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 3ezp_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QXXXXXXXDS IEYGLGYNCP ATEGIFDYAA DATA SEQUENCE AIGGATITAA QCLIDGMCKV AINWSGGWHH AKKDEASGFC YLNDAVLGIL DATA SEQUENCE RLRRKFERIL YVDLDLHHGD GVEDAFSFTS KVMTVSLHKF SPGFFPGTGD DATA SEQUENCE VSDVGLGKGR YYSVNVPIQD GIQDEKYYQI CESVLKEVYQ AFNPKAVVLQ DATA SEQUENCE LGADTIAGDP MCSFNMTPVG IGKCLKYILQ WQLATLILGG GGYNLANTAR DATA SEQUENCE CWTYLTGVIL GKTLSSEIPD HEFFTAYGPD YVLEITPSCR PDRNEPHRIQ DATA SEQUENCE QILNYIKGNL KHVV 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.873 176.870 0.006 0.000 1.165 14 L CA 0.000 54.845 54.840 0.009 0.000 0.813 14 L CB 0.000 42.063 42.059 0.007 0.000 0.961 15 V N 3.503 123.422 119.914 0.007 0.000 2.394 15 V HA 0.546 4.844 4.120 0.297 0.000 0.282 15 V C -1.952 174.149 176.094 0.012 0.000 1.031 15 V CA -1.555 60.749 62.300 0.007 0.000 0.881 15 V CB 1.445 33.273 31.823 0.008 0.000 0.982 15 V HN 0.108 nan 8.190 nan 0.000 0.451 16 P HA 0.006 nan 4.420 nan 0.000 0.260 16 P C -0.680 176.643 177.300 0.038 0.000 1.172 16 P CA 0.379 63.485 63.100 0.011 0.000 0.760 16 P CB 0.315 32.018 31.700 0.004 0.000 0.773 17 V N 5.331 125.263 119.914 0.031 0.000 2.498 17 V HA 0.116 4.414 4.120 0.297 0.000 0.279 17 V C -0.207 175.948 176.094 0.101 0.000 1.048 17 V CA -0.078 62.255 62.300 0.056 0.000 0.967 17 V CB 0.287 32.118 31.823 0.013 0.000 0.988 17 V HN 0.425 nan 8.190 nan 0.000 0.473 18 Y N 5.350 125.656 120.300 0.011 0.000 2.345 18 Y HA 0.541 5.269 4.550 0.297 0.000 0.331 18 Y C -0.184 175.765 175.900 0.082 0.000 0.959 18 Y CA -0.968 57.156 58.100 0.039 0.000 1.204 18 Y CB 1.222 39.750 38.460 0.114 0.000 1.135 18 Y HN 0.529 nan 8.280 nan 0.000 0.477 19 I N 8.444 128.851 120.570 -0.272 0.000 2.372 19 I HA 0.077 4.425 4.170 0.297 0.000 0.298 19 I C -0.809 175.190 176.117 -0.198 0.000 1.137 19 I CA 0.127 61.293 61.300 -0.223 0.000 1.314 19 I CB -0.966 36.889 38.000 -0.241 0.000 1.444 19 I HN 0.512 nan 8.210 nan 0.000 0.541 20 Y N 5.627 125.815 120.300 -0.186 0.000 2.588 20 Y HA 0.787 5.516 4.550 0.299 0.000 0.343 20 Y C -0.639 175.286 175.900 0.042 0.000 1.065 20 Y CA -1.186 56.888 58.100 -0.043 0.000 1.038 20 Y CB 2.043 40.519 38.460 0.027 0.000 1.297 20 Y HN 0.453 nan 8.280 nan 0.000 0.467 21 S N 4.196 119.141 115.700 -1.259 0.000 2.602 21 S HA 0.311 4.959 4.470 0.297 0.000 0.301 21 S C -3.003 171.108 174.600 -0.816 0.000 1.091 21 S CA -0.882 56.760 58.200 -0.931 0.000 0.895 21 S CB 1.577 64.573 63.200 -0.339 0.000 1.090 21 S HN 0.351 nan 8.310 nan 0.000 0.449 22 P HA -0.110 nan 4.420 nan 0.000 0.216 22 P C 0.978 178.246 177.300 -0.052 0.000 1.150 22 P CA 1.636 64.649 63.100 -0.145 0.000 0.843 22 P CB 0.077 31.767 31.700 -0.016 0.000 0.787 23 E N -1.993 118.174 120.200 -0.056 0.000 2.106 23 E HA -0.186 4.342 4.350 0.297 0.000 0.192 23 E C 1.948 178.586 176.600 0.063 0.000 0.984 23 E CA 0.994 57.398 56.400 0.007 0.000 0.806 23 E CB -1.095 28.604 29.700 -0.001 0.000 0.750 23 E HN 0.430 nan 8.360 nan 0.000 0.458 24 Y N 0.529 120.761 120.300 -0.113 0.000 2.084 24 Y HA -0.255 4.473 4.550 0.298 0.000 0.279 24 Y C 2.178 178.077 175.900 -0.002 0.000 1.119 24 Y CA 1.077 59.129 58.100 -0.081 0.000 1.101 24 Y CB -0.220 38.150 38.460 -0.149 0.000 0.989 24 Y HN -0.156 nan 8.280 nan 0.000 0.484 25 V N -0.022 119.810 119.914 -0.137 0.000 2.317 25 V HA -0.366 3.932 4.120 0.297 0.000 0.251 25 V C 2.629 178.705 176.094 -0.031 0.000 1.065 25 V CA 2.212 64.436 62.300 -0.126 0.000 1.049 25 V CB -1.030 30.853 31.823 0.100 0.000 0.651 25 V HN 0.586 nan 8.190 nan 0.000 0.450 26 S N -0.978 114.736 115.700 0.023 0.000 2.399 26 S HA -0.251 4.397 4.470 0.297 0.000 0.231 26 S C 1.913 176.533 174.600 0.034 0.000 1.022 26 S CA 2.098 60.325 58.200 0.045 0.000 0.983 26 S CB -0.279 62.952 63.200 0.052 0.000 0.803 26 S HN 0.525 nan 8.310 nan 0.000 0.480 27 M N 0.890 120.519 119.600 0.048 0.000 2.132 27 M HA 0.038 4.696 4.480 0.297 0.000 0.263 27 M C 2.129 178.526 176.300 0.162 0.000 1.065 27 M CA 1.677 57.043 55.300 0.110 0.000 1.122 27 M CB -0.880 31.833 32.600 0.188 0.000 1.365 27 M HN 0.449 nan 8.290 nan 0.000 0.411 28 C N 0.761 120.144 119.300 0.139 0.000 2.435 28 C HA -0.072 4.566 4.460 0.297 0.000 0.279 28 C C 1.956 177.004 174.990 0.097 0.000 1.321 28 C CA 0.768 59.949 59.018 0.272 0.000 1.752 28 C CB -1.367 26.351 27.740 -0.037 0.000 1.959 28 C HN 0.537 nan 8.230 nan 0.000 0.500 29 D N 1.109 121.523 120.400 0.024 0.000 2.351 29 D HA -0.059 4.759 4.640 0.297 0.000 0.216 29 D C 1.934 178.205 176.300 -0.049 0.000 0.968 29 D CA 0.882 54.887 54.000 0.008 0.000 0.899 29 D CB -0.227 40.592 40.800 0.033 0.000 0.907 29 D HN 0.450 nan 8.370 nan 0.000 0.514 30 S N -0.188 115.432 115.700 -0.132 0.000 2.593 30 S HA 0.051 4.700 4.470 0.297 0.000 0.217 30 S C 0.776 175.164 174.600 -0.353 0.000 0.966 30 S CA -0.384 57.685 58.200 -0.218 0.000 0.914 30 S CB 0.595 63.657 63.200 -0.229 0.000 0.776 30 S HN 0.171 nan 8.310 nan 0.000 0.523 31 L N 2.765 123.766 121.223 -0.370 0.000 2.410 31 L HA 0.254 4.772 4.340 0.297 0.000 0.273 31 L C 1.507 178.318 176.870 -0.099 0.000 1.144 31 L CA 0.016 54.707 54.840 -0.249 0.000 0.863 31 L CB 0.033 42.189 42.059 0.163 0.000 1.140 31 L HN 0.210 nan 8.230 nan 0.000 0.463 32 A N 6.481 129.237 122.820 -0.107 0.000 1.859 32 A HA -0.217 4.281 4.320 0.297 0.000 0.218 32 A C 1.942 179.449 177.584 -0.128 0.000 1.209 32 A CA 1.661 53.627 52.037 -0.118 0.000 0.639 32 A CB -0.290 18.625 19.000 -0.141 0.000 0.835 32 A HN 0.782 nan 8.150 nan 0.000 0.450 33 K N 0.005 120.293 120.400 -0.186 0.000 2.152 33 K HA -0.089 4.409 4.320 0.297 0.000 0.206 33 K C 1.098 177.697 176.600 -0.002 0.000 1.048 33 K CA 1.448 57.622 56.287 -0.188 0.000 0.933 33 K CB -0.692 31.585 32.500 -0.372 0.000 0.721 33 K HN 0.848 nan 8.250 nan 0.000 0.447 34 I N -0.065 120.529 120.570 0.041 0.000 2.934 34 I HA 0.266 4.614 4.170 0.297 0.000 0.312 34 I C -2.619 173.508 176.117 0.017 0.000 1.342 34 I CA -2.324 59.008 61.300 0.054 0.000 0.946 34 I CB 1.067 39.128 38.000 0.103 0.000 2.034 34 I HN -0.271 nan 8.210 nan 0.000 0.604 35 P HA 0.024 nan 4.420 nan 0.000 0.262 35 P C -0.030 177.254 177.300 -0.027 0.000 1.199 35 P CA 0.293 63.380 63.100 -0.021 0.000 0.763 35 P CB 1.213 32.898 31.700 -0.025 0.000 0.790 36 K N 1.336 121.727 120.400 -0.015 0.000 3.529 36 K HA -0.220 4.278 4.320 0.297 0.000 0.313 36 K C 1.501 178.030 176.600 -0.119 0.000 1.316 36 K CA 1.397 57.662 56.287 -0.036 0.000 0.988 36 K CB -1.925 30.565 32.500 -0.017 0.000 1.252 36 K HN 0.485 nan 8.250 nan 0.000 0.438 37 R N 0.147 120.603 120.500 -0.073 0.000 2.096 37 R HA -0.070 4.448 4.340 0.297 0.000 0.235 37 R C 1.992 178.283 176.300 -0.014 0.000 1.127 37 R CA 1.647 57.697 56.100 -0.082 0.000 0.968 37 R CB -0.191 30.088 30.300 -0.035 0.000 0.861 37 R HN 0.346 nan 8.270 nan 0.000 0.440 38 A N -0.021 122.826 122.820 0.044 0.000 1.902 38 A HA -0.136 4.362 4.320 0.297 0.000 0.217 38 A C 2.200 179.852 177.584 0.113 0.000 1.181 38 A CA 1.885 53.976 52.037 0.091 0.000 0.623 38 A CB -0.537 18.485 19.000 0.037 0.000 0.818 38 A HN 0.393 nan 8.150 nan 0.000 0.443 39 S N -0.394 115.350 115.700 0.072 0.000 2.356 39 S HA -0.161 4.487 4.470 0.297 0.000 0.223 39 S C 2.055 176.700 174.600 0.075 0.000 1.032 39 S CA 1.780 60.078 58.200 0.162 0.000 1.005 39 S CB -0.425 62.922 63.200 0.245 0.000 0.867 39 S HN 0.573 nan 8.310 nan 0.000 0.449 40 M N 0.687 120.111 119.600 -0.292 0.000 2.108 40 M HA -0.115 4.543 4.480 0.297 0.000 0.261 40 M C 2.149 178.459 176.300 0.016 0.000 1.066 40 M CA 1.285 56.390 55.300 -0.326 0.000 1.107 40 M CB -0.761 31.570 32.600 -0.449 0.000 1.356 40 M HN 0.171 nan 8.290 nan 0.000 0.406 41 V N -0.548 119.395 119.914 0.050 0.000 2.295 41 V HA -0.287 4.011 4.120 0.297 0.000 0.246 41 V C 2.267 178.461 176.094 0.167 0.000 1.049 41 V CA 2.379 64.749 62.300 0.117 0.000 1.024 41 V CB -1.004 30.956 31.823 0.229 0.000 0.648 41 V HN 0.472 nan 8.190 nan 0.000 0.447 42 H N 1.556 120.710 119.070 0.140 0.000 2.256 42 H HA -0.168 4.567 4.556 0.298 0.000 0.299 42 H C 2.528 177.869 175.328 0.021 0.000 1.071 42 H CA 2.328 58.446 56.048 0.117 0.000 1.280 42 H CB -0.431 29.377 29.762 0.076 0.000 1.370 42 H HN 0.490 nan 8.280 nan 0.000 0.490 43 S N -0.129 115.583 115.700 0.019 0.000 2.420 43 S HA -0.180 4.468 4.470 0.297 0.000 0.237 43 S C 2.198 176.683 174.600 -0.192 0.000 1.023 43 S CA 1.416 59.604 58.200 -0.019 0.000 0.991 43 S CB -0.655 62.786 63.200 0.402 0.000 0.792 43 S HN 0.398 nan 8.310 nan 0.000 0.488 44 L N 1.155 122.289 121.223 -0.147 0.000 2.095 44 L HA 0.325 4.843 4.340 0.297 0.000 0.204 44 L C 2.229 179.046 176.870 -0.088 0.000 1.080 44 L CA 1.277 55.967 54.840 -0.250 0.000 0.759 44 L CB -0.494 41.529 42.059 -0.060 0.000 0.914 44 L HN 0.319 nan 8.230 nan 0.000 0.439 45 I N -0.220 120.289 120.570 -0.102 0.000 2.286 45 I HA -0.278 4.070 4.170 0.297 0.000 0.248 45 I C 2.465 178.448 176.117 -0.224 0.000 1.115 45 I CA 1.702 62.940 61.300 -0.103 0.000 1.392 45 I CB -0.259 37.699 38.000 -0.070 0.000 1.065 45 I HN 0.479 nan 8.210 nan 0.000 0.418 46 E N 1.573 121.488 120.200 -0.474 0.000 2.158 46 E HA -0.151 4.378 4.350 0.297 0.000 0.191 46 E C 2.138 178.508 176.600 -0.384 0.000 0.982 46 E CA 0.968 56.931 56.400 -0.728 0.000 0.823 46 E CB 0.001 29.097 29.700 -1.005 0.000 0.766 46 E HN 0.425 nan 8.360 nan 0.000 0.468 47 A N -0.142 122.502 122.820 -0.293 0.000 2.172 47 A HA -0.083 4.415 4.320 0.297 0.000 0.216 47 A C 1.026 178.448 177.584 -0.271 0.000 1.154 47 A CA 0.605 52.479 52.037 -0.272 0.000 0.701 47 A CB -0.444 18.308 19.000 -0.413 0.000 0.789 47 A HN 0.433 nan 8.150 nan 0.000 0.465 48 Y N -1.538 118.662 120.300 -0.166 0.000 2.458 48 Y HA 0.398 5.130 4.550 0.303 0.000 0.256 48 Y C 1.487 177.363 175.900 -0.041 0.000 1.159 48 Y CA 0.040 58.083 58.100 -0.095 0.000 1.261 48 Y CB 0.136 38.539 38.460 -0.094 0.000 1.119 48 Y HN 0.425 nan 8.280 nan 0.000 0.524 49 A N 0.113 122.996 122.820 0.106 0.000 2.799 49 A HA -0.260 4.238 4.320 0.297 0.000 0.287 49 A C 1.079 178.789 177.584 0.210 0.000 1.484 49 A CA 1.177 53.349 52.037 0.225 0.000 0.813 49 A CB -2.095 16.975 19.000 0.116 0.000 1.009 49 A HN 0.578 nan 8.150 nan 0.000 0.545 50 L N -0.542 120.784 121.223 0.172 0.000 2.418 50 L HA -0.052 4.466 4.340 0.297 0.000 0.218 50 L C 2.442 179.335 176.870 0.037 0.000 1.125 50 L CA 0.942 55.817 54.840 0.059 0.000 0.835 50 L CB -0.480 41.572 42.059 -0.012 0.000 0.953 50 L HN 0.874 nan 8.230 nan 0.000 0.454 51 H N -1.117 117.832 119.070 -0.203 0.000 2.559 51 H HA 0.019 4.754 4.556 0.298 0.000 0.273 51 H C 1.422 176.695 175.328 -0.091 0.000 1.000 51 H CA 0.303 56.211 56.048 -0.233 0.000 1.195 51 H CB -0.228 29.381 29.762 -0.255 0.000 1.368 51 H HN 0.139 nan 8.280 nan 0.000 0.592 52 K N 0.835 121.049 120.400 -0.310 0.000 2.305 52 K HA 0.016 4.514 4.320 0.297 0.000 0.199 52 K C 1.086 177.613 176.600 -0.121 0.000 1.047 52 K CA 0.510 56.626 56.287 -0.286 0.000 0.976 52 K CB 0.281 32.647 32.500 -0.224 0.000 0.765 52 K HN 0.590 nan 8.250 nan 0.000 0.474 53 Q N 0.009 119.766 119.800 -0.073 0.000 2.211 53 Q HA 0.316 4.835 4.340 0.297 0.000 0.231 53 Q C -0.134 175.852 176.000 -0.024 0.000 0.865 53 Q CA -0.058 55.721 55.803 -0.040 0.000 0.997 53 Q CB 0.398 29.119 28.738 -0.029 0.000 1.101 53 Q HN 0.089 nan 8.270 nan 0.000 0.468 54 M N 0.416 120.005 119.600 -0.019 0.000 2.501 54 M HA 0.378 5.036 4.480 0.297 0.000 0.293 54 M C -0.709 175.625 176.300 0.058 0.000 1.192 54 M CA -0.715 54.598 55.300 0.022 0.000 0.886 54 M CB 2.930 35.546 32.600 0.027 0.000 1.710 54 M HN -0.035 nan 8.290 nan 0.000 0.457 55 R N 2.841 123.385 120.500 0.073 0.000 2.441 55 R HA 0.267 4.785 4.340 0.297 0.000 0.300 55 R C -0.645 175.737 176.300 0.137 0.000 1.284 55 R CA -0.371 55.777 56.100 0.080 0.000 1.069 55 R CB 0.001 30.332 30.300 0.052 0.000 1.087 55 R HN 0.507 nan 8.270 nan 0.000 0.519 56 I N 5.266 125.944 120.570 0.179 0.000 2.587 56 I HA 0.012 4.360 4.170 0.297 0.000 0.284 56 I C 0.075 176.287 176.117 0.158 0.000 1.134 56 I CA 0.136 61.597 61.300 0.267 0.000 1.410 56 I CB 0.496 38.694 38.000 0.331 0.000 1.392 56 I HN 0.245 nan 8.210 nan 0.000 0.545 57 V N 7.161 127.143 119.914 0.115 0.000 2.444 57 V HA 0.274 4.572 4.120 0.297 0.000 0.294 57 V C 0.431 176.506 176.094 -0.031 0.000 1.022 57 V CA -1.143 61.173 62.300 0.026 0.000 0.850 57 V CB 1.886 33.705 31.823 -0.007 0.000 0.992 57 V HN 0.667 nan 8.190 nan 0.000 0.426 58 K N 6.962 127.330 120.400 -0.054 0.000 2.412 58 K HA 0.262 4.760 4.320 0.297 0.000 0.281 58 K C -2.222 174.274 176.600 -0.173 0.000 1.027 58 K CA -1.065 55.151 56.287 -0.118 0.000 0.989 58 K CB 0.844 33.287 32.500 -0.095 0.000 0.935 58 K HN 0.446 nan 8.250 nan 0.000 0.475 59 P HA 0.107 nan 4.420 nan 0.000 0.284 59 P C -1.415 175.722 177.300 -0.271 0.000 1.253 59 P CA -0.389 62.495 63.100 -0.361 0.000 0.800 59 P CB 1.207 32.473 31.700 -0.724 0.000 0.961 60 K N 2.627 122.896 120.400 -0.219 0.000 2.110 60 K HA 0.278 4.776 4.320 0.297 0.000 0.263 60 K C -0.851 175.651 176.600 -0.163 0.000 0.975 60 K CA -0.662 55.533 56.287 -0.154 0.000 0.895 60 K CB 1.224 33.658 32.500 -0.109 0.000 1.060 60 K HN 0.207 nan 8.250 nan 0.000 0.448 61 V N 2.871 122.712 119.914 -0.122 0.000 2.614 61 V HA 0.185 4.483 4.120 0.297 0.000 0.291 61 V C 0.520 176.557 176.094 -0.094 0.000 1.049 61 V CA -0.536 61.695 62.300 -0.116 0.000 1.038 61 V CB 0.969 32.743 31.823 -0.082 0.000 0.980 61 V HN 0.914 nan 8.190 nan 0.000 0.481 62 A N 4.421 127.176 122.820 -0.107 0.000 2.425 62 A HA 0.529 5.028 4.320 0.297 0.000 0.249 62 A C 0.680 178.240 177.584 -0.040 0.000 1.084 62 A CA 0.025 52.020 52.037 -0.071 0.000 0.781 62 A CB 0.157 19.111 19.000 -0.077 0.000 1.019 62 A HN 1.093 nan 8.150 nan 0.000 0.490 63 S N 2.084 117.783 115.700 -0.002 0.000 2.652 63 S HA 0.363 5.011 4.470 0.297 0.000 0.270 63 S C 0.896 175.537 174.600 0.068 0.000 1.243 63 S CA -0.077 58.142 58.200 0.032 0.000 0.999 63 S CB 0.716 63.934 63.200 0.029 0.000 0.973 63 S HN 0.713 nan 8.310 nan 0.000 0.544 64 M N 1.381 121.043 119.600 0.104 0.000 2.358 64 M HA -0.084 4.575 4.480 0.297 0.000 0.264 64 M C 1.823 178.185 176.300 0.103 0.000 1.064 64 M CA 1.502 56.885 55.300 0.138 0.000 1.093 64 M CB -0.573 32.102 32.600 0.126 0.000 1.401 64 M HN 0.856 nan 8.290 nan 0.000 0.440 65 E N -1.566 118.679 120.200 0.076 0.000 2.400 65 E HA -0.074 4.454 4.350 0.297 0.000 0.195 65 E C 1.355 177.999 176.600 0.072 0.000 1.012 65 E CA 0.595 57.035 56.400 0.066 0.000 0.875 65 E CB -0.411 29.317 29.700 0.047 0.000 0.859 65 E HN 0.620 nan 8.360 nan 0.000 0.498 66 E N 0.828 121.071 120.200 0.071 0.000 2.122 66 E HA 0.051 4.579 4.350 0.297 0.000 0.190 66 E C 2.117 178.785 176.600 0.113 0.000 0.977 66 E CA 0.741 57.184 56.400 0.072 0.000 0.820 66 E CB -0.021 29.706 29.700 0.043 0.000 0.770 66 E HN 0.226 nan 8.360 nan 0.000 0.462 67 M N 0.324 120.004 119.600 0.133 0.000 2.319 67 M HA -0.004 4.654 4.480 0.297 0.000 0.265 67 M C 2.255 178.712 176.300 0.261 0.000 1.068 67 M CA 0.853 56.285 55.300 0.220 0.000 1.118 67 M CB 0.004 32.716 32.600 0.187 0.000 1.395 67 M HN 0.034 nan 8.290 nan 0.000 0.435 68 A N 0.561 123.486 122.820 0.175 0.000 2.239 68 A HA -0.064 4.434 4.320 0.297 0.000 0.209 68 A C 2.100 179.753 177.584 0.114 0.000 1.171 68 A CA 1.524 53.645 52.037 0.140 0.000 0.768 68 A CB -1.083 17.974 19.000 0.095 0.000 0.790 68 A HN 0.592 nan 8.150 nan 0.000 0.478 69 T N -4.970 109.666 114.554 0.137 0.000 3.118 69 T HA 0.052 4.580 4.350 0.297 0.000 0.260 69 T C 1.043 175.841 174.700 0.165 0.000 1.139 69 T CA 1.282 63.456 62.100 0.123 0.000 1.085 69 T CB -0.240 68.698 68.868 0.117 0.000 0.934 69 T HN 0.423 nan 8.240 nan 0.000 0.518 70 F N 0.528 120.461 119.950 -0.027 0.000 2.557 70 F HA 0.356 5.061 4.527 0.297 0.000 0.300 70 F C 0.503 176.162 175.800 -0.235 0.000 0.867 70 F CA -0.801 57.094 58.000 -0.175 0.000 1.085 70 F CB 0.492 39.328 39.000 -0.273 0.000 0.907 70 F HN 0.091 nan 8.300 nan 0.000 0.700 71 H N 1.541 120.556 119.070 -0.091 0.000 2.511 71 H HA 0.315 5.049 4.556 0.297 0.000 0.346 71 H C 0.290 175.594 175.328 -0.040 0.000 1.128 71 H CA 0.481 56.458 56.048 -0.118 0.000 1.342 71 H CB 1.193 31.076 29.762 0.201 0.000 1.470 71 H HN 0.132 nan 8.280 nan 0.000 0.546 72 T N -0.466 114.126 114.554 0.064 0.000 2.913 72 T HA -0.003 4.525 4.350 0.297 0.000 0.297 72 T C 0.987 175.729 174.700 0.070 0.000 1.029 72 T CA -0.794 61.329 62.100 0.037 0.000 1.104 72 T CB 0.817 69.689 68.868 0.006 0.000 0.964 72 T HN 0.422 nan 8.240 nan 0.000 0.532 73 D N 1.938 122.359 120.400 0.036 0.000 2.149 73 D HA -0.113 4.705 4.640 0.297 0.000 0.198 73 D C 2.340 178.633 176.300 -0.013 0.000 0.990 73 D CA 1.605 55.616 54.000 0.017 0.000 0.839 73 D CB -0.572 40.236 40.800 0.014 0.000 0.948 73 D HN 0.790 nan 8.370 nan 0.000 0.460 74 A N 0.622 123.441 122.820 -0.002 0.000 1.883 74 A HA -0.241 4.257 4.320 0.297 0.000 0.217 74 A C 2.190 179.660 177.584 -0.190 0.000 1.186 74 A CA 1.369 53.402 52.037 -0.007 0.000 0.624 74 A CB -0.992 18.059 19.000 0.086 0.000 0.822 74 A HN 0.300 nan 8.150 nan 0.000 0.444 75 Y N 0.445 120.490 120.300 -0.424 0.000 2.109 75 Y HA -0.134 4.594 4.550 0.296 0.000 0.285 75 Y C 2.019 177.769 175.900 -0.250 0.000 1.131 75 Y CA 1.727 59.431 58.100 -0.660 0.000 1.121 75 Y CB -0.644 37.563 38.460 -0.420 0.000 0.987 75 Y HN 0.200 nan 8.280 nan 0.000 0.495 76 L N 0.022 121.064 121.223 -0.301 0.000 2.043 76 L HA -0.317 4.201 4.340 0.297 0.000 0.212 76 L C 2.514 179.249 176.870 -0.226 0.000 1.075 76 L CA 2.011 56.719 54.840 -0.220 0.000 0.752 76 L CB -0.665 41.407 42.059 0.022 0.000 0.891 76 L HN 0.317 nan 8.230 nan 0.000 0.432 77 Q N -1.510 118.185 119.800 -0.175 0.000 2.119 77 Q HA -0.233 4.285 4.340 0.297 0.000 0.201 77 Q C 2.053 177.953 176.000 -0.166 0.000 0.972 77 Q CA 1.519 57.214 55.803 -0.180 0.000 0.847 77 Q CB -0.180 28.500 28.738 -0.096 0.000 0.903 77 Q HN 0.558 nan 8.270 nan 0.000 0.433 78 H N 0.462 119.400 119.070 -0.221 0.000 2.357 78 H HA -0.025 4.709 4.556 0.297 0.000 0.301 78 H C 1.945 177.179 175.328 -0.156 0.000 1.082 78 H CA 1.094 57.068 56.048 -0.123 0.000 1.342 78 H CB 0.014 29.756 29.762 -0.035 0.000 1.389 78 H HN 0.144 nan 8.280 nan 0.000 0.511 79 L N 0.364 121.518 121.223 -0.115 0.000 2.079 79 L HA -0.224 4.295 4.340 0.297 0.000 0.210 79 L C 2.495 179.296 176.870 -0.115 0.000 1.081 79 L CA 1.861 56.644 54.840 -0.096 0.000 0.752 79 L CB -0.385 41.520 42.059 -0.257 0.000 0.896 79 L HN 0.535 nan 8.230 nan 0.000 0.433 80 Q N -0.134 119.457 119.800 -0.349 0.000 2.046 80 Q HA -0.231 4.287 4.340 0.297 0.000 0.200 80 Q C 2.149 177.949 176.000 -0.334 0.000 0.975 80 Q CA 1.499 56.929 55.803 -0.622 0.000 0.836 80 Q CB 0.094 28.253 28.738 -0.964 0.000 0.896 80 Q HN 0.419 nan 8.270 nan 0.000 0.428 81 K N -0.330 119.905 120.400 -0.276 0.000 2.147 81 K HA -0.101 4.397 4.320 0.297 0.000 0.205 81 K C 1.987 178.483 176.600 -0.174 0.000 1.049 81 K CA 1.318 57.478 56.287 -0.211 0.000 0.936 81 K CB 0.055 32.427 32.500 -0.213 0.000 0.722 81 K HN 0.129 nan 8.250 nan 0.000 0.446 82 V N 0.760 120.565 119.914 -0.182 0.000 2.667 82 V HA -0.159 4.140 4.120 0.297 0.000 0.252 82 V C 2.187 178.253 176.094 -0.048 0.000 1.065 82 V CA 1.477 63.715 62.300 -0.104 0.000 1.083 82 V CB -0.143 31.651 31.823 -0.048 0.000 0.692 82 V HN 0.297 nan 8.190 nan 0.000 0.468 83 S N -0.911 114.763 115.700 -0.042 0.000 2.500 83 S HA -0.092 4.556 4.470 0.297 0.000 0.239 83 S C 1.177 175.773 174.600 -0.006 0.000 0.989 83 S CA 0.696 58.900 58.200 0.006 0.000 0.951 83 S CB -0.208 63.045 63.200 0.088 0.000 0.759 83 S HN 0.618 nan 8.310 nan 0.000 0.523 93 S N 0.109 115.897 115.700 0.147 0.000 2.368 93 S HA 0.032 4.680 4.470 0.297 0.000 0.224 93 S C 1.500 176.226 174.600 0.211 0.000 1.029 93 S CA 0.479 58.820 58.200 0.236 0.000 0.988 93 S CB -0.182 63.118 63.200 0.166 0.000 0.838 93 S HN 0.342 nan 8.310 nan 0.000 0.462 94 I N 2.246 122.883 120.570 0.111 0.000 3.205 94 I HA 0.079 4.428 4.170 0.297 0.000 0.283 94 I C 1.532 177.639 176.117 -0.016 0.000 1.157 94 I CA 0.112 61.453 61.300 0.069 0.000 1.675 94 I CB -0.231 37.800 38.000 0.051 0.000 1.241 94 I HN 0.326 nan 8.210 nan 0.000 0.669 95 E N 1.642 121.790 120.200 -0.086 0.000 2.162 95 E HA -0.075 4.453 4.350 0.297 0.000 0.193 95 E C 0.421 176.721 176.600 -0.501 0.000 0.953 95 E CA 1.217 57.403 56.400 -0.357 0.000 0.849 95 E CB 0.108 29.480 29.700 -0.547 0.000 0.810 95 E HN 0.454 nan 8.360 nan 0.000 0.470 96 Y N 0.159 120.412 120.300 -0.079 0.000 2.813 96 Y HA 0.443 5.171 4.550 0.297 0.000 0.378 96 Y C 0.974 176.903 175.900 0.049 0.000 1.023 96 Y CA -0.149 57.949 58.100 -0.003 0.000 1.567 96 Y CB 0.903 39.450 38.460 0.144 0.000 1.492 96 Y HN 0.257 nan 8.280 nan 0.000 0.533 97 G N 0.450 109.306 108.800 0.092 0.000 2.166 97 G HA2 -0.320 3.818 3.960 0.297 0.000 0.260 97 G HA3 -0.320 3.818 3.960 0.297 0.000 0.260 97 G C 0.255 175.224 174.900 0.116 0.000 0.986 97 G CA 0.130 45.273 45.100 0.072 0.000 0.683 97 G HN 0.492 nan 8.290 nan 0.000 0.527 98 L N 1.344 122.679 121.223 0.187 0.000 2.727 98 L HA 0.480 4.998 4.340 0.297 0.000 0.237 98 L C 1.642 178.617 176.870 0.176 0.000 1.370 98 L CA 0.169 55.151 54.840 0.237 0.000 1.248 98 L CB -0.468 41.789 42.059 0.330 0.000 1.556 98 L HN 0.306 nan 8.230 nan 0.000 0.420 99 G N -1.036 107.842 108.800 0.130 0.000 3.392 99 G HA2 -0.049 4.089 3.960 0.297 0.000 0.188 99 G HA3 -0.049 4.089 3.960 0.297 0.000 0.188 99 G C 0.459 175.454 174.900 0.159 0.000 1.485 99 G CA -0.085 45.094 45.100 0.131 0.000 0.943 99 G HN 0.169 nan 8.290 nan 0.000 0.627 100 Y N 1.271 121.585 120.300 0.024 0.000 2.097 100 Y HA -0.147 4.582 4.550 0.297 0.000 0.282 100 Y C 2.687 178.620 175.900 0.054 0.000 1.152 100 Y CA 2.652 60.767 58.100 0.024 0.000 1.136 100 Y CB -0.598 37.856 38.460 -0.009 0.000 0.975 100 Y HN 0.431 nan 8.280 nan 0.000 0.498 101 N N -1.389 117.254 118.700 -0.095 0.000 2.062 101 N HA -0.111 4.807 4.740 0.297 0.000 0.191 101 N C -0.075 175.466 175.510 0.052 0.000 1.042 101 N CA 1.208 54.135 53.050 -0.204 0.000 0.845 101 N CB -0.212 37.962 38.487 -0.522 0.000 1.024 101 N HN 0.102 nan 8.380 nan 0.000 0.424 102 C N 2.984 122.280 119.300 -0.006 0.000 2.146 102 C HA 0.422 5.060 4.460 0.297 0.000 0.338 102 C C -2.171 172.980 174.990 0.268 0.000 1.074 102 C CA -1.701 57.367 59.018 0.083 0.000 1.527 102 C CB -0.100 27.527 27.740 -0.189 0.000 1.915 102 C HN 0.271 nan 8.230 nan 0.000 0.453 103 P HA 0.165 nan 4.420 nan 0.000 0.273 103 P C 0.181 177.617 177.300 0.227 0.000 1.250 103 P CA 0.050 63.269 63.100 0.197 0.000 0.793 103 P CB 0.625 32.394 31.700 0.114 0.000 1.011 104 A N 0.296 123.207 122.820 0.151 0.000 2.648 104 A HA 0.124 4.622 4.320 0.297 0.000 0.269 104 A C 0.320 177.933 177.584 0.049 0.000 1.392 104 A CA 0.133 52.242 52.037 0.120 0.000 1.019 104 A CB -1.496 17.570 19.000 0.110 0.000 1.009 104 A HN 0.431 nan 8.150 nan 0.000 0.565 105 T N 1.702 116.272 114.554 0.026 0.000 2.867 105 T HA -0.045 4.483 4.350 0.297 0.000 0.290 105 T C 0.416 175.099 174.700 -0.030 0.000 1.025 105 T CA 0.493 62.584 62.100 -0.015 0.000 1.146 105 T CB 0.158 69.002 68.868 -0.040 0.000 1.024 105 T HN 0.663 nan 8.240 nan 0.000 0.519 106 E N 1.956 122.145 120.200 -0.018 0.000 2.406 106 E HA 0.223 4.752 4.350 0.297 0.000 0.258 106 E C 1.167 177.762 176.600 -0.009 0.000 1.043 106 E CA 0.553 56.946 56.400 -0.011 0.000 0.929 106 E CB -0.375 29.320 29.700 -0.008 0.000 0.969 106 E HN 0.971 nan 8.360 nan 0.000 0.462 107 G N 4.301 113.109 108.800 0.013 0.000 2.141 107 G HA2 -0.271 3.867 3.960 0.297 0.000 0.231 107 G HA3 -0.271 3.867 3.960 0.297 0.000 0.231 107 G C 0.716 175.649 174.900 0.056 0.000 0.984 107 G CA 0.312 45.437 45.100 0.041 0.000 0.660 107 G HN 0.719 nan 8.290 nan 0.000 0.525 108 I N -2.809 117.764 120.570 0.004 0.000 2.315 108 I HA 0.129 4.477 4.170 0.297 0.000 0.248 108 I C 2.245 178.389 176.117 0.045 0.000 1.117 108 I CA 1.430 62.704 61.300 -0.045 0.000 1.404 108 I CB -0.504 37.245 38.000 -0.417 0.000 1.071 108 I HN 0.103 nan 8.210 nan 0.000 0.419 109 F N 3.161 123.082 119.950 -0.047 0.000 2.161 109 F HA -0.234 4.471 4.527 0.297 0.000 0.300 109 F C 1.639 177.452 175.800 0.022 0.000 1.089 109 F CA 2.084 60.069 58.000 -0.025 0.000 1.282 109 F CB -0.441 38.528 39.000 -0.052 0.000 1.010 109 F HN 0.117 nan 8.300 nan 0.000 0.485 110 D N -1.550 118.864 120.400 0.024 0.000 2.183 110 D HA -0.179 4.639 4.640 0.297 0.000 0.203 110 D C 1.805 178.106 176.300 0.002 0.000 0.969 110 D CA 1.177 55.163 54.000 -0.023 0.000 0.842 110 D CB -0.476 40.381 40.800 0.095 0.000 0.957 110 D HN 0.381 nan 8.370 nan 0.000 0.484 111 Y N 1.436 121.700 120.300 -0.060 0.000 2.263 111 Y HA 0.023 4.751 4.550 0.296 0.000 0.292 111 Y C 2.162 178.031 175.900 -0.053 0.000 1.130 111 Y CA 1.044 59.136 58.100 -0.014 0.000 1.179 111 Y CB -0.483 38.016 38.460 0.065 0.000 0.998 111 Y HN -0.041 nan 8.280 nan 0.000 0.532 112 A N 0.109 122.864 122.820 -0.109 0.000 1.968 112 A HA 0.049 4.547 4.320 0.297 0.000 0.217 112 A C 2.398 179.808 177.584 -0.290 0.000 1.169 112 A CA 1.423 53.354 52.037 -0.177 0.000 0.638 112 A CB -1.255 17.816 19.000 0.118 0.000 0.812 112 A HN 0.511 nan 8.150 nan 0.000 0.446 113 A N -0.058 122.541 122.820 -0.369 0.000 1.930 113 A HA 0.224 4.722 4.320 0.297 0.000 0.217 113 A C 2.454 179.895 177.584 -0.239 0.000 1.175 113 A CA 1.824 53.650 52.037 -0.352 0.000 0.627 113 A CB -0.856 17.861 19.000 -0.471 0.000 0.815 113 A HN 0.925 nan 8.150 nan 0.000 0.443 114 A N 0.061 122.759 122.820 -0.204 0.000 1.873 114 A HA -0.041 4.457 4.320 0.297 0.000 0.215 114 A C 2.105 179.578 177.584 -0.184 0.000 1.186 114 A CA 1.497 53.451 52.037 -0.140 0.000 0.616 114 A CB -0.556 18.446 19.000 0.003 0.000 0.823 114 A HN 0.482 nan 8.150 nan 0.000 0.442 115 I N -0.472 119.929 120.570 -0.281 0.000 2.353 115 I HA -0.135 4.213 4.170 0.297 0.000 0.248 115 I C 2.675 178.603 176.117 -0.316 0.000 1.119 115 I CA 0.977 62.069 61.300 -0.346 0.000 1.417 115 I CB -0.655 36.839 38.000 -0.843 0.000 1.078 115 I HN 0.397 nan 8.210 nan 0.000 0.421 116 G N 0.724 109.359 108.800 -0.275 0.000 2.421 116 G HA2 -0.179 3.959 3.960 0.297 0.000 0.216 116 G HA3 -0.179 3.959 3.960 0.297 0.000 0.216 116 G C 1.708 176.522 174.900 -0.144 0.000 1.171 116 G CA 0.789 45.794 45.100 -0.158 0.000 0.775 116 G HN 0.485 nan 8.290 nan 0.000 0.543 117 G N 0.644 109.343 108.800 -0.167 0.000 2.509 117 G HA2 0.169 4.307 3.960 0.297 0.000 0.218 117 G HA3 0.169 4.307 3.960 0.297 0.000 0.218 117 G C 1.831 176.601 174.900 -0.217 0.000 1.124 117 G CA 1.256 46.260 45.100 -0.160 0.000 0.776 117 G HN 0.627 nan 8.290 nan 0.000 0.547 118 A N -0.020 122.623 122.820 -0.296 0.000 2.066 118 A HA 0.124 4.622 4.320 0.297 0.000 0.218 118 A C 2.403 179.832 177.584 -0.258 0.000 1.157 118 A CA 2.048 53.845 52.037 -0.399 0.000 0.670 118 A CB -0.293 18.345 19.000 -0.603 0.000 0.804 118 A HN 0.247 nan 8.150 nan 0.000 0.453 119 T N -0.059 114.382 114.554 -0.188 0.000 2.976 119 T HA 0.065 4.593 4.350 0.297 0.000 0.257 119 T C 1.735 176.374 174.700 -0.102 0.000 1.051 119 T CA 0.657 62.675 62.100 -0.137 0.000 1.141 119 T CB -0.137 68.665 68.868 -0.109 0.000 0.881 119 T HN 0.262 nan 8.240 nan 0.000 0.461 120 I N 2.101 122.616 120.570 -0.092 0.000 2.226 120 I HA -0.128 4.220 4.170 0.297 0.000 0.245 120 I C 2.559 178.637 176.117 -0.066 0.000 1.100 120 I CA 1.517 62.783 61.300 -0.058 0.000 1.374 120 I CB -1.710 36.262 38.000 -0.047 0.000 1.057 120 I HN 0.242 nan 8.210 nan 0.000 0.413 121 T N 1.353 115.846 114.554 -0.102 0.000 2.746 121 T HA -0.114 4.414 4.350 0.297 0.000 0.267 121 T C 2.018 176.664 174.700 -0.090 0.000 1.039 121 T CA 1.602 63.640 62.100 -0.103 0.000 1.142 121 T CB -0.250 68.526 68.868 -0.153 0.000 0.866 121 T HN 0.463 nan 8.240 nan 0.000 0.444 122 A N 1.151 123.906 122.820 -0.109 0.000 1.968 122 A HA 0.293 4.791 4.320 0.297 0.000 0.217 122 A C 2.601 180.149 177.584 -0.060 0.000 1.169 122 A CA 1.567 53.545 52.037 -0.097 0.000 0.638 122 A CB -0.911 18.010 19.000 -0.132 0.000 0.812 122 A HN 0.491 nan 8.150 nan 0.000 0.446 123 A N -0.839 121.953 122.820 -0.048 0.000 1.898 123 A HA -0.174 4.324 4.320 0.297 0.000 0.216 123 A C 2.134 179.731 177.584 0.022 0.000 1.181 123 A CA 2.019 54.048 52.037 -0.012 0.000 0.620 123 A CB -0.518 18.480 19.000 -0.003 0.000 0.819 123 A HN 0.496 nan 8.150 nan 0.000 0.442 124 Q N -0.122 119.682 119.800 0.007 0.000 2.096 124 Q HA -0.187 4.331 4.340 0.297 0.000 0.204 124 Q C 1.992 178.007 176.000 0.026 0.000 0.982 124 Q CA 2.363 58.177 55.803 0.019 0.000 0.850 124 Q CB -1.026 27.710 28.738 -0.003 0.000 0.901 124 Q HN 0.685 nan 8.270 nan 0.000 0.422 125 C N -0.262 119.044 119.300 0.009 0.000 2.422 125 C HA -0.077 4.561 4.460 0.297 0.000 0.279 125 C C 2.329 177.343 174.990 0.040 0.000 1.305 125 C CA 0.250 59.276 59.018 0.014 0.000 1.757 125 C CB -1.144 26.593 27.740 -0.004 0.000 1.962 125 C HN 0.481 nan 8.230 nan 0.000 0.499 126 L N 1.333 122.589 121.223 0.055 0.000 2.093 126 L HA 0.001 4.519 4.340 0.297 0.000 0.208 126 L C 1.980 178.972 176.870 0.203 0.000 1.085 126 L CA 1.867 56.770 54.840 0.104 0.000 0.755 126 L CB -1.094 41.008 42.059 0.071 0.000 0.904 126 L HN 0.514 nan 8.230 nan 0.000 0.435 127 I N -4.472 116.210 120.570 0.187 0.000 3.826 127 I HA 0.162 4.510 4.170 0.297 0.000 0.319 127 I C 0.251 176.398 176.117 0.049 0.000 1.394 127 I CA 0.247 61.634 61.300 0.146 0.000 1.197 127 I CB -0.158 37.919 38.000 0.128 0.000 1.096 127 I HN -0.058 nan 8.210 nan 0.000 0.409 128 D N 1.135 121.565 120.400 0.051 0.000 2.516 128 D HA 0.170 4.988 4.640 0.297 0.000 0.241 128 D C 1.680 177.995 176.300 0.026 0.000 1.246 128 D CA 0.801 54.815 54.000 0.024 0.000 0.808 128 D CB 1.300 42.110 40.800 0.018 0.000 1.147 128 D HN 0.470 nan 8.370 nan 0.000 0.527 129 G N 2.089 110.915 108.800 0.045 0.000 2.205 129 G HA2 -0.405 3.733 3.960 0.297 0.000 0.269 129 G HA3 -0.405 3.733 3.960 0.297 0.000 0.269 129 G C 1.096 176.015 174.900 0.031 0.000 0.977 129 G CA 0.931 46.055 45.100 0.041 0.000 0.652 129 G HN 0.408 nan 8.290 nan 0.000 0.539 130 M N 0.105 119.721 119.600 0.026 0.000 2.539 130 M HA 0.170 4.829 4.480 0.297 0.000 0.261 130 M C 1.140 177.451 176.300 0.019 0.000 1.069 130 M CA 1.908 57.219 55.300 0.019 0.000 1.081 130 M CB -0.411 32.197 32.600 0.015 0.000 1.412 130 M HN 1.106 nan 8.290 nan 0.000 0.482 131 C N -3.161 116.153 119.300 0.025 0.000 3.176 131 C HA 0.345 4.983 4.460 0.297 0.000 0.343 131 C C 0.112 175.118 174.990 0.026 0.000 1.332 131 C CA -1.133 57.897 59.018 0.020 0.000 1.200 131 C CB 1.238 28.985 27.740 0.011 0.000 1.440 131 C HN 0.432 nan 8.230 nan 0.000 0.458 132 K N 0.143 120.553 120.400 0.017 0.000 2.374 132 K HA 0.653 5.151 4.320 0.297 0.000 0.202 132 K C -0.668 175.928 176.600 -0.006 0.000 1.040 132 K CA 0.220 56.519 56.287 0.020 0.000 1.085 132 K CB 0.576 33.090 32.500 0.024 0.000 0.873 132 K HN 0.711 nan 8.250 nan 0.000 0.539 133 V N 1.229 121.131 119.914 -0.020 0.000 2.737 133 V HA 0.518 4.816 4.120 0.297 0.000 0.298 133 V C -1.424 174.634 176.094 -0.060 0.000 1.163 133 V CA -0.928 61.342 62.300 -0.050 0.000 0.925 133 V CB 1.540 33.330 31.823 -0.055 0.000 1.037 133 V HN 0.166 nan 8.190 nan 0.000 0.433 134 A N 6.204 128.970 122.820 -0.090 0.000 2.342 134 A HA 0.966 5.465 4.320 0.297 0.000 0.323 134 A C -0.888 176.579 177.584 -0.195 0.000 1.125 134 A CA -0.535 51.438 52.037 -0.106 0.000 0.785 134 A CB 1.053 19.998 19.000 -0.092 0.000 1.221 134 A HN 0.756 nan 8.150 nan 0.000 0.463 135 I N 2.031 122.462 120.570 -0.231 0.000 2.433 135 I HA 0.350 4.698 4.170 0.297 0.000 0.292 135 I C -0.440 175.402 176.117 -0.458 0.000 1.001 135 I CA -0.582 60.451 61.300 -0.445 0.000 1.119 135 I CB 2.163 39.861 38.000 -0.504 0.000 1.289 135 I HN 0.674 nan 8.210 nan 0.000 0.438 136 N N 5.333 123.724 118.700 -0.514 0.000 2.725 136 N HA 0.216 5.134 4.740 0.297 0.000 0.248 136 N C 0.013 175.355 175.510 -0.280 0.000 1.402 136 N CA -0.580 52.279 53.050 -0.319 0.000 0.766 136 N CB 0.414 38.778 38.487 -0.205 0.000 1.223 136 N HN 0.572 nan 8.380 nan 0.000 0.515 137 W N 1.138 122.289 121.300 -0.250 0.000 2.387 137 W HA -0.078 4.763 4.660 0.301 0.000 0.272 137 W C 1.572 177.867 176.519 -0.373 0.000 1.224 137 W CA 0.235 57.293 57.345 -0.479 0.000 1.210 137 W CB 0.288 29.526 29.460 -0.371 0.000 1.125 137 W HN 0.383 nan 8.180 nan 0.000 0.572 138 S N -0.465 115.259 115.700 0.040 0.000 2.603 138 S HA 0.134 4.782 4.470 0.297 0.000 0.220 138 S C 1.026 175.555 174.600 -0.117 0.000 0.967 138 S CA 0.379 58.572 58.200 -0.011 0.000 0.920 138 S CB -0.298 62.813 63.200 -0.149 0.000 0.773 138 S HN 0.226 nan 8.310 nan 0.000 0.529 139 G N -0.503 108.223 108.800 -0.123 0.000 2.642 139 G HA2 0.518 4.656 3.960 0.297 0.000 0.291 139 G HA3 0.518 4.656 3.960 0.297 0.000 0.291 139 G C 0.524 175.395 174.900 -0.049 0.000 1.345 139 G CA -0.200 44.787 45.100 -0.189 0.000 1.043 139 G HN 0.579 nan 8.290 nan 0.000 0.528 140 G N -2.578 106.234 108.800 0.020 0.000 2.145 140 G HA2 -0.180 3.958 3.960 0.297 0.000 0.145 140 G HA3 -0.180 3.958 3.960 0.297 0.000 0.145 140 G C -0.108 174.929 174.900 0.228 0.000 1.017 140 G CA -0.195 44.969 45.100 0.107 0.000 0.682 140 G HN 0.475 nan 8.290 nan 0.000 0.504 141 W N 2.926 124.245 121.300 0.031 0.000 1.828 141 W HA 0.390 5.227 4.660 0.295 0.000 0.470 141 W C 1.567 178.159 176.519 0.120 0.000 0.786 141 W CA -0.151 57.244 57.345 0.084 0.000 1.816 141 W CB -1.339 28.192 29.460 0.118 0.000 1.798 141 W HN 0.658 nan 8.180 nan 0.000 0.252 142 H N -1.539 117.578 119.070 0.077 0.000 2.547 142 H HA 0.020 4.754 4.556 0.297 0.000 0.266 142 H C 1.059 176.298 175.328 -0.147 0.000 0.988 142 H CA 0.542 56.558 56.048 -0.053 0.000 1.147 142 H CB 0.245 29.997 29.762 -0.016 0.000 1.365 142 H HN 0.236 nan 8.280 nan 0.000 0.589 143 H N 1.197 120.401 119.070 0.224 0.000 2.544 143 H HA 0.319 5.052 4.556 0.296 0.000 0.269 143 H C 1.022 176.377 175.328 0.044 0.000 0.970 143 H CA 0.439 56.504 56.048 0.027 0.000 1.219 143 H CB 0.078 29.873 29.762 0.055 0.000 1.421 143 H HN 0.460 nan 8.280 nan 0.000 0.555 144 A N 2.666 125.615 122.820 0.215 0.000 2.488 144 A HA 0.161 4.659 4.320 0.297 0.000 0.249 144 A C 0.529 178.285 177.584 0.286 0.000 1.083 144 A CA -0.178 52.001 52.037 0.237 0.000 0.768 144 A CB 0.439 19.655 19.000 0.360 0.000 1.017 144 A HN 0.031 nan 8.150 nan 0.000 0.496 145 K N 1.614 122.097 120.400 0.139 0.000 2.090 145 K HA 0.152 4.650 4.320 0.297 0.000 0.250 145 K C 1.292 177.786 176.600 -0.177 0.000 1.004 145 K CA -0.311 56.002 56.287 0.043 0.000 0.919 145 K CB 0.977 33.441 32.500 -0.060 0.000 1.045 145 K HN 0.810 nan 8.250 nan 0.000 0.471 146 K N 0.127 120.178 120.400 -0.582 0.000 2.211 146 K HA -0.172 4.326 4.320 0.297 0.000 0.204 146 K C 0.156 176.473 176.600 -0.473 0.000 1.047 146 K CA 2.089 57.735 56.287 -1.068 0.000 0.935 146 K CB 0.006 31.898 32.500 -1.012 0.000 0.728 146 K HN 0.556 nan 8.250 nan 0.000 0.452 147 D N -0.405 119.750 120.400 -0.408 0.000 2.760 147 D HA 0.162 4.980 4.640 0.297 0.000 0.314 147 D C -1.003 175.006 176.300 -0.485 0.000 1.464 147 D CA -0.465 53.288 54.000 -0.412 0.000 0.797 147 D CB 0.160 40.912 40.800 -0.079 0.000 1.149 147 D HN 0.406 nan 8.370 nan 0.000 0.455 148 E N 0.017 119.808 120.200 -0.681 0.000 2.354 148 E HA 0.596 5.124 4.350 0.297 0.000 0.283 148 E C -1.584 174.854 176.600 -0.270 0.000 0.938 148 E CA -0.837 55.362 56.400 -0.335 0.000 0.777 148 E CB 1.969 31.602 29.700 -0.113 0.000 1.222 148 E HN 0.146 nan 8.360 nan 0.000 0.423 149 A N 2.391 125.173 122.820 -0.063 0.000 2.293 149 A HA 0.768 5.266 4.320 0.297 0.000 0.302 149 A C -0.506 177.040 177.584 -0.064 0.000 1.119 149 A CA -0.200 51.834 52.037 -0.005 0.000 0.823 149 A CB 1.626 20.689 19.000 0.105 0.000 1.097 149 A HN 0.375 nan 8.150 nan 0.000 0.491 150 S N -0.236 115.394 115.700 -0.117 0.000 2.543 150 S HA 0.522 5.170 4.470 0.297 0.000 0.274 150 S C 0.248 174.721 174.600 -0.210 0.000 1.149 150 S CA 0.531 58.669 58.200 -0.105 0.000 0.866 150 S CB 0.903 64.118 63.200 0.024 0.000 1.111 150 S HN 2.635 nan 8.310 nan 0.000 0.457 151 G N 2.537 111.040 108.800 -0.495 0.000 2.390 151 G HA2 -0.236 3.902 3.960 0.297 0.000 0.299 151 G HA3 -0.236 3.902 3.960 0.297 0.000 0.299 151 G C 0.380 174.797 174.900 -0.806 0.000 1.002 151 G CA 0.714 45.203 45.100 -1.018 0.000 0.979 151 G HN 1.544 nan 8.290 nan 0.000 0.513 152 F N -4.217 115.460 119.950 -0.455 0.000 2.926 152 F HA -0.225 4.481 4.527 0.298 0.000 0.288 152 F C 1.147 176.412 175.800 -0.891 0.000 0.756 152 F CA -0.328 57.343 58.000 -0.549 0.000 1.292 152 F CB -2.274 36.516 39.000 -0.350 0.000 1.482 152 F HN 0.518 nan 8.300 nan 0.000 0.400 153 C N 0.553 119.438 119.300 -0.692 0.000 2.281 153 C HA 0.561 5.199 4.460 0.297 0.000 0.323 153 C C 1.496 176.198 174.990 -0.480 0.000 1.270 153 C CA -0.506 58.093 59.018 -0.699 0.000 1.559 153 C CB -0.137 27.498 27.740 -0.175 0.000 2.239 153 C HN 0.389 nan 8.230 nan 0.000 0.488 154 Y N 1.320 121.629 120.300 0.015 0.000 2.503 154 Y HA 0.393 5.121 4.550 0.296 0.000 0.277 154 Y C 0.625 176.724 175.900 0.331 0.000 1.102 154 Y CA 0.091 58.351 58.100 0.267 0.000 1.261 154 Y CB 0.129 38.758 38.460 0.282 0.000 1.096 154 Y HN 0.454 nan 8.280 nan 0.000 0.546 155 L N 0.132 121.699 121.223 0.572 0.000 2.422 155 L HA 0.370 4.888 4.340 0.297 0.000 0.264 155 L C -0.771 176.459 176.870 0.601 0.000 0.984 155 L CA -0.611 54.477 54.840 0.413 0.000 0.819 155 L CB 1.690 43.914 42.059 0.276 0.000 1.330 155 L HN -0.111 nan 8.230 nan 0.000 0.410 156 N N 2.223 121.347 118.700 0.707 0.000 3.083 156 N HA 0.046 4.965 4.740 0.297 0.000 0.260 156 N C 0.422 176.059 175.510 0.211 0.000 1.163 156 N CA -0.062 53.228 53.050 0.400 0.000 1.060 156 N CB 0.476 39.083 38.487 0.199 0.000 1.345 156 N HN 0.711 nan 8.380 nan 0.000 0.515 157 D N 1.205 121.715 120.400 0.184 0.000 2.221 157 D HA -0.189 4.629 4.640 0.297 0.000 0.204 157 D C 1.291 177.594 176.300 0.005 0.000 0.982 157 D CA 0.676 54.704 54.000 0.047 0.000 0.857 157 D CB -0.003 40.760 40.800 -0.062 0.000 0.934 157 D HN 0.345 nan 8.370 nan 0.000 0.475 158 A N 1.066 123.896 122.820 0.017 0.000 1.902 158 A HA -0.075 4.423 4.320 0.297 0.000 0.217 158 A C 2.669 180.186 177.584 -0.111 0.000 1.181 158 A CA 1.623 53.641 52.037 -0.031 0.000 0.623 158 A CB -0.821 18.165 19.000 -0.023 0.000 0.818 158 A HN 0.202 nan 8.150 nan 0.000 0.443 159 V N 0.244 120.046 119.914 -0.187 0.000 2.358 159 V HA -0.224 4.074 4.120 0.297 0.000 0.246 159 V C 2.537 178.558 176.094 -0.121 0.000 1.047 159 V CA 1.790 63.946 62.300 -0.241 0.000 1.035 159 V CB -0.763 30.516 31.823 -0.906 0.000 0.658 159 V HN 0.564 nan 8.190 nan 0.000 0.452 160 L N 0.447 121.618 121.223 -0.086 0.000 2.131 160 L HA -0.103 4.415 4.340 0.297 0.000 0.210 160 L C 2.585 179.463 176.870 0.014 0.000 1.092 160 L CA 1.718 56.566 54.840 0.013 0.000 0.759 160 L CB -1.123 40.974 42.059 0.063 0.000 0.903 160 L HN 0.484 nan 8.230 nan 0.000 0.435 161 G N 0.225 109.019 108.800 -0.009 0.000 2.403 161 G HA2 -0.137 4.001 3.960 0.297 0.000 0.216 161 G HA3 -0.137 4.001 3.960 0.297 0.000 0.216 161 G C 1.593 176.494 174.900 0.001 0.000 1.154 161 G CA 0.361 45.454 45.100 -0.011 0.000 0.784 161 G HN 0.271 nan 8.290 nan 0.000 0.538 162 I N 0.375 120.941 120.570 -0.006 0.000 2.315 162 I HA -0.056 4.293 4.170 0.297 0.000 0.248 162 I C 2.554 178.702 176.117 0.053 0.000 1.117 162 I CA 0.556 61.843 61.300 -0.022 0.000 1.404 162 I CB -0.187 37.722 38.000 -0.151 0.000 1.071 162 I HN 0.095 nan 8.210 nan 0.000 0.419 163 L N 0.463 121.755 121.223 0.115 0.000 2.191 163 L HA -0.180 4.338 4.340 0.297 0.000 0.212 163 L C 2.677 179.607 176.870 0.101 0.000 1.103 163 L CA 0.850 55.774 54.840 0.140 0.000 0.769 163 L CB -0.442 41.697 42.059 0.134 0.000 0.908 163 L HN 0.233 nan 8.230 nan 0.000 0.438 164 R N 0.806 121.352 120.500 0.077 0.000 2.093 164 R HA -0.040 4.478 4.340 0.297 0.000 0.224 164 R C 2.002 178.361 176.300 0.099 0.000 1.101 164 R CA 1.298 57.440 56.100 0.071 0.000 0.979 164 R CB -0.564 29.763 30.300 0.046 0.000 0.877 164 R HN 0.240 nan 8.270 nan 0.000 0.441 165 L N 0.443 121.731 121.223 0.109 0.000 2.275 165 L HA -0.023 4.495 4.340 0.297 0.000 0.215 165 L C 1.976 179.003 176.870 0.262 0.000 1.119 165 L CA 0.675 55.634 54.840 0.199 0.000 0.790 165 L CB -0.310 41.803 42.059 0.091 0.000 0.919 165 L HN 0.101 nan 8.230 nan 0.000 0.443 166 R N 0.296 120.894 120.500 0.163 0.000 2.280 166 R HA -0.043 4.475 4.340 0.297 0.000 0.207 166 R C 2.076 178.441 176.300 0.108 0.000 1.043 166 R CA 0.562 56.749 56.100 0.146 0.000 1.006 166 R CB -0.277 30.098 30.300 0.125 0.000 0.885 166 R HN 0.437 nan 8.270 nan 0.000 0.467 167 R N -0.047 120.510 120.500 0.095 0.000 2.115 167 R HA -0.082 4.436 4.340 0.297 0.000 0.230 167 R C 1.914 178.213 176.300 -0.002 0.000 1.111 167 R CA 1.251 57.378 56.100 0.046 0.000 0.976 167 R CB 0.072 30.396 30.300 0.041 0.000 0.870 167 R HN 0.049 nan 8.270 nan 0.000 0.445 168 K N -0.927 119.461 120.400 -0.020 0.000 2.464 168 K HA 0.141 4.639 4.320 0.297 0.000 0.206 168 K C -0.595 175.767 176.600 -0.398 0.000 1.186 168 K CA -0.080 56.069 56.287 -0.229 0.000 0.990 168 K CB 0.665 32.956 32.500 -0.349 0.000 1.003 168 K HN -0.148 nan 8.250 nan 0.000 0.562 169 F N 1.355 121.314 119.950 0.015 0.000 2.443 169 F HA 0.329 5.034 4.527 0.297 0.000 0.335 169 F C 1.097 176.906 175.800 0.015 0.000 1.104 169 F CA -0.836 57.173 58.000 0.015 0.000 1.013 169 F CB 1.820 40.836 39.000 0.027 0.000 1.136 169 F HN -0.122 nan 8.300 nan 0.000 0.470 170 E N 1.438 121.738 120.200 0.166 0.000 2.140 170 E HA 0.091 4.619 4.350 0.297 0.000 0.191 170 E C 0.263 176.918 176.600 0.092 0.000 0.973 170 E CA 0.716 57.168 56.400 0.087 0.000 0.829 170 E CB 0.237 29.948 29.700 0.019 0.000 0.781 170 E HN 0.502 nan 8.360 nan 0.000 0.466 171 R N 0.688 121.243 120.500 0.092 0.000 2.388 171 R HA 0.506 5.024 4.340 0.297 0.000 0.314 171 R C -0.444 176.007 176.300 0.252 0.000 0.959 171 R CA -0.242 55.909 56.100 0.085 0.000 0.851 171 R CB 1.444 31.506 30.300 -0.398 0.000 1.168 171 R HN -0.057 nan 8.270 nan 0.000 0.472 172 I N 4.185 124.950 120.570 0.325 0.000 2.433 172 I HA 0.313 4.661 4.170 0.297 0.000 0.292 172 I C -0.699 175.531 176.117 0.187 0.000 1.001 172 I CA -1.168 60.237 61.300 0.176 0.000 1.119 172 I CB 1.882 39.890 38.000 0.014 0.000 1.289 172 I HN 0.293 nan 8.210 nan 0.000 0.438 173 L N 7.474 128.794 121.223 0.163 0.000 2.307 173 L HA 0.451 4.969 4.340 0.297 0.000 0.284 173 L C -1.354 175.582 176.870 0.109 0.000 1.023 173 L CA -0.300 54.592 54.840 0.087 0.000 0.810 173 L CB 1.186 43.353 42.059 0.179 0.000 1.231 173 L HN 0.469 nan 8.230 nan 0.000 0.423 174 Y N 5.272 125.541 120.300 -0.052 0.000 2.328 174 Y HA 0.673 5.401 4.550 0.297 0.000 0.333 174 Y C -1.318 174.610 175.900 0.047 0.000 0.958 174 Y CA -0.903 57.186 58.100 -0.019 0.000 1.167 174 Y CB 1.415 39.836 38.460 -0.066 0.000 1.151 174 Y HN 0.380 nan 8.280 nan 0.000 0.470 175 V N 6.315 125.971 119.914 -0.430 0.000 2.384 175 V HA 0.245 4.543 4.120 0.297 0.000 0.287 175 V C -0.649 175.155 176.094 -0.485 0.000 1.020 175 V CA -0.844 61.267 62.300 -0.315 0.000 0.850 175 V CB 1.460 33.245 31.823 -0.062 0.000 0.987 175 V HN 0.709 nan 8.190 nan 0.000 0.436 176 D N 4.748 124.954 120.400 -0.323 0.000 2.443 176 D HA 0.331 5.149 4.640 0.297 0.000 0.221 176 D C 0.380 176.778 176.300 0.163 0.000 1.097 176 D CA -0.219 53.727 54.000 -0.088 0.000 0.865 176 D CB 1.524 42.400 40.800 0.126 0.000 1.034 176 D HN 0.484 nan 8.370 nan 0.000 0.511 177 L N 2.646 123.979 121.223 0.183 0.000 2.685 177 L HA 0.170 4.688 4.340 0.297 0.000 0.233 177 L C 1.085 178.154 176.870 0.332 0.000 1.173 177 L CA -0.140 54.880 54.840 0.300 0.000 0.961 177 L CB 0.052 42.277 42.059 0.276 0.000 1.217 177 L HN 0.280 nan 8.230 nan 0.000 0.478 178 D N 0.500 121.103 120.400 0.339 0.000 2.339 178 D HA -0.007 4.811 4.640 0.297 0.000 0.245 178 D C 0.979 177.503 176.300 0.374 0.000 1.115 178 D CA -0.308 53.906 54.000 0.357 0.000 0.917 178 D CB 2.183 43.227 40.800 0.407 0.000 1.192 178 D HN -0.012 nan 8.370 nan 0.000 0.428 179 L N 3.420 124.785 121.223 0.235 0.000 2.261 179 L HA -0.124 4.394 4.340 0.297 0.000 0.216 179 L C 0.180 177.072 176.870 0.036 0.000 1.114 179 L CA 1.735 56.527 54.840 -0.080 0.000 0.777 179 L CB -0.441 41.466 42.059 -0.253 0.000 0.910 179 L HN 0.388 nan 8.230 nan 0.000 0.440 180 H N -1.797 117.568 119.070 0.492 0.000 2.525 180 H HA 0.296 5.030 4.556 0.296 0.000 0.340 180 H C -0.440 175.165 175.328 0.462 0.000 1.168 180 H CA -0.566 55.809 56.048 0.545 0.000 1.247 180 H CB 0.486 30.616 29.762 0.614 0.000 1.568 180 H HN 0.115 nan 8.280 nan 0.000 0.536 181 H N 1.015 120.212 119.070 0.212 0.000 2.819 181 H HA 0.102 4.836 4.556 0.297 0.000 0.303 181 H C 0.349 175.581 175.328 -0.159 0.000 1.058 181 H CA -0.601 55.288 56.048 -0.265 0.000 1.471 181 H CB 0.435 29.811 29.762 -0.643 0.000 1.480 181 H HN 0.947 nan 8.280 nan 0.000 0.517 182 G N 5.163 113.795 108.800 -0.280 0.000 3.003 182 G HA2 -0.129 4.009 3.960 0.297 0.000 0.266 182 G HA3 -0.129 4.009 3.960 0.297 0.000 0.266 182 G C 0.911 175.470 174.900 -0.569 0.000 0.755 182 G CA -0.090 44.759 45.100 -0.417 0.000 2.061 182 G HN 0.841 nan 8.290 nan 0.000 0.599 183 D N 1.447 121.364 120.400 -0.805 0.000 2.097 183 D HA -0.149 4.669 4.640 0.297 0.000 0.195 183 D C 2.306 178.484 176.300 -0.204 0.000 0.989 183 D CA 1.263 54.917 54.000 -0.576 0.000 0.827 183 D CB -0.932 39.641 40.800 -0.378 0.000 0.966 183 D HN 0.279 nan 8.370 nan 0.000 0.456 184 G N 0.690 109.421 108.800 -0.115 0.000 2.505 184 G HA2 -0.254 3.884 3.960 0.297 0.000 0.220 184 G HA3 -0.254 3.884 3.960 0.297 0.000 0.220 184 G C 1.853 176.724 174.900 -0.049 0.000 1.145 184 G CA 1.784 46.878 45.100 -0.010 0.000 0.761 184 G HN 0.350 nan 8.290 nan 0.000 0.571 185 V N 0.511 120.366 119.914 -0.098 0.000 2.591 185 V HA -0.061 4.237 4.120 0.297 0.000 0.249 185 V C 2.458 178.579 176.094 0.045 0.000 1.053 185 V CA 1.949 64.175 62.300 -0.123 0.000 1.068 185 V CB -0.181 31.419 31.823 -0.372 0.000 0.689 185 V HN 0.601 nan 8.190 nan 0.000 0.462 186 E N 0.692 120.914 120.200 0.037 0.000 2.047 186 E HA -0.273 4.255 4.350 0.297 0.000 0.191 186 E C 1.806 178.458 176.600 0.087 0.000 0.987 186 E CA 1.744 58.212 56.400 0.112 0.000 0.799 186 E CB -0.106 29.660 29.700 0.111 0.000 0.752 186 E HN 0.573 nan 8.360 nan 0.000 0.449 187 D N 0.493 120.913 120.400 0.033 0.000 2.123 187 D HA -0.167 4.651 4.640 0.297 0.000 0.196 187 D C 1.839 178.155 176.300 0.026 0.000 0.992 187 D CA 1.487 55.514 54.000 0.044 0.000 0.833 187 D CB -0.446 40.379 40.800 0.042 0.000 0.954 187 D HN 0.346 nan 8.370 nan 0.000 0.455 188 A N -0.163 122.606 122.820 -0.085 0.000 1.940 188 A HA -0.143 4.355 4.320 0.297 0.000 0.219 188 A C 1.366 178.607 177.584 -0.571 0.000 1.176 188 A CA 1.131 52.954 52.037 -0.356 0.000 0.631 188 A CB -0.598 17.907 19.000 -0.826 0.000 0.814 188 A HN 0.283 nan 8.150 nan 0.000 0.446 189 F N -0.437 119.539 119.950 0.043 0.000 2.698 189 F HA 0.150 4.855 4.527 0.296 0.000 0.304 189 F C 1.989 177.823 175.800 0.056 0.000 1.108 189 F CA 0.313 58.345 58.000 0.053 0.000 1.263 189 F CB 0.062 39.069 39.000 0.013 0.000 1.013 189 F HN 0.207 nan 8.300 nan 0.000 0.532 190 S N -0.627 115.163 115.700 0.151 0.000 2.447 190 S HA -0.155 4.493 4.470 0.297 0.000 0.233 190 S C 1.317 175.830 174.600 -0.145 0.000 1.006 190 S CA 1.052 59.249 58.200 -0.006 0.000 0.957 190 S CB -0.685 62.451 63.200 -0.107 0.000 0.773 190 S HN 0.342 nan 8.310 nan 0.000 0.507 191 F N 1.670 121.655 119.950 0.058 0.000 2.693 191 F HA 0.407 5.112 4.527 0.297 0.000 0.303 191 F C 1.154 176.975 175.800 0.034 0.000 1.097 191 F CA -0.088 57.934 58.000 0.036 0.000 1.330 191 F CB 0.602 39.611 39.000 0.015 0.000 1.067 191 F HN 0.193 nan 8.300 nan 0.000 0.565 192 T N -1.456 113.207 114.554 0.181 0.000 2.907 192 T HA 0.348 4.876 4.350 0.297 0.000 0.292 192 T C 0.772 175.460 174.700 -0.020 0.000 1.043 192 T CA -0.243 61.921 62.100 0.107 0.000 1.003 192 T CB 1.421 70.403 68.868 0.191 0.000 1.084 192 T HN 0.009 nan 8.240 nan 0.000 0.483 193 S N 2.570 118.143 115.700 -0.210 0.000 2.539 193 S HA 0.263 4.911 4.470 0.297 0.000 0.221 193 S C 1.410 175.968 174.600 -0.069 0.000 0.987 193 S CA -0.496 57.332 58.200 -0.619 0.000 0.929 193 S CB 0.054 62.482 63.200 -1.288 0.000 0.832 193 S HN 0.600 nan 8.310 nan 0.000 0.492 194 K N 1.209 121.642 120.400 0.055 0.000 2.296 194 K HA 0.212 4.710 4.320 0.297 0.000 0.200 194 K C -0.158 176.584 176.600 0.236 0.000 1.048 194 K CA 0.481 56.861 56.287 0.154 0.000 0.966 194 K CB 0.207 32.774 32.500 0.111 0.000 0.754 194 K HN 0.311 nan 8.250 nan 0.000 0.466 195 V N 1.934 121.923 119.914 0.125 0.000 2.482 195 V HA 0.295 4.593 4.120 0.297 0.000 0.295 195 V C -0.640 175.381 176.094 -0.122 0.000 1.026 195 V CA -0.679 61.570 62.300 -0.086 0.000 0.856 195 V CB 1.774 33.224 31.823 -0.622 0.000 1.001 195 V HN 0.104 nan 8.190 nan 0.000 0.424 196 M N 5.298 124.707 119.600 -0.318 0.000 2.180 196 M HA 0.606 5.264 4.480 0.297 0.000 0.350 196 M C 0.013 176.217 176.300 -0.160 0.000 1.125 196 M CA -0.115 54.976 55.300 -0.348 0.000 1.031 196 M CB 1.591 33.639 32.600 -0.921 0.000 1.623 196 M HN 0.808 nan 8.290 nan 0.000 0.451 197 T N 2.520 117.077 114.554 0.005 0.000 2.795 197 T HA 0.679 5.207 4.350 0.297 0.000 0.282 197 T C -0.665 174.109 174.700 0.124 0.000 0.980 197 T CA -0.758 61.441 62.100 0.165 0.000 1.012 197 T CB 1.195 70.233 68.868 0.284 0.000 0.936 197 T HN 0.471 nan 8.240 nan 0.000 0.457 198 V N 2.931 122.915 119.914 0.117 0.000 2.487 198 V HA 0.740 5.038 4.120 0.297 0.000 0.298 198 V C -0.083 176.086 176.094 0.126 0.000 1.028 198 V CA -0.754 61.597 62.300 0.085 0.000 0.860 198 V CB 1.789 33.638 31.823 0.044 0.000 0.991 198 V HN 1.072 nan 8.190 nan 0.000 0.427 199 S N 4.862 120.686 115.700 0.207 0.000 2.672 199 S HA 0.707 5.355 4.470 0.297 0.000 0.291 199 S C -1.280 173.523 174.600 0.338 0.000 1.145 199 S CA -0.445 57.965 58.200 0.349 0.000 1.013 199 S CB 0.933 64.467 63.200 0.557 0.000 1.017 199 S HN 0.480 nan 8.310 nan 0.000 0.487 200 L N 8.140 129.522 121.223 0.265 0.000 2.297 200 L HA 0.521 5.039 4.340 0.297 0.000 0.277 200 L C 0.369 177.435 176.870 0.326 0.000 1.040 200 L CA -0.171 54.738 54.840 0.115 0.000 0.867 200 L CB 0.420 42.495 42.059 0.026 0.000 1.244 200 L HN 0.712 nan 8.230 nan 0.000 0.433 201 H N 1.137 120.411 119.070 0.340 0.000 2.907 201 H HA 0.488 5.222 4.556 0.296 0.000 0.361 201 H C -0.838 174.763 175.328 0.454 0.000 1.194 201 H CA -1.290 55.004 56.048 0.410 0.000 1.152 201 H CB 1.676 31.671 29.762 0.388 0.000 1.867 201 H HN 0.320 nan 8.280 nan 0.000 0.561 202 K N 1.130 121.795 120.400 0.441 0.000 2.297 202 K HA 0.263 4.761 4.320 0.297 0.000 0.286 202 K C -1.632 175.159 176.600 0.318 0.000 1.053 202 K CA -0.394 56.061 56.287 0.280 0.000 0.940 202 K CB 0.375 32.716 32.500 -0.265 0.000 1.019 202 K HN 0.421 nan 8.250 nan 0.000 0.475 203 F N 3.659 123.690 119.950 0.136 0.000 2.449 203 F HA 0.420 5.125 4.527 0.297 0.000 0.342 203 F C -1.049 174.795 175.800 0.073 0.000 1.127 203 F CA -0.155 57.945 58.000 0.167 0.000 0.975 203 F CB 1.735 40.817 39.000 0.136 0.000 1.146 203 F HN 0.584 nan 8.300 nan 0.000 0.444 204 S N 6.696 122.131 115.700 -0.441 0.000 2.563 204 S HA 0.464 5.112 4.470 0.297 0.000 0.279 204 S C -3.077 171.352 174.600 -0.286 0.000 1.155 204 S CA -1.127 56.911 58.200 -0.271 0.000 0.928 204 S CB 1.418 64.541 63.200 -0.128 0.000 1.107 204 S HN 0.378 nan 8.310 nan 0.000 0.462 205 P HA 0.287 nan 4.420 nan 0.000 0.260 205 P C 0.829 178.104 177.300 -0.041 0.000 1.185 205 P CA 1.605 64.621 63.100 -0.140 0.000 0.763 205 P CB 0.253 31.914 31.700 -0.065 0.000 0.776 206 G N 2.180 110.963 108.800 -0.030 0.000 2.157 206 G HA2 -0.250 3.888 3.960 0.297 0.000 0.239 206 G HA3 -0.250 3.888 3.960 0.297 0.000 0.239 206 G C -0.236 174.717 174.900 0.087 0.000 0.982 206 G CA -0.606 44.507 45.100 0.022 0.000 0.650 206 G HN 0.512 nan 8.290 nan 0.000 0.527 207 F N 1.175 121.086 119.950 -0.065 0.000 2.436 207 F HA 0.741 5.445 4.527 0.296 0.000 0.340 207 F C 0.325 176.143 175.800 0.031 0.000 1.113 207 F CA -2.176 55.825 58.000 0.002 0.000 1.022 207 F CB 0.714 39.697 39.000 -0.029 0.000 1.128 207 F HN 0.083 nan 8.300 nan 0.000 0.466 208 F N 8.719 128.300 119.950 -0.615 0.000 2.607 208 F HA 0.222 4.927 4.527 0.297 0.000 0.374 208 F C -1.507 174.213 175.800 -0.134 0.000 1.104 208 F CA -1.414 56.347 58.000 -0.398 0.000 1.296 208 F CB 0.777 39.472 39.000 -0.509 0.000 1.085 208 F HN 0.367 nan 8.300 nan 0.000 0.584 209 P HA 0.208 nan 4.420 nan 0.000 0.266 209 P C 0.581 177.571 177.300 -0.518 0.000 1.381 209 P CA 0.869 63.123 63.100 -1.410 0.000 0.940 209 P CB 0.500 31.272 31.700 -1.548 0.000 1.435 210 G N 0.267 108.921 108.800 -0.243 0.000 2.179 210 G HA2 -0.224 3.914 3.960 0.297 0.000 0.260 210 G HA3 -0.224 3.914 3.960 0.297 0.000 0.260 210 G C 0.328 175.237 174.900 0.016 0.000 0.977 210 G CA 0.631 45.645 45.100 -0.144 0.000 0.641 210 G HN 0.593 nan 8.290 nan 0.000 0.533 211 T N -3.344 111.282 114.554 0.121 0.000 2.841 211 T HA 0.752 5.280 4.350 0.297 0.000 0.276 211 T C 1.274 176.064 174.700 0.149 0.000 1.003 211 T CA 0.272 62.509 62.100 0.228 0.000 0.995 211 T CB 1.778 70.769 68.868 0.205 0.000 1.260 211 T HN 2.047 nan 8.240 nan 0.000 0.581 212 G N 0.615 109.260 108.800 -0.258 0.000 2.248 212 G HA2 -0.120 4.019 3.960 0.297 0.000 0.252 212 G HA3 -0.120 4.019 3.960 0.297 0.000 0.252 212 G C -0.366 174.319 174.900 -0.358 0.000 1.085 212 G CA -0.003 44.696 45.100 -0.667 0.000 0.845 212 G HN 0.998 nan 8.290 nan 0.000 0.494 213 D N -0.965 119.069 120.400 -0.610 0.000 2.383 213 D HA 0.388 5.206 4.640 0.297 0.000 0.248 213 D C 1.625 177.623 176.300 -0.504 0.000 1.170 213 D CA 0.048 53.457 54.000 -0.985 0.000 0.977 213 D CB 1.571 41.837 40.800 -0.890 0.000 1.120 213 D HN 0.268 nan 8.370 nan 0.000 0.481 214 V N 1.794 121.431 119.914 -0.461 0.000 2.594 214 V HA -0.203 4.095 4.120 0.297 0.000 0.253 214 V C 1.962 177.742 176.094 -0.524 0.000 1.069 214 V CA 2.748 64.788 62.300 -0.433 0.000 1.082 214 V CB -0.546 31.029 31.823 -0.414 0.000 0.680 214 V HN 0.649 nan 8.190 nan 0.000 0.469 215 S N -1.245 114.239 115.700 -0.361 0.000 2.515 215 S HA -0.067 4.581 4.470 0.297 0.000 0.231 215 S C 0.982 175.469 174.600 -0.188 0.000 0.987 215 S CA 0.449 58.522 58.200 -0.211 0.000 0.936 215 S CB -0.374 62.822 63.200 -0.007 0.000 0.766 215 S HN 0.683 nan 8.310 nan 0.000 0.528 216 D N 2.241 122.512 120.400 -0.215 0.000 2.338 216 D HA 0.220 5.038 4.640 0.297 0.000 0.255 216 D C 0.734 176.933 176.300 -0.168 0.000 1.237 216 D CA 0.101 54.002 54.000 -0.164 0.000 0.883 216 D CB 1.479 42.186 40.800 -0.155 0.000 1.087 216 D HN 0.266 nan 8.370 nan 0.000 0.485 217 V N 1.082 120.889 119.914 -0.179 0.000 3.382 217 V HA 0.555 4.853 4.120 0.297 0.000 0.296 217 V C 0.644 176.633 176.094 -0.175 0.000 1.529 217 V CA 0.435 62.623 62.300 -0.187 0.000 1.048 217 V CB 0.043 31.694 31.823 -0.286 0.000 0.878 217 V HN 0.699 nan 8.190 nan 0.000 0.442 218 G N 0.795 109.487 108.800 -0.180 0.000 2.555 218 G HA2 0.210 4.348 3.960 0.297 0.000 0.686 218 G HA3 0.210 4.348 3.960 0.297 0.000 0.686 218 G C -1.560 173.150 174.900 -0.317 0.000 1.275 218 G CA -0.369 44.608 45.100 -0.204 0.000 0.871 218 G HN 0.426 nan 8.290 nan 0.000 0.603 219 L N 0.700 121.622 121.223 -0.501 0.000 2.327 219 L HA 0.880 5.399 4.340 0.297 0.000 0.258 219 L C 1.691 178.310 176.870 -0.419 0.000 1.024 219 L CA 0.836 55.328 54.840 -0.581 0.000 0.825 219 L CB 0.507 41.970 42.059 -0.992 0.000 1.386 219 L HN 2.576 nan 8.230 nan 0.000 0.417 220 G N 2.051 110.793 108.800 -0.097 0.000 2.634 220 G HA2 -0.342 3.796 3.960 0.297 0.000 0.309 220 G HA3 -0.342 3.796 3.960 0.297 0.000 0.309 220 G C 0.713 175.666 174.900 0.088 0.000 1.265 220 G CA 0.521 45.699 45.100 0.129 0.000 0.998 220 G HN 0.634 nan 8.290 nan 0.000 0.551 221 K N 1.786 122.266 120.400 0.134 0.000 2.515 221 K HA 0.055 4.553 4.320 0.297 0.000 0.196 221 K C 1.971 178.583 176.600 0.020 0.000 1.038 221 K CA 1.337 57.669 56.287 0.075 0.000 0.967 221 K CB -0.560 31.979 32.500 0.065 0.000 0.780 221 K HN 0.869 nan 8.250 nan 0.000 0.483 222 G N 1.203 110.020 108.800 0.028 0.000 3.690 222 G HA2 0.021 4.159 3.960 0.297 0.000 0.283 222 G HA3 0.021 4.159 3.960 0.297 0.000 0.283 222 G C 0.084 175.061 174.900 0.129 0.000 1.057 222 G CA -0.550 44.571 45.100 0.035 0.000 0.821 222 G HN 0.140 nan 8.290 nan 0.000 0.526 223 R N -0.060 120.495 120.500 0.090 0.000 2.489 223 R HA 0.221 4.739 4.340 0.297 0.000 0.287 223 R C 0.103 176.476 176.300 0.122 0.000 1.053 223 R CA 0.055 56.114 56.100 -0.068 0.000 1.036 223 R CB -0.018 30.192 30.300 -0.149 0.000 0.966 223 R HN 0.353 nan 8.270 nan 0.000 0.432 224 Y N 1.189 121.526 120.300 0.062 0.000 4.884 224 Y HA -0.308 4.420 4.550 0.297 0.000 0.276 224 Y C -0.319 175.511 175.900 -0.117 0.000 0.915 224 Y CA 0.983 59.072 58.100 -0.020 0.000 1.768 224 Y CB -2.056 36.389 38.460 -0.025 0.000 1.172 224 Y HN 0.694 nan 8.280 nan 0.000 0.470 225 Y N 0.127 120.477 120.300 0.083 0.000 2.718 225 Y HA 0.576 5.304 4.550 0.297 0.000 0.322 225 Y C 0.413 176.297 175.900 -0.026 0.000 1.122 225 Y CA 0.166 58.282 58.100 0.026 0.000 1.348 225 Y CB 0.781 39.272 38.460 0.052 0.000 1.174 225 Y HN -0.043 nan 8.280 nan 0.000 0.523 226 S N 0.091 115.824 115.700 0.054 0.000 2.668 226 S HA 0.576 5.224 4.470 0.297 0.000 0.277 226 S C -1.065 173.534 174.600 -0.003 0.000 1.170 226 S CA -0.658 57.564 58.200 0.037 0.000 0.994 226 S CB 1.448 64.667 63.200 0.031 0.000 1.051 226 S HN -0.116 nan 8.310 nan 0.000 0.484 227 V N 4.641 124.560 119.914 0.008 0.000 2.495 227 V HA 0.594 4.892 4.120 0.297 0.000 0.298 227 V C -0.674 175.428 176.094 0.012 0.000 1.031 227 V CA -0.845 61.442 62.300 -0.021 0.000 0.871 227 V CB 1.897 33.703 31.823 -0.028 0.000 0.988 227 V HN 0.776 nan 8.190 nan 0.000 0.432 228 N N 2.902 121.573 118.700 -0.047 0.000 2.346 228 N HA 0.523 5.441 4.740 0.297 0.000 0.289 228 N C -1.104 174.323 175.510 -0.139 0.000 1.027 228 N CA -0.345 52.702 53.050 -0.004 0.000 0.864 228 N CB 2.578 41.044 38.487 -0.035 0.000 1.370 228 N HN 0.368 nan 8.380 nan 0.000 0.481 229 V N 3.538 123.334 119.914 -0.197 0.000 2.266 229 V HA 0.313 4.612 4.120 0.297 0.000 0.271 229 V C -2.119 173.722 176.094 -0.422 0.000 1.032 229 V CA -1.542 60.592 62.300 -0.277 0.000 0.806 229 V CB 1.128 32.818 31.823 -0.223 0.000 1.052 229 V HN 0.474 nan 8.190 nan 0.000 0.449 230 P HA 0.327 nan 4.420 nan 0.000 0.276 230 P C -0.763 176.476 177.300 -0.102 0.000 1.253 230 P CA 0.099 63.067 63.100 -0.220 0.000 0.766 230 P CB 1.457 33.041 31.700 -0.193 0.000 0.845 231 I N 2.686 123.245 120.570 -0.018 0.000 3.023 231 I HA 0.455 4.803 4.170 0.297 0.000 0.312 231 I C 0.719 176.881 176.117 0.075 0.000 1.056 231 I CA -1.076 60.202 61.300 -0.037 0.000 1.033 231 I CB 1.467 39.352 38.000 -0.192 0.000 1.233 231 I HN 0.320 nan 8.210 nan 0.000 0.462 232 Q N 0.797 120.598 119.800 0.002 0.000 2.495 232 Q HA 0.380 4.898 4.340 0.297 0.000 0.283 232 Q C -1.119 174.922 176.000 0.069 0.000 1.097 232 Q CA -0.889 54.943 55.803 0.048 0.000 0.836 232 Q CB 1.318 30.063 28.738 0.012 0.000 1.426 232 Q HN 0.433 nan 8.270 nan 0.000 0.459 233 D N -0.254 120.196 120.400 0.083 0.000 2.370 233 D HA 0.166 4.984 4.640 0.297 0.000 0.235 233 D C 1.194 177.531 176.300 0.062 0.000 1.228 233 D CA 1.599 55.671 54.000 0.120 0.000 0.884 233 D CB 0.266 41.100 40.800 0.058 0.000 1.201 233 D HN 0.777 nan 8.370 nan 0.000 0.456 234 G N 0.279 109.131 108.800 0.087 0.000 2.302 234 G HA2 -0.344 3.794 3.960 0.297 0.000 0.263 234 G HA3 -0.344 3.794 3.960 0.297 0.000 0.263 234 G C 0.693 175.586 174.900 -0.011 0.000 0.995 234 G CA 0.390 45.511 45.100 0.035 0.000 0.622 234 G HN 0.626 nan 8.290 nan 0.000 0.538 235 I N 1.442 121.956 120.570 -0.092 0.000 2.919 235 I HA 0.161 4.509 4.170 0.297 0.000 0.303 235 I C 0.668 176.747 176.117 -0.063 0.000 1.221 235 I CA 0.691 61.911 61.300 -0.134 0.000 1.444 235 I CB 0.332 38.149 38.000 -0.304 0.000 1.331 235 I HN 0.444 nan 8.210 nan 0.000 0.572 236 Q N 5.119 124.907 119.800 -0.020 0.000 2.486 236 Q HA 0.205 4.723 4.340 0.297 0.000 0.274 236 Q C 0.551 176.571 176.000 0.033 0.000 1.076 236 Q CA -0.903 54.898 55.803 -0.004 0.000 0.872 236 Q CB 1.170 29.905 28.738 -0.006 0.000 1.383 236 Q HN 0.620 nan 8.270 nan 0.000 0.478 237 D N 1.060 121.465 120.400 0.010 0.000 2.204 237 D HA -0.285 4.533 4.640 0.297 0.000 0.189 237 D C 1.397 177.771 176.300 0.123 0.000 1.006 237 D CA 1.901 55.924 54.000 0.039 0.000 0.855 237 D CB 0.111 40.905 40.800 -0.010 0.000 0.946 237 D HN 0.606 nan 8.370 nan 0.000 0.448 238 E N 0.481 120.734 120.200 0.088 0.000 2.047 238 E HA -0.192 4.336 4.350 0.297 0.000 0.191 238 E C 2.006 178.671 176.600 0.108 0.000 0.987 238 E CA 1.021 57.491 56.400 0.117 0.000 0.799 238 E CB 0.091 29.832 29.700 0.069 0.000 0.752 238 E HN -0.049 nan 8.360 nan 0.000 0.449 239 K N -0.125 120.312 120.400 0.062 0.000 2.103 239 K HA -0.231 4.267 4.320 0.297 0.000 0.207 239 K C 1.956 178.565 176.600 0.014 0.000 1.048 239 K CA 1.567 57.864 56.287 0.016 0.000 0.930 239 K CB -0.558 31.937 32.500 -0.008 0.000 0.716 239 K HN 0.226 nan 8.250 nan 0.000 0.444 240 Y N -0.516 119.752 120.300 -0.054 0.000 2.220 240 Y HA -0.171 4.558 4.550 0.299 0.000 0.291 240 Y C 2.041 177.932 175.900 -0.016 0.000 1.129 240 Y CA 1.823 59.885 58.100 -0.063 0.000 1.161 240 Y CB -0.484 37.944 38.460 -0.052 0.000 0.997 240 Y HN 0.243 nan 8.280 nan 0.000 0.522 241 Y N 0.669 121.065 120.300 0.161 0.000 2.224 241 Y HA -0.285 4.444 4.550 0.298 0.000 0.289 241 Y C 2.388 178.244 175.900 -0.074 0.000 1.146 241 Y CA 1.911 60.047 58.100 0.060 0.000 1.182 241 Y CB -0.184 38.303 38.460 0.045 0.000 0.983 241 Y HN 0.218 nan 8.280 nan 0.000 0.524 242 Q N 0.277 119.955 119.800 -0.203 0.000 2.050 242 Q HA -0.196 4.322 4.340 0.297 0.000 0.202 242 Q C 2.245 178.045 176.000 -0.333 0.000 0.980 242 Q CA 2.341 57.966 55.803 -0.296 0.000 0.840 242 Q CB -0.172 28.486 28.738 -0.132 0.000 0.898 242 Q HN 0.575 nan 8.270 nan 0.000 0.424 243 I N -0.212 120.188 120.570 -0.283 0.000 2.179 243 I HA -0.335 4.013 4.170 0.297 0.000 0.242 243 I C 2.633 178.546 176.117 -0.340 0.000 1.088 243 I CA 0.675 61.796 61.300 -0.299 0.000 1.357 243 I CB -0.459 37.339 38.000 -0.336 0.000 1.051 243 I HN 0.401 nan 8.210 nan 0.000 0.409 244 C N 0.981 120.039 119.300 -0.402 0.000 2.462 244 C HA -0.167 4.471 4.460 0.297 0.000 0.278 244 C C 2.938 177.708 174.990 -0.367 0.000 1.253 244 C CA 1.227 60.048 59.018 -0.329 0.000 1.713 244 C CB -0.898 26.721 27.740 -0.201 0.000 2.049 244 C HN 0.508 nan 8.230 nan 0.000 0.477 245 E N 0.317 120.121 120.200 -0.659 0.000 2.077 245 E HA -0.180 4.348 4.350 0.297 0.000 0.193 245 E C 2.310 178.592 176.600 -0.529 0.000 0.989 245 E CA 1.590 57.429 56.400 -0.935 0.000 0.800 245 E CB -0.478 28.386 29.700 -1.394 0.000 0.746 245 E HN 0.663 nan 8.360 nan 0.000 0.452 246 S N -0.178 115.294 115.700 -0.380 0.000 2.351 246 S HA -0.139 4.509 4.470 0.297 0.000 0.220 246 S C 2.170 176.700 174.600 -0.116 0.000 1.035 246 S CA 1.756 59.832 58.200 -0.207 0.000 1.031 246 S CB -0.353 62.735 63.200 -0.186 0.000 0.928 246 S HN 0.188 nan 8.310 nan 0.000 0.433 247 V N 1.935 121.775 119.914 -0.123 0.000 2.427 247 V HA -0.058 4.240 4.120 0.297 0.000 0.248 247 V C 2.388 178.507 176.094 0.043 0.000 1.051 247 V CA 1.595 63.864 62.300 -0.053 0.000 1.048 247 V CB -0.679 31.096 31.823 -0.080 0.000 0.666 247 V HN 0.481 nan 8.190 nan 0.000 0.456 248 L N -0.360 120.908 121.223 0.076 0.000 2.291 248 L HA -0.116 4.402 4.340 0.297 0.000 0.214 248 L C 2.491 179.670 176.870 0.515 0.000 1.120 248 L CA 1.280 56.319 54.840 0.332 0.000 0.799 248 L CB -0.447 41.837 42.059 0.375 0.000 0.925 248 L HN 0.322 nan 8.230 nan 0.000 0.446 249 K N 0.119 120.719 120.400 0.332 0.000 2.021 249 K HA -0.130 4.368 4.320 0.297 0.000 0.205 249 K C 1.965 178.706 176.600 0.235 0.000 1.047 249 K CA 0.956 57.471 56.287 0.381 0.000 0.943 249 K CB 0.195 32.839 32.500 0.240 0.000 0.725 249 K HN 0.164 nan 8.250 nan 0.000 0.439 250 E N 0.606 120.882 120.200 0.127 0.000 2.153 250 E HA -0.149 4.379 4.350 0.297 0.000 0.194 250 E C 2.094 178.733 176.600 0.063 0.000 0.988 250 E CA 0.941 57.380 56.400 0.065 0.000 0.811 250 E CB -0.239 29.473 29.700 0.019 0.000 0.746 250 E HN 0.157 nan 8.360 nan 0.000 0.466 251 V N 0.693 120.669 119.914 0.104 0.000 2.379 251 V HA -0.225 4.073 4.120 0.297 0.000 0.245 251 V C 2.172 178.319 176.094 0.090 0.000 1.044 251 V CA 1.409 63.764 62.300 0.092 0.000 1.036 251 V CB -0.650 31.242 31.823 0.115 0.000 0.664 251 V HN 0.176 nan 8.190 nan 0.000 0.453 252 Y N 0.831 121.077 120.300 -0.091 0.000 2.421 252 Y HA -0.202 4.526 4.550 0.297 0.000 0.292 252 Y C 2.446 178.233 175.900 -0.189 0.000 1.136 252 Y CA 1.763 59.661 58.100 -0.335 0.000 1.255 252 Y CB -0.179 37.877 38.460 -0.673 0.000 0.991 252 Y HN 0.284 nan 8.280 nan 0.000 0.552 253 Q N 0.021 119.761 119.800 -0.100 0.000 1.916 253 Q HA -0.069 4.449 4.340 0.297 0.000 0.203 253 Q C 2.546 178.455 176.000 -0.151 0.000 0.983 253 Q CA 2.238 57.961 55.803 -0.134 0.000 0.846 253 Q CB -0.747 27.971 28.738 -0.033 0.000 0.909 253 Q HN 0.429 nan 8.270 nan 0.000 0.427 254 A N -0.675 122.103 122.820 -0.071 0.000 1.902 254 A HA -0.150 4.348 4.320 0.297 0.000 0.217 254 A C 2.001 179.583 177.584 -0.004 0.000 1.181 254 A CA 1.547 53.556 52.037 -0.047 0.000 0.623 254 A CB -0.822 18.155 19.000 -0.038 0.000 0.818 254 A HN 0.524 nan 8.150 nan 0.000 0.443 255 F N 0.007 119.874 119.950 -0.139 0.000 2.262 255 F HA 0.107 4.812 4.527 0.297 0.000 0.292 255 F C 0.864 176.578 175.800 -0.142 0.000 1.081 255 F CA 0.833 58.779 58.000 -0.089 0.000 1.355 255 F CB -0.218 38.754 39.000 -0.046 0.000 1.069 255 F HN 0.481 nan 8.300 nan 0.000 0.506 256 N N 1.321 119.860 118.700 -0.267 0.000 2.586 256 N HA -0.143 4.775 4.740 0.297 0.000 0.282 256 N C -2.673 172.610 175.510 -0.378 0.000 1.171 256 N CA -0.109 52.633 53.050 -0.514 0.000 0.733 256 N CB -0.462 37.737 38.487 -0.479 0.000 0.910 256 N HN 0.084 nan 8.380 nan 0.000 0.548 257 P HA 0.104 nan 4.420 nan 0.000 0.274 257 P C -0.048 177.282 177.300 0.051 0.000 1.256 257 P CA -0.154 62.976 63.100 0.050 0.000 0.795 257 P CB 0.984 32.879 31.700 0.324 0.000 1.038 258 K N -0.534 119.926 120.400 0.100 0.000 2.365 258 K HA 0.436 4.934 4.320 0.297 0.000 0.195 258 K C 0.456 177.077 176.600 0.034 0.000 1.079 258 K CA 0.312 56.713 56.287 0.190 0.000 0.979 258 K CB 0.374 33.103 32.500 0.380 0.000 0.929 258 K HN 0.618 nan 8.250 nan 0.000 0.523 259 A N -0.414 122.302 122.820 -0.174 0.000 2.566 259 A HA 0.745 5.243 4.320 0.297 0.000 0.292 259 A C -1.510 176.000 177.584 -0.123 0.000 1.112 259 A CA -0.654 51.112 52.037 -0.453 0.000 0.707 259 A CB 1.749 20.058 19.000 -1.153 0.000 1.302 259 A HN -0.151 nan 8.150 nan 0.000 0.409 260 V N 0.575 120.434 119.914 -0.092 0.000 2.623 260 V HA 0.491 4.789 4.120 0.297 0.000 0.304 260 V C -0.876 175.216 176.094 -0.002 0.000 1.054 260 V CA -0.546 61.773 62.300 0.032 0.000 0.882 260 V CB 1.699 33.605 31.823 0.138 0.000 1.002 260 V HN 0.725 nan 8.190 nan 0.000 0.424 261 V N 5.821 125.763 119.914 0.047 0.000 2.347 261 V HA 0.491 4.789 4.120 0.297 0.000 0.280 261 V C -0.492 175.625 176.094 0.038 0.000 1.021 261 V CA -0.513 61.831 62.300 0.074 0.000 0.847 261 V CB 1.568 33.503 31.823 0.187 0.000 0.990 261 V HN 0.632 nan 8.190 nan 0.000 0.444 262 L N 4.806 126.018 121.223 -0.019 0.000 2.305 262 L HA 0.519 5.037 4.340 0.297 0.000 0.284 262 L C -0.175 176.670 176.870 -0.041 0.000 1.013 262 L CA 0.167 54.968 54.840 -0.066 0.000 0.819 262 L CB 1.548 43.583 42.059 -0.041 0.000 1.227 262 L HN 0.620 nan 8.230 nan 0.000 0.417 263 Q N 5.454 125.210 119.800 -0.073 0.000 2.303 263 Q HA 0.354 4.872 4.340 0.297 0.000 0.257 263 Q C -1.154 174.898 176.000 0.088 0.000 0.941 263 Q CA -0.218 55.600 55.803 0.026 0.000 0.931 263 Q CB 1.227 30.000 28.738 0.058 0.000 1.215 263 Q HN 0.759 nan 8.270 nan 0.000 0.437 264 L N 3.653 124.969 121.223 0.155 0.000 3.030 264 L HA 0.361 4.879 4.340 0.297 0.000 0.252 264 L C 0.855 177.967 176.870 0.403 0.000 1.316 264 L CA -0.746 54.257 54.840 0.272 0.000 0.975 264 L CB 0.791 43.057 42.059 0.345 0.000 1.357 264 L HN 0.619 nan 8.230 nan 0.000 0.534 265 G N 0.332 109.320 108.800 0.313 0.000 2.225 265 G HA2 0.185 4.323 3.960 0.297 0.000 0.245 265 G HA3 0.185 4.323 3.960 0.297 0.000 0.245 265 G C 0.844 175.914 174.900 0.283 0.000 1.249 265 G CA 0.243 45.546 45.100 0.337 0.000 0.919 265 G HN 0.573 nan 8.290 nan 0.000 0.486 266 A N 2.237 125.174 122.820 0.196 0.000 2.327 266 A HA 0.208 4.706 4.320 0.297 0.000 0.228 266 A C 1.426 178.958 177.584 -0.086 0.000 1.275 266 A CA 0.607 52.614 52.037 -0.050 0.000 0.875 266 A CB 0.027 18.754 19.000 -0.455 0.000 0.925 266 A HN 0.622 nan 8.150 nan 0.000 0.493 267 D N -0.783 119.624 120.400 0.013 0.000 2.328 267 D HA -0.077 4.741 4.640 0.297 0.000 0.226 267 D C 1.308 177.632 176.300 0.039 0.000 1.066 267 D CA 1.124 55.159 54.000 0.057 0.000 0.861 267 D CB -0.760 40.190 40.800 0.249 0.000 0.912 267 D HN 0.389 nan 8.370 nan 0.000 0.521 268 T N -2.287 112.283 114.554 0.025 0.000 3.031 268 T HA 0.121 4.649 4.350 0.297 0.000 0.254 268 T C 0.924 175.657 174.700 0.055 0.000 1.060 268 T CA -0.410 61.715 62.100 0.042 0.000 1.135 268 T CB -0.246 68.711 68.868 0.149 0.000 0.896 268 T HN -0.073 nan 8.240 nan 0.000 0.472 269 I N 3.098 123.662 120.570 -0.010 0.000 2.880 269 I HA 0.281 4.629 4.170 0.297 0.000 0.296 269 I C 1.116 177.215 176.117 -0.031 0.000 1.220 269 I CA -0.419 60.853 61.300 -0.047 0.000 1.435 269 I CB -0.122 37.813 38.000 -0.109 0.000 1.339 269 I HN 0.437 nan 8.210 nan 0.000 0.583 270 A N 4.889 127.688 122.820 -0.034 0.000 2.531 270 A HA 0.442 4.940 4.320 0.297 0.000 0.236 270 A C 1.348 178.907 177.584 -0.043 0.000 1.062 270 A CA 0.477 52.499 52.037 -0.024 0.000 0.760 270 A CB -0.526 18.454 19.000 -0.032 0.000 0.995 270 A HN 1.500 nan 8.150 nan 0.000 0.501 271 G N 1.596 110.379 108.800 -0.029 0.000 2.254 271 G HA2 -0.230 3.908 3.960 0.297 0.000 0.225 271 G HA3 -0.230 3.908 3.960 0.297 0.000 0.225 271 G C 0.118 174.998 174.900 -0.033 0.000 1.003 271 G CA 0.520 45.594 45.100 -0.043 0.000 0.622 271 G HN 1.098 nan 8.290 nan 0.000 0.507 272 D N 1.606 121.995 120.400 -0.017 0.000 2.423 272 D HA 0.403 5.221 4.640 0.297 0.000 0.238 272 D C 0.029 176.358 176.300 0.048 0.000 1.142 272 D CA -0.640 53.370 54.000 0.018 0.000 0.884 272 D CB 1.198 42.026 40.800 0.046 0.000 1.199 272 D HN 0.121 nan 8.370 nan 0.000 0.438 273 P HA -0.127 nan 4.420 nan 0.000 0.234 273 P C 1.127 178.475 177.300 0.080 0.000 1.167 273 P CA 0.507 63.642 63.100 0.059 0.000 0.763 273 P CB 0.182 31.913 31.700 0.052 0.000 0.835 274 M N -0.408 119.267 119.600 0.125 0.000 2.229 274 M HA -0.011 4.647 4.480 0.297 0.000 0.264 274 M C 1.093 177.459 176.300 0.111 0.000 1.063 274 M CA 0.545 55.935 55.300 0.151 0.000 1.114 274 M CB -1.541 31.188 32.600 0.213 0.000 1.387 274 M HN -0.025 nan 8.290 nan 0.000 0.420 275 C N 0.588 119.934 119.300 0.075 0.000 4.114 275 C HA -0.226 4.412 4.460 0.297 0.000 0.300 275 C C 1.719 176.740 174.990 0.052 0.000 1.423 275 C CA 0.484 59.535 59.018 0.056 0.000 2.034 275 C CB -2.317 25.452 27.740 0.048 0.000 1.299 275 C HN 0.735 nan 8.230 nan 0.000 0.727 276 S N -1.173 114.550 115.700 0.037 0.000 2.696 276 S HA 0.413 5.061 4.470 0.297 0.000 0.172 276 S C 0.630 175.353 174.600 0.205 0.000 0.767 276 S CA 0.084 58.295 58.200 0.020 0.000 0.856 276 S CB -0.160 62.916 63.200 -0.205 0.000 0.782 276 S HN 0.607 nan 8.310 nan 0.000 0.582 277 F N 1.929 121.873 119.950 -0.010 0.000 2.456 277 F HA 0.202 4.907 4.527 0.296 0.000 0.306 277 F C 1.074 176.867 175.800 -0.012 0.000 1.278 277 F CA -0.150 57.849 58.000 -0.001 0.000 1.264 277 F CB 0.243 39.252 39.000 0.015 0.000 1.253 277 F HN 0.245 nan 8.300 nan 0.000 0.554 278 N N 0.628 119.439 118.700 0.185 0.000 2.628 278 N HA 0.144 5.062 4.740 0.297 0.000 0.299 278 N C -0.906 174.613 175.510 0.015 0.000 1.834 278 N CA -0.150 52.942 53.050 0.070 0.000 0.871 278 N CB 0.184 38.696 38.487 0.041 0.000 1.377 278 N HN 0.286 nan 8.380 nan 0.000 0.493 279 M N 0.020 119.624 119.600 0.006 0.000 2.159 279 M HA 0.389 5.047 4.480 0.297 0.000 0.293 279 M C 0.816 177.065 176.300 -0.085 0.000 1.186 279 M CA -0.134 55.121 55.300 -0.075 0.000 1.073 279 M CB 0.474 32.986 32.600 -0.148 0.000 1.419 279 M HN 0.342 nan 8.290 nan 0.000 0.490 280 T N -3.058 111.426 114.554 -0.117 0.000 2.901 280 T HA 0.507 5.035 4.350 0.297 0.000 0.293 280 T C -2.497 172.099 174.700 -0.174 0.000 1.084 280 T CA -1.638 60.374 62.100 -0.146 0.000 1.008 280 T CB 1.880 70.653 68.868 -0.158 0.000 1.170 280 T HN 0.261 nan 8.240 nan 0.000 0.509 281 P HA -0.044 nan 4.420 nan 0.000 0.221 281 P C 1.520 178.699 177.300 -0.202 0.000 1.145 281 P CA 0.466 63.440 63.100 -0.210 0.000 0.795 281 P CB -0.072 31.435 31.700 -0.323 0.000 0.775 282 V N -0.672 119.027 119.914 -0.358 0.000 2.591 282 V HA -0.079 4.219 4.120 0.297 0.000 0.249 282 V C 2.555 178.625 176.094 -0.039 0.000 1.053 282 V CA 2.201 64.404 62.300 -0.161 0.000 1.068 282 V CB -1.760 29.941 31.823 -0.204 0.000 0.689 282 V HN 0.156 nan 8.190 nan 0.000 0.462 283 G N 0.729 109.485 108.800 -0.074 0.000 2.421 283 G HA2 -0.191 3.947 3.960 0.297 0.000 0.216 283 G HA3 -0.191 3.947 3.960 0.297 0.000 0.216 283 G C 1.446 176.350 174.900 0.008 0.000 1.171 283 G CA 0.897 45.972 45.100 -0.041 0.000 0.775 283 G HN 0.375 nan 8.290 nan 0.000 0.543 284 I N 2.041 122.604 120.570 -0.011 0.000 2.286 284 I HA -0.064 4.284 4.170 0.297 0.000 0.248 284 I C 3.011 179.205 176.117 0.128 0.000 1.115 284 I CA 1.118 62.456 61.300 0.064 0.000 1.392 284 I CB -1.660 36.383 38.000 0.072 0.000 1.065 284 I HN 0.219 nan 8.210 nan 0.000 0.418 285 G N 1.126 110.020 108.800 0.156 0.000 2.440 285 G HA2 -0.257 3.881 3.960 0.297 0.000 0.218 285 G HA3 -0.257 3.881 3.960 0.297 0.000 0.218 285 G C 1.803 176.730 174.900 0.046 0.000 1.154 285 G CA 0.487 45.681 45.100 0.158 0.000 0.767 285 G HN 0.340 nan 8.290 nan 0.000 0.552 286 K N -0.452 119.920 120.400 -0.046 0.000 2.113 286 K HA -0.117 4.381 4.320 0.297 0.000 0.208 286 K C 2.613 179.198 176.600 -0.024 0.000 1.047 286 K CA 1.281 57.403 56.287 -0.274 0.000 0.928 286 K CB -0.332 31.680 32.500 -0.813 0.000 0.716 286 K HN 0.376 nan 8.250 nan 0.000 0.446 287 C N 0.346 119.757 119.300 0.185 0.000 2.466 287 C HA -0.048 4.590 4.460 0.297 0.000 0.278 287 C C 2.494 177.572 174.990 0.148 0.000 1.288 287 C CA -0.010 59.186 59.018 0.296 0.000 1.722 287 C CB -0.698 27.225 27.740 0.304 0.000 2.017 287 C HN 0.456 nan 8.230 nan 0.000 0.488 288 L N 1.742 123.021 121.223 0.093 0.000 1.989 288 L HA -0.126 4.392 4.340 0.297 0.000 0.211 288 L C 2.411 179.258 176.870 -0.039 0.000 1.071 288 L CA 1.923 56.778 54.840 0.026 0.000 0.749 288 L CB -0.923 41.169 42.059 0.054 0.000 0.890 288 L HN 0.252 nan 8.230 nan 0.000 0.431 289 K N -1.533 118.856 120.400 -0.018 0.000 2.020 289 K HA -0.290 4.208 4.320 0.297 0.000 0.212 289 K C 2.210 178.751 176.600 -0.098 0.000 1.050 289 K CA 2.232 58.486 56.287 -0.054 0.000 0.929 289 K CB -0.647 31.832 32.500 -0.036 0.000 0.714 289 K HN 0.392 nan 8.250 nan 0.000 0.443 290 Y N 1.309 121.522 120.300 -0.145 0.000 2.241 290 Y HA -0.230 4.497 4.550 0.296 0.000 0.286 290 Y C 1.774 177.267 175.900 -0.679 0.000 1.166 290 Y CA 1.460 59.419 58.100 -0.234 0.000 1.203 290 Y CB 0.008 38.449 38.460 -0.032 0.000 0.977 290 Y HN 0.064 nan 8.280 nan 0.000 0.529 291 I N -1.181 119.011 120.570 -0.630 0.000 2.400 291 I HA -0.242 4.106 4.170 0.297 0.000 0.248 291 I C 2.103 177.780 176.117 -0.732 0.000 1.109 291 I CA 0.644 61.281 61.300 -1.105 0.000 1.425 291 I CB -0.276 37.379 38.000 -0.575 0.000 1.094 291 I HN 0.171 nan 8.210 nan 0.000 0.425 292 L N 0.590 121.582 121.223 -0.385 0.000 2.083 292 L HA -0.238 4.280 4.340 0.297 0.000 0.209 292 L C 2.668 179.409 176.870 -0.216 0.000 1.083 292 L CA 1.179 55.888 54.840 -0.218 0.000 0.752 292 L CB -0.691 41.283 42.059 -0.141 0.000 0.899 292 L HN 0.383 nan 8.230 nan 0.000 0.433 293 Q N -0.020 119.589 119.800 -0.317 0.000 2.376 293 Q HA -0.237 4.281 4.340 0.297 0.000 0.211 293 Q C 1.654 177.569 176.000 -0.142 0.000 0.986 293 Q CA 1.408 57.065 55.803 -0.244 0.000 0.886 293 Q CB -0.100 28.457 28.738 -0.301 0.000 0.927 293 Q HN 0.557 nan 8.270 nan 0.000 0.457 294 W N 0.909 122.035 121.300 -0.289 0.000 2.825 294 W HA 0.048 4.887 4.660 0.298 0.000 0.243 294 W C 0.815 177.245 176.519 -0.148 0.000 1.293 294 W CA 0.443 57.587 57.345 -0.334 0.000 1.403 294 W CB -0.370 28.792 29.460 -0.496 0.000 1.134 294 W HN 0.379 nan 8.180 nan 0.000 0.666 295 Q N -1.014 118.839 119.800 0.089 0.000 2.450 295 Q HA -0.242 4.276 4.340 0.297 0.000 0.255 295 Q C 0.130 176.187 176.000 0.095 0.000 1.003 295 Q CA 0.554 56.397 55.803 0.066 0.000 1.097 295 Q CB -2.203 26.568 28.738 0.056 0.000 1.544 295 Q HN 0.259 nan 8.270 nan 0.000 0.531 296 L N -0.285 121.018 121.223 0.134 0.000 2.468 296 L HA 0.529 5.047 4.340 0.297 0.000 0.254 296 L C 1.004 177.909 176.870 0.059 0.000 1.171 296 L CA -0.056 54.859 54.840 0.125 0.000 0.809 296 L CB 0.284 42.445 42.059 0.171 0.000 1.155 296 L HN 0.166 nan 8.230 nan 0.000 0.473 297 A N 0.427 123.253 122.820 0.009 0.000 2.429 297 A HA 0.498 4.996 4.320 0.297 0.000 0.242 297 A C -0.120 177.418 177.584 -0.077 0.000 1.088 297 A CA 0.169 52.180 52.037 -0.042 0.000 0.784 297 A CB 0.049 18.977 19.000 -0.120 0.000 1.038 297 A HN 0.683 nan 8.150 nan 0.000 0.501 298 T N 1.080 115.590 114.554 -0.073 0.000 3.237 298 T HA 0.405 4.933 4.350 0.297 0.000 0.319 298 T C -1.268 173.375 174.700 -0.095 0.000 1.037 298 T CA -0.299 61.756 62.100 -0.075 0.000 1.048 298 T CB 1.026 69.858 68.868 -0.059 0.000 1.081 298 T HN 0.682 nan 8.240 nan 0.000 0.455 299 L N 5.334 126.499 121.223 -0.097 0.000 2.283 299 L HA 0.554 5.072 4.340 0.297 0.000 0.281 299 L C -0.785 176.002 176.870 -0.139 0.000 1.033 299 L CA -0.719 54.053 54.840 -0.114 0.000 0.848 299 L CB 0.092 42.100 42.059 -0.086 0.000 1.226 299 L HN 0.538 nan 8.230 nan 0.000 0.429 300 I N 6.195 126.626 120.570 -0.230 0.000 2.416 300 I HA 0.270 4.618 4.170 0.297 0.000 0.288 300 I C -0.002 175.872 176.117 -0.404 0.000 1.051 300 I CA -0.072 61.029 61.300 -0.332 0.000 1.375 300 I CB 0.777 38.458 38.000 -0.531 0.000 1.407 300 I HN 0.542 nan 8.210 nan 0.000 0.516 301 L N 4.713 125.779 121.223 -0.262 0.000 2.371 301 L HA 0.645 5.163 4.340 0.297 0.000 0.262 301 L C 0.868 177.678 176.870 -0.100 0.000 1.006 301 L CA -0.591 54.132 54.840 -0.195 0.000 0.818 301 L CB 2.109 44.129 42.059 -0.065 0.000 1.354 301 L HN 0.675 nan 8.230 nan 0.000 0.415 302 G N -0.147 108.567 108.800 -0.144 0.000 3.086 302 G HA2 0.706 4.844 3.960 0.297 0.000 0.159 302 G HA3 0.706 4.844 3.960 0.297 0.000 0.159 302 G C 0.158 175.117 174.900 0.097 0.000 1.654 302 G CA 0.304 45.229 45.100 -0.292 0.000 1.078 302 G HN 0.990 nan 8.290 nan 0.000 0.558 303 G N -2.053 106.924 108.800 0.296 0.000 2.384 303 G HA2 0.503 4.641 3.960 0.297 0.000 0.150 303 G HA3 0.503 4.641 3.960 0.297 0.000 0.150 303 G C 0.437 175.527 174.900 0.318 0.000 1.269 303 G CA 0.220 45.480 45.100 0.268 0.000 1.094 303 G HN 1.441 nan 8.290 nan 0.000 0.467 304 G N -0.747 108.183 108.800 0.216 0.000 2.732 304 G HA2 0.620 4.758 3.960 0.297 0.000 0.244 304 G HA3 0.620 4.758 3.960 0.297 0.000 0.244 304 G C 0.679 175.444 174.900 -0.226 0.000 1.226 304 G CA 0.951 46.069 45.100 0.031 0.000 0.860 304 G HN 2.201 nan 8.290 nan 0.000 0.583 305 G N -0.924 107.348 108.800 -0.880 0.000 2.225 305 G HA2 0.185 4.323 3.960 0.297 0.000 0.184 305 G HA3 0.185 4.323 3.960 0.297 0.000 0.184 305 G C -0.434 173.948 174.900 -0.863 0.000 2.549 305 G CA -0.563 44.134 45.100 -0.671 0.000 0.925 305 G HN 0.630 nan 8.290 nan 0.000 0.550 306 Y N 0.914 121.187 120.300 -0.044 0.000 2.485 306 Y HA 0.335 5.063 4.550 0.296 0.000 0.260 306 Y C 1.316 177.163 175.900 -0.089 0.000 1.173 306 Y CA -0.496 57.575 58.100 -0.048 0.000 1.252 306 Y CB 0.956 39.416 38.460 -0.001 0.000 1.123 306 Y HN 0.463 nan 8.280 nan 0.000 0.524 307 N N 1.698 120.344 118.700 -0.091 0.000 2.707 307 N HA 0.149 5.067 4.740 0.297 0.000 0.235 307 N C 0.729 176.110 175.510 -0.216 0.000 1.028 307 N CA 0.075 53.051 53.050 -0.123 0.000 0.906 307 N CB 0.473 38.886 38.487 -0.123 0.000 1.131 307 N HN 0.321 nan 8.380 nan 0.000 0.509 308 L N 2.054 123.155 121.223 -0.204 0.000 1.991 308 L HA -0.293 4.225 4.340 0.297 0.000 0.221 308 L C 2.393 179.071 176.870 -0.321 0.000 1.079 308 L CA 2.167 56.853 54.840 -0.257 0.000 0.778 308 L CB -0.946 40.983 42.059 -0.217 0.000 0.893 308 L HN 0.488 nan 8.230 nan 0.000 0.437 309 A N 0.195 122.788 122.820 -0.378 0.000 1.865 309 A HA -0.246 4.252 4.320 0.297 0.000 0.217 309 A C 2.062 179.447 177.584 -0.330 0.000 1.191 309 A CA 2.242 53.950 52.037 -0.548 0.000 0.623 309 A CB -0.725 17.803 19.000 -0.786 0.000 0.826 309 A HN 0.480 nan 8.150 nan 0.000 0.444 310 N N -0.356 118.174 118.700 -0.284 0.000 2.149 310 N HA -0.108 4.810 4.740 0.297 0.000 0.188 310 N C 1.733 177.049 175.510 -0.322 0.000 1.019 310 N CA 1.897 54.806 53.050 -0.235 0.000 0.857 310 N CB -0.788 37.572 38.487 -0.212 0.000 0.997 310 N HN 0.542 nan 8.380 nan 0.000 0.426 311 T N 0.579 114.863 114.554 -0.449 0.000 2.746 311 T HA -0.044 4.484 4.350 0.297 0.000 0.267 311 T C 1.930 176.184 174.700 -0.744 0.000 1.039 311 T CA 1.326 62.954 62.100 -0.787 0.000 1.142 311 T CB -0.332 67.981 68.868 -0.925 0.000 0.866 311 T HN 0.337 nan 8.240 nan 0.000 0.444 312 A N 1.810 124.396 122.820 -0.388 0.000 1.933 312 A HA -0.104 4.394 4.320 0.297 0.000 0.218 312 A C 2.387 179.914 177.584 -0.095 0.000 1.175 312 A CA 1.222 53.160 52.037 -0.164 0.000 0.628 312 A CB -0.455 18.576 19.000 0.051 0.000 0.814 312 A HN 0.377 nan 8.150 nan 0.000 0.444 313 R N -1.117 119.353 120.500 -0.049 0.000 2.081 313 R HA -0.171 4.347 4.340 0.297 0.000 0.235 313 R C 2.414 178.669 176.300 -0.076 0.000 1.131 313 R CA 1.555 57.650 56.100 -0.009 0.000 0.960 313 R CB -0.952 29.348 30.300 0.000 0.000 0.856 313 R HN 0.681 nan 8.270 nan 0.000 0.436 314 C N -0.049 119.134 119.300 -0.196 0.000 2.462 314 C HA -0.076 4.562 4.460 0.297 0.000 0.278 314 C C 2.374 177.350 174.990 -0.025 0.000 1.253 314 C CA 0.233 59.161 59.018 -0.149 0.000 1.713 314 C CB -1.010 26.556 27.740 -0.290 0.000 2.049 314 C HN 0.600 nan 8.230 nan 0.000 0.477 315 W N 1.049 122.129 121.300 -0.367 0.000 2.402 315 W HA 0.051 4.891 4.660 0.299 0.000 0.286 315 W C 2.577 178.861 176.519 -0.392 0.000 1.221 315 W CA 1.438 58.335 57.345 -0.746 0.000 1.257 315 W CB -1.784 26.771 29.460 -1.508 0.000 1.120 315 W HN 0.345 nan 8.180 nan 0.000 0.551 316 T N -0.131 114.399 114.554 -0.041 0.000 2.701 316 T HA -0.271 4.257 4.350 0.297 0.000 0.263 316 T C 1.538 176.202 174.700 -0.060 0.000 1.040 316 T CA 1.653 63.725 62.100 -0.048 0.000 1.147 316 T CB -0.976 67.824 68.868 -0.114 0.000 0.865 316 T HN 0.131 nan 8.240 nan 0.000 0.426 317 Y N 1.824 122.037 120.300 -0.145 0.000 2.193 317 Y HA -0.109 4.618 4.550 0.295 0.000 0.285 317 Y C 1.924 177.806 175.900 -0.030 0.000 1.166 317 Y CA 1.156 59.181 58.100 -0.125 0.000 1.181 317 Y CB -0.519 37.880 38.460 -0.102 0.000 0.976 317 Y HN 0.139 nan 8.280 nan 0.000 0.520 318 L N -1.138 120.118 121.223 0.056 0.000 2.156 318 L HA -0.153 4.365 4.340 0.297 0.000 0.208 318 L C 2.150 179.091 176.870 0.118 0.000 1.095 318 L CA 1.512 56.402 54.840 0.084 0.000 0.770 318 L CB -0.708 41.544 42.059 0.322 0.000 0.914 318 L HN 0.140 nan 8.230 nan 0.000 0.439 319 T N -0.433 114.246 114.554 0.208 0.000 3.007 319 T HA -0.057 4.472 4.350 0.297 0.000 0.270 319 T C 1.725 176.426 174.700 0.003 0.000 1.107 319 T CA 1.037 63.265 62.100 0.213 0.000 1.118 319 T CB -0.102 68.942 68.868 0.293 0.000 0.889 319 T HN 0.547 nan 8.240 nan 0.000 0.506 320 G N 1.192 109.916 108.800 -0.126 0.000 2.426 320 G HA2 -0.065 4.073 3.960 0.297 0.000 0.214 320 G HA3 -0.065 4.073 3.960 0.297 0.000 0.214 320 G C 1.706 176.465 174.900 -0.234 0.000 1.156 320 G CA 0.765 45.737 45.100 -0.213 0.000 0.802 320 G HN 0.533 nan 8.290 nan 0.000 0.534 321 V N -0.992 118.737 119.914 -0.309 0.000 3.217 321 V HA 0.130 4.428 4.120 0.297 0.000 0.264 321 V C 2.244 178.265 176.094 -0.122 0.000 1.135 321 V CA 0.540 62.695 62.300 -0.242 0.000 1.142 321 V CB -0.335 31.323 31.823 -0.276 0.000 0.754 321 V HN 0.181 nan 8.190 nan 0.000 0.484 322 I N 0.370 120.892 120.570 -0.080 0.000 2.617 322 I HA 0.068 4.416 4.170 0.297 0.000 0.256 322 I C 1.883 177.971 176.117 -0.047 0.000 1.167 322 I CA 1.416 62.689 61.300 -0.045 0.000 1.469 322 I CB -0.351 37.643 38.000 -0.010 0.000 1.098 322 I HN 0.376 nan 8.210 nan 0.000 0.436 323 L N 0.071 121.261 121.223 -0.055 0.000 2.872 323 L HA 0.306 4.824 4.340 0.297 0.000 0.245 323 L C 1.503 178.340 176.870 -0.055 0.000 1.211 323 L CA 0.074 54.886 54.840 -0.047 0.000 1.013 323 L CB -0.107 41.928 42.059 -0.040 0.000 1.326 323 L HN 0.331 nan 8.230 nan 0.000 0.525 324 G N 0.184 108.943 108.800 -0.069 0.000 2.230 324 G HA2 -0.309 3.829 3.960 0.297 0.000 0.270 324 G HA3 -0.309 3.829 3.960 0.297 0.000 0.270 324 G C 0.689 175.549 174.900 -0.066 0.000 0.987 324 G CA 0.665 45.725 45.100 -0.067 0.000 0.664 324 G HN 0.278 nan 8.290 nan 0.000 0.539 325 K N 0.435 120.790 120.400 -0.074 0.000 2.120 325 K HA 0.514 5.012 4.320 0.297 0.000 0.245 325 K C 0.711 177.263 176.600 -0.081 0.000 1.024 325 K CA 0.618 56.868 56.287 -0.062 0.000 0.906 325 K CB 0.481 32.950 32.500 -0.053 0.000 1.051 325 K HN 0.505 nan 8.250 nan 0.000 0.491 326 T N -1.255 113.271 114.554 -0.046 0.000 3.068 326 T HA 0.406 4.934 4.350 0.297 0.000 0.364 326 T C 0.377 175.077 174.700 0.001 0.000 1.161 326 T CA -0.820 61.263 62.100 -0.029 0.000 1.155 326 T CB -0.204 68.664 68.868 0.001 0.000 1.060 326 T HN 0.276 nan 8.240 nan 0.000 0.513 327 L N 2.039 123.242 121.223 -0.033 0.000 2.499 327 L HA 0.237 4.755 4.340 0.297 0.000 0.281 327 L C 1.309 178.256 176.870 0.129 0.000 1.234 327 L CA -0.448 54.392 54.840 0.001 0.000 0.839 327 L CB 0.368 42.237 42.059 -0.317 0.000 1.104 327 L HN 0.687 nan 8.230 nan 0.000 0.500 328 S N 0.730 116.610 115.700 0.300 0.000 2.549 328 S HA -0.031 4.617 4.470 0.297 0.000 0.283 328 S C 1.203 175.958 174.600 0.258 0.000 1.320 328 S CA -0.077 58.271 58.200 0.246 0.000 1.058 328 S CB 1.089 64.407 63.200 0.197 0.000 0.882 328 S HN 0.679 nan 8.310 nan 0.000 0.498 329 S N 2.629 118.422 115.700 0.155 0.000 2.402 329 S HA -0.031 4.617 4.470 0.297 0.000 0.229 329 S C 0.387 175.077 174.600 0.151 0.000 1.021 329 S CA 0.673 58.954 58.200 0.134 0.000 0.974 329 S CB -0.356 62.897 63.200 0.088 0.000 0.800 329 S HN 0.839 nan 8.310 nan 0.000 0.484 330 E N 1.525 121.806 120.200 0.135 0.000 2.259 330 E HA 0.184 4.712 4.350 0.297 0.000 0.281 330 E C -0.392 176.293 176.600 0.142 0.000 1.037 330 E CA -0.218 56.265 56.400 0.137 0.000 0.854 330 E CB 0.537 30.292 29.700 0.092 0.000 1.051 330 E HN 0.427 nan 8.360 nan 0.000 0.409 331 I N 4.899 125.591 120.570 0.204 0.000 2.505 331 I HA 0.015 4.363 4.170 0.297 0.000 0.287 331 I C -1.915 174.276 176.117 0.124 0.000 1.104 331 I CA -1.566 59.829 61.300 0.158 0.000 1.387 331 I CB 0.068 38.155 38.000 0.145 0.000 1.404 331 I HN 0.108 nan 8.210 nan 0.000 0.528 332 P HA -0.061 nan 4.420 nan 0.000 0.266 332 P C -0.653 176.629 177.300 -0.030 0.000 1.193 332 P CA -0.094 62.875 63.100 -0.218 0.000 0.770 332 P CB 0.399 31.812 31.700 -0.478 0.000 0.836 333 D N 2.315 122.560 120.400 -0.257 0.000 2.424 333 D HA 0.130 4.948 4.640 0.297 0.000 0.244 333 D C 0.093 176.381 176.300 -0.020 0.000 1.134 333 D CA 0.556 54.303 54.000 -0.422 0.000 0.881 333 D CB 0.331 40.780 40.800 -0.584 0.000 1.191 333 D HN 0.482 nan 8.370 nan 0.000 0.445 334 H N 1.033 120.065 119.070 -0.063 0.000 2.888 334 H HA 0.188 4.929 4.556 0.307 0.000 0.267 334 H C 0.452 175.797 175.328 0.028 0.000 1.482 334 H CA -0.629 55.410 56.048 -0.015 0.000 1.165 334 H CB 0.304 30.070 29.762 0.008 0.000 1.866 334 H HN 0.345 nan 8.280 nan 0.000 0.599 335 E N 0.426 120.634 120.200 0.013 0.000 2.136 335 E HA -0.154 4.374 4.350 0.297 0.000 0.208 335 E C 0.495 176.746 176.600 -0.582 0.000 1.035 335 E CA 1.965 58.190 56.400 -0.292 0.000 0.838 335 E CB -0.213 29.329 29.700 -0.262 0.000 0.748 335 E HN 0.467 nan 8.360 nan 0.000 0.459 336 F N -1.118 118.711 119.950 -0.201 0.000 2.708 336 F HA 0.178 4.880 4.527 0.291 0.000 0.300 336 F C 1.276 177.034 175.800 -0.070 0.000 1.118 336 F CA -0.602 57.359 58.000 -0.065 0.000 1.307 336 F CB -0.421 38.698 39.000 0.200 0.000 0.986 336 F HN -0.074 nan 8.300 nan 0.000 0.522 337 F N 1.868 121.575 119.950 -0.405 0.000 2.085 337 F HA -0.381 3.926 4.527 -0.367 0.000 0.299 337 F C 2.638 178.639 175.800 0.335 0.000 1.096 337 F CA 2.370 60.328 58.000 -0.070 0.000 1.227 337 F CB -0.300 38.630 39.000 -0.116 0.000 0.983 337 F HN 0.141 nan 8.300 nan 0.000 0.482 338 T N -1.387 113.263 114.554 0.159 0.000 2.849 338 T HA -0.158 4.370 4.350 0.297 0.000 0.270 338 T C 1.860 176.587 174.700 0.045 0.000 1.066 338 T CA 0.907 63.076 62.100 0.115 0.000 1.130 338 T CB -1.005 67.934 68.868 0.117 0.000 0.864 338 T HN 0.363 nan 8.240 nan 0.000 0.481 339 A N -0.013 122.835 122.820 0.047 0.000 2.235 339 A HA 0.227 4.725 4.320 0.297 0.000 0.208 339 A C 1.189 178.521 177.584 -0.419 0.000 1.172 339 A CA 0.141 52.084 52.037 -0.156 0.000 0.786 339 A CB -0.794 18.111 19.000 -0.159 0.000 0.804 339 A HN 0.642 nan 8.150 nan 0.000 0.479 340 Y N -0.008 120.132 120.300 -0.268 0.000 2.532 340 Y HA 0.329 5.046 4.550 0.279 0.000 0.283 340 Y C 1.653 177.003 175.900 -0.917 0.000 1.181 340 Y CA -0.549 57.307 58.100 -0.407 0.000 1.256 340 Y CB -0.298 38.036 38.460 -0.209 0.000 1.112 340 Y HN 0.267 nan 8.280 nan 0.000 0.521 341 G N 0.803 109.038 108.800 -0.942 0.000 2.651 341 G HA2 0.225 4.363 3.960 0.297 0.000 0.260 341 G HA3 0.225 4.363 3.960 0.297 0.000 0.260 341 G C -1.640 172.930 174.900 -0.550 0.000 1.216 341 G CA -0.880 43.531 45.100 -1.149 0.000 0.913 341 G HN 0.099 nan 8.290 nan 0.000 0.535 342 P HA 0.171 nan 4.420 nan 0.000 0.257 342 P C 0.564 177.789 177.300 -0.126 0.000 1.241 342 P CA 0.380 63.341 63.100 -0.232 0.000 0.816 342 P CB 0.734 32.388 31.700 -0.077 0.000 1.150 343 D N -1.810 118.478 120.400 -0.187 0.000 2.355 343 D HA 0.048 4.866 4.640 0.297 0.000 0.206 343 D C -0.020 176.370 176.300 0.150 0.000 1.010 343 D CA 0.284 54.298 54.000 0.023 0.000 0.875 343 D CB -0.124 40.676 40.800 0.000 0.000 0.966 343 D HN 0.081 nan 8.370 nan 0.000 0.512 344 Y N -0.205 120.098 120.300 0.005 0.000 3.234 344 Y HA -0.242 4.704 4.550 0.659 0.000 0.207 344 Y C 0.006 175.957 175.900 0.086 0.000 1.316 344 Y CA -0.186 57.926 58.100 0.020 0.000 1.309 344 Y CB -2.176 36.269 38.460 -0.025 0.000 1.408 344 Y HN -0.103 nan 8.280 nan 0.000 0.544 345 V N -2.959 117.040 119.914 0.141 0.000 3.001 345 V HA 0.606 4.904 4.120 0.297 0.000 0.314 345 V C 0.471 176.632 176.094 0.113 0.000 1.099 345 V CA -1.124 61.255 62.300 0.130 0.000 0.989 345 V CB 2.010 33.885 31.823 0.087 0.000 1.040 345 V HN 0.058 nan 8.190 nan 0.000 0.434 346 L N 0.522 121.813 121.223 0.113 0.000 2.478 346 L HA 0.352 4.870 4.340 0.297 0.000 0.223 346 L C 0.878 177.745 176.870 -0.004 0.000 1.140 346 L CA 1.243 56.133 54.840 0.083 0.000 0.842 346 L CB -0.527 41.591 42.059 0.098 0.000 0.953 346 L HN 0.891 nan 8.230 nan 0.000 0.452 347 E N 0.088 120.277 120.200 -0.019 0.000 2.313 347 E HA 0.375 4.903 4.350 0.297 0.000 0.272 347 E C -0.614 175.939 176.600 -0.079 0.000 1.038 347 E CA -0.244 56.107 56.400 -0.081 0.000 0.863 347 E CB 1.063 30.724 29.700 -0.065 0.000 1.060 347 E HN -0.024 nan 8.360 nan 0.000 0.402 348 I N 2.109 122.610 120.570 -0.115 0.000 2.378 348 I HA 0.237 4.585 4.170 0.297 0.000 0.291 348 I C -0.093 175.972 176.117 -0.087 0.000 0.992 348 I CA -0.624 60.616 61.300 -0.100 0.000 1.154 348 I CB 1.282 39.210 38.000 -0.119 0.000 1.315 348 I HN 0.359 nan 8.210 nan 0.000 0.448 349 T N 7.685 122.199 114.554 -0.066 0.000 2.771 349 T HA 0.362 4.890 4.350 0.297 0.000 0.291 349 T C -2.161 172.511 174.700 -0.047 0.000 0.954 349 T CA -0.994 61.075 62.100 -0.052 0.000 1.045 349 T CB 0.912 69.756 68.868 -0.039 0.000 0.917 349 T HN 0.326 nan 8.240 nan 0.000 0.484 350 P HA 0.168 nan 4.420 nan 0.000 0.268 350 P C -0.273 177.014 177.300 -0.023 0.000 1.208 350 P CA -0.156 62.925 63.100 -0.032 0.000 0.777 350 P CB 0.449 32.132 31.700 -0.028 0.000 0.875 351 S N 0.656 116.347 115.700 -0.015 0.000 2.603 351 S HA 0.096 4.744 4.470 0.297 0.000 0.268 351 S C 0.113 174.709 174.600 -0.006 0.000 1.317 351 S CA -0.422 57.772 58.200 -0.010 0.000 1.012 351 S CB 0.229 63.428 63.200 -0.002 0.000 0.926 351 S HN 0.436 nan 8.310 nan 0.000 0.539 352 C N 3.302 122.599 119.300 -0.005 0.000 2.700 352 C HA 0.403 5.041 4.460 0.297 0.000 0.529 352 C C 0.882 175.873 174.990 0.001 0.000 1.093 352 C CA -0.424 58.592 59.018 -0.003 0.000 1.320 352 C CB -2.066 25.672 27.740 -0.004 0.000 1.478 352 C HN 0.603 nan 8.230 nan 0.000 0.598 353 R N 2.161 122.664 120.500 0.004 0.000 2.740 353 R HA 0.537 5.055 4.340 0.297 0.000 0.282 353 R C -2.500 173.805 176.300 0.008 0.000 0.969 353 R CA -1.145 54.960 56.100 0.008 0.000 0.918 353 R CB 1.637 31.946 30.300 0.015 0.000 1.175 353 R HN 0.319 nan 8.270 nan 0.000 0.464 354 P HA 0.013 nan 4.420 nan 0.000 0.275 354 P C -1.010 176.293 177.300 0.005 0.000 1.227 354 P CA -0.241 62.862 63.100 0.005 0.000 0.781 354 P CB 0.746 32.449 31.700 0.005 0.000 0.906 355 D N 2.621 123.020 120.400 -0.001 0.000 2.383 355 D HA 0.017 4.835 4.640 0.297 0.000 0.252 355 D C 0.519 176.815 176.300 -0.008 0.000 1.166 355 D CA -0.083 53.912 54.000 -0.009 0.000 0.879 355 D CB 0.675 41.465 40.800 -0.017 0.000 1.164 355 D HN 0.179 nan 8.370 nan 0.000 0.462 356 R N 3.220 123.715 120.500 -0.009 0.000 2.515 356 R HA 0.160 4.678 4.340 0.297 0.000 0.294 356 R C -0.350 175.944 176.300 -0.010 0.000 1.021 356 R CA -0.369 55.729 56.100 -0.004 0.000 1.081 356 R CB -0.089 30.214 30.300 0.005 0.000 1.263 356 R HN 0.309 nan 8.270 nan 0.000 0.557 357 N N 2.550 121.236 118.700 -0.025 0.000 2.527 357 N HA 0.027 4.945 4.740 0.297 0.000 0.236 357 N C -0.394 175.105 175.510 -0.018 0.000 0.999 357 N CA -0.127 52.903 53.050 -0.033 0.000 0.935 357 N CB 1.444 39.891 38.487 -0.067 0.000 1.132 357 N HN 0.308 nan 8.380 nan 0.000 0.511 358 E N 3.261 123.460 120.200 -0.001 0.000 2.351 358 E HA 0.114 4.642 4.350 0.297 0.000 0.266 358 E C -1.529 175.083 176.600 0.020 0.000 1.031 358 E CA -1.171 55.240 56.400 0.018 0.000 0.911 358 E CB 0.902 30.625 29.700 0.038 0.000 0.986 358 E HN 0.291 nan 8.360 nan 0.000 0.446 359 P HA -0.266 nan 4.420 nan 0.000 0.219 359 P C 0.813 178.140 177.300 0.045 0.000 1.144 359 P CA 1.590 64.700 63.100 0.017 0.000 0.806 359 P CB 0.087 31.798 31.700 0.019 0.000 0.771 360 H N -0.105 118.952 119.070 -0.022 0.000 2.395 360 H HA 0.040 4.774 4.556 0.297 0.000 0.299 360 H C 2.291 177.608 175.328 -0.018 0.000 1.070 360 H CA 1.183 57.219 56.048 -0.019 0.000 1.356 360 H CB -0.208 29.546 29.762 -0.013 0.000 1.401 360 H HN -0.218 nan 8.280 nan 0.000 0.524 361 R N 0.367 120.836 120.500 -0.051 0.000 2.092 361 R HA -0.063 4.455 4.340 0.297 0.000 0.231 361 R C 1.923 178.154 176.300 -0.114 0.000 1.119 361 R CA 0.784 56.827 56.100 -0.094 0.000 0.970 361 R CB -0.329 29.956 30.300 -0.025 0.000 0.864 361 R HN 0.377 nan 8.270 nan 0.000 0.440 362 I N 0.938 121.451 120.570 -0.095 0.000 2.361 362 I HA -0.226 4.122 4.170 0.297 0.000 0.251 362 I C 2.260 178.308 176.117 -0.115 0.000 1.133 362 I CA 1.148 62.385 61.300 -0.105 0.000 1.413 362 I CB -0.922 37.020 38.000 -0.097 0.000 1.073 362 I HN 0.133 nan 8.210 nan 0.000 0.424 363 Q N 1.097 120.818 119.800 -0.132 0.000 2.049 363 Q HA -0.162 4.356 4.340 0.297 0.000 0.198 363 Q C 2.230 178.143 176.000 -0.143 0.000 0.971 363 Q CA 1.576 57.301 55.803 -0.130 0.000 0.833 363 Q CB -0.185 28.478 28.738 -0.124 0.000 0.896 363 Q HN 0.483 nan 8.270 nan 0.000 0.434 364 Q N -0.397 119.271 119.800 -0.220 0.000 2.112 364 Q HA -0.184 4.334 4.340 0.297 0.000 0.206 364 Q C 1.868 177.847 176.000 -0.035 0.000 0.987 364 Q CA 1.342 57.055 55.803 -0.150 0.000 0.858 364 Q CB -0.200 28.431 28.738 -0.179 0.000 0.905 364 Q HN 0.389 nan 8.270 nan 0.000 0.420 365 I N 0.663 121.198 120.570 -0.058 0.000 2.179 365 I HA -0.241 4.107 4.170 0.297 0.000 0.242 365 I C 2.295 178.382 176.117 -0.049 0.000 1.088 365 I CA 1.370 62.641 61.300 -0.050 0.000 1.357 365 I CB -0.979 36.958 38.000 -0.106 0.000 1.051 365 I HN 0.275 nan 8.210 nan 0.000 0.409 366 L N 0.497 121.679 121.223 -0.070 0.000 2.131 366 L HA -0.217 4.301 4.340 0.297 0.000 0.210 366 L C 2.292 179.146 176.870 -0.027 0.000 1.092 366 L CA 1.057 55.857 54.840 -0.066 0.000 0.759 366 L CB -0.623 41.387 42.059 -0.081 0.000 0.903 366 L HN 0.318 nan 8.230 nan 0.000 0.435 367 N N -0.491 118.204 118.700 -0.008 0.000 2.109 367 N HA -0.221 4.697 4.740 0.297 0.000 0.188 367 N C 1.789 177.353 175.510 0.091 0.000 1.034 367 N CA 1.259 54.318 53.050 0.015 0.000 0.846 367 N CB -0.529 37.954 38.487 -0.006 0.000 1.010 367 N HN 0.376 nan 8.380 nan 0.000 0.425 368 Y N 1.283 121.551 120.300 -0.054 0.000 2.193 368 Y HA -0.198 4.531 4.550 0.297 0.000 0.285 368 Y C 1.997 177.888 175.900 -0.014 0.000 1.166 368 Y CA 0.688 58.770 58.100 -0.030 0.000 1.181 368 Y CB 0.126 38.560 38.460 -0.043 0.000 0.976 368 Y HN -0.040 nan 8.280 nan 0.000 0.520 369 I N 0.437 121.038 120.570 0.053 0.000 2.286 369 I HA -0.257 4.091 4.170 0.297 0.000 0.245 369 I C 2.383 178.506 176.117 0.011 0.000 1.104 369 I CA 1.223 62.503 61.300 -0.034 0.000 1.397 369 I CB -1.116 36.837 38.000 -0.078 0.000 1.072 369 I HN 0.201 nan 8.210 nan 0.000 0.417 370 K N 1.163 121.569 120.400 0.010 0.000 2.044 370 K HA -0.159 4.339 4.320 0.297 0.000 0.210 370 K C 1.952 178.542 176.600 -0.018 0.000 1.049 370 K CA 1.751 58.032 56.287 -0.010 0.000 0.927 370 K CB -0.724 31.767 32.500 -0.015 0.000 0.713 370 K HN 0.410 nan 8.250 nan 0.000 0.443 371 G N -0.030 108.784 108.800 0.024 0.000 2.744 371 G HA2 -0.149 3.989 3.960 0.297 0.000 0.211 371 G HA3 -0.149 3.989 3.960 0.297 0.000 0.211 371 G C 1.211 176.124 174.900 0.021 0.000 1.143 371 G CA 0.242 45.338 45.100 -0.007 0.000 0.788 371 G HN 0.426 nan 8.290 nan 0.000 0.534 372 N N -0.663 118.105 118.700 0.113 0.000 2.395 372 N HA 0.055 4.973 4.740 0.297 0.000 0.175 372 N C 1.527 177.055 175.510 0.030 0.000 1.029 372 N CA -0.078 53.098 53.050 0.211 0.000 0.897 372 N CB 0.123 38.778 38.487 0.281 0.000 0.991 372 N HN 0.116 nan 8.380 nan 0.000 0.441 373 L N 1.411 122.609 121.223 -0.042 0.000 2.446 373 L HA 0.010 4.528 4.340 0.297 0.000 0.219 373 L C 1.903 178.677 176.870 -0.160 0.000 1.116 373 L CA 1.005 55.789 54.840 -0.094 0.000 0.844 373 L CB -0.113 41.907 42.059 -0.065 0.000 0.970 373 L HN 0.092 nan 8.230 nan 0.000 0.457 374 K N -1.515 118.742 120.400 -0.238 0.000 2.097 374 K HA -0.150 4.348 4.320 0.297 0.000 0.206 374 K C 1.559 177.963 176.600 -0.326 0.000 1.049 374 K CA 1.311 57.425 56.287 -0.289 0.000 0.933 374 K CB -0.600 31.681 32.500 -0.365 0.000 0.717 374 K HN 0.325 nan 8.250 nan 0.000 0.442 375 H N 0.736 119.632 119.070 -0.290 0.000 2.568 375 H HA 0.031 4.765 4.556 0.297 0.000 0.281 375 H C -0.043 175.186 175.328 -0.166 0.000 1.028 375 H CA 0.444 56.302 56.048 -0.318 0.000 1.199 375 H CB -0.238 29.070 29.762 -0.757 0.000 1.352 375 H HN -0.028 nan 8.280 nan 0.000 0.605 376 V N 3.478 123.345 119.914 -0.079 0.000 2.389 376 V HA 0.023 4.321 4.120 0.297 0.000 0.264 376 V C 0.964 177.073 176.094 0.026 0.000 1.049 376 V CA -0.338 61.932 62.300 -0.050 0.000 0.932 376 V CB 0.454 32.183 31.823 -0.157 0.000 1.011 376 V HN 0.311 nan 8.190 nan 0.000 0.475 377 V N 0.000 119.980 119.914 0.110 0.000 2.409 377 V HA 0.000 4.298 4.120 0.297 0.000 0.244 377 V CA 0.000 62.346 62.300 0.077 0.000 1.235 377 V CB 0.000 31.871 31.823 0.080 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556