 V N 4.769 124.700 119.914 0.029 0.000 2.406 197 V HA 0.245 4.366 4.120 0.002 0.000 0.272 197 V C -1.900 174.228 176.094 0.057 0.000 1.043 197 V CA -1.125 61.205 62.300 0.051 0.000 0.915 197 V CB 0.871 32.723 31.823 0.048 0.000 0.988 197 V HN 0.800 nan 8.190 nan 0.000 0.466 198 P HA 0.047 nan 4.420 nan 0.000 0.267 198 P C 0.250 177.605 177.300 0.092 0.000 1.200 198 P CA 0.251 63.402 63.100 0.085 0.000 0.772 198 P CB 0.301 32.076 31.700 0.126 0.000 0.855 199 T N 1.200 115.803 114.554 0.081 0.000 2.855 199 T HA 0.224 4.575 4.350 0.002 0.000 0.314 199 T C 1.339 176.098 174.700 0.099 0.000 1.077 199 T CA 0.255 62.401 62.100 0.077 0.000 1.095 199 T CB 0.126 69.032 68.868 0.064 0.000 0.987 199 T HN 0.359 nan 8.240 nan 0.000 0.546 200 A N 2.497 125.362 122.820 0.075 0.000 2.178 200 A HA 0.230 4.551 4.320 0.002 0.000 0.211 200 A C 0.896 178.519 177.584 0.065 0.000 1.157 200 A CA 0.237 52.316 52.037 0.069 0.000 0.780 200 A CB -0.358 18.668 19.000 0.045 0.000 0.828 200 A HN 0.863 nan 8.150 nan 0.000 0.476 201 E N 0.957 121.199 120.200 0.069 0.000 2.351 201 E HA 0.173 4.524 4.350 0.002 0.000 0.266 201 E C -0.127 176.523 176.600 0.084 0.000 1.031 201 E CA 0.418 56.855 56.400 0.062 0.000 0.911 201 E CB -0.549 29.186 29.700 0.058 0.000 0.986 201 E HN 0.469 nan 8.360 nan 0.000 0.446 202 N N 2.262 121.000 118.700 0.063 0.000 2.815 202 N HA -0.212 4.529 4.740 0.002 0.000 0.249 202 N C -0.162 175.381 175.510 0.056 0.000 1.114 202 N CA 0.874 53.968 53.050 0.072 0.000 0.717 202 N CB -1.307 37.249 38.487 0.115 0.000 1.074 202 N HN 0.658 nan 8.380 nan 0.000 0.555 203 T N -4.798 109.769 114.554 0.023 0.000 2.958 203 T HA 0.157 4.508 4.350 0.002 0.000 0.256 203 T C 0.406 175.107 174.700 0.002 0.000 0.983 203 T CA -0.208 61.870 62.100 -0.037 0.000 0.924 203 T CB 0.531 69.403 68.868 0.006 0.000 1.136 203 T HN 0.157 nan 8.240 nan 0.000 0.506 204 E N 1.856 122.049 120.200 -0.012 0.000 2.373 204 E HA 0.246 4.597 4.350 0.002 0.000 0.267 204 E C -0.073 176.515 176.600 -0.019 0.000 1.032 204 E CA -0.487 55.862 56.400 -0.086 0.000 0.889 204 E CB 0.428 30.073 29.700 -0.091 0.000 0.984 204 E HN 0.642 nan 8.360 nan 0.000 0.425 205 Y N 0.622 120.918 120.300 -0.007 0.000 2.563 205 Y HA 0.396 4.947 4.550 0.002 0.000 0.250 205 Y C -0.197 175.710 175.900 0.012 0.000 1.126 205 Y CA -0.634 57.465 58.100 -0.002 0.000 1.231 205 Y CB -0.167 38.280 38.460 -0.023 0.000 1.288 205 Y HN 0.295 nan 8.280 nan 0.000 0.537 206 Q N 1.172 120.831 119.800 -0.235 0.000 2.256 206 Q HA 0.273 4.614 4.340 0.002 0.000 0.254 206 Q C 0.990 176.982 176.000 -0.015 0.000 0.916 206 Q CA -0.132 55.609 55.803 -0.103 0.000 0.932 206 Q CB 3.019 31.656 28.738 -0.168 0.000 1.207 206 Q HN 0.314 nan 8.270 nan 0.000 0.426 207 V N 2.652 122.572 119.914 0.010 0.000 2.490 207 V HA -0.238 3.883 4.120 0.002 0.000 0.250 207 V C 1.785 177.892 176.094 0.020 0.000 1.061 207 V CA 2.552 64.858 62.300 0.011 0.000 1.064 207 V CB -0.277 31.491 31.823 -0.092 0.000 0.670 207 V HN 0.967 nan 8.190 nan 0.000 0.461 208 S N -0.797 114.898 115.700 -0.009 0.000 2.474 208 S HA -0.062 4.409 4.470 0.002 0.000 0.235 208 S C 1.666 176.269 174.600 0.004 0.000 0.997 208 S CA 0.741 58.937 58.200 -0.006 0.000 0.949 208 S CB -0.236 62.951 63.200 -0.021 0.000 0.766 208 S HN 0.585 nan 8.310 nan 0.000 0.517 209 K N 0.724 121.121 120.400 -0.006 0.000 2.358 209 K HA 0.351 4.672 4.320 0.002 0.000 0.200 209 K C 0.351 176.967 176.600 0.027 0.000 1.030 209 K CA 0.104 56.384 56.287 -0.011 0.000 1.097 209 K CB 0.344 32.802 32.500 -0.070 0.000 0.862 209 K HN 0.543 nan 8.250 nan 0.000 0.534 210 Q N 0.653 120.509 119.800 0.093 0.000 2.193 210 Q HA 0.293 4.635 4.340 0.002 0.000 0.246 210 Q C -0.059 176.044 176.000 0.171 0.000 0.959 210 Q CA -0.476 55.409 55.803 0.136 0.000 0.904 210 Q CB 1.703 30.591 28.738 0.250 0.000 1.238 210 Q HN 0.067 nan 8.270 nan 0.000 0.469 211 S N -0.389 115.312 115.700 0.002 0.000 2.709 211 S HA 0.700 5.171 4.470 0.002 0.000 0.302 211 S C -2.690 171.540 174.600 -0.616 0.000 1.127 211 S CA -1.633 56.498 58.200 -0.115 0.000 0.905 211 S CB 1.150 64.306 63.200 -0.073 0.000 1.151 211 S HN 0.272 nan 8.310 nan 0.000 0.510 212 P HA 0.278 nan 4.420 nan 0.000 0.269 212 P C -2.278 174.752 177.300 -0.449 0.000 1.217 212 P CA -0.629 62.023 63.100 -0.746 0.000 0.783 212 P CB -0.421 31.105 31.700 -0.290 0.000 0.898 213 P HA 0.372 nan 4.420 nan 0.000 0.284 213 P C -1.282 175.707 177.300 -0.517 0.000 1.258 213 P CA -0.230 62.644 63.100 -0.377 0.000 0.824 213 P CB 0.770 32.383 31.700 -0.145 0.000 1.038 214 F N 0.041 120.000 119.950 0.014 0.000 2.470 214 F HA 0.772 5.300 4.527 0.001 0.000 0.329 214 F C 1.131 176.941 175.800 0.017 0.000 1.072 214 F CA 0.104 58.113 58.000 0.015 0.000 0.989 214 F CB 2.004 41.012 39.000 0.013 0.000 1.193 214 F HN 0.699 nan 8.300 nan 0.000 0.481 215 G N 1.117 110.048 108.800 0.218 0.000 2.336 215 G HA2 0.445 4.406 3.960 0.002 0.000 0.300 215 G HA3 0.445 4.406 3.960 0.002 0.000 0.300 215 G C -3.145 171.813 174.900 0.097 0.000 1.375 215 G CA -1.120 44.057 45.100 0.130 0.000 0.885 215 G HN 0.535 nan 8.290 nan 0.000 0.599 216 P HA 0.525 nan 4.420 nan 0.000 0.277 216 P C -0.407 176.936 177.300 0.071 0.000 1.240 216 P CA -0.519 62.621 63.100 0.066 0.000 0.798 216 P CB 1.409 33.137 31.700 0.048 0.000 0.979 217 K N 1.303 121.750 120.400 0.077 0.000 2.436 217 K HA 0.042 4.363 4.320 0.002 0.000 0.275 217 K C -0.206 176.457 176.600 0.105 0.000 0.999 217 K CA 0.398 56.735 56.287 0.082 0.000 0.980 217 K CB 0.232 32.783 32.500 0.085 0.000 0.919 217 K HN 0.359 nan 8.250 nan 0.000 0.484 218 Q N 2.756 122.612 119.800 0.094 0.000 2.330 218 Q HA 0.187 4.528 4.340 0.002 0.000 0.269 218 Q C -0.994 175.083 176.000 0.129 0.000 1.022 218 Q CA -0.716 55.150 55.803 0.105 0.000 0.796 218 Q CB 1.667 30.437 28.738 0.053 0.000 1.271 218 Q HN 0.638 nan 8.270 nan 0.000 0.450 219 H N 1.059 120.118 119.070 -0.018 0.000 2.764 219 H HA 0.126 4.683 4.556 0.003 0.000 0.341 219 H C 0.136 175.445 175.328 -0.032 0.000 1.072 219 H CA 0.097 56.129 56.048 -0.027 0.000 1.444 219 H CB 1.045 30.788 29.762 -0.032 0.000 1.458 219 H HN 0.620 nan 8.280 nan 0.000 0.572 220 S N 2.705 118.383 115.700 -0.037 0.000 2.617 220 S HA 0.277 4.748 4.470 0.002 0.000 0.255 220 S C -0.025 174.562 174.600 -0.022 0.000 1.318 220 S CA -0.574 57.605 58.200 -0.034 0.000 0.978 220 S CB 0.951 64.114 63.200 -0.062 0.000 0.961 220 S HN 0.395 nan 8.310 nan 0.000 0.582 221 L N -0.250 120.956 121.223 -0.028 0.000 2.540 221 L HA 0.695 5.036 4.340 0.002 0.000 0.256 221 L C -0.674 176.181 176.870 -0.025 0.000 1.001 221 L CA -0.014 54.806 54.840 -0.034 0.000 0.843 221 L CB 2.450 44.499 42.059 -0.017 0.000 1.436 221 L HN 0.807 nan 8.230 nan 0.000 0.410 222 T N 0.938 115.473 114.554 -0.033 0.000 2.916 222 T HA 0.826 5.177 4.350 0.002 0.000 0.305 222 T C -1.517 173.193 174.700 0.016 0.000 1.119 222 T CA -0.177 61.927 62.100 0.008 0.000 1.008 222 T CB 1.523 70.412 68.868 0.035 0.000 1.129 222 T HN 0.739 nan 8.240 nan 0.000 0.480 223 S N 1.185 116.918 115.700 0.054 0.000 2.625 223 S HA 0.750 5.221 4.470 0.002 0.000 0.271 223 S C -2.059 172.622 174.600 0.135 0.000 1.161 223 S CA -0.505 57.721 58.200 0.043 0.000 0.820 223 S CB 1.562 64.729 63.200 -0.055 0.000 1.137 223 S HN 1.052 nan 8.310 nan 0.000 0.470 224 H N 0.451 119.482 119.070 -0.066 0.000 3.121 224 H HA 0.368 4.925 4.556 0.003 0.000 0.337 224 H C -1.812 173.469 175.328 -0.079 0.000 1.198 224 H CA -0.277 55.747 56.048 -0.041 0.000 1.274 224 H CB 1.129 30.897 29.762 0.011 0.000 1.954 224 H HN 0.511 nan 8.280 nan 0.000 0.531 225 Q N 5.594 125.007 119.800 -0.645 0.000 2.425 225 Q HA 0.224 4.565 4.340 0.002 0.000 0.254 225 Q C -1.998 173.644 176.000 -0.596 0.000 1.032 225 Q CA -1.993 53.545 55.803 -0.441 0.000 0.798 225 Q CB 1.801 30.404 28.738 -0.225 0.000 1.210 225 Q HN 0.544 nan 8.270 nan 0.000 0.491 226 P HA -0.254 nan 4.420 nan 0.000 0.216 226 P C 0.719 177.968 177.300 -0.085 0.000 1.154 226 P CA 1.421 64.464 63.100 -0.094 0.000 0.865 226 P CB 0.316 32.025 31.700 0.016 0.000 0.789 227 Q N -1.063 118.683 119.800 -0.090 0.000 2.204 227 Q HA 0.305 4.646 4.340 0.002 0.000 0.209 227 Q C 0.541 176.493 176.000 -0.079 0.000 0.861 227 Q CA 0.085 55.853 55.803 -0.057 0.000 0.971 227 Q CB 0.001 28.721 28.738 -0.030 0.000 1.095 227 Q HN 0.149 nan 8.270 nan 0.000 0.486 228 G N 1.612 110.336 108.800 -0.127 0.000 2.741 228 G HA2 -0.231 3.730 3.960 0.002 0.000 0.222 228 G HA3 -0.231 3.730 3.960 0.002 0.000 0.222 228 G C -2.735 172.095 174.900 -0.117 0.000 1.364 228 G CA -0.755 44.272 45.100 -0.122 0.000 0.866 228 G HN 0.235 nan 8.290 nan 0.000 0.555 229 P HA 0.358 nan 4.420 nan 0.000 0.272 229 P C 0.997 178.130 177.300 -0.278 0.000 1.230 229 P CA 0.690 63.603 63.100 -0.313 0.000 0.788 229 P CB 0.667 31.814 31.700 -0.921 0.000 0.949 230 G N 0.823 109.579 108.800 -0.073 0.000 2.880 230 G HA2 0.099 4.060 3.960 0.002 0.000 0.209 230 G HA3 0.099 4.060 3.960 0.002 0.000 0.209 230 G C 0.163 175.178 174.900 0.191 0.000 1.157 230 G CA -0.092 45.061 45.100 0.088 0.000 0.779 230 G HN 0.518 nan 8.290 nan 0.000 0.539 231 F N -0.700 119.468 119.950 0.364 0.000 2.379 231 F HA 0.687 5.215 4.527 0.002 0.000 0.332 231 F C -0.007 175.850 175.800 0.095 0.000 1.096 231 F CA -1.755 56.403 58.000 0.264 0.000 1.105 231 F CB 1.099 40.172 39.000 0.121 0.000 1.189 231 F HN -0.172 nan 8.300 nan 0.000 0.515 232 Q N 3.163 123.090 119.800 0.212 0.000 2.333 232 Q HA 0.502 4.843 4.340 0.002 0.000 0.268 232 Q C -1.408 174.655 176.000 0.105 0.000 1.007 232 Q CA -0.651 55.211 55.803 0.099 0.000 0.810 232 Q CB 1.951 30.710 28.738 0.036 0.000 1.264 232 Q HN 0.878 nan 8.270 nan 0.000 0.452 233 I N 3.512 124.139 120.570 0.096 0.000 2.328 233 I HA 0.237 4.409 4.170 0.002 0.000 0.287 233 I C -0.052 176.044 176.117 -0.036 0.000 1.012 233 I CA -0.484 60.808 61.300 -0.013 0.000 1.195 233 I CB 1.071 39.047 38.000 -0.041 0.000 1.350 233 I HN 0.317 nan 8.210 nan 0.000 0.464 234 N N 5.666 124.335 118.700 -0.052 0.000 2.707 234 N HA 0.365 5.106 4.740 0.002 0.000 0.235 234 N C 0.437 175.935 175.510 -0.019 0.000 1.028 234 N CA 0.810 53.848 53.050 -0.021 0.000 0.906 234 N CB 1.251 39.740 38.487 0.003 0.000 1.131 234 N HN 0.931 nan 8.380 nan 0.000 0.509 235 G N 2.917 111.693 108.800 -0.041 0.000 2.720 235 G HA2 -0.329 3.632 3.960 0.002 0.000 0.293 235 G HA3 -0.329 3.632 3.960 0.002 0.000 0.293 235 G C 0.317 175.072 174.900 -0.242 0.000 1.256 235 G CA 0.295 45.382 45.100 -0.021 0.000 0.974 235 G HN 0.689 nan 8.290 nan 0.000 0.551 236 H N 0.835 119.854 119.070 -0.084 0.000 2.674 236 H HA 0.578 5.136 4.556 0.002 0.000 0.274 236 H C 0.505 175.605 175.328 -0.380 0.000 1.121 236 H CA 0.546 56.433 56.048 -0.268 0.000 1.132 236 H CB 0.784 30.309 29.762 -0.395 0.000 1.606 236 H HN 0.334 nan 8.280 nan 0.000 0.558 237 S N 1.339 116.958 115.700 -0.136 0.000 2.430 237 S HA 0.306 4.777 4.470 0.002 0.000 0.289 237 S C -0.147 174.303 174.600 -0.251 0.000 1.143 237 S CA -0.535 57.571 58.200 -0.156 0.000 1.067 237 S CB 0.820 64.002 63.200 -0.030 0.000 0.964 237 S HN 0.022 nan 8.310 nan 0.000 0.485 238 V N 3.720 123.349 119.914 -0.475 0.000 2.394 238 V HA 0.415 4.536 4.120 0.002 0.000 0.282 238 V C 0.198 176.063 176.094 -0.382 0.000 1.031 238 V CA -0.514 61.448 62.300 -0.563 0.000 0.881 238 V CB 1.767 32.927 31.823 -1.106 0.000 0.982 238 V HN 0.764 nan 8.190 nan 0.000 0.451 239 S N 4.516 120.154 115.700 -0.103 0.000 2.498 239 S HA 0.584 5.055 4.470 0.002 0.000 0.324 239 S C -1.276 173.471 174.600 0.244 0.000 1.071 239 S CA -0.494 57.741 58.200 0.058 0.000 1.113 239 S CB 0.495 63.721 63.200 0.044 0.000 0.976 239 S HN 0.716 nan 8.310 nan 0.000 0.462 240 W N 4.273 125.641 121.300 0.113 0.000 3.259 240 W HA 0.594 5.255 4.660 0.002 0.000 0.331 240 W C 0.095 176.762 176.519 0.247 0.000 1.144 240 W CA 0.331 57.790 57.345 0.189 0.000 1.227 240 W CB 0.523 30.123 29.460 0.232 0.000 1.371 240 W HN 0.929 nan 8.180 nan 0.000 0.491 241 A N 3.511 125.905 122.820 -0.710 0.000 5.251 241 A HA -0.434 3.887 4.320 0.002 0.000 0.334 241 A C 1.088 178.523 177.584 -0.247 0.000 1.764 241 A CA 2.388 53.995 52.037 -0.717 0.000 0.708 241 A CB -1.516 16.723 19.000 -1.269 0.000 1.420 241 A HN 1.268 nan 8.150 nan 0.000 0.394 242 N N -0.609 117.998 118.700 -0.156 0.000 2.230 242 N HA 0.269 5.010 4.740 0.002 0.000 0.202 242 N C -0.332 175.194 175.510 0.027 0.000 1.119 242 N CA 0.373 53.399 53.050 -0.040 0.000 0.851 242 N CB -0.231 38.213 38.487 -0.072 0.000 0.990 242 N HN 0.666 nan 8.380 nan 0.000 0.497 243 W N 0.973 122.391 121.300 0.196 0.000 2.512 243 W HA 0.516 5.177 4.660 0.002 0.000 0.335 243 W C 0.189 176.847 176.519 0.231 0.000 1.088 243 W CA -0.839 56.685 57.345 0.297 0.000 1.236 243 W CB 1.489 31.215 29.460 0.444 0.000 1.307 243 W HN -0.371 nan 8.180 nan 0.000 0.567 244 K N 2.771 123.513 120.400 0.571 0.000 2.443 244 K HA 0.581 4.902 4.320 0.002 0.000 0.252 244 K C -1.296 175.541 176.600 0.396 0.000 0.933 244 K CA -0.782 55.695 56.287 0.318 0.000 0.792 244 K CB 1.883 34.508 32.500 0.210 0.000 1.185 244 K HN 0.384 nan 8.250 nan 0.000 0.425 245 F N -1.197 118.765 119.950 0.021 0.000 2.713 245 F HA 0.416 4.944 4.527 0.002 0.000 0.311 245 F C -1.325 174.439 175.800 -0.059 0.000 1.141 245 F CA -1.136 56.835 58.000 -0.048 0.000 0.939 245 F CB 1.156 40.029 39.000 -0.211 0.000 1.325 245 F HN 0.392 nan 8.300 nan 0.000 0.453 246 H N 2.406 121.502 119.070 0.044 0.000 2.466 246 H HA 0.574 5.132 4.556 0.002 0.000 0.338 246 H C -1.327 174.012 175.328 0.017 0.000 1.091 246 H CA -0.700 55.289 56.048 -0.098 0.000 1.207 246 H CB 1.731 31.358 29.762 -0.224 0.000 1.466 246 H HN 0.763 nan 8.280 nan 0.000 0.493 247 I N 4.838 125.127 120.570 -0.467 0.000 2.304 247 I HA 0.262 4.433 4.170 0.002 0.000 0.291 247 I C 0.926 176.877 176.117 -0.275 0.000 1.018 247 I CA -0.247 60.916 61.300 -0.228 0.000 1.260 247 I CB 1.301 39.233 38.000 -0.113 0.000 1.390 247 I HN 0.559 nan 8.210 nan 0.000 0.475 248 G N 5.348 114.135 108.800 -0.022 0.000 2.597 248 G HA2 0.728 4.689 3.960 0.002 0.000 0.317 248 G HA3 0.728 4.689 3.960 0.002 0.000 0.317 248 G C -1.707 173.316 174.900 0.206 0.000 1.230 248 G CA -0.392 44.765 45.100 0.095 0.000 0.996 248 G HN 0.392 nan 8.290 nan 0.000 0.490 249 F N -0.077 119.889 119.950 0.027 0.000 2.604 249 F HA 0.511 5.040 4.527 0.002 0.000 0.316 249 F C -1.708 174.146 175.800 0.090 0.000 1.136 249 F CA -0.863 57.181 58.000 0.072 0.000 0.989 249 F CB 2.478 41.531 39.000 0.088 0.000 1.258 249 F HN 0.537 nan 8.300 nan 0.000 0.451 250 D N 3.234 123.393 120.400 -0.402 0.000 2.481 250 D HA 0.426 5.067 4.640 0.002 0.000 0.244 250 D C 0.674 176.749 176.300 -0.376 0.000 1.057 250 D CA -0.556 53.327 54.000 -0.196 0.000 0.848 250 D CB 2.216 43.010 40.800 -0.010 0.000 1.388 250 D HN 0.387 nan 8.370 nan 0.000 0.475 251 V N 2.050 121.927 119.914 -0.061 0.000 2.759 251 V HA -0.041 4.080 4.120 0.002 0.000 0.256 251 V C 1.935 178.062 176.094 0.054 0.000 1.080 251 V CA 1.337 63.626 62.300 -0.019 0.000 1.101 251 V CB -0.545 31.301 31.823 0.039 0.000 0.698 251 V HN 0.574 nan 8.190 nan 0.000 0.477 252 R N 0.510 121.109 120.500 0.165 0.000 2.064 252 R HA 0.244 4.585 4.340 0.002 0.000 0.221 252 R C 2.309 178.650 176.300 0.068 0.000 1.136 252 R CA 1.247 57.375 56.100 0.048 0.000 0.980 252 R CB -0.435 29.706 30.300 -0.265 0.000 0.876 252 R HN 0.503 nan 8.270 nan 0.000 0.437 253 A N 0.108 123.013 122.820 0.142 0.000 2.016 253 A HA 0.243 4.564 4.320 0.002 0.000 0.217 253 A C 1.260 178.958 177.584 0.191 0.000 1.162 253 A CA 1.257 53.423 52.037 0.215 0.000 0.662 253 A CB -0.477 18.597 19.000 0.123 0.000 0.812 253 A HN 0.661 nan 8.150 nan 0.000 0.450 254 G N -0.653 108.122 108.800 -0.041 0.000 2.527 254 G HA2 -0.264 3.697 3.960 0.002 0.000 0.262 254 G HA3 -0.264 3.697 3.960 0.002 0.000 0.262 254 G C 0.255 175.091 174.900 -0.106 0.000 1.153 254 G CA 0.011 45.004 45.100 -0.177 0.000 0.954 254 G HN 1.044 nan 8.290 nan 0.000 0.552 255 I N 0.999 121.717 120.570 0.247 0.000 2.575 255 I HA 0.511 4.682 4.170 0.002 0.000 0.285 255 I C 0.060 176.266 176.117 0.147 0.000 1.085 255 I CA -0.505 60.953 61.300 0.263 0.000 1.403 255 I CB 0.866 39.041 38.000 0.292 0.000 1.409 255 I HN 0.470 nan 8.210 nan 0.000 0.557 256 V N 8.304 128.255 119.914 0.061 0.000 2.577 256 V HA 0.389 4.510 4.120 0.002 0.000 0.303 256 V C -0.291 175.745 176.094 -0.098 0.000 1.042 256 V CA -0.701 61.592 62.300 -0.012 0.000 0.872 256 V CB 1.639 33.434 31.823 -0.047 0.000 0.998 256 V HN 0.421 nan 8.190 nan 0.000 0.423 257 I N 4.614 125.021 120.570 -0.271 0.000 2.321 257 I HA 0.607 4.778 4.170 0.002 0.000 0.291 257 I C 0.434 176.452 176.117 -0.165 0.000 0.998 257 I CA 0.345 61.453 61.300 -0.321 0.000 1.227 257 I CB 1.441 38.962 38.000 -0.800 0.000 1.368 257 I HN 0.856 nan 8.210 nan 0.000 0.466 258 S N 5.750 121.439 115.700 -0.018 0.000 2.627 258 S HA 0.746 5.218 4.470 0.002 0.000 0.283 258 S C -0.132 174.467 174.600 -0.000 0.000 1.127 258 S CA -0.858 57.293 58.200 -0.082 0.000 0.863 258 S CB 2.236 65.314 63.200 -0.204 0.000 1.121 258 S HN 0.528 nan 8.310 nan 0.000 0.479 259 L N -0.965 120.211 121.223 -0.077 0.000 3.548 259 L HA -0.165 4.176 4.340 0.002 0.000 0.443 259 L C 0.468 177.456 176.870 0.197 0.000 1.286 259 L CA 0.373 55.249 54.840 0.060 0.000 0.863 259 L CB -1.996 40.099 42.059 0.061 0.000 1.734 259 L HN 0.981 nan 8.230 nan 0.000 0.873 260 A N 0.280 123.229 122.820 0.215 0.000 2.350 260 A HA 0.633 4.954 4.320 0.002 0.000 0.293 260 A C 0.567 178.443 177.584 0.487 0.000 1.231 260 A CA 0.223 52.486 52.037 0.375 0.000 0.883 260 A CB 0.671 19.836 19.000 0.274 0.000 1.133 260 A HN 0.269 nan 8.150 nan 0.000 0.533 261 S N 1.512 117.520 115.700 0.513 0.000 2.532 261 S HA 0.693 5.164 4.470 0.002 0.000 0.301 261 S C -0.618 174.169 174.600 0.312 0.000 1.083 261 S CA -0.417 58.011 58.200 0.379 0.000 1.025 261 S CB 1.205 64.575 63.200 0.284 0.000 1.056 261 S HN 0.701 nan 8.310 nan 0.000 0.494 262 I N 2.737 123.344 120.570 0.063 0.000 2.436 262 I HA 0.410 4.581 4.170 0.002 0.000 0.289 262 I C -1.429 174.725 176.117 0.061 0.000 1.010 262 I CA -0.911 60.255 61.300 -0.223 0.000 1.098 262 I CB 0.960 38.536 38.000 -0.707 0.000 1.266 262 I HN 0.670 nan 8.210 nan 0.000 0.434 263 Y N 7.033 127.305 120.300 -0.048 0.000 2.496 263 Y HA 0.121 4.672 4.550 0.002 0.000 0.334 263 Y C 0.018 175.953 175.900 0.058 0.000 1.080 263 Y CA -0.033 58.077 58.100 0.017 0.000 1.355 263 Y CB 0.316 38.776 38.460 0.002 0.000 1.193 263 Y HN 0.453 nan 8.280 nan 0.000 0.523 264 D N 6.453 126.591 120.400 -0.437 0.000 2.411 264 D HA 0.011 4.652 4.640 0.002 0.000 0.225 264 D C 0.777 176.702 176.300 -0.624 0.000 1.156 264 D CA -0.226 53.615 54.000 -0.265 0.000 0.874 264 D CB 0.886 41.617 40.800 -0.113 0.000 1.034 264 D HN 0.726 nan 8.370 nan 0.000 0.502 265 L N 4.415 125.408 121.223 -0.383 0.000 2.127 265 L HA -0.090 4.251 4.340 0.002 0.000 0.211 265 L C 1.803 178.426 176.870 -0.411 0.000 1.089 265 L CA 1.720 56.393 54.840 -0.279 0.000 0.757 265 L CB -0.210 41.818 42.059 -0.051 0.000 0.899 265 L HN 0.466 nan 8.230 nan 0.000 0.434 266 E N -0.232 119.748 120.200 -0.367 0.000 2.051 266 E HA -0.181 4.170 4.350 0.002 0.000 0.189 266 E C 1.957 178.235 176.600 -0.536 0.000 0.979 266 E CA 0.987 57.174 56.400 -0.354 0.000 0.803 266 E CB 0.110 29.713 29.700 -0.162 0.000 0.761 266 E HN 0.486 nan 8.360 nan 0.000 0.451 267 K N -0.461 119.675 120.400 -0.439 0.000 2.459 267 K HA -0.005 4.316 4.320 0.002 0.000 0.193 267 K C -0.498 175.879 176.600 -0.372 0.000 1.030 267 K CA 0.161 56.248 56.287 -0.334 0.000 1.026 267 K CB -0.051 32.318 32.500 -0.219 0.000 0.809 267 K HN 0.250 nan 8.250 nan 0.000 0.504 268 H N -0.058 118.880 119.070 -0.220 0.000 2.677 268 H HA -0.200 4.357 4.556 0.002 0.000 0.321 268 H C -0.588 174.669 175.328 -0.119 0.000 1.171 268 H CA 0.888 56.836 56.048 -0.166 0.000 1.139 268 H CB -1.172 28.602 29.762 0.019 0.000 1.515 268 H HN 0.095 nan 8.280 nan 0.000 0.423 269 K N 0.140 120.353 120.400 -0.312 0.000 2.562 269 K HA 0.512 4.833 4.320 0.002 0.000 0.267 269 K C -0.852 175.717 176.600 -0.052 0.000 0.938 269 K CA -0.678 55.585 56.287 -0.040 0.000 0.840 269 K CB 2.128 34.592 32.500 -0.060 0.000 1.390 269 K HN 0.061 nan 8.250 nan 0.000 0.428 270 S N 1.861 117.672 115.700 0.185 0.000 2.513 270 S HA 0.424 4.895 4.470 0.002 0.000 0.276 270 S C -0.828 173.848 174.600 0.126 0.000 1.254 270 S CA -0.478 57.856 58.200 0.223 0.000 1.053 270 S CB 0.314 63.661 63.200 0.245 0.000 0.958 270 S HN 0.456 nan 8.310 nan 0.000 0.491 271 R N 2.963 123.543 120.500 0.133 0.000 2.599 271 R HA 0.427 4.768 4.340 0.002 0.000 0.295 271 R C -0.492 175.955 176.300 0.244 0.000 0.963 271 R CA -0.825 55.364 56.100 0.148 0.000 0.883 271 R CB 1.565 31.910 30.300 0.075 0.000 1.171 271 R HN 0.569 nan 8.270 nan 0.000 0.450 272 R N 1.277 121.915 120.500 0.231 0.000 2.438 272 R HA 0.136 4.477 4.340 0.002 0.000 0.287 272 R C 0.388 176.845 176.300 0.263 0.000 1.077 272 R CA -0.172 56.072 56.100 0.241 0.000 1.034 272 R CB 0.953 31.372 30.300 0.199 0.000 0.993 272 R HN 0.404 nan 8.270 nan 0.000 0.459 273 V N 2.914 122.963 119.914 0.225 0.000 2.950 273 V HA 0.119 4.240 4.120 0.002 0.000 0.231 273 V C -0.155 176.031 176.094 0.154 0.000 1.205 273 V CA 0.219 62.575 62.300 0.092 0.000 1.239 273 V CB 0.173 31.996 31.823 0.001 0.000 1.050 273 V HN 0.452 nan 8.190 nan 0.000 0.498 274 L N -0.747 120.565 121.223 0.148 0.000 2.406 274 L HA 0.446 4.787 4.340 0.002 0.000 0.270 274 L C 0.286 177.211 176.870 0.093 0.000 0.982 274 L CA -0.486 54.381 54.840 0.046 0.000 0.843 274 L CB 1.658 43.664 42.059 -0.087 0.000 1.225 274 L HN 0.273 nan 8.230 nan 0.000 0.412 275 Y N 4.650 124.949 120.300 -0.003 0.000 2.220 275 Y HA 0.139 4.690 4.550 0.002 0.000 0.291 275 Y C 0.531 176.453 175.900 0.036 0.000 1.129 275 Y CA 1.296 59.410 58.100 0.024 0.000 1.161 275 Y CB 0.333 38.789 38.460 -0.007 0.000 0.997 275 Y HN 0.598 nan 8.280 nan 0.000 0.522 276 K N -0.357 120.050 120.400 0.013 0.000 2.569 276 K HA 0.491 4.812 4.320 0.002 0.000 0.259 276 K C -1.501 175.139 176.600 0.066 0.000 0.932 276 K CA -0.318 55.969 56.287 -0.001 0.000 0.833 276 K CB 1.352 33.939 32.500 0.144 0.000 1.340 276 K HN 0.179 nan 8.250 nan 0.000 0.429 277 G N 2.664 111.468 108.800 0.006 0.000 2.667 277 G HA2 0.737 4.698 3.960 0.002 0.000 0.298 277 G HA3 0.737 4.698 3.960 0.002 0.000 0.298 277 G C -1.971 173.047 174.900 0.197 0.000 1.377 277 G CA -0.642 44.499 45.100 0.069 0.000 0.964 277 G HN 0.598 nan 8.290 nan 0.000 0.493 278 Y N -0.908 119.556 120.300 0.273 0.000 2.713 278 Y HA 0.647 5.198 4.550 0.002 0.000 0.335 278 Y C -0.977 175.068 175.900 0.241 0.000 1.222 278 Y CA -1.798 56.456 58.100 0.258 0.000 1.061 278 Y CB 0.775 39.273 38.460 0.063 0.000 1.314 278 Y HN 0.521 nan 8.280 nan 0.000 0.453 279 I N 2.127 122.823 120.570 0.209 0.000 2.396 279 I HA 0.158 4.329 4.170 0.002 0.000 0.289 279 I C 0.931 177.091 176.117 0.072 0.000 1.056 279 I CA 0.068 61.298 61.300 -0.116 0.000 1.365 279 I CB 1.643 39.534 38.000 -0.182 0.000 1.407 279 I HN 0.872 nan 8.210 nan 0.000 0.509 280 S N 4.000 119.706 115.700 0.009 0.000 2.458 280 S HA 0.030 4.501 4.470 0.002 0.000 0.223 280 S C 0.398 175.096 174.600 0.164 0.000 1.019 280 S CA 0.747 59.085 58.200 0.230 0.000 0.937 280 S CB 0.115 63.427 63.200 0.187 0.000 0.788 280 S HN 0.730 nan 8.310 nan 0.000 0.511 281 E N -1.041 119.129 120.200 -0.049 0.000 2.396 281 E HA 0.595 4.946 4.350 0.002 0.000 0.280 281 E C -2.045 174.552 176.600 -0.004 0.000 1.065 281 E CA -0.567 55.792 56.400 -0.069 0.000 0.831 281 E CB 0.661 30.231 29.700 -0.217 0.000 1.272 281 E HN 0.125 nan 8.360 nan 0.000 0.443 282 L N 1.667 122.947 121.223 0.095 0.000 2.271 282 L HA 0.801 5.142 4.340 0.002 0.000 0.265 282 L C -1.062 175.964 176.870 0.260 0.000 1.013 282 L CA -0.756 54.151 54.840 0.112 0.000 0.820 282 L CB 1.333 43.416 42.059 0.040 0.000 1.352 282 L HN 0.559 nan 8.230 nan 0.000 0.443 283 F N 0.876 120.779 119.950 -0.078 0.000 2.881 283 F HA 0.494 5.022 4.527 0.002 0.000 0.348 283 F C -1.404 174.330 175.800 -0.110 0.000 1.240 283 F CA -0.885 56.949 58.000 -0.278 0.000 1.130 283 F CB 1.139 39.922 39.000 -0.363 0.000 1.417 283 F HN -0.022 nan 8.300 nan 0.000 0.585 284 V N 7.450 127.122 119.914 -0.403 0.000 2.260 284 V HA 0.359 4.481 4.120 0.002 0.000 0.263 284 V C -2.369 173.460 176.094 -0.442 0.000 1.036 284 V CA -1.353 60.699 62.300 -0.413 0.000 0.874 284 V CB 0.629 32.288 31.823 -0.274 0.000 1.116 284 V HN 0.489 nan 8.190 nan 0.000 0.454 285 P HA 0.289 nan 4.420 nan 0.000 0.282 285 P C -0.935 176.229 177.300 -0.228 0.000 1.262 285 P CA -0.059 62.791 63.100 -0.417 0.000 0.773 285 P CB 0.906 32.262 31.700 -0.572 0.000 0.879 286 Y N 1.340 121.511 120.300 -0.215 0.000 2.326 286 Y HA 0.209 4.760 4.550 0.002 0.000 0.324 286 Y C 1.745 177.591 175.900 -0.091 0.000 1.291 286 Y CA 0.233 58.217 58.100 -0.193 0.000 1.348 286 Y CB 0.928 39.169 38.460 -0.365 0.000 1.294 286 Y HN 0.295 nan 8.280 nan 0.000 0.525 287 Q N 0.969 120.800 119.800 0.051 0.000 2.155 287 Q HA 0.125 4.466 4.340 0.002 0.000 0.273 287 Q C -1.154 174.843 176.000 -0.004 0.000 0.857 287 Q CA -0.090 55.752 55.803 0.064 0.000 1.116 287 Q CB 0.512 29.333 28.738 0.139 0.000 1.209 287 Q HN 0.550 nan 8.270 nan 0.000 0.460 288 D N 1.783 122.147 120.400 -0.060 0.000 2.441 288 D HA 0.191 4.832 4.640 0.002 0.000 0.231 288 D C -1.677 174.562 176.300 -0.100 0.000 1.073 288 D CA -1.971 51.910 54.000 -0.197 0.000 0.850 288 D CB 1.747 42.541 40.800 -0.011 0.000 1.062 288 D HN -0.088 nan 8.370 nan 0.000 0.524 289 P HA -0.042 nan 4.420 nan 0.000 0.237 289 P C 0.647 177.969 177.300 0.038 0.000 1.178 289 P CA 0.320 63.396 63.100 -0.040 0.000 0.766 289 P CB -0.184 31.463 31.700 -0.089 0.000 0.876 290 T N -2.754 111.821 114.554 0.035 0.000 2.748 290 T HA 0.048 4.399 4.350 0.002 0.000 0.304 290 T C 1.331 176.164 174.700 0.220 0.000 1.041 290 T CA -0.264 61.896 62.100 0.100 0.000 1.033 290 T CB 0.803 69.741 68.868 0.116 0.000 0.995 290 T HN -0.123 nan 8.240 nan 0.000 0.536 291 E N 0.142 120.445 120.200 0.170 0.000 2.110 291 E HA -0.157 4.194 4.350 0.002 0.000 0.193 291 E C 1.964 178.731 176.600 0.279 0.000 0.988 291 E CA 1.416 57.969 56.400 0.254 0.000 0.804 291 E CB -0.242 29.502 29.700 0.072 0.000 0.745 291 E HN 0.860 nan 8.360 nan 0.000 0.458 292 E N -0.964 119.297 120.200 0.102 0.000 2.118 292 E HA -0.152 4.199 4.350 0.002 0.000 0.195 292 E C 0.890 177.256 176.600 -0.390 0.000 0.992 292 E CA 1.177 57.493 56.400 -0.140 0.000 0.804 292 E CB -0.026 29.569 29.700 -0.175 0.000 0.741 292 E HN 0.165 nan 8.360 nan 0.000 0.458 293 F N -2.199 117.785 119.950 0.056 0.000 2.925 293 F HA 0.126 4.654 4.527 0.002 0.000 0.355 293 F C 0.843 176.391 175.800 -0.419 0.000 1.073 293 F CA -0.305 57.519 58.000 -0.294 0.000 1.127 293 F CB -0.301 38.591 39.000 -0.179 0.000 1.123 293 F HN 0.073 nan 8.300 nan 0.000 0.551 294 Y N 0.623 120.944 120.300 0.034 0.000 2.271 294 Y HA -0.319 4.232 4.550 0.002 0.000 0.284 294 Y C 1.690 177.645 175.900 0.091 0.000 1.189 294 Y CA 1.792 59.909 58.100 0.029 0.000 1.229 294 Y CB -1.835 36.597 38.460 -0.047 0.000 0.973 294 Y HN 0.154 nan 8.280 nan 0.000 0.537 295 F N 0.305 119.805 119.950 -0.749 0.000 2.749 295 F HA 0.374 4.902 4.527 0.002 0.000 0.300 295 F C 0.875 176.770 175.800 0.159 0.000 1.103 295 F CA -1.027 56.794 58.000 -0.299 0.000 1.342 295 F CB -0.366 38.293 39.000 -0.568 0.000 1.098 295 F HN -0.122 nan 8.300 nan 0.000 0.586 296 K N 2.546 122.557 120.400 -0.648 0.000 2.262 296 K HA 0.241 4.562 4.320 0.002 0.000 0.288 296 K C -0.330 176.269 176.600 -0.002 0.000 1.090 296 K CA 0.234 56.347 56.287 -0.290 0.000 0.918 296 K CB -0.050 32.073 32.500 -0.630 0.000 1.139 296 K HN 0.321 nan 8.250 nan 0.000 0.462 297 T N 2.179 116.894 114.554 0.268 0.000 3.816 297 T HA 0.250 4.601 4.350 0.002 0.000 0.232 297 T C -0.401 174.549 174.700 0.418 0.000 1.125 297 T CA -0.805 61.438 62.100 0.239 0.000 1.609 297 T CB -0.464 68.586 68.868 0.303 0.000 0.805 297 T HN 0.120 nan 8.240 nan 0.000 0.647 298 F N 1.769 121.778 119.950 0.099 0.000 2.602 298 F HA 0.353 4.881 4.527 0.002 0.000 0.367 298 F C 0.474 176.362 175.800 0.147 0.000 1.126 298 F CA -1.050 57.091 58.000 0.235 0.000 1.321 298 F CB -0.095 39.005 39.000 0.166 0.000 1.094 298 F HN 0.418 nan 8.300 nan 0.000 0.594 299 F N 2.648 122.876 119.950 0.464 0.000 2.334 299 F HA 0.243 4.772 4.527 0.002 0.000 0.343 299 F C 1.100 177.102 175.800 0.337 0.000 1.136 299 F CA -0.794 57.426 58.000 0.368 0.000 1.237 299 F CB -0.107 39.043 39.000 0.250 0.000 1.525 299 F HN 0.321 nan 8.300 nan 0.000 0.528 300 D N -0.249 120.442 120.400 0.484 0.000 2.158 300 D HA -0.184 4.457 4.640 0.002 0.000 0.197 300 D C 2.026 178.604 176.300 0.464 0.000 0.995 300 D CA 1.613 55.939 54.000 0.542 0.000 0.846 300 D CB -0.031 41.100 40.800 0.552 0.000 0.941 300 D HN 0.276 nan 8.370 nan 0.000 0.456 301 S N -0.221 115.631 115.700 0.253 0.000 2.377 301 S HA 0.006 4.477 4.470 0.002 0.000 0.223 301 S C 2.167 176.797 174.600 0.050 0.000 1.030 301 S CA 0.974 59.252 58.200 0.129 0.000 0.970 301 S CB -0.559 62.565 63.200 -0.127 0.000 0.830 301 S HN 0.417 nan 8.310 nan 0.000 0.473 302 G N 1.429 110.250 108.800 0.035 0.000 2.402 302 G HA2 -0.137 3.824 3.960 0.002 0.000 0.216 302 G HA3 -0.137 3.824 3.960 0.002 0.000 0.216 302 G C 1.281 176.145 174.900 -0.060 0.000 1.162 302 G CA 0.507 45.559 45.100 -0.080 0.000 0.777 302 G HN 0.525 nan 8.290 nan 0.000 0.539 303 E N -0.842 119.351 120.200 -0.012 0.000 2.140 303 E HA 0.121 4.473 4.350 0.002 0.000 0.191 303 E C 1.495 177.826 176.600 -0.448 0.000 0.973 303 E CA 0.473 56.715 56.400 -0.263 0.000 0.829 303 E CB 0.061 29.538 29.700 -0.372 0.000 0.781 303 E HN 0.549 nan 8.360 nan 0.000 0.466 304 F N -0.432 119.555 119.950 0.062 0.000 2.752 304 F HA 0.340 4.869 4.527 0.002 0.000 0.310 304 F C 0.712 176.569 175.800 0.096 0.000 1.097 304 F CA 0.216 58.258 58.000 0.069 0.000 1.238 304 F CB 1.323 40.361 39.000 0.063 0.000 1.061 304 F HN -0.076 nan 8.300 nan 0.000 0.591 305 G N 0.924 109.884 108.800 0.266 0.000 3.445 305 G HA2 -0.258 3.704 3.960 0.002 0.000 0.680 305 G HA3 -0.258 3.704 3.960 0.002 0.000 0.680 305 G C 0.021 175.111 174.900 0.317 0.000 0.972 305 G CA -0.580 44.647 45.100 0.212 0.000 0.798 305 G HN 0.046 nan 8.290 nan 0.000 0.461 306 F N 2.584 122.582 119.950 0.080 0.000 2.128 306 F HA 0.112 4.640 4.527 0.002 0.000 0.295 306 F C 2.756 178.598 175.800 0.069 0.000 1.100 306 F CA 2.527 60.586 58.000 0.099 0.000 1.260 306 F CB -0.614 38.456 39.000 0.116 0.000 1.009 306 F HN 0.625 nan 8.300 nan 0.000 0.476 307 G N -0.176 108.692 108.800 0.113 0.000 2.422 307 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 307 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 307 G C 1.817 176.831 174.900 0.190 0.000 1.146 307 G CA 0.730 45.809 45.100 -0.035 0.000 0.769 307 G HN 0.343 nan 8.290 nan 0.000 0.547 308 L N 0.937 122.224 121.223 0.106 0.000 2.201 308 L HA -0.008 4.333 4.340 0.002 0.000 0.212 308 L C 2.311 179.232 176.870 0.085 0.000 1.105 308 L CA 0.901 55.782 54.840 0.067 0.000 0.775 308 L CB -0.057 42.016 42.059 0.024 0.000 0.913 308 L HN 0.138 nan 8.230 nan 0.000 0.440 309 S N -1.419 114.338 115.700 0.095 0.000 2.634 309 S HA 0.044 4.515 4.470 0.002 0.000 0.221 309 S C 0.681 175.284 174.600 0.005 0.000 0.952 309 S CA -0.095 58.130 58.200 0.042 0.000 0.930 309 S CB -0.151 63.062 63.200 0.023 0.000 0.780 309 S HN 0.242 nan 8.310 nan 0.000 0.498 310 T N 3.565 118.160 114.554 0.068 0.000 2.814 310 T HA 0.336 4.687 4.350 0.002 0.000 0.297 310 T C 0.541 175.262 174.700 0.035 0.000 0.956 310 T CA -0.314 61.831 62.100 0.074 0.000 1.123 310 T CB 0.842 69.861 68.868 0.251 0.000 0.902 310 T HN 0.255 nan 8.240 nan 0.000 0.528 311 V N 1.857 121.775 119.914 0.006 0.000 3.134 311 V HA 0.610 4.732 4.120 0.002 0.000 0.313 311 V C 0.414 176.495 176.094 -0.021 0.000 1.069 311 V CA -0.853 61.441 62.300 -0.010 0.000 1.048 311 V CB 1.413 33.227 31.823 -0.014 0.000 1.119 311 V HN 0.742 nan 8.190 nan 0.000 0.461 312 S N 2.748 118.421 115.700 -0.045 0.000 2.505 312 S HA 0.476 4.947 4.470 0.002 0.000 0.276 312 S C -0.087 174.475 174.600 -0.063 0.000 1.274 312 S CA -0.344 57.810 58.200 -0.076 0.000 1.053 312 S CB -0.040 63.096 63.200 -0.106 0.000 0.919 312 S HN 0.600 nan 8.310 nan 0.000 0.490 313 L N 4.166 125.358 121.223 -0.051 0.000 2.416 313 L HA 0.263 4.605 4.340 0.002 0.000 0.272 313 L C 0.155 176.985 176.870 -0.066 0.000 1.161 313 L CA -0.072 54.775 54.840 0.010 0.000 0.845 313 L CB 0.147 42.322 42.059 0.193 0.000 1.119 313 L HN 0.537 nan 8.230 nan 0.000 0.464 314 I N 5.025 125.584 120.570 -0.019 0.000 2.396 314 I HA 0.168 4.339 4.170 0.002 0.000 0.289 314 I C -1.997 174.126 176.117 0.009 0.000 1.056 314 I CA -1.835 59.443 61.300 -0.037 0.000 1.365 314 I CB 0.658 38.646 38.000 -0.020 0.000 1.407 314 I HN 0.314 nan 8.210 nan 0.000 0.509 315 P HA 0.093 nan 4.420 nan 0.000 0.268 315 P C -0.156 177.181 177.300 0.063 0.000 1.205 315 P CA 0.109 63.270 63.100 0.101 0.000 0.771 315 P CB 0.279 32.000 31.700 0.034 0.000 0.858 316 N N -0.228 118.514 118.700 0.070 0.000 2.815 316 N HA -0.253 4.488 4.740 0.002 0.000 0.247 316 N C 0.813 176.313 175.510 -0.017 0.000 1.030 316 N CA 0.501 53.557 53.050 0.010 0.000 0.881 316 N CB -0.564 37.933 38.487 0.017 0.000 1.134 316 N HN 0.458 nan 8.380 nan 0.000 0.582 317 R N -0.538 119.955 120.500 -0.011 0.000 2.342 317 R HA 0.129 4.470 4.340 0.002 0.000 0.179 317 R C 0.888 177.170 176.300 -0.031 0.000 0.989 317 R CA 0.463 56.551 56.100 -0.021 0.000 1.125 317 R CB -0.405 29.888 30.300 -0.010 0.000 1.211 317 R HN 0.099 nan 8.270 nan 0.000 0.568 318 D N 0.330 120.728 120.400 -0.003 0.000 2.277 318 D HA 0.035 4.676 4.640 0.002 0.000 0.208 318 D C 0.213 176.491 176.300 -0.037 0.000 0.962 318 D CA 0.694 54.697 54.000 0.005 0.000 0.865 318 D CB 0.379 41.208 40.800 0.049 0.000 0.939 318 D HN 0.079 nan 8.370 nan 0.000 0.510 319 c N 0.951 119.496 118.600 -0.092 0.000 2.698 319 c HA 0.416 4.987 4.570 0.002 0.000 0.309 319 c C -2.365 171.498 174.090 -0.379 0.000 1.186 319 c CA -1.648 54.475 56.329 -0.343 0.000 1.474 319 c CB 2.308 44.685 42.510 -0.222 0.000 2.020 319 c HN 0.057 nan 8.230 nan 0.000 0.474 320 P HA 0.221 nan 4.420 nan 0.000 0.272 320 P C -2.166 174.978 177.300 -0.260 0.000 1.240 320 P CA -0.910 61.943 63.100 -0.412 0.000 0.791 320 P CB 0.067 31.459 31.700 -0.515 0.000 0.978 321 P HA -0.180 nan 4.420 nan 0.000 0.220 321 P C 0.946 178.321 177.300 0.124 0.000 1.144 321 P CA 1.569 64.716 63.100 0.077 0.000 0.800 321 P CB -0.538 31.233 31.700 0.119 0.000 0.772 322 H N -2.202 116.874 119.070 0.011 0.000 2.539 322 H HA 0.458 5.015 4.556 0.002 0.000 0.269 322 H C 0.554 175.940 175.328 0.097 0.000 0.980 322 H CA -0.304 55.786 56.048 0.071 0.000 1.152 322 H CB -0.701 29.124 29.762 0.106 0.000 1.407 322 H HN -0.066 nan 8.280 nan 0.000 0.564 323 A N 1.366 124.081 122.820 -0.175 0.000 2.407 323 A HA 0.210 4.531 4.320 0.002 0.000 0.248 323 A C 0.227 177.656 177.584 -0.259 0.000 1.082 323 A CA -0.321 51.580 52.037 -0.228 0.000 0.785 323 A CB 0.511 19.236 19.000 -0.458 0.000 1.020 323 A HN 0.511 nan 8.150 nan 0.000 0.489 324 Q N 0.018 119.697 119.800 -0.203 0.000 2.245 324 Q HA 0.545 4.886 4.340 0.002 0.000 0.256 324 Q C -1.645 174.085 176.000 -0.449 0.000 0.942 324 Q CA -0.209 55.490 55.803 -0.174 0.000 0.896 324 Q CB 1.436 30.250 28.738 0.126 0.000 1.272 324 Q HN 0.644 nan 8.270 nan 0.000 0.442 325 F N 2.057 122.011 119.950 0.008 0.000 2.450 325 F HA 0.493 5.021 4.527 0.001 0.000 0.332 325 F C -0.005 175.759 175.800 -0.061 0.000 1.093 325 F CA -0.635 57.347 58.000 -0.031 0.000 1.003 325 F CB 1.015 39.998 39.000 -0.029 0.000 1.151 325 F HN 0.309 nan 8.300 nan 0.000 0.474 326 I N 3.070 123.708 120.570 0.113 0.000 2.406 326 I HA 0.268 4.439 4.170 0.002 0.000 0.290 326 I C -0.798 175.309 176.117 -0.018 0.000 0.999 326 I CA -0.822 60.477 61.300 -0.001 0.000 1.124 326 I CB 1.304 39.258 38.000 -0.077 0.000 1.289 326 I HN 0.411 nan 8.210 nan 0.000 0.441 327 D N 4.375 124.745 120.400 -0.052 0.000 2.264 327 D HA 0.415 5.056 4.640 0.002 0.000 0.249 327 D C 0.228 176.421 176.300 -0.179 0.000 1.070 327 D CA 0.085 54.003 54.000 -0.136 0.000 0.912 327 D CB 1.725 42.437 40.800 -0.147 0.000 1.193 327 D HN 0.602 nan 8.370 nan 0.000 0.427 328 T N -1.670 112.688 114.554 -0.327 0.000 2.858 328 T HA 0.584 4.935 4.350 0.002 0.000 0.285 328 T C -0.863 173.584 174.700 -0.422 0.000 1.052 328 T CA -0.778 61.134 62.100 -0.314 0.000 1.009 328 T CB 0.728 69.213 68.868 -0.637 0.000 1.241 328 T HN 0.185 nan 8.240 nan 0.000 0.542 329 Y N 0.333 120.654 120.300 0.036 0.000 2.341 329 Y HA 0.574 5.125 4.550 0.002 0.000 0.338 329 Y C 0.448 176.403 175.900 0.092 0.000 0.965 329 Y CA -0.731 57.417 58.100 0.081 0.000 1.108 329 Y CB 1.805 40.411 38.460 0.242 0.000 1.180 329 Y HN 0.761 nan 8.280 nan 0.000 0.458 330 V N 0.139 120.068 119.914 0.026 0.000 3.345 330 V HA 0.624 4.745 4.120 0.002 0.000 0.308 330 V C -0.470 175.340 176.094 -0.473 0.000 1.168 330 V CA -0.829 61.394 62.300 -0.128 0.000 1.024 330 V CB 1.889 33.672 31.823 -0.068 0.000 1.211 330 V HN 0.827 nan 8.190 nan 0.000 0.461 331 H N -0.225 118.558 119.070 -0.478 0.000 2.690 331 H HA 0.727 5.284 4.556 0.002 0.000 0.368 331 H C -0.354 174.846 175.328 -0.214 0.000 1.150 331 H CA -0.092 55.663 56.048 -0.489 0.000 1.174 331 H CB 1.801 31.247 29.762 -0.527 0.000 1.684 331 H HN 0.889 nan 8.280 nan 0.000 0.538 332 S N 1.214 116.916 115.700 0.003 0.000 2.671 332 S HA 0.416 4.887 4.470 0.002 0.000 0.272 332 S C 1.539 176.235 174.600 0.160 0.000 1.174 332 S CA -0.336 57.886 58.200 0.036 0.000 1.004 332 S CB 0.980 64.189 63.200 0.014 0.000 1.077 332 S HN 0.849 nan 8.310 nan 0.000 0.553 333 A N 1.063 123.947 122.820 0.107 0.000 2.070 333 A HA -0.091 4.230 4.320 0.002 0.000 0.220 333 A C 1.765 179.492 177.584 0.238 0.000 1.159 333 A CA 1.667 53.778 52.037 0.124 0.000 0.656 333 A CB -1.356 17.663 19.000 0.032 0.000 0.800 333 A HN 0.967 nan 8.150 nan 0.000 0.453 334 N N -1.880 116.947 118.700 0.212 0.000 2.336 334 N HA 0.304 5.045 4.740 0.002 0.000 0.189 334 N C 0.923 176.619 175.510 0.310 0.000 1.113 334 N CA 1.138 54.361 53.050 0.288 0.000 0.858 334 N CB 0.027 38.600 38.487 0.144 0.000 0.970 334 N HN 0.625 nan 8.380 nan 0.000 0.471 335 G N -1.480 107.343 108.800 0.038 0.000 2.175 335 G HA2 -0.261 3.700 3.960 0.002 0.000 0.244 335 G HA3 -0.261 3.700 3.960 0.002 0.000 0.244 335 G C -0.059 174.667 174.900 -0.290 0.000 0.982 335 G CA 0.320 45.079 45.100 -0.567 0.000 0.641 335 G HN 0.439 nan 8.290 nan 0.000 0.527 336 T N 4.034 118.517 114.554 -0.119 0.000 2.851 336 T HA 0.481 4.832 4.350 0.002 0.000 0.298 336 T C -1.965 172.651 174.700 -0.141 0.000 0.977 336 T CA -0.327 61.718 62.100 -0.091 0.000 1.126 336 T CB 1.774 70.623 68.868 -0.032 0.000 0.916 336 T HN 0.205 nan 8.240 nan 0.000 0.529 337 P HA 0.316 nan 4.420 nan 0.000 0.276 337 P C -0.768 176.535 177.300 0.004 0.000 1.235 337 P CA -0.165 62.819 63.100 -0.193 0.000 0.772 337 P CB 0.482 32.090 31.700 -0.153 0.000 0.871 338 I N 3.884 124.465 120.570 0.018 0.000 2.406 338 I HA 0.209 4.381 4.170 0.002 0.000 0.290 338 I C 0.438 176.572 176.117 0.028 0.000 0.999 338 I CA -1.226 60.102 61.300 0.048 0.000 1.124 338 I CB 1.798 39.771 38.000 -0.046 0.000 1.289 338 I HN 0.188 nan 8.210 nan 0.000 0.441 339 L N 7.849 129.019 121.223 -0.088 0.000 2.410 339 L HA 0.251 4.593 4.340 0.002 0.000 0.273 339 L C -0.734 175.934 176.870 -0.336 0.000 1.144 339 L CA 0.079 54.608 54.840 -0.518 0.000 0.863 339 L CB 0.668 42.514 42.059 -0.356 0.000 1.140 339 L HN 0.479 nan 8.230 nan 0.000 0.463 340 L N 6.194 127.178 121.223 -0.398 0.000 2.335 340 L HA 0.436 4.777 4.340 0.002 0.000 0.268 340 L C -0.456 176.259 176.870 -0.259 0.000 1.037 340 L CA -0.434 54.251 54.840 -0.258 0.000 0.895 340 L CB 0.055 41.977 42.059 -0.228 0.000 1.266 340 L HN 0.479 nan 8.230 nan 0.000 0.439 341 K N 3.737 124.010 120.400 -0.211 0.000 2.448 341 K HA 0.095 4.417 4.320 0.002 0.000 0.278 341 K C 0.285 176.773 176.600 -0.188 0.000 1.009 341 K CA 0.159 56.330 56.287 -0.193 0.000 0.995 341 K CB 0.134 32.528 32.500 -0.177 0.000 0.917 341 K HN 0.600 nan 8.250 nan 0.000 0.481 342 N N 0.765 119.363 118.700 -0.169 0.000 2.714 342 N HA -0.231 4.511 4.740 0.002 0.000 0.253 342 N C 0.381 175.871 175.510 -0.032 0.000 1.024 342 N CA 1.014 53.986 53.050 -0.130 0.000 0.726 342 N CB -1.279 36.924 38.487 -0.474 0.000 0.908 342 N HN 0.698 nan 8.380 nan 0.000 0.542 343 A N -0.737 122.044 122.820 -0.064 0.000 2.067 343 A HA 0.261 4.582 4.320 0.002 0.000 0.217 343 A C 0.815 178.410 177.584 0.018 0.000 1.156 343 A CA 0.764 52.751 52.037 -0.083 0.000 0.683 343 A CB 0.389 19.213 19.000 -0.294 0.000 0.808 343 A HN 0.405 nan 8.150 nan 0.000 0.455 344 I N -0.319 120.291 120.570 0.065 0.000 2.569 344 I HA 0.357 4.528 4.170 0.002 0.000 0.290 344 I C -0.612 175.569 176.117 0.106 0.000 1.088 344 I CA -0.865 60.486 61.300 0.085 0.000 1.047 344 I CB 2.262 40.284 38.000 0.035 0.000 1.237 344 I HN 0.319 nan 8.210 nan 0.000 0.421 345 c N 4.311 122.931 118.600 0.035 0.000 2.634 345 c HA 0.915 5.486 4.570 0.002 0.000 0.313 345 c C -0.600 173.381 174.090 -0.180 0.000 1.198 345 c CA -0.731 55.490 56.329 -0.179 0.000 1.605 345 c CB 1.113 43.380 42.510 -0.404 0.000 2.196 345 c HN 0.509 nan 8.230 nan 0.000 0.486 346 V N 3.399 123.114 119.914 -0.330 0.000 2.487 346 V HA 0.825 4.946 4.120 0.002 0.000 0.298 346 V C -0.383 175.435 176.094 -0.461 0.000 1.028 346 V CA -0.093 61.878 62.300 -0.548 0.000 0.860 346 V CB 1.011 32.328 31.823 -0.844 0.000 0.991 346 V HN 1.000 nan 8.190 nan 0.000 0.427 347 F N 1.099 120.778 119.950 -0.452 0.000 2.654 347 F HA 0.758 5.287 4.527 0.002 0.000 0.308 347 F C -0.644 175.114 175.800 -0.070 0.000 1.108 347 F CA -1.183 56.683 58.000 -0.223 0.000 0.957 347 F CB 1.467 40.229 39.000 -0.397 0.000 1.309 347 F HN 0.371 nan 8.300 nan 0.000 0.446 348 E N 1.659 122.116 120.200 0.428 0.000 2.249 348 E HA 0.239 4.590 4.350 0.002 0.000 0.280 348 E C -1.114 175.792 176.600 0.511 0.000 1.016 348 E CA -0.850 55.748 56.400 0.330 0.000 0.830 348 E CB 1.601 31.549 29.700 0.412 0.000 1.081 348 E HN 0.583 nan 8.360 nan 0.000 0.395 349 Q N 3.259 123.166 119.800 0.179 0.000 2.316 349 Q HA 0.260 4.601 4.340 0.002 0.000 0.264 349 Q C -1.540 174.451 176.000 -0.015 0.000 0.987 349 Q CA -0.580 55.371 55.803 0.247 0.000 0.852 349 Q CB 0.865 29.709 28.738 0.176 0.000 1.287 349 Q HN 0.525 nan 8.270 nan 0.000 0.448 350 Y N 0.331 120.728 120.300 0.161 0.000 2.567 350 Y HA 0.525 5.076 4.550 0.003 0.000 0.333 350 Y C 1.149 177.096 175.900 0.078 0.000 1.106 350 Y CA 0.471 58.635 58.100 0.108 0.000 1.157 350 Y CB 2.340 40.841 38.460 0.069 0.000 1.277 350 Y HN 0.881 nan 8.280 nan 0.000 0.490 351 G N 1.099 110.036 108.800 0.228 0.000 2.179 351 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 351 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 351 G C -0.325 174.625 174.900 0.084 0.000 0.990 351 G CA -0.535 44.651 45.100 0.142 0.000 0.646 351 G HN 0.543 nan 8.290 nan 0.000 0.517 352 N N 0.163 118.904 118.700 0.067 0.000 2.524 352 N HA 0.617 5.358 4.740 0.002 0.000 0.283 352 N C 0.452 175.978 175.510 0.026 0.000 1.142 352 N CA -0.301 52.776 53.050 0.046 0.000 0.984 352 N CB 0.832 39.345 38.487 0.045 0.000 1.155 352 N HN 0.293 nan 8.380 nan 0.000 0.467 353 I N 2.251 122.834 120.570 0.021 0.000 2.441 353 I HA 0.056 4.227 4.170 0.002 0.000 0.287 353 I C 1.647 177.766 176.117 0.003 0.000 1.049 353 I CA -0.026 61.273 61.300 -0.002 0.000 1.381 353 I CB 0.889 38.898 38.000 0.015 0.000 1.409 353 I HN 0.563 nan 8.210 nan 0.000 0.523 354 M N 7.751 127.315 119.600 -0.059 0.000 2.248 354 M HA 0.069 4.550 4.480 0.002 0.000 0.265 354 M C -0.306 176.069 176.300 0.126 0.000 1.079 354 M CA 1.369 56.658 55.300 -0.017 0.000 1.150 354 M CB 0.483 33.004 32.600 -0.132 0.000 1.366 354 M HN 0.659 nan 8.290 nan 0.000 0.433 355 W N 0.025 121.341 121.300 0.028 0.000 3.057 355 W HA 0.487 5.148 4.660 0.002 0.000 0.328 355 W C -1.848 174.694 176.519 0.039 0.000 1.232 355 W CA -1.053 56.309 57.345 0.028 0.000 1.187 355 W CB 0.187 29.656 29.460 0.015 0.000 1.417 355 W HN 0.208 nan 8.180 nan 0.000 0.569 356 R N 1.284 122.066 120.500 0.470 0.000 2.712 356 R HA 0.676 5.017 4.340 0.002 0.000 0.272 356 R C -2.482 174.057 176.300 0.398 0.000 1.032 356 R CA -0.877 55.432 56.100 0.348 0.000 0.874 356 R CB 2.419 32.805 30.300 0.143 0.000 1.256 356 R HN 0.659 nan 8.270 nan 0.000 0.468 357 H N -0.236 118.953 119.070 0.199 0.000 3.087 357 H HA 0.378 4.935 4.556 0.002 0.000 0.348 357 H C -1.717 173.665 175.328 0.089 0.000 1.092 357 H CA -0.185 55.939 56.048 0.127 0.000 1.285 357 H CB 2.693 32.521 29.762 0.111 0.000 1.875 357 H HN 0.717 nan 8.280 nan 0.000 0.512 358 T N 4.176 118.462 114.554 -0.446 0.000 2.756 358 T HA 0.198 4.549 4.350 0.002 0.000 0.290 358 T C -0.435 173.875 174.700 -0.649 0.000 0.985 358 T CA -0.586 61.293 62.100 -0.369 0.000 0.955 358 T CB 0.753 69.506 68.868 -0.192 0.000 0.930 358 T HN 0.464 nan 8.240 nan 0.000 0.451 359 E N 2.955 122.972 120.200 -0.304 0.000 2.046 359 E HA 0.266 4.617 4.350 0.002 0.000 0.279 359 E C 0.321 176.887 176.600 -0.057 0.000 0.989 359 E CA -0.374 55.950 56.400 -0.128 0.000 0.798 359 E CB 0.196 29.942 29.700 0.076 0.000 1.086 359 E HN 0.339 nan 8.360 nan 0.000 0.399 360 N N 2.955 121.624 118.700 -0.052 0.000 2.214 360 N HA 0.121 4.862 4.740 0.002 0.000 0.214 360 N C 0.698 176.210 175.510 0.004 0.000 1.132 360 N CA 0.315 53.352 53.050 -0.022 0.000 0.856 360 N CB 1.442 39.913 38.487 -0.028 0.000 1.020 360 N HN 0.535 nan 8.380 nan 0.000 0.509 361 G N -0.101 108.713 108.800 0.023 0.000 3.088 361 G HA2 0.202 4.163 3.960 0.002 0.000 0.217 361 G HA3 0.202 4.163 3.960 0.002 0.000 0.217 361 G C 0.423 175.336 174.900 0.022 0.000 1.159 361 G CA -0.069 45.047 45.100 0.026 0.000 0.760 361 G HN 0.151 nan 8.290 nan 0.000 0.550 362 I N 1.926 122.508 120.570 0.021 0.000 2.307 362 I HA 0.238 4.409 4.170 0.002 0.000 0.289 362 I C -2.265 173.859 176.117 0.012 0.000 1.021 362 I CA -2.122 59.189 61.300 0.018 0.000 1.224 362 I CB 1.875 39.888 38.000 0.022 0.000 1.376 362 I HN -0.170 nan 8.210 nan 0.000 0.470 363 P HA -0.055 nan 4.420 nan 0.000 0.261 363 P C -0.126 177.178 177.300 0.007 0.000 1.165 363 P CA 0.702 63.806 63.100 0.007 0.000 0.759 363 P CB 0.074 31.777 31.700 0.006 0.000 0.772 364 N N -0.499 118.204 118.700 0.005 0.000 2.753 364 N HA -0.202 4.539 4.740 0.002 0.000 0.251 364 N C -0.353 175.161 175.510 0.006 0.000 1.097 364 N CA 0.638 53.691 53.050 0.005 0.000 0.786 364 N CB -0.845 37.645 38.487 0.005 0.000 1.137 364 N HN 0.538 nan 8.380 nan 0.000 0.566 365 E N 0.424 120.629 120.200 0.008 0.000 2.248 365 E HA 0.376 4.728 4.350 0.002 0.000 0.267 365 E C -0.734 175.871 176.600 0.008 0.000 0.877 365 E CA -0.543 55.863 56.400 0.010 0.000 0.759 365 E CB 1.790 31.498 29.700 0.014 0.000 1.182 365 E HN 0.238 nan 8.360 nan 0.000 0.418 366 S N 3.074 118.779 115.700 0.008 0.000 2.601 366 S HA 0.515 4.986 4.470 0.002 0.000 0.312 366 S C -0.185 174.421 174.600 0.009 0.000 1.107 366 S CA -0.850 57.353 58.200 0.004 0.000 1.129 366 S CB 0.284 63.484 63.200 0.001 0.000 0.982 366 S HN 0.281 nan 8.310 nan 0.000 0.469 367 I N 3.294 123.870 120.570 0.010 0.000 2.441 367 I HA 0.588 4.759 4.170 0.002 0.000 0.295 367 I C 0.005 176.130 176.117 0.013 0.000 0.994 367 I CA -0.717 60.598 61.300 0.026 0.000 1.144 367 I CB 1.356 39.386 38.000 0.051 0.000 1.314 367 I HN 0.951 nan 8.210 nan 0.000 0.445 368 E N 3.932 124.149 120.200 0.027 0.000 2.321 368 E HA 0.650 5.001 4.350 0.002 0.000 0.281 368 E C -1.532 175.101 176.600 0.055 0.000 0.910 368 E CA -0.840 55.573 56.400 0.022 0.000 0.770 368 E CB 2.737 32.434 29.700 -0.005 0.000 1.225 368 E HN 0.447 nan 8.360 nan 0.000 0.417 369 E N 1.739 121.995 120.200 0.094 0.000 2.263 369 E HA 0.418 4.769 4.350 0.002 0.000 0.268 369 E C -1.956 174.679 176.600 0.059 0.000 0.884 369 E CA -0.536 55.922 56.400 0.096 0.000 0.766 369 E CB 2.379 32.206 29.700 0.211 0.000 1.196 369 E HN 0.389 nan 8.360 nan 0.000 0.416 370 S N 4.128 119.800 115.700 -0.046 0.000 2.647 370 S HA 0.616 5.087 4.470 0.002 0.000 0.300 370 S C -1.168 173.282 174.600 -0.251 0.000 1.129 370 S CA -0.763 57.371 58.200 -0.109 0.000 1.029 370 S CB 0.407 63.576 63.200 -0.052 0.000 1.007 370 S HN 0.462 nan 8.310 nan 0.000 0.484 371 R N 1.781 122.008 120.500 -0.455 0.000 2.740 371 R HA 0.598 4.940 4.340 0.002 0.000 0.282 371 R C -0.422 175.686 176.300 -0.320 0.000 0.969 371 R CA -0.835 54.982 56.100 -0.473 0.000 0.918 371 R CB 1.809 31.628 30.300 -0.802 0.000 1.175 371 R HN 0.686 nan 8.270 nan 0.000 0.464 372 T N -1.777 112.665 114.554 -0.186 0.000 2.945 372 T HA 0.398 4.749 4.350 0.002 0.000 0.286 372 T C -0.172 174.486 174.700 -0.069 0.000 1.025 372 T CA -1.020 61.025 62.100 -0.093 0.000 1.039 372 T CB 1.798 70.654 68.868 -0.020 0.000 1.068 372 T HN 0.655 nan 8.240 nan 0.000 0.497 373 E N 0.553 120.739 120.200 -0.024 0.000 2.207 373 E HA 0.599 4.950 4.350 0.002 0.000 0.270 373 E C -1.327 175.269 176.600 -0.007 0.000 0.927 373 E CA -1.206 55.199 56.400 0.009 0.000 0.799 373 E CB 1.844 31.575 29.700 0.052 0.000 1.172 373 E HN 0.390 nan 8.360 nan 0.000 0.404 374 V N 3.170 123.081 119.914 -0.006 0.000 2.370 374 V HA 0.248 4.369 4.120 0.002 0.000 0.279 374 V C -0.277 175.947 176.094 0.217 0.000 1.029 374 V CA -0.862 61.372 62.300 -0.111 0.000 0.870 374 V CB 0.856 32.588 31.823 -0.151 0.000 0.984 374 V HN 0.659 nan 8.190 nan 0.000 0.451 375 N N 3.388 122.139 118.700 0.085 0.000 2.430 375 N HA 0.556 5.297 4.740 0.002 0.000 0.298 375 N C -0.955 174.406 175.510 -0.249 0.000 1.130 375 N CA -0.605 52.496 53.050 0.085 0.000 0.894 375 N CB 2.610 41.108 38.487 0.018 0.000 1.209 375 N HN 0.461 nan 8.380 nan 0.000 0.503 376 L N 2.296 123.097 121.223 -0.702 0.000 2.272 376 L HA 0.474 4.815 4.340 0.002 0.000 0.289 376 L C -0.955 175.575 176.870 -0.567 0.000 1.032 376 L CA -0.404 53.884 54.840 -0.920 0.000 0.810 376 L CB 0.502 41.637 42.059 -1.540 0.000 1.205 376 L HN 0.365 nan 8.230 nan 0.000 0.422 377 I N 6.400 126.541 120.570 -0.715 0.000 2.362 377 I HA 0.334 4.505 4.170 0.002 0.000 0.289 377 I C -0.426 175.254 176.117 -0.729 0.000 0.994 377 I CA -0.649 60.210 61.300 -0.736 0.000 1.158 377 I CB 1.622 38.973 38.000 -1.082 0.000 1.315 377 I HN 0.167 nan 8.210 nan 0.000 0.451 378 V N 7.505 127.223 119.914 -0.325 0.000 2.311 378 V HA 0.452 4.573 4.120 0.002 0.000 0.275 378 V C 0.304 176.387 176.094 -0.019 0.000 1.022 378 V CA -0.609 61.600 62.300 -0.152 0.000 0.830 378 V CB 1.562 33.398 31.823 0.022 0.000 1.012 378 V HN 0.730 nan 8.190 nan 0.000 0.452 379 R N 3.079 123.577 120.500 -0.003 0.000 2.803 379 R HA 0.799 5.140 4.340 0.002 0.000 0.276 379 R C -0.906 175.472 176.300 0.131 0.000 0.978 379 R CA -0.284 55.875 56.100 0.099 0.000 0.939 379 R CB 2.265 32.667 30.300 0.171 0.000 1.179 379 R HN 0.636 nan 8.270 nan 0.000 0.472 380 T N 3.568 118.212 114.554 0.149 0.000 2.932 380 T HA 0.493 4.844 4.350 0.002 0.000 0.318 380 T C -1.288 173.479 174.700 0.112 0.000 1.265 380 T CA -0.568 61.620 62.100 0.148 0.000 1.036 380 T CB 0.923 69.915 68.868 0.207 0.000 1.209 380 T HN 0.472 nan 8.240 nan 0.000 0.484 381 I N 3.520 124.136 120.570 0.076 0.000 2.465 381 I HA 0.548 4.719 4.170 0.002 0.000 0.291 381 I C -0.651 175.452 176.117 -0.023 0.000 1.014 381 I CA -1.126 60.188 61.300 0.023 0.000 1.093 381 I CB 2.185 40.196 38.000 0.018 0.000 1.267 381 I HN 0.274 nan 8.210 nan 0.000 0.431 382 V N 4.837 124.684 119.914 -0.112 0.000 2.357 382 V HA 0.333 4.454 4.120 0.002 0.000 0.284 382 V C -0.030 175.953 176.094 -0.185 0.000 1.018 382 V CA -0.366 61.794 62.300 -0.234 0.000 0.841 382 V CB 1.584 33.006 31.823 -0.668 0.000 0.991 382 V HN 0.733 nan 8.190 nan 0.000 0.437 383 T N 4.686 119.169 114.554 -0.119 0.000 2.756 383 T HA 0.446 4.798 4.350 0.002 0.000 0.290 383 T C -0.147 174.499 174.700 -0.089 0.000 0.985 383 T CA -0.321 61.724 62.100 -0.092 0.000 0.955 383 T CB 1.374 70.203 68.868 -0.064 0.000 0.930 383 T HN 0.309 nan 8.240 nan 0.000 0.451 384 V N 4.178 124.034 119.914 -0.096 0.000 2.239 384 V HA 0.624 4.745 4.120 0.002 0.000 0.267 384 V C 1.115 177.118 176.094 -0.151 0.000 1.056 384 V CA 0.304 62.536 62.300 -0.114 0.000 0.830 384 V CB -0.245 31.531 31.823 -0.077 0.000 1.090 384 V HN 1.255 nan 8.190 nan 0.000 0.459 385 G N 5.301 114.022 108.800 -0.131 0.000 2.588 385 G HA2 -0.260 3.701 3.960 0.002 0.000 0.273 385 G HA3 -0.260 3.701 3.960 0.002 0.000 0.273 385 G C 0.174 174.828 174.900 -0.410 0.000 1.211 385 G CA 0.234 45.238 45.100 -0.161 0.000 0.958 385 G HN 0.831 nan 8.290 nan 0.000 0.543 389 N N 1.123 119.817 118.700 -0.009 0.000 2.479 389 N HA 0.373 5.114 4.740 0.002 0.000 0.261 389 N C -0.956 174.559 175.510 0.008 0.000 0.979 389 N CA -0.523 52.550 53.050 0.039 0.000 0.930 389 N CB 2.354 40.920 38.487 0.131 0.000 1.172 389 N HN 0.092 nan 8.380 nan 0.000 0.499 390 V N 3.737 123.650 119.914 -0.002 0.000 2.385 390 V HA 0.323 4.444 4.120 0.002 0.000 0.269 390 V C 0.346 176.441 176.094 0.003 0.000 1.043 390 V CA -0.365 61.938 62.300 0.005 0.000 0.906 390 V CB 0.821 32.642 31.823 -0.004 0.000 0.995 390 V HN 0.491 nan 8.190 nan 0.000 0.467 391 I N 4.376 124.973 120.570 0.045 0.000 2.354 391 I HA 0.503 4.675 4.170 0.002 0.000 0.286 391 I C -0.583 175.572 176.117 0.063 0.000 1.007 391 I CA -0.309 61.030 61.300 0.064 0.000 1.167 391 I CB 1.446 39.559 38.000 0.189 0.000 1.320 391 I HN 0.527 nan 8.210 nan 0.000 0.458 392 D N 5.376 125.737 120.400 -0.065 0.000 2.350 392 D HA 0.419 5.060 4.640 0.002 0.000 0.245 392 D C -1.137 175.018 176.300 -0.241 0.000 1.036 392 D CA -0.037 53.917 54.000 -0.077 0.000 0.848 392 D CB 1.935 42.663 40.800 -0.120 0.000 1.307 392 D HN 0.225 nan 8.370 nan 0.000 0.469 393 W N 1.261 122.449 121.300 -0.186 0.000 2.411 393 W HA 0.299 4.960 4.660 0.002 0.000 0.317 393 W C 0.316 176.597 176.519 -0.397 0.000 1.030 393 W CA -0.789 56.364 57.345 -0.320 0.000 1.239 393 W CB 1.149 30.461 29.460 -0.246 0.000 1.304 393 W HN 0.225 nan 8.180 nan 0.000 0.437 394 E N 3.202 123.173 120.200 -0.382 0.000 2.151 394 E HA 0.495 4.846 4.350 0.002 0.000 0.275 394 E C -1.421 174.859 176.600 -0.534 0.000 0.936 394 E CA -0.587 55.600 56.400 -0.354 0.000 0.777 394 E CB 0.860 30.392 29.700 -0.281 0.000 1.108 394 E HN 0.206 nan 8.360 nan 0.000 0.401 395 F N 3.047 122.777 119.950 -0.368 0.000 2.450 395 F HA 0.463 4.991 4.527 0.002 0.000 0.332 395 F C 0.193 176.022 175.800 0.048 0.000 1.093 395 F CA -0.681 57.112 58.000 -0.345 0.000 1.003 395 F CB 1.722 40.291 39.000 -0.718 0.000 1.151 395 F HN 0.268 nan 8.300 nan 0.000 0.474 396 K N 0.988 121.688 120.400 0.500 0.000 2.318 396 K HA 0.642 4.963 4.320 0.002 0.000 0.249 396 K C 0.371 177.436 176.600 0.775 0.000 0.942 396 K CA -0.812 55.833 56.287 0.597 0.000 0.808 396 K CB 2.026 34.724 32.500 0.330 0.000 1.189 396 K HN 0.628 nan 8.250 nan 0.000 0.428 397 A N 0.982 124.116 122.820 0.524 0.000 2.076 397 A HA -0.163 4.158 4.320 0.002 0.000 0.220 397 A C 1.828 179.498 177.584 0.143 0.000 1.160 397 A CA 2.117 54.298 52.037 0.240 0.000 0.653 397 A CB -0.707 18.313 19.000 0.033 0.000 0.801 397 A HN 0.748 nan 8.150 nan 0.000 0.455 398 S N -1.909 113.899 115.700 0.180 0.000 2.603 398 S HA 0.320 4.792 4.470 0.002 0.000 0.229 398 S C 1.458 176.132 174.600 0.124 0.000 0.972 398 S CA 1.110 59.358 58.200 0.080 0.000 0.935 398 S CB -0.448 62.817 63.200 0.109 0.000 0.769 398 S HN 1.922 nan 8.310 nan 0.000 0.536 399 G N 0.089 109.097 108.800 0.347 0.000 2.175 399 G HA2 -0.228 3.734 3.960 0.002 0.000 0.244 399 G HA3 -0.228 3.734 3.960 0.002 0.000 0.244 399 G C 0.103 175.389 174.900 0.644 0.000 0.982 399 G CA 0.082 45.510 45.100 0.546 0.000 0.641 399 G HN 0.608 nan 8.290 nan 0.000 0.527 400 S N -0.046 115.916 115.700 0.437 0.000 2.537 400 S HA 0.688 5.159 4.470 0.002 0.000 0.275 400 S C 0.324 175.042 174.600 0.197 0.000 1.272 400 S CA -0.154 58.222 58.200 0.293 0.000 1.050 400 S CB 0.933 64.219 63.200 0.143 0.000 0.961 400 S HN 0.382 nan 8.310 nan 0.000 0.496 401 I N 3.467 124.069 120.570 0.054 0.000 2.404 401 I HA 0.385 4.556 4.170 0.002 0.000 0.293 401 I C -0.285 175.616 176.117 -0.360 0.000 0.992 401 I CA -0.393 60.712 61.300 -0.324 0.000 1.149 401 I CB 1.535 39.263 38.000 -0.453 0.000 1.315 401 I HN 0.374 nan 8.210 nan 0.000 0.446 402 K N 7.051 127.165 120.400 -0.476 0.000 2.572 402 K HA 0.427 4.748 4.320 0.002 0.000 0.244 402 K C -2.694 173.461 176.600 -0.741 0.000 0.965 402 K CA -1.623 54.341 56.287 -0.538 0.000 0.943 402 K CB 1.517 33.811 32.500 -0.343 0.000 1.154 402 K HN 0.158 nan 8.250 nan 0.000 0.447 403 P HA 0.091 nan 4.420 nan 0.000 0.286 403 P C -0.873 175.874 177.300 -0.922 0.000 1.269 403 P CA -0.378 61.928 63.100 -1.325 0.000 0.787 403 P CB 1.316 31.841 31.700 -1.958 0.000 0.920 404 S N 2.582 117.932 115.700 -0.583 0.000 2.599 404 S HA 0.780 5.251 4.470 0.002 0.000 0.287 404 S C -0.790 173.668 174.600 -0.236 0.000 1.105 404 S CA -0.832 57.156 58.200 -0.354 0.000 0.899 404 S CB 0.980 64.024 63.200 -0.261 0.000 1.100 404 S HN 0.172 nan 8.310 nan 0.000 0.482 405 I N 1.314 121.766 120.570 -0.198 0.000 2.465 405 I HA 0.709 4.880 4.170 0.002 0.000 0.291 405 I C -0.072 175.945 176.117 -0.167 0.000 1.014 405 I CA -0.745 60.428 61.300 -0.212 0.000 1.093 405 I CB 1.900 39.639 38.000 -0.436 0.000 1.267 405 I HN 0.945 nan 8.210 nan 0.000 0.431 406 A N 7.045 129.796 122.820 -0.115 0.000 2.355 406 A HA 0.903 5.224 4.320 0.002 0.000 0.324 406 A C -0.982 176.552 177.584 -0.082 0.000 1.117 406 A CA -0.564 51.414 52.037 -0.099 0.000 0.785 406 A CB 1.146 20.102 19.000 -0.073 0.000 1.254 406 A HN 0.673 nan 8.150 nan 0.000 0.453 407 L N 1.553 122.713 121.223 -0.105 0.000 2.317 407 L HA 0.706 5.047 4.340 0.002 0.000 0.281 407 L C 0.530 177.347 176.870 -0.090 0.000 1.024 407 L CA -0.194 54.584 54.840 -0.104 0.000 0.810 407 L CB 1.763 43.696 42.059 -0.210 0.000 1.240 407 L HN 0.829 nan 8.230 nan 0.000 0.427 408 S N 1.057 116.717 115.700 -0.066 0.000 3.341 408 S HA 0.935 5.407 4.470 0.002 0.000 0.326 408 S C -0.276 174.281 174.600 -0.073 0.000 1.178 408 S CA 0.228 58.387 58.200 -0.068 0.000 1.002 408 S CB 1.217 64.375 63.200 -0.070 0.000 1.385 408 S HN 1.143 nan 8.310 nan 0.000 0.710 409 G N 0.397 109.128 108.800 -0.115 0.000 2.587 409 G HA2 -0.049 3.912 3.960 0.002 0.000 0.212 409 G HA3 -0.049 3.912 3.960 0.002 0.000 0.212 409 G C -1.249 173.562 174.900 -0.147 0.000 1.327 409 G CA -0.196 44.811 45.100 -0.155 0.000 0.898 409 G HN 0.947 nan 8.290 nan 0.000 0.551 410 I N 0.392 120.861 120.570 -0.169 0.000 2.562 410 I HA 0.514 4.685 4.170 0.002 0.000 0.301 410 I C 0.826 176.901 176.117 -0.070 0.000 1.003 410 I CA -0.801 60.425 61.300 -0.124 0.000 1.127 410 I CB 1.719 39.653 38.000 -0.110 0.000 1.304 410 I HN 0.566 nan 8.210 nan 0.000 0.446 411 L N 3.517 124.756 121.223 0.025 0.000 2.439 411 L HA 0.143 4.484 4.340 0.002 0.000 0.269 411 L C 0.458 177.350 176.870 0.037 0.000 1.179 411 L CA -0.114 54.761 54.840 0.057 0.000 0.828 411 L CB 0.434 42.578 42.059 0.141 0.000 1.106 411 L HN 0.577 nan 8.230 nan 0.000 0.467 412 E N 3.405 123.592 120.200 -0.022 0.000 2.029 412 E HA 0.158 4.509 4.350 0.002 0.000 0.276 412 E C -0.637 176.011 176.600 0.079 0.000 1.163 412 E CA -0.309 56.095 56.400 0.008 0.000 0.909 412 E CB 0.168 29.752 29.700 -0.193 0.000 1.046 412 E HN 0.175 nan 8.360 nan 0.000 0.406 413 I N 3.999 124.689 120.570 0.201 0.000 2.472 413 I HA 0.207 4.378 4.170 0.002 0.000 0.290 413 I C 0.444 176.722 176.117 0.268 0.000 1.016 413 I CA -0.341 61.080 61.300 0.202 0.000 1.348 413 I CB 1.136 39.287 38.000 0.253 0.000 1.417 413 I HN 0.525 nan 8.210 nan 0.000 0.521 414 K N 3.689 124.216 120.400 0.211 0.000 2.235 414 K HA 0.557 4.878 4.320 0.002 0.000 0.266 414 K C 0.043 176.741 176.600 0.164 0.000 0.980 414 K CA -0.491 55.963 56.287 0.278 0.000 0.849 414 K CB 1.351 34.043 32.500 0.320 0.000 1.098 414 K HN 0.830 nan 8.250 nan 0.000 0.445 415 G N 1.454 110.340 108.800 0.144 0.000 2.483 415 G HA2 0.317 4.278 3.960 0.002 0.000 0.248 415 G HA3 0.317 4.278 3.960 0.002 0.000 0.248 415 G C -0.686 174.251 174.900 0.061 0.000 1.248 415 G CA -0.081 45.073 45.100 0.091 0.000 0.838 415 G HN 0.551 nan 8.290 nan 0.000 0.566 416 T N -0.416 114.157 114.554 0.032 0.000 2.840 416 T HA 0.290 4.641 4.350 0.002 0.000 0.317 416 T C 0.339 175.038 174.700 -0.003 0.000 1.401 416 T CA -0.786 61.323 62.100 0.015 0.000 1.028 416 T CB 1.439 70.310 68.868 0.006 0.000 1.317 416 T HN 0.291 nan 8.240 nan 0.000 0.495 417 N N 1.298 119.994 118.700 -0.007 0.000 2.373 417 N HA 0.223 4.964 4.740 0.002 0.000 0.181 417 N C 0.529 176.019 175.510 -0.033 0.000 1.082 417 N CA 0.145 53.186 53.050 -0.015 0.000 0.885 417 N CB -0.021 38.463 38.487 -0.006 0.000 0.977 417 N HN 0.618 nan 8.380 nan 0.000 0.462 418 I N 1.371 121.919 120.570 -0.036 0.000 2.683 418 I HA -0.069 4.102 4.170 0.002 0.000 0.286 418 I C 1.280 177.328 176.117 -0.115 0.000 1.175 418 I CA 0.588 61.855 61.300 -0.056 0.000 1.429 418 I CB 0.692 38.668 38.000 -0.040 0.000 1.371 418 I HN -0.125 nan 8.210 nan 0.000 0.569 419 K N 4.204 124.485 120.400 -0.198 0.000 2.412 419 K HA 0.236 4.557 4.320 0.002 0.000 0.202 419 K C -0.480 175.710 176.600 -0.683 0.000 1.102 419 K CA -0.029 56.011 56.287 -0.412 0.000 1.027 419 K CB 0.556 32.748 32.500 -0.514 0.000 0.931 419 K HN 0.617 nan 8.250 nan 0.000 0.557 420 H N -0.827 118.231 119.070 -0.020 0.000 2.996 420 H HA 0.171 4.728 4.556 0.002 0.000 0.368 420 H C -0.044 175.273 175.328 -0.019 0.000 1.185 420 H CA -0.731 55.305 56.048 -0.020 0.000 1.160 420 H CB 2.185 31.939 29.762 -0.014 0.000 1.820 420 H HN -0.232 nan 8.280 nan 0.000 0.547 421 K N 0.945 121.417 120.400 0.120 0.000 2.211 421 K HA -0.205 4.117 4.320 0.002 0.000 0.204 421 K C 0.632 177.261 176.600 0.050 0.000 1.047 421 K CA 1.595 57.916 56.287 0.055 0.000 0.935 421 K CB 0.099 32.624 32.500 0.042 0.000 0.728 421 K HN 0.545 nan 8.250 nan 0.000 0.452 422 D N 1.159 121.601 120.400 0.071 0.000 2.116 422 D HA -0.177 4.464 4.640 0.002 0.000 0.193 422 D C 1.487 177.810 176.300 0.038 0.000 0.998 422 D CA 1.420 55.445 54.000 0.043 0.000 0.836 422 D CB -0.036 40.788 40.800 0.039 0.000 0.951 422 D HN 0.430 nan 8.370 nan 0.000 0.449 423 E N 0.122 120.357 120.200 0.058 0.000 2.268 423 E HA -0.029 4.322 4.350 0.002 0.000 0.195 423 E C 0.711 177.321 176.600 0.016 0.000 0.995 423 E CA -0.027 56.396 56.400 0.038 0.000 0.836 423 E CB 0.137 29.864 29.700 0.044 0.000 0.763 423 E HN 0.341 nan 8.360 nan 0.000 0.491 424 I N 1.669 122.246 120.570 0.011 0.000 2.752 424 I HA -0.125 4.047 4.170 0.002 0.000 0.289 424 I C 1.070 177.184 176.117 -0.006 0.000 1.197 424 I CA 0.864 62.162 61.300 -0.005 0.000 1.432 424 I CB 0.451 38.445 38.000 -0.011 0.000 1.359 424 I HN -0.047 nan 8.210 nan 0.000 0.571 425 K N 3.917 124.310 120.400 -0.012 0.000 2.521 425 K HA 0.159 4.480 4.320 0.002 0.000 0.213 425 K C -0.408 176.182 176.600 -0.017 0.000 1.223 425 K CA -0.040 56.241 56.287 -0.010 0.000 1.013 425 K CB 0.738 33.236 32.500 -0.004 0.000 1.017 425 K HN 0.746 nan 8.250 nan 0.000 0.591 426 E N -0.540 119.642 120.200 -0.030 0.000 2.456 426 E HA 0.191 4.542 4.350 0.002 0.000 0.276 426 E C -1.422 175.123 176.600 -0.092 0.000 0.981 426 E CA -1.001 55.371 56.400 -0.047 0.000 0.814 426 E CB 0.799 30.477 29.700 -0.036 0.000 1.382 426 E HN -0.216 nan 8.360 nan 0.000 0.459 427 D N 1.101 121.417 120.400 -0.139 0.000 2.412 427 D HA 0.019 4.660 4.640 0.002 0.000 0.257 427 D C 0.428 176.472 176.300 -0.426 0.000 1.217 427 D CA 0.208 54.054 54.000 -0.256 0.000 0.897 427 D CB 0.599 41.219 40.800 -0.299 0.000 1.132 427 D HN 0.487 nan 8.370 nan 0.000 0.493 428 L N 4.129 125.171 121.223 -0.301 0.000 2.611 428 L HA 0.070 4.411 4.340 0.002 0.000 0.229 428 L C 0.625 177.351 176.870 -0.240 0.000 1.137 428 L CA -0.311 54.390 54.840 -0.232 0.000 0.901 428 L CB -0.375 41.607 42.059 -0.128 0.000 1.098 428 L HN 0.533 nan 8.230 nan 0.000 0.456 429 H N -0.860 118.126 119.070 -0.139 0.000 2.861 429 H HA -0.145 4.413 4.556 0.002 0.000 0.289 429 H C 0.661 175.494 175.328 -0.825 0.000 1.176 429 H CA 0.718 56.608 56.048 -0.264 0.000 1.146 429 H CB -1.575 28.130 29.762 -0.094 0.000 1.330 429 H HN 0.581 nan 8.280 nan 0.000 0.379 430 G N -1.187 107.068 108.800 -0.909 0.000 2.427 430 G HA2 0.441 4.402 3.960 0.002 0.000 0.306 430 G HA3 0.441 4.402 3.960 0.002 0.000 0.306 430 G C -1.419 173.199 174.900 -0.471 0.000 1.280 430 G CA -0.933 43.531 45.100 -1.061 0.000 0.837 430 G HN 0.016 nan 8.290 nan 0.000 0.482 431 K N -0.225 120.045 120.400 -0.217 0.000 2.259 431 K HA 0.528 4.849 4.320 0.002 0.000 0.249 431 K C -1.068 175.488 176.600 -0.074 0.000 0.942 431 K CA -0.958 55.291 56.287 -0.063 0.000 0.816 431 K CB 2.652 35.169 32.500 0.028 0.000 1.155 431 K HN 0.351 nan 8.250 nan 0.000 0.428 432 L N 3.536 124.723 121.223 -0.060 0.000 2.485 432 L HA 0.007 4.348 4.340 0.002 0.000 0.279 432 L C 0.825 177.635 176.870 -0.099 0.000 1.124 432 L CA 0.341 55.133 54.840 -0.081 0.000 0.888 432 L CB 0.236 42.257 42.059 -0.064 0.000 1.217 432 L HN 0.509 nan 8.230 nan 0.000 0.464 433 V N 1.001 120.823 119.914 -0.155 0.000 3.621 433 V HA 0.470 4.591 4.120 0.002 0.000 0.285 433 V C 0.616 176.467 176.094 -0.405 0.000 1.346 433 V CA 0.538 62.719 62.300 -0.199 0.000 1.104 433 V CB -0.145 31.593 31.823 -0.141 0.000 0.913 433 V HN 0.721 nan 8.190 nan 0.000 0.432 434 S N -0.603 114.857 115.700 -0.401 0.000 2.611 434 S HA 0.713 5.185 4.470 0.002 0.000 0.270 434 S C -0.408 174.038 174.600 -0.258 0.000 1.131 434 S CA -0.066 57.868 58.200 -0.443 0.000 0.826 434 S CB 1.310 63.969 63.200 -0.902 0.000 1.095 434 S HN 1.345 nan 8.310 nan 0.000 0.461 435 A N 2.224 124.930 122.820 -0.189 0.000 2.540 435 A HA 0.430 4.751 4.320 0.002 0.000 0.239 435 A C 0.794 178.306 177.584 -0.120 0.000 1.061 435 A CA 1.046 52.986 52.037 -0.163 0.000 0.758 435 A CB -1.077 17.838 19.000 -0.142 0.000 0.991 435 A HN 1.297 nan 8.150 nan 0.000 0.502 436 N N -0.387 118.250 118.700 -0.104 0.000 2.815 436 N HA -0.169 4.572 4.740 0.002 0.000 0.247 436 N C -0.466 175.024 175.510 -0.032 0.000 1.030 436 N CA 1.227 54.245 53.050 -0.053 0.000 0.881 436 N CB -1.068 37.406 38.487 -0.021 0.000 1.134 436 N HN 0.532 nan 8.380 nan 0.000 0.582 437 S N 0.407 116.063 115.700 -0.073 0.000 2.552 437 S HA 0.608 5.079 4.470 0.002 0.000 0.314 437 S C -0.291 174.269 174.600 -0.066 0.000 1.099 437 S CA -0.654 57.517 58.200 -0.049 0.000 1.070 437 S CB 1.706 64.834 63.200 -0.119 0.000 0.998 437 S HN 0.172 nan 8.310 nan 0.000 0.474 438 I N 2.368 122.926 120.570 -0.020 0.000 2.378 438 I HA 0.451 4.623 4.170 0.002 0.000 0.291 438 I C 0.726 176.818 176.117 -0.041 0.000 0.992 438 I CA -0.639 60.632 61.300 -0.048 0.000 1.154 438 I CB 1.585 39.560 38.000 -0.041 0.000 1.315 438 I HN 0.734 nan 8.210 nan 0.000 0.448 439 G N 7.515 116.276 108.800 -0.066 0.000 2.350 439 G HA2 0.454 4.415 3.960 0.002 0.000 0.306 439 G HA3 0.454 4.415 3.960 0.002 0.000 0.306 439 G C -0.100 174.712 174.900 -0.146 0.000 1.094 439 G CA -0.414 44.652 45.100 -0.056 0.000 0.953 439 G HN 0.349 nan 8.290 nan 0.000 0.420 440 I N 2.533 123.010 120.570 -0.154 0.000 2.529 440 I HA 0.107 4.278 4.170 0.002 0.000 0.284 440 I C 0.207 176.274 176.117 -0.083 0.000 1.082 440 I CA -1.091 60.076 61.300 -0.222 0.000 1.406 440 I CB 0.222 38.065 38.000 -0.262 0.000 1.405 440 I HN 0.360 nan 8.210 nan 0.000 0.548 441 Y N 5.973 126.258 120.300 -0.025 0.000 2.578 441 Y HA 0.246 4.797 4.550 0.002 0.000 0.339 441 Y C 1.039 176.851 175.900 -0.146 0.000 1.231 441 Y CA 0.181 58.232 58.100 -0.082 0.000 1.461 441 Y CB -0.002 38.410 38.460 -0.081 0.000 1.323 441 Y HN 0.590 nan 8.280 nan 0.000 0.590 442 H N -1.305 117.603 119.070 -0.270 0.000 2.904 442 H HA 0.423 4.980 4.556 0.002 0.000 0.290 442 H C -1.927 173.209 175.328 -0.320 0.000 1.437 442 H CA -1.053 54.675 56.048 -0.533 0.000 1.147 442 H CB 1.045 29.964 29.762 -1.405 0.000 1.824 442 H HN 0.494 nan 8.280 nan 0.000 0.505 443 D N 0.216 120.421 120.400 -0.325 0.000 2.374 443 D HA 0.355 4.996 4.640 0.002 0.000 0.239 443 D C -0.368 175.705 176.300 -0.378 0.000 0.991 443 D CA -0.370 53.452 54.000 -0.297 0.000 0.960 443 D CB 1.860 42.583 40.800 -0.130 0.000 1.284 443 D HN 0.446 nan 8.370 nan 0.000 0.512 444 H N 0.654 119.490 119.070 -0.391 0.000 2.823 444 H HA 0.330 4.888 4.556 0.002 0.000 0.332 444 H C -0.896 174.203 175.328 -0.381 0.000 0.980 444 H CA -0.416 55.462 56.048 -0.283 0.000 1.286 444 H CB 0.871 30.560 29.762 -0.122 0.000 1.541 444 H HN 0.151 nan 8.280 nan 0.000 0.521 445 F N 2.419 122.298 119.950 -0.118 0.000 2.520 445 F HA 0.364 4.892 4.527 0.002 0.000 0.322 445 F C -0.585 175.177 175.800 -0.064 0.000 1.103 445 F CA -0.781 57.231 58.000 0.021 0.000 0.926 445 F CB 1.335 40.403 39.000 0.113 0.000 1.154 445 F HN 0.378 nan 8.300 nan 0.000 0.453 446 Y N 2.938 123.435 120.300 0.328 0.000 2.485 446 Y HA 0.661 5.212 4.550 0.002 0.000 0.345 446 Y C -0.542 175.488 175.900 0.216 0.000 0.998 446 Y CA -1.419 56.807 58.100 0.211 0.000 1.059 446 Y CB 2.022 40.542 38.460 0.100 0.000 1.234 446 Y HN 0.477 nan 8.280 nan 0.000 0.461 447 I N 2.714 123.442 120.570 0.264 0.000 2.439 447 I HA 0.402 4.573 4.170 0.002 0.000 0.283 447 I C -1.688 174.508 176.117 0.132 0.000 1.023 447 I CA -0.664 60.784 61.300 0.246 0.000 1.100 447 I CB 0.620 38.729 38.000 0.180 0.000 1.238 447 I HN 0.540 nan 8.210 nan 0.000 0.445 448 Y N 6.529 126.932 120.300 0.172 0.000 2.299 448 Y HA 0.232 4.783 4.550 0.002 0.000 0.326 448 Y C -0.539 175.338 175.900 -0.039 0.000 1.164 448 Y CA 0.169 58.337 58.100 0.113 0.000 1.234 448 Y CB 0.964 39.538 38.460 0.190 0.000 1.219 448 Y HN 0.477 nan 8.280 nan 0.000 0.497 449 Y N 4.248 124.338 120.300 -0.350 0.000 2.335 449 Y HA 0.583 5.134 4.550 0.002 0.000 0.339 449 Y C -1.436 174.152 175.900 -0.519 0.000 0.987 449 Y CA -1.059 56.541 58.100 -0.835 0.000 1.140 449 Y CB 0.491 38.114 38.460 -1.394 0.000 1.173 449 Y HN 0.504 nan 8.280 nan 0.000 0.486 450 L N 6.833 127.586 121.223 -0.784 0.000 2.401 450 L HA 0.271 4.612 4.340 0.002 0.000 0.263 450 L C -0.910 175.512 176.870 -0.747 0.000 1.004 450 L CA -0.624 53.845 54.840 -0.618 0.000 0.881 450 L CB 1.111 42.849 42.059 -0.535 0.000 1.219 450 L HN 0.585 nan 8.230 nan 0.000 0.441 451 D N 2.969 123.028 120.400 -0.567 0.000 2.483 451 D HA 0.150 4.791 4.640 0.002 0.000 0.220 451 D C -0.373 175.837 176.300 -0.150 0.000 1.173 451 D CA -0.267 53.554 54.000 -0.299 0.000 0.964 451 D CB 0.184 40.989 40.800 0.009 0.000 1.046 451 D HN -0.010 nan 8.370 nan 0.000 0.517 452 F N 1.978 121.888 119.950 -0.066 0.000 2.541 452 F HA 0.157 4.685 4.527 0.002 0.000 0.378 452 F C 0.777 176.574 175.800 -0.005 0.000 1.068 452 F CA 0.020 58.003 58.000 -0.029 0.000 1.199 452 F CB 0.733 39.718 39.000 -0.025 0.000 1.091 452 F HN 0.167 nan 8.300 nan 0.000 0.555 453 D N 4.713 125.249 120.400 0.227 0.000 2.432 453 D HA 0.206 4.847 4.640 0.002 0.000 0.265 453 D C -0.182 176.225 176.300 0.178 0.000 1.160 453 D CA -0.271 53.816 54.000 0.145 0.000 0.911 453 D CB 0.611 41.465 40.800 0.090 0.000 1.052 453 D HN 0.095 nan 8.370 nan 0.000 0.508 454 I N 2.072 122.752 120.570 0.183 0.000 2.574 454 I HA -0.024 4.147 4.170 0.002 0.000 0.291 454 I C 1.033 177.286 176.117 0.226 0.000 1.131 454 I CA 0.328 61.764 61.300 0.227 0.000 1.352 454 I CB -0.528 37.599 38.000 0.211 0.000 1.431 454 I HN 0.364 nan 8.210 nan 0.000 0.543 455 D N 5.014 125.575 120.400 0.269 0.000 2.811 455 D HA -0.167 4.474 4.640 0.002 0.000 0.231 455 D C 0.598 176.962 176.300 0.107 0.000 1.157 455 D CA 1.600 55.692 54.000 0.154 0.000 0.716 455 D CB -0.585 40.234 40.800 0.033 0.000 1.077 455 D HN 1.103 nan 8.370 nan 0.000 0.428 456 G N -2.688 106.183 108.800 0.119 0.000 2.343 456 G HA2 0.062 4.023 3.960 0.002 0.000 0.465 456 G HA3 0.062 4.023 3.960 0.002 0.000 0.465 456 G C 0.802 175.740 174.900 0.064 0.000 1.282 456 G CA 0.603 45.757 45.100 0.090 0.000 0.996 456 G HN 0.392 nan 8.290 nan 0.000 0.521 457 T N -2.974 111.586 114.554 0.009 0.000 3.009 457 T HA 0.144 4.495 4.350 0.002 0.000 0.258 457 T C 0.892 175.482 174.700 -0.184 0.000 1.063 457 T CA 1.290 63.312 62.100 -0.129 0.000 1.139 457 T CB -0.150 68.556 68.868 -0.270 0.000 0.890 457 T HN 0.627 nan 8.240 nan 0.000 0.471 458 H N 2.688 121.768 119.070 0.016 0.000 3.015 458 H HA 0.416 4.973 4.556 0.002 0.000 0.268 458 H C -0.336 175.020 175.328 0.046 0.000 1.113 458 H CA 0.063 56.128 56.048 0.029 0.000 1.479 458 H CB -0.115 29.661 29.762 0.022 0.000 1.493 458 H HN 0.547 nan 8.280 nan 0.000 0.486 459 N N 0.997 119.758 118.700 0.102 0.000 2.405 459 N HA 0.397 5.138 4.740 0.002 0.000 0.285 459 N C -0.830 174.750 175.510 0.117 0.000 1.262 459 N CA -0.692 52.423 53.050 0.109 0.000 0.773 459 N CB 2.031 40.580 38.487 0.104 0.000 1.490 459 N HN 0.305 nan 8.380 nan 0.000 0.486 460 S N 0.101 115.874 115.700 0.122 0.000 2.667 460 S HA 0.539 5.010 4.470 0.002 0.000 0.292 460 S C -1.625 173.095 174.600 0.200 0.000 1.126 460 S CA -0.624 57.660 58.200 0.140 0.000 0.881 460 S CB 1.564 64.824 63.200 0.100 0.000 1.132 460 S HN 0.474 nan 8.310 nan 0.000 0.492 461 F N 1.726 121.696 119.950 0.034 0.000 2.477 461 F HA 0.545 5.073 4.527 0.002 0.000 0.335 461 F C -0.472 175.337 175.800 0.015 0.000 1.130 461 F CA -0.508 57.506 58.000 0.024 0.000 0.948 461 F CB 0.993 40.018 39.000 0.042 0.000 1.154 461 F HN 0.560 nan 8.300 nan 0.000 0.439 462 E N 4.994 124.848 120.200 -0.576 0.000 2.199 462 E HA 0.280 4.631 4.350 0.002 0.000 0.269 462 E C -1.170 175.015 176.600 -0.691 0.000 0.899 462 E CA -1.136 54.982 56.400 -0.470 0.000 0.772 462 E CB 2.052 31.612 29.700 -0.232 0.000 1.155 462 E HN 0.375 nan 8.360 nan 0.000 0.408 463 K N 2.358 122.486 120.400 -0.454 0.000 2.367 463 K HA 0.244 4.565 4.320 0.002 0.000 0.263 463 K C -1.143 175.350 176.600 -0.178 0.000 1.000 463 K CA -0.320 55.771 56.287 -0.327 0.000 0.891 463 K CB 1.137 33.507 32.500 -0.216 0.000 1.117 463 K HN 0.420 nan 8.250 nan 0.000 0.443 464 T N 3.074 117.536 114.554 -0.153 0.000 2.891 464 T HA 0.134 4.485 4.350 0.002 0.000 0.315 464 T C -0.117 174.538 174.700 -0.076 0.000 1.054 464 T CA -0.384 61.662 62.100 -0.090 0.000 0.958 464 T CB 0.301 69.127 68.868 -0.069 0.000 1.008 464 T HN 0.521 nan 8.240 nan 0.000 0.521 465 S N 3.601 119.261 115.700 -0.066 0.000 2.586 465 S HA 0.571 5.042 4.470 0.002 0.000 0.274 465 S C 0.036 174.598 174.600 -0.062 0.000 1.281 465 S CA -1.130 57.026 58.200 -0.073 0.000 1.035 465 S CB 0.870 64.032 63.200 -0.063 0.000 0.962 465 S HN 0.527 nan 8.310 nan 0.000 0.512 466 L N 2.618 123.767 121.223 -0.124 0.000 2.255 466 L HA 0.433 4.774 4.340 0.002 0.000 0.289 466 L C 0.059 176.865 176.870 -0.107 0.000 1.046 466 L CA -0.607 54.132 54.840 -0.168 0.000 0.816 466 L CB 0.319 42.058 42.059 -0.534 0.000 1.197 466 L HN 0.508 nan 8.230 nan 0.000 0.427 467 K N 2.289 122.695 120.400 0.009 0.000 2.182 467 K HA 0.426 4.748 4.320 0.002 0.000 0.262 467 K C -0.162 176.458 176.600 0.034 0.000 0.957 467 K CA -0.627 55.659 56.287 -0.002 0.000 0.842 467 K CB 2.078 34.576 32.500 -0.004 0.000 1.099 467 K HN 0.362 nan 8.250 nan 0.000 0.438 468 T N 1.621 116.169 114.554 -0.010 0.000 2.832 468 T HA 0.235 4.586 4.350 0.002 0.000 0.296 468 T C 0.013 174.631 174.700 -0.135 0.000 0.968 468 T CA -0.385 61.701 62.100 -0.023 0.000 1.107 468 T CB 0.563 69.421 68.868 -0.016 0.000 0.916 468 T HN 0.141 nan 8.240 nan 0.000 0.517 469 V N 4.782 124.504 119.914 -0.320 0.000 2.409 469 V HA 0.450 4.571 4.120 0.002 0.000 0.291 469 V C 0.300 176.229 176.094 -0.276 0.000 1.020 469 V CA -0.993 61.064 62.300 -0.404 0.000 0.848 469 V CB 1.450 32.764 31.823 -0.848 0.000 0.990 469 V HN 0.726 nan 8.190 nan 0.000 0.430 470 R N 4.814 125.245 120.500 -0.115 0.000 2.254 470 R HA 0.562 4.903 4.340 0.002 0.000 0.318 470 R C -0.772 175.538 176.300 0.016 0.000 1.031 470 R CA -0.557 55.522 56.100 -0.034 0.000 0.905 470 R CB 0.747 31.036 30.300 -0.018 0.000 1.050 470 R HN 0.686 nan 8.270 nan 0.000 0.456 471 I N 5.694 126.303 120.570 0.066 0.000 2.396 471 I HA 0.043 4.214 4.170 0.002 0.000 0.289 471 I C 0.900 177.045 176.117 0.047 0.000 1.056 471 I CA -0.066 61.284 61.300 0.084 0.000 1.365 471 I CB 1.236 39.302 38.000 0.110 0.000 1.407 471 I HN 0.627 nan 8.210 nan 0.000 0.509 472 K N 3.582 124.005 120.400 0.038 0.000 2.286 472 K HA 0.013 4.334 4.320 0.002 0.000 0.203 472 K C 1.155 177.768 176.600 0.022 0.000 1.078 472 K CA 0.541 56.843 56.287 0.024 0.000 0.957 472 K CB -0.170 32.341 32.500 0.019 0.000 1.018 472 K HN 0.726 nan 8.250 nan 0.000 0.484 473 D N 1.047 121.461 120.400 0.024 0.000 2.368 473 D HA -0.033 4.608 4.640 0.002 0.000 0.250 473 D C 0.998 177.307 176.300 0.015 0.000 1.142 473 D CA 0.837 54.848 54.000 0.018 0.000 0.925 473 D CB -0.664 40.147 40.800 0.019 0.000 0.896 473 D HN 0.327 nan 8.370 nan 0.000 0.525 474 G N 0.694 109.504 108.800 0.017 0.000 2.219 474 G HA2 -0.417 3.544 3.960 0.002 0.000 0.271 474 G HA3 -0.417 3.544 3.960 0.002 0.000 0.271 474 G C 1.048 175.953 174.900 0.008 0.000 0.991 474 G CA 1.135 46.243 45.100 0.012 0.000 0.685 474 G HN 0.723 nan 8.290 nan 0.000 0.531 475 S N -1.480 114.226 115.700 0.009 0.000 2.653 475 S HA 0.479 4.950 4.470 0.002 0.000 0.233 475 S C 0.711 175.307 174.600 -0.006 0.000 0.970 475 S CA 1.024 59.225 58.200 0.001 0.000 0.947 475 S CB 0.247 63.448 63.200 0.002 0.000 0.771 475 S HN 1.593 nan 8.310 nan 0.000 0.538 476 S N -0.626 115.074 115.700 -0.000 0.000 2.565 476 S HA 0.443 4.914 4.470 0.002 0.000 0.269 476 S C -0.029 174.571 174.600 0.001 0.000 1.153 476 S CA -0.879 57.316 58.200 -0.008 0.000 0.835 476 S CB 1.185 64.375 63.200 -0.016 0.000 1.122 476 S HN 0.156 nan 8.310 nan 0.000 0.462 477 K N 0.525 120.922 120.400 -0.005 0.000 2.228 477 K HA 0.166 4.487 4.320 0.002 0.000 0.202 477 K C 0.544 177.150 176.600 0.009 0.000 1.051 477 K CA 0.360 56.647 56.287 0.000 0.000 0.960 477 K CB 0.025 32.522 32.500 -0.005 0.000 0.743 477 K HN 0.307 nan 8.250 nan 0.000 0.458 478 R N 1.521 122.028 120.500 0.012 0.000 2.543 478 R HA 0.060 4.401 4.340 0.002 0.000 0.277 478 R C 0.854 177.185 176.300 0.051 0.000 1.074 478 R CA 0.395 56.513 56.100 0.031 0.000 1.076 478 R CB 0.630 30.951 30.300 0.034 0.000 0.993 478 R HN 0.098 nan 8.270 nan 0.000 0.459 479 K N 0.374 120.806 120.400 0.053 0.000 2.400 479 K HA 0.025 4.346 4.320 0.002 0.000 0.194 479 K C 0.304 176.949 176.600 0.074 0.000 1.033 479 K CA 0.415 56.735 56.287 0.054 0.000 1.021 479 K CB 0.361 32.883 32.500 0.037 0.000 0.808 479 K HN 0.696 nan 8.250 nan 0.000 0.505 480 S N -0.551 115.213 115.700 0.107 0.000 2.595 480 S HA 0.478 4.949 4.470 0.002 0.000 0.270 480 S C -1.528 173.198 174.600 0.210 0.000 1.145 480 S CA -1.169 57.098 58.200 0.111 0.000 0.825 480 S CB 0.880 64.105 63.200 0.041 0.000 1.107 480 S HN 0.221 nan 8.310 nan 0.000 0.461 481 Y N -1.778 118.532 120.300 0.018 0.000 2.689 481 Y HA 0.850 5.401 4.550 0.002 0.000 0.333 481 Y C -1.563 174.385 175.900 0.081 0.000 1.208 481 Y CA -1.627 56.460 58.100 -0.022 0.000 1.055 481 Y CB 0.385 38.789 38.460 -0.093 0.000 1.304 481 Y HN 1.021 nan 8.280 nan 0.000 0.455 482 W N 0.877 122.191 121.300 0.024 0.000 2.639 482 W HA 0.800 5.461 4.660 0.002 0.000 0.347 482 W C -1.436 175.103 176.519 0.034 0.000 1.067 482 W CA -0.811 56.487 57.345 -0.080 0.000 1.218 482 W CB 1.710 31.151 29.460 -0.033 0.000 1.393 482 W HN 0.889 nan 8.180 nan 0.000 0.557 483 T N 0.391 115.170 114.554 0.376 0.000 2.716 483 T HA 0.565 4.916 4.350 0.002 0.000 0.286 483 T C -0.680 174.222 174.700 0.336 0.000 1.052 483 T CA -0.214 62.093 62.100 0.345 0.000 1.024 483 T CB 1.471 70.478 68.868 0.231 0.000 1.349 483 T HN 0.604 nan 8.240 nan 0.000 0.525 484 T N -0.312 114.378 114.554 0.228 0.000 2.888 484 T HA 0.729 5.080 4.350 0.002 0.000 0.284 484 T C -0.804 173.940 174.700 0.072 0.000 1.017 484 T CA -0.701 61.485 62.100 0.143 0.000 1.022 484 T CB 1.625 70.576 68.868 0.138 0.000 1.013 484 T HN 0.557 nan 8.240 nan 0.000 0.465 485 E N 1.327 121.546 120.200 0.033 0.000 2.255 485 E HA 0.385 4.737 4.350 0.002 0.000 0.256 485 E C -1.051 175.540 176.600 -0.016 0.000 0.887 485 E CA -0.615 55.790 56.400 0.009 0.000 0.782 485 E CB 1.400 31.100 29.700 0.001 0.000 1.214 485 E HN 0.724 nan 8.360 nan 0.000 0.417 486 T N 3.803 118.345 114.554 -0.020 0.000 2.806 486 T HA 0.300 4.651 4.350 0.002 0.000 0.290 486 T C -0.564 174.107 174.700 -0.047 0.000 0.966 486 T CA -0.493 61.580 62.100 -0.045 0.000 1.060 486 T CB 1.020 69.862 68.868 -0.043 0.000 0.927 486 T HN 0.381 nan 8.240 nan 0.000 0.485 487 Q N 1.480 121.238 119.800 -0.069 0.000 2.353 487 Q HA 0.488 4.830 4.340 0.002 0.000 0.268 487 Q C -0.638 175.321 176.000 -0.068 0.000 1.045 487 Q CA -0.849 54.923 55.803 -0.052 0.000 0.811 487 Q CB 1.662 30.376 28.738 -0.040 0.000 1.305 487 Q HN 0.434 nan 8.270 nan 0.000 0.447 488 T N 1.685 116.218 114.554 -0.035 0.000 2.780 488 T HA 0.431 4.782 4.350 0.002 0.000 0.294 488 T C -0.050 174.666 174.700 0.027 0.000 0.949 488 T CA -0.486 61.605 62.100 -0.017 0.000 1.074 488 T CB 0.727 69.601 68.868 0.011 0.000 0.910 488 T HN 0.657 nan 8.240 nan 0.000 0.501 489 A N 3.806 126.672 122.820 0.077 0.000 2.492 489 A HA 0.268 4.590 4.320 0.002 0.000 0.254 489 A C 1.391 179.043 177.584 0.113 0.000 1.091 489 A CA -0.290 51.828 52.037 0.135 0.000 0.768 489 A CB 0.283 19.461 19.000 0.296 0.000 1.028 489 A HN 0.718 nan 8.150 nan 0.000 0.498 490 K N 0.986 121.434 120.400 0.080 0.000 2.128 490 K HA 0.048 4.370 4.320 0.002 0.000 0.202 490 K C 0.996 177.640 176.600 0.073 0.000 1.050 490 K CA 1.771 58.099 56.287 0.069 0.000 0.966 490 K CB -0.261 32.268 32.500 0.049 0.000 0.759 490 K HN 0.911 nan 8.250 nan 0.000 0.454 491 T N -2.691 111.904 114.554 0.069 0.000 2.865 491 T HA 0.338 4.689 4.350 0.002 0.000 0.294 491 T C 0.803 175.543 174.700 0.067 0.000 1.119 491 T CA -0.773 61.367 62.100 0.066 0.000 1.007 491 T CB 2.123 71.022 68.868 0.052 0.000 1.225 491 T HN -0.029 nan 8.240 nan 0.000 0.515 492 E N 0.607 120.850 120.200 0.071 0.000 2.171 492 E HA -0.158 4.194 4.350 0.002 0.000 0.197 492 E C 2.141 178.764 176.600 0.038 0.000 0.997 492 E CA 1.627 58.074 56.400 0.077 0.000 0.810 492 E CB -0.174 29.588 29.700 0.104 0.000 0.738 492 E HN 0.766 nan 8.360 nan 0.000 0.467 493 S N 0.890 116.605 115.700 0.024 0.000 2.447 493 S HA -0.134 4.337 4.470 0.002 0.000 0.233 493 S C 1.324 175.893 174.600 -0.051 0.000 1.006 493 S CA 0.969 59.157 58.200 -0.020 0.000 0.957 493 S CB 0.031 63.229 63.200 -0.002 0.000 0.773 493 S HN 0.122 nan 8.310 nan 0.000 0.507 494 D N 2.209 122.607 120.400 -0.003 0.000 2.234 494 D HA 0.203 4.844 4.640 0.002 0.000 0.205 494 D C 1.483 177.799 176.300 0.025 0.000 0.962 494 D CA 1.059 55.066 54.000 0.011 0.000 0.855 494 D CB -0.221 40.611 40.800 0.053 0.000 0.951 494 D HN 0.581 nan 8.370 nan 0.000 0.500 495 A N 0.363 123.195 122.820 0.021 0.000 2.462 495 A HA 0.106 4.428 4.320 0.002 0.000 0.261 495 A C 0.426 177.919 177.584 -0.152 0.000 1.323 495 A CA -0.158 51.889 52.037 0.016 0.000 0.913 495 A CB -0.170 18.820 19.000 -0.016 0.000 1.028 495 A HN -0.086 nan 8.150 nan 0.000 0.511 496 K N 1.342 121.534 120.400 -0.347 0.000 2.268 496 K HA 0.460 4.781 4.320 0.002 0.000 0.276 496 K C -0.925 175.224 176.600 -0.751 0.000 1.080 496 K CA -0.092 55.673 56.287 -0.870 0.000 0.910 496 K CB 0.931 32.550 32.500 -1.467 0.000 1.163 496 K HN 0.235 nan 8.250 nan 0.000 0.465 497 I N 2.787 123.103 120.570 -0.424 0.000 2.406 497 I HA 0.158 4.329 4.170 0.002 0.000 0.290 497 I C 0.070 176.253 176.117 0.111 0.000 0.999 497 I CA -0.555 60.695 61.300 -0.082 0.000 1.124 497 I CB 1.810 39.836 38.000 0.043 0.000 1.289 497 I HN 0.434 nan 8.210 nan 0.000 0.441 498 T N 7.269 121.915 114.554 0.154 0.000 2.747 498 T HA 0.461 4.812 4.350 0.002 0.000 0.301 498 T C 0.540 175.332 174.700 0.152 0.000 0.952 498 T CA -0.234 61.973 62.100 0.178 0.000 0.983 498 T CB 0.084 68.996 68.868 0.074 0.000 0.930 498 T HN 0.258 nan 8.240 nan 0.000 0.494 499 I N 3.009 123.719 120.570 0.233 0.000 2.533 499 I HA 0.351 4.522 4.170 0.002 0.000 0.284 499 I C 1.406 177.642 176.117 0.198 0.000 1.109 499 I CA 0.752 62.158 61.300 0.177 0.000 1.412 499 I CB 0.655 38.749 38.000 0.157 0.000 1.396 499 I HN 0.939 nan 8.210 nan 0.000 0.543 500 G N 4.767 113.627 108.800 0.099 0.000 2.296 500 G HA2 -0.192 3.769 3.960 0.002 0.000 0.188 500 G HA3 -0.192 3.769 3.960 0.002 0.000 0.188 500 G C 0.643 175.553 174.900 0.017 0.000 1.000 500 G CA -0.487 44.658 45.100 0.074 0.000 0.672 500 G HN 0.506 nan 8.290 nan 0.000 0.483 501 L N 0.772 121.995 121.223 0.000 0.000 2.551 501 L HA 0.491 4.832 4.340 0.002 0.000 0.228 501 L C 1.227 178.080 176.870 -0.029 0.000 1.153 501 L CA 1.227 56.053 54.840 -0.024 0.000 0.851 501 L CB -0.396 41.649 42.059 -0.024 0.000 0.959 501 L HN 1.034 nan 8.230 nan 0.000 0.451 502 A N -0.487 122.314 122.820 -0.032 0.000 2.597 502 A HA 0.435 4.756 4.320 0.002 0.000 0.302 502 A C -2.740 174.805 177.584 -0.065 0.000 0.942 502 A CA -1.008 50.998 52.037 -0.053 0.000 0.665 502 A CB -0.269 18.700 19.000 -0.051 0.000 1.293 502 A HN -0.075 nan 8.150 nan 0.000 0.415 503 P HA 0.671 nan 4.420 nan 0.000 0.279 503 P C -0.354 176.869 177.300 -0.128 0.000 1.239 503 P CA 0.369 63.389 63.100 -0.133 0.000 0.789 503 P CB 1.513 33.083 31.700 -0.217 0.000 0.933 504 A N 1.669 124.423 122.820 -0.109 0.000 2.594 504 A HA 0.421 4.743 4.320 0.002 0.000 0.296 504 A C -1.009 176.526 177.584 -0.081 0.000 1.056 504 A CA -0.775 51.206 52.037 -0.093 0.000 0.693 504 A CB 1.062 20.020 19.000 -0.069 0.000 1.278 504 A HN 0.536 nan 8.150 nan 0.000 0.408 505 E N 0.927 121.078 120.200 -0.082 0.000 2.242 505 E HA 0.577 4.928 4.350 0.002 0.000 0.275 505 E C -1.129 175.413 176.600 -0.096 0.000 1.002 505 E CA -0.573 55.785 56.400 -0.069 0.000 0.841 505 E CB 1.766 31.432 29.700 -0.056 0.000 1.109 505 E HN 0.513 nan 8.360 nan 0.000 0.394 506 L N 2.785 123.969 121.223 -0.066 0.000 2.316 506 L HA 0.457 4.798 4.340 0.002 0.000 0.280 506 L C -0.862 175.976 176.870 -0.054 0.000 1.006 506 L CA -0.813 53.980 54.840 -0.078 0.000 0.836 506 L CB 1.288 43.417 42.059 0.116 0.000 1.221 506 L HN 0.200 nan 8.230 nan 0.000 0.418 507 V N 3.602 123.395 119.914 -0.201 0.000 2.789 507 V HA 0.458 4.579 4.120 0.002 0.000 0.311 507 V C -0.188 175.880 176.094 -0.043 0.000 1.073 507 V CA -0.763 61.481 62.300 -0.092 0.000 0.921 507 V CB 2.812 34.576 31.823 -0.098 0.000 1.009 507 V HN 0.344 nan 8.190 nan 0.000 0.426 508 V N 4.783 124.698 119.914 0.002 0.000 2.370 508 V HA 0.611 4.732 4.120 0.002 0.000 0.279 508 V C -0.022 176.082 176.094 0.017 0.000 1.029 508 V CA -0.331 61.996 62.300 0.045 0.000 0.870 508 V CB 1.576 33.327 31.823 -0.120 0.000 0.984 508 V HN 0.779 nan 8.190 nan 0.000 0.451 509 V N 2.112 122.058 119.914 0.053 0.000 3.046 509 V HA 0.698 4.819 4.120 0.002 0.000 0.316 509 V C -0.304 175.839 176.094 0.081 0.000 1.104 509 V CA -0.956 61.382 62.300 0.063 0.000 1.006 509 V CB 2.343 34.186 31.823 0.034 0.000 1.058 509 V HN 0.677 nan 8.190 nan 0.000 0.440 510 N N 3.205 121.955 118.700 0.084 0.000 2.589 510 N HA 0.420 5.161 4.740 0.002 0.000 0.232 510 N C -1.612 173.926 175.510 0.048 0.000 1.015 510 N CA -2.247 50.849 53.050 0.077 0.000 0.931 510 N CB 1.514 40.049 38.487 0.080 0.000 1.150 510 N HN 0.629 nan 8.380 nan 0.000 0.512 511 P HA -0.059 nan 4.420 nan 0.000 0.234 511 P C 0.047 177.358 177.300 0.017 0.000 1.162 511 P CA 0.857 63.975 63.100 0.030 0.000 0.759 511 P CB 0.490 32.213 31.700 0.039 0.000 0.813 512 N N -0.423 118.287 118.700 0.017 0.000 2.282 512 N HA 0.146 4.887 4.740 0.002 0.000 0.185 512 N C 0.703 176.204 175.510 -0.015 0.000 1.099 512 N CA 0.276 53.326 53.050 -0.001 0.000 0.878 512 N CB 0.889 39.376 38.487 0.001 0.000 0.993 512 N HN 0.292 nan 8.380 nan 0.000 0.481 513 I N 1.258 121.816 120.570 -0.020 0.000 2.418 513 I HA 0.288 4.459 4.170 0.002 0.000 0.287 513 I C -0.460 175.624 176.117 -0.056 0.000 1.008 513 I CA -0.550 60.721 61.300 -0.048 0.000 1.104 513 I CB 1.869 39.828 38.000 -0.069 0.000 1.264 513 I HN -0.354 nan 8.210 nan 0.000 0.438 514 K N 3.459 123.823 120.400 -0.059 0.000 2.259 514 K HA 0.514 4.835 4.320 0.002 0.000 0.249 514 K C 0.012 176.569 176.600 -0.072 0.000 0.942 514 K CA -0.685 55.569 56.287 -0.056 0.000 0.816 514 K CB 2.188 34.665 32.500 -0.038 0.000 1.155 514 K HN 0.691 nan 8.250 nan 0.000 0.428 515 T N -1.263 113.250 114.554 -0.068 0.000 2.726 515 T HA 0.148 4.499 4.350 0.002 0.000 0.294 515 T C 1.413 176.082 174.700 -0.051 0.000 1.013 515 T CA -0.106 61.953 62.100 -0.068 0.000 0.996 515 T CB 1.007 69.843 68.868 -0.054 0.000 1.016 515 T HN 0.585 nan 8.240 nan 0.000 0.529 516 A N 0.577 123.369 122.820 -0.047 0.000 1.986 516 A HA -0.057 4.264 4.320 0.002 0.000 0.220 516 A C 2.338 179.904 177.584 -0.031 0.000 1.171 516 A CA 2.081 54.096 52.037 -0.037 0.000 0.640 516 A CB -1.369 17.610 19.000 -0.035 0.000 0.811 516 A HN 1.429 nan 8.150 nan 0.000 0.451 517 V N -4.017 115.879 119.914 -0.030 0.000 3.623 517 V HA 0.512 4.633 4.120 0.002 0.000 0.271 517 V C 1.295 177.375 176.094 -0.024 0.000 1.248 517 V CA 0.785 63.069 62.300 -0.026 0.000 1.156 517 V CB -0.803 31.005 31.823 -0.025 0.000 0.870 517 V HN 1.577 nan 8.190 nan 0.000 0.453 518 G N 0.453 109.237 108.800 -0.027 0.000 2.131 518 G HA2 -0.209 3.752 3.960 0.002 0.000 0.201 518 G HA3 -0.209 3.752 3.960 0.002 0.000 0.201 518 G C -0.218 174.668 174.900 -0.023 0.000 1.000 518 G CA 0.038 45.123 45.100 -0.025 0.000 0.680 518 G HN 0.575 nan 8.290 nan 0.000 0.514 519 N N 0.858 119.543 118.700 -0.025 0.000 2.498 519 N HA 0.359 5.101 4.740 0.002 0.000 0.287 519 N C 0.036 175.532 175.510 -0.024 0.000 1.097 519 N CA -0.255 52.782 53.050 -0.020 0.000 0.973 519 N CB 1.020 39.497 38.487 -0.015 0.000 1.153 519 N HN 0.464 nan 8.380 nan 0.000 0.472 520 E N 0.575 120.766 120.200 -0.015 0.000 2.344 520 E HA 0.099 4.450 4.350 0.002 0.000 0.270 520 E C 0.171 176.771 176.600 -0.001 0.000 1.021 520 E CA -0.532 55.862 56.400 -0.011 0.000 0.887 520 E CB 0.943 30.642 29.700 -0.000 0.000 0.997 520 E HN 0.360 nan 8.360 nan 0.000 0.429 521 V N 1.207 121.114 119.914 -0.012 0.000 2.673 521 V HA 0.582 4.703 4.120 0.002 0.000 0.303 521 V C 0.492 176.670 176.094 0.139 0.000 1.046 521 V CA 0.196 62.510 62.300 0.025 0.000 1.126 521 V CB 0.682 32.427 31.823 -0.129 0.000 0.934 521 V HN 0.678 nan 8.190 nan 0.000 0.487 522 G N 3.171 112.097 108.800 0.210 0.000 2.660 522 G HA2 0.607 4.568 3.960 0.002 0.000 0.290 522 G HA3 0.607 4.568 3.960 0.002 0.000 0.290 522 G C -2.239 172.747 174.900 0.145 0.000 1.432 522 G CA -0.754 44.438 45.100 0.152 0.000 0.807 522 G HN 0.755 nan 8.290 nan 0.000 0.485 523 Y N -0.245 119.981 120.300 -0.123 0.000 2.477 523 Y HA 0.718 5.269 4.550 0.002 0.000 0.347 523 Y C 0.462 176.256 175.900 -0.177 0.000 0.981 523 Y CA -0.814 57.176 58.100 -0.183 0.000 1.033 523 Y CB 2.499 40.777 38.460 -0.303 0.000 1.245 523 Y HN 0.858 nan 8.280 nan 0.000 0.455 524 R N 2.371 122.871 120.500 -0.000 0.000 2.854 524 R HA 0.810 5.151 4.340 0.002 0.000 0.271 524 R C -2.178 174.148 176.300 0.042 0.000 0.994 524 R CA -1.096 55.001 56.100 -0.004 0.000 0.945 524 R CB 1.620 31.905 30.300 -0.025 0.000 1.194 524 R HN 0.571 nan 8.270 nan 0.000 0.476 525 L N 2.730 123.974 121.223 0.034 0.000 2.272 525 L HA 0.515 4.856 4.340 0.002 0.000 0.289 525 L C -1.336 175.536 176.870 0.004 0.000 1.032 525 L CA -0.381 54.480 54.840 0.035 0.000 0.810 525 L CB 1.189 43.217 42.059 -0.051 0.000 1.205 525 L HN 0.727 nan 8.230 nan 0.000 0.422 526 I N 8.386 128.984 120.570 0.047 0.000 2.347 526 I HA 0.378 4.549 4.170 0.002 0.000 0.283 526 I C -2.030 174.120 176.117 0.055 0.000 1.058 526 I CA -1.596 59.723 61.300 0.032 0.000 1.202 526 I CB 1.011 39.032 38.000 0.034 0.000 1.386 526 I HN 0.552 nan 8.210 nan 0.000 0.475 527 P HA 0.295 nan 4.420 nan 0.000 0.279 527 P C -0.400 176.944 177.300 0.074 0.000 1.252 527 P CA -0.350 62.766 63.100 0.027 0.000 0.811 527 P CB 1.419 33.100 31.700 -0.031 0.000 1.035 528 A N 2.839 125.724 122.820 0.108 0.000 2.327 528 A HA 0.247 4.568 4.320 0.002 0.000 0.255 528 A C 0.593 178.194 177.584 0.028 0.000 1.099 528 A CA -0.728 51.344 52.037 0.059 0.000 0.801 528 A CB -0.349 18.685 19.000 0.056 0.000 1.062 528 A HN 0.709 nan 8.150 nan 0.000 0.496 529 I N 1.689 122.261 120.570 0.004 0.000 2.742 529 I HA 0.102 4.273 4.170 0.002 0.000 0.287 529 I C -1.702 174.393 176.117 -0.037 0.000 1.186 529 I CA -1.317 59.980 61.300 -0.006 0.000 1.417 529 I CB 0.640 38.634 38.000 -0.009 0.000 1.377 529 I HN 0.407 nan 8.210 nan 0.000 0.556 530 P HA 0.277 nan 4.420 nan 0.000 0.279 530 P C -1.202 175.923 177.300 -0.293 0.000 1.239 530 P CA -0.470 62.532 63.100 -0.164 0.000 0.789 530 P CB 1.327 32.921 31.700 -0.177 0.000 0.933 531 A N 3.340 125.950 122.820 -0.351 0.000 2.312 531 A HA 0.605 4.926 4.320 0.002 0.000 0.328 531 A C -0.257 177.101 177.584 -0.377 0.000 1.158 531 A CA -0.526 51.288 52.037 -0.372 0.000 0.821 531 A CB 0.529 19.156 19.000 -0.622 0.000 1.170 531 A HN 0.645 nan 8.150 nan 0.000 0.490 532 H N 0.847 120.038 119.070 0.203 0.000 2.731 532 H HA 0.437 4.995 4.556 0.002 0.000 0.368 532 H C -2.512 173.034 175.328 0.364 0.000 1.168 532 H CA -1.855 54.332 56.048 0.232 0.000 1.181 532 H CB 1.369 31.204 29.762 0.121 0.000 1.743 532 H HN 0.441 nan 8.280 nan 0.000 0.547 533 P HA 0.051 nan 4.420 nan 0.000 0.268 533 P C 0.487 177.917 177.300 0.218 0.000 1.204 533 P CA 0.116 63.356 63.100 0.234 0.000 0.768 533 P CB 0.978 32.661 31.700 -0.029 0.000 0.842 534 L N 1.914 123.269 121.223 0.219 0.000 2.728 534 L HA 0.220 4.562 4.340 0.002 0.000 0.238 534 L C 0.727 177.629 176.870 0.053 0.000 1.143 534 L CA -0.035 54.861 54.840 0.093 0.000 0.937 534 L CB -0.002 42.063 42.059 0.011 0.000 1.225 534 L HN 0.241 nan 8.230 nan 0.000 0.507 535 L N -0.157 121.104 121.223 0.062 0.000 2.379 535 L HA 0.307 4.648 4.340 0.002 0.000 0.269 535 L C 0.849 177.727 176.870 0.012 0.000 1.084 535 L CA -0.529 54.339 54.840 0.047 0.000 0.802 535 L CB 1.285 43.386 42.059 0.070 0.000 1.175 535 L HN 0.131 nan 8.230 nan 0.000 0.448 536 T N -2.741 111.813 114.554 0.001 0.000 2.900 536 T HA 0.026 4.378 4.350 0.002 0.000 0.307 536 T C 0.845 175.517 174.700 -0.047 0.000 1.065 536 T CA -0.494 61.590 62.100 -0.027 0.000 1.105 536 T CB 1.088 69.938 68.868 -0.031 0.000 0.979 536 T HN 0.696 nan 8.240 nan 0.000 0.544 537 E N 0.630 120.794 120.200 -0.060 0.000 2.265 537 E HA -0.172 4.179 4.350 0.002 0.000 0.196 537 E C 1.422 177.970 176.600 -0.086 0.000 0.996 537 E CA 1.304 57.659 56.400 -0.075 0.000 0.832 537 E CB 0.058 29.716 29.700 -0.070 0.000 0.756 537 E HN 0.865 nan 8.360 nan 0.000 0.491 538 D N -0.212 120.128 120.400 -0.101 0.000 2.354 538 D HA -0.080 4.561 4.640 0.002 0.000 0.209 538 D C 0.299 176.439 176.300 -0.266 0.000 1.015 538 D CA -0.064 53.846 54.000 -0.151 0.000 0.867 538 D CB -0.247 40.476 40.800 -0.129 0.000 0.933 538 D HN -0.082 nan 8.370 nan 0.000 0.520 539 D N -0.353 119.933 120.400 -0.190 0.000 2.423 539 D HA -0.071 4.570 4.640 0.002 0.000 0.238 539 D C 0.761 176.910 176.300 -0.252 0.000 1.142 539 D CA -0.138 53.735 54.000 -0.211 0.000 0.884 539 D CB 0.506 41.291 40.800 -0.024 0.000 1.199 539 D HN -0.059 nan 8.370 nan 0.000 0.438 540 Y N 2.615 122.900 120.300 -0.025 0.000 2.097 540 Y HA -0.135 4.416 4.550 0.002 0.000 0.282 540 Y C -0.546 175.310 175.900 -0.074 0.000 1.152 540 Y CA 1.352 59.372 58.100 -0.132 0.000 1.136 540 Y CB -1.835 36.328 38.460 -0.493 0.000 0.975 540 Y HN 0.510 nan 8.280 nan 0.000 0.498 541 P HA -0.183 nan 4.420 nan 0.000 0.218 541 P C 1.395 178.778 177.300 0.139 0.000 1.148 541 P CA 1.653 64.906 63.100 0.257 0.000 0.822 541 P CB 0.054 32.003 31.700 0.416 0.000 0.784 542 Q N -0.372 119.470 119.800 0.070 0.000 2.172 542 Q HA -0.030 4.311 4.340 0.002 0.000 0.200 542 Q C 2.056 177.962 176.000 -0.156 0.000 0.964 542 Q CA 1.223 56.989 55.803 -0.063 0.000 0.855 542 Q CB -1.029 27.688 28.738 -0.035 0.000 0.918 542 Q HN 0.231 nan 8.270 nan 0.000 0.444 543 I N -0.571 119.951 120.570 -0.079 0.000 2.233 543 I HA -0.234 3.937 4.170 0.002 0.000 0.243 543 I C 2.240 178.303 176.117 -0.090 0.000 1.093 543 I CA 0.912 62.175 61.300 -0.062 0.000 1.380 543 I CB -0.184 37.832 38.000 0.027 0.000 1.067 543 I HN 0.132 nan 8.210 nan 0.000 0.413 544 R N 0.530 121.002 120.500 -0.046 0.000 2.091 544 R HA -0.098 4.243 4.340 0.002 0.000 0.238 544 R C 1.664 177.847 176.300 -0.195 0.000 1.136 544 R CA 1.416 57.457 56.100 -0.097 0.000 0.959 544 R CB -0.514 29.775 30.300 -0.019 0.000 0.856 544 R HN 0.372 nan 8.270 nan 0.000 0.437 545 G N -0.538 108.018 108.800 -0.407 0.000 3.814 545 G HA2 0.267 4.228 3.960 0.002 0.000 0.293 545 G HA3 0.267 4.228 3.960 0.002 0.000 0.293 545 G C 0.827 175.092 174.900 -1.059 0.000 1.243 545 G CA 0.147 44.611 45.100 -1.059 0.000 1.053 545 G HN 0.274 nan 8.290 nan 0.000 0.562 546 A N 0.723 123.223 122.820 -0.534 0.000 2.172 546 A HA 0.068 4.389 4.320 0.002 0.000 0.216 546 A C 1.844 179.303 177.584 -0.208 0.000 1.154 546 A CA 0.998 52.846 52.037 -0.315 0.000 0.701 546 A CB -0.583 18.322 19.000 -0.158 0.000 0.789 546 A HN 0.748 nan 8.150 nan 0.000 0.465 547 F N 0.189 119.996 119.950 -0.240 0.000 2.546 547 F HA -0.012 4.516 4.527 0.002 0.000 0.298 547 F C 1.758 177.614 175.800 0.093 0.000 1.120 547 F CA 1.268 59.094 58.000 -0.288 0.000 1.456 547 F CB -1.487 37.231 39.000 -0.471 0.000 1.088 547 F HN 0.140 nan 8.300 nan 0.000 0.572 548 T N -3.395 111.031 114.554 -0.214 0.000 3.144 548 T HA 0.128 4.479 4.350 0.002 0.000 0.249 548 T C 1.046 175.704 174.700 -0.070 0.000 1.089 548 T CA 0.195 62.229 62.100 -0.110 0.000 0.989 548 T CB -1.137 67.366 68.868 -0.609 0.000 0.992 548 T HN 0.495 nan 8.240 nan 0.000 0.540 549 N N -0.273 118.425 118.700 -0.003 0.000 2.457 549 N HA 0.072 4.813 4.740 0.002 0.000 0.180 549 N C -0.813 174.289 175.510 -0.681 0.000 1.050 549 N CA 0.524 53.397 53.050 -0.295 0.000 0.906 549 N CB 0.114 38.415 38.487 -0.309 0.000 0.968 549 N HN 0.420 nan 8.380 nan 0.000 0.445 550 Y N -0.651 119.593 120.300 -0.092 0.000 2.512 550 Y HA 0.266 4.817 4.550 0.002 0.000 0.348 550 Y C 0.406 176.280 175.900 -0.043 0.000 0.990 550 Y CA -1.138 56.754 58.100 -0.347 0.000 1.033 550 Y CB 1.341 39.130 38.460 -1.117 0.000 1.259 550 Y HN -0.176 nan 8.280 nan 0.000 0.461 551 N N 0.051 118.861 118.700 0.184 0.000 2.270 551 N HA 0.045 4.786 4.740 0.002 0.000 0.181 551 N C -0.735 174.955 175.510 0.300 0.000 1.016 551 N CA 0.800 53.980 53.050 0.216 0.000 0.870 551 N CB 0.377 38.983 38.487 0.200 0.000 0.979 551 N HN 0.194 nan 8.380 nan 0.000 0.431 552 V N 0.113 120.142 119.914 0.193 0.000 2.760 552 V HA 0.469 4.590 4.120 0.002 0.000 0.309 552 V C -1.566 174.565 176.094 0.062 0.000 1.077 552 V CA -0.852 61.586 62.300 0.230 0.000 0.910 552 V CB 1.680 33.594 31.823 0.151 0.000 1.008 552 V HN 0.157 nan 8.190 nan 0.000 0.424 553 W N 2.430 123.801 121.300 0.118 0.000 3.032 553 W HA 0.826 5.487 4.660 0.002 0.000 0.335 553 W C -1.006 175.544 176.519 0.051 0.000 1.154 553 W CA -0.873 56.495 57.345 0.039 0.000 1.204 553 W CB 1.761 31.245 29.460 0.040 0.000 1.416 553 W HN 0.302 nan 8.180 nan 0.000 0.521 554 V N 2.133 122.160 119.914 0.188 0.000 2.709 554 V HA 0.796 4.917 4.120 0.002 0.000 0.308 554 V C -0.224 175.993 176.094 0.204 0.000 1.062 554 V CA -0.816 61.545 62.300 0.102 0.000 0.901 554 V CB 1.847 33.523 31.823 -0.246 0.000 1.003 554 V HN 0.600 nan 8.190 nan 0.000 0.425 555 T N 1.109 115.833 114.554 0.283 0.000 2.906 555 T HA 0.841 5.192 4.350 0.002 0.000 0.295 555 T C -0.159 174.666 174.700 0.208 0.000 1.075 555 T CA -0.451 61.806 62.100 0.261 0.000 1.005 555 T CB 1.933 71.019 68.868 0.363 0.000 1.136 555 T HN 1.115 nan 8.240 nan 0.000 0.498 556 A N 1.645 124.561 122.820 0.160 0.000 2.488 556 A HA 0.411 4.732 4.320 0.002 0.000 0.249 556 A C -0.151 177.522 177.584 0.149 0.000 1.083 556 A CA -0.437 51.682 52.037 0.136 0.000 0.768 556 A CB -0.608 18.450 19.000 0.097 0.000 1.017 556 A HN 0.923 nan 8.150 nan 0.000 0.496 557 Y N 3.384 123.710 120.300 0.044 0.000 2.717 557 Y HA 0.169 4.720 4.550 0.002 0.000 0.330 557 Y C 0.224 176.130 175.900 0.010 0.000 1.217 557 Y CA 0.848 58.967 58.100 0.032 0.000 1.506 557 Y CB 0.288 38.736 38.460 -0.020 0.000 1.268 557 Y HN 0.707 nan 8.280 nan 0.000 0.561 558 N N 6.033 124.248 118.700 -0.807 0.000 2.500 558 N HA 0.159 4.900 4.740 0.002 0.000 0.291 558 N C 0.329 175.353 175.510 -0.811 0.000 1.092 558 N CA -0.570 52.074 53.050 -0.676 0.000 0.890 558 N CB 1.183 39.443 38.487 -0.379 0.000 1.466 558 N HN 0.931 nan 8.380 nan 0.000 0.507 559 R N 0.991 121.061 120.500 -0.716 0.000 2.200 559 R HA -0.101 4.240 4.340 0.002 0.000 0.234 559 R C 1.332 177.413 176.300 -0.366 0.000 1.127 559 R CA 2.172 58.014 56.100 -0.430 0.000 0.989 559 R CB 0.117 30.304 30.300 -0.189 0.000 0.869 559 R HN 0.677 nan 8.270 nan 0.000 0.459 560 T N -2.751 111.568 114.554 -0.391 0.000 3.044 560 T HA 0.078 4.430 4.350 0.002 0.000 0.250 560 T C 0.095 174.485 174.700 -0.517 0.000 1.081 560 T CA -0.177 61.680 62.100 -0.405 0.000 1.040 560 T CB 0.192 68.848 68.868 -0.352 0.000 0.962 560 T HN 0.196 nan 8.240 nan 0.000 0.506 561 E N 1.346 121.214 120.200 -0.553 0.000 1.996 561 E HA 0.326 4.677 4.350 0.002 0.000 0.280 561 E C 0.123 176.589 176.600 -0.223 0.000 1.092 561 E CA -0.248 55.705 56.400 -0.745 0.000 0.862 561 E CB 1.094 30.295 29.700 -0.831 0.000 1.066 561 E HN 0.443 nan 8.360 nan 0.000 0.396 562 K N 1.683 121.930 120.400 -0.256 0.000 2.550 562 K HA 0.135 4.456 4.320 0.002 0.000 0.205 562 K C -0.424 175.998 176.600 -0.297 0.000 1.429 562 K CA 0.139 56.153 56.287 -0.455 0.000 0.997 562 K CB 0.730 32.484 32.500 -1.244 0.000 1.328 562 K HN 0.348 nan 8.250 nan 0.000 0.546 563 W N 0.505 121.992 121.300 0.312 0.000 2.538 563 W HA 0.445 5.106 4.660 0.002 0.000 0.322 563 W C 0.622 177.211 176.519 0.117 0.000 1.028 563 W CA -0.864 56.582 57.345 0.168 0.000 1.228 563 W CB 1.378 30.843 29.460 0.009 0.000 1.356 563 W HN -0.023 nan 8.180 nan 0.000 0.452 564 A N 2.229 125.062 122.820 0.022 0.000 2.014 564 A HA 0.073 4.394 4.320 0.002 0.000 0.218 564 A C 1.930 179.193 177.584 -0.536 0.000 1.163 564 A CA 1.633 53.324 52.037 -0.577 0.000 0.652 564 A CB -0.616 17.801 19.000 -0.971 0.000 0.808 564 A HN 0.859 nan 8.150 nan 0.000 0.449 565 G N -1.443 107.198 108.800 -0.265 0.000 3.042 565 G HA2 0.472 4.433 3.960 0.002 0.000 0.212 565 G HA3 0.472 4.433 3.960 0.002 0.000 0.212 565 G C 0.738 175.607 174.900 -0.052 0.000 1.166 565 G CA 0.606 45.718 45.100 0.021 0.000 0.767 565 G HN 1.572 nan 8.290 nan 0.000 0.546 566 G N -0.928 107.896 108.800 0.040 0.000 2.555 566 G HA2 0.021 3.982 3.960 0.002 0.000 0.686 566 G HA3 0.021 3.982 3.960 0.002 0.000 0.686 566 G C 0.286 175.230 174.900 0.073 0.000 1.275 566 G CA -0.185 44.993 45.100 0.130 0.000 0.871 566 G HN 0.721 nan 8.290 nan 0.000 0.603 567 L N -0.452 120.786 121.223 0.025 0.000 2.083 567 L HA 0.301 4.642 4.340 0.002 0.000 0.209 567 L C 0.718 177.243 176.870 -0.575 0.000 1.083 567 L CA 1.413 56.093 54.840 -0.267 0.000 0.752 567 L CB -0.535 41.306 42.059 -0.363 0.000 0.899 567 L HN 0.562 nan 8.230 nan 0.000 0.433 568 Y N -1.569 118.642 120.300 -0.149 0.000 2.328 568 Y HA 0.430 4.981 4.550 0.002 0.000 0.333 568 Y C 0.747 176.551 175.900 -0.161 0.000 0.958 568 Y CA -0.597 57.394 58.100 -0.181 0.000 1.167 568 Y CB 1.591 39.907 38.460 -0.241 0.000 1.151 568 Y HN -0.319 nan 8.280 nan 0.000 0.470 569 V N -0.129 119.758 119.914 -0.044 0.000 3.151 569 V HA -0.011 4.110 4.120 0.002 0.000 0.241 569 V C 0.187 176.197 176.094 -0.140 0.000 1.173 569 V CA 0.226 62.425 62.300 -0.170 0.000 1.154 569 V CB 0.042 31.723 31.823 -0.236 0.000 0.898 569 V HN 0.641 nan 8.190 nan 0.000 0.473 570 D N 0.761 121.147 120.400 -0.024 0.000 2.472 570 D HA -0.018 4.623 4.640 0.002 0.000 0.248 570 D C 0.801 177.173 176.300 0.119 0.000 1.174 570 D CA 0.747 54.745 54.000 -0.004 0.000 0.883 570 D CB -0.206 40.652 40.800 0.098 0.000 1.149 570 D HN 0.467 nan 8.370 nan 0.000 0.488 571 H N 0.868 120.032 119.070 0.156 0.000 3.080 571 H HA -0.188 4.370 4.556 0.002 0.000 0.254 571 H C 0.220 175.535 175.328 -0.021 0.000 1.179 571 H CA 0.896 57.050 56.048 0.176 0.000 1.144 571 H CB -2.194 27.762 29.762 0.323 0.000 1.261 571 H HN 0.486 nan 8.280 nan 0.000 0.333 572 S N 0.338 116.018 115.700 -0.033 0.000 2.580 572 S HA 0.325 4.796 4.470 0.002 0.000 0.266 572 S C 1.250 175.705 174.600 -0.241 0.000 1.354 572 S CA -0.188 57.929 58.200 -0.137 0.000 1.008 572 S CB 1.591 64.686 63.200 -0.175 0.000 0.898 572 S HN 0.458 nan 8.310 nan 0.000 0.555 573 R N 0.181 120.463 120.500 -0.363 0.000 2.508 573 R HA 0.313 4.654 4.340 0.002 0.000 0.300 573 R C 1.060 177.233 176.300 -0.211 0.000 0.970 573 R CA 0.308 56.050 56.100 -0.595 0.000 1.102 573 R CB 0.391 30.005 30.300 -1.143 0.000 1.246 573 R HN 1.108 nan 8.270 nan 0.000 0.539 574 G N 2.663 111.385 108.800 -0.130 0.000 2.171 574 G HA2 -0.216 3.745 3.960 0.002 0.000 0.238 574 G HA3 -0.216 3.745 3.960 0.002 0.000 0.238 574 G C 0.119 174.976 174.900 -0.072 0.000 1.039 574 G CA 0.469 45.517 45.100 -0.087 0.000 0.759 574 G HN 0.542 nan 8.290 nan 0.000 0.501 575 D N -0.674 119.691 120.400 -0.059 0.000 2.398 575 D HA 0.192 4.833 4.640 0.002 0.000 0.210 575 D C 0.548 176.867 176.300 0.032 0.000 1.094 575 D CA 0.489 54.481 54.000 -0.013 0.000 0.839 575 D CB 0.668 41.466 40.800 -0.003 0.000 0.963 575 D HN 0.290 nan 8.370 nan 0.000 0.506 576 D N 1.116 121.529 120.400 0.022 0.000 2.992 576 D HA 0.065 4.706 4.640 0.002 0.000 0.372 576 D C -0.644 175.675 176.300 0.032 0.000 1.374 576 D CA -0.262 53.831 54.000 0.154 0.000 0.769 576 D CB 0.427 41.339 40.800 0.185 0.000 1.215 576 D HN 0.034 nan 8.370 nan 0.000 0.473 577 T N -2.447 111.893 114.554 -0.355 0.000 2.950 577 T HA 0.268 4.619 4.350 0.002 0.000 0.288 577 T C 1.315 175.044 174.700 -1.620 0.000 1.035 577 T CA -0.853 60.787 62.100 -0.767 0.000 1.028 577 T CB 1.471 70.097 68.868 -0.402 0.000 1.109 577 T HN -0.015 nan 8.240 nan 0.000 0.514 578 L N 1.643 121.741 121.223 -1.876 0.000 2.137 578 L HA -0.003 4.338 4.340 0.002 0.000 0.213 578 L C 2.629 178.820 176.870 -1.132 0.000 1.085 578 L CA 2.567 56.248 54.840 -1.932 0.000 0.760 578 L CB -1.286 39.663 42.059 -1.851 0.000 0.893 578 L HN 0.927 nan 8.230 nan 0.000 0.434 579 A N -1.577 120.781 122.820 -0.771 0.000 2.019 579 A HA -0.098 4.223 4.320 0.002 0.000 0.219 579 A C 2.236 179.745 177.584 -0.125 0.000 1.164 579 A CA 1.819 53.709 52.037 -0.244 0.000 0.644 579 A CB -0.795 18.174 19.000 -0.052 0.000 0.805 579 A HN 0.338 nan 8.150 nan 0.000 0.449 580 V N -1.676 118.089 119.914 -0.249 0.000 2.426 580 V HA -0.146 3.975 4.120 0.002 0.000 0.242 580 V C 2.310 178.443 176.094 0.064 0.000 1.036 580 V CA 1.113 63.373 62.300 -0.067 0.000 1.044 580 V CB -0.824 30.964 31.823 -0.058 0.000 0.688 580 V HN 0.794 nan 8.190 nan 0.000 0.462 581 W N 0.966 122.208 121.300 -0.097 0.000 2.342 581 W HA -0.175 4.486 4.660 0.002 0.000 0.297 581 W C 2.539 179.025 176.519 -0.055 0.000 1.213 581 W CA 1.885 59.174 57.345 -0.093 0.000 1.251 581 W CB -2.097 27.271 29.460 -0.154 0.000 1.136 581 W HN 0.499 nan 8.180 nan 0.000 0.526 582 T N -1.738 112.906 114.554 0.149 0.000 3.160 582 T HA 0.013 4.364 4.350 0.002 0.000 0.257 582 T C 1.387 176.160 174.700 0.122 0.000 1.147 582 T CA 0.481 62.665 62.100 0.140 0.000 1.064 582 T CB -0.132 68.842 68.868 0.176 0.000 0.949 582 T HN -0.005 nan 8.240 nan 0.000 0.526 583 K N 1.380 121.845 120.400 0.109 0.000 2.288 583 K HA 0.014 4.336 4.320 0.002 0.000 0.201 583 K C 2.215 178.860 176.600 0.076 0.000 1.048 583 K CA 0.665 57.004 56.287 0.086 0.000 0.956 583 K CB -0.167 32.376 32.500 0.073 0.000 0.746 583 K HN 0.551 nan 8.250 nan 0.000 0.461 584 Q N 0.870 120.721 119.800 0.084 0.000 2.234 584 Q HA -0.140 4.201 4.340 0.002 0.000 0.206 584 Q C 0.193 176.230 176.000 0.061 0.000 0.980 584 Q CA 0.438 56.280 55.803 0.065 0.000 0.869 584 Q CB -0.305 28.469 28.738 0.060 0.000 0.912 584 Q HN 0.224 nan 8.270 nan 0.000 0.436 585 N N 1.001 119.744 118.700 0.072 0.000 2.714 585 N HA -0.180 4.562 4.740 0.002 0.000 0.253 585 N C -1.245 174.301 175.510 0.060 0.000 1.024 585 N CA 0.465 53.554 53.050 0.065 0.000 0.726 585 N CB -0.500 38.018 38.487 0.053 0.000 0.908 585 N HN 0.233 nan 8.380 nan 0.000 0.542 586 R N 0.299 120.838 120.500 0.066 0.000 2.801 586 R HA 0.211 4.553 4.340 0.002 0.000 0.273 586 R C 0.330 176.670 176.300 0.066 0.000 1.080 586 R CA -0.169 55.968 56.100 0.061 0.000 1.197 586 R CB 0.455 30.793 30.300 0.063 0.000 1.109 586 R HN 0.368 nan 8.270 nan 0.000 0.535 587 E N 1.151 121.389 120.200 0.063 0.000 2.301 587 E HA 0.115 4.466 4.350 0.002 0.000 0.275 587 E C 0.336 176.984 176.600 0.080 0.000 1.030 587 E CA -0.055 56.386 56.400 0.068 0.000 0.852 587 E CB 0.810 30.547 29.700 0.062 0.000 1.060 587 E HN 0.526 nan 8.360 nan 0.000 0.401 588 I N -1.255 119.368 120.570 0.090 0.000 3.994 588 I HA 0.235 4.406 4.170 0.002 0.000 0.323 588 I C -0.572 175.612 176.117 0.111 0.000 1.501 588 I CA -0.462 60.900 61.300 0.104 0.000 1.112 588 I CB 0.850 38.919 38.000 0.115 0.000 1.254 588 I HN 0.047 nan 8.210 nan 0.000 0.495 589 V N 3.084 123.057 119.914 0.098 0.000 2.385 589 V HA 0.269 4.390 4.120 0.002 0.000 0.269 589 V C 0.612 176.767 176.094 0.103 0.000 1.043 589 V CA -0.189 62.168 62.300 0.096 0.000 0.906 589 V CB 0.386 32.255 31.823 0.077 0.000 0.995 589 V HN 0.671 nan 8.190 nan 0.000 0.467 590 N N 3.872 122.641 118.700 0.115 0.000 2.727 590 N HA -0.199 4.542 4.740 0.002 0.000 0.251 590 N C -0.415 175.222 175.510 0.212 0.000 1.040 590 N CA 1.132 54.272 53.050 0.150 0.000 0.712 590 N CB -0.565 37.998 38.487 0.128 0.000 0.912 590 N HN 0.920 nan 8.380 nan 0.000 0.545 591 K N -0.947 119.516 120.400 0.105 0.000 2.367 591 K HA 0.325 4.646 4.320 0.002 0.000 0.272 591 K C -1.100 175.430 176.600 -0.116 0.000 1.046 591 K CA -1.001 55.271 56.287 -0.025 0.000 0.895 591 K CB 0.456 32.976 32.500 0.033 0.000 1.512 591 K HN -0.024 nan 8.250 nan 0.000 0.433 592 D N 2.513 122.800 120.400 -0.189 0.000 2.346 592 D HA 0.165 4.806 4.640 0.002 0.000 0.260 592 D C -0.460 175.855 176.300 0.025 0.000 1.252 592 D CA 0.015 53.931 54.000 -0.140 0.000 0.895 592 D CB -0.069 40.584 40.800 -0.243 0.000 1.097 592 D HN 0.471 nan 8.370 nan 0.000 0.489 593 I N 0.199 120.797 120.570 0.046 0.000 3.067 593 I HA 0.732 4.903 4.170 0.002 0.000 0.312 593 I C -1.009 175.156 176.117 0.080 0.000 1.073 593 I CA -1.011 60.349 61.300 0.100 0.000 1.016 593 I CB 2.226 40.288 38.000 0.103 0.000 1.227 593 I HN -0.022 nan 8.210 nan 0.000 0.456 594 V N 3.201 123.148 119.914 0.055 0.000 2.808 594 V HA 0.429 4.550 4.120 0.002 0.000 0.308 594 V C -0.450 175.567 176.094 -0.128 0.000 1.099 594 V CA -0.472 61.744 62.300 -0.139 0.000 0.920 594 V CB 1.912 33.564 31.823 -0.285 0.000 1.014 594 V HN 0.865 nan 8.190 nan 0.000 0.425 595 M N 3.879 123.354 119.600 -0.208 0.000 2.404 595 M HA 0.630 5.111 4.480 0.002 0.000 0.338 595 M C -2.119 174.048 176.300 -0.221 0.000 1.150 595 M CA -0.202 55.070 55.300 -0.047 0.000 1.016 595 M CB 1.809 34.485 32.600 0.127 0.000 1.672 595 M HN 0.678 nan 8.290 nan 0.000 0.448 596 W N 3.186 124.527 121.300 0.068 0.000 2.471 596 W HA 0.397 5.059 4.660 0.002 0.000 0.318 596 W C -0.987 175.705 176.519 0.289 0.000 1.034 596 W CA -0.204 57.217 57.345 0.127 0.000 1.224 596 W CB 0.706 30.200 29.460 0.057 0.000 1.335 596 W HN 0.573 nan 8.180 nan 0.000 0.452 597 H N 2.201 121.457 119.070 0.309 0.000 2.589 597 H HA 0.616 5.173 4.556 0.002 0.000 0.335 597 H C -1.211 174.281 175.328 0.273 0.000 1.019 597 H CA -0.857 55.297 56.048 0.178 0.000 1.213 597 H CB 1.156 30.808 29.762 -0.184 0.000 1.472 597 H HN 0.195 nan 8.280 nan 0.000 0.508 598 V N 6.588 126.464 119.914 -0.063 0.000 2.406 598 V HA 0.272 4.393 4.120 0.002 0.000 0.272 598 V C -0.200 175.751 176.094 -0.239 0.000 1.043 598 V CA -0.671 61.652 62.300 0.039 0.000 0.915 598 V CB 1.110 33.109 31.823 0.294 0.000 0.988 598 V HN 0.573 nan 8.190 nan 0.000 0.466 599 V N 4.413 124.310 119.914 -0.028 0.000 2.417 599 V HA 0.895 5.016 4.120 0.002 0.000 0.291 599 V C 0.582 176.764 176.094 0.148 0.000 1.024 599 V CA -0.083 62.222 62.300 0.007 0.000 0.861 599 V CB 1.479 33.374 31.823 0.119 0.000 0.985 599 V HN 1.001 nan 8.190 nan 0.000 0.436 600 G N 3.939 112.696 108.800 -0.070 0.000 2.672 600 G HA2 0.838 4.799 3.960 0.002 0.000 0.292 600 G HA3 0.838 4.799 3.960 0.002 0.000 0.292 600 G C -1.657 172.989 174.900 -0.423 0.000 1.375 600 G CA -0.619 44.254 45.100 -0.379 0.000 0.890 600 G HN 0.552 nan 8.290 nan 0.000 0.476 601 I N 0.648 120.912 120.570 -0.510 0.000 2.569 601 I HA 0.300 4.471 4.170 0.002 0.000 0.290 601 I C -0.944 174.908 176.117 -0.442 0.000 1.088 601 I CA -0.900 60.162 61.300 -0.397 0.000 1.047 601 I CB 2.473 40.327 38.000 -0.243 0.000 1.237 601 I HN 0.382 nan 8.210 nan 0.000 0.421 602 H N 4.856 123.785 119.070 -0.235 0.000 2.640 602 H HA 0.233 4.790 4.556 0.002 0.000 0.297 602 H C -0.817 174.416 175.328 -0.157 0.000 1.073 602 H CA -0.227 55.692 56.048 -0.215 0.000 1.305 602 H CB 0.761 30.417 29.762 -0.177 0.000 1.404 602 H HN 0.583 nan 8.280 nan 0.000 0.459 603 H N 3.520 122.436 119.070 -0.257 0.000 2.690 603 H HA 0.285 4.842 4.556 0.002 0.000 0.289 603 H C -0.790 174.399 175.328 -0.231 0.000 1.089 603 H CA -0.747 55.116 56.048 -0.308 0.000 1.299 603 H CB 0.467 29.928 29.762 -0.501 0.000 1.405 603 H HN 0.257 nan 8.280 nan 0.000 0.463 604 V N 8.421 128.433 119.914 0.163 0.000 2.304 604 V HA 0.177 4.298 4.120 0.002 0.000 0.269 604 V C -1.947 174.263 176.094 0.192 0.000 1.036 604 V CA -1.618 60.755 62.300 0.122 0.000 0.840 604 V CB 0.522 32.349 31.823 0.007 0.000 1.036 604 V HN 0.811 nan 8.190 nan 0.000 0.466 605 P HA 0.409 nan 4.420 nan 0.000 0.269 605 P C -0.438 176.937 177.300 0.125 0.000 1.215 605 P CA 0.153 63.288 63.100 0.059 0.000 0.780 605 P CB 0.761 32.427 31.700 -0.056 0.000 0.898 606 A N 1.356 124.264 122.820 0.146 0.000 2.527 606 A HA 0.300 4.621 4.320 0.002 0.000 0.293 606 A C 0.663 178.313 177.584 0.110 0.000 1.117 606 A CA -0.516 51.585 52.037 0.108 0.000 0.723 606 A CB 1.105 20.167 19.000 0.103 0.000 1.313 606 A HN 0.504 nan 8.150 nan 0.000 0.411 607 Q N -0.221 119.628 119.800 0.081 0.000 2.437 607 Q HA -0.142 4.199 4.340 0.002 0.000 0.210 607 Q C 0.615 176.711 176.000 0.159 0.000 0.972 607 Q CA 1.602 57.464 55.803 0.099 0.000 0.903 607 Q CB 0.037 28.806 28.738 0.052 0.000 0.967 607 Q HN 0.807 nan 8.270 nan 0.000 0.486 608 E N 0.714 120.990 120.200 0.127 0.000 2.285 608 E HA -0.116 4.235 4.350 0.002 0.000 0.194 608 E C 1.051 177.730 176.600 0.131 0.000 0.997 608 E CA 0.679 57.149 56.400 0.116 0.000 0.845 608 E CB 0.102 29.848 29.700 0.077 0.000 0.782 608 E HN 0.262 nan 8.360 nan 0.000 0.491 609 D N -0.417 120.081 120.400 0.163 0.000 2.310 609 D HA -0.079 4.562 4.640 0.002 0.000 0.212 609 D C -0.174 176.242 176.300 0.194 0.000 0.965 609 D CA 0.583 54.689 54.000 0.177 0.000 0.879 609 D CB 0.011 40.959 40.800 0.247 0.000 0.921 609 D HN 0.106 nan 8.370 nan 0.000 0.510 610 F N 1.167 121.154 119.950 0.062 0.000 2.450 610 F HA 0.317 4.845 4.527 0.002 0.000 0.332 610 F C -1.714 174.123 175.800 0.062 0.000 1.093 610 F CA -2.268 55.769 58.000 0.060 0.000 1.003 610 F CB 1.996 41.030 39.000 0.057 0.000 1.151 610 F HN -0.275 nan 8.300 nan 0.000 0.474 611 P HA 0.139 nan 4.420 nan 0.000 0.245 611 P C -0.310 176.751 177.300 -0.400 0.000 1.206 611 P CA 0.871 63.299 63.100 -1.121 0.000 0.781 611 P CB 0.907 32.103 31.700 -0.839 0.000 0.994 612 I N -0.546 119.903 120.570 -0.203 0.000 2.865 612 I HA 0.430 4.601 4.170 0.002 0.000 0.302 612 I C -1.184 174.894 176.117 -0.064 0.000 1.140 612 I CA -1.835 59.377 61.300 -0.147 0.000 1.021 612 I CB 2.890 40.769 38.000 -0.203 0.000 1.233 612 I HN -0.296 nan 8.210 nan 0.000 0.427 613 M N 8.601 128.169 119.600 -0.054 0.000 2.227 613 M HA 0.625 5.106 4.480 0.002 0.000 0.335 613 M C -2.600 173.686 176.300 -0.024 0.000 1.053 613 M CA -1.573 53.724 55.300 -0.006 0.000 0.973 613 M CB 1.642 34.263 32.600 0.036 0.000 1.623 613 M HN 0.201 nan 8.290 nan 0.000 0.434 614 P HA 0.028 nan 4.420 nan 0.000 0.264 614 P C -0.669 176.608 177.300 -0.038 0.000 1.183 614 P CA -0.345 62.744 63.100 -0.018 0.000 0.763 614 P CB 0.253 31.951 31.700 -0.003 0.000 0.807 615 L N 3.317 124.515 121.223 -0.042 0.000 2.573 615 L HA -0.003 4.338 4.340 0.002 0.000 0.290 615 L C 0.076 176.902 176.870 -0.073 0.000 1.247 615 L CA 0.767 55.572 54.840 -0.058 0.000 0.876 615 L CB -0.398 41.633 42.059 -0.046 0.000 1.123 615 L HN 0.294 nan 8.230 nan 0.000 0.505 616 L N 4.198 125.360 121.223 -0.102 0.000 2.404 616 L HA 0.556 4.897 4.340 0.002 0.000 0.272 616 L C -0.495 176.300 176.870 -0.126 0.000 0.980 616 L CA 0.334 55.099 54.840 -0.125 0.000 0.836 616 L CB 1.780 43.729 42.059 -0.184 0.000 1.238 616 L HN 0.582 nan 8.230 nan 0.000 0.408 617 S N 2.753 118.390 115.700 -0.104 0.000 2.621 617 S HA 0.864 5.335 4.470 0.002 0.000 0.302 617 S C -0.659 173.880 174.600 -0.102 0.000 1.093 617 S CA -0.206 57.934 58.200 -0.101 0.000 1.017 617 S CB 1.494 64.648 63.200 -0.077 0.000 1.077 617 S HN 0.844 nan 8.310 nan 0.000 0.517 618 T N 1.095 115.584 114.554 -0.108 0.000 2.894 618 T HA 0.686 5.037 4.350 0.002 0.000 0.309 618 T C -1.448 173.205 174.700 -0.080 0.000 1.208 618 T CA -0.384 61.666 62.100 -0.084 0.000 1.016 618 T CB 1.618 70.436 68.868 -0.083 0.000 1.192 618 T HN 0.557 nan 8.240 nan 0.000 0.491 619 S N 1.532 117.210 115.700 -0.037 0.000 2.550 619 S HA 0.859 5.331 4.470 0.002 0.000 0.270 619 S C -1.782 172.835 174.600 0.028 0.000 1.145 619 S CA -0.722 57.427 58.200 -0.085 0.000 0.852 619 S CB 0.784 63.919 63.200 -0.109 0.000 1.119 619 S HN 0.715 nan 8.310 nan 0.000 0.465 620 F N 0.761 120.604 119.950 -0.177 0.000 2.650 620 F HA 0.874 5.402 4.527 0.002 0.000 0.320 620 F C -0.629 175.075 175.800 -0.161 0.000 1.091 620 F CA -0.926 56.990 58.000 -0.140 0.000 0.962 620 F CB 1.180 40.113 39.000 -0.112 0.000 1.363 620 F HN 0.571 nan 8.300 nan 0.000 0.482 621 E N 1.295 121.538 120.200 0.072 0.000 2.293 621 E HA 0.613 4.964 4.350 0.002 0.000 0.270 621 E C -2.068 174.586 176.600 0.090 0.000 0.879 621 E CA -0.926 55.450 56.400 -0.040 0.000 0.756 621 E CB 2.165 31.853 29.700 -0.020 0.000 1.208 621 E HN 0.835 nan 8.360 nan 0.000 0.428 622 L N 4.195 125.473 121.223 0.092 0.000 2.295 622 L HA 0.551 4.892 4.340 0.002 0.000 0.281 622 L C -0.102 176.931 176.870 0.273 0.000 1.018 622 L CA -0.620 54.377 54.840 0.262 0.000 0.841 622 L CB 1.219 43.505 42.059 0.378 0.000 1.218 622 L HN 0.375 nan 8.230 nan 0.000 0.424 623 R N 4.843 125.414 120.500 0.119 0.000 2.387 623 R HA 0.503 4.844 4.340 0.002 0.000 0.314 623 R C -2.557 173.464 176.300 -0.465 0.000 0.958 623 R CA -1.749 54.300 56.100 -0.085 0.000 0.846 623 R CB 1.554 31.834 30.300 -0.033 0.000 1.147 623 R HN 0.180 nan 8.270 nan 0.000 0.447 624 P HA -0.011 nan 4.420 nan 0.000 0.263 624 P C -1.062 176.054 177.300 -0.307 0.000 1.175 624 P CA 0.288 62.843 63.100 -0.908 0.000 0.761 624 P CB 0.716 32.175 31.700 -0.401 0.000 0.794 625 T N 3.757 118.201 114.554 -0.183 0.000 3.103 625 T HA 0.215 4.566 4.350 0.002 0.000 0.352 625 T C -0.145 174.563 174.700 0.013 0.000 1.048 625 T CA -0.440 61.627 62.100 -0.054 0.000 1.175 625 T CB -0.412 68.419 68.868 -0.060 0.000 1.029 625 T HN 0.425 nan 8.240 nan 0.000 0.498 626 N N 0.525 119.251 118.700 0.042 0.000 2.829 626 N HA -0.174 4.568 4.740 0.002 0.000 0.250 626 N C 0.368 175.910 175.510 0.054 0.000 1.090 626 N CA 0.526 53.600 53.050 0.041 0.000 0.781 626 N CB -1.478 37.017 38.487 0.012 0.000 1.124 626 N HN 0.596 nan 8.380 nan 0.000 0.559 627 F N 0.444 120.326 119.950 -0.113 0.000 2.149 627 F HA 0.196 4.724 4.527 0.002 0.000 0.294 627 F C 0.739 176.337 175.800 -0.338 0.000 1.095 627 F CA 0.945 58.793 58.000 -0.253 0.000 1.276 627 F CB 0.157 38.915 39.000 -0.403 0.000 1.023 627 F HN -0.026 nan 8.300 nan 0.000 0.480 628 F N 0.269 120.278 119.950 0.099 0.000 2.432 628 F HA 0.309 4.837 4.527 0.002 0.000 0.329 628 F C 1.531 177.298 175.800 -0.056 0.000 1.076 628 F CA -0.786 57.203 58.000 -0.018 0.000 1.018 628 F CB 0.679 39.697 39.000 0.031 0.000 1.201 628 F HN -0.294 nan 8.300 nan 0.000 0.489 629 E N 0.943 121.210 120.200 0.112 0.000 2.077 629 E HA -0.132 4.219 4.350 0.002 0.000 0.193 629 E C 0.340 176.952 176.600 0.020 0.000 0.989 629 E CA 1.203 57.618 56.400 0.025 0.000 0.800 629 E CB 0.177 29.871 29.700 -0.011 0.000 0.746 629 E HN 0.634 nan 8.360 nan 0.000 0.452 630 R N -1.424 119.092 120.500 0.027 0.000 2.781 630 R HA 0.314 4.655 4.340 0.002 0.000 0.268 630 R C -0.640 175.623 176.300 -0.062 0.000 1.047 630 R CA -0.823 55.260 56.100 -0.029 0.000 0.925 630 R CB -0.171 30.090 30.300 -0.065 0.000 1.246 630 R HN -0.174 nan 8.270 nan 0.000 0.456 631 N N 2.463 121.088 118.700 -0.125 0.000 2.160 631 N HA -0.061 4.680 4.740 0.002 0.000 0.283 631 N C -1.409 173.970 175.510 -0.219 0.000 1.363 631 N CA -0.884 52.055 53.050 -0.185 0.000 0.848 631 N CB 0.617 38.941 38.487 -0.273 0.000 1.127 631 N HN 0.457 nan 8.380 nan 0.000 0.493 632 P HA -0.092 nan 4.420 nan 0.000 0.225 632 P C 0.783 177.920 177.300 -0.270 0.000 1.156 632 P CA 0.802 63.588 63.100 -0.523 0.000 0.787 632 P CB 0.129 31.052 31.700 -1.295 0.000 0.802 633 V N -3.438 116.408 119.914 -0.113 0.000 3.249 633 V HA 0.165 4.286 4.120 0.002 0.000 0.338 633 V C 1.857 178.103 176.094 0.253 0.000 1.363 633 V CA -0.172 62.175 62.300 0.078 0.000 1.205 633 V CB -0.951 30.969 31.823 0.162 0.000 1.164 633 V HN -0.138 nan 8.190 nan 0.000 0.458 634 L N 0.747 122.003 121.223 0.054 0.000 2.131 634 L HA 0.070 4.411 4.340 0.002 0.000 0.210 634 L C 1.944 178.941 176.870 0.212 0.000 1.092 634 L CA 1.807 56.681 54.840 0.057 0.000 0.759 634 L CB -0.363 41.626 42.059 -0.118 0.000 0.903 634 L HN 0.273 nan 8.230 nan 0.000 0.435 635 K N -0.208 120.265 120.400 0.123 0.000 2.498 635 K HA 0.282 4.603 4.320 0.002 0.000 0.207 635 K C -0.077 176.576 176.600 0.089 0.000 1.033 635 K CA 0.015 56.364 56.287 0.103 0.000 1.138 635 K CB -0.103 32.426 32.500 0.049 0.000 0.860 635 K HN 0.201 nan 8.250 nan 0.000 0.490 636 T N 2.096 116.721 114.554 0.119 0.000 2.799 636 T HA 0.415 4.766 4.350 0.002 0.000 0.286 636 T C 0.432 175.139 174.700 0.010 0.000 0.973 636 T CA -0.504 61.626 62.100 0.050 0.000 1.035 636 T CB 1.345 70.237 68.868 0.039 0.000 0.932 636 T HN 0.020 nan 8.240 nan 0.000 0.469 637 L N 2.324 123.539 121.223 -0.013 0.000 2.334 637 L HA 0.377 4.718 4.340 0.002 0.000 0.277 637 L C 0.929 177.768 176.870 -0.050 0.000 1.075 637 L CA -0.874 53.944 54.840 -0.036 0.000 0.804 637 L CB 0.983 43.035 42.059 -0.013 0.000 1.174 637 L HN 0.617 nan 8.230 nan 0.000 0.438 638 S N 2.813 118.468 115.700 -0.075 0.000 2.559 638 S HA 0.098 4.569 4.470 0.002 0.000 0.282 638 S C -1.978 172.623 174.600 0.001 0.000 1.336 638 S CA -0.737 57.432 58.200 -0.051 0.000 1.037 638 S CB -0.049 63.113 63.200 -0.063 0.000 0.853 638 S HN 0.469 nan 8.310 nan 0.000 0.523 639 P HA 0.200 nan 4.420 nan 0.000 0.274 639 P C -0.514 176.824 177.300 0.063 0.000 1.231 639 P CA -0.393 62.758 63.100 0.085 0.000 0.790 639 P CB 0.524 32.343 31.700 0.198 0.000 0.951 640 R N 1.385 121.914 120.500 0.048 0.000 2.570 640 R HA 0.101 4.442 4.340 0.002 0.000 0.277 640 R C 0.257 176.577 176.300 0.034 0.000 1.039 640 R CA 0.178 56.297 56.100 0.032 0.000 1.065 640 R CB 0.091 30.405 30.300 0.024 0.000 0.964 640 R HN 0.455 nan 8.270 nan 0.000 0.428 641 D N 2.815 123.230 120.400 0.026 0.000 2.313 641 D HA 0.138 4.779 4.640 0.002 0.000 0.239 641 D C -0.660 175.655 176.300 0.025 0.000 1.142 641 D CA -0.067 53.947 54.000 0.023 0.000 0.847 641 D CB 1.472 42.285 40.800 0.022 0.000 1.082 641 D HN 0.083 nan 8.370 nan 0.000 0.480 642 V N 2.257 122.187 119.914 0.027 0.000 2.472 642 V HA 0.476 4.597 4.120 0.002 0.000 0.290 642 V C 0.578 176.707 176.094 0.058 0.000 1.037 642 V CA -0.931 61.391 62.300 0.036 0.000 0.908 642 V CB 1.609 33.454 31.823 0.037 0.000 0.985 642 V HN 0.615 nan 8.190 nan 0.000 0.454 643 A N 3.974 126.829 122.820 0.058 0.000 2.371 643 A HA 0.371 4.692 4.320 0.002 0.000 0.257 643 A C -0.528 177.132 177.584 0.127 0.000 1.089 643 A CA -0.383 51.712 52.037 0.096 0.000 0.794 643 A CB 0.068 19.116 19.000 0.079 0.000 1.029 643 A HN 0.970 nan 8.150 nan 0.000 0.488 644 W N 5.098 126.391 121.300 -0.011 0.000 2.347 644 W HA 0.268 4.927 4.660 -0.001 0.000 0.333 644 W C -1.057 175.449 176.519 -0.021 0.000 1.383 644 W CA -0.817 56.518 57.345 -0.017 0.000 1.283 644 W CB 0.256 29.705 29.460 -0.018 0.000 1.253 644 W HN 0.699 nan 8.180 nan 0.000 0.563 645 P HA -0.010 nan 4.420 nan 0.000 0.215 645 P C 0.361 177.080 177.300 -0.968 0.000 1.163 645 P CA 2.159 64.858 63.100 -0.669 0.000 0.894 645 P CB -0.104 31.227 31.700 -0.617 0.000 0.791 646 G N -1.698 105.865 108.800 -2.061 0.000 2.428 646 G HA2 -0.039 3.922 3.960 0.002 0.000 0.681 646 G HA3 -0.039 3.922 3.960 0.002 0.000 0.681 646 G C -0.433 173.944 174.900 -0.872 0.000 1.340 646 G CA -0.624 43.457 45.100 -1.699 0.000 0.915 646 G HN 0.392 nan 8.290 nan 0.000 0.645 647 C N 0.000 119.138 119.300 -0.270 0.000 2.653 647 C HA 0.000 4.461 4.460 0.002 0.000 0.325 647 C CA 0.000 59.024 59.018 0.010 0.000 1.963 647 C CB 0.000 27.838 27.740 0.163 0.000 2.134 647 C HN 0.000 nan 8.230 nan 0.000 0.568