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 1n9e_1_C DATA FIRST_RESID 41 DATA SEQUENCE ASAEcVSNEN VEIEAPKTNI WTSLAKEEVQ EVLDLLHSTY NITEVTKADF DATA SEQUENCE FSNYVLWIET LKPNKTEALT YLDEDGDLPP RNARTVVYFG EGEEGYFEEL DATA SEQUENCE KVGPLPVSDE TTIEPLSFYN TNGKSKLPFE VGHLDRIKSA AKSSFLNKNL DATA SEQUENCE NTTIMRDVLE GLIGVPYEDM GcHSAAPQLH DPATGATVDY GTcNINTEND DATA SEQUENCE AENLVPTGFF FKFDMTGRDV SQWKMLEYIY NNKVYTSAEE LYEAMQKDDF DATA SEQUENCE VTLPKIDVDN LDWTVIQRND SAPIRHLDDR KSPRLVEPEG RRWAYDGEEE DATA SEQUENCE YFSWMDWGFY TSWSRDTGIS FYDITFKGER IVYELSLQEL IAEYGSDDPF DATA SEQUENCE NQHTFYSDIS YGVGNRFSLV PGYDcPATAG YFTTDTFEYD EFYNRTLSYc DATA SEQUENCE VFENQEDYSL LRHTGASYSA ITQNPTLNVR FISTIGNXDY NFLYKFFLDG DATA SEQUENCE TLEVSVRAAG YIQAGYWNPE TSAPYGLKIH DVLSGSFHDH VLNYKVDLDV DATA SEQUENCE GGTKNRASKY VMKDVDVEYP WAPGTVYNTK QIAREVLEKE DFNGINWPEN DATA SEQUENCE GQGILLIESA EETNSFGNPR AYNIMPGGGG VHRIVKNSRS GPETQNWARS DATA SEQUENCE NLFLTKHKDE ELRSSTALNT NALYDPPVNF NAFLDDESLD GEDIVAWVNL DATA SEQUENCE GLHHLPNSND LPNTIFSTAH ASFMLTPFNY FDSENSRDTT QQVFYTYDDE DATA SEQUENCE TEESNWEFYG NDWSScGLEV PEPNFEDYTY GRGTR 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 41 A HA 0.000 nan 4.320 nan 0.000 0.244 41 A C 0.000 177.582 177.584 -0.004 0.000 1.274 41 A CA 0.000 52.035 52.037 -0.002 0.000 0.836 41 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 42 S N 1.224 116.921 115.700 -0.005 0.000 2.542 42 S HA 0.395 4.865 4.470 -0.001 0.000 0.287 42 S C 0.710 175.305 174.600 -0.008 0.000 1.315 42 S CA 0.243 58.439 58.200 -0.007 0.000 1.037 42 S CB 0.376 63.570 63.200 -0.009 0.000 0.822 42 S HN 1.586 nan 8.310 nan 0.000 0.513 43 A N 1.505 124.320 122.820 -0.009 0.000 2.386 43 A HA 0.379 4.698 4.320 -0.001 0.000 0.246 43 A C 0.431 178.006 177.584 -0.015 0.000 1.089 43 A CA -0.331 51.700 52.037 -0.011 0.000 0.790 43 A CB 0.013 19.008 19.000 -0.010 0.000 1.042 43 A HN 0.787 nan 8.150 nan 0.000 0.497 44 E N -0.363 119.827 120.200 -0.015 0.000 2.383 44 E HA 0.284 4.633 4.350 -0.001 0.000 0.264 44 E C -0.295 176.290 176.600 -0.026 0.000 1.050 44 E CA -0.136 56.252 56.400 -0.019 0.000 0.896 44 E CB 0.328 30.018 29.700 -0.017 0.000 0.982 44 E HN 0.641 nan 8.360 nan 0.000 0.424 45 c N 2.519 121.100 118.600 -0.032 0.000 2.703 45 c HA 0.115 4.685 4.570 -0.001 0.000 0.411 45 c C 0.042 174.110 174.090 -0.038 0.000 1.290 45 c CA -0.990 55.313 56.329 -0.043 0.000 2.054 45 c CB -0.093 42.385 42.510 -0.054 0.000 2.732 45 c HN 0.433 nan 8.230 nan 0.000 0.650 46 V N 3.954 123.843 119.914 -0.041 0.000 2.415 46 V HA 0.202 4.322 4.120 -0.001 0.000 0.267 46 V C 0.756 176.830 176.094 -0.033 0.000 1.042 46 V CA 0.279 62.559 62.300 -0.033 0.000 1.000 46 V CB 0.239 32.044 31.823 -0.031 0.000 1.015 46 V HN 1.035 nan 8.190 nan 0.000 0.478 47 S N 5.828 121.511 115.700 -0.028 0.000 2.565 47 S HA 0.432 4.902 4.470 -0.001 0.000 0.274 47 S C -0.295 174.289 174.600 -0.027 0.000 1.309 47 S CA -0.733 57.450 58.200 -0.028 0.000 1.043 47 S CB 0.826 64.011 63.200 -0.025 0.000 0.939 47 S HN 0.736 nan 8.310 nan 0.000 0.504 48 N N 1.679 120.360 118.700 -0.030 0.000 2.229 48 N HA 0.318 5.057 4.740 -0.001 0.000 0.298 48 N C -1.144 174.343 175.510 -0.039 0.000 1.114 48 N CA -0.683 52.348 53.050 -0.032 0.000 0.776 48 N CB 1.811 40.279 38.487 -0.031 0.000 1.501 48 N HN 0.668 nan 8.380 nan 0.000 0.474 49 E N 0.832 121.008 120.200 -0.040 0.000 2.374 49 E HA 0.195 4.545 4.350 -0.001 0.000 0.260 49 E C -0.173 176.386 176.600 -0.068 0.000 1.101 49 E CA -0.323 56.048 56.400 -0.047 0.000 0.907 49 E CB 0.657 30.332 29.700 -0.041 0.000 1.014 49 E HN 0.330 nan 8.360 nan 0.000 0.427 50 N N 0.228 118.880 118.700 -0.080 0.000 2.412 50 N HA 0.020 4.759 4.740 -0.001 0.000 0.254 50 N C -0.542 174.904 175.510 -0.107 0.000 1.232 50 N CA 0.080 53.060 53.050 -0.118 0.000 0.880 50 N CB 0.484 38.914 38.487 -0.095 0.000 1.076 50 N HN 0.083 nan 8.380 nan 0.000 0.458 51 V N 2.125 121.963 119.914 -0.126 0.000 2.394 51 V HA 0.238 4.357 4.120 -0.001 0.000 0.282 51 V C 0.451 176.447 176.094 -0.164 0.000 1.031 51 V CA -0.544 61.690 62.300 -0.109 0.000 0.881 51 V CB 1.100 32.883 31.823 -0.066 0.000 0.982 51 V HN 0.543 nan 8.190 nan 0.000 0.451 52 E N 4.456 124.536 120.200 -0.201 0.000 2.207 52 E HA 0.743 5.093 4.350 -0.001 0.000 0.270 52 E C -0.778 175.716 176.600 -0.177 0.000 0.927 52 E CA -0.616 55.592 56.400 -0.319 0.000 0.799 52 E CB 2.611 32.081 29.700 -0.383 0.000 1.172 52 E HN 0.703 nan 8.360 nan 0.000 0.404 53 I N -2.306 118.170 120.570 -0.157 0.000 3.239 53 I HA 0.520 4.690 4.170 -0.001 0.000 0.314 53 I C -0.674 175.410 176.117 -0.054 0.000 1.126 53 I CA -1.164 60.097 61.300 -0.065 0.000 0.973 53 I CB 1.945 39.949 38.000 0.006 0.000 1.252 53 I HN 0.145 nan 8.210 nan 0.000 0.463 54 E N 2.149 122.326 120.200 -0.039 0.000 2.156 54 E HA 0.514 4.863 4.350 -0.001 0.000 0.279 54 E C -0.422 176.118 176.600 -0.101 0.000 0.965 54 E CA -0.636 55.735 56.400 -0.048 0.000 0.789 54 E CB 1.935 31.610 29.700 -0.042 0.000 1.098 54 E HN 0.778 nan 8.360 nan 0.000 0.397 55 A N 4.662 127.392 122.820 -0.149 0.000 2.483 55 A HA 0.214 4.534 4.320 -0.001 0.000 0.238 55 A C -1.283 176.113 177.584 -0.313 0.000 1.070 55 A CA -0.796 50.958 52.037 -0.471 0.000 0.770 55 A CB -0.073 18.730 19.000 -0.328 0.000 1.008 55 A HN 0.353 nan 8.150 nan 0.000 0.497 56 P HA -0.060 nan 4.420 nan 0.000 0.218 56 P C 0.130 177.386 177.300 -0.073 0.000 1.148 56 P CA 1.434 64.431 63.100 -0.171 0.000 0.822 56 P CB 0.182 31.797 31.700 -0.141 0.000 0.784 57 K N -2.176 118.237 120.400 0.021 0.000 2.469 57 K HA 0.363 4.683 4.320 -0.001 0.000 0.268 57 K C -0.240 176.489 176.600 0.214 0.000 1.027 57 K CA -0.475 55.856 56.287 0.073 0.000 0.893 57 K CB 1.009 33.483 32.500 -0.045 0.000 1.460 57 K HN -0.125 nan 8.250 nan 0.000 0.449 58 T N -1.066 113.637 114.554 0.248 0.000 2.904 58 T HA 0.180 4.530 4.350 -0.001 0.000 0.290 58 T C 0.422 175.144 174.700 0.036 0.000 1.018 58 T CA -0.589 61.607 62.100 0.161 0.000 1.075 58 T CB 0.575 69.487 68.868 0.073 0.000 0.986 58 T HN 0.353 nan 8.240 nan 0.000 0.523 59 N N 2.119 120.874 118.700 0.090 0.000 2.421 59 N HA 0.042 4.782 4.740 -0.001 0.000 0.260 59 N C 1.194 176.574 175.510 -0.217 0.000 1.173 59 N CA -0.719 52.342 53.050 0.018 0.000 0.960 59 N CB -0.284 38.416 38.487 0.356 0.000 1.273 59 N HN 0.777 nan 8.380 nan 0.000 0.497 60 I N -0.552 119.589 120.570 -0.716 0.000 3.444 60 I HA 0.114 4.283 4.170 -0.001 0.000 0.287 60 I C 0.457 176.091 176.117 -0.805 0.000 1.302 60 I CA 0.178 60.973 61.300 -0.841 0.000 1.368 60 I CB -0.039 37.323 38.000 -1.064 0.000 1.048 60 I HN 0.288 nan 8.210 nan 0.000 0.487 61 W N 1.437 122.595 121.300 -0.236 0.000 3.127 61 W HA 0.309 4.968 4.660 -0.001 0.000 0.344 61 W C 1.093 177.551 176.519 -0.100 0.000 1.151 61 W CA -0.527 56.647 57.345 -0.284 0.000 1.765 61 W CB -0.337 28.739 29.460 -0.640 0.000 1.085 61 W HN -0.023 nan 8.180 nan 0.000 0.596 62 T N 2.041 116.674 114.554 0.132 0.000 2.860 62 T HA 0.156 4.505 4.350 -0.001 0.000 0.299 62 T C 0.950 175.734 174.700 0.141 0.000 1.045 62 T CA 0.140 62.344 62.100 0.174 0.000 1.071 62 T CB 0.940 69.914 68.868 0.176 0.000 0.985 62 T HN 0.052 nan 8.240 nan 0.000 0.537 63 S N 3.831 119.637 115.700 0.177 0.000 2.576 63 S HA 0.263 4.733 4.470 -0.001 0.000 0.272 63 S C 0.313 175.016 174.600 0.171 0.000 1.352 63 S CA -0.822 57.482 58.200 0.173 0.000 1.021 63 S CB -0.079 63.245 63.200 0.207 0.000 0.887 63 S HN 0.633 nan 8.310 nan 0.000 0.542 64 L N 1.986 123.314 121.223 0.176 0.000 2.490 64 L HA 0.315 4.654 4.340 -0.001 0.000 0.274 64 L C 1.090 178.107 176.870 0.245 0.000 1.201 64 L CA -0.361 54.583 54.840 0.173 0.000 0.869 64 L CB -0.122 42.031 42.059 0.157 0.000 1.123 64 L HN 0.951 nan 8.230 nan 0.000 0.484 65 A N 3.501 126.414 122.820 0.156 0.000 2.366 65 A HA 0.111 4.430 4.320 -0.001 0.000 0.249 65 A C 1.304 178.899 177.584 0.017 0.000 1.084 65 A CA -0.259 51.853 52.037 0.124 0.000 0.794 65 A CB 0.333 19.363 19.000 0.049 0.000 1.034 65 A HN 0.934 nan 8.150 nan 0.000 0.491 66 K N -0.029 120.199 120.400 -0.288 0.000 2.074 66 K HA -0.245 4.075 4.320 -0.001 0.000 0.209 66 K C 1.651 178.070 176.600 -0.303 0.000 1.048 66 K CA 2.283 58.119 56.287 -0.752 0.000 0.926 66 K CB -0.062 31.820 32.500 -1.031 0.000 0.713 66 K HN 0.803 nan 8.250 nan 0.000 0.444 67 E N 0.957 121.053 120.200 -0.173 0.000 2.150 67 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 67 E C 1.474 178.040 176.600 -0.057 0.000 0.985 67 E CA 1.564 57.907 56.400 -0.096 0.000 0.814 67 E CB 0.071 29.734 29.700 -0.063 0.000 0.752 67 E HN 0.403 nan 8.360 nan 0.000 0.466 68 E N -0.431 119.749 120.200 -0.034 0.000 2.072 68 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 68 E C 2.128 178.717 176.600 -0.018 0.000 0.985 68 E CA 1.255 57.650 56.400 -0.008 0.000 0.801 68 E CB 0.053 29.766 29.700 0.020 0.000 0.750 68 E HN 0.145 nan 8.360 nan 0.000 0.452 69 V N 1.254 121.155 119.914 -0.021 0.000 2.343 69 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 69 V C 2.432 178.455 176.094 -0.119 0.000 1.051 69 V CA 1.975 64.224 62.300 -0.085 0.000 1.036 69 V CB -0.458 31.357 31.823 -0.014 0.000 0.654 69 V HN 0.207 nan 8.190 nan 0.000 0.451 70 Q N 0.435 120.188 119.800 -0.079 0.000 2.084 70 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 70 Q C 2.095 178.082 176.000 -0.022 0.000 0.978 70 Q CA 2.058 57.834 55.803 -0.045 0.000 0.844 70 Q CB -0.301 28.410 28.738 -0.045 0.000 0.898 70 Q HN 0.713 nan 8.270 nan 0.000 0.426 71 E N -1.161 119.026 120.200 -0.022 0.000 2.110 71 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 71 E C 1.923 178.530 176.600 0.011 0.000 0.988 71 E CA 1.381 57.779 56.400 -0.003 0.000 0.804 71 E CB 0.051 29.748 29.700 -0.005 0.000 0.745 71 E HN 0.195 nan 8.360 nan 0.000 0.458 72 V N 1.043 120.956 119.914 -0.002 0.000 2.379 72 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 72 V C 2.191 178.308 176.094 0.039 0.000 1.044 72 V CA 1.047 63.356 62.300 0.016 0.000 1.036 72 V CB -0.264 31.557 31.823 -0.003 0.000 0.664 72 V HN 0.214 nan 8.190 nan 0.000 0.453 73 L N 0.490 121.720 121.223 0.012 0.000 2.046 73 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 73 L C 2.074 179.075 176.870 0.218 0.000 1.077 73 L CA 2.061 56.964 54.840 0.104 0.000 0.747 73 L CB -0.899 41.205 42.059 0.075 0.000 0.896 73 L HN 0.310 nan 8.230 nan 0.000 0.432 74 D N -0.817 119.660 120.400 0.129 0.000 2.117 74 D HA -0.190 4.450 4.640 -0.001 0.000 0.197 74 D C 2.153 178.533 176.300 0.134 0.000 0.987 74 D CA 1.334 55.408 54.000 0.122 0.000 0.829 74 D CB -0.239 40.591 40.800 0.050 0.000 0.961 74 D HN 0.292 nan 8.370 nan 0.000 0.460 75 L N 0.555 121.834 121.223 0.093 0.000 2.093 75 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 75 L C 2.104 179.024 176.870 0.083 0.000 1.085 75 L CA 1.272 56.153 54.840 0.068 0.000 0.755 75 L CB -0.503 41.584 42.059 0.047 0.000 0.904 75 L HN 0.008 nan 8.230 nan 0.000 0.435 76 L N -1.395 119.908 121.223 0.134 0.000 2.046 76 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 76 L C 2.616 179.578 176.870 0.153 0.000 1.077 76 L CA 1.124 56.075 54.840 0.185 0.000 0.747 76 L CB -0.896 41.272 42.059 0.182 0.000 0.896 76 L HN 0.397 nan 8.230 nan 0.000 0.432 77 H N -0.615 118.530 119.070 0.124 0.000 2.421 77 H HA -0.100 4.456 4.556 -0.001 0.000 0.298 77 H C 2.505 177.877 175.328 0.073 0.000 1.087 77 H CA 1.768 57.882 56.048 0.111 0.000 1.330 77 H CB 0.215 30.031 29.762 0.090 0.000 1.388 77 H HN 0.417 nan 8.280 nan 0.000 0.526 78 S N -0.761 115.028 115.700 0.149 0.000 2.501 78 S HA -0.025 4.444 4.470 -0.001 0.000 0.220 78 S C 1.928 176.519 174.600 -0.016 0.000 0.997 78 S CA 0.742 58.982 58.200 0.066 0.000 0.919 78 S CB 0.065 63.291 63.200 0.043 0.000 0.778 78 S HN 0.161 nan 8.310 nan 0.000 0.523 79 T N 0.498 114.992 114.554 -0.100 0.000 2.976 79 T HA 0.300 4.649 4.350 -0.001 0.000 0.257 79 T C -0.265 174.184 174.700 -0.419 0.000 1.051 79 T CA 0.605 62.498 62.100 -0.345 0.000 1.141 79 T CB -0.139 68.371 68.868 -0.596 0.000 0.881 79 T HN 0.518 nan 8.240 nan 0.000 0.461 80 Y N 0.437 120.792 120.300 0.092 0.000 2.602 80 Y HA 0.496 5.045 4.550 -0.001 0.000 0.342 80 Y C 0.116 176.062 175.900 0.078 0.000 1.029 80 Y CA -1.703 56.465 58.100 0.114 0.000 1.080 80 Y CB 0.791 39.373 38.460 0.204 0.000 1.284 80 Y HN -0.213 nan 8.280 nan 0.000 0.485 81 N N 2.192 121.053 118.700 0.267 0.000 2.508 81 N HA 0.116 4.856 4.740 -0.001 0.000 0.253 81 N C -1.390 174.193 175.510 0.122 0.000 1.145 81 N CA 0.125 53.275 53.050 0.167 0.000 0.973 81 N CB -0.226 38.347 38.487 0.142 0.000 1.305 81 N HN 0.443 nan 8.380 nan 0.000 0.506 82 I N 2.382 122.993 120.570 0.069 0.000 2.331 82 I HA 0.208 4.377 4.170 -0.001 0.000 0.292 82 I C 0.634 176.796 176.117 0.075 0.000 0.998 82 I CA -0.355 60.919 61.300 -0.044 0.000 1.267 82 I CB 0.988 38.731 38.000 -0.428 0.000 1.386 82 I HN 0.262 nan 8.210 nan 0.000 0.476 83 T N 5.631 120.253 114.554 0.113 0.000 2.875 83 T HA 0.248 4.598 4.350 -0.001 0.000 0.284 83 T C 0.203 175.010 174.700 0.177 0.000 0.995 83 T CA -0.656 61.537 62.100 0.155 0.000 1.060 83 T CB 1.160 70.116 68.868 0.146 0.000 0.967 83 T HN 0.317 nan 8.240 nan 0.000 0.476 84 E N 2.055 122.354 120.200 0.165 0.000 2.384 84 E HA 0.054 4.403 4.350 -0.001 0.000 0.266 84 E C 1.347 177.983 176.600 0.059 0.000 1.012 84 E CA -0.122 56.366 56.400 0.147 0.000 0.901 84 E CB 0.727 30.498 29.700 0.118 0.000 0.967 84 E HN 0.316 nan 8.360 nan 0.000 0.435 85 V N 2.889 122.829 119.914 0.044 0.000 2.324 85 V HA -0.317 3.802 4.120 -0.001 0.000 0.250 85 V C 2.251 178.249 176.094 -0.159 0.000 1.060 85 V CA 2.603 64.831 62.300 -0.120 0.000 1.042 85 V CB -1.102 30.694 31.823 -0.046 0.000 0.650 85 V HN 0.795 nan 8.190 nan 0.000 0.450 86 T N -2.061 112.448 114.554 -0.075 0.000 3.051 86 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 86 T C 1.355 176.013 174.700 -0.069 0.000 1.127 86 T CA 1.077 63.132 62.100 -0.076 0.000 1.107 86 T CB -0.224 68.622 68.868 -0.036 0.000 0.898 86 T HN 0.547 nan 8.240 nan 0.000 0.517 87 K N 0.578 120.947 120.400 -0.053 0.000 2.374 87 K HA 0.543 4.863 4.320 -0.001 0.000 0.202 87 K C 0.611 177.184 176.600 -0.044 0.000 1.040 87 K CA -0.217 56.049 56.287 -0.034 0.000 1.085 87 K CB 0.870 33.373 32.500 0.005 0.000 0.873 87 K HN 0.378 nan 8.250 nan 0.000 0.539 88 A N 2.376 125.133 122.820 -0.105 0.000 2.286 88 A HA 0.351 4.671 4.320 -0.001 0.000 0.286 88 A C -0.320 177.182 177.584 -0.137 0.000 1.097 88 A CA -0.366 51.609 52.037 -0.103 0.000 0.821 88 A CB 0.479 19.320 19.000 -0.264 0.000 1.076 88 A HN 0.267 nan 8.150 nan 0.000 0.490 89 D N -1.223 119.159 120.400 -0.029 0.000 2.837 89 D HA 0.289 4.929 4.640 -0.001 0.000 0.294 89 D C 0.047 176.377 176.300 0.051 0.000 1.158 89 D CA -0.557 53.379 54.000 -0.106 0.000 1.073 89 D CB -0.182 40.575 40.800 -0.072 0.000 1.419 89 D HN 0.280 nan 8.370 nan 0.000 0.584 90 F N -1.237 118.687 119.950 -0.043 0.000 2.641 90 F HA 0.106 4.632 4.527 -0.001 0.000 0.298 90 F C 1.026 176.604 175.800 -0.370 0.000 1.146 90 F CA 0.222 58.067 58.000 -0.258 0.000 1.464 90 F CB -0.082 38.580 39.000 -0.564 0.000 1.101 90 F HN 0.070 nan 8.300 nan 0.000 0.585 91 F N -1.028 119.086 119.950 0.273 0.000 2.678 91 F HA 0.153 4.679 4.527 -0.001 0.000 0.305 91 F C 1.041 176.933 175.800 0.154 0.000 1.090 91 F CA -0.256 57.844 58.000 0.166 0.000 1.272 91 F CB -0.172 38.878 39.000 0.082 0.000 1.060 91 F HN -0.318 nan 8.300 nan 0.000 0.576 92 S N 0.113 116.017 115.700 0.340 0.000 2.693 92 S HA 0.340 4.809 4.470 -0.001 0.000 0.276 92 S C -0.107 174.629 174.600 0.228 0.000 1.192 92 S CA -0.763 57.604 58.200 0.278 0.000 0.994 92 S CB 0.686 64.074 63.200 0.313 0.000 1.012 92 S HN 0.073 nan 8.310 nan 0.000 0.550 93 N N 1.175 119.936 118.700 0.102 0.000 2.362 93 N HA 0.570 5.310 4.740 -0.001 0.000 0.298 93 N C -1.240 174.255 175.510 -0.024 0.000 1.048 93 N CA -0.386 52.567 53.050 -0.162 0.000 0.858 93 N CB 1.431 39.764 38.487 -0.256 0.000 1.218 93 N HN 0.725 nan 8.380 nan 0.000 0.488 94 Y N -2.616 117.586 120.300 -0.164 0.000 2.609 94 Y HA 0.585 5.135 4.550 -0.001 0.000 0.336 94 Y C -1.062 174.766 175.900 -0.120 0.000 1.129 94 Y CA -1.309 56.740 58.100 -0.086 0.000 1.040 94 Y CB 0.520 38.999 38.460 0.032 0.000 1.310 94 Y HN 0.087 nan 8.280 nan 0.000 0.460 95 V N 3.320 123.308 119.914 0.123 0.000 2.509 95 V HA 0.187 4.306 4.120 -0.001 0.000 0.284 95 V C 0.176 176.344 176.094 0.122 0.000 1.047 95 V CA -0.186 62.158 62.300 0.073 0.000 0.952 95 V CB 1.086 33.008 31.823 0.164 0.000 0.988 95 V HN 0.881 nan 8.190 nan 0.000 0.469 96 L N 3.619 124.788 121.223 -0.091 0.000 2.356 96 L HA 0.359 4.698 4.340 -0.001 0.000 0.193 96 L C 0.040 176.652 176.870 -0.431 0.000 1.087 96 L CA 1.121 55.631 54.840 -0.550 0.000 0.817 96 L CB 0.122 41.548 42.059 -1.056 0.000 1.035 96 L HN 0.487 nan 8.230 nan 0.000 0.482 97 W N -0.410 120.941 121.300 0.086 0.000 3.032 97 W HA 0.660 5.319 4.660 -0.001 0.000 0.335 97 W C -1.072 175.582 176.519 0.225 0.000 1.154 97 W CA -1.113 56.334 57.345 0.170 0.000 1.204 97 W CB 1.448 30.918 29.460 0.017 0.000 1.416 97 W HN -0.303 nan 8.180 nan 0.000 0.521 98 I N 2.309 123.179 120.570 0.499 0.000 2.571 98 I HA 0.184 4.353 4.170 -0.001 0.000 0.286 98 I C -0.451 175.782 176.117 0.194 0.000 1.134 98 I CA -0.507 60.916 61.300 0.204 0.000 1.052 98 I CB 2.125 40.057 38.000 -0.113 0.000 1.237 98 I HN 0.447 nan 8.210 nan 0.000 0.435 99 E N 3.163 123.450 120.200 0.145 0.000 2.449 99 E HA 0.484 4.834 4.350 -0.001 0.000 0.278 99 E C -1.251 175.401 176.600 0.088 0.000 0.992 99 E CA -0.899 55.569 56.400 0.113 0.000 0.807 99 E CB 1.553 31.293 29.700 0.065 0.000 1.350 99 E HN 0.218 nan 8.360 nan 0.000 0.462 100 T N 1.436 116.038 114.554 0.080 0.000 2.902 100 T HA 0.137 4.487 4.350 -0.001 0.000 0.301 100 T C -0.237 174.501 174.700 0.063 0.000 1.012 100 T CA -0.202 61.939 62.100 0.068 0.000 1.151 100 T CB 0.103 69.010 68.868 0.065 0.000 0.946 100 T HN 0.352 nan 8.240 nan 0.000 0.542 101 L N 5.356 126.627 121.223 0.081 0.000 2.268 101 L HA 0.326 4.665 4.340 -0.001 0.000 0.289 101 L C 0.301 177.238 176.870 0.111 0.000 1.064 101 L CA -0.141 54.769 54.840 0.116 0.000 0.824 101 L CB -0.081 42.086 42.059 0.179 0.000 1.202 101 L HN 0.461 nan 8.230 nan 0.000 0.433 102 K N 5.498 125.969 120.400 0.118 0.000 2.380 102 K HA 0.222 4.541 4.320 -0.001 0.000 0.267 102 K C -2.147 174.530 176.600 0.128 0.000 0.990 102 K CA -1.365 54.989 56.287 0.111 0.000 0.946 102 K CB -0.047 32.565 32.500 0.187 0.000 0.937 102 K HN 0.456 nan 8.250 nan 0.000 0.491 103 P HA 0.029 nan 4.420 nan 0.000 0.270 103 P C -0.676 176.719 177.300 0.158 0.000 1.223 103 P CA -0.270 62.852 63.100 0.036 0.000 0.785 103 P CB 0.475 32.112 31.700 -0.105 0.000 0.923 104 N N 0.884 119.649 118.700 0.109 0.000 2.467 104 N HA 0.048 4.787 4.740 -0.001 0.000 0.262 104 N C 1.100 176.691 175.510 0.135 0.000 1.234 104 N CA -0.211 52.918 53.050 0.131 0.000 0.952 104 N CB 0.369 38.874 38.487 0.031 0.000 1.158 104 N HN 0.384 nan 8.380 nan 0.000 0.463 105 K N 0.201 120.671 120.400 0.117 0.000 2.057 105 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 105 K C 1.279 177.814 176.600 -0.109 0.000 1.050 105 K CA 1.311 57.541 56.287 -0.095 0.000 0.935 105 K CB 0.005 32.302 32.500 -0.337 0.000 0.715 105 K HN 0.464 nan 8.250 nan 0.000 0.439 106 T N 1.518 116.044 114.554 -0.047 0.000 2.777 106 T HA -0.164 4.186 4.350 -0.001 0.000 0.266 106 T C 1.577 176.278 174.700 0.002 0.000 1.040 106 T CA 1.730 63.809 62.100 -0.035 0.000 1.141 106 T CB -0.202 68.655 68.868 -0.018 0.000 0.868 106 T HN 0.554 nan 8.240 nan 0.000 0.444 107 E N 1.668 121.875 120.200 0.012 0.000 2.110 107 E HA -0.061 4.289 4.350 -0.001 0.000 0.193 107 E C 2.390 179.024 176.600 0.058 0.000 0.988 107 E CA 1.096 57.508 56.400 0.021 0.000 0.804 107 E CB -0.351 29.345 29.700 -0.007 0.000 0.745 107 E HN 0.466 nan 8.360 nan 0.000 0.458 108 A N 1.870 124.741 122.820 0.085 0.000 1.898 108 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 108 A C 2.327 180.051 177.584 0.233 0.000 1.181 108 A CA 1.105 53.245 52.037 0.172 0.000 0.620 108 A CB -0.604 18.612 19.000 0.361 0.000 0.819 108 A HN 0.276 nan 8.150 nan 0.000 0.442 109 L N -0.892 120.421 121.223 0.151 0.000 2.156 109 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 109 L C 2.695 179.624 176.870 0.099 0.000 1.095 109 L CA 1.571 56.491 54.840 0.132 0.000 0.770 109 L CB -0.840 41.243 42.059 0.040 0.000 0.914 109 L HN 0.335 nan 8.230 nan 0.000 0.439 110 T N -1.038 113.566 114.554 0.083 0.000 2.746 110 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 110 T C 1.696 176.451 174.700 0.093 0.000 1.039 110 T CA 1.442 63.583 62.100 0.069 0.000 1.142 110 T CB -0.326 68.575 68.868 0.055 0.000 0.866 110 T HN 0.322 nan 8.240 nan 0.000 0.444 111 Y N 1.616 121.916 120.300 -0.000 0.000 2.181 111 Y HA -0.016 4.534 4.550 -0.001 0.000 0.288 111 Y C 1.897 177.803 175.900 0.011 0.000 1.146 111 Y CA 1.092 59.182 58.100 -0.017 0.000 1.164 111 Y CB -0.473 37.947 38.460 -0.066 0.000 0.982 111 Y HN 0.137 nan 8.280 nan 0.000 0.515 112 L N -0.508 120.662 121.223 -0.089 0.000 2.131 112 L HA -0.096 4.244 4.340 -0.001 0.000 0.206 112 L C 1.354 178.183 176.870 -0.067 0.000 1.087 112 L CA 1.349 56.114 54.840 -0.125 0.000 0.767 112 L CB -0.248 41.900 42.059 0.149 0.000 0.917 112 L HN 0.135 nan 8.230 nan 0.000 0.441 113 D N -1.173 119.223 120.400 -0.006 0.000 2.454 113 D HA 0.014 4.653 4.640 -0.001 0.000 0.219 113 D C 0.916 177.214 176.300 -0.004 0.000 1.081 113 D CA 0.456 54.465 54.000 0.015 0.000 0.867 113 D CB 0.555 41.385 40.800 0.051 0.000 1.054 113 D HN 0.264 nan 8.370 nan 0.000 0.500 114 E N 0.455 120.648 120.200 -0.011 0.000 2.812 114 E HA 0.091 4.441 4.350 -0.001 0.000 0.211 114 E C -0.822 175.770 176.600 -0.013 0.000 0.986 114 E CA -0.095 56.302 56.400 -0.005 0.000 1.119 114 E CB 0.844 30.551 29.700 0.011 0.000 1.046 114 E HN -0.072 nan 8.360 nan 0.000 0.474 115 D N 0.773 121.145 120.400 -0.047 0.000 2.751 115 D HA -0.157 4.482 4.640 -0.001 0.000 0.233 115 D C 0.453 176.758 176.300 0.009 0.000 1.149 115 D CA 0.995 54.965 54.000 -0.049 0.000 0.682 115 D CB -0.514 40.266 40.800 -0.033 0.000 1.068 115 D HN 0.456 nan 8.370 nan 0.000 0.429 116 G N -0.271 108.555 108.800 0.044 0.000 2.653 116 G HA2 0.305 4.265 3.960 -0.001 0.000 0.265 116 G HA3 0.305 4.265 3.960 -0.001 0.000 0.265 116 G C 0.065 175.072 174.900 0.178 0.000 1.237 116 G CA -0.542 44.614 45.100 0.094 0.000 0.946 116 G HN 0.158 nan 8.290 nan 0.000 0.522 117 D N -0.641 119.828 120.400 0.115 0.000 2.362 117 D HA 0.100 4.739 4.640 -0.001 0.000 0.242 117 D C 0.747 177.061 176.300 0.024 0.000 1.132 117 D CA 0.027 54.075 54.000 0.079 0.000 0.907 117 D CB 1.158 41.965 40.800 0.013 0.000 1.195 117 D HN 0.064 nan 8.370 nan 0.000 0.429 118 L N 2.633 123.773 121.223 -0.138 0.000 2.540 118 L HA 0.058 4.397 4.340 -0.001 0.000 0.276 118 L C -1.784 174.898 176.870 -0.313 0.000 1.212 118 L CA -1.172 53.377 54.840 -0.485 0.000 0.893 118 L CB 0.018 41.842 42.059 -0.392 0.000 1.138 118 L HN 0.142 nan 8.230 nan 0.000 0.491 119 P HA 0.137 nan 4.420 nan 0.000 0.270 119 P C -2.421 174.767 177.300 -0.186 0.000 1.223 119 P CA -0.997 61.973 63.100 -0.217 0.000 0.785 119 P CB -0.196 31.366 31.700 -0.230 0.000 0.923 120 P HA 0.098 nan 4.420 nan 0.000 0.265 120 P C -0.356 176.892 177.300 -0.085 0.000 1.187 120 P CA 0.195 63.245 63.100 -0.083 0.000 0.766 120 P CB 0.313 31.985 31.700 -0.047 0.000 0.820 121 R N 3.354 123.812 120.500 -0.070 0.000 2.215 121 R HA 0.380 4.720 4.340 -0.001 0.000 0.336 121 R C -0.678 175.613 176.300 -0.014 0.000 0.996 121 R CA -0.066 56.000 56.100 -0.057 0.000 0.847 121 R CB -0.245 30.018 30.300 -0.061 0.000 1.127 121 R HN 0.391 nan 8.270 nan 0.000 0.465 122 N N 1.859 120.565 118.700 0.009 0.000 2.262 122 N HA 0.580 5.320 4.740 -0.001 0.000 0.295 122 N C -1.515 174.033 175.510 0.064 0.000 1.161 122 N CA -0.645 52.432 53.050 0.046 0.000 0.767 122 N CB 2.262 40.793 38.487 0.074 0.000 1.499 122 N HN 0.609 nan 8.380 nan 0.000 0.476 123 A N 0.788 123.655 122.820 0.078 0.000 2.337 123 A HA 0.586 4.905 4.320 -0.001 0.000 0.329 123 A C -0.055 177.603 177.584 0.123 0.000 1.146 123 A CA -0.692 51.400 52.037 0.091 0.000 0.800 123 A CB 1.027 20.072 19.000 0.076 0.000 1.220 123 A HN 0.658 nan 8.150 nan 0.000 0.472 124 R N 1.228 121.807 120.500 0.131 0.000 2.312 124 R HA 0.556 4.895 4.340 -0.001 0.000 0.311 124 R C -0.754 175.648 176.300 0.169 0.000 1.004 124 R CA 0.090 56.288 56.100 0.162 0.000 0.902 124 R CB 1.046 31.432 30.300 0.143 0.000 1.073 124 R HN 0.677 nan 8.270 nan 0.000 0.457 125 T N 2.657 117.324 114.554 0.188 0.000 2.907 125 T HA 0.521 4.870 4.350 -0.001 0.000 0.292 125 T C -1.413 173.418 174.700 0.219 0.000 1.043 125 T CA -0.556 61.665 62.100 0.201 0.000 1.003 125 T CB 1.441 70.407 68.868 0.162 0.000 1.084 125 T HN 0.319 nan 8.240 nan 0.000 0.483 126 V N 4.172 124.222 119.914 0.226 0.000 2.483 126 V HA 0.649 4.768 4.120 -0.001 0.000 0.297 126 V C -0.633 175.480 176.094 0.031 0.000 1.027 126 V CA -0.694 61.714 62.300 0.180 0.000 0.855 126 V CB 1.668 33.653 31.823 0.269 0.000 0.995 126 V HN 0.761 nan 8.190 nan 0.000 0.424 127 V N 4.555 124.445 119.914 -0.040 0.000 2.588 127 V HA 0.401 4.521 4.120 -0.001 0.000 0.304 127 V C -0.975 174.813 176.094 -0.511 0.000 1.042 127 V CA -0.918 61.172 62.300 -0.351 0.000 0.877 127 V CB 2.024 33.482 31.823 -0.609 0.000 0.996 127 V HN 0.782 nan 8.190 nan 0.000 0.425 128 Y N 4.759 124.521 120.300 -0.897 0.000 2.336 128 Y HA 0.578 5.128 4.550 -0.000 0.000 0.335 128 Y C -0.862 174.319 175.900 -1.199 0.000 1.046 128 Y CA -0.862 56.523 58.100 -1.191 0.000 1.198 128 Y CB 0.761 38.214 38.460 -1.679 0.000 1.182 128 Y HN 0.517 nan 8.280 nan 0.000 0.502 129 F N 4.832 123.834 119.950 -1.581 0.000 2.375 129 F HA 0.398 4.924 4.527 -0.000 0.000 0.361 129 F C 0.911 175.797 175.800 -1.524 0.000 1.117 129 F CA -0.332 56.879 58.000 -1.316 0.000 1.037 129 F CB 1.853 40.147 39.000 -1.177 0.000 1.192 129 F HN 0.776 nan 8.300 nan 0.000 0.452 130 G N 1.558 109.895 108.800 -0.772 0.000 3.192 130 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.239 130 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.239 130 G C 1.144 175.998 174.900 -0.077 0.000 1.084 130 G CA -0.047 44.825 45.100 -0.380 0.000 0.784 130 G HN 0.706 nan 8.290 nan 0.000 0.540 131 E N 0.420 120.586 120.200 -0.058 0.000 2.268 131 E HA 0.104 4.454 4.350 -0.001 0.000 0.195 131 E C 1.445 178.073 176.600 0.047 0.000 0.995 131 E CA 0.565 56.992 56.400 0.046 0.000 0.836 131 E CB -0.022 29.715 29.700 0.062 0.000 0.763 131 E HN 0.222 nan 8.360 nan 0.000 0.491 132 G N 0.529 109.332 108.800 0.005 0.000 2.531 132 G HA2 0.036 3.996 3.960 -0.001 0.000 0.281 132 G HA3 0.036 3.996 3.960 -0.001 0.000 0.281 132 G C 0.440 175.379 174.900 0.065 0.000 1.382 132 G CA -0.417 44.707 45.100 0.040 0.000 1.045 132 G HN -0.034 nan 8.290 nan 0.000 0.533 133 E N -0.211 120.029 120.200 0.067 0.000 2.204 133 E HA 0.008 4.357 4.350 -0.001 0.000 0.194 133 E C 0.256 176.897 176.600 0.069 0.000 0.989 133 E CA 0.887 57.330 56.400 0.071 0.000 0.824 133 E CB 0.235 29.968 29.700 0.055 0.000 0.756 133 E HN 0.294 nan 8.360 nan 0.000 0.477 134 E N -0.685 119.558 120.200 0.071 0.000 2.288 134 E HA 0.497 4.847 4.350 -0.001 0.000 0.268 134 E C -0.186 176.440 176.600 0.044 0.000 0.885 134 E CA -0.636 55.803 56.400 0.063 0.000 0.767 134 E CB 1.792 31.558 29.700 0.109 0.000 1.220 134 E HN 0.019 nan 8.360 nan 0.000 0.427 135 G N 1.212 109.982 108.800 -0.050 0.000 2.425 135 G HA2 0.564 4.524 3.960 -0.001 0.000 0.302 135 G HA3 0.564 4.524 3.960 -0.001 0.000 0.302 135 G C -1.095 173.828 174.900 0.037 0.000 1.159 135 G CA -0.261 44.722 45.100 -0.195 0.000 0.865 135 G HN 0.447 nan 8.290 nan 0.000 0.515 136 Y N -1.360 118.783 120.300 -0.261 0.000 2.641 136 Y HA 0.664 5.214 4.550 -0.001 0.000 0.333 136 Y C -1.546 174.218 175.900 -0.227 0.000 1.174 136 Y CA -2.293 55.779 58.100 -0.046 0.000 1.057 136 Y CB 0.845 39.310 38.460 0.009 0.000 1.322 136 Y HN 0.397 nan 8.280 nan 0.000 0.457 137 F N 1.488 121.603 119.950 0.275 0.000 2.385 137 F HA 0.533 5.059 4.527 -0.001 0.000 0.336 137 F C 0.263 176.241 175.800 0.296 0.000 1.100 137 F CA -0.334 57.778 58.000 0.186 0.000 1.116 137 F CB 1.647 40.738 39.000 0.153 0.000 1.166 137 F HN 0.621 nan 8.300 nan 0.000 0.511 138 E N 1.957 122.406 120.200 0.416 0.000 2.248 138 E HA 0.293 4.643 4.350 -0.001 0.000 0.267 138 E C -1.313 175.450 176.600 0.272 0.000 0.877 138 E CA -0.715 55.908 56.400 0.372 0.000 0.759 138 E CB 1.294 31.257 29.700 0.438 0.000 1.182 138 E HN 0.608 nan 8.360 nan 0.000 0.418 139 E N 3.556 123.885 120.200 0.216 0.000 2.249 139 E HA 0.393 4.742 4.350 -0.001 0.000 0.280 139 E C -0.685 176.017 176.600 0.171 0.000 1.016 139 E CA -0.370 56.151 56.400 0.200 0.000 0.830 139 E CB 1.354 31.171 29.700 0.194 0.000 1.081 139 E HN 0.340 nan 8.360 nan 0.000 0.395 140 L N 2.525 123.859 121.223 0.185 0.000 2.408 140 L HA 0.419 4.759 4.340 -0.001 0.000 0.268 140 L C -0.364 176.611 176.870 0.174 0.000 0.986 140 L CA -0.889 54.057 54.840 0.178 0.000 0.820 140 L CB 2.096 44.284 42.059 0.215 0.000 1.303 140 L HN 0.349 nan 8.230 nan 0.000 0.411 141 K N 2.246 122.742 120.400 0.160 0.000 2.201 141 K HA 0.607 4.926 4.320 -0.001 0.000 0.278 141 K C -1.371 175.310 176.600 0.135 0.000 1.027 141 K CA -0.450 55.932 56.287 0.158 0.000 0.909 141 K CB 1.427 34.026 32.500 0.166 0.000 1.062 141 K HN 0.394 nan 8.250 nan 0.000 0.465 142 V N 3.551 123.538 119.914 0.121 0.000 2.378 142 V HA 0.731 4.850 4.120 -0.001 0.000 0.288 142 V C 0.226 176.365 176.094 0.074 0.000 1.016 142 V CA -0.333 62.026 62.300 0.098 0.000 0.840 142 V CB 0.983 32.864 31.823 0.097 0.000 0.994 142 V HN 1.051 nan 8.190 nan 0.000 0.431 143 G N 5.821 114.657 108.800 0.059 0.000 2.322 143 G HA2 0.499 4.458 3.960 -0.001 0.000 0.295 143 G HA3 0.499 4.458 3.960 -0.001 0.000 0.295 143 G C -3.498 171.420 174.900 0.029 0.000 1.369 143 G CA -0.683 44.441 45.100 0.040 0.000 0.821 143 G HN 0.460 nan 8.290 nan 0.000 0.536 144 P HA 0.497 nan 4.420 nan 0.000 0.274 144 P C -0.499 176.804 177.300 0.005 0.000 1.256 144 P CA -0.251 62.852 63.100 0.006 0.000 0.795 144 P CB 1.229 32.924 31.700 -0.008 0.000 1.038 145 L N 0.955 122.177 121.223 -0.002 0.000 2.342 145 L HA 0.506 4.845 4.340 -0.001 0.000 0.271 145 L C -2.069 174.793 176.870 -0.013 0.000 1.008 145 L CA -2.431 52.407 54.840 -0.003 0.000 0.818 145 L CB 1.248 43.308 42.059 0.002 0.000 1.296 145 L HN 0.232 nan 8.230 nan 0.000 0.427 146 P HA 0.095 nan 4.420 nan 0.000 0.272 146 P C -0.603 176.696 177.300 -0.002 0.000 1.230 146 P CA -0.481 62.616 63.100 -0.006 0.000 0.788 146 P CB 0.509 32.204 31.700 -0.008 0.000 0.949 147 V N 1.834 121.749 119.914 0.001 0.000 2.557 147 V HA 0.229 4.348 4.120 -0.001 0.000 0.301 147 V C 0.941 177.036 176.094 0.002 0.000 1.026 147 V CA 1.161 63.464 62.300 0.005 0.000 1.137 147 V CB -0.337 31.491 31.823 0.008 0.000 0.917 147 V HN 0.923 nan 8.190 nan 0.000 0.484 148 S N 2.798 118.499 115.700 0.002 0.000 2.843 148 S HA 0.380 4.850 4.470 -0.001 0.000 0.301 148 S C 0.075 174.675 174.600 0.000 0.000 1.206 148 S CA -0.681 57.519 58.200 -0.000 0.000 0.875 148 S CB 1.593 64.791 63.200 -0.003 0.000 1.248 148 S HN 0.511 nan 8.310 nan 0.000 0.555 149 D N 0.673 121.073 120.400 -0.001 0.000 2.336 149 D HA 0.178 4.818 4.640 -0.001 0.000 0.229 149 D C 0.583 176.883 176.300 -0.001 0.000 1.061 149 D CA 0.373 54.372 54.000 -0.001 0.000 0.875 149 D CB 0.145 40.943 40.800 -0.002 0.000 0.904 149 D HN 0.448 nan 8.370 nan 0.000 0.525 150 E N -0.108 120.092 120.200 0.000 0.000 2.473 150 E HA 0.040 4.389 4.350 -0.001 0.000 0.204 150 E C 0.247 176.850 176.600 0.005 0.000 0.994 150 E CA 0.200 56.600 56.400 0.001 0.000 0.945 150 E CB 0.612 30.311 29.700 -0.002 0.000 0.990 150 E HN 0.061 nan 8.360 nan 0.000 0.493 151 T N 2.384 116.942 114.554 0.007 0.000 2.888 151 T HA 0.183 4.533 4.350 -0.001 0.000 0.301 151 T C 0.490 175.200 174.700 0.017 0.000 1.001 151 T CA 0.265 62.373 62.100 0.014 0.000 1.147 151 T CB 0.864 69.741 68.868 0.014 0.000 0.931 151 T HN 0.141 nan 8.240 nan 0.000 0.541 152 T N 0.290 114.860 114.554 0.026 0.000 2.907 152 T HA 0.777 5.126 4.350 -0.001 0.000 0.290 152 T C -0.566 174.165 174.700 0.053 0.000 1.066 152 T CA -1.011 61.108 62.100 0.031 0.000 1.012 152 T CB 1.130 70.016 68.868 0.030 0.000 1.184 152 T HN 0.445 nan 8.240 nan 0.000 0.522 153 I N 1.126 121.734 120.570 0.062 0.000 2.418 153 I HA 0.504 4.674 4.170 -0.001 0.000 0.287 153 I C -0.428 175.755 176.117 0.110 0.000 1.008 153 I CA -0.669 60.695 61.300 0.107 0.000 1.104 153 I CB 1.841 39.924 38.000 0.137 0.000 1.264 153 I HN 0.721 nan 8.210 nan 0.000 0.438 154 E N 6.618 126.887 120.200 0.116 0.000 2.367 154 E HA 0.428 4.777 4.350 -0.001 0.000 0.273 154 E C -2.655 174.006 176.600 0.103 0.000 0.903 154 E CA -2.115 54.342 56.400 0.096 0.000 0.764 154 E CB 2.455 32.201 29.700 0.077 0.000 1.252 154 E HN 0.235 nan 8.360 nan 0.000 0.446 155 P HA -0.030 nan 4.420 nan 0.000 0.264 155 P C -1.158 176.175 177.300 0.054 0.000 1.183 155 P CA -0.071 63.065 63.100 0.059 0.000 0.763 155 P CB 0.350 32.062 31.700 0.020 0.000 0.807 156 L N 3.169 124.415 121.223 0.039 0.000 2.349 156 L HA 0.530 4.869 4.340 -0.001 0.000 0.278 156 L C 0.289 177.042 176.870 -0.196 0.000 0.996 156 L CA 0.457 55.289 54.840 -0.013 0.000 0.825 156 L CB 1.306 43.404 42.059 0.065 0.000 1.243 156 L HN 0.443 nan 8.230 nan 0.000 0.412 157 S N 2.170 117.683 115.700 -0.311 0.000 2.760 157 S HA 0.020 4.489 4.470 -0.001 0.000 0.263 157 S C 1.026 175.321 174.600 -0.509 0.000 1.007 157 S CA 0.156 58.096 58.200 -0.433 0.000 1.358 157 S CB -0.949 62.149 63.200 -0.171 0.000 1.228 157 S HN 0.585 nan 8.310 nan 0.000 0.684 158 F N 3.028 122.725 119.950 -0.420 0.000 2.216 158 F HA 0.048 4.575 4.527 -0.001 0.000 0.300 158 F C 1.779 177.494 175.800 -0.141 0.000 1.085 158 F CA 0.685 58.562 58.000 -0.205 0.000 1.326 158 F CB -1.138 37.818 39.000 -0.074 0.000 1.027 158 F HN 0.366 nan 8.300 nan 0.000 0.497 159 Y N -0.580 119.413 120.300 -0.512 0.000 2.490 159 Y HA 0.384 4.933 4.550 -0.000 0.000 0.281 159 Y C -0.230 175.627 175.900 -0.073 0.000 1.174 159 Y CA -1.509 56.447 58.100 -0.240 0.000 1.295 159 Y CB -1.571 36.651 38.460 -0.397 0.000 1.062 159 Y HN -0.070 nan 8.280 nan 0.000 0.522 160 N N 1.603 120.224 118.700 -0.131 0.000 2.414 160 N HA 0.049 4.789 4.740 -0.001 0.000 0.256 160 N C 1.101 176.630 175.510 0.032 0.000 1.029 160 N CA 0.635 53.692 53.050 0.012 0.000 0.948 160 N CB 1.597 40.046 38.487 -0.064 0.000 1.102 160 N HN 0.430 nan 8.380 nan 0.000 0.496 161 T N -1.271 113.334 114.554 0.086 0.000 2.929 161 T HA -0.182 4.168 4.350 -0.001 0.000 0.271 161 T C 1.183 175.904 174.700 0.036 0.000 1.085 161 T CA 0.867 63.015 62.100 0.080 0.000 1.125 161 T CB -0.134 68.786 68.868 0.087 0.000 0.874 161 T HN 0.485 nan 8.240 nan 0.000 0.494 162 N N 1.752 120.465 118.700 0.022 0.000 2.461 162 N HA 0.152 4.892 4.740 -0.001 0.000 0.188 162 N C 1.559 177.070 175.510 0.000 0.000 1.134 162 N CA 0.687 53.744 53.050 0.011 0.000 0.878 162 N CB -0.794 37.701 38.487 0.013 0.000 0.972 162 N HN 0.638 nan 8.380 nan 0.000 0.456 163 G N -0.207 108.588 108.800 -0.008 0.000 2.155 163 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.257 163 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.257 163 G C -0.394 174.485 174.900 -0.034 0.000 0.983 163 G CA 0.591 45.679 45.100 -0.020 0.000 0.676 163 G HN 0.546 nan 8.290 nan 0.000 0.528 164 K N 0.057 120.436 120.400 -0.036 0.000 2.207 164 K HA 0.567 4.887 4.320 -0.001 0.000 0.255 164 K C 1.360 177.934 176.600 -0.043 0.000 0.941 164 K CA -0.055 56.210 56.287 -0.037 0.000 0.825 164 K CB 1.622 34.110 32.500 -0.020 0.000 1.119 164 K HN 0.229 nan 8.250 nan 0.000 0.430 165 S N 1.643 117.319 115.700 -0.040 0.000 2.501 165 S HA 0.035 4.505 4.470 -0.001 0.000 0.220 165 S C 0.302 174.931 174.600 0.049 0.000 0.997 165 S CA 0.172 58.366 58.200 -0.010 0.000 0.919 165 S CB 0.026 63.223 63.200 -0.005 0.000 0.778 165 S HN 0.422 nan 8.310 nan 0.000 0.523 166 K N 1.111 121.517 120.400 0.011 0.000 2.185 166 K HA 0.512 4.832 4.320 -0.001 0.000 0.269 166 K C -1.509 175.152 176.600 0.101 0.000 0.987 166 K CA -0.666 55.649 56.287 0.045 0.000 0.865 166 K CB 1.685 34.062 32.500 -0.204 0.000 1.090 166 K HN 0.157 nan 8.250 nan 0.000 0.450 167 L N 5.688 127.048 121.223 0.230 0.000 2.276 167 L HA 0.397 4.736 4.340 -0.001 0.000 0.286 167 L C -2.628 174.425 176.870 0.305 0.000 1.024 167 L CA -2.058 52.916 54.840 0.223 0.000 0.826 167 L CB 0.983 43.179 42.059 0.228 0.000 1.211 167 L HN 0.391 nan 8.230 nan 0.000 0.422 168 P HA 0.017 nan 4.420 nan 0.000 0.269 168 P C 0.454 177.906 177.300 0.254 0.000 1.209 168 P CA 0.008 63.236 63.100 0.215 0.000 0.776 168 P CB 0.349 32.104 31.700 0.092 0.000 0.876 169 F N 3.113 123.158 119.950 0.157 0.000 2.085 169 F HA -0.299 4.227 4.527 -0.001 0.000 0.299 169 F C 1.868 177.673 175.800 0.009 0.000 1.096 169 F CA 1.911 59.987 58.000 0.126 0.000 1.227 169 F CB -0.211 38.803 39.000 0.022 0.000 0.983 169 F HN 0.309 nan 8.300 nan 0.000 0.482 170 E N 0.025 120.209 120.200 -0.027 0.000 2.153 170 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 170 E C 1.930 178.294 176.600 -0.394 0.000 0.988 170 E CA 1.574 57.810 56.400 -0.275 0.000 0.811 170 E CB -0.644 28.801 29.700 -0.425 0.000 0.746 170 E HN 0.485 nan 8.360 nan 0.000 0.466 171 V N -2.105 117.631 119.914 -0.297 0.000 3.099 171 V HA 0.464 4.584 4.120 -0.001 0.000 0.356 171 V C 0.835 176.854 176.094 -0.125 0.000 1.364 171 V CA -0.055 62.127 62.300 -0.197 0.000 1.229 171 V CB 0.055 31.798 31.823 -0.134 0.000 1.227 171 V HN -0.041 nan 8.190 nan 0.000 0.493 172 G N 0.057 108.771 108.800 -0.144 0.000 2.684 172 G HA2 0.243 4.202 3.960 -0.001 0.000 0.255 172 G HA3 0.243 4.202 3.960 -0.001 0.000 0.255 172 G C -0.328 174.435 174.900 -0.227 0.000 1.219 172 G CA -0.261 44.803 45.100 -0.059 0.000 0.901 172 G HN 0.721 nan 8.290 nan 0.000 0.548 173 H N -0.777 117.901 119.070 -0.654 0.000 2.815 173 H HA 0.168 4.723 4.556 -0.001 0.000 0.350 173 H C 0.316 175.514 175.328 -0.217 0.000 1.080 173 H CA -0.569 55.196 56.048 -0.472 0.000 1.433 173 H CB 1.010 30.367 29.762 -0.676 0.000 1.432 173 H HN 0.255 nan 8.280 nan 0.000 0.592 174 L N 6.113 126.883 121.223 -0.755 0.000 2.395 174 L HA 0.162 4.501 4.340 -0.001 0.000 0.268 174 L C -0.557 176.053 176.870 -0.434 0.000 1.223 174 L CA -0.131 54.449 54.840 -0.434 0.000 1.093 174 L CB -1.357 40.518 42.059 -0.306 0.000 1.349 174 L HN 0.778 nan 8.230 nan 0.000 0.427 175 D N 1.615 121.970 120.400 -0.076 0.000 2.529 175 D HA 0.182 4.821 4.640 -0.001 0.000 0.273 175 D C 0.928 177.297 176.300 0.115 0.000 1.197 175 D CA -0.454 53.682 54.000 0.227 0.000 1.070 175 D CB 0.579 41.694 40.800 0.525 0.000 1.134 175 D HN 0.270 nan 8.370 nan 0.000 0.590 176 R N -0.854 119.624 120.500 -0.037 0.000 2.096 176 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 176 R C 1.934 178.169 176.300 -0.109 0.000 1.127 176 R CA 0.844 56.821 56.100 -0.204 0.000 0.968 176 R CB -0.312 29.644 30.300 -0.573 0.000 0.861 176 R HN 0.455 nan 8.270 nan 0.000 0.440 177 I N 1.052 121.573 120.570 -0.082 0.000 2.202 177 I HA -0.221 3.948 4.170 -0.001 0.000 0.242 177 I C 2.324 178.487 176.117 0.077 0.000 1.091 177 I CA 1.427 62.672 61.300 -0.093 0.000 1.368 177 I CB -0.958 36.965 38.000 -0.129 0.000 1.058 177 I HN 0.104 nan 8.210 nan 0.000 0.410 178 K N 0.783 121.361 120.400 0.298 0.000 2.097 178 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 178 K C 2.290 179.077 176.600 0.311 0.000 1.050 178 K CA 1.448 58.012 56.287 0.460 0.000 0.938 178 K CB 0.101 32.798 32.500 0.328 0.000 0.718 178 K HN 0.090 nan 8.250 nan 0.000 0.442 179 S N 0.498 116.310 115.700 0.186 0.000 2.370 179 S HA -0.164 4.305 4.470 -0.001 0.000 0.226 179 S C 1.990 176.688 174.600 0.163 0.000 1.033 179 S CA 1.247 59.551 58.200 0.174 0.000 1.011 179 S CB -0.307 62.966 63.200 0.122 0.000 0.852 179 S HN 0.537 nan 8.310 nan 0.000 0.457 180 A N 1.434 124.308 122.820 0.089 0.000 1.902 180 A HA 0.128 4.447 4.320 -0.001 0.000 0.217 180 A C 2.345 179.978 177.584 0.081 0.000 1.181 180 A CA 1.678 53.745 52.037 0.049 0.000 0.623 180 A CB -1.033 17.944 19.000 -0.038 0.000 0.818 180 A HN 0.515 nan 8.150 nan 0.000 0.443 181 A N -0.134 122.747 122.820 0.101 0.000 1.902 181 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 181 A C 2.113 179.928 177.584 0.384 0.000 1.181 181 A CA 1.816 53.937 52.037 0.139 0.000 0.623 181 A CB -0.396 18.683 19.000 0.131 0.000 0.818 181 A HN 0.547 nan 8.150 nan 0.000 0.443 182 K N -0.539 120.151 120.400 0.483 0.000 2.057 182 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 182 K C 2.443 179.255 176.600 0.353 0.000 1.050 182 K CA 1.298 57.890 56.287 0.509 0.000 0.935 182 K CB -0.247 32.519 32.500 0.443 0.000 0.715 182 K HN 0.419 nan 8.250 nan 0.000 0.439 183 S N 0.537 116.394 115.700 0.263 0.000 2.370 183 S HA -0.150 4.320 4.470 -0.001 0.000 0.226 183 S C 2.033 176.725 174.600 0.153 0.000 1.033 183 S CA 1.676 59.993 58.200 0.195 0.000 1.011 183 S CB -0.184 63.106 63.200 0.150 0.000 0.852 183 S HN 0.198 nan 8.310 nan 0.000 0.457 184 S N 0.515 116.304 115.700 0.147 0.000 2.368 184 S HA -0.047 4.422 4.470 -0.001 0.000 0.225 184 S C 1.430 176.095 174.600 0.108 0.000 1.030 184 S CA 1.382 59.640 58.200 0.096 0.000 0.999 184 S CB -0.586 62.650 63.200 0.060 0.000 0.844 184 S HN 0.692 nan 8.310 nan 0.000 0.459 185 F N 2.314 122.297 119.950 0.054 0.000 2.134 185 F HA -0.048 4.479 4.527 -0.001 0.000 0.299 185 F C 1.786 177.556 175.800 -0.050 0.000 1.097 185 F CA 1.223 59.252 58.000 0.047 0.000 1.264 185 F CB -0.324 38.816 39.000 0.233 0.000 1.001 185 F HN 0.095 nan 8.300 nan 0.000 0.479 186 L N 0.256 121.425 121.223 -0.091 0.000 2.046 186 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 186 L C 2.510 179.260 176.870 -0.200 0.000 1.077 186 L CA 1.706 56.399 54.840 -0.245 0.000 0.747 186 L CB -1.005 41.026 42.059 -0.046 0.000 0.896 186 L HN 0.345 nan 8.230 nan 0.000 0.432 187 N N 1.021 119.684 118.700 -0.061 0.000 2.120 187 N HA -0.259 4.481 4.740 -0.001 0.000 0.188 187 N C 1.918 177.323 175.510 -0.175 0.000 1.024 187 N CA 1.469 54.502 53.050 -0.029 0.000 0.852 187 N CB 0.087 38.608 38.487 0.058 0.000 1.003 187 N HN 0.285 nan 8.380 nan 0.000 0.424 188 K N 0.592 120.874 120.400 -0.197 0.000 2.103 188 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 188 K C 1.667 178.088 176.600 -0.297 0.000 1.048 188 K CA 1.286 57.438 56.287 -0.225 0.000 0.930 188 K CB -0.009 32.371 32.500 -0.200 0.000 0.716 188 K HN 0.258 nan 8.250 nan 0.000 0.444 189 N N 0.102 118.553 118.700 -0.414 0.000 2.290 189 N HA -0.034 4.706 4.740 -0.001 0.000 0.179 189 N C 1.661 177.009 175.510 -0.270 0.000 1.016 189 N CA 0.878 53.722 53.050 -0.342 0.000 0.871 189 N CB 0.167 38.389 38.487 -0.442 0.000 0.987 189 N HN 0.204 nan 8.380 nan 0.000 0.431 190 L N 0.187 121.221 121.223 -0.315 0.000 2.446 190 L HA 0.082 4.421 4.340 -0.001 0.000 0.219 190 L C 1.077 177.580 176.870 -0.611 0.000 1.116 190 L CA 0.382 55.017 54.840 -0.342 0.000 0.844 190 L CB -0.014 41.937 42.059 -0.180 0.000 0.970 190 L HN -0.016 nan 8.230 nan 0.000 0.457 191 N N -0.172 118.140 118.700 -0.647 0.000 2.238 191 N HA 0.001 4.741 4.740 -0.001 0.000 0.222 191 N C 0.463 175.715 175.510 -0.430 0.000 1.133 191 N CA -0.042 52.546 53.050 -0.771 0.000 0.854 191 N CB 0.202 38.237 38.487 -0.753 0.000 1.041 191 N HN 0.177 nan 8.380 nan 0.000 0.510 192 T N -3.877 110.469 114.554 -0.346 0.000 2.802 192 T HA 0.038 4.388 4.350 -0.001 0.000 0.305 192 T C 1.502 176.038 174.700 -0.273 0.000 1.053 192 T CA -0.107 61.834 62.100 -0.265 0.000 1.058 192 T CB 0.586 69.314 68.868 -0.234 0.000 0.988 192 T HN -0.002 nan 8.240 nan 0.000 0.539 193 T N 1.031 115.447 114.554 -0.230 0.000 2.684 193 T HA -0.087 4.262 4.350 -0.001 0.000 0.267 193 T C 1.937 176.463 174.700 -0.290 0.000 1.036 193 T CA 1.541 63.507 62.100 -0.224 0.000 1.148 193 T CB -0.499 68.258 68.868 -0.185 0.000 0.863 193 T HN 0.570 nan 8.240 nan 0.000 0.436 194 I N 0.523 120.876 120.570 -0.361 0.000 2.179 194 I HA -0.166 4.003 4.170 -0.001 0.000 0.242 194 I C 2.521 178.384 176.117 -0.424 0.000 1.088 194 I CA 1.086 62.067 61.300 -0.531 0.000 1.357 194 I CB -0.315 37.332 38.000 -0.588 0.000 1.051 194 I HN 0.212 nan 8.210 nan 0.000 0.409 195 M N 0.106 119.487 119.600 -0.365 0.000 2.229 195 M HA -0.122 4.357 4.480 -0.001 0.000 0.264 195 M C 2.323 178.412 176.300 -0.351 0.000 1.063 195 M CA 1.544 56.620 55.300 -0.373 0.000 1.114 195 M CB -1.128 31.249 32.600 -0.372 0.000 1.387 195 M HN 0.185 nan 8.290 nan 0.000 0.420 196 R N 0.036 120.342 120.500 -0.324 0.000 2.096 196 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 196 R C 1.990 178.173 176.300 -0.195 0.000 1.127 196 R CA 1.461 57.411 56.100 -0.250 0.000 0.968 196 R CB -0.407 29.765 30.300 -0.214 0.000 0.861 196 R HN 0.406 nan 8.270 nan 0.000 0.440 197 D N 0.347 120.629 120.400 -0.198 0.000 2.097 197 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 197 D C 1.838 178.052 176.300 -0.143 0.000 0.984 197 D CA 1.032 54.954 54.000 -0.130 0.000 0.826 197 D CB 0.170 40.916 40.800 -0.090 0.000 0.973 197 D HN -0.018 nan 8.370 nan 0.000 0.460 198 V N 1.142 120.936 119.914 -0.200 0.000 2.295 198 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 198 V C 2.845 178.717 176.094 -0.371 0.000 1.049 198 V CA 1.166 63.307 62.300 -0.265 0.000 1.024 198 V CB -0.467 31.162 31.823 -0.324 0.000 0.648 198 V HN 0.238 nan 8.190 nan 0.000 0.447 199 L N -0.293 120.678 121.223 -0.419 0.000 2.017 199 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 199 L C 2.606 179.314 176.870 -0.269 0.000 1.073 199 L CA 2.140 56.705 54.840 -0.458 0.000 0.745 199 L CB -0.582 41.260 42.059 -0.362 0.000 0.894 199 L HN 0.409 nan 8.230 nan 0.000 0.432 200 E N 0.112 120.205 120.200 -0.178 0.000 2.110 200 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 200 E C 2.167 178.703 176.600 -0.106 0.000 0.988 200 E CA 1.125 57.459 56.400 -0.111 0.000 0.804 200 E CB -0.140 29.514 29.700 -0.076 0.000 0.745 200 E HN 0.450 nan 8.360 nan 0.000 0.458 201 G N 0.879 109.600 108.800 -0.133 0.000 2.418 201 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 201 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 201 G C 1.522 176.358 174.900 -0.106 0.000 1.158 201 G CA 0.691 45.723 45.100 -0.114 0.000 0.771 201 G HN 0.202 nan 8.290 nan 0.000 0.545 202 L N -0.430 120.683 121.223 -0.184 0.000 2.131 202 L HA 0.217 4.557 4.340 -0.001 0.000 0.206 202 L C 2.636 179.477 176.870 -0.049 0.000 1.087 202 L CA 0.545 55.279 54.840 -0.177 0.000 0.767 202 L CB -0.142 41.643 42.059 -0.457 0.000 0.917 202 L HN 0.176 nan 8.230 nan 0.000 0.441 203 I N -1.205 119.319 120.570 -0.077 0.000 3.081 203 I HA 0.111 4.280 4.170 -0.001 0.000 0.274 203 I C 1.599 177.730 176.117 0.022 0.000 1.178 203 I CA 0.829 62.125 61.300 -0.007 0.000 1.460 203 I CB 0.159 38.128 38.000 -0.052 0.000 1.137 203 I HN 0.382 nan 8.210 nan 0.000 0.443 204 G N 1.594 110.391 108.800 -0.005 0.000 2.176 204 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.232 204 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.232 204 G C 0.251 175.154 174.900 0.004 0.000 0.986 204 G CA 0.086 45.193 45.100 0.012 0.000 0.643 204 G HN 0.381 nan 8.290 nan 0.000 0.522 205 V N -2.903 117.004 119.914 -0.010 0.000 2.962 205 V HA 0.960 5.080 4.120 -0.001 0.000 0.313 205 V C -2.477 173.602 176.094 -0.025 0.000 1.099 205 V CA -2.266 60.027 62.300 -0.013 0.000 0.971 205 V CB 2.403 34.221 31.823 -0.009 0.000 1.028 205 V HN 0.106 nan 8.190 nan 0.000 0.430 206 P HA 0.124 nan 4.420 nan 0.000 0.274 206 P C 0.167 177.478 177.300 0.018 0.000 1.246 206 P CA 0.019 63.117 63.100 -0.003 0.000 0.795 206 P CB 0.642 32.343 31.700 0.002 0.000 1.006 207 Y N 1.593 121.837 120.300 -0.093 0.000 2.139 207 Y HA -0.292 4.258 4.550 -0.001 0.000 0.282 207 Y C 1.971 177.835 175.900 -0.059 0.000 1.179 207 Y CA 2.226 60.272 58.100 -0.090 0.000 1.161 207 Y CB -0.700 37.697 38.460 -0.105 0.000 0.970 207 Y HN 0.317 nan 8.280 nan 0.000 0.511 208 E N -0.082 120.087 120.200 -0.052 0.000 2.265 208 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 208 E C 1.147 177.661 176.600 -0.144 0.000 0.996 208 E CA 1.460 57.786 56.400 -0.124 0.000 0.832 208 E CB -0.246 29.434 29.700 -0.033 0.000 0.756 208 E HN 0.519 nan 8.360 nan 0.000 0.491 209 D N -0.839 119.493 120.400 -0.113 0.000 2.363 209 D HA 0.118 4.757 4.640 -0.001 0.000 0.214 209 D C 0.518 176.759 176.300 -0.098 0.000 1.093 209 D CA 0.138 54.086 54.000 -0.087 0.000 0.837 209 D CB 0.102 40.872 40.800 -0.050 0.000 0.948 209 D HN 0.291 nan 8.370 nan 0.000 0.507 210 M N -1.962 117.547 119.600 -0.151 0.000 2.719 210 M HA 0.757 5.236 4.480 -0.001 0.000 0.291 210 M C -0.528 175.669 176.300 -0.171 0.000 1.264 210 M CA -1.029 54.198 55.300 -0.122 0.000 0.811 210 M CB 2.599 35.151 32.600 -0.080 0.000 1.756 210 M HN -0.197 nan 8.290 nan 0.000 0.464 211 G N 0.645 109.403 108.800 -0.070 0.000 2.707 211 G HA2 0.643 4.603 3.960 -0.001 0.000 0.299 211 G HA3 0.643 4.603 3.960 -0.001 0.000 0.299 211 G C -1.588 173.406 174.900 0.156 0.000 1.442 211 G CA -0.492 44.592 45.100 -0.027 0.000 1.009 211 G HN 0.915 nan 8.290 nan 0.000 0.515 212 c N 1.848 120.573 118.600 0.209 0.000 2.376 212 c HA 0.976 5.546 4.570 -0.001 0.000 0.335 212 c C 0.051 174.446 174.090 0.509 0.000 1.229 212 c CA -0.577 55.991 56.329 0.398 0.000 1.867 212 c CB 0.271 43.000 42.510 0.365 0.000 2.319 212 c HN 1.047 nan 8.230 nan 0.000 0.515 213 H N -1.076 118.238 119.070 0.406 0.000 2.981 213 H HA 0.684 5.239 4.556 -0.001 0.000 0.327 213 H C -1.112 174.541 175.328 0.542 0.000 1.342 213 H CA -0.610 55.681 56.048 0.405 0.000 1.123 213 H CB 0.629 30.561 29.762 0.284 0.000 1.851 213 H HN 0.436 nan 8.280 nan 0.000 0.531 214 S N 0.036 116.090 115.700 0.590 0.000 2.593 214 S HA 0.716 5.186 4.470 -0.001 0.000 0.297 214 S C -0.056 174.843 174.600 0.498 0.000 1.112 214 S CA -0.394 58.142 58.200 0.560 0.000 1.043 214 S CB 1.542 65.087 63.200 0.576 0.000 1.054 214 S HN 0.865 nan 8.310 nan 0.000 0.516 215 A N 1.320 124.277 122.820 0.228 0.000 2.351 215 A HA 0.734 5.053 4.320 -0.001 0.000 0.257 215 A C 0.074 177.642 177.584 -0.026 0.000 1.087 215 A CA -0.474 51.428 52.037 -0.224 0.000 0.798 215 A CB 0.113 18.797 19.000 -0.527 0.000 1.033 215 A HN 1.038 nan 8.150 nan 0.000 0.488 216 A N 2.979 125.784 122.820 -0.024 0.000 2.355 216 A HA 0.831 5.151 4.320 -0.001 0.000 0.317 216 A C -2.706 174.861 177.584 -0.028 0.000 1.094 216 A CA -1.781 50.313 52.037 0.095 0.000 0.764 216 A CB 1.201 20.461 19.000 0.433 0.000 1.230 216 A HN 0.657 nan 8.150 nan 0.000 0.448 217 P HA 0.241 nan 4.420 nan 0.000 0.279 217 P C -0.595 176.673 177.300 -0.053 0.000 1.276 217 P CA -0.300 62.789 63.100 -0.018 0.000 0.801 217 P CB 0.703 32.361 31.700 -0.069 0.000 1.127 218 Q N -0.361 119.396 119.800 -0.071 0.000 2.535 218 Q HA 0.292 4.632 4.340 -0.001 0.000 0.228 218 Q C -0.357 175.583 176.000 -0.101 0.000 1.062 218 Q CA -0.111 55.621 55.803 -0.118 0.000 0.967 218 Q CB 0.132 28.785 28.738 -0.141 0.000 1.273 218 Q HN 0.367 nan 8.270 nan 0.000 0.554 219 L N 1.850 123.000 121.223 -0.122 0.000 2.384 219 L HA 0.278 4.618 4.340 -0.001 0.000 0.261 219 L C -0.749 176.103 176.870 -0.030 0.000 1.024 219 L CA -0.569 54.230 54.840 -0.068 0.000 0.899 219 L CB 0.524 42.529 42.059 -0.089 0.000 1.243 219 L HN 0.564 nan 8.230 nan 0.000 0.449 220 H N 1.485 120.520 119.070 -0.059 0.000 2.580 220 H HA 0.236 4.792 4.556 -0.001 0.000 0.322 220 H C -0.839 174.509 175.328 0.033 0.000 1.082 220 H CA -0.328 55.700 56.048 -0.033 0.000 1.383 220 H CB 1.192 30.940 29.762 -0.023 0.000 1.450 220 H HN 0.443 nan 8.280 nan 0.000 0.505 221 D N 5.765 125.825 120.400 -0.567 0.000 2.373 221 D HA 0.213 4.853 4.640 -0.001 0.000 0.227 221 D C -1.902 174.018 176.300 -0.633 0.000 1.091 221 D CA -2.418 51.322 54.000 -0.435 0.000 0.840 221 D CB 1.636 42.278 40.800 -0.263 0.000 1.060 221 D HN 0.362 nan 8.370 nan 0.000 0.502 222 P HA -0.078 nan 4.420 nan 0.000 0.218 222 P C 0.967 178.161 177.300 -0.176 0.000 1.149 222 P CA 0.990 63.954 63.100 -0.226 0.000 0.817 222 P CB 0.214 31.831 31.700 -0.137 0.000 0.785 223 A N -0.170 122.527 122.820 -0.204 0.000 1.877 223 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 223 A C 2.219 179.741 177.584 -0.102 0.000 1.186 223 A CA 2.737 54.691 52.037 -0.138 0.000 0.620 223 A CB -1.821 17.095 19.000 -0.140 0.000 0.822 223 A HN 0.354 nan 8.150 nan 0.000 0.443 224 T N -5.340 109.141 114.554 -0.122 0.000 3.037 224 T HA 0.418 4.767 4.350 -0.001 0.000 0.251 224 T C 1.485 176.149 174.700 -0.060 0.000 1.079 224 T CA 1.113 63.165 62.100 -0.080 0.000 1.067 224 T CB 0.352 69.173 68.868 -0.078 0.000 0.948 224 T HN 1.753 nan 8.240 nan 0.000 0.496 225 G N 1.459 110.194 108.800 -0.108 0.000 2.176 225 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.253 225 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.253 225 G C 0.327 175.245 174.900 0.030 0.000 0.979 225 G CA -0.061 45.046 45.100 0.012 0.000 0.641 225 G HN 1.180 nan 8.290 nan 0.000 0.530 226 A N 0.028 122.795 122.820 -0.088 0.000 2.407 226 A HA 0.691 5.011 4.320 -0.001 0.000 0.248 226 A C 0.472 178.028 177.584 -0.046 0.000 1.082 226 A CA 1.186 53.193 52.037 -0.050 0.000 0.785 226 A CB 0.550 19.504 19.000 -0.077 0.000 1.020 226 A HN 0.795 nan 8.150 nan 0.000 0.489 227 T N 1.817 116.359 114.554 -0.019 0.000 2.840 227 T HA 0.541 4.890 4.350 -0.001 0.000 0.287 227 T C -0.094 174.465 174.700 -0.236 0.000 0.991 227 T CA -0.197 61.869 62.100 -0.056 0.000 0.964 227 T CB 0.864 69.719 68.868 -0.021 0.000 0.954 227 T HN 1.225 nan 8.240 nan 0.000 0.438 228 V N 0.161 119.905 119.914 -0.284 0.000 3.158 228 V HA 0.996 5.116 4.120 -0.001 0.000 0.315 228 V C -1.300 174.450 176.094 -0.573 0.000 1.148 228 V CA -0.887 61.140 62.300 -0.456 0.000 1.042 228 V CB 2.422 34.002 31.823 -0.406 0.000 1.101 228 V HN 0.708 nan 8.190 nan 0.000 0.448 229 D N -1.307 118.560 120.400 -0.889 0.000 2.717 229 D HA 0.491 5.130 4.640 -0.001 0.000 0.223 229 D C -1.821 174.015 176.300 -0.774 0.000 1.240 229 D CA -0.227 53.308 54.000 -0.775 0.000 0.801 229 D CB 2.088 42.364 40.800 -0.874 0.000 1.556 229 D HN 0.587 nan 8.370 nan 0.000 0.462 230 Y N 0.193 120.268 120.300 -0.375 0.000 2.519 230 Y HA 0.771 5.320 4.550 -0.001 0.000 0.324 230 Y C 1.217 177.081 175.900 -0.060 0.000 1.214 230 Y CA 0.063 58.038 58.100 -0.207 0.000 1.260 230 Y CB 2.184 40.507 38.460 -0.229 0.000 1.311 230 Y HN 0.426 nan 8.280 nan 0.000 0.505 231 G N -0.638 108.092 108.800 -0.117 0.000 2.608 231 G HA2 0.520 4.479 3.960 -0.001 0.000 0.291 231 G HA3 0.520 4.479 3.960 -0.001 0.000 0.291 231 G C -1.467 172.996 174.900 -0.728 0.000 1.425 231 G CA -0.544 44.330 45.100 -0.376 0.000 0.787 231 G HN 0.605 nan 8.290 nan 0.000 0.484 232 T N -2.155 112.026 114.554 -0.622 0.000 2.671 232 T HA 0.578 4.927 4.350 -0.001 0.000 0.300 232 T C -1.373 173.268 174.700 -0.097 0.000 1.238 232 T CA -0.271 61.593 62.100 -0.393 0.000 1.020 232 T CB 1.161 69.723 68.868 -0.511 0.000 1.503 232 T HN 0.930 nan 8.240 nan 0.000 0.497 233 c N 2.016 120.640 118.600 0.040 0.000 2.634 233 c HA 0.840 5.410 4.570 -0.001 0.000 0.313 233 c C -0.518 173.623 174.090 0.085 0.000 1.198 233 c CA -0.843 55.581 56.329 0.158 0.000 1.605 233 c CB 0.782 43.414 42.510 0.204 0.000 2.196 233 c HN 0.931 nan 8.230 nan 0.000 0.486 234 N N 0.978 119.751 118.700 0.121 0.000 2.240 234 N HA 0.587 5.326 4.740 -0.001 0.000 0.302 234 N C -0.854 174.671 175.510 0.025 0.000 1.106 234 N CA -0.674 52.419 53.050 0.071 0.000 0.778 234 N CB 0.738 39.262 38.487 0.062 0.000 1.431 234 N HN 0.423 nan 8.380 nan 0.000 0.479 235 I N 1.542 122.123 120.570 0.018 0.000 2.648 235 I HA 0.045 4.214 4.170 -0.001 0.000 0.284 235 I C 0.281 176.368 176.117 -0.050 0.000 1.153 235 I CA -0.175 61.119 61.300 -0.010 0.000 1.426 235 I CB -0.219 37.788 38.000 0.012 0.000 1.381 235 I HN 0.413 nan 8.210 nan 0.000 0.571 236 N N 4.452 123.113 118.700 -0.065 0.000 2.492 236 N HA 0.213 4.953 4.740 -0.001 0.000 0.260 236 N C 0.234 175.689 175.510 -0.092 0.000 1.215 236 N CA 0.011 53.011 53.050 -0.084 0.000 0.923 236 N CB 0.820 39.256 38.487 -0.083 0.000 1.092 236 N HN 0.704 nan 8.380 nan 0.000 0.448 237 T N -2.335 112.151 114.554 -0.112 0.000 2.901 237 T HA 0.385 4.735 4.350 -0.001 0.000 0.293 237 T C 0.370 175.002 174.700 -0.113 0.000 1.084 237 T CA -0.722 61.300 62.100 -0.129 0.000 1.008 237 T CB 1.933 70.688 68.868 -0.189 0.000 1.170 237 T HN 0.193 nan 8.240 nan 0.000 0.509 238 E N 0.851 120.987 120.200 -0.106 0.000 2.474 238 E HA 0.052 4.401 4.350 -0.001 0.000 0.195 238 E C 0.737 177.282 176.600 -0.091 0.000 1.039 238 E CA 0.180 56.527 56.400 -0.088 0.000 0.881 238 E CB 0.112 29.767 29.700 -0.075 0.000 0.970 238 E HN 0.748 nan 8.360 nan 0.000 0.486 239 N N 0.079 118.713 118.700 -0.111 0.000 2.282 239 N HA -0.007 4.733 4.740 -0.001 0.000 0.240 239 N C -0.237 175.216 175.510 -0.094 0.000 1.182 239 N CA 0.026 53.025 53.050 -0.085 0.000 0.874 239 N CB 0.459 38.904 38.487 -0.071 0.000 1.126 239 N HN -0.220 nan 8.380 nan 0.000 0.516 240 D N -0.823 119.494 120.400 -0.138 0.000 2.981 240 D HA -0.190 4.450 4.640 -0.001 0.000 0.223 240 D C 0.034 176.062 176.300 -0.452 0.000 1.151 240 D CA 1.020 54.922 54.000 -0.164 0.000 0.827 240 D CB -1.240 39.552 40.800 -0.013 0.000 1.101 240 D HN 0.558 nan 8.370 nan 0.000 0.426 241 A N -0.221 122.258 122.820 -0.570 0.000 2.507 241 A HA 0.361 4.681 4.320 -0.001 0.000 0.270 241 A C 1.582 178.849 177.584 -0.528 0.000 1.318 241 A CA 0.201 51.672 52.037 -0.944 0.000 0.924 241 A CB 0.148 18.685 19.000 -0.772 0.000 1.061 241 A HN 0.216 nan 8.150 nan 0.000 0.516 242 E N 0.626 120.620 120.200 -0.343 0.000 2.171 242 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 242 E C 1.371 177.890 176.600 -0.134 0.000 0.997 242 E CA 1.482 57.764 56.400 -0.196 0.000 0.810 242 E CB -0.164 29.438 29.700 -0.164 0.000 0.738 242 E HN 0.543 nan 8.360 nan 0.000 0.467 243 N N -0.358 118.249 118.700 -0.155 0.000 2.453 243 N HA -0.048 4.691 4.740 -0.001 0.000 0.183 243 N C 0.939 176.468 175.510 0.030 0.000 1.041 243 N CA 0.559 53.593 53.050 -0.026 0.000 0.900 243 N CB 0.107 38.606 38.487 0.020 0.000 0.961 243 N HN 0.223 nan 8.380 nan 0.000 0.443 244 L N -0.053 121.144 121.223 -0.043 0.000 2.592 244 L HA 0.143 4.483 4.340 -0.001 0.000 0.227 244 L C 0.366 177.342 176.870 0.177 0.000 1.127 244 L CA 0.152 55.045 54.840 0.087 0.000 0.884 244 L CB 0.271 42.301 42.059 -0.048 0.000 1.065 244 L HN -0.046 nan 8.230 nan 0.000 0.457 245 V N -2.740 117.227 119.914 0.088 0.000 2.562 245 V HA 0.381 4.500 4.120 -0.001 0.000 0.274 245 V C -2.673 173.507 176.094 0.144 0.000 1.075 245 V CA -1.656 60.732 62.300 0.147 0.000 1.204 245 V CB -0.074 31.794 31.823 0.075 0.000 1.478 245 V HN -0.067 nan 8.190 nan 0.000 0.622 246 P HA 0.213 nan 4.420 nan 0.000 0.276 246 P C 1.034 178.474 177.300 0.233 0.000 1.230 246 P CA 0.457 63.656 63.100 0.165 0.000 0.776 246 P CB 1.646 33.467 31.700 0.202 0.000 0.888 247 T N -1.673 112.949 114.554 0.112 0.000 3.081 247 T HA 0.194 4.544 4.350 -0.001 0.000 0.255 247 T C 1.405 176.024 174.700 -0.135 0.000 1.113 247 T CA 0.698 62.855 62.100 0.096 0.000 1.082 247 T CB -0.908 67.994 68.868 0.057 0.000 0.939 247 T HN 0.641 nan 8.240 nan 0.000 0.506 248 G N 1.070 109.694 108.800 -0.294 0.000 2.148 248 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.254 248 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.254 248 G C -0.177 174.266 174.900 -0.762 0.000 0.981 248 G CA 0.136 44.856 45.100 -0.632 0.000 0.670 248 G HN 0.676 nan 8.290 nan 0.000 0.528 249 F N 1.070 120.607 119.950 -0.688 0.000 2.405 249 F HA 0.735 5.261 4.527 -0.001 0.000 0.355 249 F C -0.013 175.478 175.800 -0.514 0.000 1.121 249 F CA -1.331 56.488 58.000 -0.302 0.000 1.112 249 F CB 0.442 39.425 39.000 -0.030 0.000 1.126 249 F HN -0.017 nan 8.300 nan 0.000 0.481 250 F N 5.700 125.437 119.950 -0.356 0.000 2.611 250 F HA 0.715 5.241 4.527 -0.001 0.000 0.324 250 F C -0.824 174.914 175.800 -0.103 0.000 1.061 250 F CA -1.014 56.868 58.000 -0.196 0.000 0.954 250 F CB 1.826 40.790 39.000 -0.061 0.000 1.301 250 F HN 0.379 nan 8.300 nan 0.000 0.482 251 F N -0.780 119.346 119.950 0.292 0.000 2.741 251 F HA 0.699 5.225 4.527 -0.001 0.000 0.313 251 F C -1.617 174.268 175.800 0.141 0.000 1.153 251 F CA -1.304 56.782 58.000 0.143 0.000 0.931 251 F CB 1.902 40.986 39.000 0.140 0.000 1.335 251 F HN 0.371 nan 8.300 nan 0.000 0.460 252 K N 1.710 122.218 120.400 0.179 0.000 2.513 252 K HA 0.636 4.955 4.320 -0.001 0.000 0.251 252 K C -2.140 174.496 176.600 0.061 0.000 0.939 252 K CA -0.618 55.544 56.287 -0.207 0.000 0.793 252 K CB 2.258 34.403 32.500 -0.593 0.000 1.241 252 K HN 0.765 nan 8.250 nan 0.000 0.431 253 F N 0.050 119.944 119.950 -0.093 0.000 2.603 253 F HA 0.509 5.036 4.527 -0.001 0.000 0.317 253 F C -0.762 174.937 175.800 -0.168 0.000 1.066 253 F CA -1.105 56.885 58.000 -0.016 0.000 0.941 253 F CB 1.343 40.490 39.000 0.246 0.000 1.291 253 F HN 0.264 nan 8.300 nan 0.000 0.472 254 D N 3.415 123.801 120.400 -0.025 0.000 2.280 254 D HA 0.312 4.951 4.640 -0.001 0.000 0.236 254 D C -0.389 175.708 176.300 -0.337 0.000 1.082 254 D CA -0.453 53.433 54.000 -0.191 0.000 0.834 254 D CB 1.579 42.333 40.800 -0.077 0.000 1.100 254 D HN 0.830 nan 8.370 nan 0.000 0.486 255 M N 1.333 120.545 119.600 -0.646 0.000 2.963 255 M HA 0.276 4.756 4.480 -0.001 0.000 0.350 255 M C -0.435 175.293 176.300 -0.953 0.000 1.253 255 M CA -0.714 53.654 55.300 -1.553 0.000 0.856 255 M CB 0.555 32.180 32.600 -1.626 0.000 1.356 255 M HN -0.131 nan 8.290 nan 0.000 0.510 256 T N 2.136 116.493 114.554 -0.328 0.000 2.870 256 T HA 0.582 4.931 4.350 -0.001 0.000 0.300 256 T C 0.788 175.659 174.700 0.286 0.000 0.989 256 T CA 0.935 63.046 62.100 0.018 0.000 1.139 256 T CB 0.905 69.806 68.868 0.055 0.000 0.920 256 T HN 0.862 nan 8.240 nan 0.000 0.537 257 G N 2.662 111.666 108.800 0.340 0.000 2.795 257 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.664 257 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.664 257 G C 0.268 175.340 174.900 0.287 0.000 1.381 257 G CA -0.655 44.614 45.100 0.281 0.000 0.853 257 G HN 0.698 nan 8.290 nan 0.000 0.545 258 R N -0.136 120.285 120.500 -0.132 0.000 2.310 258 R HA 0.109 4.449 4.340 -0.001 0.000 0.202 258 R C -0.311 176.066 176.300 0.129 0.000 0.933 258 R CA 0.294 56.198 56.100 -0.327 0.000 1.054 258 R CB 0.256 30.046 30.300 -0.850 0.000 0.985 258 R HN 0.441 nan 8.270 nan 0.000 0.489 259 D N 1.363 121.855 120.400 0.155 0.000 2.443 259 D HA 0.009 4.648 4.640 -0.001 0.000 0.221 259 D C 1.391 177.582 176.300 -0.181 0.000 1.097 259 D CA -0.044 54.014 54.000 0.096 0.000 0.865 259 D CB 1.973 42.848 40.800 0.124 0.000 1.034 259 D HN -0.096 nan 8.370 nan 0.000 0.511 260 V N 1.233 120.882 119.914 -0.442 0.000 2.913 260 V HA -0.204 3.915 4.120 -0.001 0.000 0.260 260 V C 1.910 177.815 176.094 -0.316 0.000 1.098 260 V CA 1.713 63.440 62.300 -0.955 0.000 1.121 260 V CB -0.765 30.524 31.823 -0.890 0.000 0.714 260 V HN 0.424 nan 8.190 nan 0.000 0.487 261 S N -0.128 115.512 115.700 -0.100 0.000 2.474 261 S HA -0.156 4.314 4.470 -0.001 0.000 0.235 261 S C 1.726 176.391 174.600 0.108 0.000 0.997 261 S CA 1.272 59.492 58.200 0.032 0.000 0.949 261 S CB -0.393 62.822 63.200 0.025 0.000 0.766 261 S HN 0.619 nan 8.310 nan 0.000 0.517 262 Q N -0.315 119.559 119.800 0.124 0.000 2.356 262 Q HA 0.297 4.636 4.340 -0.001 0.000 0.205 262 Q C -0.425 175.791 176.000 0.360 0.000 0.901 262 Q CA -0.122 55.809 55.803 0.213 0.000 0.938 262 Q CB 0.044 28.899 28.738 0.196 0.000 1.081 262 Q HN 0.596 nan 8.270 nan 0.000 0.517 263 W N 2.333 123.671 121.300 0.062 0.000 2.158 263 W HA 0.252 4.911 4.660 -0.001 0.000 0.339 263 W C 0.371 176.983 176.519 0.155 0.000 1.294 263 W CA -0.516 56.791 57.345 -0.064 0.000 1.231 263 W CB 0.081 29.241 29.460 -0.500 0.000 1.143 263 W HN -0.081 nan 8.180 nan 0.000 0.571 264 K N 1.480 122.116 120.400 0.393 0.000 2.542 264 K HA 0.602 4.921 4.320 -0.001 0.000 0.259 264 K C -1.092 175.808 176.600 0.500 0.000 0.932 264 K CA -1.136 55.438 56.287 0.478 0.000 0.820 264 K CB 1.566 34.229 32.500 0.271 0.000 1.345 264 K HN 0.211 nan 8.250 nan 0.000 0.432 265 M N 3.657 123.531 119.600 0.457 0.000 2.219 265 M HA 0.185 4.664 4.480 -0.001 0.000 0.353 265 M C -0.395 175.979 176.300 0.123 0.000 1.304 265 M CA -0.257 55.200 55.300 0.262 0.000 1.115 265 M CB 0.382 33.004 32.600 0.036 0.000 1.664 265 M HN 0.891 nan 8.290 nan 0.000 0.459 266 L N 2.137 123.398 121.223 0.063 0.000 2.286 266 L HA 0.294 4.633 4.340 -0.001 0.000 0.203 266 L C 0.126 176.988 176.870 -0.013 0.000 1.068 266 L CA 0.449 55.298 54.840 0.016 0.000 0.811 266 L CB 0.014 42.053 42.059 -0.033 0.000 0.989 266 L HN 0.648 nan 8.230 nan 0.000 0.467 267 E N -1.676 118.477 120.200 -0.078 0.000 2.390 267 E HA 0.402 4.752 4.350 -0.001 0.000 0.277 267 E C -1.796 174.701 176.600 -0.173 0.000 0.939 267 E CA -0.631 55.748 56.400 -0.035 0.000 0.769 267 E CB 2.176 31.900 29.700 0.039 0.000 1.251 267 E HN -0.107 nan 8.360 nan 0.000 0.450 268 Y N 0.877 121.342 120.300 0.274 0.000 2.377 268 Y HA 0.551 5.100 4.550 -0.001 0.000 0.339 268 Y C -0.120 175.948 175.900 0.280 0.000 1.011 268 Y CA -0.783 57.462 58.100 0.241 0.000 1.093 268 Y CB 1.390 40.007 38.460 0.262 0.000 1.201 268 Y HN 0.278 nan 8.280 nan 0.000 0.455 269 I N 3.822 124.576 120.570 0.306 0.000 2.466 269 I HA 0.324 4.494 4.170 -0.001 0.000 0.289 269 I C -1.504 174.838 176.117 0.374 0.000 1.026 269 I CA -0.878 60.627 61.300 0.342 0.000 1.078 269 I CB 1.812 39.977 38.000 0.275 0.000 1.249 269 I HN 0.536 nan 8.210 nan 0.000 0.429 270 Y N 6.301 126.784 120.300 0.305 0.000 2.482 270 Y HA 0.254 4.803 4.550 -0.001 0.000 0.334 270 Y C 0.441 176.483 175.900 0.236 0.000 1.091 270 Y CA -0.975 57.280 58.100 0.258 0.000 1.027 270 Y CB 1.520 40.164 38.460 0.307 0.000 1.306 270 Y HN 0.744 nan 8.280 nan 0.000 0.446 271 N N 4.968 123.382 118.700 -0.477 0.000 2.721 271 N HA -0.313 4.427 4.740 -0.001 0.000 0.249 271 N C -0.477 174.983 175.510 -0.083 0.000 1.072 271 N CA 1.018 53.867 53.050 -0.335 0.000 0.710 271 N CB -0.606 37.660 38.487 -0.368 0.000 0.993 271 N HN 0.949 nan 8.380 nan 0.000 0.547 272 N N -1.626 117.064 118.700 -0.016 0.000 2.800 272 N HA -0.170 4.569 4.740 -0.001 0.000 0.250 272 N C -1.042 174.473 175.510 0.007 0.000 1.078 272 N CA 1.503 54.548 53.050 -0.009 0.000 0.804 272 N CB -0.738 37.722 38.487 -0.044 0.000 1.135 272 N HN 0.626 nan 8.380 nan 0.000 0.565 273 K N 0.430 120.867 120.400 0.061 0.000 2.203 273 K HA 0.625 4.945 4.320 -0.001 0.000 0.251 273 K C -0.095 176.465 176.600 -0.067 0.000 0.944 273 K CA -0.645 55.628 56.287 -0.024 0.000 0.829 273 K CB 2.365 34.863 32.500 -0.004 0.000 1.125 273 K HN -0.191 nan 8.250 nan 0.000 0.430 274 V N 3.166 122.936 119.914 -0.239 0.000 2.435 274 V HA 0.337 4.456 4.120 -0.001 0.000 0.290 274 V C -1.150 174.706 176.094 -0.396 0.000 1.030 274 V CA -0.788 61.421 62.300 -0.153 0.000 0.881 274 V CB 0.451 32.248 31.823 -0.044 0.000 0.983 274 V HN 0.581 nan 8.190 nan 0.000 0.445 275 Y N 1.607 122.027 120.300 0.199 0.000 2.376 275 Y HA 0.402 4.952 4.550 -0.001 0.000 0.340 275 Y C 1.321 177.340 175.900 0.198 0.000 0.965 275 Y CA -0.789 57.441 58.100 0.217 0.000 1.078 275 Y CB 2.166 40.798 38.460 0.286 0.000 1.193 275 Y HN 0.707 nan 8.280 nan 0.000 0.452 276 T N -2.622 112.095 114.554 0.272 0.000 3.107 276 T HA 0.232 4.582 4.350 -0.001 0.000 0.249 276 T C 0.247 175.074 174.700 0.212 0.000 1.096 276 T CA 0.384 62.596 62.100 0.186 0.000 1.012 276 T CB -0.261 68.680 68.868 0.121 0.000 0.977 276 T HN 0.528 nan 8.240 nan 0.000 0.527 277 S N -1.094 114.791 115.700 0.308 0.000 2.588 277 S HA 0.748 5.218 4.470 -0.001 0.000 0.269 277 S C 1.056 175.885 174.600 0.382 0.000 1.157 277 S CA -0.495 57.891 58.200 0.309 0.000 0.824 277 S CB 1.126 64.444 63.200 0.197 0.000 1.126 277 S HN 0.173 nan 8.310 nan 0.000 0.464 278 A N 0.940 123.962 122.820 0.337 0.000 1.908 278 A HA -0.077 4.243 4.320 -0.001 0.000 0.218 278 A C 1.968 179.581 177.584 0.049 0.000 1.181 278 A CA 2.326 54.415 52.037 0.088 0.000 0.627 278 A CB -1.328 17.660 19.000 -0.020 0.000 0.818 278 A HN 1.026 nan 8.150 nan 0.000 0.445 279 E N 0.173 120.423 120.200 0.083 0.000 2.085 279 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 279 E C 1.965 178.651 176.600 0.144 0.000 0.994 279 E CA 1.801 58.262 56.400 0.103 0.000 0.801 279 E CB -0.305 29.447 29.700 0.087 0.000 0.743 279 E HN 0.713 nan 8.360 nan 0.000 0.453 280 E N -0.583 119.716 120.200 0.164 0.000 2.110 280 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 280 E C 2.006 178.700 176.600 0.158 0.000 0.988 280 E CA 1.122 57.641 56.400 0.198 0.000 0.804 280 E CB -0.162 29.705 29.700 0.278 0.000 0.745 280 E HN 0.331 nan 8.360 nan 0.000 0.458 281 L N 0.360 121.611 121.223 0.045 0.000 2.056 281 L HA -0.151 4.188 4.340 -0.001 0.000 0.207 281 L C 2.161 178.875 176.870 -0.259 0.000 1.078 281 L CA 1.842 56.473 54.840 -0.348 0.000 0.749 281 L CB -1.042 40.776 42.059 -0.401 0.000 0.901 281 L HN 0.265 nan 8.230 nan 0.000 0.433 282 Y N 0.415 120.565 120.300 -0.251 0.000 2.165 282 Y HA -0.287 4.263 4.550 -0.001 0.000 0.286 282 Y C 2.408 178.183 175.900 -0.209 0.000 1.155 282 Y CA 2.155 60.107 58.100 -0.247 0.000 1.164 282 Y CB 0.083 38.438 38.460 -0.177 0.000 0.978 282 Y HN 0.376 nan 8.280 nan 0.000 0.513 283 E N -0.104 120.018 120.200 -0.128 0.000 2.072 283 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 283 E C 2.346 178.847 176.600 -0.165 0.000 0.985 283 E CA 0.779 57.077 56.400 -0.169 0.000 0.801 283 E CB -0.265 29.426 29.700 -0.015 0.000 0.750 283 E HN 0.590 nan 8.360 nan 0.000 0.452 284 A N 1.049 123.808 122.820 -0.101 0.000 1.933 284 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 284 A C 2.096 179.535 177.584 -0.242 0.000 1.175 284 A CA 1.237 53.270 52.037 -0.006 0.000 0.628 284 A CB -0.433 18.707 19.000 0.235 0.000 0.814 284 A HN 0.155 nan 8.150 nan 0.000 0.444 285 M N -0.752 118.445 119.600 -0.672 0.000 2.460 285 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 285 M C 1.916 177.908 176.300 -0.513 0.000 1.071 285 M CA 1.011 55.661 55.300 -1.084 0.000 1.096 285 M CB -0.169 31.832 32.600 -0.998 0.000 1.408 285 M HN 0.501 nan 8.290 nan 0.000 0.463 286 Q N -0.093 119.486 119.800 -0.369 0.000 2.432 286 Q HA 0.046 4.385 4.340 -0.001 0.000 0.205 286 Q C 0.133 176.064 176.000 -0.115 0.000 0.945 286 Q CA 0.377 56.026 55.803 -0.257 0.000 0.924 286 Q CB 0.335 28.898 28.738 -0.291 0.000 1.016 286 Q HN 0.268 nan 8.270 nan 0.000 0.503 287 K N 1.221 121.592 120.400 -0.049 0.000 2.202 287 K HA 0.020 4.340 4.320 -0.001 0.000 0.264 287 K C 0.336 176.980 176.600 0.072 0.000 1.010 287 K CA 0.003 56.309 56.287 0.032 0.000 0.940 287 K CB 0.571 33.124 32.500 0.088 0.000 0.983 287 K HN -0.009 nan 8.250 nan 0.000 0.475 288 D N 1.274 121.711 120.400 0.061 0.000 2.219 288 D HA -0.140 4.499 4.640 -0.001 0.000 0.205 288 D C 0.889 177.245 176.300 0.095 0.000 0.970 288 D CA 1.213 55.253 54.000 0.066 0.000 0.851 288 D CB 0.201 41.027 40.800 0.044 0.000 0.943 288 D HN 0.562 nan 8.370 nan 0.000 0.488 289 D N -0.446 120.019 120.400 0.109 0.000 2.328 289 D HA -0.108 4.531 4.640 -0.001 0.000 0.221 289 D C 0.374 176.754 176.300 0.133 0.000 1.072 289 D CA -0.496 53.564 54.000 0.100 0.000 0.850 289 D CB -0.939 39.908 40.800 0.078 0.000 0.922 289 D HN 0.045 nan 8.370 nan 0.000 0.516 290 F N 1.597 121.577 119.950 0.050 0.000 2.504 290 F HA 0.224 4.750 4.527 -0.001 0.000 0.369 290 F C -0.103 175.750 175.800 0.087 0.000 1.082 290 F CA -0.549 57.495 58.000 0.073 0.000 1.216 290 F CB 0.871 39.900 39.000 0.048 0.000 1.108 290 F HN -0.291 nan 8.300 nan 0.000 0.554 291 V N 6.010 125.600 119.914 -0.540 0.000 2.406 291 V HA 0.212 4.332 4.120 -0.001 0.000 0.272 291 V C 0.083 176.005 176.094 -0.287 0.000 1.043 291 V CA -0.428 61.693 62.300 -0.299 0.000 0.915 291 V CB 1.106 32.805 31.823 -0.206 0.000 0.988 291 V HN 0.805 nan 8.190 nan 0.000 0.466 292 T N 6.965 121.576 114.554 0.094 0.000 2.749 292 T HA 0.535 4.884 4.350 -0.001 0.000 0.287 292 T C 0.056 174.890 174.700 0.223 0.000 0.970 292 T CA -0.312 61.966 62.100 0.297 0.000 0.980 292 T CB 0.726 69.780 68.868 0.310 0.000 0.924 292 T HN 0.341 nan 8.240 nan 0.000 0.456 293 L N 4.450 125.832 121.223 0.265 0.000 2.464 293 L HA 0.277 4.616 4.340 -0.001 0.000 0.264 293 L C -1.745 175.277 176.870 0.253 0.000 1.199 293 L CA -1.992 52.961 54.840 0.188 0.000 0.818 293 L CB -0.172 41.931 42.059 0.074 0.000 1.102 293 L HN 0.358 nan 8.230 nan 0.000 0.473 294 P HA 0.015 nan 4.420 nan 0.000 0.264 294 P C -1.071 176.415 177.300 0.309 0.000 1.183 294 P CA 0.313 63.557 63.100 0.241 0.000 0.763 294 P CB 0.331 32.154 31.700 0.204 0.000 0.807 295 K N 2.574 123.111 120.400 0.229 0.000 2.098 295 K HA 0.404 4.724 4.320 -0.001 0.000 0.261 295 K C 0.337 177.068 176.600 0.218 0.000 0.987 295 K CA -0.865 55.559 56.287 0.228 0.000 0.916 295 K CB 0.833 33.427 32.500 0.157 0.000 1.039 295 K HN 0.373 nan 8.250 nan 0.000 0.455 296 I N 1.723 122.435 120.570 0.236 0.000 2.710 296 I HA -0.109 4.060 4.170 -0.001 0.000 0.286 296 I C 0.550 176.777 176.117 0.182 0.000 1.181 296 I CA 0.144 61.580 61.300 0.226 0.000 1.430 296 I CB 0.214 38.357 38.000 0.239 0.000 1.367 296 I HN 0.519 nan 8.210 nan 0.000 0.577 297 D N 6.553 127.069 120.400 0.193 0.000 2.416 297 D HA 0.046 4.685 4.640 -0.001 0.000 0.240 297 D C 0.983 177.392 176.300 0.180 0.000 1.250 297 D CA -0.213 53.887 54.000 0.167 0.000 0.967 297 D CB 0.899 41.796 40.800 0.161 0.000 1.059 297 D HN 0.371 nan 8.370 nan 0.000 0.512 298 V N 0.821 120.811 119.914 0.126 0.000 3.380 298 V HA 0.008 4.128 4.120 -0.001 0.000 0.268 298 V C 0.961 177.097 176.094 0.070 0.000 1.168 298 V CA 0.776 63.133 62.300 0.094 0.000 1.156 298 V CB -0.034 31.823 31.823 0.058 0.000 0.785 298 V HN 0.224 nan 8.190 nan 0.000 0.487 299 D N 1.029 121.477 120.400 0.080 0.000 2.349 299 D HA 0.075 4.714 4.640 -0.001 0.000 0.215 299 D C 0.191 176.539 176.300 0.080 0.000 1.016 299 D CA 0.472 54.510 54.000 0.062 0.000 0.870 299 D CB 0.002 40.835 40.800 0.054 0.000 0.917 299 D HN 0.542 nan 8.370 nan 0.000 0.524 300 N N 0.843 119.623 118.700 0.133 0.000 2.727 300 N HA 0.201 4.941 4.740 -0.001 0.000 0.252 300 N C 0.061 175.740 175.510 0.281 0.000 1.283 300 N CA -0.042 53.116 53.050 0.181 0.000 0.782 300 N CB 1.531 40.136 38.487 0.196 0.000 1.199 300 N HN 0.020 nan 8.380 nan 0.000 0.520 301 L N 0.042 121.317 121.223 0.085 0.000 3.014 301 L HA 0.233 4.573 4.340 -0.001 0.000 0.263 301 L C 0.816 177.488 176.870 -0.329 0.000 1.207 301 L CA -0.129 54.585 54.840 -0.211 0.000 1.017 301 L CB 0.434 42.343 42.059 -0.250 0.000 1.360 301 L HN 0.032 nan 8.230 nan 0.000 0.560 302 D N 1.065 121.434 120.400 -0.052 0.000 2.221 302 D HA -0.203 4.437 4.640 -0.001 0.000 0.204 302 D C 1.936 178.218 176.300 -0.030 0.000 0.982 302 D CA 1.049 55.029 54.000 -0.033 0.000 0.857 302 D CB -0.013 40.822 40.800 0.059 0.000 0.934 302 D HN 0.557 nan 8.370 nan 0.000 0.475 303 W N 1.692 122.982 121.300 -0.018 0.000 2.632 303 W HA -0.046 4.613 4.660 -0.001 0.000 0.248 303 W C 0.974 177.466 176.519 -0.044 0.000 1.259 303 W CA 1.368 58.693 57.345 -0.034 0.000 1.288 303 W CB -1.510 27.909 29.460 -0.069 0.000 1.136 303 W HN -0.006 nan 8.180 nan 0.000 0.640 304 T N -1.585 112.565 114.554 -0.673 0.000 3.086 304 T HA 0.223 4.573 4.350 -0.001 0.000 0.250 304 T C 0.505 175.119 174.700 -0.143 0.000 1.074 304 T CA -0.080 61.706 62.100 -0.522 0.000 0.988 304 T CB -0.368 68.027 68.868 -0.788 0.000 0.988 304 T HN -0.138 nan 8.240 nan 0.000 0.530 305 V N 2.384 122.225 119.914 -0.122 0.000 2.461 305 V HA 0.333 4.452 4.120 -0.001 0.000 0.275 305 V C 1.406 177.478 176.094 -0.036 0.000 1.047 305 V CA -0.443 61.824 62.300 -0.055 0.000 0.955 305 V CB 0.833 32.618 31.823 -0.063 0.000 0.988 305 V HN 0.379 nan 8.190 nan 0.000 0.471 306 I N 2.773 123.316 120.570 -0.045 0.000 2.339 306 I HA -0.053 4.117 4.170 -0.001 0.000 0.245 306 I C 1.640 177.712 176.117 -0.075 0.000 1.096 306 I CA 0.544 61.790 61.300 -0.090 0.000 1.408 306 I CB -0.111 37.799 38.000 -0.150 0.000 1.092 306 I HN 0.768 nan 8.210 nan 0.000 0.423 307 Q N 3.035 122.794 119.800 -0.068 0.000 2.443 307 Q HA 0.051 4.390 4.340 -0.001 0.000 0.232 307 Q C 0.156 176.128 176.000 -0.048 0.000 1.026 307 Q CA -0.419 55.344 55.803 -0.066 0.000 0.924 307 Q CB 0.603 29.297 28.738 -0.073 0.000 1.256 307 Q HN 0.252 nan 8.270 nan 0.000 0.519 308 R N 1.393 121.866 120.500 -0.044 0.000 2.619 308 R HA -0.102 4.237 4.340 -0.001 0.000 0.268 308 R C -0.153 176.134 176.300 -0.022 0.000 0.990 308 R CA 0.061 56.144 56.100 -0.028 0.000 1.092 308 R CB 0.298 30.583 30.300 -0.026 0.000 0.935 308 R HN 0.673 nan 8.270 nan 0.000 0.415 309 N N 2.632 121.325 118.700 -0.012 0.000 2.408 309 N HA -0.011 4.728 4.740 -0.001 0.000 0.257 309 N C -0.399 175.107 175.510 -0.006 0.000 1.064 309 N CA -0.189 52.857 53.050 -0.006 0.000 0.952 309 N CB 1.157 39.647 38.487 0.004 0.000 1.093 309 N HN 0.503 nan 8.380 nan 0.000 0.490 310 D N 1.009 121.403 120.400 -0.009 0.000 2.311 310 D HA -0.139 4.501 4.640 -0.001 0.000 0.212 310 D C 1.198 177.496 176.300 -0.003 0.000 0.972 310 D CA 1.139 55.134 54.000 -0.009 0.000 0.887 310 D CB 0.050 40.842 40.800 -0.012 0.000 0.915 310 D HN 0.651 nan 8.370 nan 0.000 0.497 311 S N -0.916 114.785 115.700 0.000 0.000 2.556 311 S HA 0.387 4.856 4.470 -0.001 0.000 0.216 311 S C 0.885 175.489 174.600 0.006 0.000 0.970 311 S CA -0.425 57.777 58.200 0.003 0.000 0.912 311 S CB 0.260 63.463 63.200 0.005 0.000 0.790 311 S HN 0.168 nan 8.310 nan 0.000 0.504 312 A N 3.005 125.828 122.820 0.006 0.000 2.401 312 A HA 0.633 4.953 4.320 -0.001 0.000 0.259 312 A C -2.197 175.392 177.584 0.009 0.000 1.103 312 A CA -1.320 50.722 52.037 0.009 0.000 0.789 312 A CB -0.414 18.591 19.000 0.009 0.000 1.035 312 A HN 0.337 nan 8.150 nan 0.000 0.491 313 P HA 0.304 nan 4.420 nan 0.000 0.272 313 P C -0.602 176.709 177.300 0.018 0.000 1.230 313 P CA -0.107 63.001 63.100 0.014 0.000 0.788 313 P CB 0.347 32.056 31.700 0.015 0.000 0.949 314 I N 1.177 121.760 120.570 0.022 0.000 2.472 314 I HA 0.229 4.398 4.170 -0.001 0.000 0.290 314 I C 1.207 177.347 176.117 0.039 0.000 1.016 314 I CA -0.585 60.730 61.300 0.025 0.000 1.348 314 I CB 0.587 38.601 38.000 0.023 0.000 1.417 314 I HN 0.158 nan 8.210 nan 0.000 0.521 315 R N 3.500 124.023 120.500 0.038 0.000 2.694 315 R HA 0.075 4.415 4.340 -0.001 0.000 0.268 315 R C 0.358 176.712 176.300 0.091 0.000 1.061 315 R CA -0.507 55.629 56.100 0.059 0.000 1.133 315 R CB 0.173 30.500 30.300 0.044 0.000 1.020 315 R HN 0.614 nan 8.270 nan 0.000 0.475 316 H N 3.653 122.725 119.070 0.003 0.000 3.192 316 H HA -0.115 4.441 4.556 -0.001 0.000 0.295 316 H C 0.683 176.013 175.328 0.004 0.000 0.943 316 H CA 0.770 56.820 56.048 0.003 0.000 1.416 316 H CB 0.278 30.042 29.762 0.003 0.000 1.434 316 H HN 0.581 nan 8.280 nan 0.000 0.565 317 L N 3.499 124.565 121.223 -0.262 0.000 4.937 317 L HA -0.279 4.061 4.340 -0.001 0.000 0.422 317 L C 1.060 177.866 176.870 -0.107 0.000 1.059 317 L CA 0.860 55.545 54.840 -0.259 0.000 1.111 317 L CB -1.282 40.547 42.059 -0.385 0.000 2.033 317 L HN 0.578 nan 8.230 nan 0.000 0.708 318 D N 1.237 121.607 120.400 -0.051 0.000 2.363 318 D HA -0.045 4.594 4.640 -0.001 0.000 0.226 318 D C 1.386 177.677 176.300 -0.015 0.000 1.020 318 D CA 1.178 55.164 54.000 -0.022 0.000 0.892 318 D CB 0.110 40.909 40.800 -0.001 0.000 0.900 318 D HN 0.665 nan 8.370 nan 0.000 0.531 319 D N -0.866 119.522 120.400 -0.019 0.000 2.336 319 D HA -0.046 4.593 4.640 -0.001 0.000 0.229 319 D C 0.137 176.427 176.300 -0.017 0.000 1.061 319 D CA 0.046 54.039 54.000 -0.011 0.000 0.875 319 D CB -0.227 40.571 40.800 -0.003 0.000 0.904 319 D HN 0.089 nan 8.370 nan 0.000 0.525 320 R N 0.343 120.826 120.500 -0.028 0.000 2.589 320 R HA 0.393 4.732 4.340 -0.001 0.000 0.293 320 R C -0.051 176.238 176.300 -0.018 0.000 0.963 320 R CA -0.871 55.214 56.100 -0.025 0.000 0.905 320 R CB 1.859 32.136 30.300 -0.039 0.000 1.144 320 R HN -0.106 nan 8.270 nan 0.000 0.459 321 K N 1.483 121.876 120.400 -0.012 0.000 2.489 321 K HA -0.001 4.318 4.320 -0.001 0.000 0.278 321 K C 0.434 177.023 176.600 -0.019 0.000 1.000 321 K CA 0.152 56.432 56.287 -0.011 0.000 1.012 321 K CB 0.516 33.010 32.500 -0.009 0.000 0.903 321 K HN 0.658 nan 8.250 nan 0.000 0.485 322 S N 3.106 118.793 115.700 -0.021 0.000 2.600 322 S HA 0.241 4.710 4.470 -0.001 0.000 0.265 322 S C -2.104 172.476 174.600 -0.034 0.000 1.325 322 S CA -1.388 56.796 58.200 -0.026 0.000 1.002 322 S CB 0.091 63.276 63.200 -0.025 0.000 0.921 322 S HN 0.332 nan 8.310 nan 0.000 0.554 323 P HA 0.302 nan 4.420 nan 0.000 0.269 323 P C -0.510 176.763 177.300 -0.045 0.000 1.217 323 P CA -0.258 62.824 63.100 -0.029 0.000 0.783 323 P CB 0.349 32.038 31.700 -0.017 0.000 0.898 324 R N 1.234 121.709 120.500 -0.040 0.000 2.621 324 R HA 0.447 4.787 4.340 -0.001 0.000 0.292 324 R C -0.865 175.411 176.300 -0.041 0.000 0.969 324 R CA -1.163 54.904 56.100 -0.054 0.000 0.887 324 R CB 1.545 31.814 30.300 -0.052 0.000 1.180 324 R HN 0.375 nan 8.270 nan 0.000 0.450 325 L N 3.676 124.869 121.223 -0.051 0.000 2.319 325 L HA 0.292 4.632 4.340 -0.001 0.000 0.280 325 L C -0.245 176.610 176.870 -0.025 0.000 1.099 325 L CA -0.056 54.766 54.840 -0.029 0.000 0.828 325 L CB 1.111 43.150 42.059 -0.033 0.000 1.150 325 L HN 0.449 nan 8.230 nan 0.000 0.442 326 V N 1.405 121.312 119.914 -0.013 0.000 3.074 326 V HA 0.651 4.771 4.120 -0.001 0.000 0.314 326 V C -0.577 175.514 176.094 -0.004 0.000 1.117 326 V CA -0.840 61.452 62.300 -0.013 0.000 1.014 326 V CB 2.030 33.839 31.823 -0.023 0.000 1.057 326 V HN 0.749 nan 8.190 nan 0.000 0.438 327 E N 2.561 122.759 120.200 -0.004 0.000 2.173 327 E HA 0.394 4.743 4.350 -0.001 0.000 0.249 327 E C -2.128 174.455 176.600 -0.028 0.000 0.923 327 E CA -1.632 54.767 56.400 -0.002 0.000 0.754 327 E CB 1.849 31.561 29.700 0.019 0.000 1.177 327 E HN 0.650 nan 8.360 nan 0.000 0.430 328 P HA -0.143 nan 4.420 nan 0.000 0.220 328 P C 0.137 177.400 177.300 -0.062 0.000 1.148 328 P CA 1.115 64.174 63.100 -0.068 0.000 0.803 328 P CB 0.333 31.966 31.700 -0.112 0.000 0.782 329 E N -1.000 119.167 120.200 -0.055 0.000 2.734 329 E HA 0.378 4.727 4.350 -0.001 0.000 0.211 329 E C 0.605 177.186 176.600 -0.032 0.000 0.991 329 E CA -0.156 56.217 56.400 -0.046 0.000 1.065 329 E CB 0.403 30.072 29.700 -0.053 0.000 1.047 329 E HN 0.093 nan 8.360 nan 0.000 0.470 330 G N 2.220 111.003 108.800 -0.029 0.000 2.698 330 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.225 330 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.225 330 G C -0.522 174.363 174.900 -0.026 0.000 1.345 330 G CA -0.585 44.496 45.100 -0.032 0.000 0.871 330 G HN 0.266 nan 8.290 nan 0.000 0.540 331 R N 0.392 120.849 120.500 -0.071 0.000 2.438 331 R HA 0.460 4.799 4.340 -0.001 0.000 0.287 331 R C 1.211 177.463 176.300 -0.080 0.000 1.077 331 R CA -0.169 55.853 56.100 -0.129 0.000 1.034 331 R CB 0.211 30.304 30.300 -0.345 0.000 0.993 331 R HN 0.588 nan 8.270 nan 0.000 0.459 332 R N 4.205 124.742 120.500 0.061 0.000 2.472 332 R HA 0.146 4.486 4.340 -0.001 0.000 0.279 332 R C -0.567 175.983 176.300 0.416 0.000 0.953 332 R CA -0.207 56.019 56.100 0.209 0.000 1.088 332 R CB 0.453 30.921 30.300 0.280 0.000 1.197 332 R HN 0.581 nan 8.270 nan 0.000 0.536 333 W N 0.132 121.625 121.300 0.322 0.000 2.719 333 W HA 0.814 5.474 4.660 -0.001 0.000 0.352 333 W C -1.141 175.539 176.519 0.268 0.000 1.085 333 W CA -1.460 56.096 57.345 0.350 0.000 1.187 333 W CB 0.750 30.391 29.460 0.303 0.000 1.417 333 W HN -0.228 nan 8.180 nan 0.000 0.557 334 A N 2.382 125.490 122.820 0.481 0.000 2.430 334 A HA 0.967 5.286 4.320 -0.001 0.000 0.300 334 A C -2.020 175.827 177.584 0.438 0.000 1.124 334 A CA -0.867 51.346 52.037 0.292 0.000 0.766 334 A CB 2.051 21.124 19.000 0.122 0.000 1.328 334 A HN 1.036 nan 8.150 nan 0.000 0.424 335 Y N -0.883 119.468 120.300 0.085 0.000 2.624 335 Y HA 0.660 5.210 4.550 -0.001 0.000 0.334 335 Y C -1.466 174.392 175.900 -0.070 0.000 1.155 335 Y CA -1.226 56.806 58.100 -0.113 0.000 1.046 335 Y CB 1.337 39.688 38.460 -0.180 0.000 1.316 335 Y HN 0.517 nan 8.280 nan 0.000 0.457 336 D N 1.414 121.752 120.400 -0.104 0.000 2.373 336 D HA 0.282 4.922 4.640 -0.001 0.000 0.227 336 D C 0.869 177.224 176.300 0.091 0.000 1.091 336 D CA 0.197 54.157 54.000 -0.067 0.000 0.840 336 D CB 1.732 42.552 40.800 0.033 0.000 1.060 336 D HN 0.973 nan 8.370 nan 0.000 0.502 337 G N 3.404 112.284 108.800 0.133 0.000 2.422 337 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 337 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 337 G C 1.176 176.234 174.900 0.263 0.000 1.140 337 G CA 0.338 45.676 45.100 0.395 0.000 0.775 337 G HN 0.448 nan 8.290 nan 0.000 0.545 338 E N 0.716 121.016 120.200 0.167 0.000 2.208 338 E HA -0.025 4.325 4.350 -0.001 0.000 0.193 338 E C 1.885 178.592 176.600 0.179 0.000 0.988 338 E CA 0.652 57.144 56.400 0.154 0.000 0.828 338 E CB 0.064 29.827 29.700 0.105 0.000 0.763 338 E HN 0.420 nan 8.360 nan 0.000 0.478 339 E N 0.271 120.586 120.200 0.191 0.000 2.498 339 E HA 0.055 4.405 4.350 -0.001 0.000 0.203 339 E C -0.397 176.400 176.600 0.328 0.000 1.013 339 E CA -0.146 56.412 56.400 0.264 0.000 0.927 339 E CB 0.375 30.247 29.700 0.285 0.000 1.012 339 E HN 0.251 nan 8.360 nan 0.000 0.482 340 E N 0.581 120.918 120.200 0.228 0.000 2.228 340 E HA -0.261 4.089 4.350 -0.001 0.000 0.213 340 E C -0.856 175.815 176.600 0.117 0.000 1.282 340 E CA 0.398 56.895 56.400 0.161 0.000 0.707 340 E CB -1.598 28.319 29.700 0.363 0.000 1.150 340 E HN 0.284 nan 8.360 nan 0.000 0.362 341 Y N 0.235 120.358 120.300 -0.294 0.000 2.377 341 Y HA 0.561 5.110 4.550 -0.001 0.000 0.339 341 Y C -0.747 174.745 175.900 -0.679 0.000 1.011 341 Y CA -1.027 56.805 58.100 -0.446 0.000 1.093 341 Y CB 0.878 39.037 38.460 -0.502 0.000 1.201 341 Y HN -0.022 nan 8.280 nan 0.000 0.455 342 F N 2.964 122.197 119.950 -1.196 0.000 2.563 342 F HA 0.594 5.121 4.527 -0.001 0.000 0.316 342 F C -0.239 174.939 175.800 -1.037 0.000 1.076 342 F CA -0.775 56.661 58.000 -0.941 0.000 0.921 342 F CB 2.309 40.592 39.000 -1.194 0.000 1.209 342 F HN 0.397 nan 8.300 nan 0.000 0.462 343 S N 2.440 118.016 115.700 -0.208 0.000 2.571 343 S HA 0.652 5.122 4.470 -0.001 0.000 0.284 343 S C -2.205 172.566 174.600 0.286 0.000 1.128 343 S CA -0.361 57.824 58.200 -0.025 0.000 0.970 343 S CB 0.809 64.045 63.200 0.059 0.000 1.039 343 S HN 0.655 nan 8.310 nan 0.000 0.485 344 W N 7.145 128.512 121.300 0.111 0.000 3.423 344 W HA 0.408 5.067 4.660 -0.001 0.000 0.330 344 W C -0.627 176.069 176.519 0.295 0.000 1.102 344 W CA -0.578 56.888 57.345 0.201 0.000 1.261 344 W CB 0.871 30.419 29.460 0.147 0.000 1.283 344 W HN 0.631 nan 8.180 nan 0.000 0.447 345 M N 6.698 126.051 119.600 -0.412 0.000 2.175 345 M HA -0.300 4.179 4.480 -0.001 0.000 0.192 345 M C 0.269 176.494 176.300 -0.126 0.000 0.473 345 M CA 2.049 57.055 55.300 -0.489 0.000 0.414 345 M CB -2.064 29.819 32.600 -1.194 0.000 1.069 345 M HN 0.741 nan 8.290 nan 0.000 0.933 346 D N -3.692 116.670 120.400 -0.062 0.000 2.911 346 D HA -0.209 4.431 4.640 -0.001 0.000 0.199 346 D C -0.243 176.050 176.300 -0.012 0.000 1.041 346 D CA 1.722 55.635 54.000 -0.145 0.000 1.013 346 D CB -1.250 39.282 40.800 -0.447 0.000 1.093 346 D HN 0.730 nan 8.370 nan 0.000 0.431 347 W N 0.948 122.378 121.300 0.216 0.000 2.375 347 W HA 0.619 5.278 4.660 -0.001 0.000 0.336 347 W C 1.092 177.681 176.519 0.117 0.000 1.160 347 W CA 0.230 57.772 57.345 0.329 0.000 1.266 347 W CB 1.561 31.278 29.460 0.428 0.000 1.195 347 W HN 0.048 nan 8.180 nan 0.000 0.599 348 G N 1.592 110.626 108.800 0.391 0.000 2.659 348 G HA2 0.823 4.782 3.960 -0.001 0.000 0.296 348 G HA3 0.823 4.782 3.960 -0.001 0.000 0.296 348 G C -1.902 173.066 174.900 0.113 0.000 1.369 348 G CA -0.825 44.261 45.100 -0.025 0.000 0.937 348 G HN 0.553 nan 8.290 nan 0.000 0.485 349 F N -1.199 118.606 119.950 -0.242 0.000 2.770 349 F HA 0.684 5.210 4.527 -0.001 0.000 0.313 349 F C -2.120 173.662 175.800 -0.029 0.000 1.154 349 F CA -1.975 56.041 58.000 0.026 0.000 0.923 349 F CB 0.952 40.015 39.000 0.106 0.000 1.301 349 F HN 0.462 nan 8.300 nan 0.000 0.449 350 Y N 0.502 121.099 120.300 0.496 0.000 2.457 350 Y HA 0.673 5.223 4.550 -0.001 0.000 0.333 350 Y C 0.593 176.724 175.900 0.387 0.000 1.119 350 Y CA -0.583 57.800 58.100 0.472 0.000 1.143 350 Y CB 2.072 40.835 38.460 0.506 0.000 1.230 350 Y HN 0.814 nan 8.280 nan 0.000 0.469 351 T N -1.620 113.200 114.554 0.444 0.000 2.940 351 T HA 0.754 5.104 4.350 -0.001 0.000 0.288 351 T C -0.444 174.338 174.700 0.137 0.000 1.033 351 T CA -0.809 61.304 62.100 0.022 0.000 1.033 351 T CB 1.820 70.523 68.868 -0.274 0.000 1.079 351 T HN 0.565 nan 8.240 nan 0.000 0.496 352 S N 0.555 116.250 115.700 -0.007 0.000 2.588 352 S HA 0.648 5.118 4.470 -0.001 0.000 0.275 352 S C -2.210 172.423 174.600 0.055 0.000 1.130 352 S CA -0.854 57.427 58.200 0.134 0.000 0.855 352 S CB 1.575 64.917 63.200 0.236 0.000 1.116 352 S HN 0.814 nan 8.310 nan 0.000 0.472 353 W N 3.437 124.684 121.300 -0.089 0.000 2.883 353 W HA 0.599 5.258 4.660 -0.001 0.000 0.335 353 W C -1.026 175.419 176.519 -0.124 0.000 1.083 353 W CA -0.531 56.715 57.345 -0.166 0.000 1.233 353 W CB 1.962 31.357 29.460 -0.109 0.000 1.412 353 W HN 0.879 nan 8.180 nan 0.000 0.490 354 S N 4.581 119.952 115.700 -0.549 0.000 2.570 354 S HA 0.368 4.838 4.470 -0.001 0.000 0.286 354 S C 0.726 175.053 174.600 -0.454 0.000 1.099 354 S CA -0.771 57.224 58.200 -0.342 0.000 0.913 354 S CB 2.638 65.655 63.200 -0.305 0.000 1.085 354 S HN 0.678 nan 8.310 nan 0.000 0.480 355 R N 0.868 121.220 120.500 -0.246 0.000 2.096 355 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 355 R C 0.444 176.551 176.300 -0.323 0.000 1.127 355 R CA 2.132 58.089 56.100 -0.238 0.000 0.968 355 R CB -0.968 29.172 30.300 -0.267 0.000 0.861 355 R HN 0.791 nan 8.270 nan 0.000 0.440 356 D N -0.345 119.820 120.400 -0.391 0.000 2.097 356 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 356 D C 1.674 177.796 176.300 -0.298 0.000 0.984 356 D CA 2.313 56.102 54.000 -0.351 0.000 0.826 356 D CB -0.070 40.512 40.800 -0.364 0.000 0.973 356 D HN 0.511 nan 8.370 nan 0.000 0.460 357 T N -3.835 110.483 114.554 -0.393 0.000 2.975 357 T HA 0.486 4.835 4.350 -0.001 0.000 0.257 357 T C 1.214 175.556 174.700 -0.596 0.000 1.003 357 T CA 0.577 62.433 62.100 -0.406 0.000 0.932 357 T CB 1.159 69.802 68.868 -0.376 0.000 1.087 357 T HN 0.269 nan 8.240 nan 0.000 0.512 358 G N 1.959 110.147 108.800 -1.021 0.000 2.509 358 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.256 358 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.256 358 G C -0.340 173.422 174.900 -1.896 0.000 1.152 358 G CA -0.220 43.633 45.100 -2.078 0.000 0.951 358 G HN 0.733 nan 8.290 nan 0.000 0.559 359 I N 1.265 120.846 120.570 -1.647 0.000 2.581 359 I HA 0.555 4.725 4.170 -0.001 0.000 0.288 359 I C 0.297 175.979 176.117 -0.725 0.000 1.047 359 I CA -0.105 60.623 61.300 -0.953 0.000 1.374 359 I CB 1.253 38.763 38.000 -0.816 0.000 1.423 359 I HN 0.582 nan 8.210 nan 0.000 0.549 360 S N 5.241 120.520 115.700 -0.702 0.000 2.599 360 S HA 0.647 5.117 4.470 -0.001 0.000 0.287 360 S C -1.198 172.894 174.600 -0.847 0.000 1.105 360 S CA -0.403 57.434 58.200 -0.605 0.000 0.899 360 S CB 1.590 64.576 63.200 -0.357 0.000 1.100 360 S HN 0.349 nan 8.310 nan 0.000 0.482 361 F N 1.329 120.919 119.950 -0.601 0.000 2.520 361 F HA 0.610 5.136 4.527 -0.001 0.000 0.322 361 F C -0.753 174.599 175.800 -0.746 0.000 1.103 361 F CA -0.584 57.114 58.000 -0.503 0.000 0.926 361 F CB 1.206 39.881 39.000 -0.542 0.000 1.154 361 F HN 0.454 nan 8.300 nan 0.000 0.453 362 Y N 0.162 120.287 120.300 -0.291 0.000 2.499 362 Y HA 0.356 4.906 4.550 -0.001 0.000 0.347 362 Y C -0.057 175.658 175.900 -0.307 0.000 0.987 362 Y CA -1.449 56.214 58.100 -0.729 0.000 1.044 362 Y CB 1.684 38.972 38.460 -1.952 0.000 1.245 362 Y HN 0.662 nan 8.280 nan 0.000 0.461 363 D N 1.530 121.846 120.400 -0.139 0.000 2.705 363 D HA -0.201 4.438 4.640 -0.001 0.000 0.240 363 D C -1.019 175.492 176.300 0.351 0.000 1.137 363 D CA 0.517 54.643 54.000 0.210 0.000 0.677 363 D CB -0.775 40.288 40.800 0.437 0.000 1.049 363 D HN 0.477 nan 8.370 nan 0.000 0.427 364 I N 1.190 121.918 120.570 0.263 0.000 2.436 364 I HA 0.133 4.303 4.170 -0.001 0.000 0.289 364 I C 1.251 177.597 176.117 0.382 0.000 1.083 364 I CA 0.225 61.752 61.300 0.379 0.000 1.372 364 I CB 0.575 38.748 38.000 0.288 0.000 1.408 364 I HN 0.219 nan 8.210 nan 0.000 0.516 365 T N 3.455 118.277 114.554 0.447 0.000 2.912 365 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 365 T C -0.817 174.104 174.700 0.368 0.000 1.030 365 T CA -0.735 61.577 62.100 0.353 0.000 1.020 365 T CB 2.176 71.224 68.868 0.299 0.000 1.056 365 T HN 0.334 nan 8.240 nan 0.000 0.480 366 F N 1.702 121.655 119.950 0.004 0.000 2.547 366 F HA 0.506 5.032 4.527 -0.001 0.000 0.316 366 F C 0.412 176.206 175.800 -0.009 0.000 1.121 366 F CA -0.941 56.909 58.000 -0.251 0.000 0.911 366 F CB 1.471 40.083 39.000 -0.647 0.000 1.179 366 F HN 0.852 nan 8.300 nan 0.000 0.443 367 K N 4.639 124.594 120.400 -0.741 0.000 3.071 367 K HA -0.226 4.094 4.320 -0.001 0.000 0.262 367 K C 0.788 177.316 176.600 -0.120 0.000 0.977 367 K CA 0.914 56.913 56.287 -0.479 0.000 0.721 367 K CB -1.590 30.556 32.500 -0.591 0.000 1.293 367 K HN 1.308 nan 8.250 nan 0.000 0.475 368 G N -0.374 108.407 108.800 -0.033 0.000 2.179 368 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.260 368 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.260 368 G C -0.231 174.733 174.900 0.107 0.000 0.977 368 G CA 0.720 45.849 45.100 0.049 0.000 0.641 368 G HN 0.500 nan 8.290 nan 0.000 0.533 369 E N -0.145 120.147 120.200 0.152 0.000 2.199 369 E HA 0.444 4.793 4.350 -0.001 0.000 0.269 369 E C 0.261 176.995 176.600 0.223 0.000 0.899 369 E CA -0.982 55.535 56.400 0.195 0.000 0.772 369 E CB 1.602 31.450 29.700 0.246 0.000 1.155 369 E HN 0.325 nan 8.360 nan 0.000 0.408 370 R N 3.451 124.075 120.500 0.207 0.000 2.442 370 R HA 0.107 4.446 4.340 -0.001 0.000 0.291 370 R C 0.818 177.211 176.300 0.155 0.000 1.069 370 R CA 0.257 56.481 56.100 0.206 0.000 1.022 370 R CB 0.298 30.727 30.300 0.216 0.000 0.976 370 R HN 0.722 nan 8.270 nan 0.000 0.443 371 I N 0.817 121.441 120.570 0.089 0.000 4.032 371 I HA 0.250 4.420 4.170 -0.001 0.000 0.313 371 I C -0.647 175.411 176.117 -0.098 0.000 1.272 371 I CA -0.325 60.917 61.300 -0.097 0.000 1.307 371 I CB 0.975 38.733 38.000 -0.403 0.000 1.155 371 I HN 0.150 nan 8.210 nan 0.000 0.431 372 V N 1.162 121.078 119.914 0.003 0.000 2.569 372 V HA 0.186 4.305 4.120 -0.001 0.000 0.301 372 V C 0.132 176.258 176.094 0.055 0.000 1.044 372 V CA -0.634 61.663 62.300 -0.006 0.000 0.874 372 V CB 1.588 33.374 31.823 -0.061 0.000 1.002 372 V HN 0.279 nan 8.190 nan 0.000 0.424 373 Y N 3.917 124.206 120.300 -0.019 0.000 2.184 373 Y HA 0.117 4.667 4.550 -0.001 0.000 0.290 373 Y C 1.016 176.878 175.900 -0.062 0.000 1.129 373 Y CA 1.913 60.024 58.100 0.017 0.000 1.144 373 Y CB 0.515 38.989 38.460 0.024 0.000 0.995 373 Y HN 0.658 nan 8.280 nan 0.000 0.513 374 E N 0.480 120.526 120.200 -0.258 0.000 2.278 374 E HA 0.396 4.745 4.350 -0.001 0.000 0.272 374 E C -2.330 174.051 176.600 -0.365 0.000 0.890 374 E CA -0.928 55.127 56.400 -0.574 0.000 0.770 374 E CB 1.499 30.987 29.700 -0.353 0.000 1.212 374 E HN 0.149 nan 8.360 nan 0.000 0.415 375 L N 4.094 125.072 121.223 -0.408 0.000 2.372 375 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 375 L C -1.688 175.081 176.870 -0.167 0.000 0.989 375 L CA -0.215 54.510 54.840 -0.191 0.000 0.841 375 L CB 1.587 43.557 42.059 -0.148 0.000 1.225 375 L HN 0.528 nan 8.230 nan 0.000 0.414 376 S N 4.465 120.109 115.700 -0.093 0.000 2.668 376 S HA 0.498 4.968 4.470 -0.001 0.000 0.277 376 S C -0.792 173.767 174.600 -0.067 0.000 1.170 376 S CA -0.828 57.302 58.200 -0.117 0.000 0.994 376 S CB 1.204 64.271 63.200 -0.222 0.000 1.051 376 S HN 0.751 nan 8.310 nan 0.000 0.484 377 L N 3.102 124.258 121.223 -0.111 0.000 2.578 377 L HA 0.214 4.553 4.340 -0.001 0.000 0.279 377 L C 1.104 177.762 176.870 -0.354 0.000 1.227 377 L CA 1.087 55.666 54.840 -0.434 0.000 0.900 377 L CB 0.183 41.940 42.059 -0.504 0.000 1.144 377 L HN 0.850 nan 8.230 nan 0.000 0.496 378 Q N 2.423 121.988 119.800 -0.391 0.000 2.442 378 Q HA 0.238 4.578 4.340 -0.001 0.000 0.228 378 Q C -0.108 175.688 176.000 -0.341 0.000 0.902 378 Q CA 0.362 55.981 55.803 -0.307 0.000 0.933 378 Q CB 0.808 29.388 28.738 -0.264 0.000 1.071 378 Q HN 0.754 nan 8.270 nan 0.000 0.562 379 E N -0.592 119.359 120.200 -0.415 0.000 2.388 379 E HA 0.488 4.837 4.350 -0.001 0.000 0.281 379 E C -2.105 174.396 176.600 -0.165 0.000 1.046 379 E CA -0.323 55.923 56.400 -0.257 0.000 0.825 379 E CB 0.964 30.509 29.700 -0.259 0.000 1.243 379 E HN -0.056 nan 8.360 nan 0.000 0.438 380 L N 3.246 124.491 121.223 0.036 0.000 2.436 380 L HA 0.653 4.992 4.340 -0.001 0.000 0.268 380 L C -0.586 176.454 176.870 0.284 0.000 0.974 380 L CA -0.607 54.310 54.840 0.128 0.000 0.826 380 L CB 1.684 43.719 42.059 -0.040 0.000 1.291 380 L HN 0.630 nan 8.230 nan 0.000 0.406 381 I N -0.132 120.668 120.570 0.383 0.000 2.693 381 I HA 1.039 5.209 4.170 -0.001 0.000 0.303 381 I C -0.455 175.850 176.117 0.313 0.000 1.025 381 I CA -0.899 60.646 61.300 0.408 0.000 1.086 381 I CB 2.320 40.600 38.000 0.466 0.000 1.268 381 I HN 0.612 nan 8.210 nan 0.000 0.440 382 A N 3.752 126.761 122.820 0.316 0.000 2.375 382 A HA 0.559 4.879 4.320 -0.001 0.000 0.291 382 A C -0.876 176.690 177.584 -0.029 0.000 1.160 382 A CA -0.419 51.694 52.037 0.127 0.000 0.747 382 A CB 1.028 20.252 19.000 0.373 0.000 1.170 382 A HN 0.843 nan 8.150 nan 0.000 0.458 383 E N 2.653 122.622 120.200 -0.385 0.000 2.155 383 E HA 0.532 4.881 4.350 -0.001 0.000 0.264 383 E C -1.666 174.638 176.600 -0.493 0.000 0.886 383 E CA -0.381 55.663 56.400 -0.592 0.000 0.752 383 E CB 0.932 29.973 29.700 -1.098 0.000 1.133 383 E HN 0.613 nan 8.360 nan 0.000 0.414 384 Y N 1.216 121.327 120.300 -0.315 0.000 2.352 384 Y HA 0.555 5.105 4.550 -0.001 0.000 0.326 384 Y C 0.850 176.616 175.900 -0.223 0.000 1.166 384 Y CA -0.293 57.688 58.100 -0.197 0.000 1.182 384 Y CB 2.132 40.500 38.460 -0.153 0.000 1.216 384 Y HN 0.559 nan 8.280 nan 0.000 0.474 385 G N 0.745 109.529 108.800 -0.027 0.000 2.461 385 G HA2 0.539 4.499 3.960 -0.001 0.000 0.323 385 G HA3 0.539 4.499 3.960 -0.001 0.000 0.323 385 G C -1.133 173.787 174.900 0.033 0.000 1.229 385 G CA -0.496 44.604 45.100 0.000 0.000 0.941 385 G HN 0.580 nan 8.290 nan 0.000 0.477 386 S N -0.044 115.421 115.700 -0.391 0.000 2.587 386 S HA 0.386 4.855 4.470 -0.001 0.000 0.269 386 S C 0.029 173.860 174.600 -1.283 0.000 1.154 386 S CA -0.144 57.680 58.200 -0.628 0.000 0.824 386 S CB 1.633 64.681 63.200 -0.252 0.000 1.118 386 S HN 0.653 nan 8.310 nan 0.000 0.462 387 D N 0.937 120.769 120.400 -0.946 0.000 2.347 387 D HA 0.063 4.703 4.640 -0.001 0.000 0.213 387 D C 0.285 176.330 176.300 -0.425 0.000 0.985 387 D CA 0.377 54.018 54.000 -0.598 0.000 0.879 387 D CB -0.480 40.208 40.800 -0.187 0.000 0.919 387 D HN 0.602 nan 8.370 nan 0.000 0.526 388 D N -0.369 119.773 120.400 -0.430 0.000 2.272 388 D HA 0.221 4.860 4.640 -0.001 0.000 0.247 388 D C -2.054 173.854 176.300 -0.653 0.000 0.990 388 D CA -2.110 51.547 54.000 -0.573 0.000 0.931 388 D CB 1.910 42.348 40.800 -0.603 0.000 1.195 388 D HN -0.249 nan 8.370 nan 0.000 0.477 389 P HA 0.053 nan 4.420 nan 0.000 0.245 389 P C 0.500 177.606 177.300 -0.322 0.000 1.212 389 P CA 0.179 62.926 63.100 -0.588 0.000 0.774 389 P CB -0.028 31.374 31.700 -0.498 0.000 0.999 390 F N 1.438 121.125 119.950 -0.438 0.000 2.222 390 F HA 0.134 4.661 4.527 -0.001 0.000 0.285 390 F C 2.006 177.710 175.800 -0.161 0.000 1.068 390 F CA 1.141 59.065 58.000 -0.126 0.000 1.265 390 F CB -0.653 38.410 39.000 0.104 0.000 1.087 390 F HN -0.220 nan 8.300 nan 0.000 0.511 391 N N -0.193 118.504 118.700 -0.004 0.000 2.166 391 N HA -0.240 4.499 4.740 -0.001 0.000 0.186 391 N C 1.637 176.998 175.510 -0.249 0.000 1.019 391 N CA 1.024 53.990 53.050 -0.139 0.000 0.856 391 N CB -0.204 38.293 38.487 0.016 0.000 0.993 391 N HN 0.246 nan 8.380 nan 0.000 0.426 392 Q N 0.957 120.535 119.800 -0.370 0.000 2.291 392 Q HA -0.092 4.248 4.340 -0.001 0.000 0.205 392 Q C 0.365 176.022 176.000 -0.570 0.000 0.970 392 Q CA 1.572 57.081 55.803 -0.489 0.000 0.876 392 Q CB -0.105 28.244 28.738 -0.648 0.000 0.935 392 Q HN 0.536 nan 8.270 nan 0.000 0.455 393 H N -1.392 117.454 119.070 -0.372 0.000 2.505 393 H HA 0.288 4.843 4.556 -0.001 0.000 0.289 393 H C -0.563 174.557 175.328 -0.347 0.000 1.052 393 H CA 0.077 55.922 56.048 -0.340 0.000 1.156 393 H CB 0.616 30.139 29.762 -0.400 0.000 1.507 393 H HN -0.040 nan 8.280 nan 0.000 0.548 394 T N 1.285 115.650 114.554 -0.316 0.000 2.733 394 T HA 0.210 4.560 4.350 -0.001 0.000 0.294 394 T C -0.704 173.877 174.700 -0.198 0.000 0.956 394 T CA -0.253 61.580 62.100 -0.444 0.000 0.987 394 T CB 0.318 68.763 68.868 -0.704 0.000 0.920 394 T HN 0.314 nan 8.240 nan 0.000 0.470 395 F N 4.283 124.026 119.950 -0.344 0.000 2.971 395 F HA 0.340 4.866 4.527 -0.001 0.000 0.373 395 F C -0.888 174.878 175.800 -0.058 0.000 1.288 395 F CA -1.242 56.666 58.000 -0.153 0.000 1.204 395 F CB 0.498 39.431 39.000 -0.111 0.000 1.852 395 F HN 0.580 nan 8.300 nan 0.000 0.624 396 Y N 1.742 122.320 120.300 0.463 0.000 2.411 396 Y HA 0.129 4.678 4.550 -0.001 0.000 0.333 396 Y C 0.902 177.040 175.900 0.397 0.000 1.186 396 Y CA -0.099 58.249 58.100 0.414 0.000 1.381 396 Y CB 1.141 39.838 38.460 0.395 0.000 1.273 396 Y HN 0.343 nan 8.280 nan 0.000 0.546 397 S N 2.431 118.427 115.700 0.494 0.000 2.423 397 S HA 0.142 4.611 4.470 -0.001 0.000 0.317 397 S C 0.310 175.139 174.600 0.383 0.000 1.065 397 S CA -0.938 57.463 58.200 0.336 0.000 1.111 397 S CB 0.292 63.591 63.200 0.164 0.000 0.968 397 S HN 0.645 nan 8.310 nan 0.000 0.474 398 D N 3.907 124.515 120.400 0.347 0.000 2.264 398 D HA -0.071 4.568 4.640 -0.001 0.000 0.208 398 D C 1.792 178.233 176.300 0.235 0.000 0.966 398 D CA 1.170 55.373 54.000 0.338 0.000 0.864 398 D CB -0.088 40.846 40.800 0.223 0.000 0.933 398 D HN 0.854 nan 8.370 nan 0.000 0.499 399 I N -0.602 120.037 120.570 0.115 0.000 2.676 399 I HA -0.142 4.028 4.170 -0.001 0.000 0.259 399 I C 2.168 178.286 176.117 0.002 0.000 1.194 399 I CA 0.865 62.170 61.300 0.008 0.000 1.473 399 I CB -0.337 37.613 38.000 -0.084 0.000 1.096 399 I HN -0.155 nan 8.210 nan 0.000 0.443 400 S N 1.300 117.029 115.700 0.048 0.000 2.368 400 S HA -0.219 4.250 4.470 -0.001 0.000 0.225 400 S C 1.986 176.618 174.600 0.054 0.000 1.030 400 S CA 1.147 59.364 58.200 0.029 0.000 0.999 400 S CB -1.167 61.991 63.200 -0.071 0.000 0.844 400 S HN 0.664 nan 8.310 nan 0.000 0.459 401 Y N 2.432 122.844 120.300 0.185 0.000 2.314 401 Y HA 0.327 4.877 4.550 -0.001 0.000 0.293 401 Y C 1.619 177.597 175.900 0.131 0.000 1.129 401 Y CA 0.513 58.718 58.100 0.174 0.000 1.201 401 Y CB -0.448 38.084 38.460 0.120 0.000 0.999 401 Y HN 0.624 nan 8.280 nan 0.000 0.541 402 G N -0.613 108.306 108.800 0.198 0.000 3.233 402 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.686 402 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.686 402 G C -0.151 174.814 174.900 0.108 0.000 1.153 402 G CA -0.369 44.768 45.100 0.061 0.000 0.853 402 G HN -0.041 nan 8.290 nan 0.000 0.582 403 V N 1.838 121.776 119.914 0.041 0.000 3.307 403 V HA 0.297 4.416 4.120 -0.001 0.000 0.253 403 V C 2.349 178.530 176.094 0.145 0.000 1.149 403 V CA 2.127 64.507 62.300 0.133 0.000 1.112 403 V CB 0.634 32.495 31.823 0.063 0.000 0.777 403 V HN 1.375 nan 8.190 nan 0.000 0.464 404 G N 1.418 110.185 108.800 -0.055 0.000 3.337 404 G HA2 0.005 3.965 3.960 -0.001 0.000 0.246 404 G HA3 0.005 3.965 3.960 -0.001 0.000 0.246 404 G C 0.500 175.556 174.900 0.260 0.000 1.131 404 G CA 0.228 45.284 45.100 -0.075 0.000 0.773 404 G HN 0.626 nan 8.290 nan 0.000 0.544 405 N N -0.382 118.393 118.700 0.125 0.000 2.480 405 N HA 0.215 4.955 4.740 -0.001 0.000 0.281 405 N C 0.621 176.097 175.510 -0.056 0.000 1.381 405 N CA -0.599 52.453 53.050 0.003 0.000 0.903 405 N CB 0.555 38.976 38.487 -0.110 0.000 1.274 405 N HN 0.009 nan 8.380 nan 0.000 0.505 406 R N -0.092 120.443 120.500 0.059 0.000 2.702 406 R HA 0.534 4.874 4.340 -0.001 0.000 0.166 406 R C -0.179 176.035 176.300 -0.143 0.000 1.402 406 R CA -0.244 55.808 56.100 -0.081 0.000 1.077 406 R CB -0.512 29.920 30.300 0.220 0.000 1.947 406 R HN 0.074 nan 8.270 nan 0.000 0.494 407 F N -0.010 120.033 119.950 0.155 0.000 2.557 407 F HA 0.380 4.906 4.527 -0.001 0.000 0.336 407 F C 0.887 176.785 175.800 0.164 0.000 1.058 407 F CA -0.686 57.364 58.000 0.084 0.000 0.988 407 F CB 0.970 39.995 39.000 0.042 0.000 1.275 407 F HN 0.099 nan 8.300 nan 0.000 0.488 408 S N 0.982 116.887 115.700 0.340 0.000 2.584 408 S HA 0.344 4.813 4.470 -0.001 0.000 0.270 408 S C -0.228 174.648 174.600 0.460 0.000 1.346 408 S CA -0.651 57.744 58.200 0.324 0.000 1.018 408 S CB 0.302 63.628 63.200 0.210 0.000 0.899 408 S HN 0.317 nan 8.310 nan 0.000 0.542 409 L N 1.824 123.265 121.223 0.365 0.000 2.397 409 L HA 0.290 4.629 4.340 -0.001 0.000 0.271 409 L C -0.355 176.604 176.870 0.148 0.000 1.148 409 L CA -0.635 54.387 54.840 0.303 0.000 0.825 409 L CB 0.507 42.804 42.059 0.396 0.000 1.117 409 L HN 0.309 nan 8.230 nan 0.000 0.456 410 V N 4.406 124.300 119.914 -0.034 0.000 2.389 410 V HA 0.184 4.304 4.120 -0.001 0.000 0.264 410 V C -1.948 174.157 176.094 0.019 0.000 1.049 410 V CA -1.603 60.520 62.300 -0.294 0.000 0.932 410 V CB 0.759 32.350 31.823 -0.387 0.000 1.011 410 V HN 0.607 nan 8.190 nan 0.000 0.475 411 P HA 0.171 nan 4.420 nan 0.000 0.267 411 P C 1.149 178.538 177.300 0.149 0.000 1.200 411 P CA 1.345 64.466 63.100 0.035 0.000 0.772 411 P CB 0.639 32.225 31.700 -0.191 0.000 0.855 412 G N 0.629 109.449 108.800 0.033 0.000 2.435 412 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.245 412 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.245 412 G C 0.783 175.562 174.900 -0.200 0.000 1.073 412 G CA 0.504 45.548 45.100 -0.094 0.000 0.638 412 G HN 0.516 nan 8.290 nan 0.000 0.521 413 Y N -0.028 120.296 120.300 0.040 0.000 2.472 413 Y HA 0.262 4.812 4.550 -0.001 0.000 0.288 413 Y C 2.526 178.419 175.900 -0.012 0.000 1.154 413 Y CA 0.931 59.038 58.100 0.012 0.000 1.238 413 Y CB 0.020 38.489 38.460 0.015 0.000 1.287 413 Y HN 0.132 nan 8.280 nan 0.000 0.524 414 D N -0.599 119.910 120.400 0.181 0.000 2.183 414 D HA -0.020 4.619 4.640 -0.001 0.000 0.203 414 D C -0.025 176.299 176.300 0.041 0.000 0.969 414 D CA 0.970 55.039 54.000 0.114 0.000 0.842 414 D CB 0.047 40.939 40.800 0.153 0.000 0.957 414 D HN 0.125 nan 8.370 nan 0.000 0.484 415 c N -0.077 118.530 118.600 0.012 0.000 2.898 415 c HA 0.431 5.001 4.570 -0.001 0.000 0.304 415 c C -2.372 171.536 174.090 -0.303 0.000 1.237 415 c CA -1.665 54.534 56.329 -0.216 0.000 1.529 415 c CB 2.067 44.515 42.510 -0.104 0.000 2.021 415 c HN 0.034 nan 8.230 nan 0.000 0.474 416 P HA 0.146 nan 4.420 nan 0.000 0.269 416 P C 0.312 177.476 177.300 -0.227 0.000 1.217 416 P CA 0.268 63.125 63.100 -0.405 0.000 0.783 416 P CB 0.469 31.859 31.700 -0.516 0.000 0.898 417 A N 1.804 124.528 122.820 -0.159 0.000 2.076 417 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 417 A C 1.671 179.227 177.584 -0.046 0.000 1.160 417 A CA 2.226 54.202 52.037 -0.101 0.000 0.653 417 A CB -1.707 17.225 19.000 -0.114 0.000 0.801 417 A HN 0.649 nan 8.150 nan 0.000 0.455 418 T N -2.360 112.172 114.554 -0.037 0.000 3.148 418 T HA 0.522 4.871 4.350 -0.001 0.000 0.253 418 T C 0.746 175.515 174.700 0.115 0.000 1.134 418 T CA 0.323 62.448 62.100 0.041 0.000 1.051 418 T CB -0.502 68.410 68.868 0.072 0.000 0.959 418 T HN 0.598 nan 8.240 nan 0.000 0.525 419 A N 0.822 123.662 122.820 0.034 0.000 2.386 419 A HA 0.642 4.961 4.320 -0.001 0.000 0.248 419 A C 0.810 178.382 177.584 -0.020 0.000 1.082 419 A CA -0.189 51.862 52.037 0.023 0.000 0.789 419 A CB -0.103 18.752 19.000 -0.242 0.000 1.025 419 A HN 0.557 nan 8.150 nan 0.000 0.490 420 G N -0.437 108.428 108.800 0.109 0.000 2.371 420 G HA2 0.553 4.512 3.960 -0.001 0.000 0.326 420 G HA3 0.553 4.512 3.960 -0.001 0.000 0.326 420 G C -1.074 173.617 174.900 -0.347 0.000 1.127 420 G CA -0.293 44.851 45.100 0.073 0.000 0.885 420 G HN 0.538 nan 8.290 nan 0.000 0.477 421 Y N -0.100 120.011 120.300 -0.315 0.000 2.446 421 Y HA 0.651 5.200 4.550 -0.001 0.000 0.338 421 Y C -0.414 174.946 175.900 -0.899 0.000 1.055 421 Y CA -0.515 57.368 58.100 -0.363 0.000 1.101 421 Y CB 2.384 40.740 38.460 -0.175 0.000 1.221 421 Y HN 0.407 nan 8.280 nan 0.000 0.460 422 F N 0.083 119.877 119.950 -0.260 0.000 2.551 422 F HA 0.485 5.011 4.527 -0.001 0.000 0.316 422 F C -0.045 175.554 175.800 -0.335 0.000 1.089 422 F CA -0.939 56.796 58.000 -0.440 0.000 0.915 422 F CB 2.106 40.510 39.000 -0.994 0.000 1.186 422 F HN 0.254 nan 8.300 nan 0.000 0.456 423 T N 1.510 116.046 114.554 -0.031 0.000 2.837 423 T HA 0.587 4.937 4.350 -0.001 0.000 0.285 423 T C 0.044 174.713 174.700 -0.052 0.000 0.984 423 T CA -0.527 61.544 62.100 -0.049 0.000 1.049 423 T CB 1.156 70.029 68.868 0.009 0.000 0.947 423 T HN 0.746 nan 8.240 nan 0.000 0.472 424 T N -0.031 114.397 114.554 -0.211 0.000 2.858 424 T HA 0.826 5.175 4.350 -0.001 0.000 0.285 424 T C -1.517 173.052 174.700 -0.217 0.000 1.052 424 T CA -1.069 60.863 62.100 -0.281 0.000 1.009 424 T CB 1.815 70.137 68.868 -0.910 0.000 1.241 424 T HN 0.630 nan 8.240 nan 0.000 0.542 425 D N -1.203 119.108 120.400 -0.148 0.000 2.583 425 D HA 0.678 5.318 4.640 -0.001 0.000 0.248 425 D C -0.745 175.493 176.300 -0.103 0.000 1.209 425 D CA -0.705 53.176 54.000 -0.197 0.000 0.848 425 D CB 1.719 42.325 40.800 -0.323 0.000 1.431 425 D HN 0.911 nan 8.370 nan 0.000 0.436 426 T N -3.112 111.331 114.554 -0.185 0.000 2.787 426 T HA 0.661 5.011 4.350 -0.001 0.000 0.297 426 T C -1.575 173.154 174.700 0.049 0.000 1.221 426 T CA -1.027 61.068 62.100 -0.008 0.000 1.006 426 T CB 1.270 70.152 68.868 0.024 0.000 1.328 426 T HN 0.512 nan 8.240 nan 0.000 0.509 427 F N 0.437 120.435 119.950 0.080 0.000 2.547 427 F HA 0.707 5.234 4.527 -0.001 0.000 0.316 427 F C -0.993 174.991 175.800 0.307 0.000 1.121 427 F CA -0.481 57.663 58.000 0.239 0.000 0.911 427 F CB 1.631 40.792 39.000 0.270 0.000 1.179 427 F HN 0.773 nan 8.300 nan 0.000 0.443 428 E N 5.176 125.159 120.200 -0.362 0.000 2.304 428 E HA 0.237 4.587 4.350 -0.001 0.000 0.277 428 E C -1.583 174.801 176.600 -0.359 0.000 0.898 428 E CA -1.067 55.176 56.400 -0.262 0.000 0.764 428 E CB 2.002 31.758 29.700 0.094 0.000 1.216 428 E HN 0.674 nan 8.360 nan 0.000 0.419 429 Y N 2.138 122.295 120.300 -0.238 0.000 2.988 429 Y HA -0.297 4.252 4.550 -0.001 0.000 0.193 429 Y C 0.129 175.958 175.900 -0.119 0.000 1.388 429 Y CA 1.103 59.154 58.100 -0.081 0.000 0.904 429 Y CB -1.965 36.489 38.460 -0.010 0.000 1.297 429 Y HN 0.785 nan 8.280 nan 0.000 0.432 430 D N -1.861 118.532 120.400 -0.011 0.000 2.946 430 D HA -0.210 4.430 4.640 -0.001 0.000 0.202 430 D C -0.013 176.344 176.300 0.094 0.000 1.068 430 D CA 1.590 55.711 54.000 0.200 0.000 1.011 430 D CB -0.672 40.259 40.800 0.219 0.000 1.105 430 D HN 0.781 nan 8.370 nan 0.000 0.425 431 E N -0.595 119.457 120.200 -0.247 0.000 2.248 431 E HA 0.492 4.841 4.350 -0.001 0.000 0.267 431 E C -0.732 175.857 176.600 -0.018 0.000 0.877 431 E CA -0.809 55.522 56.400 -0.115 0.000 0.759 431 E CB 1.924 31.445 29.700 -0.298 0.000 1.182 431 E HN 0.001 nan 8.360 nan 0.000 0.418 432 F N 2.810 122.827 119.950 0.111 0.000 2.411 432 F HA 0.337 4.863 4.527 -0.001 0.000 0.350 432 F C -1.131 174.702 175.800 0.054 0.000 1.114 432 F CA -0.353 57.810 58.000 0.272 0.000 1.135 432 F CB 0.427 39.590 39.000 0.272 0.000 1.120 432 F HN 0.379 nan 8.300 nan 0.000 0.495 433 Y N 4.423 124.554 120.300 -0.281 0.000 2.335 433 Y HA 0.296 4.845 4.550 -0.001 0.000 0.338 433 Y C -0.165 175.585 175.900 -0.251 0.000 0.977 433 Y CA -0.892 57.116 58.100 -0.154 0.000 1.114 433 Y CB 1.119 39.510 38.460 -0.115 0.000 1.182 433 Y HN 0.493 nan 8.280 nan 0.000 0.463 434 N N 3.248 121.991 118.700 0.072 0.000 2.424 434 N HA 0.368 5.107 4.740 -0.001 0.000 0.271 434 N C -1.261 174.270 175.510 0.035 0.000 0.985 434 N CA -0.812 52.278 53.050 0.068 0.000 0.921 434 N CB 0.574 39.156 38.487 0.159 0.000 1.149 434 N HN 0.553 nan 8.380 nan 0.000 0.492 435 R N 1.243 121.725 120.500 -0.031 0.000 2.275 435 R HA 0.318 4.658 4.340 -0.001 0.000 0.326 435 R C 0.065 176.324 176.300 -0.068 0.000 0.973 435 R CA -0.781 55.289 56.100 -0.051 0.000 0.854 435 R CB 0.728 30.966 30.300 -0.103 0.000 1.156 435 R HN 0.520 nan 8.270 nan 0.000 0.487 436 T N -0.660 113.877 114.554 -0.029 0.000 2.849 436 T HA 0.274 4.624 4.350 -0.001 0.000 0.284 436 T C 0.960 175.649 174.700 -0.018 0.000 1.004 436 T CA -0.813 61.269 62.100 -0.031 0.000 1.021 436 T CB 0.566 69.419 68.868 -0.024 0.000 1.013 436 T HN 0.649 nan 8.240 nan 0.000 0.527 437 L N 0.049 121.263 121.223 -0.015 0.000 3.737 437 L HA -0.242 4.098 4.340 -0.001 0.000 0.418 437 L C 1.858 178.819 176.870 0.151 0.000 1.216 437 L CA 0.551 55.419 54.840 0.046 0.000 0.915 437 L CB -2.387 39.617 42.059 -0.091 0.000 1.834 437 L HN 0.944 nan 8.230 nan 0.000 0.943 438 S N -0.495 115.230 115.700 0.041 0.000 2.371 438 S HA -0.021 4.448 4.470 -0.001 0.000 0.224 438 S C 0.424 175.169 174.600 0.241 0.000 1.029 438 S CA 1.310 59.502 58.200 -0.012 0.000 0.978 438 S CB 0.185 63.130 63.200 -0.426 0.000 0.833 438 S HN 0.583 nan 8.310 nan 0.000 0.466 439 Y N -0.449 119.961 120.300 0.184 0.000 2.615 439 Y HA 0.700 5.250 4.550 -0.001 0.000 0.341 439 Y C -0.496 175.598 175.900 0.324 0.000 1.089 439 Y CA -1.843 56.446 58.100 0.314 0.000 1.049 439 Y CB 0.551 39.171 38.460 0.267 0.000 1.296 439 Y HN 0.214 nan 8.280 nan 0.000 0.470 440 c N 0.739 119.556 118.600 0.361 0.000 2.889 440 c HA 0.973 5.543 4.570 -0.001 0.000 0.307 440 c C -1.177 172.965 174.090 0.087 0.000 1.251 440 c CA -1.011 55.347 56.329 0.050 0.000 1.593 440 c CB 1.199 43.593 42.510 -0.193 0.000 2.104 440 c HN 0.884 nan 8.230 nan 0.000 0.476 441 V N 2.338 122.211 119.914 -0.069 0.000 2.638 441 V HA 0.852 4.972 4.120 -0.001 0.000 0.306 441 V C -0.549 175.379 176.094 -0.277 0.000 1.052 441 V CA -0.121 61.930 62.300 -0.417 0.000 0.885 441 V CB 1.347 32.594 31.823 -0.961 0.000 0.999 441 V HN 1.054 nan 8.190 nan 0.000 0.424 442 F N 0.712 120.395 119.950 -0.445 0.000 2.693 442 F HA 0.711 5.237 4.527 -0.001 0.000 0.309 442 F C -0.795 174.852 175.800 -0.255 0.000 1.129 442 F CA -1.057 56.828 58.000 -0.192 0.000 0.948 442 F CB 1.757 40.697 39.000 -0.100 0.000 1.315 442 F HN 0.490 nan 8.300 nan 0.000 0.447 443 E N 2.109 122.384 120.200 0.125 0.000 2.146 443 E HA 0.312 4.662 4.350 -0.001 0.000 0.282 443 E C -1.301 175.382 176.600 0.139 0.000 0.989 443 E CA -0.652 55.727 56.400 -0.035 0.000 0.799 443 E CB 0.936 30.731 29.700 0.159 0.000 1.088 443 E HN 0.670 nan 8.360 nan 0.000 0.397 444 N N 2.921 121.634 118.700 0.022 0.000 2.489 444 N HA 0.113 4.852 4.740 -0.001 0.000 0.284 444 N C -1.351 174.184 175.510 0.042 0.000 1.158 444 N CA -0.463 52.654 53.050 0.111 0.000 0.965 444 N CB 1.462 40.007 38.487 0.097 0.000 1.195 444 N HN 0.348 nan 8.380 nan 0.000 0.506 445 Q N 1.564 121.396 119.800 0.053 0.000 2.372 445 Q HA 0.250 4.589 4.340 -0.001 0.000 0.259 445 Q C -1.036 174.967 176.000 0.005 0.000 0.993 445 Q CA -0.486 55.342 55.803 0.041 0.000 0.854 445 Q CB 0.489 29.265 28.738 0.064 0.000 1.231 445 Q HN 0.400 nan 8.270 nan 0.000 0.462 446 E N 2.028 122.191 120.200 -0.061 0.000 2.404 446 E HA -0.028 4.322 4.350 -0.001 0.000 0.261 446 E C 0.017 176.573 176.600 -0.072 0.000 1.074 446 E CA 0.093 56.431 56.400 -0.105 0.000 0.917 446 E CB 0.666 30.176 29.700 -0.317 0.000 0.965 446 E HN 0.743 nan 8.360 nan 0.000 0.433 447 D N 0.280 120.708 120.400 0.047 0.000 2.325 447 D HA -0.061 4.579 4.640 -0.001 0.000 0.234 447 D C 0.004 176.418 176.300 0.190 0.000 1.122 447 D CA 0.007 54.072 54.000 0.109 0.000 0.850 447 D CB -0.670 40.202 40.800 0.121 0.000 0.921 447 D HN 0.368 nan 8.370 nan 0.000 0.513 448 Y N -1.628 118.728 120.300 0.093 0.000 2.553 448 Y HA 0.605 5.155 4.550 -0.001 0.000 0.347 448 Y C -0.029 175.945 175.900 0.124 0.000 1.019 448 Y CA -1.830 56.328 58.100 0.095 0.000 1.032 448 Y CB 0.643 39.152 38.460 0.082 0.000 1.284 448 Y HN -0.093 nan 8.280 nan 0.000 0.466 449 S N 2.282 118.074 115.700 0.154 0.000 2.593 449 S HA 0.136 4.606 4.470 -0.001 0.000 0.269 449 S C 0.684 175.370 174.600 0.143 0.000 1.334 449 S CA -0.438 57.826 58.200 0.105 0.000 1.015 449 S CB 1.253 64.548 63.200 0.158 0.000 0.912 449 S HN 0.947 nan 8.310 nan 0.000 0.541 450 L N 0.892 122.192 121.223 0.128 0.000 2.093 450 L HA 0.294 4.634 4.340 -0.001 0.000 0.208 450 L C 0.146 177.135 176.870 0.198 0.000 1.085 450 L CA 1.652 56.604 54.840 0.187 0.000 0.755 450 L CB -0.933 41.238 42.059 0.187 0.000 0.904 450 L HN 0.880 nan 8.230 nan 0.000 0.435 451 L N -3.262 118.066 121.223 0.176 0.000 2.892 451 L HA 0.652 4.992 4.340 -0.001 0.000 0.269 451 L C -0.863 176.109 176.870 0.170 0.000 1.058 451 L CA -0.940 53.996 54.840 0.160 0.000 0.923 451 L CB 1.505 43.643 42.059 0.132 0.000 1.518 451 L HN 0.188 nan 8.230 nan 0.000 0.402 452 R N -0.361 120.243 120.500 0.173 0.000 2.728 452 R HA 0.741 5.080 4.340 -0.001 0.000 0.274 452 R C -1.974 174.480 176.300 0.256 0.000 1.032 452 R CA -0.866 55.352 56.100 0.197 0.000 0.866 452 R CB 1.260 31.653 30.300 0.156 0.000 1.263 452 R HN 0.989 nan 8.270 nan 0.000 0.475 453 H N -0.199 118.956 119.070 0.141 0.000 3.085 453 H HA 0.445 5.000 4.556 -0.001 0.000 0.356 453 H C -1.763 173.581 175.328 0.026 0.000 1.178 453 H CA -0.104 56.002 56.048 0.097 0.000 1.214 453 H CB 2.823 32.670 29.762 0.141 0.000 1.881 453 H HN 0.724 nan 8.280 nan 0.000 0.538 454 T N 3.294 117.370 114.554 -0.796 0.000 2.792 454 T HA 0.714 5.064 4.350 -0.001 0.000 0.280 454 T C -0.396 173.679 174.700 -1.042 0.000 0.990 454 T CA 0.030 61.697 62.100 -0.722 0.000 0.960 454 T CB 1.109 69.733 68.868 -0.406 0.000 0.939 454 T HN 0.878 nan 8.240 nan 0.000 0.439 455 G N 0.675 108.891 108.800 -0.973 0.000 2.387 455 G HA2 0.581 4.541 3.960 -0.001 0.000 0.294 455 G HA3 0.581 4.541 3.960 -0.001 0.000 0.294 455 G C -0.165 174.411 174.900 -0.540 0.000 1.509 455 G CA 0.144 44.885 45.100 -0.598 0.000 0.806 455 G HN 1.266 nan 8.290 nan 0.000 0.546 456 A N -0.295 122.419 122.820 -0.176 0.000 2.745 456 A HA 0.189 4.508 4.320 -0.001 0.000 0.296 456 A C 1.513 179.130 177.584 0.055 0.000 1.500 456 A CA 1.765 53.803 52.037 0.001 0.000 0.766 456 A CB -1.906 17.198 19.000 0.173 0.000 1.030 456 A HN 2.555 nan 8.150 nan 0.000 0.489 457 S N -4.263 111.422 115.700 -0.024 0.000 3.361 457 S HA -0.229 4.241 4.470 -0.001 0.000 0.288 457 S C -0.019 174.632 174.600 0.085 0.000 1.269 457 S CA 2.336 60.573 58.200 0.061 0.000 0.976 457 S CB -2.454 60.812 63.200 0.109 0.000 1.162 457 S HN 2.500 nan 8.310 nan 0.000 0.643 458 Y N -1.738 118.555 120.300 -0.011 0.000 2.609 458 Y HA 0.869 5.419 4.550 -0.001 0.000 0.342 458 Y C -0.517 175.377 175.900 -0.010 0.000 1.058 458 Y CA -1.285 56.772 58.100 -0.072 0.000 1.055 458 Y CB 1.163 39.556 38.460 -0.111 0.000 1.292 458 Y HN -0.034 nan 8.280 nan 0.000 0.476 459 S N 1.116 116.929 115.700 0.189 0.000 2.594 459 S HA 0.851 5.320 4.470 -0.001 0.000 0.296 459 S C -1.197 173.605 174.600 0.338 0.000 1.124 459 S CA -0.546 57.719 58.200 0.110 0.000 1.011 459 S CB 1.330 64.466 63.200 -0.106 0.000 1.016 459 S HN 1.019 nan 8.310 nan 0.000 0.485 460 A N 3.856 126.943 122.820 0.445 0.000 2.319 460 A HA 0.865 5.185 4.320 -0.001 0.000 0.310 460 A C -0.807 176.967 177.584 0.316 0.000 1.152 460 A CA -0.548 51.775 52.037 0.476 0.000 0.783 460 A CB 0.302 19.620 19.000 0.531 0.000 1.184 460 A HN 0.787 nan 8.150 nan 0.000 0.474 461 I N 1.456 122.198 120.570 0.287 0.000 2.619 461 I HA 0.411 4.580 4.170 -0.001 0.000 0.292 461 I C -0.377 175.884 176.117 0.241 0.000 1.100 461 I CA -0.412 61.028 61.300 0.234 0.000 1.043 461 I CB 2.825 40.946 38.000 0.202 0.000 1.239 461 I HN 0.494 nan 8.210 nan 0.000 0.420 462 T N 4.785 119.462 114.554 0.205 0.000 2.779 462 T HA 0.344 4.694 4.350 -0.001 0.000 0.280 462 T C -0.228 174.584 174.700 0.187 0.000 0.987 462 T CA -0.584 61.632 62.100 0.193 0.000 0.966 462 T CB 1.334 70.296 68.868 0.156 0.000 0.933 462 T HN 0.477 nan 8.240 nan 0.000 0.442 463 Q N 1.913 121.836 119.800 0.205 0.000 2.492 463 Q HA 0.213 4.552 4.340 -0.001 0.000 0.238 463 Q C 0.208 176.295 176.000 0.145 0.000 1.045 463 Q CA -0.335 55.576 55.803 0.180 0.000 0.934 463 Q CB 0.414 29.285 28.738 0.222 0.000 1.276 463 Q HN 0.396 nan 8.270 nan 0.000 0.521 464 N N 1.474 120.225 118.700 0.085 0.000 2.886 464 N HA 0.244 4.984 4.740 -0.001 0.000 0.285 464 N C -2.675 172.871 175.510 0.059 0.000 1.706 464 N CA -1.887 51.199 53.050 0.060 0.000 0.904 464 N CB 0.766 39.166 38.487 -0.145 0.000 1.224 464 N HN 0.268 nan 8.380 nan 0.000 0.488 465 P HA 0.233 nan 4.420 nan 0.000 0.278 465 P C -0.722 176.696 177.300 0.196 0.000 1.238 465 P CA -0.052 63.160 63.100 0.187 0.000 0.794 465 P CB 1.216 33.107 31.700 0.318 0.000 0.955 466 T N 0.111 114.600 114.554 -0.109 0.000 2.900 466 T HA 0.491 4.841 4.350 -0.001 0.000 0.295 466 T C -0.465 173.673 174.700 -0.937 0.000 1.044 466 T CA -0.966 60.824 62.100 -0.517 0.000 0.995 466 T CB 1.192 69.627 68.868 -0.721 0.000 1.072 466 T HN 0.200 nan 8.240 nan 0.000 0.473 467 L N 2.480 122.762 121.223 -1.569 0.000 2.326 467 L HA 0.540 4.880 4.340 -0.001 0.000 0.278 467 L C -0.497 175.838 176.870 -0.892 0.000 1.092 467 L CA -0.105 53.892 54.840 -1.404 0.000 0.810 467 L CB 0.486 41.595 42.059 -1.583 0.000 1.153 467 L HN 0.728 nan 8.230 nan 0.000 0.439 468 N N 3.966 122.068 118.700 -0.997 0.000 2.295 468 N HA 0.450 5.190 4.740 -0.001 0.000 0.293 468 N C -1.641 173.406 175.510 -0.773 0.000 1.040 468 N CA -0.441 52.023 53.050 -0.977 0.000 0.840 468 N CB 2.507 39.992 38.487 -1.670 0.000 1.468 468 N HN 0.288 nan 8.380 nan 0.000 0.478 469 V N 2.144 121.854 119.914 -0.340 0.000 2.409 469 V HA 0.499 4.619 4.120 -0.001 0.000 0.291 469 V C 0.133 176.324 176.094 0.162 0.000 1.020 469 V CA -0.700 61.551 62.300 -0.081 0.000 0.848 469 V CB 1.839 33.677 31.823 0.026 0.000 0.990 469 V HN 0.606 nan 8.190 nan 0.000 0.430 470 R N 4.569 125.228 120.500 0.264 0.000 2.686 470 R HA 0.782 5.121 4.340 -0.001 0.000 0.286 470 R C -1.649 174.994 176.300 0.571 0.000 0.969 470 R CA -0.499 55.824 56.100 0.371 0.000 0.898 470 R CB 2.123 32.608 30.300 0.309 0.000 1.183 470 R HN 0.657 nan 8.270 nan 0.000 0.456 471 F N 2.267 122.478 119.950 0.436 0.000 2.613 471 F HA 0.688 5.215 4.527 -0.001 0.000 0.314 471 F C -1.672 174.426 175.800 0.497 0.000 1.075 471 F CA -1.251 57.048 58.000 0.499 0.000 0.945 471 F CB 1.369 40.745 39.000 0.626 0.000 1.310 471 F HN 0.289 nan 8.300 nan 0.000 0.467 472 I N 2.257 123.052 120.570 0.375 0.000 2.447 472 I HA 0.337 4.506 4.170 -0.001 0.000 0.287 472 I C -0.808 175.542 176.117 0.390 0.000 1.023 472 I CA -0.744 60.675 61.300 0.198 0.000 1.083 472 I CB 2.067 40.186 38.000 0.198 0.000 1.245 472 I HN 0.744 nan 8.210 nan 0.000 0.434 473 S N 4.122 120.035 115.700 0.355 0.000 2.448 473 S HA 0.433 4.903 4.470 -0.001 0.000 0.320 473 S C -0.325 174.527 174.600 0.421 0.000 1.071 473 S CA -0.321 58.185 58.200 0.511 0.000 1.113 473 S CB 0.596 64.178 63.200 0.638 0.000 0.972 473 S HN 0.557 nan 8.310 nan 0.000 0.465 474 T N 6.672 121.483 114.554 0.427 0.000 2.738 474 T HA 0.434 4.783 4.350 -0.001 0.000 0.298 474 T C -0.134 174.791 174.700 0.374 0.000 0.962 474 T CA -0.222 62.084 62.100 0.342 0.000 0.972 474 T CB -0.072 68.974 68.868 0.296 0.000 0.928 474 T HN 0.580 nan 8.240 nan 0.000 0.474 475 I N 3.653 124.391 120.570 0.279 0.000 2.428 475 I HA 0.428 4.598 4.170 -0.001 0.000 0.279 475 I C 1.283 177.460 176.117 0.101 0.000 1.040 475 I CA -0.475 60.950 61.300 0.208 0.000 1.171 475 I CB 0.497 38.640 38.000 0.239 0.000 1.312 475 I HN 0.867 nan 8.210 nan 0.000 0.470 476 G N 6.524 115.390 108.800 0.109 0.000 2.602 476 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.310 476 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.310 476 G C 0.298 175.253 174.900 0.093 0.000 1.183 476 G CA 0.446 45.583 45.100 0.061 0.000 0.979 476 G HN 0.728 nan 8.290 nan 0.000 0.545 480 Y N 1.281 121.583 120.300 0.004 0.000 2.328 480 Y HA 0.488 5.038 4.550 -0.001 0.000 0.337 480 Y C 0.427 175.986 175.900 -0.569 0.000 1.008 480 Y CA -0.794 57.118 58.100 -0.313 0.000 1.129 480 Y CB 1.127 39.317 38.460 -0.450 0.000 1.185 480 Y HN 0.227 nan 8.280 nan 0.000 0.476 481 N N 4.282 122.685 118.700 -0.495 0.000 2.476 481 N HA 0.288 5.027 4.740 -0.001 0.000 0.257 481 N C -1.834 173.310 175.510 -0.610 0.000 0.970 481 N CA -0.472 52.247 53.050 -0.551 0.000 0.938 481 N CB 0.221 38.209 38.487 -0.833 0.000 1.144 481 N HN 0.391 nan 8.380 nan 0.000 0.500 482 F N 2.857 122.653 119.950 -0.256 0.000 2.420 482 F HA 0.499 5.026 4.527 -0.001 0.000 0.342 482 F C 0.173 175.878 175.800 -0.158 0.000 1.113 482 F CA -0.984 56.882 58.000 -0.224 0.000 1.059 482 F CB 1.488 40.339 39.000 -0.250 0.000 1.128 482 F HN 0.217 nan 8.300 nan 0.000 0.475 483 L N 4.309 125.434 121.223 -0.164 0.000 2.408 483 L HA 0.572 4.912 4.340 -0.001 0.000 0.268 483 L C -1.887 174.629 176.870 -0.589 0.000 0.986 483 L CA -0.823 53.891 54.840 -0.210 0.000 0.820 483 L CB 1.446 43.388 42.059 -0.195 0.000 1.303 483 L HN 0.441 nan 8.230 nan 0.000 0.411 484 Y N 3.922 124.048 120.300 -0.290 0.000 2.326 484 Y HA 0.528 5.078 4.550 -0.001 0.000 0.331 484 Y C -0.270 175.228 175.900 -0.670 0.000 0.962 484 Y CA -0.533 57.219 58.100 -0.579 0.000 1.167 484 Y CB 1.660 39.713 38.460 -0.678 0.000 1.148 484 Y HN 0.431 nan 8.280 nan 0.000 0.463 485 K N 4.367 124.356 120.400 -0.685 0.000 2.413 485 K HA 0.573 4.893 4.320 -0.001 0.000 0.257 485 K C -1.903 174.215 176.600 -0.804 0.000 0.946 485 K CA -0.495 55.401 56.287 -0.651 0.000 0.823 485 K CB 0.785 32.985 32.500 -0.500 0.000 1.109 485 K HN 0.480 nan 8.250 nan 0.000 0.427 486 F N 4.085 123.564 119.950 -0.784 0.000 2.469 486 F HA 0.484 5.010 4.527 -0.001 0.000 0.332 486 F C -0.295 175.275 175.800 -0.384 0.000 1.103 486 F CA -0.587 56.990 58.000 -0.706 0.000 0.979 486 F CB 1.001 39.295 39.000 -1.177 0.000 1.137 486 F HN 0.355 nan 8.300 nan 0.000 0.463 487 F N 1.874 122.010 119.950 0.310 0.000 2.523 487 F HA 0.402 4.929 4.527 -0.001 0.000 0.329 487 F C 1.086 177.299 175.800 0.687 0.000 1.061 487 F CA -0.862 57.408 58.000 0.450 0.000 0.967 487 F CB 1.315 40.459 39.000 0.240 0.000 1.218 487 F HN 0.308 nan 8.300 nan 0.000 0.480 488 L N 0.872 122.517 121.223 0.704 0.000 2.191 488 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 488 L C 1.935 179.044 176.870 0.398 0.000 1.103 488 L CA 1.255 56.382 54.840 0.478 0.000 0.769 488 L CB -0.411 41.828 42.059 0.299 0.000 0.908 488 L HN 0.696 nan 8.230 nan 0.000 0.438 489 D N -0.904 119.683 120.400 0.312 0.000 2.349 489 D HA -0.030 4.610 4.640 -0.001 0.000 0.215 489 D C 1.426 177.658 176.300 -0.113 0.000 1.016 489 D CA 1.020 55.127 54.000 0.179 0.000 0.870 489 D CB 0.563 41.449 40.800 0.143 0.000 0.917 489 D HN 0.299 nan 8.370 nan 0.000 0.524 490 G N -0.182 108.343 108.800 -0.459 0.000 2.192 490 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.193 490 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.193 490 G C 0.239 175.196 174.900 0.094 0.000 0.999 490 G CA 0.082 44.593 45.100 -0.981 0.000 0.659 490 G HN 0.396 nan 8.290 nan 0.000 0.503 491 T N 1.049 115.773 114.554 0.283 0.000 2.889 491 T HA 0.601 4.950 4.350 -0.001 0.000 0.291 491 T C -0.321 174.605 174.700 0.376 0.000 0.995 491 T CA 0.177 62.428 62.100 0.252 0.000 1.092 491 T CB 1.955 70.779 68.868 -0.074 0.000 0.954 491 T HN 0.814 nan 8.240 nan 0.000 0.506 492 L N 2.726 124.021 121.223 0.119 0.000 2.385 492 L HA 0.596 4.935 4.340 -0.001 0.000 0.273 492 L C -0.547 176.153 176.870 -0.284 0.000 0.990 492 L CA -0.552 54.123 54.840 -0.274 0.000 0.821 492 L CB 1.843 43.603 42.059 -0.498 0.000 1.279 492 L HN 0.665 nan 8.230 nan 0.000 0.412 493 E N 3.861 123.855 120.200 -0.343 0.000 2.171 493 E HA 0.591 4.941 4.350 -0.001 0.000 0.271 493 E C -1.753 174.445 176.600 -0.671 0.000 0.916 493 E CA -0.757 55.408 56.400 -0.391 0.000 0.774 493 E CB 1.861 31.491 29.700 -0.118 0.000 1.128 493 E HN 0.564 nan 8.360 nan 0.000 0.403 494 V N 3.826 123.161 119.914 -0.964 0.000 2.417 494 V HA 0.456 4.576 4.120 -0.001 0.000 0.291 494 V C -0.255 175.277 176.094 -0.936 0.000 1.024 494 V CA -0.379 61.207 62.300 -1.190 0.000 0.861 494 V CB 1.281 32.081 31.823 -1.705 0.000 0.985 494 V HN 0.775 nan 8.190 nan 0.000 0.436 495 S N 3.803 119.091 115.700 -0.686 0.000 2.607 495 S HA 0.865 5.335 4.470 -0.001 0.000 0.273 495 S C -1.247 173.235 174.600 -0.197 0.000 1.148 495 S CA -0.779 57.206 58.200 -0.357 0.000 0.833 495 S CB 2.109 65.207 63.200 -0.171 0.000 1.130 495 S HN 0.813 nan 8.310 nan 0.000 0.470 496 V N 0.892 120.761 119.914 -0.074 0.000 2.925 496 V HA 0.791 4.911 4.120 -0.001 0.000 0.311 496 V C -1.534 174.550 176.094 -0.016 0.000 1.104 496 V CA -0.701 61.550 62.300 -0.081 0.000 0.954 496 V CB 2.149 33.972 31.823 0.001 0.000 1.022 496 V HN 1.074 nan 8.190 nan 0.000 0.427 497 R N 3.359 123.798 120.500 -0.101 0.000 2.686 497 R HA 0.871 5.211 4.340 -0.001 0.000 0.283 497 R C -1.048 175.347 176.300 0.158 0.000 0.978 497 R CA -0.370 55.753 56.100 0.038 0.000 0.897 497 R CB 2.255 32.508 30.300 -0.079 0.000 1.192 497 R HN 0.918 nan 8.270 nan 0.000 0.457 498 A N 1.226 124.171 122.820 0.210 0.000 2.380 498 A HA 0.954 5.273 4.320 -0.001 0.000 0.315 498 A C -1.150 176.328 177.584 -0.176 0.000 1.101 498 A CA -0.372 51.686 52.037 0.035 0.000 0.771 498 A CB 1.818 20.686 19.000 -0.220 0.000 1.287 498 A HN 0.796 nan 8.150 nan 0.000 0.436 499 A N -0.254 122.301 122.820 -0.443 0.000 2.515 499 A HA 1.023 5.342 4.320 -0.001 0.000 0.299 499 A C 0.246 177.570 177.584 -0.433 0.000 1.179 499 A CA 0.171 51.786 52.037 -0.703 0.000 0.656 499 A CB 0.421 18.416 19.000 -1.675 0.000 1.306 499 A HN 2.895 nan 8.150 nan 0.000 0.459 500 G N -1.918 106.640 108.800 -0.403 0.000 2.447 500 G HA2 0.216 4.176 3.960 -0.001 0.000 0.220 500 G HA3 0.216 4.176 3.960 -0.001 0.000 0.220 500 G C -0.930 173.826 174.900 -0.240 0.000 1.261 500 G CA -0.292 44.624 45.100 -0.306 0.000 1.000 500 G HN 1.335 nan 8.290 nan 0.000 0.515 501 Y N 0.819 121.094 120.300 -0.041 0.000 2.316 501 Y HA 0.513 5.062 4.550 -0.001 0.000 0.331 501 Y C 1.664 177.601 175.900 0.061 0.000 1.083 501 Y CA -0.119 57.983 58.100 0.004 0.000 1.206 501 Y CB 0.837 39.291 38.460 -0.011 0.000 1.195 501 Y HN 0.645 nan 8.280 nan 0.000 0.497 502 I N 0.492 121.224 120.570 0.271 0.000 2.882 502 I HA 0.198 4.368 4.170 -0.001 0.000 0.286 502 I C -0.008 176.240 176.117 0.218 0.000 1.139 502 I CA -0.747 60.697 61.300 0.240 0.000 1.379 502 I CB 0.769 38.897 38.000 0.213 0.000 1.410 502 I HN 0.583 nan 8.210 nan 0.000 0.594 503 Q N 4.163 124.084 119.800 0.201 0.000 2.472 503 Q HA 0.480 4.819 4.340 -0.001 0.000 0.227 503 Q C -0.220 175.893 176.000 0.188 0.000 1.156 503 Q CA -0.531 55.364 55.803 0.153 0.000 0.924 503 Q CB 0.663 29.410 28.738 0.015 0.000 1.354 503 Q HN 0.892 nan 8.270 nan 0.000 0.525 504 A N 2.660 125.599 122.820 0.200 0.000 2.250 504 A HA 0.845 5.165 4.320 -0.001 0.000 0.283 504 A C 0.295 178.022 177.584 0.239 0.000 1.206 504 A CA 0.185 52.359 52.037 0.230 0.000 0.840 504 A CB 0.657 19.794 19.000 0.228 0.000 1.220 504 A HN 0.760 nan 8.150 nan 0.000 0.505 505 G N -2.777 106.183 108.800 0.267 0.000 2.672 505 G HA2 0.482 4.442 3.960 -0.001 0.000 0.292 505 G HA3 0.482 4.442 3.960 -0.001 0.000 0.292 505 G C -1.285 173.814 174.900 0.332 0.000 1.375 505 G CA -0.532 44.750 45.100 0.303 0.000 0.890 505 G HN 0.726 nan 8.290 nan 0.000 0.476 506 Y N 0.922 121.385 120.300 0.272 0.000 2.511 506 Y HA 0.274 4.824 4.550 -0.001 0.000 0.332 506 Y C 0.273 176.343 175.900 0.284 0.000 1.177 506 Y CA -0.572 57.684 58.100 0.259 0.000 1.422 506 Y CB 0.699 39.289 38.460 0.215 0.000 1.271 506 Y HN 0.518 nan 8.280 nan 0.000 0.550 507 W N 9.723 130.713 121.300 -0.518 0.000 2.342 507 W HA 0.194 4.854 4.660 -0.001 0.000 0.310 507 W C -1.114 175.291 176.519 -0.190 0.000 1.128 507 W CA -0.817 56.381 57.345 -0.246 0.000 1.322 507 W CB 0.609 29.931 29.460 -0.230 0.000 1.251 507 W HN 0.598 nan 8.180 nan 0.000 0.439 508 N N 8.306 126.772 118.700 -0.389 0.000 2.469 508 N HA 0.220 4.960 4.740 -0.001 0.000 0.253 508 N C -1.766 173.313 175.510 -0.717 0.000 0.970 508 N CA -2.139 50.744 53.050 -0.279 0.000 0.940 508 N CB 1.837 40.296 38.487 -0.047 0.000 1.128 508 N HN 0.156 nan 8.380 nan 0.000 0.503 509 P HA -0.074 nan 4.420 nan 0.000 0.222 509 P C 0.504 177.634 177.300 -0.284 0.000 1.147 509 P CA 1.169 64.006 63.100 -0.438 0.000 0.790 509 P CB 0.500 32.216 31.700 0.027 0.000 0.780 510 E N -0.899 119.179 120.200 -0.203 0.000 2.208 510 E HA -0.078 4.272 4.350 -0.001 0.000 0.193 510 E C 1.272 177.788 176.600 -0.140 0.000 0.988 510 E CA 1.771 58.093 56.400 -0.129 0.000 0.828 510 E CB -0.218 29.430 29.700 -0.088 0.000 0.763 510 E HN 0.408 nan 8.360 nan 0.000 0.478 511 T N -4.271 110.165 114.554 -0.197 0.000 3.046 511 T HA 0.173 4.522 4.350 -0.001 0.000 0.270 511 T C 1.657 176.292 174.700 -0.110 0.000 0.920 511 T CA -0.277 61.752 62.100 -0.119 0.000 0.874 511 T CB 0.367 69.190 68.868 -0.075 0.000 1.214 511 T HN -0.150 nan 8.240 nan 0.000 0.536 512 S N 1.487 116.980 115.700 -0.345 0.000 2.496 512 S HA 0.366 4.835 4.470 -0.001 0.000 0.224 512 S C 2.377 176.888 174.600 -0.148 0.000 0.996 512 S CA 0.589 58.619 58.200 -0.285 0.000 0.927 512 S CB -0.297 62.530 63.200 -0.623 0.000 0.774 512 S HN 0.716 nan 8.310 nan 0.000 0.524 513 A N 2.527 125.198 122.820 -0.248 0.000 1.972 513 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 513 A C -0.262 177.321 177.584 -0.002 0.000 1.169 513 A CA 1.154 53.213 52.037 0.037 0.000 0.635 513 A CB -1.709 17.340 19.000 0.083 0.000 0.810 513 A HN 0.384 nan 8.150 nan 0.000 0.446 514 P HA -0.051 nan 4.420 nan 0.000 0.234 514 P C -0.152 176.818 177.300 -0.551 0.000 1.167 514 P CA 0.933 63.771 63.100 -0.438 0.000 0.763 514 P CB -0.094 31.183 31.700 -0.704 0.000 0.835 515 Y N -1.783 118.552 120.300 0.058 0.000 2.626 515 Y HA 0.557 5.106 4.550 -0.001 0.000 0.248 515 Y C 1.154 177.161 175.900 0.179 0.000 1.147 515 Y CA -0.213 57.965 58.100 0.130 0.000 1.219 515 Y CB 0.880 39.406 38.460 0.110 0.000 1.279 515 Y HN -0.156 nan 8.280 nan 0.000 0.541 516 G N -0.146 108.806 108.800 0.254 0.000 2.340 516 G HA2 0.384 4.344 3.960 -0.001 0.000 0.298 516 G HA3 0.384 4.344 3.960 -0.001 0.000 0.298 516 G C -1.882 173.177 174.900 0.266 0.000 1.498 516 G CA -1.118 44.136 45.100 0.256 0.000 0.847 516 G HN -0.016 nan 8.290 nan 0.000 0.594 517 L N 0.410 121.711 121.223 0.130 0.000 2.357 517 L HA 0.525 4.864 4.340 -0.001 0.000 0.273 517 L C 0.815 177.576 176.870 -0.182 0.000 1.080 517 L CA -0.901 53.933 54.840 -0.010 0.000 0.803 517 L CB 1.636 43.661 42.059 -0.056 0.000 1.174 517 L HN 0.551 nan 8.230 nan 0.000 0.443 518 K N 3.197 123.210 120.400 -0.645 0.000 2.338 518 K HA 0.184 4.504 4.320 -0.001 0.000 0.290 518 K C 0.671 176.992 176.600 -0.465 0.000 1.069 518 K CA -0.093 55.621 56.287 -0.955 0.000 0.941 518 K CB 0.363 31.878 32.500 -1.641 0.000 1.023 518 K HN 0.675 nan 8.250 nan 0.000 0.477 519 I N 0.569 120.976 120.570 -0.271 0.000 4.082 519 I HA 0.265 4.435 4.170 -0.001 0.000 0.337 519 I C 0.312 176.354 176.117 -0.124 0.000 1.352 519 I CA -0.508 60.706 61.300 -0.145 0.000 1.097 519 I CB 0.142 38.127 38.000 -0.025 0.000 1.048 519 I HN 0.518 nan 8.210 nan 0.000 0.393 520 H N 0.853 119.719 119.070 -0.341 0.000 2.948 520 H HA 0.177 4.733 4.556 -0.001 0.000 0.315 520 H C -0.401 174.678 175.328 -0.416 0.000 1.360 520 H CA -0.274 55.486 56.048 -0.480 0.000 1.125 520 H CB 2.000 31.272 29.762 -0.816 0.000 1.844 520 H HN -0.088 nan 8.280 nan 0.000 0.529 521 D N 0.542 120.473 120.400 -0.782 0.000 2.133 521 D HA -0.140 4.500 4.640 -0.001 0.000 0.192 521 D C 1.469 177.635 176.300 -0.223 0.000 1.001 521 D CA 2.499 56.237 54.000 -0.437 0.000 0.844 521 D CB 0.129 40.719 40.800 -0.349 0.000 0.944 521 D HN 0.259 nan 8.370 nan 0.000 0.447 522 V N -1.956 117.879 119.914 -0.131 0.000 2.841 522 V HA 0.453 4.572 4.120 -0.001 0.000 0.363 522 V C -0.529 175.463 176.094 -0.171 0.000 1.330 522 V CA -0.795 61.404 62.300 -0.169 0.000 1.207 522 V CB 0.125 31.841 31.823 -0.178 0.000 1.318 522 V HN -0.041 nan 8.190 nan 0.000 0.603 523 L N 1.029 122.216 121.223 -0.061 0.000 2.362 523 L HA 0.846 5.186 4.340 -0.001 0.000 0.275 523 L C -0.110 176.812 176.870 0.088 0.000 0.998 523 L CA -0.108 54.766 54.840 0.057 0.000 0.820 523 L CB 2.162 44.281 42.059 0.099 0.000 1.270 523 L HN 0.301 nan 8.230 nan 0.000 0.415 524 S N 2.145 117.989 115.700 0.239 0.000 2.475 524 S HA 0.558 5.027 4.470 -0.001 0.000 0.298 524 S C 1.096 175.839 174.600 0.238 0.000 1.119 524 S CA -0.056 58.331 58.200 0.312 0.000 1.085 524 S CB 1.417 64.918 63.200 0.502 0.000 1.028 524 S HN 0.895 nan 8.310 nan 0.000 0.489 525 G N 2.234 111.145 108.800 0.185 0.000 2.559 525 G HA2 0.145 4.104 3.960 -0.001 0.000 0.216 525 G HA3 0.145 4.104 3.960 -0.001 0.000 0.216 525 G C 0.649 175.694 174.900 0.242 0.000 1.126 525 G CA 0.602 45.805 45.100 0.173 0.000 0.778 525 G HN 1.240 nan 8.290 nan 0.000 0.543 526 S N -2.026 113.852 115.700 0.296 0.000 3.585 526 S HA -0.188 4.281 4.470 -0.001 0.000 0.638 526 S C -0.540 174.319 174.600 0.431 0.000 2.340 526 S CA 0.697 59.123 58.200 0.376 0.000 2.517 526 S CB -1.070 62.382 63.200 0.421 0.000 0.329 526 S HN 1.048 nan 8.310 nan 0.000 1.795 527 F N 2.934 123.039 119.950 0.258 0.000 2.605 527 F HA 0.593 5.119 4.527 -0.001 0.000 0.320 527 F C -0.297 175.534 175.800 0.051 0.000 1.159 527 F CA -0.379 57.690 58.000 0.114 0.000 0.999 527 F CB 1.360 40.417 39.000 0.095 0.000 1.258 527 F HN 0.878 nan 8.300 nan 0.000 0.464 528 H N 2.511 121.358 119.070 -0.371 0.000 3.037 528 H HA 0.424 4.980 4.556 -0.001 0.000 0.355 528 H C -2.072 172.919 175.328 -0.562 0.000 1.263 528 H CA -1.086 54.505 56.048 -0.761 0.000 1.129 528 H CB 1.873 30.805 29.762 -1.384 0.000 1.861 528 H HN 0.393 nan 8.280 nan 0.000 0.546 529 D N 1.098 121.194 120.400 -0.508 0.000 2.168 529 D HA 0.258 4.898 4.640 -0.001 0.000 0.246 529 D C -0.205 175.961 176.300 -0.224 0.000 1.050 529 D CA -0.218 53.614 54.000 -0.281 0.000 0.857 529 D CB 1.140 41.821 40.800 -0.199 0.000 1.169 529 D HN 0.390 nan 8.370 nan 0.000 0.453 530 H N 0.529 119.623 119.070 0.040 0.000 2.467 530 H HA 0.500 5.055 4.556 -0.001 0.000 0.326 530 H C -0.515 174.875 175.328 0.104 0.000 1.094 530 H CA -0.560 55.574 56.048 0.143 0.000 1.253 530 H CB 1.543 31.436 29.762 0.218 0.000 1.439 530 H HN 0.022 nan 8.280 nan 0.000 0.479 531 V N 4.647 124.722 119.914 0.270 0.000 2.760 531 V HA 0.307 4.427 4.120 -0.001 0.000 0.309 531 V C -0.654 175.694 176.094 0.423 0.000 1.077 531 V CA -0.843 61.639 62.300 0.302 0.000 0.910 531 V CB 2.204 34.166 31.823 0.232 0.000 1.008 531 V HN 0.397 nan 8.190 nan 0.000 0.424 532 L N 3.444 124.883 121.223 0.360 0.000 2.381 532 L HA 0.583 4.923 4.340 -0.001 0.000 0.268 532 L C -0.109 176.782 176.870 0.035 0.000 0.997 532 L CA -0.209 54.723 54.840 0.154 0.000 0.818 532 L CB 1.880 44.009 42.059 0.118 0.000 1.310 532 L HN 0.722 nan 8.230 nan 0.000 0.416 533 N N 1.399 119.824 118.700 -0.460 0.000 2.342 533 N HA 0.404 5.143 4.740 -0.001 0.000 0.293 533 N C -1.795 173.471 175.510 -0.406 0.000 1.026 533 N CA -0.406 52.346 53.050 -0.496 0.000 0.857 533 N CB 1.325 39.014 38.487 -1.330 0.000 1.256 533 N HN 0.439 nan 8.380 nan 0.000 0.484 534 Y N 1.461 121.745 120.300 -0.027 0.000 2.364 534 Y HA 0.259 4.808 4.550 -0.001 0.000 0.340 534 Y C 0.386 176.272 175.900 -0.022 0.000 0.975 534 Y CA -0.770 57.341 58.100 0.019 0.000 1.089 534 Y CB 1.491 40.050 38.460 0.166 0.000 1.192 534 Y HN 0.323 nan 8.280 nan 0.000 0.454 535 K N 3.104 123.512 120.400 0.013 0.000 2.316 535 K HA 0.478 4.798 4.320 -0.001 0.000 0.289 535 K C -1.382 175.081 176.600 -0.228 0.000 1.070 535 K CA -0.214 55.873 56.287 -0.333 0.000 0.928 535 K CB 0.368 32.624 32.500 -0.406 0.000 1.039 535 K HN 0.545 nan 8.250 nan 0.000 0.480 536 V N 4.761 124.511 119.914 -0.274 0.000 2.276 536 V HA 0.042 4.161 4.120 -0.001 0.000 0.268 536 V C -0.500 175.492 176.094 -0.170 0.000 1.032 536 V CA -0.826 61.391 62.300 -0.139 0.000 0.810 536 V CB 0.827 32.614 31.823 -0.059 0.000 1.060 536 V HN 0.746 nan 8.190 nan 0.000 0.446 537 D N 4.376 124.691 120.400 -0.141 0.000 2.558 537 D HA 0.228 4.868 4.640 -0.001 0.000 0.221 537 D C 0.199 176.487 176.300 -0.020 0.000 1.143 537 D CA -0.053 53.910 54.000 -0.062 0.000 1.010 537 D CB 0.167 40.991 40.800 0.041 0.000 1.068 537 D HN 0.402 nan 8.370 nan 0.000 0.511 538 L N 2.065 123.263 121.223 -0.041 0.000 2.453 538 L HA 0.134 4.473 4.340 -0.001 0.000 0.272 538 L C 0.232 177.099 176.870 -0.005 0.000 1.182 538 L CA 0.447 55.261 54.840 -0.044 0.000 0.858 538 L CB 0.583 42.614 42.059 -0.046 0.000 1.120 538 L HN 0.166 nan 8.230 nan 0.000 0.474 539 D N 2.663 123.065 120.400 0.003 0.000 2.378 539 D HA 0.232 4.871 4.640 -0.001 0.000 0.265 539 D C -0.808 175.526 176.300 0.056 0.000 1.229 539 D CA -0.140 53.882 54.000 0.037 0.000 0.914 539 D CB 1.555 42.392 40.800 0.061 0.000 1.140 539 D HN -0.012 nan 8.370 nan 0.000 0.516 540 V N 1.036 120.997 119.914 0.077 0.000 2.368 540 V HA 0.487 4.606 4.120 -0.001 0.000 0.266 540 V C 1.334 177.549 176.094 0.202 0.000 1.045 540 V CA -0.344 62.052 62.300 0.161 0.000 0.899 540 V CB 0.997 32.940 31.823 0.200 0.000 1.006 540 V HN 0.772 nan 8.190 nan 0.000 0.470 541 G N 3.935 112.886 108.800 0.251 0.000 2.350 541 G HA2 0.216 4.175 3.960 -0.001 0.000 0.298 541 G HA3 0.216 4.175 3.960 -0.001 0.000 0.298 541 G C 0.666 175.625 174.900 0.098 0.000 1.037 541 G CA 0.342 45.529 45.100 0.147 0.000 1.074 541 G HN 2.184 nan 8.290 nan 0.000 0.511 542 G N -1.708 107.150 108.800 0.098 0.000 2.592 542 G HA2 0.302 4.261 3.960 -0.001 0.000 0.684 542 G HA3 0.302 4.261 3.960 -0.001 0.000 0.684 542 G C 0.945 175.878 174.900 0.054 0.000 1.291 542 G CA 0.713 45.854 45.100 0.068 0.000 0.891 542 G HN 1.945 nan 8.290 nan 0.000 0.544 543 T N -1.790 112.781 114.554 0.029 0.000 2.896 543 T HA 0.101 4.451 4.350 -0.001 0.000 0.263 543 T C 1.279 175.989 174.700 0.016 0.000 1.050 543 T CA 1.794 63.897 62.100 0.004 0.000 1.140 543 T CB 0.005 68.850 68.868 -0.037 0.000 0.877 543 T HN 0.659 nan 8.240 nan 0.000 0.457 544 K N 2.297 122.712 120.400 0.025 0.000 2.363 544 K HA 0.185 4.504 4.320 -0.001 0.000 0.289 544 K C -0.656 175.970 176.600 0.043 0.000 1.063 544 K CA -0.016 56.289 56.287 0.031 0.000 0.967 544 K CB -0.024 32.493 32.500 0.028 0.000 0.987 544 K HN 0.484 nan 8.250 nan 0.000 0.473 545 N N 2.840 121.569 118.700 0.047 0.000 2.761 545 N HA 0.489 5.229 4.740 -0.001 0.000 0.283 545 N C -1.194 174.348 175.510 0.053 0.000 1.377 545 N CA -1.032 52.052 53.050 0.057 0.000 0.791 545 N CB 1.672 40.196 38.487 0.061 0.000 1.540 545 N HN 0.327 nan 8.380 nan 0.000 0.539 546 R N 0.042 120.576 120.500 0.056 0.000 2.837 546 R HA 0.722 5.062 4.340 -0.001 0.000 0.271 546 R C -1.405 174.923 176.300 0.046 0.000 0.993 546 R CA -0.848 55.280 56.100 0.046 0.000 0.931 546 R CB 2.057 32.380 30.300 0.039 0.000 1.206 546 R HN 0.531 nan 8.270 nan 0.000 0.474 547 A N 0.996 123.837 122.820 0.035 0.000 2.330 547 A HA 0.663 4.983 4.320 -0.001 0.000 0.327 547 A C -0.548 177.037 177.584 0.001 0.000 1.155 547 A CA -0.502 51.552 52.037 0.027 0.000 0.803 547 A CB 1.247 20.267 19.000 0.033 0.000 1.208 547 A HN 0.737 nan 8.150 nan 0.000 0.477 548 S N 1.262 116.951 115.700 -0.017 0.000 2.651 548 S HA 0.847 5.317 4.470 -0.001 0.000 0.279 548 S C -0.942 173.611 174.600 -0.078 0.000 1.148 548 S CA -0.809 57.349 58.200 -0.070 0.000 0.837 548 S CB 1.671 64.802 63.200 -0.115 0.000 1.138 548 S HN 1.061 nan 8.310 nan 0.000 0.478 549 K N 0.111 120.437 120.400 -0.124 0.000 2.464 549 K HA 0.531 4.851 4.320 -0.001 0.000 0.253 549 K C -2.057 174.441 176.600 -0.169 0.000 0.933 549 K CA -0.855 55.385 56.287 -0.079 0.000 0.801 549 K CB 1.162 33.652 32.500 -0.016 0.000 1.271 549 K HN 0.615 nan 8.250 nan 0.000 0.430 550 Y N 1.704 121.986 120.300 -0.031 0.000 2.477 550 Y HA 0.210 4.760 4.550 -0.001 0.000 0.349 550 Y C -0.143 175.766 175.900 0.015 0.000 0.977 550 Y CA -0.605 57.495 58.100 0.001 0.000 1.214 550 Y CB 1.420 39.885 38.460 0.008 0.000 1.124 550 Y HN 0.282 nan 8.280 nan 0.000 0.521 551 V N 6.015 125.990 119.914 0.101 0.000 2.498 551 V HA 0.248 4.368 4.120 -0.001 0.000 0.279 551 V C 0.099 176.254 176.094 0.101 0.000 1.048 551 V CA -0.512 61.837 62.300 0.081 0.000 0.967 551 V CB 0.976 32.824 31.823 0.040 0.000 0.988 551 V HN 0.715 nan 8.190 nan 0.000 0.473 552 M N 6.577 126.229 119.600 0.088 0.000 2.294 552 M HA 0.576 5.056 4.480 -0.001 0.000 0.335 552 M C -0.420 175.917 176.300 0.062 0.000 1.079 552 M CA -0.384 54.965 55.300 0.081 0.000 0.982 552 M CB 1.624 34.269 32.600 0.075 0.000 1.651 552 M HN 0.716 nan 8.290 nan 0.000 0.437 553 K N 1.337 121.771 120.400 0.058 0.000 2.512 553 K HA 0.510 4.830 4.320 -0.001 0.000 0.263 553 K C -1.744 174.883 176.600 0.046 0.000 0.966 553 K CA -1.089 55.225 56.287 0.046 0.000 0.851 553 K CB 2.021 34.544 32.500 0.039 0.000 1.395 553 K HN 0.674 nan 8.250 nan 0.000 0.440 554 D N 1.086 121.510 120.400 0.040 0.000 2.264 554 D HA 0.376 5.016 4.640 -0.001 0.000 0.249 554 D C -0.124 176.195 176.300 0.033 0.000 1.070 554 D CA -0.512 53.513 54.000 0.041 0.000 0.912 554 D CB 1.761 42.586 40.800 0.040 0.000 1.193 554 D HN 0.463 nan 8.370 nan 0.000 0.427 555 V N -1.868 118.066 119.914 0.034 0.000 3.048 555 V HA 0.441 4.560 4.120 -0.001 0.000 0.303 555 V C -1.526 174.575 176.094 0.012 0.000 1.214 555 V CA -1.098 61.212 62.300 0.017 0.000 0.984 555 V CB 2.101 33.930 31.823 0.010 0.000 1.054 555 V HN 0.456 nan 8.190 nan 0.000 0.430 556 D N 2.494 122.890 120.400 -0.006 0.000 2.198 556 D HA 0.722 5.361 4.640 -0.001 0.000 0.245 556 D C 0.074 176.335 176.300 -0.065 0.000 1.079 556 D CA 0.113 54.103 54.000 -0.016 0.000 0.854 556 D CB 1.949 42.739 40.800 -0.017 0.000 1.148 556 D HN 1.156 nan 8.370 nan 0.000 0.456 557 V N -0.712 119.135 119.914 -0.112 0.000 3.181 557 V HA 0.688 4.807 4.120 -0.001 0.000 0.308 557 V C -0.851 175.058 176.094 -0.309 0.000 1.214 557 V CA -0.997 61.156 62.300 -0.246 0.000 1.053 557 V CB 2.501 34.078 31.823 -0.410 0.000 1.069 557 V HN 0.486 nan 8.190 nan 0.000 0.441 558 E N 0.525 120.492 120.200 -0.388 0.000 2.266 558 E HA 0.568 4.917 4.350 -0.001 0.000 0.268 558 E C -2.049 174.210 176.600 -0.570 0.000 0.879 558 E CA -0.751 55.438 56.400 -0.352 0.000 0.762 558 E CB 2.404 32.003 29.700 -0.168 0.000 1.199 558 E HN 0.755 nan 8.360 nan 0.000 0.422 559 Y N 2.569 122.603 120.300 -0.444 0.000 2.420 559 Y HA 0.301 4.851 4.550 -0.001 0.000 0.334 559 Y C -1.441 174.093 175.900 -0.610 0.000 1.094 559 Y CA -2.100 55.554 58.100 -0.743 0.000 1.126 559 Y CB 1.505 38.946 38.460 -1.699 0.000 1.217 559 Y HN 0.514 nan 8.280 nan 0.000 0.462 560 P HA -0.179 nan 4.420 nan 0.000 0.219 560 P C 0.927 178.217 177.300 -0.016 0.000 1.146 560 P CA 1.679 64.722 63.100 -0.095 0.000 0.808 560 P CB 0.003 31.707 31.700 0.005 0.000 0.779 561 W N -1.100 120.255 121.300 0.092 0.000 3.256 561 W HA 0.598 5.258 4.660 -0.001 0.000 0.269 561 W C -0.221 176.344 176.519 0.077 0.000 1.310 561 W CA 0.080 57.456 57.345 0.052 0.000 1.673 561 W CB -0.283 29.175 29.460 -0.003 0.000 1.115 561 W HN -0.084 nan 8.180 nan 0.000 0.686 562 A N 1.621 124.473 122.820 0.053 0.000 3.409 562 A HA 0.470 4.789 4.320 -0.001 0.000 0.282 562 A C -2.787 174.823 177.584 0.043 0.000 1.064 562 A CA -1.056 51.070 52.037 0.148 0.000 0.889 562 A CB -0.066 19.113 19.000 0.299 0.000 1.251 562 A HN -0.240 nan 8.150 nan 0.000 0.538 563 P HA 0.261 nan 4.420 nan 0.000 0.264 563 P C 1.291 178.598 177.300 0.012 0.000 1.183 563 P CA 2.294 65.395 63.100 0.002 0.000 0.763 563 P CB 0.751 32.460 31.700 0.015 0.000 0.807 564 G N 1.782 110.576 108.800 -0.009 0.000 2.184 564 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.264 564 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.264 564 G C 0.229 175.127 174.900 -0.003 0.000 0.975 564 G CA 0.306 45.402 45.100 -0.008 0.000 0.642 564 G HN 0.604 nan 8.290 nan 0.000 0.536 565 T N 1.497 116.064 114.554 0.021 0.000 2.738 565 T HA 0.523 4.873 4.350 -0.001 0.000 0.298 565 T C 0.441 175.156 174.700 0.024 0.000 0.962 565 T CA -0.310 61.801 62.100 0.019 0.000 0.972 565 T CB 2.037 70.959 68.868 0.091 0.000 0.928 565 T HN 0.371 nan 8.240 nan 0.000 0.474 566 V N 4.883 124.767 119.914 -0.049 0.000 2.530 566 V HA 0.302 4.422 4.120 -0.001 0.000 0.282 566 V C -0.645 175.401 176.094 -0.081 0.000 1.048 566 V CA -0.462 61.818 62.300 -0.034 0.000 0.997 566 V CB 0.059 31.854 31.823 -0.047 0.000 0.987 566 V HN 0.727 nan 8.190 nan 0.000 0.477 567 Y N 2.718 122.996 120.300 -0.037 0.000 2.393 567 Y HA 0.336 4.886 4.550 -0.001 0.000 0.341 567 Y C 0.554 176.459 175.900 0.009 0.000 0.988 567 Y CA -0.690 57.434 58.100 0.039 0.000 1.078 567 Y CB 1.513 40.074 38.460 0.169 0.000 1.203 567 Y HN 0.610 nan 8.280 nan 0.000 0.453 568 N N 2.329 121.122 118.700 0.155 0.000 2.420 568 N HA 0.217 4.957 4.740 -0.001 0.000 0.249 568 N C -0.670 174.933 175.510 0.154 0.000 1.033 568 N CA 0.314 53.429 53.050 0.108 0.000 0.944 568 N CB 0.864 39.389 38.487 0.063 0.000 1.113 568 N HN 0.794 nan 8.380 nan 0.000 0.502 569 T N 1.656 116.292 114.554 0.136 0.000 2.573 569 T HA 0.491 4.840 4.350 -0.001 0.000 0.259 569 T C -1.496 173.263 174.700 0.097 0.000 0.886 569 T CA -0.505 61.682 62.100 0.145 0.000 1.110 569 T CB 0.997 69.987 68.868 0.203 0.000 1.421 569 T HN 0.608 nan 8.240 nan 0.000 0.523 570 K N 0.714 121.171 120.400 0.095 0.000 2.469 570 K HA 0.750 5.070 4.320 -0.001 0.000 0.254 570 K C -1.255 175.392 176.600 0.077 0.000 0.939 570 K CA -0.966 55.366 56.287 0.075 0.000 0.812 570 K CB 2.334 34.874 32.500 0.067 0.000 1.301 570 K HN 0.586 nan 8.250 nan 0.000 0.433 571 Q N 1.128 120.971 119.800 0.071 0.000 2.544 571 Q HA 0.552 4.892 4.340 -0.001 0.000 0.291 571 Q C -0.885 175.168 176.000 0.090 0.000 1.068 571 Q CA -1.209 54.641 55.803 0.078 0.000 0.785 571 Q CB 2.657 31.435 28.738 0.067 0.000 1.481 571 Q HN 0.752 nan 8.270 nan 0.000 0.430 572 I N -2.038 118.601 120.570 0.114 0.000 2.693 572 I HA 0.961 5.131 4.170 -0.001 0.000 0.303 572 I C -0.986 175.230 176.117 0.165 0.000 1.025 572 I CA -1.008 60.391 61.300 0.165 0.000 1.086 572 I CB 2.088 40.227 38.000 0.231 0.000 1.268 572 I HN 0.530 nan 8.210 nan 0.000 0.440 573 A N 4.173 127.082 122.820 0.149 0.000 2.408 573 A HA 0.629 4.949 4.320 -0.001 0.000 0.295 573 A C -0.704 176.857 177.584 -0.039 0.000 1.040 573 A CA -0.754 51.326 52.037 0.071 0.000 0.707 573 A CB 1.432 20.452 19.000 0.034 0.000 1.235 573 A HN 0.868 nan 8.150 nan 0.000 0.418 574 R N 2.084 122.481 120.500 -0.171 0.000 2.308 574 R HA 0.432 4.772 4.340 -0.001 0.000 0.305 574 R C -0.877 175.278 176.300 -0.241 0.000 1.053 574 R CA 0.094 55.907 56.100 -0.479 0.000 0.957 574 R CB 0.568 30.486 30.300 -0.637 0.000 1.022 574 R HN 0.759 nan 8.270 nan 0.000 0.461 575 E N 3.382 123.450 120.200 -0.220 0.000 2.199 575 E HA 0.215 4.564 4.350 -0.001 0.000 0.265 575 E C -0.998 175.537 176.600 -0.109 0.000 0.882 575 E CA -0.935 55.395 56.400 -0.117 0.000 0.759 575 E CB 2.568 32.224 29.700 -0.074 0.000 1.148 575 E HN 0.307 nan 8.360 nan 0.000 0.412 576 V N 4.133 124.004 119.914 -0.071 0.000 2.583 576 V HA 0.127 4.247 4.120 -0.001 0.000 0.287 576 V C 0.134 176.213 176.094 -0.025 0.000 1.051 576 V CA -0.455 61.818 62.300 -0.046 0.000 1.010 576 V CB 0.690 32.497 31.823 -0.026 0.000 0.988 576 V HN 0.570 nan 8.190 nan 0.000 0.478 577 L N 5.184 126.399 121.223 -0.014 0.000 2.312 577 L HA 0.271 4.610 4.340 -0.001 0.000 0.287 577 L C 1.420 178.299 176.870 0.015 0.000 1.091 577 L CA 0.041 54.881 54.840 0.000 0.000 0.846 577 L CB 0.341 42.403 42.059 0.004 0.000 1.219 577 L HN 0.652 nan 8.230 nan 0.000 0.439 578 E N 1.828 122.037 120.200 0.015 0.000 2.158 578 E HA 0.004 4.353 4.350 -0.001 0.000 0.191 578 E C 0.103 176.722 176.600 0.031 0.000 0.982 578 E CA 0.952 57.364 56.400 0.020 0.000 0.823 578 E CB 0.307 30.016 29.700 0.015 0.000 0.766 578 E HN 0.427 nan 8.360 nan 0.000 0.468 579 K N 0.146 120.568 120.400 0.037 0.000 2.512 579 K HA 0.252 4.572 4.320 -0.001 0.000 0.263 579 K C -0.861 175.777 176.600 0.064 0.000 0.966 579 K CA -0.520 55.796 56.287 0.048 0.000 0.851 579 K CB 2.006 34.532 32.500 0.043 0.000 1.395 579 K HN -0.172 nan 8.250 nan 0.000 0.440 580 E N 1.272 121.519 120.200 0.079 0.000 2.502 580 E HA -0.067 4.282 4.350 -0.001 0.000 0.261 580 E C -0.696 175.972 176.600 0.113 0.000 0.974 580 E CA 0.589 57.052 56.400 0.105 0.000 0.936 580 E CB 0.388 30.152 29.700 0.106 0.000 0.926 580 E HN 0.278 nan 8.360 nan 0.000 0.459 581 D N 2.796 123.275 120.400 0.131 0.000 2.408 581 D HA 0.042 4.681 4.640 -0.001 0.000 0.243 581 D C -0.033 176.392 176.300 0.209 0.000 1.075 581 D CA -0.596 53.487 54.000 0.139 0.000 0.832 581 D CB 0.718 41.564 40.800 0.076 0.000 1.162 581 D HN 0.337 nan 8.370 nan 0.000 0.515 582 F N 4.360 124.370 119.950 0.101 0.000 2.202 582 F HA -0.138 4.389 4.527 -0.001 0.000 0.301 582 F C 1.320 177.248 175.800 0.213 0.000 1.082 582 F CA 1.531 59.609 58.000 0.131 0.000 1.313 582 F CB -0.010 39.026 39.000 0.060 0.000 1.024 582 F HN 0.441 nan 8.300 nan 0.000 0.495 583 N N 0.099 118.913 118.700 0.189 0.000 2.494 583 N HA 0.163 4.903 4.740 -0.001 0.000 0.182 583 N C 1.026 176.436 175.510 -0.166 0.000 1.076 583 N CA 0.242 53.321 53.050 0.048 0.000 0.908 583 N CB -0.167 38.350 38.487 0.051 0.000 0.967 583 N HN 0.471 nan 8.380 nan 0.000 0.449 584 G N 1.212 109.896 108.800 -0.193 0.000 2.641 584 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.254 584 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.254 584 G C -0.498 174.114 174.900 -0.480 0.000 1.315 584 G CA -0.449 44.231 45.100 -0.699 0.000 0.907 584 G HN 0.139 nan 8.290 nan 0.000 0.572 585 I N 1.110 121.323 120.570 -0.597 0.000 2.498 585 I HA 0.345 4.515 4.170 -0.001 0.000 0.290 585 I C -0.616 175.176 176.117 -0.541 0.000 1.032 585 I CA -0.905 60.123 61.300 -0.453 0.000 1.073 585 I CB 2.104 39.845 38.000 -0.431 0.000 1.251 585 I HN 0.408 nan 8.210 nan 0.000 0.426 586 N N 4.491 122.967 118.700 -0.373 0.000 2.361 586 N HA 0.329 5.068 4.740 -0.001 0.000 0.302 586 N C -1.182 174.202 175.510 -0.210 0.000 1.074 586 N CA -0.521 52.346 53.050 -0.306 0.000 0.850 586 N CB 1.469 39.903 38.487 -0.088 0.000 1.228 586 N HN 0.400 nan 8.380 nan 0.000 0.491 587 W N 2.257 123.556 121.300 -0.002 0.000 2.223 587 W HA 0.151 4.811 4.660 -0.001 0.000 0.334 587 W C -1.254 175.265 176.519 0.001 0.000 1.334 587 W CA -0.971 56.369 57.345 -0.007 0.000 1.246 587 W CB -0.114 29.342 29.460 -0.006 0.000 1.184 587 W HN 0.280 nan 8.180 nan 0.000 0.563 588 P HA -0.018 nan 4.420 nan 0.000 0.271 588 P C -0.484 176.888 177.300 0.119 0.000 1.218 588 P CA -0.229 62.957 63.100 0.143 0.000 0.780 588 P CB 0.757 32.531 31.700 0.123 0.000 0.901 589 E N 2.019 122.269 120.200 0.083 0.000 2.452 589 E HA -0.146 4.204 4.350 -0.001 0.000 0.261 589 E C 0.538 177.170 176.600 0.054 0.000 0.987 589 E CA 0.122 56.560 56.400 0.064 0.000 0.926 589 E CB -0.151 29.577 29.700 0.048 0.000 0.934 589 E HN 0.463 nan 8.360 nan 0.000 0.452 590 N N 2.871 121.596 118.700 0.043 0.000 2.714 590 N HA -0.235 4.504 4.740 -0.001 0.000 0.250 590 N C 0.392 175.919 175.510 0.028 0.000 1.117 590 N CA 1.766 54.834 53.050 0.030 0.000 0.719 590 N CB -1.346 37.157 38.487 0.028 0.000 1.081 590 N HN 0.865 nan 8.380 nan 0.000 0.557 591 G N -0.856 107.966 108.800 0.037 0.000 2.203 591 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.263 591 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.263 591 G C 0.088 175.012 174.900 0.040 0.000 1.012 591 G CA 0.567 45.683 45.100 0.026 0.000 0.749 591 G HN 0.660 nan 8.290 nan 0.000 0.512 592 Q N 0.122 119.955 119.800 0.055 0.000 2.945 592 Q HA 0.456 4.795 4.340 -0.001 0.000 0.323 592 Q C 0.918 176.963 176.000 0.074 0.000 1.188 592 Q CA 0.430 56.268 55.803 0.058 0.000 0.929 592 Q CB 0.125 28.894 28.738 0.053 0.000 1.531 592 Q HN 0.787 nan 8.270 nan 0.000 0.444 593 G N 0.212 109.060 108.800 0.081 0.000 2.579 593 G HA2 0.503 4.462 3.960 -0.001 0.000 0.292 593 G HA3 0.503 4.462 3.960 -0.001 0.000 0.292 593 G C -1.593 173.361 174.900 0.091 0.000 1.484 593 G CA -0.703 44.456 45.100 0.100 0.000 0.813 593 G HN 0.193 nan 8.290 nan 0.000 0.515 594 I N 0.761 121.387 120.570 0.094 0.000 2.466 594 I HA 0.380 4.550 4.170 -0.001 0.000 0.289 594 I C -0.860 175.280 176.117 0.038 0.000 1.026 594 I CA -0.848 60.471 61.300 0.031 0.000 1.078 594 I CB 2.071 40.046 38.000 -0.042 0.000 1.249 594 I HN 0.389 nan 8.210 nan 0.000 0.429 595 L N 8.208 129.468 121.223 0.063 0.000 2.282 595 L HA 0.606 4.946 4.340 -0.001 0.000 0.288 595 L C -1.187 175.685 176.870 0.004 0.000 1.033 595 L CA 0.036 54.923 54.840 0.078 0.000 0.807 595 L CB 0.859 43.048 42.059 0.217 0.000 1.209 595 L HN 0.430 nan 8.230 nan 0.000 0.423 596 L N 5.656 126.868 121.223 -0.020 0.000 2.362 596 L HA 0.553 4.893 4.340 -0.001 0.000 0.271 596 L C -0.855 176.038 176.870 0.038 0.000 1.002 596 L CA -0.908 53.919 54.840 -0.022 0.000 0.818 596 L CB 2.135 44.154 42.059 -0.066 0.000 1.298 596 L HN 0.412 nan 8.230 nan 0.000 0.420 597 I N 2.086 122.704 120.570 0.079 0.000 2.330 597 I HA 0.336 4.506 4.170 -0.001 0.000 0.289 597 I C 0.026 176.219 176.117 0.126 0.000 1.001 597 I CA -0.299 61.055 61.300 0.090 0.000 1.193 597 I CB 1.304 39.356 38.000 0.087 0.000 1.345 597 I HN 0.658 nan 8.210 nan 0.000 0.461 598 E N 3.179 123.445 120.200 0.111 0.000 2.202 598 E HA 0.292 4.642 4.350 -0.001 0.000 0.272 598 E C -0.322 176.350 176.600 0.120 0.000 0.951 598 E CA -0.645 55.836 56.400 0.135 0.000 0.813 598 E CB 2.041 31.809 29.700 0.115 0.000 1.151 598 E HN 0.499 nan 8.360 nan 0.000 0.398 599 S N 1.153 116.935 115.700 0.135 0.000 2.549 599 S HA 0.098 4.568 4.470 -0.001 0.000 0.286 599 S C 1.003 175.650 174.600 0.078 0.000 1.314 599 S CA 0.232 58.494 58.200 0.103 0.000 1.062 599 S CB 0.853 64.111 63.200 0.098 0.000 0.865 599 S HN 0.632 nan 8.310 nan 0.000 0.498 600 A N 4.255 127.112 122.820 0.062 0.000 1.969 600 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 600 A C 1.840 179.451 177.584 0.044 0.000 1.169 600 A CA 1.062 53.129 52.037 0.050 0.000 0.635 600 A CB -0.234 18.791 19.000 0.042 0.000 0.810 600 A HN 0.857 nan 8.150 nan 0.000 0.445 601 E N -0.422 119.802 120.200 0.041 0.000 2.474 601 E HA 0.104 4.453 4.350 -0.001 0.000 0.215 601 E C -0.172 176.444 176.600 0.026 0.000 0.867 601 E CA -0.020 56.399 56.400 0.031 0.000 1.135 601 E CB 0.067 29.782 29.700 0.025 0.000 1.147 601 E HN 0.699 nan 8.360 nan 0.000 0.534 602 E N 2.032 122.249 120.200 0.028 0.000 2.313 602 E HA 0.245 4.595 4.350 -0.001 0.000 0.276 602 E C -0.005 176.603 176.600 0.012 0.000 1.031 602 E CA 0.071 56.476 56.400 0.009 0.000 0.857 602 E CB 1.016 30.714 29.700 -0.003 0.000 1.040 602 E HN 0.020 nan 8.360 nan 0.000 0.408 603 T N -0.228 114.322 114.554 -0.007 0.000 2.916 603 T HA 0.345 4.695 4.350 -0.001 0.000 0.292 603 T C -0.007 174.665 174.700 -0.046 0.000 1.064 603 T CA -1.223 60.875 62.100 -0.003 0.000 1.011 603 T CB 1.295 70.168 68.868 0.008 0.000 1.152 603 T HN 0.490 nan 8.240 nan 0.000 0.510 604 N N 0.105 118.779 118.700 -0.043 0.000 2.374 604 N HA 0.224 4.963 4.740 -0.001 0.000 0.284 604 N C 0.947 176.330 175.510 -0.212 0.000 1.280 604 N CA -0.618 52.370 53.050 -0.104 0.000 0.963 604 N CB -0.401 38.059 38.487 -0.046 0.000 1.141 604 N HN 0.507 nan 8.380 nan 0.000 0.565 605 S N -1.423 114.000 115.700 -0.462 0.000 2.507 605 S HA 0.073 4.543 4.470 -0.001 0.000 0.235 605 S C 0.431 174.586 174.600 -0.740 0.000 0.988 605 S CA 0.578 58.361 58.200 -0.694 0.000 0.944 605 S CB -0.702 61.939 63.200 -0.931 0.000 0.762 605 S HN 0.537 nan 8.310 nan 0.000 0.526 606 F N 0.422 120.376 119.950 0.006 0.000 2.684 606 F HA 0.403 4.930 4.527 -0.001 0.000 0.298 606 F C 1.605 177.416 175.800 0.018 0.000 1.120 606 F CA -0.203 57.801 58.000 0.007 0.000 1.332 606 F CB 0.099 39.098 39.000 -0.003 0.000 0.986 606 F HN 0.202 nan 8.300 nan 0.000 0.524 607 G N 0.412 109.261 108.800 0.081 0.000 2.162 607 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 607 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 607 G C -0.061 174.897 174.900 0.097 0.000 0.976 607 G CA -0.373 44.773 45.100 0.076 0.000 0.655 607 G HN 0.336 nan 8.290 nan 0.000 0.533 608 N N 1.445 120.214 118.700 0.116 0.000 2.479 608 N HA 0.428 5.167 4.740 -0.001 0.000 0.285 608 N C -2.760 172.823 175.510 0.122 0.000 1.075 608 N CA -1.323 51.810 53.050 0.140 0.000 0.967 608 N CB 1.349 39.929 38.487 0.155 0.000 1.137 608 N HN 0.022 nan 8.380 nan 0.000 0.472 609 P HA 0.015 nan 4.420 nan 0.000 0.262 609 P C -0.083 177.311 177.300 0.157 0.000 1.182 609 P CA 0.284 63.464 63.100 0.133 0.000 0.761 609 P CB 0.528 32.316 31.700 0.146 0.000 0.795 610 R N 2.246 122.815 120.500 0.115 0.000 2.489 610 R HA 0.511 4.851 4.340 -0.001 0.000 0.287 610 R C 0.211 176.671 176.300 0.265 0.000 1.053 610 R CA 0.185 56.368 56.100 0.140 0.000 1.036 610 R CB 0.305 30.619 30.300 0.023 0.000 0.966 610 R HN 0.501 nan 8.270 nan 0.000 0.432 611 A N 2.889 125.916 122.820 0.345 0.000 2.593 611 A HA 0.600 4.920 4.320 -0.001 0.000 0.290 611 A C -1.921 175.849 177.584 0.309 0.000 1.126 611 A CA -0.628 51.609 52.037 0.334 0.000 0.695 611 A CB 1.286 20.467 19.000 0.301 0.000 1.290 611 A HN 0.590 nan 8.150 nan 0.000 0.414 612 Y N 0.570 120.926 120.300 0.093 0.000 2.425 612 Y HA 0.518 5.067 4.550 -0.001 0.000 0.344 612 Y C 0.093 176.009 175.900 0.027 0.000 0.969 612 Y CA -0.604 57.514 58.100 0.031 0.000 1.052 612 Y CB 2.125 40.554 38.460 -0.052 0.000 1.215 612 Y HN 0.774 nan 8.280 nan 0.000 0.451 613 N N 3.386 122.137 118.700 0.085 0.000 2.426 613 N HA 0.321 5.061 4.740 -0.001 0.000 0.275 613 N C -1.238 174.320 175.510 0.079 0.000 1.019 613 N CA -0.175 52.881 53.050 0.011 0.000 0.941 613 N CB 0.525 38.991 38.487 -0.035 0.000 1.123 613 N HN 0.578 nan 8.380 nan 0.000 0.486 614 I N 3.584 124.208 120.570 0.090 0.000 2.291 614 I HA 0.201 4.371 4.170 -0.001 0.000 0.292 614 I C 0.250 176.385 176.117 0.031 0.000 1.064 614 I CA -0.110 61.264 61.300 0.123 0.000 1.269 614 I CB 0.447 38.549 38.000 0.170 0.000 1.418 614 I HN 0.389 nan 8.210 nan 0.000 0.485 615 M N 9.527 129.100 119.600 -0.044 0.000 2.066 615 M HA 0.397 4.877 4.480 -0.001 0.000 0.340 615 M C -2.378 173.726 176.300 -0.326 0.000 1.053 615 M CA -1.847 53.326 55.300 -0.211 0.000 0.983 615 M CB 1.751 34.276 32.600 -0.125 0.000 1.520 615 M HN 0.201 nan 8.290 nan 0.000 0.428 616 P HA 0.208 nan 4.420 nan 0.000 0.271 616 P C -0.542 176.530 177.300 -0.381 0.000 1.218 616 P CA 0.006 62.685 63.100 -0.703 0.000 0.780 616 P CB 1.180 31.973 31.700 -1.511 0.000 0.901 617 G N 1.241 109.897 108.800 -0.240 0.000 3.122 617 G HA2 0.588 4.547 3.960 -0.001 0.000 0.180 617 G HA3 0.588 4.547 3.960 -0.001 0.000 0.180 617 G C -0.025 174.760 174.900 -0.191 0.000 1.279 617 G CA -0.622 44.358 45.100 -0.199 0.000 0.987 617 G HN 0.587 nan 8.290 nan 0.000 0.589 618 G N -2.009 106.673 108.800 -0.197 0.000 2.594 618 G HA2 0.498 4.457 3.960 -0.001 0.000 0.243 618 G HA3 0.498 4.457 3.960 -0.001 0.000 0.243 618 G C 1.119 175.921 174.900 -0.163 0.000 1.229 618 G CA 0.810 45.808 45.100 -0.170 0.000 0.843 618 G HN 1.966 nan 8.290 nan 0.000 0.578 619 G N -0.957 107.781 108.800 -0.103 0.000 2.160 619 G HA2 0.049 4.008 3.960 -0.001 0.000 0.244 619 G HA3 0.049 4.008 3.960 -0.001 0.000 0.244 619 G C 0.819 175.724 174.900 0.008 0.000 1.022 619 G CA 0.575 45.634 45.100 -0.069 0.000 0.741 619 G HN 1.667 nan 8.290 nan 0.000 0.508 620 G N -0.088 108.734 108.800 0.037 0.000 3.316 620 G HA2 0.617 4.576 3.960 -0.001 0.000 0.255 620 G HA3 0.617 4.576 3.960 -0.001 0.000 0.255 620 G C 0.416 175.435 174.900 0.198 0.000 0.880 620 G CA 0.532 45.753 45.100 0.203 0.000 1.956 620 G HN 1.706 nan 8.290 nan 0.000 0.634 621 V N -1.070 118.889 119.914 0.075 0.000 3.001 621 V HA 0.936 5.056 4.120 -0.001 0.000 0.314 621 V C -0.487 175.608 176.094 0.002 0.000 1.099 621 V CA -1.329 60.942 62.300 -0.048 0.000 0.989 621 V CB 1.698 33.365 31.823 -0.260 0.000 1.040 621 V HN 0.629 nan 8.190 nan 0.000 0.434 622 H N 0.387 119.507 119.070 0.083 0.000 2.927 622 H HA 0.741 5.297 4.556 -0.001 0.000 0.316 622 H C -0.155 175.226 175.328 0.089 0.000 1.403 622 H CA -1.195 54.889 56.048 0.060 0.000 1.288 622 H CB 0.728 30.502 29.762 0.019 0.000 1.944 622 H HN 0.705 nan 8.280 nan 0.000 0.629 623 R N 0.096 120.741 120.500 0.241 0.000 2.585 623 R HA 0.047 4.387 4.340 -0.001 0.000 0.275 623 R C 0.697 177.086 176.300 0.149 0.000 1.018 623 R CA 0.398 56.559 56.100 0.101 0.000 1.072 623 R CB 0.283 30.567 30.300 -0.028 0.000 0.953 623 R HN 0.608 nan 8.270 nan 0.000 0.419 624 I N 1.890 122.458 120.570 -0.003 0.000 2.277 624 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 624 I C 0.637 176.729 176.117 -0.042 0.000 1.094 624 I CA 0.708 61.973 61.300 -0.059 0.000 1.393 624 I CB 0.044 37.935 38.000 -0.180 0.000 1.078 624 I HN 0.291 nan 8.210 nan 0.000 0.417 625 V N 2.707 122.565 119.914 -0.093 0.000 2.740 625 V HA -0.038 4.081 4.120 -0.001 0.000 0.303 625 V C 1.095 177.165 176.094 -0.040 0.000 1.054 625 V CA 0.338 62.591 62.300 -0.078 0.000 1.106 625 V CB 0.898 32.642 31.823 -0.131 0.000 0.957 625 V HN 0.283 nan 8.190 nan 0.000 0.486 626 K N 2.567 122.955 120.400 -0.019 0.000 2.329 626 K HA 0.195 4.515 4.320 -0.001 0.000 0.198 626 K C 0.266 176.865 176.600 -0.002 0.000 1.085 626 K CA 0.560 56.843 56.287 -0.007 0.000 0.961 626 K CB 0.129 32.632 32.500 0.006 0.000 0.971 626 K HN 0.660 nan 8.250 nan 0.000 0.502 627 N N 0.966 119.667 118.700 0.002 0.000 2.762 627 N HA 0.091 4.831 4.740 -0.001 0.000 0.252 627 N C -1.446 174.072 175.510 0.013 0.000 1.269 627 N CA -0.121 52.934 53.050 0.010 0.000 0.799 627 N CB 1.566 40.061 38.487 0.014 0.000 1.173 627 N HN -0.113 nan 8.380 nan 0.000 0.516 628 S N 0.698 116.417 115.700 0.031 0.000 2.499 628 S HA 0.261 4.730 4.470 -0.001 0.000 0.279 628 S C 1.271 175.885 174.600 0.023 0.000 1.219 628 S CA -0.527 57.706 58.200 0.054 0.000 1.062 628 S CB 0.862 64.182 63.200 0.199 0.000 0.978 628 S HN 0.462 nan 8.310 nan 0.000 0.489 629 R N 2.629 123.143 120.500 0.024 0.000 2.237 629 R HA 0.021 4.361 4.340 -0.001 0.000 0.219 629 R C 1.300 177.597 176.300 -0.005 0.000 1.080 629 R CA 1.062 57.178 56.100 0.026 0.000 0.995 629 R CB -0.078 30.257 30.300 0.058 0.000 0.875 629 R HN 0.501 nan 8.270 nan 0.000 0.462 630 S N -0.893 114.826 115.700 0.032 0.000 2.556 630 S HA 0.157 4.627 4.470 -0.001 0.000 0.216 630 S C 0.602 175.079 174.600 -0.205 0.000 0.970 630 S CA 0.265 58.468 58.200 0.005 0.000 0.912 630 S CB 1.530 64.806 63.200 0.127 0.000 0.790 630 S HN 0.465 nan 8.310 nan 0.000 0.504 631 G N 2.069 110.717 108.800 -0.254 0.000 4.220 631 G HA2 0.365 4.325 3.960 -0.001 0.000 0.256 631 G HA3 0.365 4.325 3.960 -0.001 0.000 0.256 631 G C -2.604 172.096 174.900 -0.334 0.000 1.520 631 G CA -0.614 44.142 45.100 -0.573 0.000 0.608 631 G HN 0.041 nan 8.290 nan 0.000 0.415 632 P HA 0.001 nan 4.420 nan 0.000 0.216 632 P C 1.038 178.197 177.300 -0.236 0.000 1.153 632 P CA 1.247 64.165 63.100 -0.303 0.000 0.844 632 P CB 0.546 31.894 31.700 -0.587 0.000 0.787 633 E N -2.576 117.453 120.200 -0.286 0.000 2.676 633 E HA 0.074 4.423 4.350 -0.001 0.000 0.225 633 E C 1.105 177.593 176.600 -0.188 0.000 0.944 633 E CA 0.481 56.772 56.400 -0.182 0.000 1.156 633 E CB -0.282 29.349 29.700 -0.115 0.000 1.117 633 E HN 0.298 nan 8.360 nan 0.000 0.523 634 T N -1.176 113.223 114.554 -0.258 0.000 3.081 634 T HA 0.067 4.416 4.350 -0.001 0.000 0.255 634 T C 1.042 175.634 174.700 -0.180 0.000 1.113 634 T CA 0.403 62.371 62.100 -0.220 0.000 1.082 634 T CB 0.203 68.894 68.868 -0.295 0.000 0.939 634 T HN -0.151 nan 8.240 nan 0.000 0.506 635 Q N 0.534 120.168 119.800 -0.277 0.000 2.458 635 Q HA 0.310 4.649 4.340 -0.001 0.000 0.332 635 Q C -0.078 175.486 176.000 -0.727 0.000 0.825 635 Q CA -0.266 55.287 55.803 -0.417 0.000 1.076 635 Q CB 0.381 28.880 28.738 -0.399 0.000 1.394 635 Q HN 0.285 nan 8.270 nan 0.000 0.393 636 N N 0.538 118.986 118.700 -0.420 0.000 2.520 636 N HA -0.090 4.650 4.740 -0.001 0.000 0.185 636 N C 1.299 176.529 175.510 -0.467 0.000 1.068 636 N CA 0.706 53.550 53.050 -0.344 0.000 0.911 636 N CB 0.105 38.500 38.487 -0.154 0.000 0.961 636 N HN 0.584 nan 8.380 nan 0.000 0.446 637 W N -0.278 120.656 121.300 -0.610 0.000 2.800 637 W HA 0.321 4.980 4.660 -0.001 0.000 0.249 637 W C 0.866 177.192 176.519 -0.321 0.000 1.294 637 W CA 0.150 56.850 57.345 -1.074 0.000 1.402 637 W CB -0.551 27.939 29.460 -1.616 0.000 1.126 637 W HN -0.061 nan 8.180 nan 0.000 0.652 638 A N 2.035 124.278 122.820 -0.961 0.000 2.307 638 A HA 0.053 4.373 4.320 -0.001 0.000 0.218 638 A C 2.045 179.486 177.584 -0.237 0.000 1.228 638 A CA 0.094 51.681 52.037 -0.750 0.000 0.857 638 A CB -0.670 17.552 19.000 -1.298 0.000 0.897 638 A HN 0.428 nan 8.150 nan 0.000 0.495 639 R N -1.505 118.898 120.500 -0.161 0.000 2.312 639 R HA 0.297 4.636 4.340 -0.001 0.000 0.205 639 R C -0.188 175.812 176.300 -0.501 0.000 0.904 639 R CA 0.558 56.534 56.100 -0.206 0.000 1.052 639 R CB 0.066 30.277 30.300 -0.149 0.000 1.014 639 R HN 0.224 nan 8.270 nan 0.000 0.503 640 S N -0.040 115.467 115.700 -0.321 0.000 2.697 640 S HA 0.264 4.734 4.470 -0.001 0.000 0.289 640 S C -0.287 174.171 174.600 -0.236 0.000 1.149 640 S CA -0.888 56.988 58.200 -0.540 0.000 0.850 640 S CB 1.951 64.717 63.200 -0.722 0.000 1.151 640 S HN 0.169 nan 8.310 nan 0.000 0.491 641 N N 0.007 118.555 118.700 -0.253 0.000 2.270 641 N HA 0.206 4.945 4.740 -0.001 0.000 0.181 641 N C 0.064 175.407 175.510 -0.279 0.000 1.016 641 N CA 0.640 53.562 53.050 -0.212 0.000 0.870 641 N CB 0.182 38.333 38.487 -0.561 0.000 0.979 641 N HN 0.415 nan 8.380 nan 0.000 0.431 642 L N -1.096 119.838 121.223 -0.482 0.000 2.653 642 L HA 0.473 4.813 4.340 -0.001 0.000 0.257 642 L C -1.921 174.687 176.870 -0.437 0.000 0.969 642 L CA -0.754 53.903 54.840 -0.305 0.000 0.869 642 L CB 1.338 43.151 42.059 -0.410 0.000 1.439 642 L HN -0.196 nan 8.230 nan 0.000 0.414 643 F N 2.734 122.759 119.950 0.126 0.000 2.565 643 F HA 0.627 5.153 4.527 -0.001 0.000 0.313 643 F C -0.748 175.240 175.800 0.313 0.000 1.091 643 F CA -0.515 57.615 58.000 0.217 0.000 0.915 643 F CB 2.169 41.411 39.000 0.403 0.000 1.208 643 F HN 0.170 nan 8.300 nan 0.000 0.453 644 L N 2.583 124.042 121.223 0.393 0.000 2.313 644 L HA 0.742 5.082 4.340 -0.001 0.000 0.283 644 L C -0.196 176.882 176.870 0.346 0.000 1.013 644 L CA -0.520 54.513 54.840 0.321 0.000 0.816 644 L CB 1.931 44.087 42.059 0.162 0.000 1.236 644 L HN 0.768 nan 8.230 nan 0.000 0.419 645 T N -0.965 113.823 114.554 0.389 0.000 2.901 645 T HA 0.375 4.725 4.350 -0.001 0.000 0.293 645 T C -0.643 174.187 174.700 0.216 0.000 1.084 645 T CA -1.043 61.237 62.100 0.300 0.000 1.008 645 T CB 2.083 71.174 68.868 0.371 0.000 1.170 645 T HN 0.467 nan 8.240 nan 0.000 0.509 646 K N 1.526 122.010 120.400 0.139 0.000 2.339 646 K HA 0.065 4.385 4.320 -0.001 0.000 0.286 646 K C 0.282 176.945 176.600 0.104 0.000 1.050 646 K CA -0.518 55.836 56.287 0.111 0.000 0.956 646 K CB 0.232 32.774 32.500 0.071 0.000 0.990 646 K HN 0.799 nan 8.250 nan 0.000 0.475 647 H N 4.611 123.710 119.070 0.049 0.000 3.001 647 H HA 0.031 4.587 4.556 -0.001 0.000 0.334 647 H C -1.034 174.300 175.328 0.010 0.000 1.034 647 H CA 1.124 57.193 56.048 0.033 0.000 1.420 647 H CB 0.498 30.267 29.762 0.011 0.000 1.405 647 H HN 0.561 nan 8.280 nan 0.000 0.593 648 K N 4.234 124.244 120.400 -0.651 0.000 2.525 648 K HA 0.090 4.409 4.320 -0.001 0.000 0.254 648 K C 0.106 176.440 176.600 -0.442 0.000 0.934 648 K CA -0.848 55.202 56.287 -0.396 0.000 0.802 648 K CB 1.808 34.183 32.500 -0.208 0.000 1.295 648 K HN 0.530 nan 8.250 nan 0.000 0.433 649 D N 1.850 122.167 120.400 -0.140 0.000 2.218 649 D HA -0.177 4.463 4.640 -0.001 0.000 0.204 649 D C 1.358 177.791 176.300 0.221 0.000 0.976 649 D CA 1.381 55.419 54.000 0.063 0.000 0.853 649 D CB 0.441 41.288 40.800 0.078 0.000 0.939 649 D HN 0.629 nan 8.370 nan 0.000 0.481 650 E N 0.952 121.244 120.200 0.154 0.000 2.427 650 E HA -0.108 4.242 4.350 -0.001 0.000 0.196 650 E C 0.164 176.823 176.600 0.099 0.000 1.028 650 E CA 0.524 57.085 56.400 0.270 0.000 0.864 650 E CB -0.267 29.532 29.700 0.166 0.000 0.813 650 E HN 0.300 nan 8.360 nan 0.000 0.514 651 E N 1.104 121.234 120.200 -0.116 0.000 2.989 651 E HA 0.117 4.467 4.350 -0.001 0.000 0.224 651 E C 0.512 177.068 176.600 -0.072 0.000 1.175 651 E CA -0.277 55.870 56.400 -0.421 0.000 1.300 651 E CB 0.593 29.607 29.700 -1.144 0.000 1.422 651 E HN 0.046 nan 8.360 nan 0.000 0.439 652 L N 1.583 122.891 121.223 0.141 0.000 2.109 652 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 652 L C 0.581 177.639 176.870 0.312 0.000 1.086 652 L CA 1.585 56.555 54.840 0.217 0.000 0.760 652 L CB 0.076 42.239 42.059 0.172 0.000 0.910 652 L HN 0.192 nan 8.230 nan 0.000 0.437 653 R N -2.405 118.301 120.500 0.343 0.000 2.668 653 R HA 0.400 4.740 4.340 -0.001 0.000 0.272 653 R C 0.289 176.777 176.300 0.314 0.000 1.019 653 R CA 0.188 56.484 56.100 0.326 0.000 0.894 653 R CB 0.809 31.160 30.300 0.085 0.000 1.228 653 R HN -0.018 nan 8.270 nan 0.000 0.460 654 S N -0.162 115.637 115.700 0.164 0.000 2.528 654 S HA 0.074 4.543 4.470 -0.001 0.000 0.219 654 S C 0.642 175.183 174.600 -0.099 0.000 0.985 654 S CA 0.295 58.445 58.200 -0.083 0.000 0.914 654 S CB 0.170 63.126 63.200 -0.407 0.000 0.776 654 S HN 0.600 nan 8.310 nan 0.000 0.526 655 S N 0.201 115.860 115.700 -0.068 0.000 2.705 655 S HA 0.730 5.199 4.470 -0.001 0.000 0.280 655 S C -1.068 173.515 174.600 -0.030 0.000 1.174 655 S CA -0.027 58.162 58.200 -0.018 0.000 0.823 655 S CB 1.409 64.606 63.200 -0.004 0.000 1.162 655 S HN 0.692 nan 8.310 nan 0.000 0.487 656 T N -1.335 113.204 114.554 -0.024 0.000 2.843 656 T HA 0.729 5.079 4.350 -0.001 0.000 0.302 656 T C 0.748 175.413 174.700 -0.059 0.000 1.232 656 T CA -0.098 61.970 62.100 -0.054 0.000 1.009 656 T CB 1.002 69.866 68.868 -0.006 0.000 1.254 656 T HN 1.001 nan 8.240 nan 0.000 0.504 657 A N 0.330 123.080 122.820 -0.117 0.000 2.172 657 A HA 0.279 4.598 4.320 -0.001 0.000 0.216 657 A C 1.801 179.398 177.584 0.022 0.000 1.154 657 A CA 0.665 52.636 52.037 -0.111 0.000 0.701 657 A CB -0.857 17.921 19.000 -0.369 0.000 0.789 657 A HN 0.772 nan 8.150 nan 0.000 0.465 658 L N -1.061 120.177 121.223 0.025 0.000 2.607 658 L HA 0.123 4.462 4.340 -0.001 0.000 0.228 658 L C 1.529 178.408 176.870 0.014 0.000 1.123 658 L CA -0.113 54.752 54.840 0.043 0.000 0.890 658 L CB -0.198 41.892 42.059 0.051 0.000 1.103 658 L HN 0.206 nan 8.230 nan 0.000 0.468 659 N N -0.327 118.374 118.700 0.002 0.000 2.250 659 N HA -0.132 4.607 4.740 -0.001 0.000 0.181 659 N C 1.920 177.393 175.510 -0.061 0.000 1.017 659 N CA 1.263 54.299 53.050 -0.025 0.000 0.866 659 N CB -0.017 38.458 38.487 -0.021 0.000 0.985 659 N HN 0.024 nan 8.380 nan 0.000 0.429 660 T N 0.507 115.029 114.554 -0.054 0.000 2.720 660 T HA -0.078 4.271 4.350 -0.001 0.000 0.268 660 T C 1.226 175.855 174.700 -0.119 0.000 1.037 660 T CA 1.297 63.341 62.100 -0.094 0.000 1.144 660 T CB -0.151 68.687 68.868 -0.049 0.000 0.864 660 T HN 0.230 nan 8.240 nan 0.000 0.444 661 N N 0.851 119.494 118.700 -0.096 0.000 2.353 661 N HA 0.189 4.929 4.740 -0.001 0.000 0.185 661 N C 0.400 175.865 175.510 -0.076 0.000 1.098 661 N CA 0.259 53.252 53.050 -0.096 0.000 0.872 661 N CB 0.163 38.584 38.487 -0.111 0.000 0.970 661 N HN 0.370 nan 8.380 nan 0.000 0.467 662 A N 1.361 124.138 122.820 -0.072 0.000 3.078 662 A HA 0.296 4.615 4.320 -0.001 0.000 0.279 662 A C 1.396 178.938 177.584 -0.070 0.000 1.594 662 A CA -0.369 51.647 52.037 -0.035 0.000 1.301 662 A CB -0.653 18.336 19.000 -0.018 0.000 1.162 662 A HN 0.135 nan 8.150 nan 0.000 0.585 663 L N -0.465 120.699 121.223 -0.099 0.000 2.079 663 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 663 L C 1.739 178.301 176.870 -0.513 0.000 1.081 663 L CA 1.755 56.393 54.840 -0.337 0.000 0.752 663 L CB -0.482 41.316 42.059 -0.434 0.000 0.896 663 L HN 0.780 nan 8.230 nan 0.000 0.433 664 Y N -2.163 118.127 120.300 -0.017 0.000 2.535 664 Y HA 0.079 4.628 4.550 -0.001 0.000 0.266 664 Y C 0.852 176.744 175.900 -0.014 0.000 1.088 664 Y CA -0.101 57.988 58.100 -0.017 0.000 1.285 664 Y CB 0.469 38.924 38.460 -0.008 0.000 1.166 664 Y HN 0.010 nan 8.280 nan 0.000 0.525 665 D N 0.823 121.292 120.400 0.115 0.000 2.739 665 D HA 0.196 4.836 4.640 -0.001 0.000 0.335 665 D C -2.913 173.404 176.300 0.028 0.000 1.216 665 D CA -2.402 51.638 54.000 0.066 0.000 0.808 665 D CB 0.566 41.414 40.800 0.079 0.000 1.121 665 D HN -0.052 nan 8.370 nan 0.000 0.499 666 P HA 0.158 nan 4.420 nan 0.000 0.272 666 P C -1.989 175.316 177.300 0.008 0.000 1.223 666 P CA -1.073 62.020 63.100 -0.012 0.000 0.784 666 P CB 1.174 32.848 31.700 -0.043 0.000 0.923 667 P HA -0.145 nan 4.420 nan 0.000 0.216 667 P C 0.216 177.545 177.300 0.049 0.000 1.157 667 P CA 1.450 64.576 63.100 0.043 0.000 0.880 667 P CB 0.070 31.812 31.700 0.069 0.000 0.791 668 V N 0.277 120.214 119.914 0.039 0.000 2.409 668 V HA 0.302 4.422 4.120 -0.001 0.000 0.291 668 V C -0.096 175.976 176.094 -0.037 0.000 1.020 668 V CA -0.838 61.478 62.300 0.027 0.000 0.848 668 V CB 1.333 33.191 31.823 0.058 0.000 0.990 668 V HN 0.004 nan 8.190 nan 0.000 0.430 669 N N 3.701 122.355 118.700 -0.077 0.000 2.501 669 N HA 0.187 4.926 4.740 -0.001 0.000 0.245 669 N C 0.530 175.866 175.510 -0.290 0.000 0.974 669 N CA -0.551 52.427 53.050 -0.121 0.000 0.941 669 N CB 0.990 39.429 38.487 -0.079 0.000 1.122 669 N HN 0.572 nan 8.380 nan 0.000 0.507 670 F N 4.653 124.284 119.950 -0.531 0.000 2.154 670 F HA -0.162 4.365 4.527 -0.001 0.000 0.301 670 F C 1.385 176.660 175.800 -0.875 0.000 1.087 670 F CA 1.464 58.868 58.000 -0.993 0.000 1.274 670 F CB 0.086 38.657 39.000 -0.716 0.000 1.009 670 F HN 0.487 nan 8.300 nan 0.000 0.485 671 N N 0.798 119.222 118.700 -0.460 0.000 2.364 671 N HA -0.123 4.617 4.740 -0.001 0.000 0.183 671 N C 1.945 177.303 175.510 -0.253 0.000 1.022 671 N CA 1.044 53.892 53.050 -0.337 0.000 0.883 671 N CB -0.662 37.823 38.487 -0.002 0.000 0.965 671 N HN 0.440 nan 8.380 nan 0.000 0.438 672 A N 0.250 122.918 122.820 -0.253 0.000 2.076 672 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 672 A C 1.397 178.993 177.584 0.018 0.000 1.160 672 A CA 0.808 52.800 52.037 -0.076 0.000 0.653 672 A CB -0.623 18.374 19.000 -0.006 0.000 0.801 672 A HN 0.140 nan 8.150 nan 0.000 0.455 673 F N -0.511 119.199 119.950 -0.399 0.000 2.502 673 F HA 0.166 4.693 4.527 -0.001 0.000 0.298 673 F C 0.789 176.421 175.800 -0.279 0.000 1.111 673 F CA -0.176 57.587 58.000 -0.395 0.000 1.445 673 F CB -0.735 37.840 39.000 -0.708 0.000 1.081 673 F HN 0.030 nan 8.300 nan 0.000 0.558 674 L N 2.165 123.336 121.223 -0.088 0.000 2.353 674 L HA 0.226 4.566 4.340 -0.001 0.000 0.269 674 L C -0.367 176.551 176.870 0.080 0.000 1.085 674 L CA -0.303 54.535 54.840 -0.004 0.000 0.938 674 L CB 0.035 42.075 42.059 -0.030 0.000 1.312 674 L HN -0.018 nan 8.230 nan 0.000 0.429 675 D N -0.749 119.688 120.400 0.062 0.000 2.819 675 D HA 0.064 4.703 4.640 -0.001 0.000 0.326 675 D C 0.031 176.361 176.300 0.050 0.000 1.408 675 D CA -0.533 53.498 54.000 0.053 0.000 0.811 675 D CB 0.201 41.021 40.800 0.034 0.000 1.148 675 D HN 0.257 nan 8.370 nan 0.000 0.457 676 D N 0.196 120.636 120.400 0.067 0.000 2.945 676 D HA -0.173 4.467 4.640 -0.001 0.000 0.225 676 D C -0.481 175.848 176.300 0.048 0.000 1.158 676 D CA 0.781 54.817 54.000 0.060 0.000 0.805 676 D CB -1.072 39.756 40.800 0.046 0.000 1.098 676 D HN 0.575 nan 8.370 nan 0.000 0.426 677 E N 0.528 120.758 120.200 0.049 0.000 2.383 677 E HA 0.247 4.596 4.350 -0.001 0.000 0.264 677 E C 0.420 177.048 176.600 0.047 0.000 1.050 677 E CA -0.135 56.290 56.400 0.043 0.000 0.896 677 E CB 0.831 30.555 29.700 0.040 0.000 0.982 677 E HN 0.024 nan 8.360 nan 0.000 0.424 678 S N 1.943 117.667 115.700 0.039 0.000 2.558 678 S HA 0.006 4.476 4.470 -0.001 0.000 0.288 678 S C 0.567 175.194 174.600 0.046 0.000 1.318 678 S CA -0.165 58.059 58.200 0.039 0.000 1.056 678 S CB 0.217 63.436 63.200 0.031 0.000 0.853 678 S HN 0.463 nan 8.310 nan 0.000 0.505 679 L N 2.891 124.142 121.223 0.048 0.000 2.808 679 L HA 0.319 4.659 4.340 -0.001 0.000 0.246 679 L C 0.309 177.205 176.870 0.044 0.000 1.153 679 L CA -0.101 54.772 54.840 0.054 0.000 0.956 679 L CB 0.273 42.369 42.059 0.061 0.000 1.270 679 L HN 0.542 nan 8.230 nan 0.000 0.528 680 D N 1.896 122.318 120.400 0.037 0.000 2.494 680 D HA 0.326 4.965 4.640 -0.001 0.000 0.217 680 D C 0.711 177.030 176.300 0.031 0.000 1.153 680 D CA 0.210 54.229 54.000 0.031 0.000 0.954 680 D CB 0.457 41.272 40.800 0.024 0.000 1.034 680 D HN 0.276 nan 8.370 nan 0.000 0.518 681 G N 3.099 111.920 108.800 0.035 0.000 2.638 681 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.269 681 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.269 681 G C -0.342 174.579 174.900 0.036 0.000 1.141 681 G CA -0.455 44.666 45.100 0.034 0.000 1.081 681 G HN 0.429 nan 8.290 nan 0.000 0.527 682 E N -0.472 119.753 120.200 0.041 0.000 2.445 682 E HA 0.337 4.686 4.350 -0.001 0.000 0.279 682 E C -1.320 175.310 176.600 0.049 0.000 1.018 682 E CA -0.940 55.487 56.400 0.045 0.000 0.816 682 E CB 1.322 31.053 29.700 0.053 0.000 1.356 682 E HN 0.167 nan 8.360 nan 0.000 0.462 683 D N 1.516 121.948 120.400 0.052 0.000 2.336 683 D HA 0.279 4.919 4.640 -0.001 0.000 0.249 683 D C -0.496 175.859 176.300 0.092 0.000 1.213 683 D CA -0.027 54.001 54.000 0.048 0.000 0.870 683 D CB 0.043 40.852 40.800 0.016 0.000 1.076 683 D HN 0.297 nan 8.370 nan 0.000 0.483 684 I N 3.119 123.735 120.570 0.076 0.000 2.437 684 I HA 0.288 4.458 4.170 -0.001 0.000 0.298 684 I C -0.117 176.046 176.117 0.076 0.000 0.984 684 I CA -1.068 60.287 61.300 0.092 0.000 1.214 684 I CB 2.009 40.055 38.000 0.075 0.000 1.365 684 I HN 0.065 nan 8.210 nan 0.000 0.469 685 V N 4.623 124.588 119.914 0.084 0.000 2.555 685 V HA 0.643 4.762 4.120 -0.001 0.000 0.302 685 V C 0.028 176.076 176.094 -0.077 0.000 1.038 685 V CA -0.654 61.608 62.300 -0.063 0.000 0.887 685 V CB 1.712 33.431 31.823 -0.173 0.000 0.991 685 V HN 0.827 nan 8.190 nan 0.000 0.434 686 A N 4.106 126.828 122.820 -0.165 0.000 2.288 686 A HA 0.730 5.050 4.320 -0.001 0.000 0.320 686 A C -1.353 176.136 177.584 -0.158 0.000 1.217 686 A CA -0.432 51.579 52.037 -0.044 0.000 0.840 686 A CB 0.401 19.384 19.000 -0.029 0.000 1.179 686 A HN 0.827 nan 8.150 nan 0.000 0.504 687 W N 2.890 124.295 121.300 0.176 0.000 2.283 687 W HA 0.511 5.171 4.660 -0.001 0.000 0.317 687 W C -0.580 175.999 176.519 0.100 0.000 1.042 687 W CA -0.504 56.943 57.345 0.171 0.000 1.348 687 W CB 1.309 30.951 29.460 0.304 0.000 1.216 687 W HN 0.381 nan 8.180 nan 0.000 0.404 688 V N 4.933 124.933 119.914 0.143 0.000 2.398 688 V HA 0.347 4.466 4.120 -0.001 0.000 0.286 688 V C -0.055 176.123 176.094 0.139 0.000 1.026 688 V CA -1.002 61.285 62.300 -0.023 0.000 0.868 688 V CB 0.921 32.433 31.823 -0.518 0.000 0.982 688 V HN 0.388 nan 8.190 nan 0.000 0.443 689 N N 4.333 123.144 118.700 0.184 0.000 2.456 689 N HA 0.695 5.434 4.740 -0.001 0.000 0.296 689 N C -0.920 174.781 175.510 0.318 0.000 1.102 689 N CA -0.424 52.810 53.050 0.307 0.000 0.924 689 N CB 2.326 41.020 38.487 0.345 0.000 1.186 689 N HN 0.509 nan 8.380 nan 0.000 0.492 690 L N 0.267 121.709 121.223 0.366 0.000 2.354 690 L HA 0.822 5.161 4.340 -0.001 0.000 0.269 690 L C 0.586 177.590 176.870 0.223 0.000 1.005 690 L CA -0.794 54.220 54.840 0.290 0.000 0.819 690 L CB 2.252 44.506 42.059 0.326 0.000 1.311 690 L HN 0.575 nan 8.230 nan 0.000 0.423 691 G N 1.869 110.739 108.800 0.116 0.000 2.660 691 G HA2 0.741 4.701 3.960 -0.001 0.000 0.290 691 G HA3 0.741 4.701 3.960 -0.001 0.000 0.290 691 G C -1.971 172.901 174.900 -0.048 0.000 1.432 691 G CA -0.536 44.600 45.100 0.060 0.000 0.807 691 G HN 0.367 nan 8.290 nan 0.000 0.485 692 L N 0.845 122.040 121.223 -0.046 0.000 2.464 692 L HA 0.422 4.761 4.340 -0.001 0.000 0.266 692 L C -1.043 175.759 176.870 -0.114 0.000 0.965 692 L CA -1.126 53.663 54.840 -0.087 0.000 0.833 692 L CB 2.594 44.673 42.059 0.032 0.000 1.296 692 L HN 0.492 nan 8.230 nan 0.000 0.405 693 H N 2.247 121.352 119.070 0.057 0.000 2.820 693 H HA 0.206 4.762 4.556 -0.001 0.000 0.278 693 H C -0.808 174.608 175.328 0.146 0.000 1.142 693 H CA -0.149 55.937 56.048 0.064 0.000 1.346 693 H CB 0.462 30.307 29.762 0.139 0.000 1.438 693 H HN 0.531 nan 8.280 nan 0.000 0.473 694 H N 3.750 122.795 119.070 -0.042 0.000 2.556 694 H HA 0.219 4.774 4.556 -0.001 0.000 0.310 694 H C -0.727 174.609 175.328 0.013 0.000 1.057 694 H CA -0.982 55.001 56.048 -0.108 0.000 1.264 694 H CB 0.808 30.380 29.762 -0.316 0.000 1.404 694 H HN 0.294 nan 8.280 nan 0.000 0.462 695 L N 9.072 130.449 121.223 0.256 0.000 2.387 695 L HA 0.397 4.736 4.340 -0.001 0.000 0.259 695 L C -2.629 174.293 176.870 0.085 0.000 1.050 695 L CA -1.886 53.027 54.840 0.122 0.000 0.922 695 L CB 0.841 42.881 42.059 -0.033 0.000 1.280 695 L HN 0.542 nan 8.230 nan 0.000 0.449 696 P HA 0.198 nan 4.420 nan 0.000 0.266 696 P C -1.127 176.211 177.300 0.063 0.000 1.195 696 P CA 0.142 63.252 63.100 0.017 0.000 0.768 696 P CB 0.587 32.264 31.700 -0.038 0.000 0.838 697 N N -1.191 117.557 118.700 0.081 0.000 3.379 697 N HA 0.271 5.011 4.740 -0.001 0.000 0.350 697 N C 0.920 176.459 175.510 0.050 0.000 1.553 697 N CA -0.549 52.527 53.050 0.043 0.000 0.712 697 N CB -0.148 38.357 38.487 0.030 0.000 1.880 697 N HN 0.125 nan 8.380 nan 0.000 0.648 698 S N -0.997 114.718 115.700 0.025 0.000 2.400 698 S HA -0.197 4.273 4.470 -0.001 0.000 0.232 698 S C 1.203 175.833 174.600 0.051 0.000 1.025 698 S CA 1.405 59.626 58.200 0.034 0.000 0.993 698 S CB -0.881 62.325 63.200 0.011 0.000 0.808 698 S HN 0.594 nan 8.310 nan 0.000 0.478 699 N N 1.782 120.512 118.700 0.049 0.000 2.575 699 N HA 0.074 4.814 4.740 -0.001 0.000 0.192 699 N C 0.317 175.865 175.510 0.062 0.000 1.200 699 N CA 0.597 53.676 53.050 0.047 0.000 0.897 699 N CB -0.153 38.358 38.487 0.039 0.000 0.990 699 N HN 0.524 nan 8.380 nan 0.000 0.449 700 D N -0.713 119.741 120.400 0.090 0.000 2.431 700 D HA 0.126 4.766 4.640 -0.001 0.000 0.213 700 D C -0.284 176.076 176.300 0.100 0.000 1.130 700 D CA 0.092 54.158 54.000 0.111 0.000 0.834 700 D CB 1.212 42.119 40.800 0.178 0.000 0.985 700 D HN 0.198 nan 8.370 nan 0.000 0.504 701 L N 2.122 123.406 121.223 0.102 0.000 2.341 701 L HA 0.282 4.621 4.340 -0.001 0.000 0.278 701 L C -1.330 175.598 176.870 0.097 0.000 1.005 701 L CA -1.547 53.377 54.840 0.141 0.000 0.818 701 L CB 2.488 44.677 42.059 0.217 0.000 1.259 701 L HN -0.264 nan 8.230 nan 0.000 0.418 702 P HA -0.013 nan 4.420 nan 0.000 0.229 702 P C -0.263 177.002 177.300 -0.059 0.000 1.160 702 P CA 0.747 63.887 63.100 0.066 0.000 0.777 702 P CB 0.540 32.249 31.700 0.015 0.000 0.814 703 N N -1.285 117.337 118.700 -0.129 0.000 2.284 703 N HA 0.205 4.945 4.740 -0.001 0.000 0.289 703 N C -0.729 174.710 175.510 -0.120 0.000 1.179 703 N CA -0.479 52.433 53.050 -0.230 0.000 0.774 703 N CB 2.033 40.294 38.487 -0.378 0.000 1.548 703 N HN -0.262 nan 8.380 nan 0.000 0.473 704 T N 1.600 116.096 114.554 -0.096 0.000 2.900 704 T HA 0.259 4.608 4.350 -0.001 0.000 0.307 704 T C 0.368 174.942 174.700 -0.210 0.000 1.065 704 T CA -0.010 62.056 62.100 -0.057 0.000 1.105 704 T CB 0.170 69.052 68.868 0.023 0.000 0.979 704 T HN 0.348 nan 8.240 nan 0.000 0.544 705 I N -1.131 119.342 120.570 -0.163 0.000 2.562 705 I HA 0.465 4.634 4.170 -0.001 0.000 0.301 705 I C 0.376 176.404 176.117 -0.149 0.000 1.003 705 I CA -0.954 60.226 61.300 -0.199 0.000 1.127 705 I CB 1.281 39.228 38.000 -0.088 0.000 1.304 705 I HN 0.568 nan 8.210 nan 0.000 0.446 706 F N 2.062 121.962 119.950 -0.085 0.000 2.407 706 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 706 F C 2.703 178.443 175.800 -0.101 0.000 1.097 706 F CA 1.125 59.064 58.000 -0.101 0.000 1.422 706 F CB 0.183 39.120 39.000 -0.105 0.000 1.067 706 F HN 0.766 nan 8.300 nan 0.000 0.539 707 S N -0.827 114.930 115.700 0.096 0.000 2.382 707 S HA -0.183 4.287 4.470 -0.001 0.000 0.228 707 S C 1.665 176.270 174.600 0.009 0.000 1.027 707 S CA 1.557 59.765 58.200 0.014 0.000 0.991 707 S CB -1.100 62.104 63.200 0.006 0.000 0.823 707 S HN 0.402 nan 8.310 nan 0.000 0.469 708 T N -1.540 113.026 114.554 0.021 0.000 3.092 708 T HA 0.669 5.018 4.350 -0.001 0.000 0.258 708 T C 0.303 175.010 174.700 0.013 0.000 1.031 708 T CA 0.049 62.163 62.100 0.023 0.000 0.925 708 T CB 0.428 69.304 68.868 0.013 0.000 1.036 708 T HN 0.496 nan 8.240 nan 0.000 0.544 709 A N 1.719 124.548 122.820 0.016 0.000 2.938 709 A HA 0.551 4.871 4.320 -0.001 0.000 0.344 709 A C -0.522 177.106 177.584 0.073 0.000 1.142 709 A CA -0.686 51.330 52.037 -0.036 0.000 0.841 709 A CB -0.114 18.799 19.000 -0.146 0.000 1.083 709 A HN 0.685 nan 8.150 nan 0.000 0.479 710 H N 0.902 119.942 119.070 -0.051 0.000 2.806 710 H HA 0.757 5.312 4.556 -0.001 0.000 0.367 710 H C -1.164 174.137 175.328 -0.045 0.000 1.136 710 H CA -0.359 55.661 56.048 -0.046 0.000 1.178 710 H CB 2.000 31.737 29.762 -0.043 0.000 1.718 710 H HN 0.646 nan 8.280 nan 0.000 0.540 711 A N 2.777 125.368 122.820 -0.381 0.000 2.486 711 A HA 0.604 4.923 4.320 -0.001 0.000 0.300 711 A C -1.171 176.161 177.584 -0.419 0.000 1.048 711 A CA -0.108 51.717 52.037 -0.353 0.000 0.696 711 A CB 1.766 20.713 19.000 -0.088 0.000 1.278 711 A HN 0.803 nan 8.150 nan 0.000 0.405 712 S N 0.047 115.543 115.700 -0.339 0.000 2.588 712 S HA 0.893 5.362 4.470 -0.001 0.000 0.269 712 S C -0.848 173.674 174.600 -0.130 0.000 1.157 712 S CA -0.568 57.453 58.200 -0.298 0.000 0.824 712 S CB 1.088 64.086 63.200 -0.337 0.000 1.126 712 S HN 1.930 nan 8.310 nan 0.000 0.464 713 F N -0.947 118.852 119.950 -0.252 0.000 2.643 713 F HA 0.884 5.410 4.527 -0.001 0.000 0.314 713 F C -0.988 174.683 175.800 -0.215 0.000 1.096 713 F CA -1.323 56.544 58.000 -0.222 0.000 0.953 713 F CB 1.469 40.375 39.000 -0.156 0.000 1.345 713 F HN 0.637 nan 8.300 nan 0.000 0.468 714 M N 2.541 122.148 119.600 0.012 0.000 2.535 714 M HA 0.569 5.049 4.480 -0.001 0.000 0.314 714 M C -1.501 174.860 176.300 0.103 0.000 1.153 714 M CA -0.756 54.504 55.300 -0.067 0.000 0.924 714 M CB 2.622 35.148 32.600 -0.123 0.000 1.710 714 M HN 0.599 nan 8.290 nan 0.000 0.451 715 L N 1.375 122.650 121.223 0.087 0.000 2.298 715 L HA 0.570 4.909 4.340 -0.001 0.000 0.284 715 L C -0.277 176.743 176.870 0.249 0.000 1.013 715 L CA -0.412 54.562 54.840 0.222 0.000 0.824 715 L CB 1.610 43.790 42.059 0.203 0.000 1.221 715 L HN 0.615 nan 8.230 nan 0.000 0.418 716 T N 3.739 118.366 114.554 0.122 0.000 2.893 716 T HA 0.539 4.889 4.350 -0.001 0.000 0.293 716 T C -2.713 171.649 174.700 -0.563 0.000 1.027 716 T CA -1.895 60.123 62.100 -0.136 0.000 0.988 716 T CB 2.067 70.875 68.868 -0.100 0.000 1.043 716 T HN 0.146 nan 8.240 nan 0.000 0.461 717 P HA 0.284 nan 4.420 nan 0.000 0.266 717 P C -1.386 175.751 177.300 -0.271 0.000 1.195 717 P CA 0.055 62.586 63.100 -0.948 0.000 0.768 717 P CB 0.075 31.476 31.700 -0.499 0.000 0.838 718 F N 3.570 123.354 119.950 -0.278 0.000 2.828 718 F HA 0.284 4.810 4.527 -0.001 0.000 0.355 718 F C 0.006 175.800 175.800 -0.009 0.000 1.200 718 F CA -0.445 57.495 58.000 -0.100 0.000 1.062 718 F CB 0.499 39.462 39.000 -0.062 0.000 1.351 718 F HN 0.260 nan 8.300 nan 0.000 0.504 719 N N 3.429 122.043 118.700 -0.144 0.000 2.741 719 N HA -0.339 4.401 4.740 -0.001 0.000 0.251 719 N C 0.558 176.107 175.510 0.064 0.000 1.112 719 N CA 1.472 54.513 53.050 -0.014 0.000 0.750 719 N CB -1.777 36.730 38.487 0.034 0.000 1.119 719 N HN 0.789 nan 8.380 nan 0.000 0.561 720 Y N -0.297 119.924 120.300 -0.131 0.000 2.337 720 Y HA 0.162 4.711 4.550 -0.001 0.000 0.293 720 Y C 0.604 176.272 175.900 -0.387 0.000 1.123 720 Y CA 1.167 59.099 58.100 -0.280 0.000 1.201 720 Y CB 0.218 38.393 38.460 -0.476 0.000 1.011 720 Y HN 0.062 nan 8.280 nan 0.000 0.545 721 F N -0.776 119.213 119.950 0.064 0.000 2.712 721 F HA 0.282 4.809 4.527 -0.001 0.000 0.367 721 F C 1.185 176.993 175.800 0.014 0.000 1.132 721 F CA -1.229 56.767 58.000 -0.008 0.000 1.066 721 F CB 0.146 39.188 39.000 0.070 0.000 1.416 721 F HN -0.369 nan 8.300 nan 0.000 0.515 722 D N -0.548 119.999 120.400 0.245 0.000 2.347 722 D HA 0.088 4.727 4.640 -0.001 0.000 0.213 722 D C 0.170 176.613 176.300 0.238 0.000 0.985 722 D CA 0.796 54.928 54.000 0.220 0.000 0.879 722 D CB 0.176 41.053 40.800 0.130 0.000 0.919 722 D HN 0.381 nan 8.370 nan 0.000 0.526 723 S N -1.230 114.586 115.700 0.193 0.000 2.643 723 S HA 0.239 4.709 4.470 -0.001 0.000 0.270 723 S C -0.821 173.855 174.600 0.127 0.000 1.166 723 S CA -1.015 57.255 58.200 0.117 0.000 0.815 723 S CB 2.534 65.769 63.200 0.057 0.000 1.139 723 S HN -0.132 nan 8.310 nan 0.000 0.472 724 E N 0.766 121.010 120.200 0.075 0.000 2.290 724 E HA 0.151 4.501 4.350 -0.001 0.000 0.277 724 E C -0.449 176.182 176.600 0.052 0.000 1.035 724 E CA -0.050 56.401 56.400 0.087 0.000 0.873 724 E CB 0.317 30.048 29.700 0.052 0.000 1.029 724 E HN 0.668 nan 8.360 nan 0.000 0.419 725 N N 2.590 121.336 118.700 0.078 0.000 2.346 725 N HA -0.022 4.717 4.740 -0.001 0.000 0.225 725 N C 0.672 176.216 175.510 0.057 0.000 1.144 725 N CA 0.068 53.105 53.050 -0.022 0.000 0.837 725 N CB 0.365 38.731 38.487 -0.201 0.000 1.069 725 N HN 0.364 nan 8.380 nan 0.000 0.487 726 S N -0.329 115.415 115.700 0.074 0.000 2.535 726 S HA 0.137 4.606 4.470 -0.001 0.000 0.214 726 S C 1.670 176.282 174.600 0.019 0.000 0.980 726 S CA -0.328 57.922 58.200 0.084 0.000 0.907 726 S CB 0.230 63.504 63.200 0.124 0.000 0.790 726 S HN 0.154 nan 8.310 nan 0.000 0.510 727 R N 2.671 123.159 120.500 -0.019 0.000 2.200 727 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 727 R C 1.217 177.453 176.300 -0.107 0.000 1.127 727 R CA 1.470 57.533 56.100 -0.062 0.000 0.989 727 R CB -0.953 29.304 30.300 -0.072 0.000 0.869 727 R HN 0.783 nan 8.270 nan 0.000 0.459 728 D N -0.498 119.843 120.400 -0.097 0.000 2.349 728 D HA -0.048 4.592 4.640 -0.001 0.000 0.224 728 D C 0.512 176.748 176.300 -0.107 0.000 1.029 728 D CA 0.075 54.005 54.000 -0.117 0.000 0.879 728 D CB -0.380 40.351 40.800 -0.115 0.000 0.906 728 D HN -0.140 nan 8.370 nan 0.000 0.528 729 T N 0.370 114.879 114.554 -0.075 0.000 2.900 729 T HA 0.130 4.480 4.350 -0.001 0.000 0.307 729 T C 1.544 176.202 174.700 -0.070 0.000 1.065 729 T CA 0.661 62.733 62.100 -0.047 0.000 1.105 729 T CB 1.132 70.008 68.868 0.012 0.000 0.979 729 T HN 0.256 nan 8.240 nan 0.000 0.544 730 T N 1.325 115.874 114.554 -0.007 0.000 3.081 730 T HA 0.096 4.446 4.350 -0.001 0.000 0.255 730 T C 0.808 175.613 174.700 0.173 0.000 1.113 730 T CA 0.141 62.278 62.100 0.062 0.000 1.082 730 T CB 0.174 69.110 68.868 0.113 0.000 0.939 730 T HN 0.529 nan 8.240 nan 0.000 0.506 731 Q N 3.028 122.920 119.800 0.153 0.000 3.184 731 Q HA 0.294 4.633 4.340 -0.001 0.000 0.288 731 Q C -0.012 176.150 176.000 0.270 0.000 1.412 731 Q CA 0.082 56.022 55.803 0.229 0.000 0.991 731 Q CB -0.340 28.510 28.738 0.187 0.000 1.688 731 Q HN 0.881 nan 8.270 nan 0.000 0.554 732 Q N -2.213 117.798 119.800 0.351 0.000 2.590 732 Q HA 0.754 5.093 4.340 -0.001 0.000 0.295 732 Q C -1.419 174.912 176.000 0.552 0.000 0.973 732 Q CA -0.965 55.057 55.803 0.366 0.000 0.768 732 Q CB 1.738 30.603 28.738 0.212 0.000 1.479 732 Q HN 0.035 nan 8.270 nan 0.000 0.419 733 V N 1.183 121.392 119.914 0.492 0.000 2.876 733 V HA 0.746 4.866 4.120 -0.001 0.000 0.312 733 V C -2.001 174.370 176.094 0.461 0.000 1.085 733 V CA -0.728 61.849 62.300 0.461 0.000 0.945 733 V CB 2.042 34.115 31.823 0.416 0.000 1.017 733 V HN 0.799 nan 8.190 nan 0.000 0.428 734 F N 7.273 127.305 119.950 0.137 0.000 2.500 734 F HA 0.548 5.075 4.527 -0.001 0.000 0.349 734 F C -1.283 174.476 175.800 -0.068 0.000 1.127 734 F CA -0.796 57.255 58.000 0.086 0.000 0.998 734 F CB 1.027 40.089 39.000 0.103 0.000 1.237 734 F HN 0.684 nan 8.300 nan 0.000 0.439 735 Y N 5.896 125.887 120.300 -0.514 0.000 2.323 735 Y HA 0.603 5.152 4.550 -0.001 0.000 0.331 735 Y C -0.455 174.955 175.900 -0.817 0.000 1.092 735 Y CA -0.349 57.270 58.100 -0.801 0.000 1.150 735 Y CB 1.324 39.244 38.460 -0.900 0.000 1.200 735 Y HN 0.618 nan 8.280 nan 0.000 0.472 736 T N 3.220 116.940 114.554 -1.389 0.000 2.906 736 T HA 0.428 4.777 4.350 -0.001 0.000 0.295 736 T C -1.801 172.331 174.700 -0.946 0.000 1.061 736 T CA -0.776 60.756 62.100 -0.946 0.000 1.000 736 T CB 1.696 70.170 68.868 -0.657 0.000 1.103 736 T HN 0.638 nan 8.240 nan 0.000 0.486 737 Y N 1.136 121.103 120.300 -0.555 0.000 2.391 737 Y HA 0.526 5.076 4.550 -0.001 0.000 0.341 737 Y C -1.136 174.644 175.900 -0.201 0.000 0.965 737 Y CA -1.184 56.704 58.100 -0.353 0.000 1.067 737 Y CB 1.855 40.238 38.460 -0.128 0.000 1.199 737 Y HN 0.801 nan 8.280 nan 0.000 0.450 738 D N 4.255 124.198 120.400 -0.762 0.000 2.380 738 D HA 0.141 4.780 4.640 -0.001 0.000 0.230 738 D C 0.182 176.041 176.300 -0.736 0.000 1.154 738 D CA 0.077 53.731 54.000 -0.577 0.000 0.859 738 D CB 0.954 41.526 40.800 -0.379 0.000 1.045 738 D HN 0.764 nan 8.370 nan 0.000 0.495 739 D N 2.396 122.540 120.400 -0.428 0.000 2.228 739 D HA -0.180 4.460 4.640 -0.001 0.000 0.203 739 D C 1.327 177.535 176.300 -0.154 0.000 0.988 739 D CA 1.311 55.186 54.000 -0.208 0.000 0.864 739 D CB 0.469 41.242 40.800 -0.044 0.000 0.928 739 D HN 0.603 nan 8.370 nan 0.000 0.469 740 E N -0.332 119.768 120.200 -0.165 0.000 2.022 740 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 740 E C 2.325 178.853 176.600 -0.119 0.000 0.973 740 E CA 1.444 57.779 56.400 -0.108 0.000 0.816 740 E CB -0.241 29.405 29.700 -0.090 0.000 0.781 740 E HN 0.329 nan 8.360 nan 0.000 0.456 741 T N -1.267 113.193 114.554 -0.157 0.000 2.951 741 T HA -0.082 4.268 4.350 -0.001 0.000 0.268 741 T C 0.576 175.192 174.700 -0.141 0.000 1.073 741 T CA 0.965 62.987 62.100 -0.130 0.000 1.134 741 T CB -0.194 68.597 68.868 -0.129 0.000 0.884 741 T HN 0.254 nan 8.240 nan 0.000 0.479 742 E N -0.066 119.965 120.200 -0.282 0.000 2.833 742 E HA -0.114 4.236 4.350 -0.001 0.000 0.289 742 E C -0.809 175.723 176.600 -0.113 0.000 0.980 742 E CA 0.287 56.552 56.400 -0.226 0.000 0.897 742 E CB -1.190 28.544 29.700 0.055 0.000 1.440 742 E HN 0.464 nan 8.360 nan 0.000 0.410 743 E N 0.494 120.542 120.200 -0.253 0.000 2.204 743 E HA 0.442 4.792 4.350 -0.001 0.000 0.276 743 E C -0.487 176.024 176.600 -0.149 0.000 0.974 743 E CA -0.505 55.827 56.400 -0.115 0.000 0.815 743 E CB 1.686 31.316 29.700 -0.117 0.000 1.119 743 E HN 0.040 nan 8.360 nan 0.000 0.393 744 S N 2.506 118.189 115.700 -0.029 0.000 2.608 744 S HA 0.465 4.935 4.470 -0.001 0.000 0.291 744 S C -0.215 174.217 174.600 -0.281 0.000 1.146 744 S CA -0.817 57.256 58.200 -0.212 0.000 1.043 744 S CB 0.946 64.140 63.200 -0.010 0.000 1.037 744 S HN 0.468 nan 8.310 nan 0.000 0.520 745 N N 0.685 119.039 118.700 -0.577 0.000 2.249 745 N HA 0.371 5.111 4.740 -0.001 0.000 0.296 745 N C -2.172 173.002 175.510 -0.561 0.000 1.051 745 N CA -0.457 52.366 53.050 -0.378 0.000 0.815 745 N CB 1.271 39.567 38.487 -0.319 0.000 1.487 745 N HN 0.535 nan 8.380 nan 0.000 0.475 746 W N 1.631 122.760 121.300 -0.286 0.000 2.532 746 W HA 0.318 4.978 4.660 -0.001 0.000 0.321 746 W C -0.131 176.051 176.519 -0.561 0.000 1.037 746 W CA -0.555 56.523 57.345 -0.444 0.000 1.220 746 W CB 1.434 30.647 29.460 -0.412 0.000 1.361 746 W HN 0.437 nan 8.180 nan 0.000 0.468 747 E N 2.487 122.427 120.200 -0.433 0.000 2.155 747 E HA 0.420 4.769 4.350 -0.001 0.000 0.264 747 E C -0.976 175.297 176.600 -0.544 0.000 0.886 747 E CA -0.472 55.660 56.400 -0.446 0.000 0.752 747 E CB 0.442 29.912 29.700 -0.383 0.000 1.133 747 E HN 0.394 nan 8.360 nan 0.000 0.414 748 F N 3.398 123.329 119.950 -0.031 0.000 2.683 748 F HA 0.231 4.757 4.527 -0.001 0.000 0.306 748 F C -0.285 175.660 175.800 0.242 0.000 1.102 748 F CA -0.567 57.553 58.000 0.200 0.000 1.244 748 F CB 0.071 39.278 39.000 0.346 0.000 1.029 748 F HN 0.502 nan 8.300 nan 0.000 0.545 749 Y N 0.507 120.988 120.300 0.301 0.000 3.037 749 Y HA -0.209 4.341 4.550 -0.001 0.000 0.204 749 Y C 1.434 177.444 175.900 0.184 0.000 1.275 749 Y CA 0.448 58.669 58.100 0.203 0.000 1.066 749 Y CB -1.774 36.789 38.460 0.171 0.000 1.305 749 Y HN 0.402 nan 8.280 nan 0.000 0.499 750 G N -0.584 108.371 108.800 0.258 0.000 2.179 750 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 750 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 750 G C -0.061 174.931 174.900 0.153 0.000 0.977 750 G CA -0.007 45.203 45.100 0.182 0.000 0.641 750 G HN 0.500 nan 8.290 nan 0.000 0.533 751 N N 1.322 120.149 118.700 0.212 0.000 2.457 751 N HA 0.345 5.084 4.740 -0.001 0.000 0.250 751 N C -1.438 174.084 175.510 0.019 0.000 0.982 751 N CA -0.321 52.774 53.050 0.075 0.000 0.941 751 N CB 1.512 40.057 38.487 0.097 0.000 1.120 751 N HN 0.238 nan 8.380 nan 0.000 0.505 752 D N 1.926 122.281 120.400 -0.076 0.000 2.380 752 D HA 0.082 4.721 4.640 -0.001 0.000 0.230 752 D C 0.237 176.431 176.300 -0.177 0.000 1.154 752 D CA -0.430 53.533 54.000 -0.061 0.000 0.859 752 D CB 0.360 41.144 40.800 -0.026 0.000 1.045 752 D HN 0.428 nan 8.370 nan 0.000 0.495 753 W N 2.383 123.490 121.300 -0.322 0.000 3.077 753 W HA 0.081 4.741 4.660 -0.001 0.000 0.245 753 W C 1.015 177.409 176.519 -0.209 0.000 1.316 753 W CA -0.233 56.920 57.345 -0.320 0.000 1.537 753 W CB -0.173 28.960 29.460 -0.543 0.000 1.131 753 W HN 0.231 nan 8.180 nan 0.000 0.695 754 S N 0.893 116.596 115.700 0.006 0.000 2.561 754 S HA -0.011 4.459 4.470 -0.001 0.000 0.294 754 S C 0.763 175.356 174.600 -0.012 0.000 1.294 754 S CA -0.155 58.044 58.200 -0.003 0.000 1.055 754 S CB 0.367 63.562 63.200 -0.007 0.000 0.819 754 S HN -0.014 nan 8.310 nan 0.000 0.503 755 S N 1.847 117.545 115.700 -0.004 0.000 2.558 755 S HA 0.220 4.690 4.470 -0.001 0.000 0.293 755 S C 0.417 175.005 174.600 -0.019 0.000 1.292 755 S CA -0.379 57.816 58.200 -0.008 0.000 1.063 755 S CB -0.719 62.478 63.200 -0.004 0.000 0.831 755 S HN 0.918 nan 8.310 nan 0.000 0.499 756 c N 1.096 119.680 118.600 -0.026 0.000 3.173 756 c HA 0.926 5.495 4.570 -0.001 0.000 0.310 756 c C 0.268 174.342 174.090 -0.027 0.000 1.306 756 c CA -0.987 55.324 56.329 -0.030 0.000 1.426 756 c CB 0.702 43.186 42.510 -0.043 0.000 1.800 756 c HN 0.865 nan 8.230 nan 0.000 0.470 757 G N 0.934 109.720 108.800 -0.023 0.000 2.356 757 G HA2 0.618 4.578 3.960 -0.001 0.000 0.298 757 G HA3 0.618 4.578 3.960 -0.001 0.000 0.298 757 G C -1.419 173.467 174.900 -0.023 0.000 1.145 757 G CA -0.263 44.825 45.100 -0.020 0.000 0.850 757 G HN 0.959 nan 8.290 nan 0.000 0.487 758 L N 0.726 121.936 121.223 -0.022 0.000 2.371 758 L HA 0.618 4.957 4.340 -0.001 0.000 0.262 758 L C -0.636 176.224 176.870 -0.018 0.000 1.006 758 L CA -1.052 53.774 54.840 -0.023 0.000 0.818 758 L CB 2.528 44.570 42.059 -0.028 0.000 1.354 758 L HN 0.488 nan 8.230 nan 0.000 0.415 759 E N 1.246 121.435 120.200 -0.017 0.000 2.167 759 E HA 0.424 4.773 4.350 -0.001 0.000 0.284 759 E C -1.140 175.450 176.600 -0.016 0.000 1.016 759 E CA -0.201 56.191 56.400 -0.014 0.000 0.817 759 E CB 1.189 30.882 29.700 -0.012 0.000 1.080 759 E HN 0.350 nan 8.360 nan 0.000 0.397 760 V N 7.386 127.292 119.914 -0.015 0.000 2.372 760 V HA 0.255 4.375 4.120 -0.001 0.000 0.261 760 V C -1.812 174.271 176.094 -0.018 0.000 1.055 760 V CA -1.412 60.877 62.300 -0.018 0.000 0.930 760 V CB 0.179 31.993 31.823 -0.016 0.000 1.031 760 V HN 0.659 nan 8.190 nan 0.000 0.479 761 P HA 0.319 nan 4.420 nan 0.000 0.282 761 P C -0.344 176.931 177.300 -0.042 0.000 1.249 761 P CA -0.637 62.446 63.100 -0.029 0.000 0.806 761 P CB 0.929 32.609 31.700 -0.033 0.000 0.984 762 E N 2.704 122.883 120.200 -0.034 0.000 2.344 762 E HA 0.176 4.526 4.350 -0.001 0.000 0.270 762 E C -1.896 174.592 176.600 -0.186 0.000 1.021 762 E CA -1.687 54.682 56.400 -0.053 0.000 0.887 762 E CB 0.062 29.779 29.700 0.028 0.000 0.997 762 E HN 0.285 nan 8.360 nan 0.000 0.429 763 P HA -0.033 nan 4.420 nan 0.000 0.269 763 P C -0.619 176.318 177.300 -0.605 0.000 1.217 763 P CA -0.179 62.577 63.100 -0.574 0.000 0.783 763 P CB 0.355 31.488 31.700 -0.945 0.000 0.898 764 N N 1.823 120.310 118.700 -0.355 0.000 3.105 764 N HA -0.028 4.712 4.740 -0.001 0.000 0.309 764 N C 0.565 175.991 175.510 -0.140 0.000 1.291 764 N CA 0.146 53.081 53.050 -0.192 0.000 1.153 764 N CB -1.087 37.338 38.487 -0.102 0.000 1.447 764 N HN 0.378 nan 8.380 nan 0.000 0.555 765 F N 1.251 121.219 119.950 0.030 0.000 2.236 765 F HA -0.204 4.322 4.527 -0.001 0.000 0.302 765 F C 2.449 178.294 175.800 0.075 0.000 1.073 765 F CA 0.988 59.018 58.000 0.050 0.000 1.336 765 F CB 0.013 39.046 39.000 0.056 0.000 1.040 765 F HN 0.284 nan 8.300 nan 0.000 0.507 766 E N 0.268 120.593 120.200 0.209 0.000 2.265 766 E HA -0.212 4.137 4.350 -0.001 0.000 0.196 766 E C 0.752 177.414 176.600 0.103 0.000 0.996 766 E CA 1.441 57.926 56.400 0.142 0.000 0.832 766 E CB -0.586 29.171 29.700 0.095 0.000 0.756 766 E HN 0.365 nan 8.360 nan 0.000 0.491 767 D N -0.225 120.222 120.400 0.077 0.000 2.355 767 D HA -0.023 4.617 4.640 -0.001 0.000 0.218 767 D C -0.375 175.964 176.300 0.065 0.000 1.004 767 D CA 0.242 54.261 54.000 0.032 0.000 0.880 767 D CB -0.284 40.493 40.800 -0.039 0.000 0.911 767 D HN 0.224 nan 8.370 nan 0.000 0.528 768 Y N 1.232 121.540 120.300 0.012 0.000 2.341 768 Y HA 0.335 4.884 4.550 -0.001 0.000 0.340 768 Y C -0.470 175.472 175.900 0.070 0.000 0.997 768 Y CA -0.114 58.006 58.100 0.035 0.000 1.149 768 Y CB 0.910 39.411 38.460 0.068 0.000 1.171 768 Y HN -0.342 nan 8.280 nan 0.000 0.494 769 T N 6.595 120.861 114.554 -0.480 0.000 2.886 769 T HA 0.152 4.501 4.350 -0.001 0.000 0.292 769 T C -1.363 173.044 174.700 -0.489 0.000 1.012 769 T CA -0.559 61.331 62.100 -0.350 0.000 0.982 769 T CB 0.609 69.410 68.868 -0.111 0.000 1.018 769 T HN 0.527 nan 8.240 nan 0.000 0.451 770 Y N 2.252 122.340 120.300 -0.354 0.000 2.788 770 Y HA 0.357 4.906 4.550 -0.001 0.000 0.341 770 Y C 0.829 176.752 175.900 0.037 0.000 1.258 770 Y CA 1.933 59.957 58.100 -0.128 0.000 1.503 770 Y CB -0.021 38.444 38.460 0.008 0.000 1.325 770 Y HN 1.091 nan 8.280 nan 0.000 0.614 771 G N 4.339 112.883 108.800 -0.427 0.000 2.406 771 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.680 771 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.680 771 G C -1.082 173.697 174.900 -0.202 0.000 1.338 771 G CA -1.018 43.977 45.100 -0.175 0.000 0.941 771 G HN 0.744 nan 8.290 nan 0.000 0.633 772 R N 0.706 121.021 120.500 -0.309 0.000 4.394 772 R HA 0.509 4.848 4.340 -0.001 0.000 0.257 772 R C 0.957 177.216 176.300 -0.069 0.000 1.727 772 R CA 0.600 56.471 56.100 -0.382 0.000 1.497 772 R CB 0.077 30.058 30.300 -0.532 0.000 1.406 772 R HN 2.114 nan 8.270 nan 0.000 0.745 773 G N 0.156 108.958 108.800 0.003 0.000 2.663 773 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.686 773 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.686 773 G C -0.530 174.445 174.900 0.126 0.000 1.246 773 G CA -1.099 44.065 45.100 0.107 0.000 0.795 773 G HN 0.123 nan 8.290 nan 0.000 0.627 774 T N 1.878 116.481 114.554 0.082 0.000 2.743 774 T HA 0.736 5.085 4.350 -0.001 0.000 0.293 774 T C 1.106 175.793 174.700 -0.021 0.000 0.945 774 T CA 0.853 62.975 62.100 0.037 0.000 1.030 774 T CB 0.821 69.713 68.868 0.040 0.000 0.912 774 T HN 1.231 nan 8.240 nan 0.000 0.483 775 R N 0.000 120.429 120.500 -0.118 0.000 2.786 775 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 775 R CA 0.000 55.927 56.100 -0.289 0.000 0.921 775 R CB 0.000 30.038 30.300 -0.437 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535