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 1w1i_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.653 174.600 0.089 0.000 1.055 39 S CA 0.000 58.273 58.200 0.121 0.000 1.107 39 S CB 0.000 63.241 63.200 0.068 0.000 0.593 40 R N 2.051 122.606 120.500 0.092 0.000 2.745 40 R HA 0.566 4.906 4.340 -0.000 0.000 0.214 40 R C 0.362 176.713 176.300 0.085 0.000 1.456 40 R CA -1.059 55.089 56.100 0.080 0.000 0.974 40 R CB 0.041 30.387 30.300 0.078 0.000 2.210 40 R HN 0.302 nan 8.270 nan 0.000 0.520 41 K N 0.375 120.831 120.400 0.092 0.000 2.138 41 K HA 0.243 4.563 4.320 -0.000 0.000 0.251 41 K C -0.404 176.261 176.600 0.108 0.000 1.015 41 K CA -0.521 55.827 56.287 0.102 0.000 0.917 41 K CB 0.821 33.392 32.500 0.118 0.000 1.021 41 K HN 0.637 nan 8.250 nan 0.000 0.485 42 T N -1.951 112.674 114.554 0.117 0.000 2.937 42 T HA 0.163 4.513 4.350 -0.000 0.000 0.283 42 T C -0.712 174.104 174.700 0.195 0.000 1.012 42 T CA -0.783 61.394 62.100 0.128 0.000 0.997 42 T CB 0.489 69.422 68.868 0.108 0.000 1.136 42 T HN 0.520 nan 8.240 nan 0.000 0.551 43 Y N 2.611 122.952 120.300 0.068 0.000 2.531 43 Y HA 0.371 4.921 4.550 0.000 0.000 0.347 43 Y C 0.949 176.991 175.900 0.238 0.000 1.024 43 Y CA -0.293 57.882 58.100 0.124 0.000 1.306 43 Y CB -0.268 38.218 38.460 0.043 0.000 1.149 43 Y HN 0.985 nan 8.280 nan 0.000 0.527 44 T N 2.493 117.032 114.554 -0.024 0.000 2.912 44 T HA 0.169 4.519 4.350 -0.000 0.000 0.280 44 T C 0.964 175.599 174.700 -0.108 0.000 0.989 44 T CA -0.855 61.301 62.100 0.093 0.000 0.995 44 T CB 1.315 70.209 68.868 0.043 0.000 1.077 44 T HN 0.636 nan 8.240 nan 0.000 0.531 45 L N 1.236 122.251 121.223 -0.346 0.000 2.079 45 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 45 L C 2.590 179.305 176.870 -0.258 0.000 1.081 45 L CA 2.136 56.576 54.840 -0.666 0.000 0.752 45 L CB -1.481 40.070 42.059 -0.847 0.000 0.896 45 L HN 0.964 nan 8.230 nan 0.000 0.433 46 T N -0.697 113.750 114.554 -0.179 0.000 2.867 46 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 46 T C 1.458 176.084 174.700 -0.123 0.000 1.057 46 T CA 1.300 63.326 62.100 -0.122 0.000 1.136 46 T CB -0.305 68.516 68.868 -0.078 0.000 0.874 46 T HN 0.399 nan 8.240 nan 0.000 0.466 47 D N 0.164 120.460 120.400 -0.173 0.000 2.123 47 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 47 D C 1.712 177.948 176.300 -0.106 0.000 0.992 47 D CA 1.025 54.910 54.000 -0.192 0.000 0.833 47 D CB -0.315 40.254 40.800 -0.386 0.000 0.954 47 D HN 0.401 nan 8.370 nan 0.000 0.455 48 Y N 1.434 121.553 120.300 -0.301 0.000 2.133 48 Y HA -0.082 4.468 4.550 -0.000 0.000 0.287 48 Y C 2.202 178.107 175.900 0.008 0.000 1.134 48 Y CA 1.179 59.264 58.100 -0.026 0.000 1.133 48 Y CB -0.647 37.833 38.460 0.032 0.000 0.987 48 Y HN -0.107 nan 8.280 nan 0.000 0.502 49 L N -0.168 120.907 121.223 -0.247 0.000 2.056 49 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 49 L C 2.224 178.997 176.870 -0.162 0.000 1.078 49 L CA 1.323 55.973 54.840 -0.317 0.000 0.749 49 L CB -0.473 41.456 42.059 -0.216 0.000 0.901 49 L HN 0.015 nan 8.230 nan 0.000 0.433 50 K N -0.021 120.315 120.400 -0.106 0.000 2.418 50 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 50 K C 0.414 176.983 176.600 -0.052 0.000 1.035 50 K CA 0.169 56.414 56.287 -0.069 0.000 1.003 50 K CB -0.452 32.010 32.500 -0.063 0.000 0.793 50 K HN 0.317 nan 8.250 nan 0.000 0.494 51 N N 0.911 119.592 118.700 -0.031 0.000 2.783 51 N HA -0.202 4.538 4.740 -0.000 0.000 0.247 51 N C 0.441 175.962 175.510 0.018 0.000 1.089 51 N CA 0.526 53.594 53.050 0.030 0.000 0.690 51 N CB -0.756 37.735 38.487 0.008 0.000 0.991 51 N HN 0.326 nan 8.380 nan 0.000 0.552 52 T N -2.704 111.825 114.554 -0.042 0.000 2.821 52 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 52 T C 0.685 175.238 174.700 -0.245 0.000 1.046 52 T CA 1.129 63.105 62.100 -0.207 0.000 1.139 52 T CB -0.238 68.408 68.868 -0.371 0.000 0.871 52 T HN 0.348 nan 8.240 nan 0.000 0.454 53 Y N 1.817 122.221 120.300 0.173 0.000 2.434 53 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 53 Y C 0.599 176.607 175.900 0.180 0.000 0.965 53 Y CA -1.237 56.980 58.100 0.195 0.000 1.205 53 Y CB 0.660 39.291 38.460 0.284 0.000 1.121 53 Y HN -0.006 nan 8.280 nan 0.000 0.507 54 R N 3.434 124.079 120.500 0.242 0.000 2.393 54 R HA 0.529 4.869 4.340 -0.000 0.000 0.310 54 R C -1.094 175.310 176.300 0.174 0.000 0.968 54 R CA -0.714 55.492 56.100 0.178 0.000 0.867 54 R CB 0.892 31.256 30.300 0.107 0.000 1.124 54 R HN 0.693 nan 8.270 nan 0.000 0.450 55 L N 4.730 126.058 121.223 0.174 0.000 2.319 55 L HA 0.248 4.588 4.340 -0.000 0.000 0.280 55 L C 0.380 177.327 176.870 0.128 0.000 1.099 55 L CA -0.012 54.927 54.840 0.165 0.000 0.828 55 L CB 0.808 42.983 42.059 0.194 0.000 1.150 55 L HN 0.433 nan 8.230 nan 0.000 0.442 56 K N 4.464 124.932 120.400 0.112 0.000 2.185 56 K HA 0.550 4.870 4.320 -0.000 0.000 0.271 56 K C -0.492 176.136 176.600 0.047 0.000 1.013 56 K CA -0.441 55.888 56.287 0.070 0.000 0.943 56 K CB 1.306 33.841 32.500 0.057 0.000 0.998 56 K HN 0.428 nan 8.250 nan 0.000 0.468 57 L N 0.832 122.020 121.223 -0.058 0.000 2.267 57 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 57 L C -0.673 175.913 176.870 -0.472 0.000 1.021 57 L CA -1.061 53.622 54.840 -0.262 0.000 0.861 57 L CB 0.644 42.680 42.059 -0.040 0.000 1.443 57 L HN 0.548 nan 8.230 nan 0.000 0.475 58 Y N 0.128 119.915 120.300 -0.855 0.000 2.529 58 Y HA 0.284 4.834 4.550 -0.000 0.000 0.319 58 Y C -0.534 175.241 175.900 -0.208 0.000 1.063 58 Y CA -0.562 57.246 58.100 -0.487 0.000 1.178 58 Y CB 0.988 39.007 38.460 -0.736 0.000 1.123 58 Y HN 0.442 nan 8.280 nan 0.000 0.625 59 S N 4.616 120.247 115.700 -0.116 0.000 2.429 59 S HA 0.380 4.850 4.470 -0.000 0.000 0.292 59 S C -0.470 174.063 174.600 -0.111 0.000 1.183 59 S CA -0.280 57.882 58.200 -0.063 0.000 1.088 59 S CB -0.439 62.734 63.200 -0.044 0.000 1.018 59 S HN 0.535 nan 8.310 nan 0.000 0.511 60 L N 1.172 122.288 121.223 -0.178 0.000 2.342 60 L HA 0.773 5.113 4.340 -0.000 0.000 0.271 60 L C -0.234 176.503 176.870 -0.222 0.000 1.008 60 L CA -0.884 53.776 54.840 -0.301 0.000 0.818 60 L CB 1.107 42.655 42.059 -0.852 0.000 1.296 60 L HN 0.242 nan 8.230 nan 0.000 0.427 61 R N 2.024 122.460 120.500 -0.106 0.000 2.337 61 R HA 0.326 4.666 4.340 -0.000 0.000 0.319 61 R C -1.552 174.782 176.300 0.056 0.000 0.954 61 R CA -0.519 55.592 56.100 0.019 0.000 0.840 61 R CB 0.791 31.152 30.300 0.103 0.000 1.164 61 R HN 0.858 nan 8.270 nan 0.000 0.472 62 W N 4.589 125.974 121.300 0.142 0.000 2.193 62 W HA 0.031 4.691 4.660 -0.000 0.000 0.338 62 W C 1.785 178.384 176.519 0.133 0.000 1.310 62 W CA -0.193 57.254 57.345 0.170 0.000 1.243 62 W CB 0.471 30.022 29.460 0.151 0.000 1.165 62 W HN 0.618 nan 8.180 nan 0.000 0.566 63 I N -0.852 119.951 120.570 0.390 0.000 4.433 63 I HA 0.251 4.421 4.170 -0.000 0.000 0.322 63 I C 0.849 177.092 176.117 0.210 0.000 1.284 63 I CA 0.056 61.491 61.300 0.224 0.000 1.269 63 I CB 0.127 38.189 38.000 0.104 0.000 1.219 63 I HN 0.261 nan 8.210 nan 0.000 0.436 64 S N -0.233 115.623 115.700 0.260 0.000 3.132 64 S HA 0.373 4.843 4.470 -0.000 0.000 0.322 64 S C 0.158 174.817 174.600 0.098 0.000 1.124 64 S CA -0.055 58.253 58.200 0.181 0.000 0.906 64 S CB 1.169 64.503 63.200 0.222 0.000 1.349 64 S HN 0.092 nan 8.310 nan 0.000 0.686 65 D N -0.760 119.571 120.400 -0.115 0.000 2.349 65 D HA 0.218 4.858 4.640 -0.000 0.000 0.215 65 D C 0.825 176.894 176.300 -0.385 0.000 1.016 65 D CA 0.856 54.630 54.000 -0.377 0.000 0.870 65 D CB -0.067 40.379 40.800 -0.591 0.000 0.917 65 D HN 0.649 nan 8.370 nan 0.000 0.524 66 H N -1.922 117.303 119.070 0.259 0.000 3.457 66 H HA 0.439 4.995 4.556 -0.000 0.000 0.255 66 H C 0.024 175.452 175.328 0.167 0.000 1.082 66 H CA -0.262 55.912 56.048 0.210 0.000 1.189 66 H CB 0.983 30.843 29.762 0.164 0.000 1.511 66 H HN -0.066 nan 8.280 nan 0.000 0.527 67 E N 0.331 120.736 120.200 0.341 0.000 2.359 67 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 67 E C -1.521 175.272 176.600 0.321 0.000 0.920 67 E CA -1.223 55.306 56.400 0.216 0.000 0.788 67 E CB 2.719 32.501 29.700 0.137 0.000 1.279 67 E HN 0.188 nan 8.360 nan 0.000 0.438 68 Y N -0.962 119.380 120.300 0.070 0.000 2.625 68 Y HA 0.640 5.190 4.550 -0.000 0.000 0.338 68 Y C -1.924 173.948 175.900 -0.047 0.000 1.123 68 Y CA -1.298 56.743 58.100 -0.098 0.000 1.046 68 Y CB 0.682 38.763 38.460 -0.632 0.000 1.299 68 Y HN 0.341 nan 8.280 nan 0.000 0.464 69 L N 2.313 123.682 121.223 0.243 0.000 2.334 69 L HA 0.641 4.981 4.340 -0.000 0.000 0.272 69 L C -1.440 175.607 176.870 0.295 0.000 1.020 69 L CA -1.151 53.794 54.840 0.175 0.000 0.812 69 L CB 2.027 44.094 42.059 0.012 0.000 1.264 69 L HN 0.803 nan 8.230 nan 0.000 0.439 70 Y N 1.323 121.669 120.300 0.078 0.000 2.436 70 Y HA 0.283 4.833 4.550 -0.000 0.000 0.327 70 Y C -0.947 174.945 175.900 -0.013 0.000 1.138 70 Y CA -1.113 56.952 58.100 -0.058 0.000 1.042 70 Y CB 1.540 39.873 38.460 -0.212 0.000 1.302 70 Y HN 0.452 nan 8.280 nan 0.000 0.439 71 K N 4.737 124.749 120.400 -0.647 0.000 2.297 71 K HA 0.310 4.630 4.320 -0.000 0.000 0.286 71 K C -1.059 175.131 176.600 -0.684 0.000 1.053 71 K CA -0.334 55.675 56.287 -0.463 0.000 0.940 71 K CB 0.760 33.091 32.500 -0.282 0.000 1.019 71 K HN 0.819 nan 8.250 nan 0.000 0.475 72 Q N 3.961 123.594 119.800 -0.278 0.000 2.295 72 Q HA 0.087 4.427 4.340 -0.000 0.000 0.259 72 Q C -1.202 174.770 176.000 -0.047 0.000 0.966 72 Q CA -0.204 55.523 55.803 -0.125 0.000 0.763 72 Q CB 1.072 29.877 28.738 0.111 0.000 1.283 72 Q HN 0.756 nan 8.270 nan 0.000 0.445 73 E N 3.183 123.355 120.200 -0.047 0.000 2.403 73 E HA -0.366 3.984 4.350 -0.000 0.000 0.241 73 E C -0.515 176.065 176.600 -0.033 0.000 1.201 73 E CA 0.647 57.031 56.400 -0.027 0.000 0.721 73 E CB -0.986 28.712 29.700 -0.003 0.000 1.245 73 E HN 0.894 nan 8.360 nan 0.000 0.392 74 N N -1.575 117.093 118.700 -0.053 0.000 2.800 74 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 74 N C -1.034 174.450 175.510 -0.043 0.000 1.078 74 N CA 1.382 54.407 53.050 -0.041 0.000 0.804 74 N CB -1.266 37.209 38.487 -0.019 0.000 1.135 74 N HN 0.382 nan 8.380 nan 0.000 0.565 75 N N 1.037 119.709 118.700 -0.046 0.000 2.469 75 N HA 0.434 5.174 4.740 -0.000 0.000 0.253 75 N C 0.224 175.712 175.510 -0.037 0.000 0.970 75 N CA -0.631 52.397 53.050 -0.037 0.000 0.940 75 N CB 1.272 39.748 38.487 -0.018 0.000 1.128 75 N HN 0.338 nan 8.380 nan 0.000 0.503 76 I N 1.183 121.716 120.570 -0.060 0.000 2.598 76 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 76 I C -1.118 175.039 176.117 0.067 0.000 1.140 76 I CA 0.017 61.284 61.300 -0.054 0.000 1.420 76 I CB 0.156 38.033 38.000 -0.205 0.000 1.387 76 I HN 0.286 nan 8.210 nan 0.000 0.553 77 L N 7.262 128.563 121.223 0.130 0.000 2.342 77 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 77 L C -0.251 176.729 176.870 0.183 0.000 1.008 77 L CA -1.198 53.739 54.840 0.162 0.000 0.818 77 L CB 1.712 43.889 42.059 0.195 0.000 1.296 77 L HN 0.557 nan 8.230 nan 0.000 0.427 78 V N 2.642 122.604 119.914 0.080 0.000 2.407 78 V HA 0.471 4.591 4.120 -0.000 0.000 0.278 78 V C -0.745 175.279 176.094 -0.116 0.000 1.037 78 V CA -0.072 62.238 62.300 0.017 0.000 0.900 78 V CB 1.015 32.865 31.823 0.045 0.000 0.983 78 V HN 0.484 nan 8.190 nan 0.000 0.459 79 F N 5.045 124.735 119.950 -0.434 0.000 2.458 79 F HA 0.484 5.011 4.527 -0.000 0.000 0.330 79 F C 0.612 176.135 175.800 -0.460 0.000 1.082 79 F CA -0.577 57.099 58.000 -0.542 0.000 0.995 79 F CB 1.586 39.984 39.000 -1.003 0.000 1.170 79 F HN 0.473 nan 8.300 nan 0.000 0.478 80 N N 1.999 120.625 118.700 -0.124 0.000 2.437 80 N HA 0.210 4.950 4.740 -0.000 0.000 0.243 80 N C 0.603 176.042 175.510 -0.119 0.000 1.041 80 N CA 0.112 53.119 53.050 -0.073 0.000 0.940 80 N CB 1.543 40.041 38.487 0.017 0.000 1.133 80 N HN 0.817 nan 8.380 nan 0.000 0.506 81 A N 3.680 126.390 122.820 -0.183 0.000 1.940 81 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 81 A C 1.933 179.263 177.584 -0.422 0.000 1.190 81 A CA 1.923 53.761 52.037 -0.331 0.000 0.647 81 A CB -0.425 18.138 19.000 -0.729 0.000 0.821 81 A HN 0.746 nan 8.150 nan 0.000 0.457 82 E N -1.002 118.930 120.200 -0.446 0.000 2.006 82 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 82 E C 1.650 177.980 176.600 -0.450 0.000 0.993 82 E CA 1.912 58.021 56.400 -0.485 0.000 0.808 82 E CB -0.431 28.806 29.700 -0.772 0.000 0.764 82 E HN 0.739 nan 8.360 nan 0.000 0.449 83 Y N -1.946 118.360 120.300 0.011 0.000 2.509 83 Y HA 0.318 4.868 4.550 -0.000 0.000 0.270 83 Y C 1.662 177.563 175.900 0.001 0.000 1.103 83 Y CA 0.164 58.269 58.100 0.008 0.000 1.278 83 Y CB 0.832 39.293 38.460 0.002 0.000 1.087 83 Y HN 0.294 nan 8.280 nan 0.000 0.542 84 G N 0.581 109.438 108.800 0.094 0.000 2.194 84 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.236 84 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.236 84 G C 0.087 175.025 174.900 0.063 0.000 0.987 84 G CA 0.075 45.237 45.100 0.105 0.000 0.635 84 G HN 0.425 nan 8.290 nan 0.000 0.520 85 N N 0.898 119.605 118.700 0.012 0.000 2.371 85 N HA 0.471 5.211 4.740 -0.000 0.000 0.243 85 N C -0.057 175.283 175.510 -0.283 0.000 1.287 85 N CA 0.874 53.866 53.050 -0.096 0.000 0.911 85 N CB 1.155 39.613 38.487 -0.048 0.000 1.142 85 N HN 1.137 nan 8.380 nan 0.000 0.451 86 S N -1.398 114.069 115.700 -0.388 0.000 2.572 86 S HA 0.441 4.911 4.470 -0.000 0.000 0.274 86 S C -0.944 173.465 174.600 -0.319 0.000 1.150 86 S CA -0.970 56.886 58.200 -0.572 0.000 0.944 86 S CB 0.937 63.315 63.200 -1.369 0.000 1.071 86 S HN 0.532 nan 8.310 nan 0.000 0.479 87 S N 1.580 117.155 115.700 -0.208 0.000 2.632 87 S HA 0.546 5.016 4.470 -0.000 0.000 0.271 87 S C 0.063 174.615 174.600 -0.080 0.000 1.260 87 S CA -0.718 57.414 58.200 -0.114 0.000 1.010 87 S CB 1.110 64.276 63.200 -0.057 0.000 0.965 87 S HN 0.725 nan 8.310 nan 0.000 0.534 88 V N 3.058 122.939 119.914 -0.054 0.000 2.508 88 V HA 0.122 4.242 4.120 -0.000 0.000 0.281 88 V C 0.439 176.546 176.094 0.022 0.000 1.041 88 V CA 0.204 62.494 62.300 -0.016 0.000 1.016 88 V CB 0.274 32.072 31.823 -0.042 0.000 0.984 88 V HN 0.944 nan 8.190 nan 0.000 0.478 89 F N 5.243 125.149 119.950 -0.073 0.000 2.446 89 F HA 0.470 4.997 4.527 -0.000 0.000 0.292 89 F C 0.365 176.117 175.800 -0.080 0.000 1.096 89 F CA 0.494 58.455 58.000 -0.067 0.000 1.438 89 F CB 0.566 39.535 39.000 -0.052 0.000 1.107 89 F HN 0.376 nan 8.300 nan 0.000 0.546 90 L N 0.248 121.497 121.223 0.043 0.000 2.643 90 L HA 0.283 4.623 4.340 -0.000 0.000 0.256 90 L C -1.743 175.084 176.870 -0.071 0.000 0.931 90 L CA -0.533 54.270 54.840 -0.062 0.000 0.895 90 L CB 1.677 43.744 42.059 0.014 0.000 1.430 90 L HN -0.043 nan 8.230 nan 0.000 0.419 91 E N 1.724 121.846 120.200 -0.129 0.000 2.207 91 E HA 0.302 4.652 4.350 -0.000 0.000 0.270 91 E C -0.072 176.466 176.600 -0.103 0.000 0.927 91 E CA -0.701 55.636 56.400 -0.104 0.000 0.799 91 E CB 0.986 30.620 29.700 -0.110 0.000 1.172 91 E HN 0.668 nan 8.360 nan 0.000 0.404 92 N N 0.972 119.636 118.700 -0.060 0.000 2.417 92 N HA -0.210 4.530 4.740 -0.000 0.000 0.187 92 N C 1.065 176.549 175.510 -0.045 0.000 1.027 92 N CA 1.192 54.223 53.050 -0.032 0.000 0.891 92 N CB -0.315 38.160 38.487 -0.019 0.000 0.956 92 N HN 0.197 nan 8.380 nan 0.000 0.442 93 S N 0.028 115.677 115.700 -0.085 0.000 2.345 93 S HA -0.093 4.377 4.470 -0.000 0.000 0.220 93 S C 1.771 176.264 174.600 -0.178 0.000 1.031 93 S CA 1.549 59.688 58.200 -0.102 0.000 0.996 93 S CB -0.753 62.386 63.200 -0.102 0.000 0.882 93 S HN 0.514 nan 8.310 nan 0.000 0.445 94 T N 1.508 115.869 114.554 -0.321 0.000 2.684 94 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 94 T C 0.589 174.827 174.700 -0.769 0.000 1.032 94 T CA 1.507 63.224 62.100 -0.638 0.000 1.155 94 T CB -0.442 67.837 68.868 -0.981 0.000 0.857 94 T HN 0.383 nan 8.240 nan 0.000 0.457 95 F N 0.869 120.734 119.950 -0.141 0.000 2.928 95 F HA 0.369 4.896 4.527 -0.000 0.000 0.337 95 F C 0.978 176.773 175.800 -0.009 0.000 1.259 95 F CA -1.355 56.589 58.000 -0.093 0.000 1.267 95 F CB 0.052 38.939 39.000 -0.189 0.000 0.986 95 F HN -0.078 nan 8.300 nan 0.000 0.507 96 D N 0.757 121.204 120.400 0.078 0.000 2.117 96 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 96 D C 0.721 177.071 176.300 0.084 0.000 0.987 96 D CA 1.449 55.486 54.000 0.062 0.000 0.829 96 D CB 0.091 40.898 40.800 0.011 0.000 0.961 96 D HN 0.394 nan 8.370 nan 0.000 0.460 97 E N -0.650 119.606 120.200 0.094 0.000 2.947 97 E HA 0.145 4.495 4.350 -0.000 0.000 0.229 97 E C 0.310 177.004 176.600 0.157 0.000 1.158 97 E CA -0.365 56.083 56.400 0.079 0.000 1.441 97 E CB -0.100 29.622 29.700 0.037 0.000 1.414 97 E HN 0.179 nan 8.360 nan 0.000 0.432 98 F N 0.424 120.400 119.950 0.043 0.000 2.293 98 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 98 F C 1.768 177.527 175.800 -0.068 0.000 1.089 98 F CA 1.329 59.347 58.000 0.031 0.000 1.377 98 F CB 0.449 39.454 39.000 0.008 0.000 1.051 98 F HN 0.414 nan 8.300 nan 0.000 0.511 99 G N -0.642 108.034 108.800 -0.206 0.000 2.241 99 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 99 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 99 G C 0.112 174.647 174.900 -0.609 0.000 0.998 99 G CA 0.236 45.082 45.100 -0.423 0.000 0.621 99 G HN 0.490 nan 8.290 nan 0.000 0.519 100 H N 0.180 119.003 119.070 -0.411 0.000 2.622 100 H HA 0.622 5.178 4.556 -0.000 0.000 0.363 100 H C -0.244 175.092 175.328 0.013 0.000 1.151 100 H CA 0.056 55.944 56.048 -0.267 0.000 1.184 100 H CB 1.738 31.120 29.762 -0.633 0.000 1.643 100 H HN 0.168 nan 8.280 nan 0.000 0.531 101 S N 2.337 118.136 115.700 0.164 0.000 2.510 101 S HA 0.188 4.658 4.470 -0.000 0.000 0.279 101 S C 0.263 174.956 174.600 0.156 0.000 1.284 101 S CA -0.632 57.648 58.200 0.133 0.000 1.059 101 S CB -0.516 62.742 63.200 0.096 0.000 0.901 101 S HN 0.366 nan 8.310 nan 0.000 0.491 102 I N 6.286 126.915 120.570 0.099 0.000 2.297 102 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 102 I C 1.663 177.789 176.117 0.016 0.000 1.033 102 I CA -0.386 60.942 61.300 0.047 0.000 1.253 102 I CB 0.822 38.773 38.000 -0.082 0.000 1.396 102 I HN 0.758 nan 8.210 nan 0.000 0.476 103 N N 4.086 122.791 118.700 0.008 0.000 2.171 103 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 103 N C 0.115 175.566 175.510 -0.098 0.000 1.021 103 N CA 1.277 54.282 53.050 -0.075 0.000 0.854 103 N CB 0.486 38.904 38.487 -0.115 0.000 0.994 103 N HN 0.653 nan 8.380 nan 0.000 0.426 104 D N -2.021 118.340 120.400 -0.064 0.000 2.653 104 D HA 0.194 4.834 4.640 -0.000 0.000 0.258 104 D C -1.435 174.866 176.300 0.002 0.000 1.252 104 D CA -0.506 53.441 54.000 -0.088 0.000 0.777 104 D CB 0.906 41.627 40.800 -0.132 0.000 1.339 104 D HN 0.137 nan 8.370 nan 0.000 0.422 105 Y N -0.880 119.434 120.300 0.024 0.000 2.659 105 Y HA 0.823 5.373 4.550 -0.000 0.000 0.333 105 Y C -0.692 175.289 175.900 0.135 0.000 1.064 105 Y CA -1.029 57.107 58.100 0.061 0.000 1.141 105 Y CB 1.848 40.333 38.460 0.041 0.000 1.316 105 Y HN 0.175 nan 8.280 nan 0.000 0.509 106 S N 1.529 117.493 115.700 0.441 0.000 2.550 106 S HA 0.453 4.923 4.470 -0.000 0.000 0.274 106 S C -1.627 173.291 174.600 0.530 0.000 1.110 106 S CA -0.603 57.848 58.200 0.420 0.000 1.013 106 S CB 0.013 63.426 63.200 0.354 0.000 1.152 106 S HN 0.697 nan 8.310 nan 0.000 0.450 107 I N 4.485 125.255 120.570 0.333 0.000 2.365 107 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 107 I C 1.028 176.951 176.117 -0.324 0.000 1.004 107 I CA -0.592 60.773 61.300 0.109 0.000 1.311 107 I CB 1.684 39.731 38.000 0.078 0.000 1.401 107 I HN 0.787 nan 8.210 nan 0.000 0.491 108 S N 6.119 121.293 115.700 -0.877 0.000 2.558 108 S HA 0.040 4.510 4.470 -0.000 0.000 0.291 108 S C -1.790 172.492 174.600 -0.530 0.000 1.306 108 S CA -0.829 56.502 58.200 -1.448 0.000 1.056 108 S CB 0.422 62.826 63.200 -1.327 0.000 0.836 108 S HN 0.448 nan 8.310 nan 0.000 0.504 109 P HA -0.128 nan 4.420 nan 0.000 0.217 109 P C 0.700 177.958 177.300 -0.071 0.000 1.148 109 P CA 1.581 64.600 63.100 -0.136 0.000 0.828 109 P CB -0.146 31.499 31.700 -0.092 0.000 0.783 110 D N -1.838 118.523 120.400 -0.066 0.000 2.370 110 D HA 0.114 4.754 4.640 -0.000 0.000 0.230 110 D C 1.416 177.734 176.300 0.031 0.000 1.143 110 D CA 0.152 54.162 54.000 0.016 0.000 0.834 110 D CB -1.156 39.689 40.800 0.075 0.000 0.944 110 D HN 0.189 nan 8.370 nan 0.000 0.504 111 G N 0.537 109.341 108.800 0.007 0.000 2.270 111 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.268 111 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.268 111 G C 1.117 176.050 174.900 0.056 0.000 0.982 111 G CA 0.770 45.923 45.100 0.090 0.000 0.628 111 G HN 0.485 nan 8.290 nan 0.000 0.544 112 Q N -1.321 118.449 119.800 -0.050 0.000 2.245 112 Q HA 0.292 4.632 4.340 -0.000 0.000 0.201 112 Q C 0.459 176.134 176.000 -0.543 0.000 0.955 112 Q CA 0.765 56.382 55.803 -0.310 0.000 0.870 112 Q CB 0.167 28.655 28.738 -0.417 0.000 0.945 112 Q HN 0.600 nan 8.270 nan 0.000 0.461 113 F N -0.886 119.021 119.950 -0.073 0.000 2.620 113 F HA 0.512 5.039 4.527 -0.000 0.000 0.320 113 F C -0.375 175.489 175.800 0.107 0.000 1.069 113 F CA -1.189 56.827 58.000 0.026 0.000 0.953 113 F CB 1.783 40.819 39.000 0.060 0.000 1.322 113 F HN -0.203 nan 8.300 nan 0.000 0.479 114 I N 3.010 123.887 120.570 0.513 0.000 2.571 114 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 114 I C -2.007 174.421 176.117 0.518 0.000 1.115 114 I CA -0.786 60.796 61.300 0.470 0.000 1.045 114 I CB 1.775 40.018 38.000 0.405 0.000 1.238 114 I HN 0.542 nan 8.210 nan 0.000 0.424 115 L N 8.316 129.881 121.223 0.569 0.000 2.289 115 L HA 0.544 4.884 4.340 -0.000 0.000 0.285 115 L C -1.394 175.644 176.870 0.281 0.000 1.049 115 L CA -0.105 54.993 54.840 0.430 0.000 0.804 115 L CB 1.146 43.441 42.059 0.393 0.000 1.195 115 L HN 0.515 nan 8.230 nan 0.000 0.428 116 L N 5.045 126.378 121.223 0.184 0.000 2.325 116 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 116 L C -0.421 176.494 176.870 0.075 0.000 1.004 116 L CA -0.426 54.429 54.840 0.026 0.000 0.823 116 L CB 1.721 43.602 42.059 -0.297 0.000 1.236 116 L HN 0.617 nan 8.230 nan 0.000 0.415 117 E N 4.016 124.208 120.200 -0.014 0.000 2.145 117 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 117 E C -1.728 174.810 176.600 -0.103 0.000 0.906 117 E CA -0.540 55.687 56.400 -0.289 0.000 0.761 117 E CB 1.168 30.773 29.700 -0.158 0.000 1.116 117 E HN 0.456 nan 8.360 nan 0.000 0.408 118 Y N 1.827 121.928 120.300 -0.332 0.000 2.655 118 Y HA 0.460 5.010 4.550 -0.000 0.000 0.336 118 Y C -0.256 175.547 175.900 -0.163 0.000 1.154 118 Y CA -1.521 56.483 58.100 -0.159 0.000 1.055 118 Y CB 0.698 39.132 38.460 -0.042 0.000 1.295 118 Y HN 0.504 nan 8.280 nan 0.000 0.465 119 N N -0.488 118.226 118.700 0.023 0.000 2.776 119 N HA -0.293 4.447 4.740 -0.000 0.000 0.249 119 N C -0.962 174.521 175.510 -0.046 0.000 1.111 119 N CA 0.924 53.952 53.050 -0.037 0.000 0.711 119 N CB -1.899 36.486 38.487 -0.169 0.000 1.065 119 N HN 0.907 nan 8.380 nan 0.000 0.556 120 Y N 0.483 120.698 120.300 -0.143 0.000 2.802 120 Y HA 0.199 4.749 4.550 -0.000 0.000 0.333 120 Y C 0.001 175.844 175.900 -0.094 0.000 1.244 120 Y CA 0.188 58.184 58.100 -0.174 0.000 1.558 120 Y CB 0.548 38.861 38.460 -0.244 0.000 1.233 120 Y HN 0.006 nan 8.280 nan 0.000 0.547 121 V N 8.493 128.110 119.914 -0.496 0.000 2.380 121 V HA 0.179 4.299 4.120 -0.000 0.000 0.286 121 V C -0.196 175.557 176.094 -0.569 0.000 1.015 121 V CA -1.324 60.739 62.300 -0.396 0.000 0.834 121 V CB 1.235 32.946 31.823 -0.187 0.000 1.009 121 V HN 0.743 nan 8.190 nan 0.000 0.428 122 K N 4.087 124.146 120.400 -0.568 0.000 2.436 122 K HA 0.189 4.509 4.320 -0.000 0.000 0.275 122 K C 0.386 176.830 176.600 -0.259 0.000 0.999 122 K CA 0.267 56.344 56.287 -0.349 0.000 0.980 122 K CB 1.076 33.572 32.500 -0.008 0.000 0.919 122 K HN 0.792 nan 8.250 nan 0.000 0.484 123 Q N 2.913 122.531 119.800 -0.302 0.000 2.968 123 Q HA 0.180 4.520 4.340 -0.000 0.000 0.245 123 Q C -0.043 175.723 176.000 -0.391 0.000 1.136 123 Q CA -0.410 55.026 55.803 -0.612 0.000 0.410 123 Q CB 0.065 28.242 28.738 -0.935 0.000 5.262 123 Q HN 0.718 nan 8.270 nan 0.000 0.356 124 W N 0.382 121.685 121.300 0.005 0.000 1.746 124 W HA 0.259 4.919 4.660 -0.000 0.000 0.569 124 W C 1.781 178.297 176.519 -0.004 0.000 2.047 124 W CA -0.503 56.880 57.345 0.064 0.000 2.328 124 W CB -0.132 29.363 29.460 0.058 0.000 2.372 124 W HN 0.416 nan 8.180 nan 0.000 0.797 125 R N -0.546 120.076 120.500 0.203 0.000 2.091 125 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 125 R C 1.675 177.821 176.300 -0.257 0.000 1.136 125 R CA 2.160 58.191 56.100 -0.116 0.000 0.959 125 R CB -0.502 29.578 30.300 -0.368 0.000 0.856 125 R HN 0.517 nan 8.270 nan 0.000 0.437 126 H N -1.090 118.047 119.070 0.113 0.000 2.927 126 H HA 0.204 4.760 4.556 -0.000 0.000 0.255 126 H C 0.456 175.812 175.328 0.046 0.000 0.974 126 H CA 0.442 56.561 56.048 0.119 0.000 1.199 126 H CB 0.207 30.015 29.762 0.078 0.000 1.447 126 H HN 0.220 nan 8.280 nan 0.000 0.467 127 S N 1.444 117.078 115.700 -0.110 0.000 2.585 127 S HA 0.345 4.815 4.470 -0.000 0.000 0.273 127 S C -0.291 174.097 174.600 -0.353 0.000 1.339 127 S CA -0.447 57.342 58.200 -0.686 0.000 1.028 127 S CB 0.620 62.850 63.200 -1.616 0.000 0.906 127 S HN 0.440 nan 8.310 nan 0.000 0.528 128 Y N -2.195 117.949 120.300 -0.259 0.000 2.779 128 Y HA 0.707 5.257 4.550 -0.000 0.000 0.340 128 Y C -0.723 175.127 175.900 -0.083 0.000 1.252 128 Y CA -0.921 57.013 58.100 -0.277 0.000 1.072 128 Y CB 0.533 38.743 38.460 -0.417 0.000 1.343 128 Y HN 0.869 nan 8.280 nan 0.000 0.450 129 T N -0.293 114.340 114.554 0.131 0.000 2.908 129 T HA 1.005 5.355 4.350 -0.000 0.000 0.290 129 T C -0.544 174.243 174.700 0.146 0.000 1.034 129 T CA -0.065 62.140 62.100 0.174 0.000 1.010 129 T CB 1.768 70.677 68.868 0.067 0.000 1.068 129 T HN 1.741 nan 8.240 nan 0.000 0.481 130 A N 1.207 124.107 122.820 0.132 0.000 2.568 130 A HA 0.857 5.177 4.320 -0.000 0.000 0.291 130 A C -0.558 176.848 177.584 -0.298 0.000 1.159 130 A CA -0.988 50.962 52.037 -0.145 0.000 0.679 130 A CB 1.264 20.106 19.000 -0.264 0.000 1.285 130 A HN 0.905 nan 8.150 nan 0.000 0.428 131 S N -0.940 114.334 115.700 -0.710 0.000 2.621 131 S HA 0.817 5.287 4.470 -0.000 0.000 0.302 131 S C -1.529 172.421 174.600 -1.084 0.000 1.093 131 S CA -0.162 57.555 58.200 -0.804 0.000 1.017 131 S CB 0.893 63.474 63.200 -1.033 0.000 1.077 131 S HN 0.470 nan 8.310 nan 0.000 0.517 132 Y N -0.011 120.053 120.300 -0.393 0.000 2.524 132 Y HA 0.529 5.079 4.550 -0.000 0.000 0.347 132 Y C -0.460 175.481 175.900 0.069 0.000 1.005 132 Y CA -0.826 57.194 58.100 -0.132 0.000 1.025 132 Y CB 1.927 40.266 38.460 -0.203 0.000 1.275 132 Y HN 0.511 nan 8.280 nan 0.000 0.460 133 D N 2.100 122.689 120.400 0.316 0.000 2.857 133 D HA 0.495 5.135 4.640 -0.000 0.000 0.227 133 D C -1.122 175.301 176.300 0.204 0.000 1.192 133 D CA -0.347 53.809 54.000 0.259 0.000 0.857 133 D CB 2.633 43.650 40.800 0.361 0.000 1.645 133 D HN 0.391 nan 8.370 nan 0.000 0.482 134 I N 1.858 122.549 120.570 0.201 0.000 2.336 134 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 134 I C -0.741 175.594 176.117 0.363 0.000 0.991 134 I CA -0.921 60.544 61.300 0.274 0.000 1.227 134 I CB 1.189 39.305 38.000 0.194 0.000 1.366 134 I HN 0.221 nan 8.210 nan 0.000 0.466 135 Y N 5.550 126.026 120.300 0.293 0.000 2.328 135 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 135 Y C -0.143 175.930 175.900 0.288 0.000 0.966 135 Y CA -0.729 57.536 58.100 0.276 0.000 1.136 135 Y CB 1.009 39.651 38.460 0.304 0.000 1.170 135 Y HN 0.518 nan 8.280 nan 0.000 0.470 136 D N 5.614 125.901 120.400 -0.188 0.000 2.343 136 D HA 0.063 4.703 4.640 -0.000 0.000 0.255 136 D C 0.461 176.449 176.300 -0.519 0.000 1.187 136 D CA 0.440 54.244 54.000 -0.327 0.000 0.875 136 D CB 1.230 41.881 40.800 -0.247 0.000 1.136 136 D HN 0.874 nan 8.370 nan 0.000 0.469 137 L N 3.908 124.902 121.223 -0.381 0.000 2.209 137 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 137 L C 2.137 178.851 176.870 -0.260 0.000 1.094 137 L CA 0.189 54.894 54.840 -0.225 0.000 0.790 137 L CB -0.154 41.824 42.059 -0.135 0.000 0.932 137 L HN 0.392 nan 8.230 nan 0.000 0.447 138 N N 0.834 119.344 118.700 -0.316 0.000 2.039 138 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 138 N C 1.252 176.637 175.510 -0.209 0.000 1.044 138 N CA 1.383 54.288 53.050 -0.240 0.000 0.847 138 N CB -0.257 38.085 38.487 -0.241 0.000 1.030 138 N HN 0.324 nan 8.380 nan 0.000 0.422 139 K N 1.340 121.597 120.400 -0.239 0.000 2.522 139 K HA 0.157 4.477 4.320 -0.000 0.000 0.194 139 K C -0.223 176.243 176.600 -0.223 0.000 1.026 139 K CA -0.175 55.997 56.287 -0.191 0.000 1.119 139 K CB 0.297 32.704 32.500 -0.154 0.000 0.856 139 K HN 0.104 nan 8.250 nan 0.000 0.513 140 R N 1.085 121.413 120.500 -0.287 0.000 3.266 140 R HA -0.224 4.116 4.340 -0.000 0.000 0.245 140 R C -0.563 175.530 176.300 -0.345 0.000 0.941 140 R CA 0.966 56.904 56.100 -0.271 0.000 0.638 140 R CB -2.364 27.892 30.300 -0.074 0.000 1.019 140 R HN 0.518 nan 8.270 nan 0.000 0.462 141 Q N -0.587 118.817 119.800 -0.661 0.000 2.501 141 Q HA 0.549 4.889 4.340 -0.000 0.000 0.288 141 Q C -0.853 174.959 176.000 -0.313 0.000 1.051 141 Q CA -1.178 54.434 55.803 -0.319 0.000 0.788 141 Q CB 1.690 30.349 28.738 -0.131 0.000 1.469 141 Q HN 0.055 nan 8.270 nan 0.000 0.416 142 L N 1.275 122.558 121.223 0.100 0.000 2.375 142 L HA 0.322 4.662 4.340 -0.000 0.000 0.271 142 L C -0.270 176.681 176.870 0.136 0.000 1.107 142 L CA -0.254 54.728 54.840 0.237 0.000 0.806 142 L CB 0.379 42.649 42.059 0.352 0.000 1.146 142 L HN 0.456 nan 8.230 nan 0.000 0.447 143 I N 2.260 122.919 120.570 0.148 0.000 2.363 143 I HA 0.078 4.248 4.170 -0.000 0.000 0.292 143 I C 1.157 177.326 176.117 0.085 0.000 1.075 143 I CA 0.217 61.579 61.300 0.103 0.000 1.333 143 I CB 0.654 38.714 38.000 0.101 0.000 1.415 143 I HN 0.789 nan 8.210 nan 0.000 0.502 144 T N 2.867 117.459 114.554 0.063 0.000 3.054 144 T HA 0.037 4.387 4.350 -0.000 0.000 0.259 144 T C 0.657 175.371 174.700 0.024 0.000 1.092 144 T CA 0.097 62.228 62.100 0.052 0.000 1.121 144 T CB 0.146 69.043 68.868 0.047 0.000 0.912 144 T HN 0.647 nan 8.240 nan 0.000 0.489 145 E N 1.202 121.409 120.200 0.011 0.000 2.299 145 E HA 0.261 4.611 4.350 -0.000 0.000 0.265 145 E C -0.806 175.776 176.600 -0.029 0.000 0.911 145 E CA -0.695 55.699 56.400 -0.011 0.000 0.789 145 E CB 1.032 30.728 29.700 -0.008 0.000 1.246 145 E HN 0.039 nan 8.360 nan 0.000 0.427 146 E N 0.570 120.739 120.200 -0.052 0.000 2.230 146 E HA -0.221 4.128 4.350 -0.000 0.000 0.206 146 E C -0.376 176.164 176.600 -0.101 0.000 1.309 146 E CA 0.658 57.011 56.400 -0.078 0.000 0.697 146 E CB -1.175 28.489 29.700 -0.060 0.000 1.146 146 E HN 0.510 nan 8.360 nan 0.000 0.363 147 R N -0.397 120.030 120.500 -0.122 0.000 2.574 147 R HA 0.515 4.855 4.340 -0.000 0.000 0.266 147 R C 1.070 177.199 176.300 -0.285 0.000 1.157 147 R CA -0.728 55.283 56.100 -0.149 0.000 1.187 147 R CB 0.610 30.851 30.300 -0.097 0.000 1.179 147 R HN 0.097 nan 8.270 nan 0.000 0.600 148 I N 2.860 123.222 120.570 -0.345 0.000 2.416 148 I HA 0.158 4.328 4.170 -0.000 0.000 0.288 148 I C -1.870 173.931 176.117 -0.526 0.000 1.051 148 I CA -1.991 58.936 61.300 -0.623 0.000 1.375 148 I CB 1.073 38.710 38.000 -0.604 0.000 1.407 148 I HN 0.263 nan 8.210 nan 0.000 0.516 149 P HA 0.013 nan 4.420 nan 0.000 0.268 149 P C -0.779 176.327 177.300 -0.323 0.000 1.208 149 P CA -0.186 62.528 63.100 -0.643 0.000 0.777 149 P CB 0.302 31.184 31.700 -1.363 0.000 0.875 150 N N 2.845 121.440 118.700 -0.175 0.000 2.479 150 N HA -0.000 4.740 4.740 -0.000 0.000 0.257 150 N C 0.440 176.010 175.510 0.099 0.000 1.232 150 N CA 0.477 53.485 53.050 -0.070 0.000 0.920 150 N CB -0.386 38.075 38.487 -0.044 0.000 1.105 150 N HN 0.419 nan 8.380 nan 0.000 0.444 151 N N -0.792 117.958 118.700 0.083 0.000 2.862 151 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 151 N C -0.935 174.746 175.510 0.284 0.000 1.116 151 N CA 0.564 53.712 53.050 0.163 0.000 0.727 151 N CB -1.507 37.092 38.487 0.185 0.000 1.083 151 N HN 0.474 nan 8.380 nan 0.000 0.555 152 T N 0.798 115.507 114.554 0.259 0.000 2.884 152 T HA 0.167 4.517 4.350 -0.000 0.000 0.298 152 T C 1.701 176.562 174.700 0.269 0.000 0.998 152 T CA 0.092 62.362 62.100 0.282 0.000 1.124 152 T CB 1.358 70.288 68.868 0.103 0.000 0.931 152 T HN 0.144 nan 8.240 nan 0.000 0.531 153 Q N 1.694 121.645 119.800 0.253 0.000 2.297 153 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 153 Q C 0.171 176.355 176.000 0.307 0.000 0.931 153 Q CA 0.379 56.350 55.803 0.280 0.000 0.885 153 Q CB 0.883 29.757 28.738 0.227 0.000 0.991 153 Q HN 0.686 nan 8.270 nan 0.000 0.498 154 W N 0.390 121.661 121.300 -0.049 0.000 3.372 154 W HA 0.498 5.158 4.660 -0.000 0.000 0.315 154 W C -2.136 174.300 176.519 -0.138 0.000 1.223 154 W CA -0.672 56.598 57.345 -0.125 0.000 1.202 154 W CB 1.513 30.828 29.460 -0.242 0.000 1.367 154 W HN -0.339 nan 8.180 nan 0.000 0.531 155 V N 3.521 122.743 119.914 -1.153 0.000 2.789 155 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 155 V C -0.320 175.106 176.094 -1.113 0.000 1.073 155 V CA -0.603 61.120 62.300 -0.962 0.000 0.921 155 V CB 1.800 32.965 31.823 -1.096 0.000 1.009 155 V HN 0.500 nan 8.190 nan 0.000 0.426 156 T N 2.461 116.691 114.554 -0.540 0.000 2.982 156 T HA 0.528 4.878 4.350 -0.000 0.000 0.321 156 T C -1.487 173.190 174.700 -0.038 0.000 1.229 156 T CA -0.370 61.600 62.100 -0.216 0.000 1.044 156 T CB 0.921 69.902 68.868 0.188 0.000 1.184 156 T HN 0.499 nan 8.240 nan 0.000 0.477 157 W N 2.848 124.181 121.300 0.056 0.000 2.093 157 W HA 0.463 5.123 4.660 -0.000 0.000 0.352 157 W C 1.221 177.557 176.519 -0.306 0.000 1.294 157 W CA -0.481 56.837 57.345 -0.046 0.000 1.290 157 W CB 0.541 29.971 29.460 -0.050 0.000 1.149 157 W HN 0.805 nan 8.180 nan 0.000 0.606 158 S N 1.055 116.428 115.700 -0.545 0.000 2.579 158 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 158 S C -1.871 172.434 174.600 -0.491 0.000 1.345 158 S CA -0.970 56.391 58.200 -1.398 0.000 1.031 158 S CB 0.972 63.339 63.200 -1.389 0.000 0.892 158 S HN 0.271 nan 8.310 nan 0.000 0.529 159 P HA 0.079 nan 4.420 nan 0.000 0.230 159 P C 0.057 177.305 177.300 -0.088 0.000 1.158 159 P CA 0.505 63.548 63.100 -0.094 0.000 0.769 159 P CB -0.190 31.505 31.700 -0.010 0.000 0.807 160 V N -6.527 113.292 119.914 -0.159 0.000 3.114 160 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 160 V C 0.352 176.342 176.094 -0.173 0.000 1.168 160 V CA -0.398 61.830 62.300 -0.119 0.000 1.015 160 V CB 1.124 32.898 31.823 -0.082 0.000 1.050 160 V HN 0.355 nan 8.190 nan 0.000 0.433 161 G N 2.148 110.866 108.800 -0.138 0.000 2.525 161 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.248 161 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.248 161 G C 0.145 174.947 174.900 -0.163 0.000 1.238 161 G CA 0.670 45.644 45.100 -0.210 0.000 0.926 161 G HN 2.516 nan 8.290 nan 0.000 0.574 162 H N -0.689 118.377 119.070 -0.007 0.000 2.885 162 H HA 0.424 4.980 4.556 -0.000 0.000 0.237 162 H C 0.465 175.935 175.328 0.237 0.000 1.229 162 H CA -0.131 55.971 56.048 0.089 0.000 0.947 162 H CB -0.119 29.685 29.762 0.070 0.000 2.223 162 H HN 0.497 nan 8.280 nan 0.000 0.628 163 K N 1.633 122.049 120.400 0.028 0.000 2.380 163 K HA 0.341 4.660 4.320 -0.000 0.000 0.267 163 K C -0.369 176.315 176.600 0.141 0.000 0.990 163 K CA 0.003 56.309 56.287 0.030 0.000 0.946 163 K CB 1.179 33.558 32.500 -0.202 0.000 0.937 163 K HN 0.195 nan 8.250 nan 0.000 0.491 164 L N 1.434 122.754 121.223 0.162 0.000 2.381 164 L HA 0.600 4.940 4.340 -0.000 0.000 0.268 164 L C -0.992 176.032 176.870 0.256 0.000 0.997 164 L CA -0.850 54.037 54.840 0.079 0.000 0.818 164 L CB 2.099 44.065 42.059 -0.155 0.000 1.310 164 L HN 0.713 nan 8.230 nan 0.000 0.416 165 A N 2.881 125.848 122.820 0.245 0.000 2.393 165 A HA 0.800 5.120 4.320 -0.000 0.000 0.306 165 A C -1.613 175.969 177.584 -0.003 0.000 1.050 165 A CA -0.374 51.711 52.037 0.079 0.000 0.724 165 A CB 1.333 20.317 19.000 -0.025 0.000 1.248 165 A HN 0.655 nan 8.150 nan 0.000 0.424 166 Y N -0.515 119.733 120.300 -0.088 0.000 2.615 166 Y HA 0.793 5.343 4.550 -0.000 0.000 0.341 166 Y C -1.212 174.692 175.900 0.007 0.000 1.089 166 Y CA -1.545 56.480 58.100 -0.125 0.000 1.049 166 Y CB 1.252 39.569 38.460 -0.239 0.000 1.296 166 Y HN 0.404 nan 8.280 nan 0.000 0.470 167 V N 2.019 122.064 119.914 0.217 0.000 2.495 167 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 167 V C -1.482 174.838 176.094 0.376 0.000 1.031 167 V CA -0.633 61.779 62.300 0.187 0.000 0.871 167 V CB 1.386 33.234 31.823 0.041 0.000 0.988 167 V HN 0.877 nan 8.190 nan 0.000 0.432 168 W N 4.746 126.149 121.300 0.172 0.000 3.042 168 W HA 0.449 5.109 4.660 -0.000 0.000 0.337 168 W C 0.258 176.833 176.519 0.094 0.000 1.086 168 W CA -0.811 56.607 57.345 0.122 0.000 1.236 168 W CB 1.248 30.756 29.460 0.081 0.000 1.381 168 W HN 0.787 nan 8.180 nan 0.000 0.472 169 N N 5.702 124.082 118.700 -0.532 0.000 2.702 169 N HA -0.368 4.372 4.740 -0.000 0.000 0.255 169 N C 0.010 175.378 175.510 -0.237 0.000 0.983 169 N CA 1.140 53.894 53.050 -0.492 0.000 0.768 169 N CB -1.055 36.966 38.487 -0.777 0.000 0.918 169 N HN 0.760 nan 8.380 nan 0.000 0.540 170 N N -2.301 116.323 118.700 -0.126 0.000 2.829 170 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 170 N C -1.357 174.084 175.510 -0.116 0.000 1.090 170 N CA 0.944 53.932 53.050 -0.103 0.000 0.781 170 N CB -0.395 37.990 38.487 -0.169 0.000 1.124 170 N HN 0.492 nan 8.380 nan 0.000 0.559 171 D N 0.459 120.800 120.400 -0.099 0.000 2.490 171 D HA 0.518 5.158 4.640 -0.000 0.000 0.232 171 D C 0.016 176.157 176.300 -0.266 0.000 1.053 171 D CA -0.376 53.482 54.000 -0.238 0.000 0.914 171 D CB 1.868 42.475 40.800 -0.322 0.000 1.431 171 D HN -0.002 nan 8.370 nan 0.000 0.483 172 I N 1.410 121.663 120.570 -0.528 0.000 2.392 172 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 172 I C -0.814 174.868 176.117 -0.725 0.000 0.985 172 I CA -0.577 60.410 61.300 -0.522 0.000 1.221 172 I CB 0.720 38.343 38.000 -0.628 0.000 1.366 172 I HN 0.151 nan 8.210 nan 0.000 0.467 173 Y N 4.117 124.035 120.300 -0.637 0.000 2.499 173 Y HA 0.645 5.195 4.550 -0.000 0.000 0.347 173 Y C -0.310 175.249 175.900 -0.568 0.000 0.987 173 Y CA -0.988 56.706 58.100 -0.676 0.000 1.044 173 Y CB 2.082 39.903 38.460 -1.065 0.000 1.245 173 Y HN 0.123 nan 8.280 nan 0.000 0.461 174 V N 2.777 122.631 119.914 -0.100 0.000 2.540 174 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 174 V C -0.705 175.512 176.094 0.206 0.000 1.035 174 V CA -1.390 60.936 62.300 0.043 0.000 0.873 174 V CB 1.917 33.770 31.823 0.049 0.000 0.992 174 V HN 0.611 nan 8.190 nan 0.000 0.428 175 K N 4.152 124.675 120.400 0.205 0.000 2.394 175 K HA 0.489 4.809 4.320 -0.000 0.000 0.260 175 K C 0.346 177.066 176.600 0.200 0.000 0.967 175 K CA -0.693 55.721 56.287 0.211 0.000 0.855 175 K CB 1.792 34.374 32.500 0.137 0.000 1.101 175 K HN 0.457 nan 8.250 nan 0.000 0.433 176 I N 1.102 121.813 120.570 0.235 0.000 2.286 176 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 176 I C 0.577 176.795 176.117 0.169 0.000 1.104 176 I CA 1.476 62.879 61.300 0.171 0.000 1.397 176 I CB -0.238 37.864 38.000 0.169 0.000 1.072 176 I HN 0.509 nan 8.210 nan 0.000 0.417 177 E N 0.184 120.478 120.200 0.157 0.000 2.256 177 E HA 0.281 4.631 4.350 -0.000 0.000 0.267 177 E C -1.859 174.745 176.600 0.007 0.000 0.892 177 E CA -2.119 54.352 56.400 0.119 0.000 0.775 177 E CB 1.521 31.290 29.700 0.115 0.000 1.207 177 E HN -0.129 nan 8.360 nan 0.000 0.420 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 0.862 178.111 177.300 -0.085 0.000 1.150 178 P CA 1.348 64.329 63.100 -0.198 0.000 0.843 178 P CB 0.272 31.660 31.700 -0.521 0.000 0.787 179 N N -1.356 117.318 118.700 -0.043 0.000 2.353 179 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 179 N C 0.290 175.800 175.510 -0.000 0.000 1.098 179 N CA 0.251 53.299 53.050 -0.002 0.000 0.872 179 N CB -0.336 38.169 38.487 0.031 0.000 0.970 179 N HN 0.109 nan 8.380 nan 0.000 0.467 180 L N 1.420 122.648 121.223 0.009 0.000 2.439 180 L HA 0.445 4.785 4.340 -0.000 0.000 0.259 180 L C -2.093 174.761 176.870 -0.026 0.000 1.129 180 L CA -1.998 52.846 54.840 0.007 0.000 0.803 180 L CB 0.417 42.505 42.059 0.048 0.000 1.161 180 L HN -0.075 nan 8.230 nan 0.000 0.462 181 P HA 0.120 nan 4.420 nan 0.000 0.268 181 P C -1.101 176.091 177.300 -0.181 0.000 1.204 181 P CA -0.343 62.681 63.100 -0.128 0.000 0.768 181 P CB 0.451 32.051 31.700 -0.167 0.000 0.842 182 S N 2.398 118.043 115.700 -0.093 0.000 2.584 182 S HA 0.370 4.840 4.470 -0.000 0.000 0.273 182 S C -0.590 173.972 174.600 -0.064 0.000 1.311 182 S CA -0.506 57.698 58.200 0.006 0.000 1.034 182 S CB 0.060 63.346 63.200 0.144 0.000 0.939 182 S HN 0.263 nan 8.310 nan 0.000 0.513 183 Y N 0.529 120.856 120.300 0.045 0.000 2.308 183 Y HA 0.415 4.965 4.550 -0.000 0.000 0.329 183 Y C 1.137 176.984 175.900 -0.089 0.000 1.111 183 Y CA -0.849 57.259 58.100 0.013 0.000 1.179 183 Y CB 0.855 39.318 38.460 0.004 0.000 1.201 183 Y HN 0.506 nan 8.280 nan 0.000 0.483 184 R N 3.745 124.219 120.500 -0.042 0.000 2.265 184 R HA 0.220 4.560 4.340 -0.000 0.000 0.314 184 R C 0.176 176.245 176.300 -0.386 0.000 1.053 184 R CA -0.018 55.768 56.100 -0.524 0.000 0.931 184 R CB 0.570 30.377 30.300 -0.822 0.000 1.024 184 R HN 0.786 nan 8.270 nan 0.000 0.457 185 I N 1.448 121.693 120.570 -0.542 0.000 2.556 185 I HA -0.025 4.145 4.170 -0.000 0.000 0.251 185 I C 1.274 177.206 176.117 -0.308 0.000 1.105 185 I CA 0.969 62.069 61.300 -0.333 0.000 1.436 185 I CB -0.721 37.055 38.000 -0.374 0.000 1.139 185 I HN 0.507 nan 8.210 nan 0.000 0.438 186 T N -3.519 110.730 114.554 -0.508 0.000 2.912 186 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 186 T C -0.600 173.873 174.700 -0.379 0.000 1.030 186 T CA -0.496 61.410 62.100 -0.323 0.000 1.020 186 T CB 2.028 70.661 68.868 -0.391 0.000 1.056 186 T HN 0.198 nan 8.240 nan 0.000 0.480 187 W N 0.365 121.552 121.300 -0.187 0.000 2.702 187 W HA 0.231 4.891 4.660 -0.000 0.000 0.369 187 W C 1.926 178.387 176.519 -0.096 0.000 0.987 187 W CA -0.136 57.133 57.345 -0.127 0.000 1.702 187 W CB 0.253 29.660 29.460 -0.089 0.000 1.138 187 W HN 0.929 nan 8.180 nan 0.000 0.552 188 T N -2.882 111.712 114.554 0.067 0.000 3.065 188 T HA 0.242 4.592 4.350 -0.000 0.000 0.252 188 T C 1.362 176.056 174.700 -0.009 0.000 1.099 188 T CA 0.277 62.400 62.100 0.038 0.000 1.063 188 T CB -0.255 68.631 68.868 0.029 0.000 0.948 188 T HN 0.002 nan 8.240 nan 0.000 0.506 189 G N 1.518 110.284 108.800 -0.058 0.000 2.224 189 G HA2 0.313 4.273 3.960 -0.000 0.000 0.239 189 G HA3 0.313 4.273 3.960 -0.000 0.000 0.239 189 G C -0.548 174.288 174.900 -0.106 0.000 1.240 189 G CA -0.316 44.726 45.100 -0.097 0.000 0.896 189 G HN 0.608 nan 8.290 nan 0.000 0.496 190 K N 2.016 122.331 120.400 -0.143 0.000 2.588 190 K HA 0.223 4.543 4.320 -0.000 0.000 0.250 190 K C -0.190 176.288 176.600 -0.204 0.000 0.972 190 K CA -0.729 55.476 56.287 -0.137 0.000 0.821 190 K CB 1.444 33.898 32.500 -0.077 0.000 1.249 190 K HN 0.625 nan 8.250 nan 0.000 0.442 191 E N 4.015 124.105 120.200 -0.184 0.000 2.694 191 E HA -0.138 4.212 4.350 -0.000 0.000 0.250 191 E C -0.654 175.849 176.600 -0.162 0.000 0.963 191 E CA 0.923 57.211 56.400 -0.187 0.000 0.949 191 E CB 0.172 29.797 29.700 -0.126 0.000 0.911 191 E HN 0.643 nan 8.360 nan 0.000 0.500 192 D N 2.832 123.099 120.400 -0.222 0.000 3.076 192 D HA -0.209 4.431 4.640 -0.000 0.000 0.218 192 D C 0.357 176.654 176.300 -0.006 0.000 1.156 192 D CA 1.339 55.316 54.000 -0.038 0.000 0.921 192 D CB -0.603 40.236 40.800 0.064 0.000 1.113 192 D HN 0.475 nan 8.370 nan 0.000 0.418 193 I N -1.386 119.097 120.570 -0.145 0.000 3.685 193 I HA 0.100 4.270 4.170 -0.000 0.000 0.258 193 I C 0.711 176.845 176.117 0.028 0.000 1.135 193 I CA 0.314 61.616 61.300 0.004 0.000 1.436 193 I CB 0.017 38.017 38.000 0.000 0.000 1.670 193 I HN -0.150 nan 8.210 nan 0.000 0.424 194 I N 1.982 122.497 120.570 -0.093 0.000 2.362 194 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 194 I C -1.159 174.901 176.117 -0.096 0.000 0.994 194 I CA -0.666 60.643 61.300 0.016 0.000 1.158 194 I CB 0.702 38.715 38.000 0.022 0.000 1.315 194 I HN 0.056 nan 8.210 nan 0.000 0.451 195 Y N 4.878 125.267 120.300 0.149 0.000 2.334 195 Y HA 0.391 4.941 4.550 -0.000 0.000 0.336 195 Y C 0.431 176.389 175.900 0.097 0.000 0.960 195 Y CA -0.682 57.505 58.100 0.146 0.000 1.164 195 Y CB 1.039 39.666 38.460 0.278 0.000 1.155 195 Y HN 0.414 nan 8.280 nan 0.000 0.478 196 N N 2.336 121.093 118.700 0.094 0.000 2.444 196 N HA 0.345 5.085 4.740 -0.000 0.000 0.262 196 N C 0.817 176.249 175.510 -0.130 0.000 0.974 196 N CA 0.456 53.477 53.050 -0.048 0.000 0.933 196 N CB 1.837 40.194 38.487 -0.217 0.000 1.137 196 N HN 0.997 nan 8.380 nan 0.000 0.498 197 G N 1.587 110.319 108.800 -0.114 0.000 2.176 197 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 197 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 197 G C 0.111 174.855 174.900 -0.260 0.000 0.979 197 G CA 0.594 45.561 45.100 -0.222 0.000 0.641 197 G HN 0.654 nan 8.290 nan 0.000 0.530 198 I N -1.728 118.761 120.570 -0.135 0.000 2.969 198 I HA 0.810 4.980 4.170 -0.000 0.000 0.307 198 I C 0.251 176.370 176.117 0.004 0.000 1.149 198 I CA -0.674 60.447 61.300 -0.298 0.000 1.008 198 I CB 1.995 39.657 38.000 -0.563 0.000 1.232 198 I HN 0.151 nan 8.210 nan 0.000 0.435 199 T N -0.447 114.037 114.554 -0.116 0.000 2.918 199 T HA 0.358 4.707 4.350 -0.000 0.000 0.283 199 T C -0.109 174.350 174.700 -0.401 0.000 1.001 199 T CA -0.657 61.252 62.100 -0.318 0.000 1.041 199 T CB 1.412 70.209 68.868 -0.119 0.000 1.028 199 T HN 0.765 nan 8.240 nan 0.000 0.511 200 D N 0.357 120.251 120.400 -0.844 0.000 2.376 200 D HA 0.001 4.641 4.640 -0.000 0.000 0.268 200 D C 1.041 177.267 176.300 -0.125 0.000 1.252 200 D CA -0.908 52.649 54.000 -0.738 0.000 1.041 200 D CB -0.045 40.299 40.800 -0.760 0.000 1.109 200 D HN 0.679 nan 8.370 nan 0.000 0.552 201 W N -0.281 120.968 121.300 -0.086 0.000 2.353 201 W HA -0.172 4.488 4.660 0.000 0.000 0.319 201 W C 2.205 178.627 176.519 -0.161 0.000 1.207 201 W CA 2.319 59.614 57.345 -0.083 0.000 1.291 201 W CB -0.558 28.795 29.460 -0.178 0.000 1.159 201 W HN 0.159 nan 8.180 nan 0.000 0.478 202 V N -0.112 119.816 119.914 0.023 0.000 2.548 202 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 202 V C 1.855 177.719 176.094 -0.382 0.000 1.055 202 V CA 1.851 64.034 62.300 -0.196 0.000 1.065 202 V CB -0.735 31.028 31.823 -0.099 0.000 0.681 202 V HN 0.299 nan 8.190 nan 0.000 0.462 203 Y N 0.820 120.903 120.300 -0.362 0.000 2.242 203 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 203 Y C 2.583 178.323 175.900 -0.267 0.000 1.137 203 Y CA 2.176 60.051 58.100 -0.376 0.000 1.181 203 Y CB -0.052 38.077 38.460 -0.550 0.000 0.989 203 Y HN 0.418 nan 8.280 nan 0.000 0.527 204 E N 0.349 120.479 120.200 -0.116 0.000 2.047 204 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 204 E C 1.990 178.513 176.600 -0.127 0.000 0.987 204 E CA 1.575 57.946 56.400 -0.050 0.000 0.799 204 E CB -0.005 29.694 29.700 -0.003 0.000 0.752 204 E HN 0.425 nan 8.360 nan 0.000 0.449 205 E N 0.079 120.017 120.200 -0.436 0.000 2.086 205 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 205 E C 1.596 178.031 176.600 -0.276 0.000 0.975 205 E CA 1.273 57.403 56.400 -0.450 0.000 0.813 205 E CB 0.221 29.271 29.700 -1.083 0.000 0.768 205 E HN 0.200 nan 8.360 nan 0.000 0.457 206 E N -0.566 119.431 120.200 -0.338 0.000 2.447 206 E HA 0.067 4.417 4.350 -0.000 0.000 0.204 206 E C 1.680 178.094 176.600 -0.311 0.000 0.977 206 E CA 0.777 57.026 56.400 -0.252 0.000 0.950 206 E CB 1.170 30.720 29.700 -0.251 0.000 0.975 206 E HN 0.291 nan 8.360 nan 0.000 0.496 207 V N -1.534 118.136 119.914 -0.407 0.000 2.840 207 V HA 0.112 4.232 4.120 -0.000 0.000 0.234 207 V C 1.264 177.111 176.094 -0.411 0.000 1.159 207 V CA 0.385 62.378 62.300 -0.511 0.000 1.194 207 V CB -0.306 31.030 31.823 -0.811 0.000 0.971 207 V HN -0.032 nan 8.190 nan 0.000 0.494 208 F N 1.767 121.709 119.950 -0.014 0.000 2.789 208 F HA 0.437 4.964 4.527 -0.000 0.000 0.300 208 F C 1.748 177.486 175.800 -0.102 0.000 1.132 208 F CA 0.532 58.535 58.000 0.005 0.000 1.404 208 F CB -0.625 38.420 39.000 0.075 0.000 1.114 208 F HN 0.239 nan 8.300 nan 0.000 0.584 209 S N 0.181 115.864 115.700 -0.028 0.000 3.477 209 S HA -0.067 4.403 4.470 -0.000 0.000 0.357 209 S C 0.202 174.349 174.600 -0.755 0.000 1.083 209 S CA 0.497 58.555 58.200 -0.235 0.000 1.042 209 S CB -1.612 61.532 63.200 -0.093 0.000 0.911 209 S HN 0.627 nan 8.310 nan 0.000 0.490 210 A N -0.790 121.787 122.820 -0.405 0.000 2.604 210 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 210 A C -0.184 177.327 177.584 -0.122 0.000 1.067 210 A CA -0.509 51.311 52.037 -0.362 0.000 0.683 210 A CB 0.464 19.311 19.000 -0.255 0.000 1.281 210 A HN 0.214 nan 8.150 nan 0.000 0.407 211 Y N 1.615 121.712 120.300 -0.338 0.000 2.269 211 Y HA 0.142 4.692 4.550 -0.000 0.000 0.294 211 Y C 1.672 177.265 175.900 -0.512 0.000 1.120 211 Y CA 1.179 59.093 58.100 -0.310 0.000 1.159 211 Y CB -0.146 38.149 38.460 -0.274 0.000 1.024 211 Y HN 0.667 nan 8.280 nan 0.000 0.532 212 S N 0.716 115.848 115.700 -0.946 0.000 2.546 212 S HA 0.327 4.797 4.470 -0.000 0.000 0.290 212 S C 0.300 174.351 174.600 -0.915 0.000 1.290 212 S CA 0.272 57.678 58.200 -1.323 0.000 1.069 212 S CB 0.129 62.285 63.200 -1.741 0.000 0.846 212 S HN 0.453 nan 8.310 nan 0.000 0.495 213 A N 4.876 127.179 122.820 -0.861 0.000 2.959 213 A HA 0.527 4.847 4.320 -0.000 0.000 0.280 213 A C -0.849 175.985 177.584 -1.250 0.000 0.953 213 A CA -0.654 50.802 52.037 -0.968 0.000 1.047 213 A CB -0.322 18.534 19.000 -0.240 0.000 1.147 213 A HN 0.814 nan 8.150 nan 0.000 0.489 214 L N -4.380 115.998 121.223 -1.407 0.000 2.409 214 L HA 0.865 5.205 4.340 -0.000 0.000 0.262 214 L C -1.206 175.118 176.870 -0.911 0.000 0.992 214 L CA -1.370 52.902 54.840 -0.947 0.000 0.817 214 L CB 0.968 42.759 42.059 -0.447 0.000 1.350 214 L HN 0.247 nan 8.230 nan 0.000 0.411 215 W N 1.312 122.598 121.300 -0.023 0.000 2.756 215 W HA 0.352 5.012 4.660 -0.000 0.000 0.333 215 W C -1.452 175.223 176.519 0.260 0.000 1.025 215 W CA -0.731 56.723 57.345 0.183 0.000 1.246 215 W CB 1.555 31.191 29.460 0.294 0.000 1.358 215 W HN 0.602 nan 8.180 nan 0.000 0.444 216 W N 2.291 123.777 121.300 0.311 0.000 2.170 216 W HA 0.230 4.890 4.660 -0.000 0.000 0.336 216 W C 1.282 177.543 176.519 -0.430 0.000 1.283 216 W CA 0.274 57.647 57.345 0.046 0.000 1.224 216 W CB 0.784 30.256 29.460 0.020 0.000 1.132 216 W HN 0.196 nan 8.180 nan 0.000 0.571 217 S N 2.496 117.818 115.700 -0.629 0.000 2.585 217 S HA 0.174 4.644 4.470 -0.000 0.000 0.273 217 S C -1.724 172.623 174.600 -0.422 0.000 1.339 217 S CA -1.009 56.354 58.200 -1.396 0.000 1.028 217 S CB 1.183 63.619 63.200 -1.274 0.000 0.906 217 S HN 0.278 nan 8.310 nan 0.000 0.528 218 P HA -0.189 nan 4.420 nan 0.000 0.217 218 P C 0.929 178.201 177.300 -0.047 0.000 1.158 218 P CA 1.803 64.874 63.100 -0.048 0.000 0.887 218 P CB -0.207 31.509 31.700 0.026 0.000 0.792 219 N N -2.196 116.466 118.700 -0.062 0.000 2.270 219 N HA 0.128 4.868 4.740 -0.000 0.000 0.198 219 N C 1.073 176.519 175.510 -0.108 0.000 1.117 219 N CA 0.603 53.612 53.050 -0.067 0.000 0.845 219 N CB -0.580 37.883 38.487 -0.039 0.000 0.980 219 N HN 0.206 nan 8.380 nan 0.000 0.486 220 G N -1.138 107.605 108.800 -0.094 0.000 2.175 220 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 220 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 220 G C 0.948 175.876 174.900 0.047 0.000 0.982 220 G CA 0.592 45.644 45.100 -0.080 0.000 0.641 220 G HN 0.356 nan 8.290 nan 0.000 0.527 221 T N 0.042 114.553 114.554 -0.072 0.000 2.708 221 T HA 0.182 4.532 4.350 -0.000 0.000 0.266 221 T C 0.779 175.305 174.700 -0.290 0.000 1.037 221 T CA 1.370 63.312 62.100 -0.263 0.000 1.146 221 T CB -0.105 68.482 68.868 -0.469 0.000 0.865 221 T HN 0.296 nan 8.240 nan 0.000 0.435 222 F N 0.217 120.189 119.950 0.036 0.000 2.458 222 F HA 0.555 5.082 4.527 -0.000 0.000 0.330 222 F C -0.076 175.752 175.800 0.046 0.000 1.082 222 F CA -1.253 56.788 58.000 0.069 0.000 0.995 222 F CB 1.177 40.258 39.000 0.134 0.000 1.170 222 F HN -0.090 nan 8.300 nan 0.000 0.478 223 L N 3.188 124.510 121.223 0.166 0.000 2.318 223 L HA 0.669 5.009 4.340 -0.000 0.000 0.277 223 L C -0.540 176.391 176.870 0.102 0.000 1.008 223 L CA -0.500 54.259 54.840 -0.135 0.000 0.846 223 L CB 0.751 42.504 42.059 -0.511 0.000 1.220 223 L HN 0.804 nan 8.230 nan 0.000 0.423 224 A N 4.972 127.933 122.820 0.234 0.000 2.302 224 A HA 0.693 5.013 4.320 -0.000 0.000 0.285 224 A C -1.203 176.421 177.584 0.067 0.000 1.105 224 A CA -0.223 51.847 52.037 0.055 0.000 0.816 224 A CB 0.789 19.877 19.000 0.147 0.000 1.067 224 A HN 0.729 nan 8.150 nan 0.000 0.489 225 Y N -2.256 117.829 120.300 -0.359 0.000 2.624 225 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 225 Y C -0.323 175.372 175.900 -0.342 0.000 1.155 225 Y CA -0.879 57.079 58.100 -0.237 0.000 1.046 225 Y CB 0.807 39.115 38.460 -0.254 0.000 1.316 225 Y HN 0.913 nan 8.280 nan 0.000 0.457 226 A N 2.012 124.877 122.820 0.076 0.000 2.294 226 A HA 0.683 5.003 4.320 -0.000 0.000 0.330 226 A C -1.115 176.363 177.584 -0.176 0.000 1.133 226 A CA -0.824 51.133 52.037 -0.134 0.000 0.836 226 A CB 1.707 20.625 19.000 -0.137 0.000 1.190 226 A HN 0.800 nan 8.150 nan 0.000 0.492 227 Q N 0.734 120.344 119.800 -0.317 0.000 2.337 227 Q HA 0.604 4.944 4.340 -0.000 0.000 0.270 227 Q C -2.160 173.589 176.000 -0.418 0.000 1.043 227 Q CA -0.371 55.340 55.803 -0.153 0.000 0.794 227 Q CB 1.220 30.114 28.738 0.261 0.000 1.281 227 Q HN 0.591 nan 8.270 nan 0.000 0.446 228 F N 2.417 122.475 119.950 0.179 0.000 2.467 228 F HA 0.387 4.914 4.527 -0.000 0.000 0.336 228 F C 0.302 176.257 175.800 0.258 0.000 1.123 228 F CA -0.924 57.163 58.000 0.146 0.000 0.964 228 F CB 1.488 40.499 39.000 0.017 0.000 1.136 228 F HN 0.409 nan 8.300 nan 0.000 0.447 229 N N 2.260 121.176 118.700 0.360 0.000 2.469 229 N HA 0.194 4.934 4.740 -0.000 0.000 0.253 229 N C -0.728 174.956 175.510 0.291 0.000 0.970 229 N CA -0.187 53.034 53.050 0.286 0.000 0.940 229 N CB 1.069 39.671 38.487 0.193 0.000 1.128 229 N HN 0.596 nan 8.380 nan 0.000 0.503 230 D N 1.369 121.958 120.400 0.316 0.000 2.424 230 D HA 0.136 4.776 4.640 -0.000 0.000 0.220 230 D C 1.215 177.633 176.300 0.197 0.000 1.150 230 D CA 0.108 54.279 54.000 0.285 0.000 0.831 230 D CB 0.613 41.654 40.800 0.402 0.000 0.981 230 D HN 0.451 nan 8.370 nan 0.000 0.500 231 T N 0.223 114.871 114.554 0.157 0.000 2.624 231 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 231 T C 1.366 176.125 174.700 0.098 0.000 1.041 231 T CA 1.391 63.557 62.100 0.111 0.000 1.159 231 T CB -0.050 68.872 68.868 0.090 0.000 0.863 231 T HN 0.214 nan 8.240 nan 0.000 0.434 232 E N 0.240 120.499 120.200 0.097 0.000 2.444 232 E HA 0.162 4.512 4.350 -0.000 0.000 0.191 232 E C -0.445 176.208 176.600 0.088 0.000 1.041 232 E CA -0.263 56.185 56.400 0.080 0.000 0.883 232 E CB 0.524 30.264 29.700 0.067 0.000 1.024 232 E HN 0.184 nan 8.360 nan 0.000 0.470 233 V N 4.246 124.228 119.914 0.112 0.000 2.479 233 V HA 0.074 4.194 4.120 -0.000 0.000 0.281 233 V C -1.778 174.380 176.094 0.106 0.000 1.031 233 V CA -1.369 61.002 62.300 0.117 0.000 1.038 233 V CB 0.070 31.982 31.823 0.149 0.000 0.981 233 V HN 0.117 nan 8.190 nan 0.000 0.478 234 P HA 0.217 nan 4.420 nan 0.000 0.272 234 P C -0.756 176.591 177.300 0.078 0.000 1.230 234 P CA -0.256 62.889 63.100 0.074 0.000 0.788 234 P CB 0.823 32.564 31.700 0.068 0.000 0.949 235 L N 1.532 122.778 121.223 0.039 0.000 2.309 235 L HA 0.419 4.759 4.340 -0.000 0.000 0.282 235 L C 0.668 177.504 176.870 -0.058 0.000 1.036 235 L CA -1.158 53.687 54.840 0.009 0.000 0.806 235 L CB 1.080 43.134 42.059 -0.008 0.000 1.220 235 L HN 0.284 nan 8.230 nan 0.000 0.429 236 I N 2.910 123.398 120.570 -0.138 0.000 2.395 236 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 236 I C -0.188 175.781 176.117 -0.247 0.000 1.023 236 I CA 0.154 61.273 61.300 -0.302 0.000 1.350 236 I CB 0.747 38.319 38.000 -0.713 0.000 1.409 236 I HN 0.624 nan 8.210 nan 0.000 0.507 237 E N 7.482 127.561 120.200 -0.203 0.000 2.238 237 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 237 E C -1.738 174.800 176.600 -0.102 0.000 0.887 237 E CA -0.741 55.539 56.400 -0.201 0.000 0.769 237 E CB 1.911 31.515 29.700 -0.159 0.000 1.187 237 E HN 0.572 nan 8.360 nan 0.000 0.416 238 Y N -1.672 118.531 120.300 -0.162 0.000 2.581 238 Y HA 0.533 5.083 4.550 -0.000 0.000 0.337 238 Y C -0.871 174.946 175.900 -0.139 0.000 1.108 238 Y CA -1.302 56.706 58.100 -0.153 0.000 1.033 238 Y CB 1.028 39.396 38.460 -0.153 0.000 1.318 238 Y HN 0.337 nan 8.280 nan 0.000 0.459 239 S N 2.343 118.031 115.700 -0.019 0.000 2.565 239 S HA 0.427 4.897 4.470 -0.000 0.000 0.276 239 S C -1.240 173.191 174.600 -0.283 0.000 1.326 239 S CA -0.282 57.766 58.200 -0.254 0.000 1.045 239 S CB 0.222 63.152 63.200 -0.449 0.000 0.918 239 S HN 0.537 nan 8.310 nan 0.000 0.505 240 F N 2.039 121.713 119.950 -0.459 0.000 2.507 240 F HA 0.454 4.981 4.527 -0.000 0.000 0.325 240 F C -0.250 175.293 175.800 -0.428 0.000 1.116 240 F CA -0.809 56.982 58.000 -0.348 0.000 0.930 240 F CB 1.022 39.971 39.000 -0.085 0.000 1.146 240 F HN 0.661 nan 8.300 nan 0.000 0.447 241 Y N 2.418 122.513 120.300 -0.342 0.000 2.503 241 Y HA 0.197 4.747 4.550 -0.000 0.000 0.277 241 Y C 1.555 177.414 175.900 -0.068 0.000 1.102 241 Y CA 0.784 58.790 58.100 -0.156 0.000 1.261 241 Y CB -0.284 38.066 38.460 -0.183 0.000 1.096 241 Y HN 0.738 nan 8.280 nan 0.000 0.546 242 S N -0.060 115.635 115.700 -0.008 0.000 3.513 242 S HA -0.216 4.254 4.470 -0.000 0.000 0.636 242 S C -0.667 173.998 174.600 0.108 0.000 2.452 242 S CA 0.276 58.581 58.200 0.175 0.000 2.644 242 S CB -1.076 62.285 63.200 0.269 0.000 0.331 242 S HN 0.462 nan 8.310 nan 0.000 1.787 243 D N 2.054 122.523 120.400 0.116 0.000 2.423 243 D HA 0.140 4.780 4.640 -0.000 0.000 0.238 243 D C 1.471 177.808 176.300 0.062 0.000 1.142 243 D CA 0.668 54.714 54.000 0.077 0.000 0.884 243 D CB 0.314 41.157 40.800 0.072 0.000 1.199 243 D HN 0.697 nan 8.370 nan 0.000 0.438 244 E N 0.005 120.227 120.200 0.038 0.000 2.401 244 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 244 E C 1.096 177.713 176.600 0.027 0.000 1.023 244 E CA 0.919 57.333 56.400 0.023 0.000 0.859 244 E CB -0.067 29.635 29.700 0.004 0.000 0.780 244 E HN 0.326 nan 8.360 nan 0.000 0.523 245 S N 0.930 116.653 115.700 0.037 0.000 2.447 245 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 245 S C 1.219 175.849 174.600 0.051 0.000 1.006 245 S CA 0.161 58.384 58.200 0.038 0.000 0.957 245 S CB -0.305 62.920 63.200 0.040 0.000 0.773 245 S HN 0.354 nan 8.310 nan 0.000 0.507 246 L N 2.909 124.172 121.223 0.067 0.000 2.456 246 L HA 0.159 4.499 4.340 -0.000 0.000 0.277 246 L C 1.453 178.374 176.870 0.084 0.000 1.124 246 L CA 0.179 55.072 54.840 0.088 0.000 0.880 246 L CB 0.952 43.078 42.059 0.111 0.000 1.192 246 L HN 0.445 nan 8.230 nan 0.000 0.463 247 Q N 4.658 124.517 119.800 0.099 0.000 2.049 247 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 247 Q C -0.577 175.419 176.000 -0.006 0.000 0.971 247 Q CA 1.348 57.183 55.803 0.052 0.000 0.833 247 Q CB 0.145 28.944 28.738 0.102 0.000 0.896 247 Q HN 0.634 nan 8.270 nan 0.000 0.434 248 Y N 0.828 121.147 120.300 0.032 0.000 2.341 248 Y HA 0.387 4.937 4.550 -0.000 0.000 0.337 248 Y C -2.035 173.888 175.900 0.039 0.000 1.014 248 Y CA -3.024 55.094 58.100 0.030 0.000 1.111 248 Y CB 1.166 39.634 38.460 0.013 0.000 1.194 248 Y HN 0.168 nan 8.280 nan 0.000 0.462 249 P HA 0.004 nan 4.420 nan 0.000 0.266 249 P C -0.591 176.739 177.300 0.050 0.000 1.195 249 P CA -0.315 62.839 63.100 0.089 0.000 0.768 249 P CB 0.645 32.372 31.700 0.045 0.000 0.838 250 K N 1.660 122.074 120.400 0.024 0.000 2.249 250 K HA 0.244 4.564 4.320 -0.000 0.000 0.280 250 K C -0.523 176.040 176.600 -0.061 0.000 1.033 250 K CA -0.214 56.077 56.287 0.006 0.000 0.946 250 K CB 0.392 32.918 32.500 0.044 0.000 1.005 250 K HN 0.347 nan 8.250 nan 0.000 0.469 251 T N 3.450 117.952 114.554 -0.087 0.000 2.727 251 T HA 0.164 4.514 4.350 -0.000 0.000 0.298 251 T C -0.308 174.267 174.700 -0.209 0.000 0.942 251 T CA -0.578 61.434 62.100 -0.148 0.000 0.997 251 T CB 0.747 69.544 68.868 -0.118 0.000 0.917 251 T HN 0.268 nan 8.240 nan 0.000 0.487 252 V N 6.327 126.026 119.914 -0.359 0.000 2.614 252 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 252 V C 0.624 176.439 176.094 -0.466 0.000 1.049 252 V CA -0.364 61.663 62.300 -0.456 0.000 1.038 252 V CB 0.352 31.706 31.823 -0.781 0.000 0.980 252 V HN 0.778 nan 8.190 nan 0.000 0.481 253 R N 3.503 123.851 120.500 -0.254 0.000 2.628 253 R HA 0.835 5.175 4.340 -0.000 0.000 0.288 253 R C -2.155 174.110 176.300 -0.058 0.000 0.980 253 R CA -0.684 55.307 56.100 -0.181 0.000 0.891 253 R CB 1.914 32.142 30.300 -0.121 0.000 1.188 253 R HN 0.353 nan 8.270 nan 0.000 0.450 254 V N 2.956 122.843 119.914 -0.045 0.000 2.623 254 V HA 0.350 4.470 4.120 -0.000 0.000 0.304 254 V C -2.456 173.687 176.094 0.082 0.000 1.054 254 V CA -2.184 60.155 62.300 0.066 0.000 0.882 254 V CB 2.480 34.306 31.823 0.004 0.000 1.002 254 V HN 0.706 nan 8.190 nan 0.000 0.424 255 P HA 0.168 nan 4.420 nan 0.000 0.266 255 P C -1.393 176.031 177.300 0.207 0.000 1.215 255 P CA 0.366 63.580 63.100 0.190 0.000 0.763 255 P CB -0.146 31.710 31.700 0.260 0.000 0.806 256 Y N 6.122 126.418 120.300 -0.006 0.000 2.287 256 Y HA 0.356 4.906 4.550 0.000 0.000 0.321 256 Y C -2.863 173.025 175.900 -0.019 0.000 1.173 256 Y CA -2.733 55.319 58.100 -0.081 0.000 1.124 256 Y CB 1.746 40.035 38.460 -0.285 0.000 1.201 256 Y HN 0.271 nan 8.280 nan 0.000 0.421 257 P HA 0.288 nan 4.420 nan 0.000 0.288 257 P C -0.817 176.528 177.300 0.075 0.000 1.363 257 P CA -0.210 62.930 63.100 0.067 0.000 0.837 257 P CB 1.127 32.845 31.700 0.030 0.000 0.981 258 K N 1.955 122.502 120.400 0.245 0.000 2.132 258 K HA 0.446 4.766 4.320 -0.000 0.000 0.240 258 K C 0.658 177.356 176.600 0.163 0.000 1.036 258 K CA -0.612 55.830 56.287 0.259 0.000 0.888 258 K CB 0.360 33.031 32.500 0.285 0.000 1.071 258 K HN 0.428 nan 8.250 nan 0.000 0.502 259 A N 0.714 123.651 122.820 0.194 0.000 2.545 259 A HA 0.302 4.622 4.320 -0.000 0.000 0.253 259 A C 1.178 178.803 177.584 0.067 0.000 1.074 259 A CA 0.854 52.993 52.037 0.169 0.000 0.760 259 A CB -1.177 18.006 19.000 0.305 0.000 1.005 259 A HN 0.884 nan 8.150 nan 0.000 0.506 260 G N 0.946 109.775 108.800 0.049 0.000 2.179 260 G HA2 0.087 4.047 3.960 -0.000 0.000 0.260 260 G HA3 0.087 4.047 3.960 -0.000 0.000 0.260 260 G C 0.710 175.621 174.900 0.019 0.000 0.977 260 G CA 0.809 45.910 45.100 0.002 0.000 0.641 260 G HN 2.093 nan 8.290 nan 0.000 0.533 261 A N -0.599 122.250 122.820 0.048 0.000 2.260 261 A HA 0.750 5.070 4.320 -0.000 0.000 0.278 261 A C 0.804 178.421 177.584 0.054 0.000 1.269 261 A CA 0.389 52.460 52.037 0.055 0.000 0.824 261 A CB 0.456 19.506 19.000 0.082 0.000 1.238 261 A HN 1.131 nan 8.150 nan 0.000 0.507 262 V N 2.166 122.116 119.914 0.060 0.000 2.455 262 V HA 0.108 4.228 4.120 -0.000 0.000 0.273 262 V C 0.152 176.293 176.094 0.077 0.000 1.045 262 V CA -0.431 61.905 62.300 0.060 0.000 0.976 262 V CB 0.088 31.948 31.823 0.061 0.000 0.993 262 V HN 0.749 nan 8.190 nan 0.000 0.475 263 N N 6.344 125.089 118.700 0.074 0.000 2.445 263 N HA 0.429 5.169 4.740 -0.000 0.000 0.264 263 N C -2.261 173.330 175.510 0.135 0.000 1.227 263 N CA -1.428 51.685 53.050 0.104 0.000 0.963 263 N CB 0.683 39.225 38.487 0.091 0.000 1.188 263 N HN 0.386 nan 8.380 nan 0.000 0.491 264 P HA 0.079 nan 4.420 nan 0.000 0.271 264 P C -0.544 176.898 177.300 0.236 0.000 1.244 264 P CA -0.050 63.204 63.100 0.256 0.000 0.793 264 P CB 0.252 32.164 31.700 0.352 0.000 0.984 265 T N -2.676 112.011 114.554 0.222 0.000 2.924 265 T HA 0.602 4.952 4.350 -0.000 0.000 0.291 265 T C -0.518 174.295 174.700 0.189 0.000 1.045 265 T CA -0.884 61.300 62.100 0.139 0.000 1.015 265 T CB 1.560 70.480 68.868 0.086 0.000 1.103 265 T HN 0.339 nan 8.240 nan 0.000 0.496 266 V N 0.721 120.711 119.914 0.126 0.000 2.823 266 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 266 V C -1.432 174.711 176.094 0.083 0.000 1.072 266 V CA -0.806 61.537 62.300 0.070 0.000 0.937 266 V CB 2.005 33.908 31.823 0.132 0.000 1.013 266 V HN 1.050 nan 8.190 nan 0.000 0.430 267 K N 4.079 124.468 120.400 -0.019 0.000 2.482 267 K HA 0.583 4.903 4.320 -0.000 0.000 0.257 267 K C -1.984 174.510 176.600 -0.175 0.000 0.969 267 K CA -0.473 55.775 56.287 -0.064 0.000 0.842 267 K CB 2.783 35.214 32.500 -0.115 0.000 1.359 267 K HN 0.574 nan 8.250 nan 0.000 0.441 268 F N 2.048 121.676 119.950 -0.537 0.000 2.529 268 F HA 0.566 5.093 4.527 -0.000 0.000 0.320 268 F C -1.509 173.745 175.800 -0.909 0.000 1.118 268 F CA -0.556 57.121 58.000 -0.538 0.000 0.915 268 F CB 0.892 39.726 39.000 -0.276 0.000 1.161 268 F HN 0.376 nan 8.300 nan 0.000 0.445 269 F N 4.059 123.402 119.950 -1.012 0.000 2.603 269 F HA 0.767 5.294 4.527 -0.000 0.000 0.317 269 F C -0.993 174.268 175.800 -0.899 0.000 1.066 269 F CA -1.211 56.285 58.000 -0.839 0.000 0.941 269 F CB 2.070 40.446 39.000 -1.040 0.000 1.291 269 F HN 0.096 nan 8.300 nan 0.000 0.472 270 V N 2.401 122.180 119.914 -0.225 0.000 2.709 270 V HA 0.689 4.809 4.120 -0.000 0.000 0.308 270 V C -1.154 175.063 176.094 0.205 0.000 1.062 270 V CA -0.858 61.389 62.300 -0.089 0.000 0.901 270 V CB 2.049 33.681 31.823 -0.318 0.000 1.003 270 V HN 0.632 nan 8.190 nan 0.000 0.425 271 V N 3.922 124.006 119.914 0.284 0.000 2.823 271 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 271 V C -0.392 175.911 176.094 0.349 0.000 1.072 271 V CA -0.640 61.840 62.300 0.301 0.000 0.937 271 V CB 2.118 34.059 31.823 0.197 0.000 1.013 271 V HN 0.996 nan 8.190 nan 0.000 0.430 272 N N 2.954 121.811 118.700 0.261 0.000 2.437 272 N HA 0.208 4.948 4.740 -0.000 0.000 0.243 272 N C 1.208 176.689 175.510 -0.048 0.000 1.041 272 N CA 0.343 53.416 53.050 0.038 0.000 0.940 272 N CB 1.201 39.688 38.487 -0.000 0.000 1.133 272 N HN 0.919 nan 8.380 nan 0.000 0.506 273 T N -0.012 114.502 114.554 -0.067 0.000 3.035 273 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 273 T C 0.828 175.452 174.700 -0.128 0.000 1.109 273 T CA 0.797 62.857 62.100 -0.067 0.000 1.119 273 T CB 0.077 68.993 68.868 0.079 0.000 0.900 273 T HN 0.383 nan 8.240 nan 0.000 0.503 274 D N 2.208 122.520 120.400 -0.146 0.000 2.234 274 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 274 D C 1.306 177.539 176.300 -0.110 0.000 0.962 274 D CA 1.010 54.931 54.000 -0.132 0.000 0.855 274 D CB -0.065 40.644 40.800 -0.152 0.000 0.951 274 D HN 0.635 nan 8.370 nan 0.000 0.500 275 S N 0.415 116.055 115.700 -0.100 0.000 2.560 275 S HA 0.352 4.822 4.470 -0.000 0.000 0.227 275 S C 0.302 174.855 174.600 -0.078 0.000 1.280 275 S CA -0.595 57.569 58.200 -0.060 0.000 1.260 275 S CB -0.253 62.940 63.200 -0.013 0.000 1.002 275 S HN 0.010 nan 8.310 nan 0.000 0.509 276 L N 1.070 122.184 121.223 -0.183 0.000 2.357 276 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 276 L C 1.392 178.194 176.870 -0.114 0.000 1.080 276 L CA -0.444 54.227 54.840 -0.282 0.000 0.803 276 L CB 1.669 43.242 42.059 -0.811 0.000 1.174 276 L HN 0.471 nan 8.230 nan 0.000 0.443 277 S N 0.386 116.140 115.700 0.089 0.000 2.527 277 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 277 S C 1.238 176.027 174.600 0.315 0.000 1.046 277 S CA 0.794 59.105 58.200 0.184 0.000 0.929 277 S CB 0.112 63.388 63.200 0.128 0.000 0.851 277 S HN 0.989 nan 8.310 nan 0.000 0.565 278 S N -1.121 114.793 115.700 0.358 0.000 2.765 278 S HA -0.145 4.325 4.470 -0.000 0.000 0.266 278 S C 0.732 175.403 174.600 0.119 0.000 1.302 278 S CA 1.151 59.462 58.200 0.184 0.000 1.274 278 S CB -2.069 61.181 63.200 0.083 0.000 1.559 278 S HN 0.666 nan 8.310 nan 0.000 0.658 279 V N 0.664 120.651 119.914 0.122 0.000 3.539 279 V HA 0.346 4.466 4.120 -0.000 0.000 0.262 279 V C 0.843 176.982 176.094 0.075 0.000 1.381 279 V CA 1.011 63.360 62.300 0.082 0.000 1.060 279 V CB 0.892 32.754 31.823 0.065 0.000 0.842 279 V HN 0.687 nan 8.190 nan 0.000 0.445 280 T N 0.976 115.587 114.554 0.096 0.000 2.863 280 T HA 0.413 4.763 4.350 -0.000 0.000 0.285 280 T C -0.342 174.427 174.700 0.116 0.000 1.009 280 T CA -0.547 61.600 62.100 0.079 0.000 0.989 280 T CB 1.528 70.434 68.868 0.064 0.000 1.004 280 T HN 0.047 nan 8.240 nan 0.000 0.455 281 N N 1.859 120.613 118.700 0.090 0.000 2.353 281 N HA 0.264 5.004 4.740 -0.000 0.000 0.248 281 N C 0.157 175.739 175.510 0.120 0.000 1.240 281 N CA -0.014 53.117 53.050 0.135 0.000 0.862 281 N CB 0.367 38.866 38.487 0.020 0.000 1.086 281 N HN 0.870 nan 8.380 nan 0.000 0.453 282 A N 1.888 124.796 122.820 0.146 0.000 2.440 282 A HA 0.202 4.522 4.320 -0.000 0.000 0.251 282 A C 0.343 177.980 177.584 0.089 0.000 1.089 282 A CA -0.080 52.016 52.037 0.098 0.000 0.779 282 A CB 0.043 19.085 19.000 0.070 0.000 1.022 282 A HN 0.539 nan 8.150 nan 0.000 0.492 283 T N 3.065 117.674 114.554 0.092 0.000 2.727 283 T HA 0.315 4.665 4.350 -0.000 0.000 0.295 283 T C 0.367 175.150 174.700 0.137 0.000 0.915 283 T CA 0.427 62.591 62.100 0.107 0.000 1.066 283 T CB 0.074 69.012 68.868 0.117 0.000 0.891 283 T HN 0.570 nan 8.240 nan 0.000 0.516 284 S N 3.925 119.697 115.700 0.121 0.000 2.508 284 S HA 0.472 4.941 4.470 -0.000 0.000 0.284 284 S C -0.003 174.745 174.600 0.246 0.000 1.192 284 S CA -0.797 57.495 58.200 0.154 0.000 1.070 284 S CB 0.436 63.642 63.200 0.010 0.000 1.004 284 S HN 0.450 nan 8.310 nan 0.000 0.493 285 I N 3.211 123.965 120.570 0.307 0.000 2.321 285 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 285 I C 0.481 176.777 176.117 0.299 0.000 0.998 285 I CA -0.423 61.075 61.300 0.329 0.000 1.227 285 I CB 1.202 39.449 38.000 0.412 0.000 1.368 285 I HN 0.669 nan 8.210 nan 0.000 0.466 286 Q N 6.037 125.985 119.800 0.247 0.000 2.293 286 Q HA 0.475 4.815 4.340 -0.000 0.000 0.251 286 Q C -1.058 174.916 176.000 -0.043 0.000 0.930 286 Q CA -0.355 55.393 55.803 -0.093 0.000 0.893 286 Q CB 1.292 29.926 28.738 -0.173 0.000 1.215 286 Q HN 0.548 nan 8.270 nan 0.000 0.425 287 I N 4.163 124.671 120.570 -0.102 0.000 2.359 287 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 287 I C 0.338 176.419 176.117 -0.059 0.000 1.018 287 I CA -0.690 60.595 61.300 -0.024 0.000 1.173 287 I CB 1.437 39.437 38.000 0.000 0.000 1.326 287 I HN 0.715 nan 8.210 nan 0.000 0.462 288 T N 3.024 117.516 114.554 -0.103 0.000 2.856 288 T HA 0.466 4.816 4.350 -0.000 0.000 0.306 288 T C 0.615 175.109 174.700 -0.343 0.000 1.062 288 T CA -0.811 61.178 62.100 -0.184 0.000 1.083 288 T CB 1.147 69.912 68.868 -0.172 0.000 0.984 288 T HN 0.582 nan 8.240 nan 0.000 0.542 289 A N 2.873 125.304 122.820 -0.648 0.000 2.429 289 A HA 0.488 4.808 4.320 -0.000 0.000 0.242 289 A C -2.033 175.063 177.584 -0.814 0.000 1.088 289 A CA -1.297 49.932 52.037 -1.347 0.000 0.784 289 A CB -1.058 17.019 19.000 -1.538 0.000 1.038 289 A HN 0.745 nan 8.150 nan 0.000 0.501 290 P HA 0.172 nan 4.420 nan 0.000 0.268 290 P C 0.629 177.692 177.300 -0.395 0.000 1.208 290 P CA 0.720 63.546 63.100 -0.456 0.000 0.777 290 P CB 0.623 32.103 31.700 -0.366 0.000 0.875 291 A N 1.946 124.616 122.820 -0.250 0.000 1.969 291 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 291 A C 2.016 179.487 177.584 -0.188 0.000 1.169 291 A CA 2.003 53.917 52.037 -0.205 0.000 0.635 291 A CB -1.597 17.320 19.000 -0.139 0.000 0.810 291 A HN 0.596 nan 8.150 nan 0.000 0.445 292 S N -0.413 115.199 115.700 -0.147 0.000 2.399 292 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 292 S C 1.829 176.359 174.600 -0.116 0.000 1.022 292 S CA 1.531 59.678 58.200 -0.088 0.000 0.983 292 S CB -0.368 62.853 63.200 0.035 0.000 0.803 292 S HN 0.405 nan 8.310 nan 0.000 0.480 293 M N 1.063 120.530 119.600 -0.221 0.000 2.288 293 M HA 0.255 4.735 4.480 -0.000 0.000 0.266 293 M C 1.962 177.945 176.300 -0.529 0.000 1.072 293 M CA 0.884 55.968 55.300 -0.361 0.000 1.132 293 M CB -1.287 30.977 32.600 -0.560 0.000 1.386 293 M HN 0.311 nan 8.290 nan 0.000 0.432 294 L N 0.627 121.565 121.223 -0.476 0.000 2.549 294 L HA -0.084 4.256 4.340 -0.000 0.000 0.229 294 L C 2.020 178.799 176.870 -0.153 0.000 1.158 294 L CA 0.375 55.010 54.840 -0.341 0.000 0.842 294 L CB -0.537 41.360 42.059 -0.270 0.000 0.952 294 L HN 0.297 nan 8.230 nan 0.000 0.452 295 I N -3.320 117.172 120.570 -0.131 0.000 3.564 295 I HA 0.340 4.510 4.170 -0.000 0.000 0.294 295 I C 0.848 176.941 176.117 -0.041 0.000 1.289 295 I CA 0.064 61.318 61.300 -0.077 0.000 1.325 295 I CB -0.403 37.548 38.000 -0.082 0.000 1.039 295 I HN 0.036 nan 8.210 nan 0.000 0.474 296 G N 0.001 108.793 108.800 -0.013 0.000 2.430 296 G HA2 0.184 4.144 3.960 -0.000 0.000 0.300 296 G HA3 0.184 4.144 3.960 -0.000 0.000 0.300 296 G C -1.866 173.097 174.900 0.105 0.000 1.330 296 G CA -0.735 44.378 45.100 0.021 0.000 0.813 296 G HN 0.027 nan 8.290 nan 0.000 0.487 297 D N 1.198 121.627 120.400 0.048 0.000 2.449 297 D HA 0.415 5.055 4.640 -0.000 0.000 0.236 297 D C 0.512 176.808 176.300 -0.007 0.000 1.149 297 D CA 0.822 54.813 54.000 -0.015 0.000 0.878 297 D CB 0.457 41.190 40.800 -0.112 0.000 1.198 297 D HN 0.572 nan 8.370 nan 0.000 0.446 298 H N -1.060 117.860 119.070 -0.250 0.000 2.928 298 H HA 0.477 5.033 4.556 -0.000 0.000 0.285 298 H C -1.313 173.805 175.328 -0.351 0.000 1.438 298 H CA -0.821 55.072 56.048 -0.259 0.000 1.176 298 H CB 0.347 30.108 29.762 -0.002 0.000 1.864 298 H HN 0.339 nan 8.280 nan 0.000 0.567 299 Y N -0.137 120.355 120.300 0.320 0.000 2.553 299 Y HA 0.418 4.968 4.550 -0.000 0.000 0.347 299 Y C -0.430 175.692 175.900 0.371 0.000 1.019 299 Y CA -1.153 57.121 58.100 0.289 0.000 1.032 299 Y CB 2.064 40.552 38.460 0.047 0.000 1.284 299 Y HN 0.497 nan 8.280 nan 0.000 0.466 300 L N 2.958 124.447 121.223 0.445 0.000 2.276 300 L HA 0.491 4.831 4.340 -0.000 0.000 0.286 300 L C 0.316 177.185 176.870 -0.002 0.000 1.061 300 L CA -0.161 54.584 54.840 -0.157 0.000 0.807 300 L CB 0.578 42.449 42.059 -0.313 0.000 1.177 300 L HN 0.999 nan 8.230 nan 0.000 0.429 301 C N 0.765 119.953 119.300 -0.187 0.000 3.724 301 C HA 0.613 5.073 4.460 -0.000 0.000 0.327 301 C C 0.022 174.942 174.990 -0.117 0.000 1.490 301 C CA -0.093 58.803 59.018 -0.203 0.000 1.825 301 C CB -1.229 26.421 27.740 -0.151 0.000 2.613 301 C HN 0.894 nan 8.230 nan 0.000 0.692 302 D N 0.252 120.557 120.400 -0.157 0.000 2.886 302 D HA 0.472 5.112 4.640 -0.000 0.000 0.216 302 D C -1.272 174.775 176.300 -0.421 0.000 1.256 302 D CA -0.176 53.740 54.000 -0.140 0.000 0.844 302 D CB 2.327 43.029 40.800 -0.162 0.000 1.669 302 D HN 0.421 nan 8.370 nan 0.000 0.513 303 V N 1.892 121.479 119.914 -0.544 0.000 2.577 303 V HA 0.885 5.004 4.120 -0.000 0.000 0.303 303 V C -1.419 174.297 176.094 -0.632 0.000 1.042 303 V CA 0.022 61.804 62.300 -0.864 0.000 0.872 303 V CB 1.897 32.868 31.823 -1.421 0.000 0.998 303 V HN 0.643 nan 8.190 nan 0.000 0.423 304 T N 6.424 120.675 114.554 -0.505 0.000 3.031 304 T HA 0.395 4.745 4.350 -0.000 0.000 0.305 304 T C -1.002 173.539 174.700 -0.266 0.000 0.985 304 T CA -0.168 61.791 62.100 -0.236 0.000 1.008 304 T CB 0.793 69.592 68.868 -0.114 0.000 1.005 304 T HN 0.791 nan 8.240 nan 0.000 0.444 305 W N 2.088 123.321 121.300 -0.112 0.000 2.181 305 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 305 W C 1.111 177.499 176.519 -0.218 0.000 1.310 305 W CA -0.133 57.136 57.345 -0.126 0.000 1.226 305 W CB 0.566 30.032 29.460 0.011 0.000 1.155 305 W HN 0.828 nan 8.180 nan 0.000 0.565 306 A N 1.528 124.258 122.820 -0.150 0.000 1.988 306 A HA 0.212 4.532 4.320 -0.000 0.000 0.201 306 A C 0.861 178.381 177.584 -0.108 0.000 1.410 306 A CA 1.302 53.012 52.037 -0.545 0.000 0.832 306 A CB -0.357 17.808 19.000 -1.391 0.000 0.981 306 A HN 0.515 nan 8.150 nan 0.000 0.492 307 T N -5.132 109.460 114.554 0.065 0.000 2.645 307 T HA 0.352 4.702 4.350 -0.000 0.000 0.273 307 T C 0.368 175.213 174.700 0.243 0.000 0.960 307 T CA -0.311 61.877 62.100 0.147 0.000 1.051 307 T CB 0.666 69.612 68.868 0.128 0.000 1.366 307 T HN -0.041 nan 8.240 nan 0.000 0.536 308 Q N 0.395 120.314 119.800 0.200 0.000 2.226 308 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 308 Q C 0.940 177.166 176.000 0.376 0.000 0.975 308 Q CA 1.467 57.397 55.803 0.211 0.000 0.866 308 Q CB -0.072 28.758 28.738 0.154 0.000 0.915 308 Q HN 0.806 nan 8.270 nan 0.000 0.440 309 E N -0.210 120.221 120.200 0.385 0.000 2.810 309 E HA 0.186 4.536 4.350 -0.000 0.000 0.214 309 E C -0.157 176.732 176.600 0.482 0.000 0.980 309 E CA -0.176 56.486 56.400 0.436 0.000 1.159 309 E CB 1.096 30.967 29.700 0.284 0.000 1.047 309 E HN -0.017 nan 8.360 nan 0.000 0.484 310 R N 1.613 122.387 120.500 0.455 0.000 2.575 310 R HA 0.534 4.874 4.340 -0.000 0.000 0.293 310 R C -1.646 174.681 176.300 0.046 0.000 0.983 310 R CA -0.431 55.821 56.100 0.254 0.000 0.887 310 R CB 1.447 31.788 30.300 0.068 0.000 1.184 310 R HN 0.046 nan 8.270 nan 0.000 0.445 311 I N 3.162 123.588 120.570 -0.240 0.000 2.545 311 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 311 I C -0.974 174.806 176.117 -0.562 0.000 1.040 311 I CA -0.493 60.374 61.300 -0.722 0.000 1.068 311 I CB 2.267 39.392 38.000 -1.458 0.000 1.251 311 I HN 0.848 nan 8.210 nan 0.000 0.424 312 S N 7.483 122.839 115.700 -0.573 0.000 2.501 312 S HA 0.791 5.261 4.470 -0.000 0.000 0.301 312 S C -1.197 173.079 174.600 -0.540 0.000 1.096 312 S CA -0.596 57.349 58.200 -0.425 0.000 1.063 312 S CB 1.842 64.900 63.200 -0.236 0.000 1.042 312 S HN 0.455 nan 8.310 nan 0.000 0.494 313 L N 2.322 123.253 121.223 -0.488 0.000 2.408 313 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 313 L C -0.542 176.028 176.870 -0.499 0.000 0.986 313 L CA -0.146 54.304 54.840 -0.650 0.000 0.820 313 L CB 2.312 43.938 42.059 -0.721 0.000 1.303 313 L HN 0.811 nan 8.230 nan 0.000 0.411 314 Q N 2.071 121.516 119.800 -0.592 0.000 2.331 314 Q HA 0.436 4.776 4.340 -0.000 0.000 0.267 314 Q C -1.643 174.074 176.000 -0.471 0.000 1.006 314 Q CA -0.537 55.038 55.803 -0.380 0.000 0.818 314 Q CB 2.168 30.748 28.738 -0.263 0.000 1.276 314 Q HN 0.495 nan 8.270 nan 0.000 0.450 315 W N 2.248 123.492 121.300 -0.094 0.000 2.647 315 W HA 0.666 5.326 4.660 -0.000 0.000 0.353 315 W C -0.743 175.791 176.519 0.025 0.000 1.080 315 W CA -0.654 56.687 57.345 -0.007 0.000 1.208 315 W CB 1.085 30.529 29.460 -0.027 0.000 1.396 315 W HN 0.397 nan 8.180 nan 0.000 0.573 316 L N 1.831 123.277 121.223 0.371 0.000 2.493 316 L HA 0.516 4.856 4.340 -0.000 0.000 0.265 316 L C -0.427 176.630 176.870 0.312 0.000 0.954 316 L CA -1.046 53.964 54.840 0.284 0.000 0.844 316 L CB 1.471 43.680 42.059 0.249 0.000 1.302 316 L HN 0.409 nan 8.230 nan 0.000 0.405 317 R N 2.760 123.407 120.500 0.246 0.000 2.641 317 R HA 0.284 4.624 4.340 -0.000 0.000 0.269 317 R C 1.124 177.492 176.300 0.114 0.000 1.074 317 R CA -0.286 55.916 56.100 0.171 0.000 1.133 317 R CB 0.638 31.046 30.300 0.179 0.000 1.029 317 R HN 0.644 nan 8.270 nan 0.000 0.488 318 R N 1.551 122.024 120.500 -0.045 0.000 2.117 318 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 318 R C 0.398 176.764 176.300 0.109 0.000 1.143 318 R CA 1.222 57.292 56.100 -0.048 0.000 0.968 318 R CB 0.097 30.321 30.300 -0.126 0.000 0.863 318 R HN 0.417 nan 8.270 nan 0.000 0.444 319 I N 2.844 123.461 120.570 0.079 0.000 2.329 319 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 319 I C 0.421 176.607 176.117 0.115 0.000 1.109 319 I CA 0.554 61.903 61.300 0.081 0.000 1.297 319 I CB 0.864 38.898 38.000 0.057 0.000 1.433 319 I HN 0.213 nan 8.210 nan 0.000 0.509 320 Q N 4.522 124.387 119.800 0.108 0.000 2.292 320 Q HA -0.016 4.324 4.340 -0.000 0.000 0.247 320 Q C 0.721 176.800 176.000 0.132 0.000 0.911 320 Q CA 0.000 55.878 55.803 0.125 0.000 0.948 320 Q CB -0.147 28.625 28.738 0.057 0.000 1.093 320 Q HN 0.621 nan 8.270 nan 0.000 0.428 321 N N -0.860 117.920 118.700 0.134 0.000 2.187 321 N HA -0.049 4.691 4.740 -0.000 0.000 0.212 321 N C -0.978 174.636 175.510 0.173 0.000 1.152 321 N CA -0.172 52.949 53.050 0.118 0.000 0.872 321 N CB 0.324 38.858 38.487 0.077 0.000 1.025 321 N HN 0.176 nan 8.380 nan 0.000 0.514 322 Y N 1.283 121.609 120.300 0.044 0.000 2.354 322 Y HA 0.567 5.117 4.550 -0.000 0.000 0.330 322 Y C -0.976 174.960 175.900 0.060 0.000 1.011 322 Y CA -0.954 57.170 58.100 0.039 0.000 1.099 322 Y CB 1.513 39.988 38.460 0.024 0.000 1.179 322 Y HN 0.148 nan 8.280 nan 0.000 0.442 323 S N 4.401 119.874 115.700 -0.380 0.000 2.595 323 S HA 0.928 5.398 4.470 -0.000 0.000 0.281 323 S C -2.054 172.344 174.600 -0.336 0.000 1.117 323 S CA -0.689 57.378 58.200 -0.222 0.000 0.873 323 S CB 1.901 65.059 63.200 -0.070 0.000 1.108 323 S HN 0.496 nan 8.310 nan 0.000 0.477 324 V N 2.545 122.389 119.914 -0.116 0.000 2.760 324 V HA 0.550 4.670 4.120 -0.000 0.000 0.309 324 V C -0.603 175.508 176.094 0.028 0.000 1.077 324 V CA -0.654 61.602 62.300 -0.073 0.000 0.910 324 V CB 1.918 33.722 31.823 -0.031 0.000 1.008 324 V HN 1.034 nan 8.190 nan 0.000 0.424 325 M N 3.506 123.105 119.600 -0.001 0.000 2.268 325 M HA 0.546 5.026 4.480 -0.000 0.000 0.344 325 M C -1.282 175.033 176.300 0.025 0.000 1.106 325 M CA -0.304 54.980 55.300 -0.026 0.000 1.010 325 M CB 1.249 33.777 32.600 -0.121 0.000 1.649 325 M HN 0.612 nan 8.290 nan 0.000 0.443 326 D N 4.789 125.196 120.400 0.012 0.000 2.181 326 D HA 0.563 5.203 4.640 -0.000 0.000 0.248 326 D C -1.046 175.219 176.300 -0.059 0.000 1.020 326 D CA -0.019 53.983 54.000 0.004 0.000 0.891 326 D CB 1.756 42.576 40.800 0.034 0.000 1.187 326 D HN 0.595 nan 8.370 nan 0.000 0.443 327 I N 2.065 122.624 120.570 -0.018 0.000 2.439 327 I HA 0.271 4.441 4.170 -0.000 0.000 0.283 327 I C -0.721 175.392 176.117 -0.007 0.000 1.023 327 I CA -0.580 60.703 61.300 -0.029 0.000 1.100 327 I CB 1.430 39.467 38.000 0.062 0.000 1.238 327 I HN 0.156 nan 8.210 nan 0.000 0.445 328 c N 3.836 122.417 118.600 -0.032 0.000 2.382 328 c HA 0.551 5.121 4.570 -0.000 0.000 0.327 328 c C -0.301 173.933 174.090 0.240 0.000 1.250 328 c CA -0.674 55.708 56.329 0.088 0.000 1.707 328 c CB 1.099 43.652 42.510 0.071 0.000 2.272 328 c HN 0.570 nan 8.230 nan 0.000 0.506 329 D N 0.530 121.069 120.400 0.232 0.000 2.248 329 D HA 0.283 4.923 4.640 -0.000 0.000 0.246 329 D C -0.527 175.753 176.300 -0.033 0.000 1.027 329 D CA -0.240 53.860 54.000 0.167 0.000 0.853 329 D CB 0.957 41.791 40.800 0.057 0.000 1.243 329 D HN 0.550 nan 8.370 nan 0.000 0.462 330 Y N 1.365 121.322 120.300 -0.572 0.000 2.610 330 Y HA 0.151 4.701 4.550 -0.000 0.000 0.332 330 Y C -0.042 175.580 175.900 -0.463 0.000 1.201 330 Y CA 0.049 57.504 58.100 -1.074 0.000 1.465 330 Y CB 0.589 38.419 38.460 -1.050 0.000 1.283 330 Y HN 0.177 nan 8.280 nan 0.000 0.563 331 D N 4.644 124.417 120.400 -1.044 0.000 2.472 331 D HA 0.135 4.775 4.640 -0.000 0.000 0.234 331 D C 0.807 176.621 176.300 -0.810 0.000 1.088 331 D CA -0.289 53.310 54.000 -0.669 0.000 0.882 331 D CB 0.866 41.430 40.800 -0.393 0.000 1.037 331 D HN 0.680 nan 8.370 nan 0.000 0.520 332 E N 1.643 121.489 120.200 -0.591 0.000 2.136 332 E HA -0.258 4.092 4.350 -0.000 0.000 0.202 332 E C 1.585 178.045 176.600 -0.232 0.000 1.019 332 E CA 2.182 58.365 56.400 -0.361 0.000 0.819 332 E CB 0.101 29.714 29.700 -0.145 0.000 0.739 332 E HN 0.450 nan 8.360 nan 0.000 0.458 333 S N -1.628 113.959 115.700 -0.189 0.000 2.446 333 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 333 S C 2.100 176.637 174.600 -0.106 0.000 1.016 333 S CA 0.895 59.028 58.200 -0.112 0.000 0.943 333 S CB 0.074 63.224 63.200 -0.084 0.000 0.786 333 S HN 0.177 nan 8.310 nan 0.000 0.508 334 S N 0.817 116.424 115.700 -0.155 0.000 2.460 334 S HA 0.394 4.864 4.470 -0.000 0.000 0.226 334 S C 1.460 176.000 174.600 -0.099 0.000 1.057 334 S CA 0.867 59.000 58.200 -0.111 0.000 0.948 334 S CB -0.691 62.443 63.200 -0.111 0.000 0.822 334 S HN 1.474 nan 8.310 nan 0.000 0.512 335 G N 2.021 110.690 108.800 -0.218 0.000 2.225 335 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.264 335 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.264 335 G C 0.010 174.934 174.900 0.040 0.000 1.060 335 G CA 0.413 45.460 45.100 -0.088 0.000 0.833 335 G HN 0.594 nan 8.290 nan 0.000 0.498 336 R N -2.284 118.158 120.500 -0.096 0.000 3.045 336 R HA 0.693 5.033 4.340 -0.000 0.000 0.245 336 R C -1.125 175.121 176.300 -0.091 0.000 1.333 336 R CA -1.039 55.099 56.100 0.064 0.000 1.036 336 R CB 0.895 31.240 30.300 0.075 0.000 1.340 336 R HN 0.126 nan 8.270 nan 0.000 0.488 337 W N 1.014 122.340 121.300 0.044 0.000 2.361 337 W HA 0.381 5.041 4.660 -0.000 0.000 0.314 337 W C -0.029 176.476 176.519 -0.022 0.000 1.041 337 W CA -0.377 56.979 57.345 0.018 0.000 1.241 337 W CB 0.875 30.337 29.460 0.004 0.000 1.279 337 W HN 0.310 nan 8.180 nan 0.000 0.436 338 N N 3.138 121.896 118.700 0.096 0.000 2.422 338 N HA 0.235 4.975 4.740 -0.000 0.000 0.264 338 N C -1.154 174.398 175.510 0.069 0.000 1.063 338 N CA -0.135 52.945 53.050 0.050 0.000 0.959 338 N CB 0.690 39.171 38.487 -0.011 0.000 1.087 338 N HN 0.390 nan 8.380 nan 0.000 0.483 339 c N 5.767 124.393 118.600 0.043 0.000 2.184 339 c HA 0.313 4.883 4.570 -0.000 0.000 0.328 339 c C 0.783 174.875 174.090 0.003 0.000 1.081 339 c CA -0.927 55.415 56.329 0.022 0.000 1.533 339 c CB -1.285 41.224 42.510 -0.000 0.000 1.905 339 c HN 0.628 nan 8.230 nan 0.000 0.439 340 L N 3.068 124.297 121.223 0.010 0.000 2.562 340 L HA 0.015 4.355 4.340 -0.000 0.000 0.271 340 L C 1.398 178.261 176.870 -0.011 0.000 1.167 340 L CA 0.213 55.052 54.840 -0.001 0.000 0.917 340 L CB 0.755 42.819 42.059 0.009 0.000 1.187 340 L HN 0.589 nan 8.230 nan 0.000 0.482 341 V N 3.618 123.517 119.914 -0.025 0.000 2.759 341 V HA -0.255 3.865 4.120 -0.000 0.000 0.256 341 V C 2.326 178.393 176.094 -0.046 0.000 1.080 341 V CA 1.666 63.944 62.300 -0.037 0.000 1.101 341 V CB -0.667 31.130 31.823 -0.042 0.000 0.698 341 V HN 1.005 nan 8.190 nan 0.000 0.477 342 A N 0.351 123.148 122.820 -0.039 0.000 2.024 342 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 342 A C 2.360 179.902 177.584 -0.070 0.000 1.164 342 A CA 1.725 53.732 52.037 -0.049 0.000 0.643 342 A CB -0.422 18.559 19.000 -0.030 0.000 0.806 342 A HN 0.536 nan 8.150 nan 0.000 0.451 343 R N -0.465 120.015 120.500 -0.034 0.000 2.297 343 R HA 0.104 4.444 4.340 -0.000 0.000 0.197 343 R C 0.400 176.697 176.300 -0.005 0.000 0.943 343 R CA -0.125 55.981 56.100 0.010 0.000 1.038 343 R CB 0.070 30.421 30.300 0.085 0.000 0.957 343 R HN 0.653 nan 8.270 nan 0.000 0.484 344 Q N 0.265 120.029 119.800 -0.060 0.000 2.540 344 Q HA -0.022 4.318 4.340 -0.000 0.000 0.256 344 Q C -0.728 175.146 176.000 -0.211 0.000 1.084 344 Q CA 0.904 56.682 55.803 -0.042 0.000 0.956 344 Q CB 0.450 29.160 28.738 -0.047 0.000 1.303 344 Q HN 0.241 nan 8.270 nan 0.000 0.509 345 H N 0.121 119.184 119.070 -0.012 0.000 3.172 345 H HA 0.347 4.903 4.556 -0.000 0.000 0.322 345 H C -0.802 174.496 175.328 -0.050 0.000 1.003 345 H CA -0.261 55.787 56.048 -0.000 0.000 1.466 345 H CB 0.663 30.426 29.762 0.002 0.000 1.673 345 H HN 0.415 nan 8.280 nan 0.000 0.512 346 I N 2.110 122.688 120.570 0.014 0.000 2.638 346 I HA 0.156 4.326 4.170 -0.000 0.000 0.286 346 I C 0.342 176.417 176.117 -0.070 0.000 1.088 346 I CA 0.281 61.523 61.300 -0.097 0.000 1.397 346 I CB 0.988 38.941 38.000 -0.077 0.000 1.414 346 I HN 0.594 nan 8.210 nan 0.000 0.566 347 E N 7.744 127.835 120.200 -0.182 0.000 2.275 347 E HA 0.614 4.964 4.350 -0.000 0.000 0.270 347 E C -1.224 175.297 176.600 -0.131 0.000 0.882 347 E CA -0.749 55.597 56.400 -0.090 0.000 0.758 347 E CB 1.750 31.422 29.700 -0.045 0.000 1.195 347 E HN 0.636 nan 8.360 nan 0.000 0.419 348 M N 1.618 121.201 119.600 -0.029 0.000 2.721 348 M HA 0.620 5.100 4.480 -0.000 0.000 0.271 348 M C -1.758 174.560 176.300 0.029 0.000 1.259 348 M CA -0.755 54.559 55.300 0.024 0.000 0.835 348 M CB 2.163 34.846 32.600 0.138 0.000 1.689 348 M HN 0.370 nan 8.290 nan 0.000 0.470 349 S N -0.387 115.328 115.700 0.024 0.000 2.541 349 S HA 0.661 5.131 4.470 -0.000 0.000 0.280 349 S C 0.066 174.653 174.600 -0.021 0.000 1.112 349 S CA 0.186 58.375 58.200 -0.018 0.000 0.925 349 S CB 1.945 65.090 63.200 -0.091 0.000 1.067 349 S HN 0.911 nan 8.310 nan 0.000 0.479 350 T N -0.260 114.280 114.554 -0.024 0.000 3.015 350 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 350 T C 1.680 176.355 174.700 -0.042 0.000 1.057 350 T CA 0.909 62.999 62.100 -0.017 0.000 1.066 350 T CB -0.408 68.460 68.868 -0.000 0.000 0.959 350 T HN 0.731 nan 8.240 nan 0.000 0.488 351 T N -1.256 113.258 114.554 -0.066 0.000 3.057 351 T HA 0.572 4.922 4.350 -0.000 0.000 0.254 351 T C 1.139 175.670 174.700 -0.281 0.000 1.094 351 T CA 0.590 62.651 62.100 -0.064 0.000 1.088 351 T CB 0.167 69.067 68.868 0.053 0.000 0.934 351 T HN 0.584 nan 8.240 nan 0.000 0.497 352 G N 0.294 108.734 108.800 -0.601 0.000 2.696 352 G HA2 0.476 4.436 3.960 -0.000 0.000 0.151 352 G HA3 0.476 4.436 3.960 -0.000 0.000 0.151 352 G C -1.717 172.900 174.900 -0.471 0.000 1.197 352 G CA -0.532 44.035 45.100 -0.889 0.000 1.053 352 G HN 0.540 nan 8.290 nan 0.000 0.546 353 W N 0.121 121.146 121.300 -0.458 0.000 2.578 353 W HA 0.773 5.433 4.660 0.000 0.000 0.364 353 W C -0.395 176.061 176.519 -0.104 0.000 1.144 353 W CA -1.397 55.820 57.345 -0.212 0.000 1.242 353 W CB 1.018 30.342 29.460 -0.227 0.000 1.382 353 W HN 0.276 nan 8.180 nan 0.000 0.625 354 V N 3.613 123.589 119.914 0.104 0.000 2.530 354 V HA 0.602 4.722 4.120 -0.000 0.000 0.282 354 V C 0.913 177.075 176.094 0.113 0.000 1.048 354 V CA 0.727 63.053 62.300 0.043 0.000 0.997 354 V CB -0.141 31.709 31.823 0.046 0.000 0.987 354 V HN 1.299 nan 8.190 nan 0.000 0.477 355 G N 5.179 114.000 108.800 0.034 0.000 2.829 355 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.628 355 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.628 355 G C 0.378 175.332 174.900 0.089 0.000 1.412 355 G CA 0.200 45.339 45.100 0.066 0.000 0.864 355 G HN 0.637 nan 8.290 nan 0.000 0.544 356 R N -0.794 119.734 120.500 0.048 0.000 2.062 356 R HA 0.104 4.444 4.340 -0.000 0.000 0.231 356 R C 2.012 178.160 176.300 -0.253 0.000 1.136 356 R CA 2.231 58.267 56.100 -0.107 0.000 0.948 356 R CB -0.116 30.097 30.300 -0.145 0.000 0.845 356 R HN 0.496 nan 8.270 nan 0.000 0.430 357 F N -1.010 119.064 119.950 0.207 0.000 2.819 357 F HA 0.261 4.788 4.527 -0.000 0.000 0.325 357 F C 0.681 176.491 175.800 0.016 0.000 1.041 357 F CA -0.461 57.596 58.000 0.096 0.000 1.184 357 F CB 0.646 39.690 39.000 0.074 0.000 1.019 357 F HN -0.113 nan 8.300 nan 0.000 0.590 358 R N -0.647 119.975 120.500 0.203 0.000 2.733 358 R HA 0.458 4.798 4.340 -0.000 0.000 0.272 358 R C -3.327 173.024 176.300 0.084 0.000 1.029 358 R CA -1.900 54.252 56.100 0.087 0.000 0.888 358 R CB 0.368 30.674 30.300 0.010 0.000 1.251 358 R HN -0.354 nan 8.270 nan 0.000 0.464 359 P HA -0.030 nan 4.420 nan 0.000 0.264 359 P C -0.328 176.984 177.300 0.020 0.000 1.183 359 P CA 0.281 63.391 63.100 0.016 0.000 0.763 359 P CB 0.612 32.295 31.700 -0.028 0.000 0.807 360 S N 1.638 117.359 115.700 0.034 0.000 2.593 360 S HA 0.183 4.653 4.470 -0.000 0.000 0.269 360 S C 0.020 174.622 174.600 0.004 0.000 1.334 360 S CA -0.750 57.484 58.200 0.058 0.000 1.015 360 S CB 0.205 63.462 63.200 0.094 0.000 0.912 360 S HN 0.494 nan 8.310 nan 0.000 0.541 361 E N 0.985 121.196 120.200 0.019 0.000 2.301 361 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 361 E C -2.668 173.861 176.600 -0.118 0.000 1.030 361 E CA -2.251 54.101 56.400 -0.079 0.000 0.852 361 E CB 0.074 29.726 29.700 -0.081 0.000 1.060 361 E HN 0.389 nan 8.360 nan 0.000 0.401 362 P HA 0.126 nan 4.420 nan 0.000 0.282 362 P C -0.991 176.146 177.300 -0.272 0.000 1.249 362 P CA -0.303 62.623 63.100 -0.290 0.000 0.806 362 P CB 0.776 31.985 31.700 -0.818 0.000 0.984 363 H N 2.004 121.086 119.070 0.020 0.000 2.539 363 H HA 0.325 4.881 4.556 -0.000 0.000 0.332 363 H C -0.341 175.092 175.328 0.175 0.000 1.031 363 H CA -0.298 55.849 56.048 0.165 0.000 1.206 363 H CB 0.660 30.547 29.762 0.209 0.000 1.446 363 H HN 0.309 nan 8.280 nan 0.000 0.496 364 F N 1.452 121.596 119.950 0.323 0.000 2.377 364 F HA 0.134 4.661 4.527 -0.000 0.000 0.328 364 F C 1.395 177.385 175.800 0.317 0.000 1.094 364 F CA -0.571 57.620 58.000 0.319 0.000 1.093 364 F CB 1.143 40.264 39.000 0.203 0.000 1.214 364 F HN 0.380 nan 8.300 nan 0.000 0.518 365 T N 0.158 115.006 114.554 0.490 0.000 2.868 365 T HA 0.143 4.493 4.350 -0.000 0.000 0.292 365 T C 1.090 175.978 174.700 0.313 0.000 1.028 365 T CA -0.750 61.572 62.100 0.371 0.000 1.059 365 T CB 0.825 69.889 68.868 0.328 0.000 0.991 365 T HN 0.591 nan 8.240 nan 0.000 0.531 366 L N 1.253 122.617 121.223 0.235 0.000 2.051 366 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 366 L C 2.170 179.144 176.870 0.174 0.000 1.076 366 L CA 2.393 57.346 54.840 0.188 0.000 0.758 366 L CB -0.817 41.331 42.059 0.147 0.000 0.890 366 L HN 0.947 nan 8.230 nan 0.000 0.433 367 D N -1.245 119.259 120.400 0.174 0.000 2.363 367 D HA 0.035 4.675 4.640 -0.000 0.000 0.220 367 D C 1.555 177.956 176.300 0.169 0.000 0.994 367 D CA 0.771 54.862 54.000 0.152 0.000 0.890 367 D CB -0.537 40.343 40.800 0.133 0.000 0.906 367 D HN 0.406 nan 8.370 nan 0.000 0.530 368 G N 0.690 109.629 108.800 0.232 0.000 2.198 368 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 368 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 368 G C 0.735 175.821 174.900 0.310 0.000 1.025 368 G CA 0.362 45.623 45.100 0.267 0.000 0.769 368 G HN 0.416 nan 8.290 nan 0.000 0.507 369 N N -0.352 118.517 118.700 0.281 0.000 2.282 369 N HA 0.133 4.873 4.740 -0.000 0.000 0.185 369 N C 0.868 176.503 175.510 0.208 0.000 1.099 369 N CA 1.046 54.229 53.050 0.222 0.000 0.878 369 N CB 0.576 39.150 38.487 0.145 0.000 0.993 369 N HN 0.804 nan 8.380 nan 0.000 0.481 370 S N -0.019 115.826 115.700 0.243 0.000 2.588 370 S HA 0.761 5.231 4.470 -0.000 0.000 0.275 370 S C -0.914 173.746 174.600 0.099 0.000 1.130 370 S CA -0.916 57.299 58.200 0.026 0.000 0.855 370 S CB 1.868 65.013 63.200 -0.092 0.000 1.116 370 S HN 0.145 nan 8.310 nan 0.000 0.472 371 F N -1.709 118.052 119.950 -0.315 0.000 2.645 371 F HA 0.821 5.348 4.527 -0.000 0.000 0.310 371 F C -2.025 173.590 175.800 -0.307 0.000 1.102 371 F CA -1.555 56.188 58.000 -0.428 0.000 0.952 371 F CB 0.588 38.882 39.000 -1.176 0.000 1.326 371 F HN 0.587 nan 8.300 nan 0.000 0.456 372 Y N 1.214 121.665 120.300 0.252 0.000 2.420 372 Y HA 0.713 5.263 4.550 -0.000 0.000 0.334 372 Y C -0.146 175.939 175.900 0.308 0.000 1.094 372 Y CA -0.834 57.417 58.100 0.252 0.000 1.126 372 Y CB 2.041 40.596 38.460 0.158 0.000 1.217 372 Y HN 0.775 nan 8.280 nan 0.000 0.462 373 K N 2.092 122.752 120.400 0.434 0.000 2.557 373 K HA 0.497 4.817 4.320 -0.000 0.000 0.261 373 K C -1.920 174.855 176.600 0.290 0.000 0.932 373 K CA -0.511 55.975 56.287 0.332 0.000 0.829 373 K CB 1.439 34.081 32.500 0.236 0.000 1.358 373 K HN 0.717 nan 8.250 nan 0.000 0.430 374 I N 6.232 126.933 120.570 0.219 0.000 2.363 374 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 374 I C 0.172 176.395 176.117 0.177 0.000 1.075 374 I CA -0.406 60.998 61.300 0.175 0.000 1.333 374 I CB 0.178 38.252 38.000 0.124 0.000 1.415 374 I HN 0.519 nan 8.210 nan 0.000 0.502 375 I N 3.219 123.935 120.570 0.243 0.000 2.785 375 I HA 0.505 4.675 4.170 -0.000 0.000 0.302 375 I C -0.074 176.170 176.117 0.211 0.000 1.069 375 I CA -0.531 60.904 61.300 0.225 0.000 1.045 375 I CB 2.263 40.424 38.000 0.269 0.000 1.236 375 I HN 0.408 nan 8.210 nan 0.000 0.429 376 S N 4.369 120.129 115.700 0.099 0.000 2.505 376 S HA 0.251 4.721 4.470 -0.000 0.000 0.276 376 S C 0.090 174.728 174.600 0.064 0.000 1.274 376 S CA -0.538 57.661 58.200 -0.002 0.000 1.053 376 S CB -0.353 62.792 63.200 -0.092 0.000 0.919 376 S HN 0.925 nan 8.310 nan 0.000 0.490 377 N N 3.532 122.163 118.700 -0.115 0.000 2.328 377 N HA 0.129 4.869 4.740 -0.000 0.000 0.277 377 N C 0.710 176.192 175.510 -0.046 0.000 1.286 377 N CA -0.590 52.356 53.050 -0.174 0.000 0.949 377 N CB 0.251 38.278 38.487 -0.768 0.000 1.136 377 N HN 0.758 nan 8.380 nan 0.000 0.550 378 E N -0.209 119.980 120.200 -0.019 0.000 2.435 378 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 378 E C 0.556 177.138 176.600 -0.030 0.000 1.029 378 E CA 0.728 57.124 56.400 -0.007 0.000 0.865 378 E CB -0.235 29.475 29.700 0.017 0.000 0.833 378 E HN 0.656 nan 8.360 nan 0.000 0.510 379 E N 0.963 121.142 120.200 -0.035 0.000 2.478 379 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 379 E C 0.941 177.538 176.600 -0.005 0.000 1.045 379 E CA 0.607 57.019 56.400 0.019 0.000 0.868 379 E CB 0.179 29.918 29.700 0.066 0.000 0.885 379 E HN 0.404 nan 8.360 nan 0.000 0.505 380 G N 1.058 109.797 108.800 -0.101 0.000 2.132 380 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 380 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 380 G C -0.494 174.123 174.900 -0.471 0.000 1.000 380 G CA -0.153 44.777 45.100 -0.283 0.000 0.693 380 G HN 0.225 nan 8.290 nan 0.000 0.515 381 Y N -0.336 119.836 120.300 -0.213 0.000 2.377 381 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 381 Y C 1.018 176.767 175.900 -0.252 0.000 1.011 381 Y CA -0.999 56.964 58.100 -0.229 0.000 1.093 381 Y CB 1.277 39.618 38.460 -0.197 0.000 1.201 381 Y HN 0.096 nan 8.280 nan 0.000 0.455 382 R N 3.675 124.050 120.500 -0.208 0.000 2.291 382 R HA 0.222 4.562 4.340 -0.000 0.000 0.333 382 R C -0.792 175.245 176.300 -0.438 0.000 1.082 382 R CA 0.120 56.087 56.100 -0.222 0.000 0.948 382 R CB -0.123 30.084 30.300 -0.154 0.000 1.009 382 R HN 0.637 nan 8.270 nan 0.000 0.460 383 H N 1.913 120.866 119.070 -0.195 0.000 2.894 383 H HA 0.322 4.878 4.556 -0.000 0.000 0.368 383 H C -0.035 175.295 175.328 0.004 0.000 1.181 383 H CA -0.997 54.909 56.048 -0.237 0.000 1.146 383 H CB 1.743 31.203 29.762 -0.504 0.000 1.839 383 H HN 0.302 nan 8.280 nan 0.000 0.557 384 I N 1.472 122.099 120.570 0.094 0.000 2.452 384 I HA -0.003 4.167 4.170 -0.000 0.000 0.287 384 I C 0.490 176.751 176.117 0.240 0.000 1.079 384 I CA 0.250 61.618 61.300 0.115 0.000 1.387 384 I CB 0.225 38.177 38.000 -0.080 0.000 1.404 384 I HN 0.172 nan 8.210 nan 0.000 0.522 385 c N 7.235 125.979 118.600 0.240 0.000 2.397 385 c HA 0.474 5.044 4.570 -0.000 0.000 0.343 385 c C -0.526 173.549 174.090 -0.025 0.000 1.188 385 c CA -0.442 55.871 56.329 -0.026 0.000 1.992 385 c CB 1.094 43.433 42.510 -0.284 0.000 2.358 385 c HN 0.649 nan 8.230 nan 0.000 0.518 386 Y N 3.982 123.999 120.300 -0.472 0.000 2.328 386 Y HA 0.681 5.231 4.550 -0.000 0.000 0.333 386 Y C -1.205 174.240 175.900 -0.759 0.000 0.958 386 Y CA -1.164 56.602 58.100 -0.556 0.000 1.167 386 Y CB 0.348 38.585 38.460 -0.372 0.000 1.151 386 Y HN 0.615 nan 8.280 nan 0.000 0.470 387 F N 4.063 123.227 119.950 -1.310 0.000 2.492 387 F HA 0.524 5.051 4.527 -0.000 0.000 0.327 387 F C -0.261 174.818 175.800 -1.202 0.000 1.079 387 F CA -0.792 56.429 58.000 -1.298 0.000 0.967 387 F CB 1.639 39.477 39.000 -1.936 0.000 1.169 387 F HN 0.295 nan 8.300 nan 0.000 0.472 388 Q N 3.225 122.711 119.800 -0.522 0.000 2.293 388 Q HA 0.344 4.684 4.340 -0.000 0.000 0.261 388 Q C 1.271 177.271 176.000 -0.000 0.000 0.960 388 Q CA -0.428 55.210 55.803 -0.276 0.000 0.882 388 Q CB 1.908 30.526 28.738 -0.200 0.000 1.275 388 Q HN 0.832 nan 8.270 nan 0.000 0.445 389 I N -0.898 119.737 120.570 0.108 0.000 2.181 389 I HA -0.351 3.819 4.170 -0.000 0.000 0.247 389 I C 0.374 176.671 176.117 0.299 0.000 1.081 389 I CA 2.211 63.685 61.300 0.291 0.000 1.340 389 I CB -0.267 37.885 38.000 0.254 0.000 1.036 389 I HN 0.417 nan 8.210 nan 0.000 0.417 390 D N -0.321 120.162 120.400 0.139 0.000 2.423 390 D HA 0.144 4.784 4.640 -0.000 0.000 0.208 390 D C 0.552 176.852 176.300 0.001 0.000 1.068 390 D CA -0.076 53.957 54.000 0.054 0.000 0.860 390 D CB -0.059 40.760 40.800 0.031 0.000 0.992 390 D HN 0.275 nan 8.370 nan 0.000 0.504 391 K N 0.630 121.038 120.400 0.014 0.000 2.322 391 K HA 0.198 4.518 4.320 -0.000 0.000 0.283 391 K C 0.707 177.305 176.600 -0.004 0.000 1.042 391 K CA -0.284 55.987 56.287 -0.027 0.000 0.958 391 K CB 1.310 33.771 32.500 -0.065 0.000 0.984 391 K HN -0.233 nan 8.250 nan 0.000 0.473 392 K N 1.360 121.727 120.400 -0.055 0.000 2.305 392 K HA 0.022 4.342 4.320 -0.000 0.000 0.199 392 K C -0.069 176.527 176.600 -0.006 0.000 1.047 392 K CA 0.997 57.245 56.287 -0.066 0.000 0.976 392 K CB 0.201 32.649 32.500 -0.086 0.000 0.765 392 K HN 0.525 nan 8.250 nan 0.000 0.474 393 D N -1.280 119.073 120.400 -0.078 0.000 2.478 393 D HA 0.261 4.901 4.640 -0.000 0.000 0.263 393 D C -0.351 175.730 176.300 -0.366 0.000 1.153 393 D CA -0.464 53.435 54.000 -0.169 0.000 1.038 393 D CB 1.267 41.966 40.800 -0.169 0.000 1.120 393 D HN 0.267 nan 8.370 nan 0.000 0.564 394 c N -1.975 116.272 118.600 -0.590 0.000 3.154 394 c HA 0.848 5.418 4.570 -0.000 0.000 0.312 394 c C -0.606 173.076 174.090 -0.680 0.000 1.349 394 c CA -0.624 55.149 56.329 -0.926 0.000 1.518 394 c CB 1.278 42.617 42.510 -1.951 0.000 1.934 394 c HN 0.469 nan 8.230 nan 0.000 0.462 395 T N 1.985 116.201 114.554 -0.563 0.000 2.786 395 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 395 T C -0.689 173.832 174.700 -0.299 0.000 0.992 395 T CA 0.094 62.007 62.100 -0.313 0.000 0.954 395 T CB 0.422 69.267 68.868 -0.038 0.000 0.934 395 T HN 0.469 nan 8.240 nan 0.000 0.440 396 F N 3.119 122.986 119.950 -0.139 0.000 2.538 396 F HA 0.230 4.757 4.527 -0.000 0.000 0.371 396 F C 1.585 177.274 175.800 -0.184 0.000 1.087 396 F CA -1.099 56.807 58.000 -0.156 0.000 1.250 396 F CB 0.278 39.175 39.000 -0.171 0.000 1.110 396 F HN 0.584 nan 8.300 nan 0.000 0.570 397 I N -0.497 120.030 120.570 -0.073 0.000 4.018 397 I HA 0.259 4.429 4.170 -0.000 0.000 0.337 397 I C 0.091 176.054 176.117 -0.257 0.000 1.327 397 I CA 0.095 61.148 61.300 -0.412 0.000 1.100 397 I CB 0.065 37.537 38.000 -0.880 0.000 1.025 397 I HN 0.483 nan 8.210 nan 0.000 0.396 398 T N -0.262 114.189 114.554 -0.172 0.000 2.900 398 T HA 0.732 5.082 4.350 -0.000 0.000 0.303 398 T C -0.729 173.577 174.700 -0.657 0.000 1.142 398 T CA -0.707 61.254 62.100 -0.233 0.000 1.007 398 T CB 2.564 71.385 68.868 -0.078 0.000 1.156 398 T HN 0.421 nan 8.240 nan 0.000 0.490 399 K N 0.308 120.231 120.400 -0.795 0.000 2.469 399 K HA 0.988 5.308 4.320 -0.000 0.000 0.268 399 K C -0.119 175.868 176.600 -1.021 0.000 1.027 399 K CA -0.898 54.648 56.287 -1.235 0.000 0.893 399 K CB 1.515 33.625 32.500 -0.651 0.000 1.460 399 K HN 1.376 nan 8.250 nan 0.000 0.449 400 G N -0.706 107.531 108.800 -0.938 0.000 2.369 400 G HA2 0.135 4.095 3.960 -0.000 0.000 0.307 400 G HA3 0.135 4.095 3.960 -0.000 0.000 0.307 400 G C -1.265 173.118 174.900 -0.863 0.000 1.327 400 G CA -0.830 43.870 45.100 -0.668 0.000 0.963 400 G HN 0.463 nan 8.290 nan 0.000 0.590 401 T N 2.510 116.762 114.554 -0.504 0.000 3.540 401 T HA 0.531 4.881 4.350 -0.000 0.000 0.269 401 T C -0.460 174.126 174.700 -0.191 0.000 1.481 401 T CA 0.473 62.164 62.100 -0.681 0.000 1.224 401 T CB -1.086 67.609 68.868 -0.288 0.000 1.192 401 T HN 0.796 nan 8.240 nan 0.000 0.756 402 W N 0.002 121.144 121.300 -0.262 0.000 3.064 402 W HA 0.469 5.129 4.660 -0.000 0.000 0.328 402 W C -1.539 174.956 176.519 -0.040 0.000 1.210 402 W CA -0.941 56.389 57.345 -0.023 0.000 1.178 402 W CB 0.546 29.972 29.460 -0.056 0.000 1.416 402 W HN 0.012 nan 8.180 nan 0.000 0.568 403 E N 1.024 121.348 120.200 0.206 0.000 2.244 403 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 403 E C -0.772 175.881 176.600 0.088 0.000 0.914 403 E CA -1.227 55.116 56.400 -0.096 0.000 0.794 403 E CB 3.240 32.951 29.700 0.018 0.000 1.210 403 E HN 0.192 nan 8.360 nan 0.000 0.414 404 V N 3.896 123.742 119.914 -0.114 0.000 2.488 404 V HA -0.019 4.101 4.120 -0.000 0.000 0.277 404 V C 1.273 177.447 176.094 0.133 0.000 1.046 404 V CA -0.080 62.279 62.300 0.099 0.000 0.986 404 V CB 0.514 32.311 31.823 -0.044 0.000 0.989 404 V HN 0.692 nan 8.190 nan 0.000 0.475 405 I N 3.205 123.883 120.570 0.179 0.000 2.333 405 I HA 0.204 4.374 4.170 -0.000 0.000 0.246 405 I C 1.156 177.383 176.117 0.183 0.000 1.106 405 I CA 1.226 62.623 61.300 0.163 0.000 1.411 405 I CB -0.916 37.119 38.000 0.058 0.000 1.082 405 I HN 0.789 nan 8.210 nan 0.000 0.420 406 G N 0.250 109.163 108.800 0.189 0.000 2.616 406 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 406 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 406 G C -1.269 173.739 174.900 0.180 0.000 1.489 406 G CA -0.624 44.590 45.100 0.190 0.000 0.836 406 G HN -0.043 nan 8.290 nan 0.000 0.527 407 I N 1.612 122.248 120.570 0.111 0.000 2.371 407 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 407 I C 0.820 176.872 176.117 -0.107 0.000 1.028 407 I CA -0.478 60.784 61.300 -0.064 0.000 1.345 407 I CB 1.613 39.394 38.000 -0.364 0.000 1.407 407 I HN 0.498 nan 8.210 nan 0.000 0.501 408 E N 4.844 125.028 120.200 -0.027 0.000 2.244 408 E HA 0.324 4.674 4.350 -0.000 0.000 0.196 408 E C 0.168 176.683 176.600 -0.142 0.000 0.939 408 E CA 0.297 56.713 56.400 0.025 0.000 0.884 408 E CB 0.637 30.439 29.700 0.170 0.000 0.850 408 E HN 0.670 nan 8.360 nan 0.000 0.481 409 A N 0.682 123.329 122.820 -0.288 0.000 2.594 409 A HA 0.620 4.940 4.320 -0.000 0.000 0.295 409 A C -1.683 175.811 177.584 -0.149 0.000 1.071 409 A CA -0.573 51.226 52.037 -0.396 0.000 0.685 409 A CB 1.520 19.793 19.000 -1.211 0.000 1.285 409 A HN 0.079 nan 8.150 nan 0.000 0.405 410 L N 2.964 124.148 121.223 -0.066 0.000 2.457 410 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 410 L C 0.272 177.177 176.870 0.058 0.000 0.979 410 L CA -0.031 54.815 54.840 0.010 0.000 0.857 410 L CB 1.400 43.505 42.059 0.077 0.000 1.213 410 L HN 1.153 nan 8.230 nan 0.000 0.418 411 T N -0.187 114.419 114.554 0.086 0.000 2.892 411 T HA 0.226 4.576 4.350 -0.000 0.000 0.280 411 T C 1.392 176.142 174.700 0.083 0.000 1.004 411 T CA 0.162 62.324 62.100 0.104 0.000 0.950 411 T CB 1.288 70.256 68.868 0.166 0.000 1.309 411 T HN 0.582 nan 8.240 nan 0.000 0.592 412 S N -0.054 115.693 115.700 0.078 0.000 2.447 412 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 412 S C 0.771 175.373 174.600 0.003 0.000 1.006 412 S CA 1.343 59.578 58.200 0.057 0.000 0.957 412 S CB -0.746 62.487 63.200 0.056 0.000 0.773 412 S HN 0.925 nan 8.310 nan 0.000 0.507 413 D N -2.206 118.165 120.400 -0.048 0.000 2.497 413 D HA 0.226 4.866 4.640 -0.000 0.000 0.256 413 D C -0.523 175.497 176.300 -0.466 0.000 1.273 413 D CA -0.436 53.432 54.000 -0.220 0.000 0.812 413 D CB -0.404 40.241 40.800 -0.257 0.000 1.190 413 D HN 0.494 nan 8.370 nan 0.000 0.524 414 Y N 0.277 120.515 120.300 -0.103 0.000 2.477 414 Y HA 0.541 5.091 4.550 -0.000 0.000 0.347 414 Y C -0.982 174.728 175.900 -0.316 0.000 0.981 414 Y CA -1.306 56.642 58.100 -0.253 0.000 1.033 414 Y CB 2.695 40.940 38.460 -0.359 0.000 1.245 414 Y HN -0.075 nan 8.280 nan 0.000 0.455 415 L N 3.962 125.052 121.223 -0.221 0.000 2.356 415 L HA 0.584 4.924 4.340 -0.000 0.000 0.277 415 L C -1.810 174.903 176.870 -0.262 0.000 0.996 415 L CA -0.555 54.128 54.840 -0.263 0.000 0.822 415 L CB 0.823 42.638 42.059 -0.408 0.000 1.256 415 L HN 0.592 nan 8.230 nan 0.000 0.413 416 Y N 4.717 124.944 120.300 -0.122 0.000 2.342 416 Y HA 0.573 5.123 4.550 -0.000 0.000 0.334 416 Y C -0.429 175.479 175.900 0.014 0.000 1.067 416 Y CA -0.299 57.736 58.100 -0.108 0.000 1.128 416 Y CB 1.408 39.696 38.460 -0.286 0.000 1.200 416 Y HN 0.546 nan 8.280 nan 0.000 0.464 417 Y N 0.375 120.726 120.300 0.084 0.000 2.638 417 Y HA 0.758 5.308 4.550 -0.000 0.000 0.335 417 Y C -1.864 174.102 175.900 0.110 0.000 1.155 417 Y CA -1.767 56.371 58.100 0.063 0.000 1.046 417 Y CB 1.096 39.569 38.460 0.021 0.000 1.303 417 Y HN 0.284 nan 8.280 nan 0.000 0.460 418 I N 3.188 123.866 120.570 0.181 0.000 2.412 418 I HA 0.586 4.756 4.170 -0.000 0.000 0.296 418 I C -0.160 176.078 176.117 0.201 0.000 0.987 418 I CA -0.366 60.992 61.300 0.096 0.000 1.180 418 I CB 1.529 39.571 38.000 0.070 0.000 1.340 418 I HN 0.866 nan 8.210 nan 0.000 0.455 419 S N 3.913 119.681 115.700 0.114 0.000 2.618 419 S HA 0.444 4.914 4.470 -0.000 0.000 0.277 419 S C -0.313 174.286 174.600 -0.001 0.000 1.138 419 S CA -0.828 57.440 58.200 0.113 0.000 0.844 419 S CB 2.018 65.291 63.200 0.122 0.000 1.127 419 S HN 0.617 nan 8.310 nan 0.000 0.474 420 N N 0.014 118.728 118.700 0.023 0.000 2.451 420 N HA 0.136 4.876 4.740 -0.000 0.000 0.264 420 N C 0.441 175.906 175.510 -0.074 0.000 1.167 420 N CA -0.345 52.685 53.050 -0.034 0.000 0.898 420 N CB 0.324 38.790 38.487 -0.036 0.000 1.176 420 N HN 0.846 nan 8.380 nan 0.000 0.507 421 E N -0.093 119.909 120.200 -0.329 0.000 2.033 421 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 421 E C -0.295 176.135 176.600 -0.284 0.000 0.979 421 E CA 0.040 56.005 56.400 -0.726 0.000 0.802 421 E CB -0.106 28.518 29.700 -1.793 0.000 0.763 421 E HN 0.351 nan 8.360 nan 0.000 0.449 422 Y N 1.810 121.999 120.300 -0.185 0.000 2.904 422 Y HA -0.165 4.385 4.550 -0.000 0.000 0.336 422 Y C 0.612 176.475 175.900 -0.062 0.000 1.263 422 Y CA 0.920 58.981 58.100 -0.065 0.000 1.547 422 Y CB 0.279 38.736 38.460 -0.005 0.000 1.272 422 Y HN 0.148 nan 8.280 nan 0.000 0.596 423 K N 3.099 123.160 120.400 -0.565 0.000 3.445 423 K HA -0.242 4.078 4.320 -0.000 0.000 0.316 423 K C 0.815 177.336 176.600 -0.131 0.000 1.278 423 K CA 1.566 57.608 56.287 -0.408 0.000 0.976 423 K CB -1.656 30.574 32.500 -0.449 0.000 1.238 423 K HN 1.477 nan 8.250 nan 0.000 0.430 424 G N 0.115 108.856 108.800 -0.098 0.000 2.179 424 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 424 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 424 G C -0.006 174.905 174.900 0.019 0.000 1.010 424 G CA 0.792 45.888 45.100 -0.007 0.000 0.736 424 G HN 0.473 nan 8.290 nan 0.000 0.513 425 M N -1.807 117.732 119.600 -0.101 0.000 2.101 425 M HA 0.556 5.036 4.480 -0.000 0.000 0.340 425 M C -1.820 174.237 176.300 -0.405 0.000 1.057 425 M CA -2.334 52.738 55.300 -0.379 0.000 0.984 425 M CB 1.933 34.298 32.600 -0.391 0.000 1.560 425 M HN -0.145 nan 8.290 nan 0.000 0.435 426 P HA -0.020 nan 4.420 nan 0.000 0.219 426 P C 1.454 178.582 177.300 -0.288 0.000 1.150 426 P CA 1.319 64.236 63.100 -0.305 0.000 0.814 426 P CB 0.073 31.598 31.700 -0.292 0.000 0.787 427 G N -0.836 107.721 108.800 -0.405 0.000 2.848 427 G HA2 0.152 4.112 3.960 -0.000 0.000 0.208 427 G HA3 0.152 4.112 3.960 -0.000 0.000 0.208 427 G C 0.773 175.632 174.900 -0.070 0.000 1.152 427 G CA 0.244 45.236 45.100 -0.181 0.000 0.789 427 G HN 0.399 nan 8.290 nan 0.000 0.531 428 G N -0.732 107.972 108.800 -0.160 0.000 2.511 428 G HA2 0.617 4.577 3.960 -0.000 0.000 0.316 428 G HA3 0.617 4.577 3.960 -0.000 0.000 0.316 428 G C -0.842 173.899 174.900 -0.265 0.000 1.210 428 G CA -0.963 44.071 45.100 -0.111 0.000 0.969 428 G HN 0.256 nan 8.290 nan 0.000 0.492 429 R N 0.055 120.401 120.500 -0.257 0.000 2.603 429 R HA 0.309 4.649 4.340 -0.000 0.000 0.280 429 R C -1.593 174.656 176.300 -0.085 0.000 1.185 429 R CA -0.500 55.387 56.100 -0.354 0.000 1.039 429 R CB 0.742 30.436 30.300 -1.011 0.000 1.247 429 R HN 0.567 nan 8.270 nan 0.000 0.413 430 N N 2.952 121.645 118.700 -0.010 0.000 2.277 430 N HA 0.362 5.101 4.740 -0.000 0.000 0.286 430 N C -1.693 173.767 175.510 -0.083 0.000 1.140 430 N CA -0.737 52.296 53.050 -0.029 0.000 0.799 430 N CB 2.367 40.809 38.487 -0.075 0.000 1.596 430 N HN 0.394 nan 8.380 nan 0.000 0.473 431 L N 2.653 123.694 121.223 -0.304 0.000 2.281 431 L HA 0.418 4.757 4.340 -0.000 0.000 0.285 431 L C -1.277 175.304 176.870 -0.480 0.000 1.074 431 L CA 0.114 54.769 54.840 -0.308 0.000 0.817 431 L CB -0.278 41.577 42.059 -0.340 0.000 1.168 431 L HN 0.397 nan 8.230 nan 0.000 0.434 432 Y N 3.960 123.904 120.300 -0.594 0.000 2.549 432 Y HA 0.609 5.159 4.550 -0.000 0.000 0.339 432 Y C -0.242 175.340 175.900 -0.530 0.000 1.053 432 Y CA -0.723 56.989 58.100 -0.646 0.000 1.105 432 Y CB 1.644 39.511 38.460 -0.988 0.000 1.258 432 Y HN 0.554 nan 8.280 nan 0.000 0.478 433 K N 2.303 122.572 120.400 -0.219 0.000 2.422 433 K HA 0.742 5.062 4.320 -0.000 0.000 0.251 433 K C -1.961 174.618 176.600 -0.035 0.000 0.933 433 K CA -0.729 55.383 56.287 -0.292 0.000 0.798 433 K CB 2.558 34.666 32.500 -0.653 0.000 1.238 433 K HN 0.773 nan 8.250 nan 0.000 0.428 434 I N 1.874 122.472 120.570 0.048 0.000 2.509 434 I HA 0.201 4.371 4.170 -0.000 0.000 0.293 434 I C -0.871 175.324 176.117 0.130 0.000 1.020 434 I CA -0.806 60.577 61.300 0.137 0.000 1.088 434 I CB 2.150 40.223 38.000 0.123 0.000 1.267 434 I HN 0.866 nan 8.210 nan 0.000 0.430 435 Q N 5.142 125.005 119.800 0.104 0.000 2.296 435 Q HA 0.120 4.460 4.340 -0.000 0.000 0.263 435 Q C 0.178 176.117 176.000 -0.102 0.000 1.026 435 Q CA -0.483 55.215 55.803 -0.175 0.000 0.912 435 Q CB 1.212 29.888 28.738 -0.103 0.000 1.198 435 Q HN 0.758 nan 8.270 nan 0.000 0.407 436 L N 2.875 123.968 121.223 -0.217 0.000 2.083 436 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 436 L C 2.178 179.003 176.870 -0.075 0.000 1.083 436 L CA 1.963 56.769 54.840 -0.056 0.000 0.752 436 L CB -0.836 41.154 42.059 -0.114 0.000 0.899 436 L HN 0.772 nan 8.230 nan 0.000 0.433 437 S N -2.345 113.251 115.700 -0.174 0.000 2.561 437 S HA 0.000 4.470 4.470 -0.000 0.000 0.225 437 S C 0.450 174.917 174.600 -0.221 0.000 0.977 437 S CA 0.235 58.320 58.200 -0.191 0.000 0.926 437 S CB -0.057 63.047 63.200 -0.160 0.000 0.769 437 S HN 0.409 nan 8.310 nan 0.000 0.533 438 D N -0.346 119.944 120.400 -0.182 0.000 2.354 438 D HA 0.220 4.860 4.640 -0.000 0.000 0.230 438 D C -0.524 175.788 176.300 0.021 0.000 1.361 438 D CA -0.571 53.343 54.000 -0.144 0.000 0.992 438 D CB 0.236 40.987 40.800 -0.081 0.000 1.409 438 D HN -0.069 nan 8.370 nan 0.000 0.573 439 Y N 1.073 121.348 120.300 -0.042 0.000 2.574 439 Y HA -0.055 4.495 4.550 -0.000 0.000 0.294 439 Y C 2.417 178.320 175.900 0.006 0.000 1.142 439 Y CA 1.322 59.408 58.100 -0.024 0.000 1.314 439 Y CB -0.810 37.636 38.460 -0.024 0.000 0.991 439 Y HN 0.410 nan 8.280 nan 0.000 0.555 440 T N -3.121 111.517 114.554 0.139 0.000 3.067 440 T HA 0.010 4.360 4.350 -0.000 0.000 0.257 440 T C 0.813 175.570 174.700 0.095 0.000 1.105 440 T CA 0.102 62.261 62.100 0.100 0.000 1.104 440 T CB 0.003 68.905 68.868 0.058 0.000 0.925 440 T HN -0.060 nan 8.240 nan 0.000 0.498 441 K N 2.912 123.369 120.400 0.095 0.000 2.142 441 K HA 0.387 4.707 4.320 -0.000 0.000 0.250 441 K C -0.936 175.739 176.600 0.124 0.000 1.148 441 K CA -0.108 56.235 56.287 0.093 0.000 1.040 441 K CB 0.561 33.109 32.500 0.079 0.000 1.569 441 K HN 0.220 nan 8.250 nan 0.000 0.361 442 V N 2.479 122.467 119.914 0.123 0.000 2.334 442 V HA 0.184 4.304 4.120 -0.000 0.000 0.281 442 V C 0.210 176.365 176.094 0.103 0.000 1.016 442 V CA -0.718 61.673 62.300 0.151 0.000 0.832 442 V CB 1.413 33.362 31.823 0.209 0.000 0.999 442 V HN 0.459 nan 8.190 nan 0.000 0.439 443 T N 3.478 118.053 114.554 0.034 0.000 2.829 443 T HA 0.244 4.594 4.350 -0.000 0.000 0.282 443 T C -0.160 174.418 174.700 -0.203 0.000 0.990 443 T CA -0.272 61.785 62.100 -0.070 0.000 1.028 443 T CB 1.316 70.120 68.868 -0.107 0.000 0.951 443 T HN 0.756 nan 8.240 nan 0.000 0.460 444 C N 5.223 124.315 119.300 -0.347 0.000 2.281 444 C HA 0.399 4.859 4.460 -0.000 0.000 0.336 444 C C 1.366 176.003 174.990 -0.588 0.000 1.217 444 C CA -0.686 57.867 59.018 -0.775 0.000 1.730 444 C CB -1.968 25.213 27.740 -0.933 0.000 2.338 444 C HN 0.866 nan 8.230 nan 0.000 0.521 445 L N 4.909 125.784 121.223 -0.579 0.000 2.554 445 L HA 0.093 4.433 4.340 -0.000 0.000 0.226 445 L C 2.179 178.750 176.870 -0.499 0.000 1.137 445 L CA 1.552 56.135 54.840 -0.428 0.000 0.863 445 L CB -0.166 41.679 42.059 -0.356 0.000 0.985 445 L HN 0.920 nan 8.230 nan 0.000 0.451 446 S N -5.141 110.167 115.700 -0.653 0.000 2.648 446 S HA -0.007 4.463 4.470 -0.000 0.000 0.270 446 S C 1.836 176.070 174.600 -0.610 0.000 1.080 446 S CA 0.157 57.885 58.200 -0.786 0.000 1.159 446 S CB -0.626 61.740 63.200 -1.389 0.000 1.091 446 S HN 0.235 nan 8.310 nan 0.000 0.605 447 C N 2.760 121.662 119.300 -0.663 0.000 2.398 447 C HA -0.026 4.434 4.460 -0.000 0.000 0.276 447 C C 2.659 177.350 174.990 -0.498 0.000 1.222 447 C CA 1.296 59.825 59.018 -0.815 0.000 1.746 447 C CB -0.948 25.982 27.740 -1.350 0.000 2.039 447 C HN 0.582 nan 8.230 nan 0.000 0.470 448 E N 0.577 120.560 120.200 -0.362 0.000 2.371 448 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 448 E C 2.107 178.651 176.600 -0.094 0.000 1.012 448 E CA 0.281 56.577 56.400 -0.175 0.000 0.860 448 E CB -0.442 29.173 29.700 -0.140 0.000 0.811 448 E HN 0.649 nan 8.360 nan 0.000 0.502 449 L N 0.504 121.665 121.223 -0.104 0.000 2.263 449 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 449 L C 0.784 177.667 176.870 0.023 0.000 1.111 449 L CA 0.979 55.803 54.840 -0.028 0.000 0.773 449 L CB -0.262 41.789 42.059 -0.013 0.000 0.906 449 L HN 0.115 nan 8.230 nan 0.000 0.439 450 N N -2.020 116.702 118.700 0.037 0.000 3.804 450 N HA 0.031 4.771 4.740 -0.000 0.000 0.127 450 N C -2.280 173.261 175.510 0.051 0.000 1.217 450 N CA -0.509 52.565 53.050 0.040 0.000 1.795 450 N CB 0.239 38.751 38.487 0.042 0.000 1.663 450 N HN -0.226 nan 8.380 nan 0.000 0.723 451 P HA -0.010 nan 4.420 nan 0.000 0.220 451 P C 1.000 178.348 177.300 0.079 0.000 1.148 451 P CA 0.986 64.144 63.100 0.098 0.000 0.803 451 P CB 0.546 32.324 31.700 0.131 0.000 0.782 452 E N -0.760 119.468 120.200 0.046 0.000 2.107 452 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 452 E C 2.161 178.766 176.600 0.008 0.000 0.982 452 E CA 0.726 57.143 56.400 0.028 0.000 0.809 452 E CB -0.071 29.638 29.700 0.015 0.000 0.756 452 E HN 0.133 nan 8.360 nan 0.000 0.459 453 R N -0.662 119.833 120.500 -0.009 0.000 2.254 453 R HA 0.121 4.461 4.340 -0.000 0.000 0.193 453 R C -0.299 175.954 176.300 -0.077 0.000 0.929 453 R CA 0.248 56.319 56.100 -0.048 0.000 1.038 453 R CB 0.649 30.913 30.300 -0.061 0.000 1.009 453 R HN 0.043 nan 8.270 nan 0.000 0.512 454 c N 0.897 119.460 118.600 -0.062 0.000 2.383 454 c HA 0.402 4.972 4.570 -0.000 0.000 0.330 454 c C 0.004 174.052 174.090 -0.069 0.000 1.168 454 c CA -0.659 55.567 56.329 -0.171 0.000 1.374 454 c CB 1.405 43.801 42.510 -0.191 0.000 2.014 454 c HN 0.495 nan 8.230 nan 0.000 0.439 455 Q N 0.474 120.228 119.800 -0.077 0.000 2.081 455 Q HA 0.191 4.531 4.340 -0.000 0.000 0.220 455 Q C -0.886 175.145 176.000 0.052 0.000 0.775 455 Q CA 0.021 55.861 55.803 0.062 0.000 0.983 455 Q CB 1.343 30.147 28.738 0.110 0.000 1.188 455 Q HN 0.763 nan 8.270 nan 0.000 0.458 456 Y N 0.615 120.783 120.300 -0.221 0.000 2.402 456 Y HA 0.399 4.949 4.550 -0.000 0.000 0.325 456 Y C -1.538 174.199 175.900 -0.273 0.000 1.009 456 Y CA -1.150 56.853 58.100 -0.162 0.000 1.278 456 Y CB 0.685 39.067 38.460 -0.130 0.000 1.105 456 Y HN -0.067 nan 8.280 nan 0.000 0.476 457 Y N 2.122 122.392 120.300 -0.051 0.000 2.487 457 Y HA 0.662 5.212 4.550 -0.000 0.000 0.337 457 Y C 0.228 176.109 175.900 -0.032 0.000 1.076 457 Y CA -0.583 57.493 58.100 -0.041 0.000 1.115 457 Y CB 2.189 40.587 38.460 -0.104 0.000 1.235 457 Y HN 0.513 nan 8.280 nan 0.000 0.468 458 S N 0.680 116.488 115.700 0.181 0.000 2.667 458 S HA 0.859 5.329 4.470 -0.000 0.000 0.292 458 S C -1.508 173.165 174.600 0.121 0.000 1.126 458 S CA -0.871 57.411 58.200 0.136 0.000 0.881 458 S CB 1.953 65.240 63.200 0.145 0.000 1.132 458 S HN 0.540 nan 8.310 nan 0.000 0.492 459 V N 0.478 120.459 119.914 0.111 0.000 2.925 459 V HA 0.831 4.951 4.120 -0.000 0.000 0.311 459 V C -1.144 175.029 176.094 0.131 0.000 1.104 459 V CA -0.321 62.014 62.300 0.059 0.000 0.954 459 V CB 2.300 34.080 31.823 -0.072 0.000 1.022 459 V HN 1.140 nan 8.190 nan 0.000 0.427 460 S N 5.611 121.385 115.700 0.124 0.000 2.733 460 S HA 0.655 5.125 4.470 -0.000 0.000 0.307 460 S C -1.002 173.768 174.600 0.284 0.000 1.127 460 S CA -0.403 57.969 58.200 0.288 0.000 1.097 460 S CB 0.300 63.719 63.200 0.364 0.000 1.003 460 S HN 0.481 nan 8.310 nan 0.000 0.477 461 F N 2.964 122.970 119.950 0.093 0.000 2.380 461 F HA 0.438 4.965 4.527 -0.000 0.000 0.325 461 F C 1.459 176.783 175.800 -0.794 0.000 1.136 461 F CA -0.133 57.747 58.000 -0.199 0.000 1.171 461 F CB 1.162 40.030 39.000 -0.219 0.000 1.230 461 F HN 0.645 nan 8.300 nan 0.000 0.554 462 S N 1.438 116.522 115.700 -1.027 0.000 2.634 462 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 462 S C 1.127 175.454 174.600 -0.454 0.000 1.271 462 S CA -0.762 56.595 58.200 -1.404 0.000 0.985 462 S CB 0.911 63.359 63.200 -1.253 0.000 0.968 462 S HN 0.580 nan 8.310 nan 0.000 0.568 463 K N 0.639 120.894 120.400 -0.242 0.000 2.218 463 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 463 K C 0.750 177.318 176.600 -0.052 0.000 1.046 463 K CA 1.419 57.670 56.287 -0.060 0.000 0.933 463 K CB -0.205 32.305 32.500 0.017 0.000 0.728 463 K HN 0.705 nan 8.250 nan 0.000 0.454 464 E N -1.314 118.830 120.200 -0.093 0.000 2.660 464 E HA 0.174 4.524 4.350 -0.000 0.000 0.216 464 E C -0.165 176.396 176.600 -0.064 0.000 0.986 464 E CA 0.120 56.489 56.400 -0.052 0.000 1.037 464 E CB 0.949 30.629 29.700 -0.034 0.000 1.041 464 E HN 0.172 nan 8.360 nan 0.000 0.480 465 A N 1.828 124.596 122.820 -0.088 0.000 2.930 465 A HA -0.277 4.043 4.320 -0.000 0.000 0.273 465 A C 1.302 178.868 177.584 -0.031 0.000 1.435 465 A CA 1.428 53.460 52.037 -0.008 0.000 0.780 465 A CB -2.148 16.760 19.000 -0.153 0.000 1.034 465 A HN 0.221 nan 8.150 nan 0.000 0.562 466 K N -1.793 118.523 120.400 -0.141 0.000 2.167 466 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 466 K C 0.073 176.330 176.600 -0.572 0.000 1.052 466 K CA 1.393 57.478 56.287 -0.336 0.000 0.956 466 K CB 0.048 32.319 32.500 -0.382 0.000 0.735 466 K HN 0.709 nan 8.250 nan 0.000 0.451 467 Y N -1.149 119.086 120.300 -0.109 0.000 2.609 467 Y HA 0.318 4.868 4.550 -0.000 0.000 0.342 467 Y C -0.922 174.893 175.900 -0.142 0.000 1.058 467 Y CA -1.398 56.634 58.100 -0.113 0.000 1.055 467 Y CB 1.655 40.085 38.460 -0.050 0.000 1.292 467 Y HN -0.055 nan 8.280 nan 0.000 0.476 468 Y N -1.198 119.075 120.300 -0.046 0.000 2.552 468 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 468 Y C -1.375 174.525 175.900 0.000 0.000 1.094 468 Y CA -1.453 56.458 58.100 -0.315 0.000 1.028 468 Y CB 1.574 39.296 38.460 -1.230 0.000 1.321 468 Y HN 0.581 nan 8.280 nan 0.000 0.456 469 Q N 3.776 123.690 119.800 0.189 0.000 2.325 469 Q HA 0.532 4.872 4.340 -0.000 0.000 0.262 469 Q C -1.733 174.342 176.000 0.125 0.000 0.968 469 Q CA -0.669 55.223 55.803 0.148 0.000 0.877 469 Q CB 1.283 30.089 28.738 0.114 0.000 1.253 469 Q HN 0.955 nan 8.270 nan 0.000 0.448 470 L N 3.807 125.112 121.223 0.137 0.000 2.312 470 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 470 L C -0.258 176.674 176.870 0.104 0.000 1.070 470 L CA -0.534 54.383 54.840 0.128 0.000 0.805 470 L CB 1.059 43.187 42.059 0.115 0.000 1.174 470 L HN 0.529 nan 8.230 nan 0.000 0.434 471 R N 2.036 122.572 120.500 0.061 0.000 2.275 471 R HA 0.289 4.629 4.340 -0.000 0.000 0.326 471 R C -0.912 175.269 176.300 -0.198 0.000 0.973 471 R CA -0.253 55.720 56.100 -0.213 0.000 0.854 471 R CB 1.271 31.468 30.300 -0.172 0.000 1.156 471 R HN 0.598 nan 8.270 nan 0.000 0.487 472 c N 2.746 121.125 118.600 -0.369 0.000 2.347 472 c HA 0.509 5.079 4.570 -0.000 0.000 0.353 472 c C 1.061 174.918 174.090 -0.389 0.000 1.273 472 c CA -0.217 55.773 56.329 -0.565 0.000 1.861 472 c CB -0.026 42.121 42.510 -0.605 0.000 2.420 472 c HN 0.971 nan 8.230 nan 0.000 0.542 473 S N 3.508 119.050 115.700 -0.263 0.000 2.819 473 S HA 0.611 5.081 4.470 -0.000 0.000 0.249 473 S C 0.233 174.768 174.600 -0.107 0.000 1.030 473 S CA 0.195 58.299 58.200 -0.161 0.000 1.052 473 S CB 0.123 63.252 63.200 -0.118 0.000 1.017 473 S HN 1.851 nan 8.310 nan 0.000 0.576 474 G N 1.813 110.544 108.800 -0.116 0.000 2.340 474 G HA2 0.442 4.402 3.960 -0.000 0.000 0.298 474 G HA3 0.442 4.402 3.960 -0.000 0.000 0.298 474 G C -3.196 171.676 174.900 -0.047 0.000 1.498 474 G CA -0.714 44.361 45.100 -0.041 0.000 0.847 474 G HN -0.123 nan 8.290 nan 0.000 0.594 475 P HA 0.172 nan 4.420 nan 0.000 0.245 475 P C 1.263 178.580 177.300 0.028 0.000 1.206 475 P CA 0.963 64.087 63.100 0.040 0.000 0.781 475 P CB 0.528 32.252 31.700 0.039 0.000 0.994 476 G N 0.448 109.197 108.800 -0.084 0.000 2.535 476 G HA2 0.384 4.344 3.960 -0.000 0.000 0.282 476 G HA3 0.384 4.344 3.960 -0.000 0.000 0.282 476 G C -0.257 174.396 174.900 -0.412 0.000 1.350 476 G CA -0.715 44.263 45.100 -0.204 0.000 1.039 476 G HN 0.039 nan 8.290 nan 0.000 0.509 477 L N 1.105 122.000 121.223 -0.546 0.000 2.456 477 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 477 L C -1.849 174.849 176.870 -0.287 0.000 1.189 477 L CA -1.327 53.156 54.840 -0.596 0.000 0.846 477 L CB 0.607 42.398 42.059 -0.447 0.000 1.111 477 L HN 0.246 nan 8.230 nan 0.000 0.475 478 P HA 0.041 nan 4.420 nan 0.000 0.266 478 P C -0.897 176.338 177.300 -0.108 0.000 1.193 478 P CA -0.018 62.992 63.100 -0.149 0.000 0.770 478 P CB 0.557 32.246 31.700 -0.018 0.000 0.836 479 L N 4.440 125.521 121.223 -0.237 0.000 2.491 479 L HA 0.433 4.773 4.340 -0.000 0.000 0.267 479 L C -1.774 174.992 176.870 -0.173 0.000 0.971 479 L CA -0.591 54.188 54.840 -0.101 0.000 0.857 479 L CB 0.702 42.706 42.059 -0.091 0.000 1.226 479 L HN 0.189 nan 8.230 nan 0.000 0.408 480 Y N 2.651 122.912 120.300 -0.065 0.000 2.330 480 Y HA 0.781 5.331 4.550 -0.000 0.000 0.336 480 Y C 0.754 176.561 175.900 -0.155 0.000 1.036 480 Y CA -0.498 57.548 58.100 -0.089 0.000 1.125 480 Y CB 1.928 40.310 38.460 -0.130 0.000 1.194 480 Y HN 0.666 nan 8.280 nan 0.000 0.469 481 T N 1.206 115.776 114.554 0.027 0.000 2.883 481 T HA 0.660 5.010 4.350 -0.000 0.000 0.296 481 T C -1.465 173.187 174.700 -0.080 0.000 1.117 481 T CA -0.938 61.119 62.100 -0.071 0.000 1.006 481 T CB 1.792 70.649 68.868 -0.018 0.000 1.191 481 T HN 0.490 nan 8.240 nan 0.000 0.508 482 L N 1.254 122.332 121.223 -0.243 0.000 2.330 482 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 482 L C -1.182 175.413 176.870 -0.457 0.000 1.013 482 L CA -0.548 54.181 54.840 -0.184 0.000 0.816 482 L CB 1.720 43.699 42.059 -0.133 0.000 1.287 482 L HN 0.976 nan 8.230 nan 0.000 0.435 483 H N -0.082 118.783 119.070 -0.341 0.000 2.996 483 H HA 0.360 4.916 4.556 -0.000 0.000 0.368 483 H C -0.500 174.594 175.328 -0.389 0.000 1.185 483 H CA -0.632 55.111 56.048 -0.509 0.000 1.160 483 H CB 1.936 31.026 29.762 -1.120 0.000 1.820 483 H HN 0.481 nan 8.280 nan 0.000 0.547 484 S N 0.450 116.091 115.700 -0.098 0.000 2.462 484 S HA 0.276 4.746 4.470 -0.000 0.000 0.294 484 S C 0.394 174.939 174.600 -0.091 0.000 1.144 484 S CA -0.543 57.569 58.200 -0.146 0.000 1.088 484 S CB 1.550 64.672 63.200 -0.131 0.000 1.009 484 S HN 0.585 nan 8.310 nan 0.000 0.484 485 S N 2.726 118.399 115.700 -0.045 0.000 2.406 485 S HA -0.109 4.360 4.470 -0.000 0.000 0.228 485 S C 1.965 176.600 174.600 0.057 0.000 1.020 485 S CA 0.812 59.107 58.200 0.158 0.000 0.965 485 S CB -0.633 62.665 63.200 0.163 0.000 0.798 485 S HN 0.790 nan 8.310 nan 0.000 0.488 486 V N 4.057 123.954 119.914 -0.028 0.000 2.313 486 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 486 V C 1.213 177.314 176.094 0.013 0.000 1.070 486 V CA 2.520 64.816 62.300 -0.007 0.000 1.057 486 V CB -0.620 31.181 31.823 -0.036 0.000 0.653 486 V HN 0.870 nan 8.190 nan 0.000 0.450 487 N N -3.401 115.304 118.700 0.008 0.000 2.082 487 N HA 0.092 4.832 4.740 -0.000 0.000 0.228 487 N C -0.210 175.310 175.510 0.017 0.000 1.341 487 N CA 0.338 53.395 53.050 0.011 0.000 0.873 487 N CB 0.644 39.138 38.487 0.010 0.000 1.137 487 N HN 0.338 nan 8.380 nan 0.000 0.505 488 D N 1.081 121.507 120.400 0.044 0.000 2.870 488 D HA -0.162 4.478 4.640 -0.000 0.000 0.228 488 D C -0.331 176.012 176.300 0.071 0.000 1.147 488 D CA 1.132 55.186 54.000 0.090 0.000 0.757 488 D CB -0.800 40.037 40.800 0.062 0.000 1.091 488 D HN 0.530 nan 8.370 nan 0.000 0.429 489 K N 0.652 121.070 120.400 0.030 0.000 2.322 489 K HA 0.399 4.719 4.320 -0.000 0.000 0.283 489 K C 0.679 177.257 176.600 -0.036 0.000 1.042 489 K CA -0.021 56.269 56.287 0.005 0.000 0.958 489 K CB 0.867 33.362 32.500 -0.008 0.000 0.984 489 K HN 0.065 nan 8.250 nan 0.000 0.473 490 G N 4.998 113.752 108.800 -0.076 0.000 2.372 490 G HA2 0.142 4.102 3.960 -0.000 0.000 0.286 490 G HA3 0.142 4.102 3.960 -0.000 0.000 0.286 490 G C 0.599 175.340 174.900 -0.266 0.000 1.153 490 G CA -0.421 44.481 45.100 -0.330 0.000 0.985 490 G HN 0.717 nan 8.290 nan 0.000 0.429 491 L N 2.053 123.092 121.223 -0.306 0.000 2.022 491 L HA 0.240 4.580 4.340 -0.000 0.000 0.204 491 L C 1.749 178.526 176.870 -0.154 0.000 1.076 491 L CA 1.058 55.800 54.840 -0.162 0.000 0.749 491 L CB -0.264 41.735 42.059 -0.100 0.000 0.903 491 L HN 0.710 nan 8.230 nan 0.000 0.439 492 R N -1.825 118.553 120.500 -0.203 0.000 2.747 492 R HA 0.473 4.813 4.340 -0.000 0.000 0.272 492 R C -1.555 174.631 176.300 -0.191 0.000 1.032 492 R CA -0.894 55.111 56.100 -0.159 0.000 0.896 492 R CB 1.646 31.884 30.300 -0.104 0.000 1.253 492 R HN -0.269 nan 8.270 nan 0.000 0.461 493 V N 2.802 122.627 119.914 -0.148 0.000 2.385 493 V HA 0.156 4.276 4.120 -0.000 0.000 0.269 493 V C 1.291 177.261 176.094 -0.207 0.000 1.043 493 V CA -0.325 61.886 62.300 -0.149 0.000 0.906 493 V CB 1.035 32.802 31.823 -0.093 0.000 0.995 493 V HN 0.637 nan 8.190 nan 0.000 0.467 494 L N 2.984 124.016 121.223 -0.319 0.000 2.162 494 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 494 L C 0.835 177.411 176.870 -0.491 0.000 1.086 494 L CA 0.929 55.392 54.840 -0.629 0.000 0.778 494 L CB 0.165 41.524 42.059 -1.167 0.000 0.928 494 L HN 0.685 nan 8.230 nan 0.000 0.446 495 E N -0.657 119.405 120.200 -0.231 0.000 2.363 495 E HA 0.128 4.478 4.350 -0.000 0.000 0.281 495 E C -1.389 175.246 176.600 0.060 0.000 0.953 495 E CA -0.367 55.998 56.400 -0.058 0.000 0.778 495 E CB 1.317 30.978 29.700 -0.065 0.000 1.220 495 E HN 0.126 nan 8.360 nan 0.000 0.431 496 D N 2.614 123.040 120.400 0.043 0.000 2.538 496 D HA 0.121 4.761 4.640 -0.000 0.000 0.241 496 D C -0.345 175.967 176.300 0.019 0.000 1.297 496 D CA -0.202 53.815 54.000 0.030 0.000 0.804 496 D CB -0.144 40.653 40.800 -0.005 0.000 1.122 496 D HN 0.458 nan 8.370 nan 0.000 0.519 497 N N 0.856 119.581 118.700 0.041 0.000 2.708 497 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 497 N C 1.159 176.676 175.510 0.011 0.000 1.123 497 N CA 1.095 54.164 53.050 0.033 0.000 0.739 497 N CB -1.626 36.873 38.487 0.021 0.000 1.113 497 N HN 0.499 nan 8.380 nan 0.000 0.561 498 S N -0.931 114.774 115.700 0.009 0.000 2.400 498 S HA -0.071 4.399 4.470 -0.000 0.000 0.232 498 S C 2.139 176.753 174.600 0.023 0.000 1.025 498 S CA 1.126 59.329 58.200 0.005 0.000 0.993 498 S CB -0.251 62.952 63.200 0.004 0.000 0.808 498 S HN 0.556 nan 8.310 nan 0.000 0.478 499 A N 2.394 125.235 122.820 0.035 0.000 1.869 499 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 499 A C 2.264 179.889 177.584 0.068 0.000 1.203 499 A CA 1.932 53.999 52.037 0.050 0.000 0.638 499 A CB -1.131 17.902 19.000 0.055 0.000 0.831 499 A HN 0.523 nan 8.150 nan 0.000 0.450 500 L N -0.135 121.132 121.223 0.075 0.000 2.046 500 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 500 L C 2.058 178.968 176.870 0.067 0.000 1.077 500 L CA 2.636 57.538 54.840 0.103 0.000 0.747 500 L CB -0.620 41.500 42.059 0.101 0.000 0.896 500 L HN 0.466 nan 8.230 nan 0.000 0.432 501 D N -0.580 119.830 120.400 0.017 0.000 2.133 501 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 501 D C 2.005 178.315 176.300 0.016 0.000 0.997 501 D CA 1.003 54.996 54.000 -0.011 0.000 0.840 501 D CB 0.138 40.920 40.800 -0.030 0.000 0.947 501 D HN 0.194 nan 8.370 nan 0.000 0.452 502 K N 0.101 120.523 120.400 0.037 0.000 1.969 502 K HA -0.115 4.205 4.320 -0.000 0.000 0.216 502 K C 2.392 179.036 176.600 0.073 0.000 1.048 502 K CA 0.949 57.265 56.287 0.048 0.000 0.948 502 K CB -0.926 31.606 32.500 0.052 0.000 0.726 502 K HN 0.319 nan 8.250 nan 0.000 0.442 503 M N 0.682 120.352 119.600 0.117 0.000 2.195 503 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 503 M C 2.161 178.555 176.300 0.157 0.000 1.066 503 M CA 1.339 56.754 55.300 0.192 0.000 1.089 503 M CB -0.292 32.498 32.600 0.318 0.000 1.377 503 M HN 0.064 nan 8.290 nan 0.000 0.411 504 L N -0.057 121.205 121.223 0.065 0.000 2.313 504 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 504 L C 2.576 179.430 176.870 -0.027 0.000 1.119 504 L CA 0.768 55.582 54.840 -0.043 0.000 0.809 504 L CB -0.426 41.598 42.059 -0.058 0.000 0.933 504 L HN 0.462 nan 8.230 nan 0.000 0.449 505 Q N -1.384 118.421 119.800 0.008 0.000 2.435 505 Q HA -0.101 4.239 4.340 -0.000 0.000 0.207 505 Q C 1.169 177.188 176.000 0.031 0.000 0.956 505 Q CA 0.576 56.386 55.803 0.012 0.000 0.917 505 Q CB -0.314 28.433 28.738 0.015 0.000 0.997 505 Q HN 0.367 nan 8.270 nan 0.000 0.497 506 N N 1.229 119.960 118.700 0.052 0.000 2.515 506 N HA 0.003 4.743 4.740 -0.000 0.000 0.185 506 N C -0.259 175.297 175.510 0.076 0.000 1.109 506 N CA 0.292 53.387 53.050 0.075 0.000 0.903 506 N CB 0.771 39.325 38.487 0.112 0.000 0.969 506 N HN 0.206 nan 8.380 nan 0.000 0.450 507 V N 0.464 120.401 119.914 0.038 0.000 2.789 507 V HA 0.284 4.404 4.120 -0.000 0.000 0.311 507 V C -0.883 175.209 176.094 -0.004 0.000 1.073 507 V CA -0.838 61.481 62.300 0.032 0.000 0.921 507 V CB 2.052 33.879 31.823 0.008 0.000 1.009 507 V HN -0.015 nan 8.190 nan 0.000 0.426 508 Q N 6.308 126.112 119.800 0.007 0.000 2.613 508 Q HA 0.266 4.606 4.340 -0.000 0.000 0.228 508 Q C -0.201 175.752 176.000 -0.078 0.000 1.318 508 Q CA -0.176 55.596 55.803 -0.051 0.000 0.907 508 Q CB 0.273 28.982 28.738 -0.048 0.000 1.593 508 Q HN 0.624 nan 8.270 nan 0.000 0.559 509 M N 2.664 122.207 119.600 -0.096 0.000 2.226 509 M HA 0.271 4.751 4.480 -0.000 0.000 0.324 509 M C -2.039 174.180 176.300 -0.135 0.000 1.112 509 M CA -2.257 52.972 55.300 -0.118 0.000 1.176 509 M CB -0.566 31.970 32.600 -0.106 0.000 1.430 509 M HN 0.259 nan 8.290 nan 0.000 0.462 510 P HA 0.358 nan 4.420 nan 0.000 0.280 510 P C -0.982 176.234 177.300 -0.141 0.000 1.272 510 P CA -0.581 62.424 63.100 -0.158 0.000 0.819 510 P CB 0.668 32.260 31.700 -0.180 0.000 1.122 511 S N -0.953 114.656 115.700 -0.151 0.000 2.664 511 S HA 0.631 5.101 4.470 -0.000 0.000 0.304 511 S C -0.662 173.847 174.600 -0.152 0.000 1.099 511 S CA -0.814 57.312 58.200 -0.123 0.000 1.003 511 S CB 1.505 64.643 63.200 -0.103 0.000 1.092 511 S HN 0.432 nan 8.310 nan 0.000 0.525 512 K N 0.863 121.198 120.400 -0.110 0.000 2.413 512 K HA 0.351 4.671 4.320 -0.000 0.000 0.257 512 K C -1.202 175.343 176.600 -0.092 0.000 0.946 512 K CA -0.487 55.735 56.287 -0.108 0.000 0.823 512 K CB 1.176 33.631 32.500 -0.076 0.000 1.109 512 K HN 0.678 nan 8.250 nan 0.000 0.427 513 K N 5.613 125.943 120.400 -0.116 0.000 2.185 513 K HA 0.301 4.621 4.320 -0.000 0.000 0.269 513 K C -1.202 175.337 176.600 -0.102 0.000 0.987 513 K CA -0.624 55.605 56.287 -0.098 0.000 0.865 513 K CB 0.977 33.411 32.500 -0.110 0.000 1.090 513 K HN 0.588 nan 8.250 nan 0.000 0.450 514 L N 4.400 125.582 121.223 -0.068 0.000 2.319 514 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 514 L C -1.141 175.705 176.870 -0.041 0.000 1.005 514 L CA -0.137 54.689 54.840 -0.023 0.000 0.828 514 L CB 1.268 43.383 42.059 0.094 0.000 1.227 514 L HN 0.827 nan 8.230 nan 0.000 0.415 515 D N 2.960 123.156 120.400 -0.340 0.000 2.812 515 D HA 0.563 5.203 4.640 -0.000 0.000 0.318 515 D C -1.376 174.641 176.300 -0.471 0.000 1.234 515 D CA -0.035 53.714 54.000 -0.419 0.000 0.989 515 D CB 1.833 42.342 40.800 -0.485 0.000 1.442 515 D HN 0.248 nan 8.370 nan 0.000 0.537 516 F N -0.446 119.254 119.950 -0.417 0.000 2.629 516 F HA 0.746 5.273 4.527 -0.000 0.000 0.316 516 F C -0.715 175.200 175.800 0.191 0.000 1.081 516 F CA -1.118 56.729 58.000 -0.254 0.000 0.954 516 F CB 0.856 39.199 39.000 -1.095 0.000 1.337 516 F HN 0.335 nan 8.300 nan 0.000 0.474 517 I N -0.382 120.525 120.570 0.562 0.000 3.067 517 I HA 0.718 4.888 4.170 -0.000 0.000 0.312 517 I C -1.396 174.983 176.117 0.437 0.000 1.073 517 I CA -1.326 60.215 61.300 0.402 0.000 1.016 517 I CB 2.458 40.614 38.000 0.260 0.000 1.227 517 I HN 0.635 nan 8.210 nan 0.000 0.456 518 I N 3.472 124.224 120.570 0.303 0.000 2.389 518 I HA 0.450 4.620 4.170 -0.000 0.000 0.288 518 I C -0.980 175.274 176.117 0.228 0.000 0.999 518 I CA -0.484 60.963 61.300 0.244 0.000 1.129 518 I CB 1.680 39.785 38.000 0.174 0.000 1.288 518 I HN 0.378 nan 8.210 nan 0.000 0.444 519 L N 6.139 127.556 121.223 0.323 0.000 2.385 519 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 519 L C -0.302 176.711 176.870 0.238 0.000 0.990 519 L CA -1.018 53.976 54.840 0.257 0.000 0.821 519 L CB 1.548 43.758 42.059 0.252 0.000 1.279 519 L HN 0.540 nan 8.230 nan 0.000 0.412 520 N N 1.853 120.630 118.700 0.129 0.000 2.678 520 N HA -0.224 4.516 4.740 -0.000 0.000 0.268 520 N C -0.121 175.428 175.510 0.065 0.000 1.010 520 N CA 1.032 54.133 53.050 0.085 0.000 0.784 520 N CB -1.048 37.486 38.487 0.078 0.000 0.905 520 N HN 0.789 nan 8.380 nan 0.000 0.552 521 E N -2.729 117.502 120.200 0.052 0.000 2.170 521 E HA -0.280 4.070 4.350 -0.000 0.000 0.214 521 E C 0.187 176.771 176.600 -0.027 0.000 1.344 521 E CA 1.439 57.850 56.400 0.019 0.000 0.714 521 E CB -1.760 27.947 29.700 0.010 0.000 1.112 521 E HN 0.746 nan 8.360 nan 0.000 0.350 522 T N -2.135 112.388 114.554 -0.052 0.000 2.893 522 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 522 T C -0.198 174.304 174.700 -0.330 0.000 1.028 522 T CA -1.401 60.569 62.100 -0.215 0.000 0.995 522 T CB 1.856 70.541 68.868 -0.303 0.000 1.051 522 T HN 0.159 nan 8.240 nan 0.000 0.470 523 K N 2.007 122.147 120.400 -0.433 0.000 2.205 523 K HA 0.504 4.824 4.320 -0.000 0.000 0.279 523 K C -1.315 174.952 176.600 -0.556 0.000 1.027 523 K CA -0.599 55.407 56.287 -0.468 0.000 0.932 523 K CB 0.672 32.618 32.500 -0.924 0.000 1.032 523 K HN 0.574 nan 8.250 nan 0.000 0.466 524 F N 1.336 121.317 119.950 0.051 0.000 2.493 524 F HA 0.300 4.827 4.527 -0.000 0.000 0.329 524 F C -0.647 175.269 175.800 0.193 0.000 1.126 524 F CA -0.899 57.180 58.000 0.131 0.000 0.937 524 F CB 1.143 40.272 39.000 0.216 0.000 1.146 524 F HN 0.492 nan 8.300 nan 0.000 0.442 525 W N 3.778 125.238 121.300 0.267 0.000 2.316 525 W HA 0.473 5.133 4.660 -0.000 0.000 0.321 525 W C -0.521 176.226 176.519 0.380 0.000 1.203 525 W CA -0.627 56.908 57.345 0.316 0.000 1.214 525 W CB 0.465 30.030 29.460 0.175 0.000 1.169 525 W HN 0.427 nan 8.180 nan 0.000 0.561 526 Y N -0.209 120.433 120.300 0.571 0.000 2.605 526 Y HA 0.716 5.266 4.550 -0.000 0.000 0.343 526 Y C -0.747 175.376 175.900 0.373 0.000 1.036 526 Y CA -1.960 56.469 58.100 0.548 0.000 1.065 526 Y CB 1.184 40.094 38.460 0.750 0.000 1.288 526 Y HN 0.555 nan 8.280 nan 0.000 0.481 527 Q N 2.079 122.089 119.800 0.350 0.000 2.421 527 Q HA 0.761 5.101 4.340 -0.000 0.000 0.280 527 Q C -1.852 174.229 176.000 0.135 0.000 1.085 527 Q CA -1.148 54.734 55.803 0.132 0.000 0.807 527 Q CB 3.193 31.992 28.738 0.103 0.000 1.405 527 Q HN 0.857 nan 8.270 nan 0.000 0.419 528 M N 2.836 122.444 119.600 0.014 0.000 2.213 528 M HA 0.408 4.888 4.480 -0.000 0.000 0.286 528 M C -1.242 174.971 176.300 -0.144 0.000 1.008 528 M CA -0.882 54.373 55.300 -0.074 0.000 0.937 528 M CB 2.125 34.647 32.600 -0.131 0.000 1.600 528 M HN 0.620 nan 8.290 nan 0.000 0.450 529 I N 5.161 125.646 120.570 -0.142 0.000 2.322 529 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 529 I C -0.331 175.627 176.117 -0.265 0.000 1.060 529 I CA -0.197 60.994 61.300 -0.182 0.000 1.309 529 I CB 0.020 37.933 38.000 -0.145 0.000 1.415 529 I HN 0.653 nan 8.210 nan 0.000 0.492 530 L N 8.596 129.614 121.223 -0.341 0.000 2.309 530 L HA 0.472 4.812 4.340 -0.000 0.000 0.282 530 L C -2.195 174.480 176.870 -0.326 0.000 1.036 530 L CA -1.821 52.717 54.840 -0.503 0.000 0.806 530 L CB 1.328 42.923 42.059 -0.772 0.000 1.220 530 L HN 0.293 nan 8.230 nan 0.000 0.429 531 P HA 0.056 nan 4.420 nan 0.000 0.268 531 P C -2.460 174.789 177.300 -0.086 0.000 1.208 531 P CA -0.885 62.139 63.100 -0.127 0.000 0.777 531 P CB -0.291 31.400 31.700 -0.015 0.000 0.875 532 P HA -0.091 nan 4.420 nan 0.000 0.268 532 P C -0.156 177.037 177.300 -0.177 0.000 1.208 532 P CA 0.687 63.634 63.100 -0.256 0.000 0.777 532 P CB -0.047 31.420 31.700 -0.388 0.000 0.875 533 H N -1.354 117.749 119.070 0.055 0.000 2.713 533 H HA -0.210 4.346 4.556 -0.000 0.000 0.311 533 H C 0.030 175.411 175.328 0.088 0.000 1.175 533 H CA 0.132 56.213 56.048 0.055 0.000 1.143 533 H CB -2.603 27.184 29.762 0.042 0.000 1.434 533 H HN 0.415 nan 8.280 nan 0.000 0.418 534 F N 2.739 122.685 119.950 -0.007 0.000 2.546 534 F HA 0.143 4.670 4.527 -0.000 0.000 0.388 534 F C 0.479 176.269 175.800 -0.016 0.000 1.051 534 F CA -0.565 57.380 58.000 -0.092 0.000 1.130 534 F CB 0.397 39.231 39.000 -0.277 0.000 1.044 534 F HN 0.143 nan 8.300 nan 0.000 0.553 535 D N 6.386 126.542 120.400 -0.406 0.000 2.443 535 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 535 D C 0.856 176.788 176.300 -0.613 0.000 1.097 535 D CA -0.511 53.244 54.000 -0.408 0.000 0.865 535 D CB 0.773 41.506 40.800 -0.112 0.000 1.034 535 D HN 0.691 nan 8.370 nan 0.000 0.511 536 K N 1.727 121.642 120.400 -0.808 0.000 2.585 536 K HA -0.096 4.224 4.320 -0.000 0.000 0.194 536 K C 0.659 177.207 176.600 -0.087 0.000 1.037 536 K CA 0.932 56.852 56.287 -0.612 0.000 0.964 536 K CB -0.094 32.178 32.500 -0.380 0.000 0.787 536 K HN 0.226 nan 8.250 nan 0.000 0.488 537 S N -0.548 115.102 115.700 -0.083 0.000 2.523 537 S HA 0.158 4.628 4.470 -0.000 0.000 0.217 537 S C 0.131 174.735 174.600 0.007 0.000 0.996 537 S CA -0.655 57.542 58.200 -0.004 0.000 0.921 537 S CB 0.179 63.358 63.200 -0.034 0.000 0.829 537 S HN 0.211 nan 8.310 nan 0.000 0.495 538 K N 1.328 121.729 120.400 0.000 0.000 2.090 538 K HA 0.421 4.741 4.320 -0.000 0.000 0.249 538 K C -0.607 175.982 176.600 -0.019 0.000 0.995 538 K CA -0.831 55.401 56.287 -0.091 0.000 0.914 538 K CB 0.524 32.846 32.500 -0.297 0.000 1.057 538 K HN -0.066 nan 8.250 nan 0.000 0.462 539 K N 2.483 122.815 120.400 -0.113 0.000 2.268 539 K HA 0.205 4.525 4.320 -0.000 0.000 0.276 539 K C -0.842 175.686 176.600 -0.119 0.000 1.080 539 K CA -0.119 56.147 56.287 -0.035 0.000 0.910 539 K CB 0.153 32.620 32.500 -0.055 0.000 1.163 539 K HN 0.442 nan 8.250 nan 0.000 0.465 540 Y N 3.473 123.816 120.300 0.072 0.000 2.320 540 Y HA 0.208 4.758 4.550 -0.000 0.000 0.324 540 Y C -1.638 174.205 175.900 -0.095 0.000 1.190 540 Y CA -2.111 56.004 58.100 0.025 0.000 1.215 540 Y CB 0.773 39.314 38.460 0.135 0.000 1.221 540 Y HN 0.436 nan 8.280 nan 0.000 0.486 541 P HA 0.176 nan 4.420 nan 0.000 0.279 541 P C -1.158 175.991 177.300 -0.252 0.000 1.239 541 P CA -0.216 62.616 63.100 -0.448 0.000 0.789 541 P CB 1.437 32.556 31.700 -0.970 0.000 0.933 542 L N 3.642 124.759 121.223 -0.177 0.000 2.362 542 L HA 0.487 4.827 4.340 -0.000 0.000 0.275 542 L C -1.009 176.040 176.870 0.298 0.000 0.998 542 L CA -0.946 53.936 54.840 0.071 0.000 0.820 542 L CB 1.475 43.579 42.059 0.075 0.000 1.270 542 L HN 0.251 nan 8.230 nan 0.000 0.415 543 L N 5.893 127.315 121.223 0.332 0.000 2.280 543 L HA 0.391 4.731 4.340 -0.000 0.000 0.287 543 L C -1.047 176.061 176.870 0.396 0.000 1.023 543 L CA -0.859 54.234 54.840 0.423 0.000 0.819 543 L CB 1.623 43.886 42.059 0.338 0.000 1.212 543 L HN 0.601 nan 8.230 nan 0.000 0.420 544 L N 5.425 126.930 121.223 0.469 0.000 2.278 544 L HA 0.283 4.623 4.340 -0.000 0.000 0.287 544 L C -0.139 176.975 176.870 0.406 0.000 1.072 544 L CA 0.218 55.324 54.840 0.443 0.000 0.819 544 L CB 0.682 43.054 42.059 0.521 0.000 1.176 544 L HN 0.476 nan 8.230 nan 0.000 0.435 545 D N 4.362 124.971 120.400 0.348 0.000 2.347 545 D HA 0.192 4.832 4.640 -0.000 0.000 0.235 545 D C -1.033 175.347 176.300 0.134 0.000 1.149 545 D CA 0.079 54.207 54.000 0.212 0.000 0.850 545 D CB 1.264 42.246 40.800 0.303 0.000 1.061 545 D HN 0.341 nan 8.370 nan 0.000 0.487 546 V N 5.862 125.780 119.914 0.007 0.000 2.555 546 V HA 0.334 4.454 4.120 -0.000 0.000 0.302 546 V C -0.642 175.536 176.094 0.141 0.000 1.038 546 V CA -0.447 61.920 62.300 0.112 0.000 0.887 546 V CB 1.705 33.596 31.823 0.114 0.000 0.991 546 V HN 0.641 nan 8.190 nan 0.000 0.434 547 Y N 5.647 126.005 120.300 0.097 0.000 2.697 547 Y HA 0.490 5.040 4.550 -0.000 0.000 0.268 547 Y C 1.716 177.731 175.900 0.191 0.000 1.092 547 Y CA 1.259 59.438 58.100 0.132 0.000 1.304 547 Y CB 0.390 38.911 38.460 0.102 0.000 1.446 547 Y HN 0.913 nan 8.280 nan 0.000 0.491 548 A N 0.565 123.490 122.820 0.175 0.000 3.153 548 A HA -0.210 4.110 4.320 -0.000 0.000 0.265 548 A C 1.055 178.469 177.584 -0.283 0.000 1.212 548 A CA 0.895 52.974 52.037 0.069 0.000 1.018 548 A CB -2.607 16.504 19.000 0.184 0.000 1.130 548 A HN 0.857 nan 8.150 nan 0.000 0.873 549 G N -0.673 107.726 108.800 -0.668 0.000 2.594 549 G HA2 0.451 4.411 3.960 -0.000 0.000 0.243 549 G HA3 0.451 4.411 3.960 -0.000 0.000 0.243 549 G C -2.184 172.453 174.900 -0.439 0.000 1.229 549 G CA -0.597 43.786 45.100 -1.194 0.000 0.843 549 G HN 0.280 nan 8.290 nan 0.000 0.578 550 P HA 0.027 nan 4.420 nan 0.000 0.260 550 P C 0.690 177.920 177.300 -0.116 0.000 1.172 550 P CA 0.226 63.109 63.100 -0.362 0.000 0.760 550 P CB 0.570 31.691 31.700 -0.966 0.000 0.773 551 C N 2.705 121.965 119.300 -0.066 0.000 4.392 551 C HA -0.162 4.298 4.460 -0.000 0.000 0.280 551 C C 1.056 176.085 174.990 0.066 0.000 1.381 551 C CA 1.142 60.074 59.018 -0.145 0.000 1.871 551 C CB -2.657 24.814 27.740 -0.449 0.000 1.323 551 C HN 0.792 nan 8.230 nan 0.000 0.772 552 S N -0.037 115.767 115.700 0.173 0.000 2.645 552 S HA 0.563 5.033 4.470 -0.000 0.000 0.266 552 S C -0.546 174.221 174.600 0.279 0.000 1.258 552 S CA 0.273 58.653 58.200 0.300 0.000 0.990 552 S CB 1.556 65.002 63.200 0.410 0.000 0.967 552 S HN 0.843 nan 8.310 nan 0.000 0.556 553 Q N -0.070 119.906 119.800 0.293 0.000 2.526 553 Q HA 0.319 4.659 4.340 -0.000 0.000 0.238 553 Q C -0.745 175.366 176.000 0.185 0.000 0.866 553 Q CA -0.543 55.416 55.803 0.260 0.000 0.801 553 Q CB 0.863 29.799 28.738 0.329 0.000 1.380 553 Q HN 0.683 nan 8.270 nan 0.000 0.446 554 K N 0.876 121.385 120.400 0.182 0.000 2.358 554 K HA 0.320 4.640 4.320 -0.000 0.000 0.197 554 K C -0.331 176.363 176.600 0.156 0.000 1.025 554 K CA 0.289 56.673 56.287 0.162 0.000 1.104 554 K CB 1.402 34.023 32.500 0.201 0.000 0.855 554 K HN 0.468 nan 8.250 nan 0.000 0.531 555 A N 2.642 125.560 122.820 0.164 0.000 2.399 555 A HA 0.394 4.714 4.320 -0.000 0.000 0.327 555 A C -0.786 176.857 177.584 0.099 0.000 1.367 555 A CA -0.628 51.509 52.037 0.166 0.000 0.842 555 A CB 0.081 19.238 19.000 0.262 0.000 1.142 555 A HN 0.225 nan 8.150 nan 0.000 0.495 556 D N -0.188 120.251 120.400 0.064 0.000 2.781 556 D HA 0.510 5.150 4.640 -0.000 0.000 0.295 556 D C 0.401 176.720 176.300 0.031 0.000 1.143 556 D CA 0.264 54.296 54.000 0.054 0.000 1.076 556 D CB 0.474 41.328 40.800 0.089 0.000 1.444 556 D HN 0.128 nan 8.370 nan 0.000 0.567 557 T N -2.199 112.398 114.554 0.072 0.000 3.243 557 T HA 0.377 4.727 4.350 -0.000 0.000 0.264 557 T C 0.201 174.867 174.700 -0.057 0.000 1.000 557 T CA -0.479 61.646 62.100 0.042 0.000 0.901 557 T CB -0.804 68.126 68.868 0.103 0.000 1.083 557 T HN 0.258 nan 8.240 nan 0.000 0.559 558 V N 2.175 121.949 119.914 -0.233 0.000 2.775 558 V HA 0.363 4.483 4.120 -0.000 0.000 0.299 558 V C 0.091 176.126 176.094 -0.099 0.000 1.062 558 V CA -0.912 61.209 62.300 -0.299 0.000 1.063 558 V CB 0.387 31.936 31.823 -0.456 0.000 0.994 558 V HN 0.589 nan 8.190 nan 0.000 0.483 559 F N 5.522 125.368 119.950 -0.174 0.000 2.411 559 F HA 0.566 5.093 4.527 -0.000 0.000 0.355 559 F C 0.452 176.188 175.800 -0.106 0.000 1.117 559 F CA -0.270 57.655 58.000 -0.125 0.000 1.139 559 F CB 0.316 39.251 39.000 -0.108 0.000 1.120 559 F HN 0.403 nan 8.300 nan 0.000 0.493 560 R N 6.985 127.019 120.500 -0.776 0.000 2.628 560 R HA 0.502 4.842 4.340 -0.000 0.000 0.288 560 R C -1.591 174.320 176.300 -0.647 0.000 0.980 560 R CA -1.021 54.776 56.100 -0.505 0.000 0.891 560 R CB 2.144 32.288 30.300 -0.261 0.000 1.188 560 R HN 0.666 nan 8.270 nan 0.000 0.450 561 L N 4.400 125.406 121.223 -0.361 0.000 2.283 561 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 561 L C -0.561 176.262 176.870 -0.078 0.000 1.033 561 L CA -0.577 54.105 54.840 -0.264 0.000 0.848 561 L CB 0.479 42.507 42.059 -0.051 0.000 1.226 561 L HN 0.774 nan 8.230 nan 0.000 0.429 562 N N 0.208 118.780 118.700 -0.212 0.000 3.316 562 N HA 0.154 4.894 4.740 -0.000 0.000 0.300 562 N C 0.136 175.261 175.510 -0.642 0.000 1.567 562 N CA -0.915 51.878 53.050 -0.428 0.000 0.821 562 N CB 0.166 38.572 38.487 -0.135 0.000 1.748 562 N HN 0.266 nan 8.380 nan 0.000 0.603 563 W N 0.566 121.247 121.300 -1.032 0.000 2.325 563 W HA 0.008 4.668 4.660 -0.000 0.000 0.299 563 W C 2.020 178.490 176.519 -0.082 0.000 1.215 563 W CA 3.015 60.044 57.345 -0.525 0.000 1.244 563 W CB -1.015 28.321 29.460 -0.207 0.000 1.140 563 W HN 0.729 nan 8.180 nan 0.000 0.523 564 A N -0.774 122.030 122.820 -0.027 0.000 1.933 564 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 564 A C 1.957 179.441 177.584 -0.168 0.000 1.175 564 A CA 2.406 54.368 52.037 -0.126 0.000 0.628 564 A CB -1.262 17.744 19.000 0.010 0.000 0.814 564 A HN 0.290 nan 8.150 nan 0.000 0.444 565 T N -0.994 113.471 114.554 -0.149 0.000 2.652 565 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 565 T C 1.802 176.518 174.700 0.027 0.000 1.039 565 T CA 1.834 63.834 62.100 -0.167 0.000 1.153 565 T CB -0.577 68.064 68.868 -0.378 0.000 0.863 565 T HN 0.666 nan 8.240 nan 0.000 0.428 566 Y N 2.106 122.478 120.300 0.120 0.000 2.128 566 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 566 Y C 2.029 177.894 175.900 -0.059 0.000 1.154 566 Y CA 1.120 59.296 58.100 0.127 0.000 1.149 566 Y CB -0.779 37.733 38.460 0.087 0.000 0.976 566 Y HN 0.128 nan 8.280 nan 0.000 0.505 567 L N 0.132 120.952 121.223 -0.673 0.000 2.042 567 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 567 L C 2.862 179.475 176.870 -0.429 0.000 1.076 567 L CA 1.312 55.697 54.840 -0.758 0.000 0.749 567 L CB -1.059 40.608 42.059 -0.653 0.000 0.893 567 L HN 0.433 nan 8.230 nan 0.000 0.432 568 A N -0.830 121.817 122.820 -0.289 0.000 1.841 568 A HA -0.236 4.084 4.320 -0.000 0.000 0.214 568 A C 2.540 180.030 177.584 -0.158 0.000 1.195 568 A CA 2.039 53.958 52.037 -0.197 0.000 0.611 568 A CB -0.882 18.004 19.000 -0.189 0.000 0.835 568 A HN 0.381 nan 8.150 nan 0.000 0.443 569 S N -1.265 114.355 115.700 -0.133 0.000 2.348 569 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 569 S C 1.933 176.504 174.600 -0.047 0.000 1.033 569 S CA 2.389 60.554 58.200 -0.058 0.000 1.010 569 S CB -0.523 62.702 63.200 0.042 0.000 0.891 569 S HN 0.560 nan 8.310 nan 0.000 0.442 570 T N 0.902 115.388 114.554 -0.113 0.000 3.040 570 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 570 T C 1.203 175.833 174.700 -0.117 0.000 1.064 570 T CA 0.470 62.527 62.100 -0.071 0.000 1.110 570 T CB 0.020 68.908 68.868 0.032 0.000 0.921 570 T HN 0.350 nan 8.240 nan 0.000 0.480 571 E N 1.177 121.231 120.200 -0.243 0.000 2.498 571 E HA 0.179 4.529 4.350 -0.000 0.000 0.203 571 E C -0.224 176.346 176.600 -0.050 0.000 1.013 571 E CA -0.118 56.192 56.400 -0.150 0.000 0.927 571 E CB -0.178 29.379 29.700 -0.237 0.000 1.012 571 E HN 0.527 nan 8.360 nan 0.000 0.482 572 N N 1.129 119.810 118.700 -0.031 0.000 2.688 572 N HA -0.199 4.541 4.740 -0.000 0.000 0.258 572 N C -0.882 174.693 175.510 0.109 0.000 1.016 572 N CA 0.371 53.471 53.050 0.084 0.000 0.747 572 N CB -1.269 37.325 38.487 0.178 0.000 0.895 572 N HN 0.232 nan 8.380 nan 0.000 0.543 573 I N 0.730 121.300 120.570 0.001 0.000 2.433 573 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 573 I C 0.502 176.590 176.117 -0.049 0.000 1.001 573 I CA -0.985 60.325 61.300 0.016 0.000 1.119 573 I CB 1.481 39.508 38.000 0.044 0.000 1.289 573 I HN 0.073 nan 8.210 nan 0.000 0.438 574 I N 6.359 126.903 120.570 -0.043 0.000 2.452 574 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 574 I C -0.275 175.818 176.117 -0.040 0.000 1.079 574 I CA -0.330 60.898 61.300 -0.120 0.000 1.387 574 I CB 0.800 38.715 38.000 -0.142 0.000 1.404 574 I HN 0.209 nan 8.210 nan 0.000 0.522 575 V N 6.808 126.689 119.914 -0.056 0.000 2.328 575 V HA 0.593 4.713 4.120 -0.000 0.000 0.278 575 V C 0.395 176.512 176.094 0.040 0.000 1.021 575 V CA -0.455 61.866 62.300 0.035 0.000 0.838 575 V CB 1.022 32.862 31.823 0.028 0.000 0.999 575 V HN 0.832 nan 8.190 nan 0.000 0.447 576 A N 4.047 126.924 122.820 0.095 0.000 2.350 576 A HA 0.905 5.225 4.320 -0.000 0.000 0.324 576 A C -0.110 177.624 177.584 0.249 0.000 1.118 576 A CA -0.454 51.635 52.037 0.086 0.000 0.783 576 A CB 1.574 20.498 19.000 -0.126 0.000 1.236 576 A HN 0.679 nan 8.150 nan 0.000 0.457 577 S N 0.142 116.023 115.700 0.302 0.000 2.568 577 S HA 0.799 5.269 4.470 -0.000 0.000 0.293 577 S C -1.371 173.567 174.600 0.563 0.000 1.089 577 S CA -0.314 58.115 58.200 0.382 0.000 0.945 577 S CB 1.345 64.713 63.200 0.280 0.000 1.077 577 S HN 0.769 nan 8.310 nan 0.000 0.485 578 F N 1.798 121.974 119.950 0.377 0.000 2.585 578 F HA 0.397 4.924 4.527 -0.000 0.000 0.319 578 F C -1.557 174.443 175.800 0.334 0.000 1.165 578 F CA -0.767 57.482 58.000 0.414 0.000 0.949 578 F CB 1.288 40.521 39.000 0.389 0.000 1.218 578 F HN 0.377 nan 8.300 nan 0.000 0.453 579 D N 4.911 125.143 120.400 -0.279 0.000 2.393 579 D HA 0.361 5.001 4.640 -0.000 0.000 0.232 579 D C 0.447 176.453 176.300 -0.490 0.000 1.192 579 D CA 0.299 54.180 54.000 -0.199 0.000 0.882 579 D CB 1.407 42.237 40.800 0.050 0.000 1.038 579 D HN 0.759 nan 8.370 nan 0.000 0.499 580 G N 1.587 110.231 108.800 -0.261 0.000 2.782 580 G HA2 0.289 4.249 3.960 -0.000 0.000 0.201 580 G HA3 0.289 4.249 3.960 -0.000 0.000 0.201 580 G C 0.095 175.051 174.900 0.093 0.000 1.374 580 G CA -0.727 44.297 45.100 -0.127 0.000 1.039 580 G HN 0.296 nan 8.290 nan 0.000 0.576 581 R N -0.631 119.906 120.500 0.061 0.000 2.570 581 R HA 0.387 4.727 4.340 -0.000 0.000 0.277 581 R C 1.177 177.569 176.300 0.153 0.000 1.039 581 R CA 1.449 57.644 56.100 0.158 0.000 1.065 581 R CB 0.590 30.949 30.300 0.099 0.000 0.964 581 R HN 1.027 nan 8.270 nan 0.000 0.428 582 G N 1.188 110.069 108.800 0.136 0.000 2.254 582 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.225 582 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.225 582 G C 0.133 175.066 174.900 0.054 0.000 1.003 582 G CA 0.110 45.275 45.100 0.108 0.000 0.622 582 G HN 0.699 nan 8.290 nan 0.000 0.507 583 S N 0.368 116.108 115.700 0.066 0.000 2.608 583 S HA 0.669 5.139 4.470 -0.000 0.000 0.261 583 S C 0.876 175.450 174.600 -0.042 0.000 1.314 583 S CA 0.378 58.606 58.200 0.046 0.000 0.992 583 S CB 1.693 64.953 63.200 0.101 0.000 0.935 583 S HN 1.639 nan 8.310 nan 0.000 0.564 584 G N -1.373 107.359 108.800 -0.114 0.000 2.552 584 G HA2 0.504 4.464 3.960 -0.000 0.000 0.318 584 G HA3 0.504 4.464 3.960 -0.000 0.000 0.318 584 G C -0.923 173.794 174.900 -0.306 0.000 1.240 584 G CA -0.973 43.852 45.100 -0.459 0.000 1.002 584 G HN 0.926 nan 8.290 nan 0.000 0.493 585 Y N -2.544 117.732 120.300 -0.040 0.000 4.907 585 Y HA -0.221 4.329 4.550 -0.000 0.000 0.246 585 Y C 1.487 177.376 175.900 -0.019 0.000 0.968 585 Y CA 1.106 59.191 58.100 -0.024 0.000 1.961 585 Y CB -2.026 36.434 38.460 -0.001 0.000 1.487 585 Y HN 0.531 nan 8.280 nan 0.000 0.575 586 Q N 0.259 120.052 119.800 -0.011 0.000 2.110 586 Q HA 0.504 4.844 4.340 -0.000 0.000 0.232 586 Q C 1.038 176.891 176.000 -0.244 0.000 0.810 586 Q CA 0.216 56.016 55.803 -0.004 0.000 1.083 586 Q CB 1.470 30.214 28.738 0.009 0.000 1.193 586 Q HN 0.558 nan 8.270 nan 0.000 0.471 587 G N 1.009 109.549 108.800 -0.434 0.000 2.758 587 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 587 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 587 G C -0.327 174.201 174.900 -0.620 0.000 1.389 587 G CA -0.409 44.200 45.100 -0.818 0.000 0.845 587 G HN 0.194 nan 8.290 nan 0.000 0.572 588 D N 0.447 120.445 120.400 -0.670 0.000 2.219 588 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 588 D C 2.488 178.512 176.300 -0.459 0.000 0.970 588 D CA 1.469 55.036 54.000 -0.722 0.000 0.851 588 D CB 0.022 40.368 40.800 -0.757 0.000 0.943 588 D HN 0.723 nan 8.370 nan 0.000 0.488 589 K N 0.846 121.040 120.400 -0.344 0.000 2.097 589 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 589 K C 2.015 178.536 176.600 -0.132 0.000 1.049 589 K CA 0.933 57.105 56.287 -0.190 0.000 0.933 589 K CB -0.315 32.093 32.500 -0.153 0.000 0.717 589 K HN 0.210 nan 8.250 nan 0.000 0.442 590 I N 0.734 121.211 120.570 -0.156 0.000 2.339 590 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 590 I C 2.854 178.944 176.117 -0.046 0.000 1.096 590 I CA 0.651 61.924 61.300 -0.045 0.000 1.408 590 I CB -0.137 37.850 38.000 -0.020 0.000 1.092 590 I HN 0.141 nan 8.210 nan 0.000 0.423 591 M N 0.447 119.944 119.600 -0.172 0.000 2.059 591 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 591 M C 2.067 178.378 176.300 0.017 0.000 1.072 591 M CA 2.047 57.266 55.300 -0.135 0.000 1.117 591 M CB -0.401 32.008 32.600 -0.319 0.000 1.320 591 M HN 0.246 nan 8.290 nan 0.000 0.408 592 H N -0.535 118.431 119.070 -0.173 0.000 2.563 592 H HA 0.078 4.634 4.556 -0.000 0.000 0.272 592 H C 1.709 177.062 175.328 0.042 0.000 1.005 592 H CA 0.103 56.068 56.048 -0.138 0.000 1.171 592 H CB -0.058 29.530 29.762 -0.290 0.000 1.351 592 H HN 0.526 nan 8.280 nan 0.000 0.602 593 A N 1.361 124.277 122.820 0.160 0.000 2.178 593 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 593 A C 1.937 179.707 177.584 0.311 0.000 1.157 593 A CA 0.940 53.071 52.037 0.156 0.000 0.689 593 A CB -0.627 18.408 19.000 0.059 0.000 0.787 593 A HN 0.608 nan 8.150 nan 0.000 0.465 594 I N -3.871 116.886 120.570 0.312 0.000 3.974 594 I HA 0.210 4.380 4.170 -0.000 0.000 0.334 594 I C 0.328 176.588 176.117 0.239 0.000 1.437 594 I CA -0.600 60.879 61.300 0.298 0.000 1.113 594 I CB -0.391 37.753 38.000 0.240 0.000 1.063 594 I HN 0.159 nan 8.210 nan 0.000 0.400 595 N N 2.944 121.816 118.700 0.287 0.000 2.353 595 N HA -0.055 4.685 4.740 -0.000 0.000 0.248 595 N C 0.308 175.900 175.510 0.136 0.000 1.240 595 N CA 0.361 53.580 53.050 0.282 0.000 0.862 595 N CB 0.392 39.010 38.487 0.218 0.000 1.086 595 N HN 0.371 nan 8.380 nan 0.000 0.453 596 R N 0.256 120.818 120.500 0.103 0.000 4.024 596 R HA -0.236 4.104 4.340 -0.000 0.000 0.372 596 R C 0.089 176.375 176.300 -0.023 0.000 1.192 596 R CA 1.218 57.343 56.100 0.041 0.000 1.183 596 R CB -0.954 29.370 30.300 0.039 0.000 1.672 596 R HN 0.587 nan 8.270 nan 0.000 0.571 597 R N 0.612 121.089 120.500 -0.039 0.000 2.734 597 R HA 0.235 4.575 4.340 -0.000 0.000 0.395 597 R C -0.869 175.477 176.300 0.078 0.000 1.096 597 R CA -0.418 55.535 56.100 -0.247 0.000 1.071 597 R CB 0.453 30.580 30.300 -0.288 0.000 1.348 597 R HN -0.087 nan 8.270 nan 0.000 0.600 598 L N -0.093 121.264 121.223 0.223 0.000 2.483 598 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 598 L C 1.533 178.661 176.870 0.430 0.000 1.213 598 L CA 1.846 56.829 54.840 0.239 0.000 0.843 598 L CB 0.737 42.757 42.059 -0.066 0.000 1.107 598 L HN 0.649 nan 8.230 nan 0.000 0.487 599 G N 0.812 109.878 108.800 0.444 0.000 2.148 599 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 599 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 599 G C 0.583 175.568 174.900 0.141 0.000 0.981 599 G CA 1.090 46.390 45.100 0.334 0.000 0.670 599 G HN 0.924 nan 8.290 nan 0.000 0.528 600 T N -3.350 111.258 114.554 0.090 0.000 3.066 600 T HA 0.479 4.829 4.350 -0.000 0.000 0.176 600 T C 1.648 176.330 174.700 -0.029 0.000 0.826 600 T CA 0.885 62.931 62.100 -0.090 0.000 1.280 600 T CB -0.141 68.507 68.868 -0.367 0.000 2.214 600 T HN 0.173 nan 8.240 nan 0.000 0.399 601 F N 3.561 123.557 119.950 0.077 0.000 2.147 601 F HA -0.054 4.473 4.527 -0.000 0.000 0.301 601 F C 2.790 178.631 175.800 0.068 0.000 1.084 601 F CA 1.566 59.600 58.000 0.057 0.000 1.268 601 F CB -0.716 38.317 39.000 0.055 0.000 1.009 601 F HN 0.559 nan 8.300 nan 0.000 0.486 602 E N 1.218 121.583 120.200 0.276 0.000 2.204 602 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 602 E C 2.190 178.899 176.600 0.183 0.000 0.989 602 E CA 1.730 58.265 56.400 0.226 0.000 0.824 602 E CB -1.152 28.693 29.700 0.242 0.000 0.756 602 E HN 0.388 nan 8.360 nan 0.000 0.477 603 V N -0.506 119.486 119.914 0.130 0.000 2.535 603 V HA -0.065 4.055 4.120 -0.000 0.000 0.246 603 V C 1.957 178.083 176.094 0.053 0.000 1.045 603 V CA 1.578 63.909 62.300 0.052 0.000 1.058 603 V CB -0.388 31.408 31.823 -0.045 0.000 0.689 603 V HN -0.021 nan 8.190 nan 0.000 0.461 604 E N 0.904 121.149 120.200 0.074 0.000 2.072 604 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 604 E C 1.916 178.544 176.600 0.046 0.000 0.985 604 E CA 1.744 58.183 56.400 0.065 0.000 0.801 604 E CB -0.297 29.463 29.700 0.100 0.000 0.750 604 E HN 0.660 nan 8.360 nan 0.000 0.452 605 D N -0.202 120.243 120.400 0.076 0.000 2.218 605 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 605 D C 1.823 178.126 176.300 0.006 0.000 0.976 605 D CA 0.766 54.784 54.000 0.031 0.000 0.853 605 D CB -0.058 40.801 40.800 0.098 0.000 0.939 605 D HN 0.054 nan 8.370 nan 0.000 0.481 606 Q N 0.239 120.097 119.800 0.096 0.000 2.049 606 Q HA 0.018 4.358 4.340 -0.000 0.000 0.198 606 Q C 2.176 178.201 176.000 0.041 0.000 0.971 606 Q CA 0.832 56.701 55.803 0.111 0.000 0.833 606 Q CB -0.192 28.641 28.738 0.159 0.000 0.896 606 Q HN 0.297 nan 8.270 nan 0.000 0.434 607 I N 0.505 121.124 120.570 0.081 0.000 2.208 607 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 607 I C 2.219 178.296 176.117 -0.067 0.000 1.097 607 I CA 1.135 62.518 61.300 0.138 0.000 1.363 607 I CB -0.368 37.703 38.000 0.117 0.000 1.051 607 I HN 0.246 nan 8.210 nan 0.000 0.413 608 E N 1.375 121.482 120.200 -0.157 0.000 2.038 608 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 608 E C 2.284 178.594 176.600 -0.484 0.000 1.000 608 E CA 1.811 58.052 56.400 -0.265 0.000 0.803 608 E CB -0.413 29.141 29.700 -0.245 0.000 0.750 608 E HN 0.434 nan 8.360 nan 0.000 0.448 609 A N 1.082 123.456 122.820 -0.744 0.000 1.917 609 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 609 A C 2.437 179.291 177.584 -1.216 0.000 1.182 609 A CA 2.770 54.055 52.037 -1.252 0.000 0.633 609 A CB -0.906 17.109 19.000 -1.642 0.000 0.819 609 A HN 0.338 nan 8.150 nan 0.000 0.448 610 A N -0.202 122.277 122.820 -0.568 0.000 1.865 610 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 610 A C 2.240 179.589 177.584 -0.392 0.000 1.191 610 A CA 1.687 53.519 52.037 -0.343 0.000 0.623 610 A CB -0.581 18.261 19.000 -0.263 0.000 0.826 610 A HN 0.573 nan 8.150 nan 0.000 0.444 611 R N -0.804 119.478 120.500 -0.363 0.000 2.096 611 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 611 R C 2.415 178.531 176.300 -0.307 0.000 1.139 611 R CA 1.594 57.522 56.100 -0.287 0.000 0.952 611 R CB -0.448 29.714 30.300 -0.230 0.000 0.854 611 R HN 0.600 nan 8.270 nan 0.000 0.436 612 Q N -0.112 119.421 119.800 -0.444 0.000 2.135 612 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 612 Q C 2.073 177.884 176.000 -0.315 0.000 0.981 612 Q CA 1.457 57.011 55.803 -0.415 0.000 0.856 612 Q CB -0.263 28.137 28.738 -0.563 0.000 0.902 612 Q HN 0.318 nan 8.270 nan 0.000 0.425 613 F N 1.034 120.813 119.950 -0.285 0.000 2.186 613 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 613 F C 2.572 178.178 175.800 -0.323 0.000 1.090 613 F CA 0.670 58.485 58.000 -0.308 0.000 1.307 613 F CB -1.069 37.792 39.000 -0.231 0.000 1.019 613 F HN -0.059 nan 8.300 nan 0.000 0.489 614 S N 0.296 115.935 115.700 -0.102 0.000 2.353 614 S HA -0.203 4.267 4.470 -0.000 0.000 0.222 614 S C 2.105 176.606 174.600 -0.165 0.000 1.035 614 S CA 1.178 59.293 58.200 -0.142 0.000 1.025 614 S CB -0.286 62.831 63.200 -0.139 0.000 0.902 614 S HN 0.201 nan 8.310 nan 0.000 0.440 615 K N 1.331 121.638 120.400 -0.156 0.000 2.107 615 K HA -0.092 4.228 4.320 -0.000 0.000 0.211 615 K C 1.939 178.443 176.600 -0.159 0.000 1.049 615 K CA 1.420 57.625 56.287 -0.137 0.000 0.927 615 K CB -0.718 31.707 32.500 -0.125 0.000 0.714 615 K HN 0.472 nan 8.250 nan 0.000 0.452 616 M N -1.093 118.365 119.600 -0.235 0.000 2.346 616 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 616 M C 1.581 177.640 176.300 -0.402 0.000 1.064 616 M CA 1.565 56.664 55.300 -0.335 0.000 1.083 616 M CB -0.320 31.970 32.600 -0.517 0.000 1.399 616 M HN 0.503 nan 8.290 nan 0.000 0.435 617 G N 0.586 109.173 108.800 -0.355 0.000 2.317 617 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.227 617 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.227 617 G C 0.517 175.371 174.900 -0.077 0.000 1.042 617 G CA 0.235 45.240 45.100 -0.158 0.000 0.623 617 G HN 0.576 nan 8.290 nan 0.000 0.509 618 F N 1.402 121.420 119.950 0.113 0.000 2.676 618 F HA 0.748 5.275 4.527 -0.000 0.000 0.300 618 F C 0.296 176.229 175.800 0.222 0.000 1.160 618 F CA -1.036 57.079 58.000 0.192 0.000 1.401 618 F CB -0.062 39.125 39.000 0.311 0.000 1.037 618 F HN 0.100 nan 8.300 nan 0.000 0.522 619 V N 1.149 121.082 119.914 0.030 0.000 2.495 619 V HA 0.167 4.287 4.120 -0.000 0.000 0.298 619 V C -0.479 175.614 176.094 -0.002 0.000 1.031 619 V CA -0.973 61.356 62.300 0.049 0.000 0.871 619 V CB 1.647 33.436 31.823 -0.057 0.000 0.988 619 V HN 0.079 nan 8.190 nan 0.000 0.432 620 D N 3.882 124.274 120.400 -0.014 0.000 2.342 620 D HA 0.038 4.678 4.640 -0.000 0.000 0.260 620 D C 1.248 177.502 176.300 -0.076 0.000 1.278 620 D CA 0.615 54.577 54.000 -0.064 0.000 0.910 620 D CB 0.280 41.014 40.800 -0.110 0.000 1.079 620 D HN 0.607 nan 8.370 nan 0.000 0.496 621 N N 2.764 121.422 118.700 -0.070 0.000 2.073 621 N HA -0.264 4.476 4.740 -0.000 0.000 0.199 621 N C 0.547 176.017 175.510 -0.068 0.000 1.023 621 N CA 1.435 54.439 53.050 -0.076 0.000 0.880 621 N CB 0.148 38.595 38.487 -0.067 0.000 1.052 621 N HN 0.365 nan 8.380 nan 0.000 0.449 622 K N 0.527 120.897 120.400 -0.050 0.000 2.504 622 K HA 0.169 4.489 4.320 -0.000 0.000 0.199 622 K C 0.071 176.673 176.600 0.003 0.000 1.028 622 K CA 0.350 56.623 56.287 -0.022 0.000 1.164 622 K CB 0.492 32.983 32.500 -0.013 0.000 0.877 622 K HN 0.082 nan 8.250 nan 0.000 0.508 623 R N 1.122 121.601 120.500 -0.035 0.000 2.638 623 R HA 0.322 4.662 4.340 -0.000 0.000 0.261 623 R C -0.960 175.326 176.300 -0.023 0.000 1.515 623 R CA -0.153 55.926 56.100 -0.035 0.000 1.623 623 R CB 0.446 30.567 30.300 -0.297 0.000 1.347 623 R HN 0.113 nan 8.270 nan 0.000 0.705 624 I N 1.126 121.764 120.570 0.113 0.000 2.354 624 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 624 I C 0.237 176.622 176.117 0.446 0.000 0.989 624 I CA -0.665 60.740 61.300 0.175 0.000 1.188 624 I CB 1.812 39.746 38.000 -0.110 0.000 1.342 624 I HN 0.227 nan 8.210 nan 0.000 0.457 625 A N 7.228 130.420 122.820 0.620 0.000 2.350 625 A HA 0.904 5.224 4.320 -0.000 0.000 0.318 625 A C -0.977 176.983 177.584 0.627 0.000 1.132 625 A CA -0.639 51.754 52.037 0.594 0.000 0.811 625 A CB 1.863 21.095 19.000 0.388 0.000 1.313 625 A HN 0.737 nan 8.150 nan 0.000 0.454 626 I N 0.743 121.595 120.570 0.470 0.000 2.722 626 I HA 0.703 4.873 4.170 -0.000 0.000 0.295 626 I C -1.903 174.469 176.117 0.425 0.000 1.161 626 I CA -0.588 60.918 61.300 0.344 0.000 1.032 626 I CB 1.670 39.609 38.000 -0.101 0.000 1.244 626 I HN 0.924 nan 8.210 nan 0.000 0.421 627 W N 7.112 128.548 121.300 0.227 0.000 3.213 627 W HA 0.826 5.486 4.660 -0.000 0.000 0.318 627 W C -1.458 175.218 176.519 0.262 0.000 1.248 627 W CA -0.914 56.575 57.345 0.240 0.000 1.187 627 W CB 1.036 30.688 29.460 0.321 0.000 1.403 627 W HN 0.827 nan 8.180 nan 0.000 0.556 628 G N 1.059 109.774 108.800 -0.142 0.000 2.523 628 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 628 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 628 G C -2.875 172.019 174.900 -0.011 0.000 1.450 628 G CA -0.717 44.167 45.100 -0.361 0.000 0.790 628 G HN 0.649 nan 8.290 nan 0.000 0.496 629 W N 0.852 122.077 121.300 -0.125 0.000 2.915 629 W HA 0.602 5.262 4.660 0.000 0.000 0.337 629 W C 0.693 177.288 176.519 0.128 0.000 1.102 629 W CA 0.319 57.670 57.345 0.009 0.000 1.224 629 W CB 1.584 31.052 29.460 0.014 0.000 1.416 629 W HN 1.259 nan 8.180 nan 0.000 0.503 630 S N 1.970 117.988 115.700 0.531 0.000 4.064 630 S HA -0.429 4.041 4.470 -0.000 0.000 0.625 630 S C 0.826 175.514 174.600 0.147 0.000 2.010 630 S CA 1.480 59.922 58.200 0.404 0.000 4.186 630 S CB -1.566 61.981 63.200 0.579 0.000 0.211 630 S HN 0.771 nan 8.310 nan 0.000 0.605 631 Y N 2.968 123.220 120.300 -0.081 0.000 2.139 631 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 631 Y C 2.495 178.318 175.900 -0.128 0.000 1.179 631 Y CA 2.554 60.545 58.100 -0.182 0.000 1.161 631 Y CB -1.101 37.069 38.460 -0.483 0.000 0.970 631 Y HN 0.612 nan 8.280 nan 0.000 0.511 632 G N -1.153 107.673 108.800 0.044 0.000 2.442 632 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 632 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 632 G C 1.901 176.845 174.900 0.074 0.000 1.141 632 G CA 0.898 46.055 45.100 0.094 0.000 0.763 632 G HN 0.609 nan 8.290 nan 0.000 0.554 633 G N -0.460 108.393 108.800 0.089 0.000 2.403 633 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 633 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 633 G C 1.583 176.508 174.900 0.042 0.000 1.154 633 G CA 0.986 46.121 45.100 0.059 0.000 0.784 633 G HN 0.407 nan 8.290 nan 0.000 0.538 634 Y N 1.595 121.799 120.300 -0.159 0.000 2.097 634 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 634 Y C 2.765 178.560 175.900 -0.176 0.000 1.152 634 Y CA 1.710 59.654 58.100 -0.260 0.000 1.136 634 Y CB -0.580 37.566 38.460 -0.525 0.000 0.975 634 Y HN 0.027 nan 8.280 nan 0.000 0.498 635 V N -0.048 119.733 119.914 -0.221 0.000 2.255 635 V HA -0.372 3.748 4.120 -0.000 0.000 0.247 635 V C 2.329 178.303 176.094 -0.200 0.000 1.051 635 V CA 2.560 64.719 62.300 -0.235 0.000 1.018 635 V CB -1.395 30.442 31.823 0.024 0.000 0.641 635 V HN 0.520 nan 8.190 nan 0.000 0.445 636 T N 0.063 114.559 114.554 -0.097 0.000 2.620 636 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 636 T C 2.097 176.726 174.700 -0.118 0.000 1.044 636 T CA 2.234 64.284 62.100 -0.082 0.000 1.161 636 T CB -0.386 68.514 68.868 0.053 0.000 0.862 636 T HN 0.520 nan 8.240 nan 0.000 0.438 637 S N 0.762 116.420 115.700 -0.070 0.000 2.355 637 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 637 S C 2.182 176.687 174.600 -0.158 0.000 1.031 637 S CA 0.928 59.108 58.200 -0.032 0.000 0.993 637 S CB -0.303 62.926 63.200 0.048 0.000 0.859 637 S HN 0.303 nan 8.310 nan 0.000 0.453 638 M N 1.115 120.533 119.600 -0.303 0.000 2.080 638 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 638 M C 2.246 178.377 176.300 -0.282 0.000 1.068 638 M CA 1.215 56.314 55.300 -0.334 0.000 1.109 638 M CB -1.570 30.719 32.600 -0.519 0.000 1.342 638 M HN 0.174 nan 8.290 nan 0.000 0.405 639 V N 0.780 120.519 119.914 -0.292 0.000 2.233 639 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 639 V C 2.577 178.456 176.094 -0.358 0.000 1.050 639 V CA 1.663 63.782 62.300 -0.302 0.000 1.010 639 V CB -0.764 30.812 31.823 -0.412 0.000 0.637 639 V HN 0.425 nan 8.190 nan 0.000 0.444 640 L N 0.425 121.375 121.223 -0.456 0.000 2.187 640 L HA -0.125 4.215 4.340 -0.000 0.000 0.213 640 L C 2.363 178.697 176.870 -0.893 0.000 1.100 640 L CA 1.576 56.056 54.840 -0.600 0.000 0.765 640 L CB -0.886 40.785 42.059 -0.646 0.000 0.904 640 L HN 0.514 nan 8.230 nan 0.000 0.437 641 G N -1.238 107.071 108.800 -0.819 0.000 2.813 641 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.209 641 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.209 641 G C 1.578 176.307 174.900 -0.285 0.000 1.150 641 G CA 0.663 45.379 45.100 -0.640 0.000 0.785 641 G HN 0.476 nan 8.290 nan 0.000 0.535 642 S N -0.358 115.200 115.700 -0.237 0.000 2.558 642 S HA 0.319 4.789 4.470 -0.000 0.000 0.217 642 S C 1.708 176.254 174.600 -0.090 0.000 0.975 642 S CA 0.772 58.897 58.200 -0.125 0.000 0.912 642 S CB -0.168 62.975 63.200 -0.094 0.000 0.776 642 S HN 1.276 nan 8.310 nan 0.000 0.526 643 G N 2.043 110.773 108.800 -0.116 0.000 2.393 643 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.299 643 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.299 643 G C 0.564 175.448 174.900 -0.026 0.000 0.990 643 G CA 0.564 45.625 45.100 -0.065 0.000 1.118 643 G HN 1.258 nan 8.290 nan 0.000 0.513 644 S N -0.810 114.888 115.700 -0.003 0.000 2.575 644 S HA 0.394 4.863 4.470 -0.000 0.000 0.215 644 S C 2.238 176.847 174.600 0.014 0.000 0.966 644 S CA 0.963 59.172 58.200 0.014 0.000 0.911 644 S CB 0.330 63.559 63.200 0.047 0.000 0.780 644 S HN 2.286 nan 8.310 nan 0.000 0.514 645 G N 0.920 109.734 108.800 0.023 0.000 2.200 645 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 645 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 645 G C 0.767 175.663 174.900 -0.006 0.000 0.986 645 G CA 0.609 45.718 45.100 0.016 0.000 0.677 645 G HN 0.647 nan 8.290 nan 0.000 0.532 646 V N -1.023 118.879 119.914 -0.021 0.000 2.719 646 V HA 0.233 4.353 4.120 -0.000 0.000 0.252 646 V C 1.133 177.010 176.094 -0.360 0.000 1.065 646 V CA 1.378 63.540 62.300 -0.230 0.000 1.086 646 V CB -0.308 31.289 31.823 -0.377 0.000 0.700 646 V HN 0.331 nan 8.190 nan 0.000 0.467 647 F N -0.453 119.510 119.950 0.021 0.000 2.443 647 F HA 0.399 4.926 4.527 -0.000 0.000 0.335 647 F C 1.058 176.900 175.800 0.071 0.000 1.104 647 F CA -0.560 57.479 58.000 0.066 0.000 1.013 647 F CB 1.567 40.607 39.000 0.067 0.000 1.136 647 F HN -0.294 nan 8.300 nan 0.000 0.470 648 K N 1.449 122.013 120.400 0.272 0.000 2.186 648 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 648 K C -0.331 176.401 176.600 0.220 0.000 1.052 648 K CA 0.853 57.263 56.287 0.205 0.000 0.965 648 K CB 0.234 32.855 32.500 0.203 0.000 0.746 648 K HN 0.795 nan 8.250 nan 0.000 0.457 649 c N -3.297 115.477 118.600 0.290 0.000 3.253 649 c HA 0.788 5.358 4.570 -0.000 0.000 0.342 649 c C -0.336 173.982 174.090 0.380 0.000 1.306 649 c CA -0.764 55.756 56.329 0.318 0.000 1.207 649 c CB 0.976 43.623 42.510 0.228 0.000 1.479 649 c HN 0.309 nan 8.230 nan 0.000 0.469 650 G N 0.132 109.210 108.800 0.464 0.000 2.684 650 G HA2 0.794 4.754 3.960 -0.000 0.000 0.290 650 G HA3 0.794 4.754 3.960 -0.000 0.000 0.290 650 G C -1.857 173.268 174.900 0.374 0.000 1.425 650 G CA -0.835 44.518 45.100 0.422 0.000 0.822 650 G HN 1.086 nan 8.290 nan 0.000 0.482 651 I N 0.638 121.391 120.570 0.306 0.000 2.466 651 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 651 I C 0.124 176.350 176.117 0.182 0.000 1.026 651 I CA -0.997 60.358 61.300 0.092 0.000 1.078 651 I CB 2.184 40.226 38.000 0.070 0.000 1.249 651 I HN 0.600 nan 8.210 nan 0.000 0.429 652 A N 6.656 129.487 122.820 0.018 0.000 2.258 652 A HA 0.724 5.044 4.320 -0.000 0.000 0.316 652 A C -0.536 176.971 177.584 -0.130 0.000 1.279 652 A CA -0.491 51.566 52.037 0.033 0.000 0.876 652 A CB 0.869 19.943 19.000 0.123 0.000 1.170 652 A HN 0.467 nan 8.150 nan 0.000 0.520 653 V N 2.266 122.064 119.914 -0.193 0.000 2.370 653 V HA 0.539 4.659 4.120 -0.000 0.000 0.279 653 V C 1.033 176.732 176.094 -0.659 0.000 1.029 653 V CA 0.286 62.238 62.300 -0.579 0.000 0.870 653 V CB 0.630 31.801 31.823 -1.087 0.000 0.984 653 V HN 1.996 nan 8.190 nan 0.000 0.451 654 A N 5.706 128.120 122.820 -0.676 0.000 2.415 654 A HA -0.110 4.210 4.320 -0.000 0.000 0.292 654 A C -1.702 175.745 177.584 -0.229 0.000 1.452 654 A CA 0.330 51.913 52.037 -0.756 0.000 0.750 654 A CB -1.574 17.033 19.000 -0.655 0.000 1.099 654 A HN 0.641 nan 8.150 nan 0.000 0.391 655 P HA 0.393 nan 4.420 nan 0.000 0.277 655 P C 0.165 177.429 177.300 -0.060 0.000 1.240 655 P CA -0.179 62.901 63.100 -0.033 0.000 0.798 655 P CB 1.136 32.839 31.700 0.004 0.000 0.979 656 V N 2.320 122.103 119.914 -0.219 0.000 2.614 656 V HA 0.060 4.180 4.120 -0.000 0.000 0.291 656 V C 1.768 177.651 176.094 -0.350 0.000 1.049 656 V CA 0.897 62.923 62.300 -0.455 0.000 1.038 656 V CB 0.576 31.746 31.823 -1.088 0.000 0.980 656 V HN 0.814 nan 8.190 nan 0.000 0.481 657 S N 4.168 119.713 115.700 -0.259 0.000 2.599 657 S HA 0.228 4.698 4.470 -0.000 0.000 0.236 657 S C 0.533 174.979 174.600 -0.257 0.000 1.077 657 S CA -0.377 57.739 58.200 -0.139 0.000 0.906 657 S CB 0.311 63.496 63.200 -0.025 0.000 0.804 657 S HN 0.828 nan 8.310 nan 0.000 0.497 658 R N -1.277 118.977 120.500 -0.409 0.000 2.626 658 R HA 0.531 4.871 4.340 -0.000 0.000 0.274 658 R C -0.804 175.162 176.300 -0.556 0.000 1.031 658 R CA -0.924 54.851 56.100 -0.542 0.000 0.898 658 R CB 0.067 30.077 30.300 -0.484 0.000 1.222 658 R HN 0.148 nan 8.270 nan 0.000 0.455 659 W N 1.160 122.326 121.300 -0.223 0.000 2.392 659 W HA -0.039 4.621 4.660 0.000 0.000 0.279 659 W C 1.126 177.719 176.519 0.124 0.000 1.225 659 W CA 0.828 58.125 57.345 -0.080 0.000 1.233 659 W CB 0.201 29.537 29.460 -0.206 0.000 1.122 659 W HN 0.754 nan 8.180 nan 0.000 0.561 660 E N -0.943 119.394 120.200 0.228 0.000 2.333 660 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 660 E C 1.360 178.069 176.600 0.181 0.000 1.007 660 E CA 1.015 57.495 56.400 0.132 0.000 0.845 660 E CB -0.248 29.428 29.700 -0.040 0.000 0.766 660 E HN 0.389 nan 8.360 nan 0.000 0.507 661 Y N -1.510 118.884 120.300 0.158 0.000 2.448 661 Y HA 0.034 4.584 4.550 -0.000 0.000 0.289 661 Y C 0.918 176.919 175.900 0.169 0.000 1.114 661 Y CA -0.237 57.927 58.100 0.106 0.000 1.235 661 Y CB -0.603 37.863 38.460 0.010 0.000 1.045 661 Y HN 0.025 nan 8.280 nan 0.000 0.554 662 Y N 2.383 122.837 120.300 0.256 0.000 2.281 662 Y HA 0.214 4.764 4.550 -0.000 0.000 0.337 662 Y C 0.429 176.522 175.900 0.320 0.000 1.304 662 Y CA -1.748 56.500 58.100 0.247 0.000 1.465 662 Y CB 0.176 38.824 38.460 0.313 0.000 1.350 662 Y HN 0.232 nan 8.280 nan 0.000 0.575 663 D N -0.529 119.589 120.400 -0.470 0.000 2.382 663 D HA 0.102 4.742 4.640 -0.000 0.000 0.240 663 D C 0.959 177.217 176.300 -0.070 0.000 1.146 663 D CA 0.338 54.126 54.000 -0.354 0.000 0.897 663 D CB 0.851 41.271 40.800 -0.633 0.000 1.197 663 D HN 0.473 nan 8.370 nan 0.000 0.432 664 S N 1.140 116.816 115.700 -0.041 0.000 2.356 664 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 664 S C 1.920 176.529 174.600 0.016 0.000 1.032 664 S CA 1.099 59.326 58.200 0.046 0.000 1.005 664 S CB -0.976 62.258 63.200 0.056 0.000 0.867 664 S HN 0.420 nan 8.310 nan 0.000 0.449 665 V N 0.764 120.623 119.914 -0.091 0.000 2.287 665 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 665 V C 2.285 178.278 176.094 -0.168 0.000 1.053 665 V CA 2.276 64.433 62.300 -0.239 0.000 1.027 665 V CB -1.014 30.521 31.823 -0.480 0.000 0.646 665 V HN 0.596 nan 8.190 nan 0.000 0.447 666 Y N 1.207 121.426 120.300 -0.135 0.000 2.114 666 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 666 Y C 2.798 178.679 175.900 -0.032 0.000 1.119 666 Y CA 2.345 60.444 58.100 -0.002 0.000 1.108 666 Y CB -0.730 37.925 38.460 0.325 0.000 0.995 666 Y HN 0.197 nan 8.280 nan 0.000 0.491 667 T N 0.445 115.235 114.554 0.394 0.000 2.665 667 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 667 T C 1.564 176.242 174.700 -0.037 0.000 1.035 667 T CA 2.149 64.365 62.100 0.193 0.000 1.151 667 T CB -0.349 68.741 68.868 0.370 0.000 0.862 667 T HN 0.454 nan 8.240 nan 0.000 0.438 668 E N 0.253 120.449 120.200 -0.007 0.000 2.208 668 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 668 E C 2.311 178.793 176.600 -0.196 0.000 0.988 668 E CA 0.303 56.693 56.400 -0.016 0.000 0.828 668 E CB -0.108 29.626 29.700 0.056 0.000 0.763 668 E HN 0.353 nan 8.360 nan 0.000 0.478 669 R N 0.158 120.393 120.500 -0.443 0.000 2.170 669 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 669 R C 1.026 176.750 176.300 -0.960 0.000 1.145 669 R CA 1.573 57.207 56.100 -0.777 0.000 0.984 669 R CB 0.010 29.583 30.300 -1.212 0.000 0.869 669 R HN 0.246 nan 8.270 nan 0.000 0.455 670 Y N -2.291 117.727 120.300 -0.470 0.000 2.535 670 Y HA 0.246 4.796 4.550 -0.000 0.000 0.264 670 Y C 1.793 177.541 175.900 -0.254 0.000 1.087 670 Y CA -0.064 57.762 58.100 -0.457 0.000 1.285 670 Y CB 0.372 38.465 38.460 -0.612 0.000 1.200 670 Y HN -0.060 nan 8.280 nan 0.000 0.514 671 M N -0.382 119.139 119.600 -0.131 0.000 2.367 671 M HA 0.355 4.835 4.480 -0.000 0.000 0.256 671 M C 1.138 177.480 176.300 0.070 0.000 1.091 671 M CA 0.886 56.113 55.300 -0.122 0.000 1.049 671 M CB -0.252 32.069 32.600 -0.466 0.000 1.406 671 M HN 0.374 nan 8.290 nan 0.000 0.498 672 G N 1.895 110.740 108.800 0.074 0.000 2.562 672 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.250 672 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.250 672 G C -0.715 174.318 174.900 0.221 0.000 1.269 672 G CA -0.773 44.400 45.100 0.121 0.000 0.919 672 G HN 0.229 nan 8.290 nan 0.000 0.574 673 L N 2.578 123.897 121.223 0.160 0.000 2.334 673 L HA 0.506 4.846 4.340 -0.000 0.000 0.277 673 L C -1.286 175.571 176.870 -0.023 0.000 1.075 673 L CA -2.013 52.870 54.840 0.072 0.000 0.804 673 L CB 1.118 43.192 42.059 0.025 0.000 1.174 673 L HN 0.424 nan 8.230 nan 0.000 0.438 674 P HA 0.073 nan 4.420 nan 0.000 0.228 674 P C -0.384 176.764 177.300 -0.253 0.000 1.748 674 P CA -0.131 62.562 63.100 -0.679 0.000 0.909 674 P CB -0.500 30.512 31.700 -1.147 0.000 1.882 675 T N -3.546 110.948 114.554 -0.101 0.000 2.940 675 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 675 T C -2.149 172.548 174.700 -0.005 0.000 1.033 675 T CA -2.464 59.608 62.100 -0.046 0.000 1.033 675 T CB 1.812 70.664 68.868 -0.026 0.000 1.079 675 T HN -0.290 nan 8.240 nan 0.000 0.496 676 P HA -0.039 nan 4.420 nan 0.000 0.218 676 P C 0.924 178.238 177.300 0.023 0.000 1.148 676 P CA 0.991 64.101 63.100 0.017 0.000 0.822 676 P CB 0.030 31.736 31.700 0.011 0.000 0.784 677 E N -1.230 118.980 120.200 0.017 0.000 2.347 677 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 677 E C 1.360 177.977 176.600 0.028 0.000 1.008 677 E CA 0.840 57.251 56.400 0.018 0.000 0.852 677 E CB -0.389 29.317 29.700 0.011 0.000 0.783 677 E HN 0.326 nan 8.360 nan 0.000 0.505 678 D N -0.649 119.774 120.400 0.039 0.000 3.168 678 D HA 0.111 4.751 4.640 -0.000 0.000 0.219 678 D C 0.153 176.509 176.300 0.093 0.000 1.310 678 D CA -0.018 54.018 54.000 0.059 0.000 1.348 678 D CB -0.065 40.771 40.800 0.060 0.000 0.925 678 D HN 0.006 nan 8.370 nan 0.000 0.185 679 N N 0.052 118.838 118.700 0.143 0.000 2.299 679 N HA 0.052 4.792 4.740 -0.000 0.000 0.246 679 N C 1.236 176.939 175.510 0.321 0.000 1.254 679 N CA -0.117 53.069 53.050 0.227 0.000 0.879 679 N CB 0.767 39.412 38.487 0.265 0.000 1.214 679 N HN -0.003 nan 8.380 nan 0.000 0.510 680 L N 1.094 122.422 121.223 0.175 0.000 2.081 680 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 680 L C 1.364 178.343 176.870 0.181 0.000 1.080 680 L CA 1.996 56.910 54.840 0.124 0.000 0.754 680 L CB -0.469 41.603 42.059 0.023 0.000 0.893 680 L HN 0.178 nan 8.230 nan 0.000 0.433 681 D N -1.459 119.035 120.400 0.156 0.000 2.104 681 D HA -0.241 4.399 4.640 -0.000 0.000 0.194 681 D C 2.115 178.524 176.300 0.182 0.000 0.994 681 D CA 1.731 55.814 54.000 0.139 0.000 0.830 681 D CB -0.220 40.648 40.800 0.113 0.000 0.959 681 D HN 0.565 nan 8.370 nan 0.000 0.452 682 H N -0.795 118.343 119.070 0.114 0.000 2.462 682 H HA -0.072 4.484 4.556 -0.000 0.000 0.292 682 H C 1.654 177.043 175.328 0.102 0.000 1.049 682 H CA 1.192 57.286 56.048 0.076 0.000 1.334 682 H CB -0.323 29.453 29.762 0.023 0.000 1.404 682 H HN 0.161 nan 8.280 nan 0.000 0.544 683 Y N 0.434 120.714 120.300 -0.033 0.000 2.081 683 Y HA -0.226 4.324 4.550 -0.000 0.000 0.280 683 Y C 2.539 178.393 175.900 -0.078 0.000 1.163 683 Y CA 1.778 59.850 58.100 -0.047 0.000 1.135 683 Y CB 0.017 38.485 38.460 0.014 0.000 0.970 683 Y HN 0.137 nan 8.280 nan 0.000 0.498 684 R N -0.320 120.254 120.500 0.123 0.000 2.115 684 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 684 R C 1.506 177.811 176.300 0.009 0.000 1.100 684 R CA 0.757 56.886 56.100 0.049 0.000 0.980 684 R CB -0.796 29.534 30.300 0.051 0.000 0.875 684 R HN 0.376 nan 8.270 nan 0.000 0.445 685 N N 1.082 119.783 118.700 0.002 0.000 2.521 685 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 685 N C 0.162 175.650 175.510 -0.037 0.000 1.146 685 N CA 0.587 53.645 53.050 0.014 0.000 0.893 685 N CB 0.345 38.896 38.487 0.107 0.000 0.975 685 N HN 0.159 nan 8.380 nan 0.000 0.451 686 S N -1.357 114.274 115.700 -0.116 0.000 2.843 686 S HA 0.083 4.553 4.470 -0.000 0.000 0.249 686 S C 0.388 174.992 174.600 0.007 0.000 1.047 686 S CA -0.730 57.420 58.200 -0.084 0.000 1.042 686 S CB -0.226 62.817 63.200 -0.261 0.000 0.936 686 S HN 0.145 nan 8.310 nan 0.000 0.531 687 T N -1.190 113.347 114.554 -0.028 0.000 2.882 687 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 687 T C 1.344 176.030 174.700 -0.023 0.000 1.014 687 T CA -0.472 61.601 62.100 -0.045 0.000 1.049 687 T CB 1.202 70.026 68.868 -0.074 0.000 1.001 687 T HN -0.022 nan 8.240 nan 0.000 0.525 688 V N 1.881 121.777 119.914 -0.029 0.000 2.453 688 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 688 V C 2.718 178.778 176.094 -0.056 0.000 1.048 688 V CA 1.546 63.820 62.300 -0.043 0.000 1.049 688 V CB -0.827 30.963 31.823 -0.054 0.000 0.672 688 V HN 0.863 nan 8.190 nan 0.000 0.457 689 M N 1.128 120.683 119.600 -0.076 0.000 2.213 689 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 689 M C 2.315 178.583 176.300 -0.053 0.000 1.062 689 M CA 2.137 57.383 55.300 -0.091 0.000 1.105 689 M CB -1.989 30.566 32.600 -0.075 0.000 1.385 689 M HN 0.542 nan 8.290 nan 0.000 0.417 690 S N 0.858 116.540 115.700 -0.029 0.000 2.447 690 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 690 S C 1.793 176.398 174.600 0.008 0.000 1.006 690 S CA 0.702 58.895 58.200 -0.011 0.000 0.957 690 S CB -0.562 62.634 63.200 -0.008 0.000 0.773 690 S HN 0.574 nan 8.310 nan 0.000 0.507 691 R N 0.878 121.394 120.500 0.027 0.000 2.334 691 R HA 0.444 4.784 4.340 -0.000 0.000 0.220 691 R C 2.176 178.587 176.300 0.185 0.000 0.917 691 R CA 0.443 56.590 56.100 0.079 0.000 1.073 691 R CB -0.378 29.963 30.300 0.068 0.000 1.056 691 R HN 0.480 nan 8.270 nan 0.000 0.506 692 A N 1.504 124.371 122.820 0.079 0.000 1.892 692 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 692 A C 2.025 179.701 177.584 0.153 0.000 1.188 692 A CA 1.964 54.010 52.037 0.014 0.000 0.631 692 A CB -0.371 18.564 19.000 -0.107 0.000 0.822 692 A HN 0.314 nan 8.150 nan 0.000 0.447 693 E N 0.550 120.806 120.200 0.094 0.000 2.136 693 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 693 E C 1.502 178.167 176.600 0.109 0.000 1.019 693 E CA 2.148 58.599 56.400 0.084 0.000 0.819 693 E CB -0.552 29.178 29.700 0.049 0.000 0.739 693 E HN 0.804 nan 8.360 nan 0.000 0.458 694 N N -1.351 117.414 118.700 0.108 0.000 2.521 694 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 694 N C 0.660 176.158 175.510 -0.020 0.000 1.146 694 N CA 0.104 53.165 53.050 0.018 0.000 0.893 694 N CB -0.058 38.391 38.487 -0.062 0.000 0.975 694 N HN 0.151 nan 8.380 nan 0.000 0.451 695 F N 1.152 121.063 119.950 -0.066 0.000 2.699 695 F HA 0.060 4.587 4.527 -0.000 0.000 0.298 695 F C 1.912 177.717 175.800 0.009 0.000 1.154 695 F CA 0.513 58.470 58.000 -0.072 0.000 1.457 695 F CB 0.117 39.030 39.000 -0.145 0.000 1.106 695 F HN -0.077 nan 8.300 nan 0.000 0.585 696 K N 0.182 120.679 120.400 0.162 0.000 2.442 696 K HA -0.178 4.142 4.320 -0.000 0.000 0.198 696 K C 1.157 177.813 176.600 0.093 0.000 1.044 696 K CA 1.049 57.410 56.287 0.125 0.000 0.948 696 K CB -0.103 32.452 32.500 0.091 0.000 0.762 696 K HN 0.436 nan 8.250 nan 0.000 0.472 697 Q N -0.062 119.774 119.800 0.060 0.000 2.219 697 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 697 Q C -0.338 175.697 176.000 0.059 0.000 0.854 697 Q CA -0.257 55.574 55.803 0.046 0.000 0.960 697 Q CB 1.032 29.780 28.738 0.017 0.000 1.116 697 Q HN 0.054 nan 8.270 nan 0.000 0.500 698 V N -3.239 116.726 119.914 0.085 0.000 3.049 698 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 698 V C -1.129 175.102 176.094 0.228 0.000 1.148 698 V CA -1.336 61.039 62.300 0.125 0.000 0.990 698 V CB 2.306 34.161 31.823 0.054 0.000 1.039 698 V HN 0.009 nan 8.190 nan 0.000 0.430 699 E N 2.109 122.469 120.200 0.267 0.000 2.259 699 E HA 0.462 4.812 4.350 -0.000 0.000 0.281 699 E C -1.676 175.284 176.600 0.599 0.000 1.027 699 E CA -0.277 56.354 56.400 0.385 0.000 0.838 699 E CB 1.426 31.294 29.700 0.280 0.000 1.066 699 E HN 0.684 nan 8.360 nan 0.000 0.401 700 Y N 3.037 123.592 120.300 0.425 0.000 2.462 700 Y HA 0.447 4.997 4.550 -0.000 0.000 0.346 700 Y C -1.509 174.467 175.900 0.126 0.000 0.976 700 Y CA -1.299 56.989 58.100 0.314 0.000 1.044 700 Y CB 1.064 39.730 38.460 0.342 0.000 1.230 700 Y HN 0.429 nan 8.280 nan 0.000 0.455 701 L N 7.540 128.418 121.223 -0.576 0.000 2.343 701 L HA 0.484 4.824 4.340 -0.000 0.000 0.278 701 L C -1.615 174.775 176.870 -0.800 0.000 0.996 701 L CA -0.762 53.633 54.840 -0.741 0.000 0.831 701 L CB 1.234 42.610 42.059 -1.138 0.000 1.232 701 L HN 0.635 nan 8.230 nan 0.000 0.413 702 L N 6.257 127.127 121.223 -0.588 0.000 2.272 702 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 702 L C -0.762 175.990 176.870 -0.197 0.000 1.032 702 L CA -0.460 54.119 54.840 -0.435 0.000 0.810 702 L CB 1.505 43.381 42.059 -0.306 0.000 1.205 702 L HN 0.572 nan 8.230 nan 0.000 0.422 703 I N 3.334 123.798 120.570 -0.177 0.000 2.545 703 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 703 I C -1.076 175.020 176.117 -0.034 0.000 1.040 703 I CA -0.753 60.495 61.300 -0.085 0.000 1.068 703 I CB 2.209 40.125 38.000 -0.140 0.000 1.251 703 I HN 0.609 nan 8.210 nan 0.000 0.424 704 H N 2.465 121.571 119.070 0.061 0.000 3.129 704 H HA 0.436 4.992 4.556 -0.000 0.000 0.342 704 H C -0.345 175.200 175.328 0.361 0.000 1.092 704 H CA -0.558 55.564 56.048 0.124 0.000 1.310 704 H CB 1.930 31.697 29.762 0.008 0.000 1.932 704 H HN 0.781 nan 8.280 nan 0.000 0.507 705 G N 1.409 110.530 108.800 0.536 0.000 2.403 705 G HA2 0.189 4.149 3.960 -0.000 0.000 0.259 705 G HA3 0.189 4.149 3.960 -0.000 0.000 0.259 705 G C 1.199 176.387 174.900 0.480 0.000 1.244 705 G CA 0.179 45.567 45.100 0.480 0.000 0.849 705 G HN 0.758 nan 8.290 nan 0.000 0.532 706 T N -0.392 114.305 114.554 0.238 0.000 2.951 706 T HA 0.049 4.399 4.350 -0.000 0.000 0.268 706 T C 1.795 176.450 174.700 -0.076 0.000 1.073 706 T CA 1.328 63.375 62.100 -0.089 0.000 1.134 706 T CB 0.094 68.832 68.868 -0.217 0.000 0.884 706 T HN 0.690 nan 8.240 nan 0.000 0.479 707 A N 1.143 123.994 122.820 0.052 0.000 2.640 707 A HA 0.286 4.606 4.320 -0.000 0.000 0.282 707 A C 0.436 177.983 177.584 -0.062 0.000 1.357 707 A CA -0.483 51.564 52.037 0.017 0.000 0.946 707 A CB -0.439 18.829 19.000 0.446 0.000 1.065 707 A HN 0.405 nan 8.150 nan 0.000 0.541 708 D N 1.471 121.845 120.400 -0.043 0.000 2.344 708 D HA -0.002 4.638 4.640 -0.000 0.000 0.253 708 D C 0.334 176.607 176.300 -0.046 0.000 1.255 708 D CA 0.109 54.191 54.000 0.138 0.000 0.894 708 D CB 0.663 41.708 40.800 0.410 0.000 1.067 708 D HN 0.582 nan 8.370 nan 0.000 0.492 709 D N 2.190 122.613 120.400 0.037 0.000 2.323 709 D HA -0.117 4.523 4.640 -0.000 0.000 0.209 709 D C 1.052 177.348 176.300 -0.006 0.000 0.973 709 D CA 0.184 54.156 54.000 -0.048 0.000 0.874 709 D CB 0.307 41.025 40.800 -0.138 0.000 0.930 709 D HN 0.438 nan 8.370 nan 0.000 0.521 710 N N 0.251 119.053 118.700 0.170 0.000 2.272 710 N HA -0.043 4.697 4.740 -0.000 0.000 0.195 710 N C -0.108 175.412 175.510 0.017 0.000 1.048 710 N CA 0.164 53.345 53.050 0.219 0.000 0.912 710 N CB 0.623 39.244 38.487 0.224 0.000 1.096 710 N HN -0.180 nan 8.380 nan 0.000 0.471 711 V N 2.622 122.579 119.914 0.071 0.000 2.338 711 V HA 0.135 4.255 4.120 -0.000 0.000 0.255 711 V C -0.719 175.493 176.094 0.197 0.000 1.082 711 V CA -0.135 62.228 62.300 0.105 0.000 0.951 711 V CB -0.467 31.445 31.823 0.149 0.000 1.102 711 V HN 0.338 nan 8.190 nan 0.000 0.489 712 H N 3.257 122.342 119.070 0.025 0.000 2.948 712 H HA -0.020 4.536 4.556 -0.000 0.000 0.351 712 H C 0.821 176.041 175.328 -0.180 0.000 1.079 712 H CA -0.075 55.905 56.048 -0.114 0.000 1.407 712 H CB 0.745 30.342 29.762 -0.275 0.000 1.373 712 H HN 0.616 nan 8.280 nan 0.000 0.605 713 F N 1.977 121.743 119.950 -0.306 0.000 2.154 713 F HA -0.320 4.207 4.527 -0.000 0.000 0.301 713 F C 2.633 178.127 175.800 -0.510 0.000 1.087 713 F CA 1.878 59.445 58.000 -0.722 0.000 1.274 713 F CB -0.216 38.546 39.000 -0.398 0.000 1.009 713 F HN 0.689 nan 8.300 nan 0.000 0.485 714 Q N 0.218 119.896 119.800 -0.204 0.000 2.165 714 Q HA -0.378 3.962 4.340 -0.000 0.000 0.215 714 Q C 2.118 177.859 176.000 -0.431 0.000 1.010 714 Q CA 2.743 58.359 55.803 -0.313 0.000 0.896 714 Q CB -0.450 28.066 28.738 -0.370 0.000 0.956 714 Q HN 0.620 nan 8.270 nan 0.000 0.413 715 Q N -0.291 119.290 119.800 -0.365 0.000 2.030 715 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 715 Q C 2.368 178.237 176.000 -0.218 0.000 0.986 715 Q CA 1.866 57.565 55.803 -0.175 0.000 0.843 715 Q CB -0.294 28.439 28.738 -0.008 0.000 0.904 715 Q HN 0.365 nan 8.270 nan 0.000 0.420 716 S N 0.954 116.429 115.700 -0.375 0.000 2.382 716 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 716 S C 2.092 176.432 174.600 -0.434 0.000 1.027 716 S CA 0.976 58.948 58.200 -0.381 0.000 0.991 716 S CB -0.280 62.664 63.200 -0.427 0.000 0.823 716 S HN 0.505 nan 8.310 nan 0.000 0.469 717 A N 1.266 123.733 122.820 -0.588 0.000 1.940 717 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 717 A C 2.135 179.610 177.584 -0.182 0.000 1.176 717 A CA 1.203 53.039 52.037 -0.335 0.000 0.631 717 A CB -0.463 18.405 19.000 -0.220 0.000 0.814 717 A HN 0.348 nan 8.150 nan 0.000 0.446 718 Q N -0.352 119.344 119.800 -0.173 0.000 2.167 718 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 718 Q C 2.103 178.043 176.000 -0.099 0.000 0.970 718 Q CA 1.072 56.827 55.803 -0.080 0.000 0.855 718 Q CB -0.346 28.412 28.738 0.033 0.000 0.911 718 Q HN 0.796 nan 8.270 nan 0.000 0.438 719 I N 0.767 121.247 120.570 -0.150 0.000 2.163 719 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 719 I C 2.519 178.467 176.117 -0.280 0.000 1.081 719 I CA 1.327 62.495 61.300 -0.221 0.000 1.353 719 I CB -0.606 37.263 38.000 -0.218 0.000 1.054 719 I HN 0.188 nan 8.210 nan 0.000 0.407 720 S N 1.320 116.878 115.700 -0.237 0.000 2.359 720 S HA -0.337 4.133 4.470 -0.000 0.000 0.223 720 S C 2.046 176.625 174.600 -0.035 0.000 1.039 720 S CA 1.836 59.954 58.200 -0.137 0.000 1.042 720 S CB -0.665 62.597 63.200 0.104 0.000 0.915 720 S HN 0.344 nan 8.310 nan 0.000 0.439 721 K N 1.777 122.157 120.400 -0.032 0.000 2.059 721 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 721 K C 2.367 178.948 176.600 -0.031 0.000 1.050 721 K CA 1.503 57.784 56.287 -0.011 0.000 0.927 721 K CB -0.822 31.666 32.500 -0.020 0.000 0.714 721 K HN 0.490 nan 8.250 nan 0.000 0.447 722 A N 0.937 123.707 122.820 -0.083 0.000 1.883 722 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 722 A C 2.139 179.658 177.584 -0.108 0.000 1.186 722 A CA 1.649 53.628 52.037 -0.096 0.000 0.624 722 A CB -0.699 18.220 19.000 -0.136 0.000 0.822 722 A HN 0.343 nan 8.150 nan 0.000 0.444 723 L N -0.736 120.376 121.223 -0.184 0.000 2.093 723 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 723 L C 2.505 179.409 176.870 0.057 0.000 1.085 723 L CA 0.850 55.602 54.840 -0.147 0.000 0.755 723 L CB -0.610 41.215 42.059 -0.390 0.000 0.904 723 L HN 0.237 nan 8.230 nan 0.000 0.435 724 V N -0.046 119.937 119.914 0.114 0.000 2.295 724 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 724 V C 2.087 178.223 176.094 0.070 0.000 1.049 724 V CA 1.958 64.339 62.300 0.135 0.000 1.024 724 V CB -0.458 31.438 31.823 0.122 0.000 0.648 724 V HN 0.434 nan 8.190 nan 0.000 0.447 725 D N -0.678 119.744 120.400 0.037 0.000 2.218 725 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 725 D C 1.742 178.057 176.300 0.024 0.000 0.976 725 D CA 1.139 55.153 54.000 0.023 0.000 0.853 725 D CB 0.024 40.829 40.800 0.008 0.000 0.939 725 D HN 0.369 nan 8.370 nan 0.000 0.481 726 V N -0.586 119.343 119.914 0.025 0.000 3.621 726 V HA 0.291 4.411 4.120 -0.000 0.000 0.285 726 V C 0.783 176.906 176.094 0.049 0.000 1.346 726 V CA 0.816 63.134 62.300 0.030 0.000 1.104 726 V CB -0.051 31.784 31.823 0.020 0.000 0.913 726 V HN 0.339 nan 8.190 nan 0.000 0.432 727 G N 0.935 109.772 108.800 0.062 0.000 2.289 727 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 727 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 727 G C -0.212 174.749 174.900 0.101 0.000 1.089 727 G CA 0.289 45.434 45.100 0.075 0.000 0.939 727 G HN 0.636 nan 8.290 nan 0.000 0.499 728 V N 0.326 120.325 119.914 0.142 0.000 2.417 728 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 728 V C 0.360 176.632 176.094 0.296 0.000 1.024 728 V CA -0.807 61.609 62.300 0.193 0.000 0.861 728 V CB 1.836 33.770 31.823 0.185 0.000 0.985 728 V HN 0.446 nan 8.190 nan 0.000 0.436 729 D N 3.581 124.123 120.400 0.236 0.000 2.341 729 D HA 0.571 5.211 4.640 -0.000 0.000 0.245 729 D C -0.511 176.015 176.300 0.376 0.000 1.106 729 D CA 0.400 54.521 54.000 0.202 0.000 0.905 729 D CB 0.704 41.570 40.800 0.110 0.000 1.202 729 D HN 0.378 nan 8.370 nan 0.000 0.426 730 F N -0.492 119.533 119.950 0.126 0.000 2.877 730 F HA 0.490 5.017 4.527 0.000 0.000 0.319 730 F C -1.474 174.381 175.800 0.092 0.000 1.174 730 F CA -1.135 56.962 58.000 0.161 0.000 0.903 730 F CB 0.674 39.804 39.000 0.217 0.000 1.357 730 F HN 0.048 nan 8.300 nan 0.000 0.472 731 Q N 1.177 121.092 119.800 0.191 0.000 2.257 731 Q HA 0.843 5.183 4.340 -0.000 0.000 0.262 731 Q C -0.923 175.112 176.000 0.059 0.000 0.997 731 Q CA -0.792 55.023 55.803 0.020 0.000 0.873 731 Q CB 2.063 30.819 28.738 0.030 0.000 1.312 731 Q HN 1.064 nan 8.270 nan 0.000 0.450 732 A N 1.436 124.248 122.820 -0.013 0.000 2.556 732 A HA 0.861 5.181 4.320 -0.000 0.000 0.294 732 A C -1.413 176.122 177.584 -0.081 0.000 1.091 732 A CA -0.542 51.512 52.037 0.028 0.000 0.704 732 A CB 1.911 21.002 19.000 0.153 0.000 1.300 732 A HN 0.598 nan 8.150 nan 0.000 0.406 733 M N 1.487 121.028 119.600 -0.097 0.000 2.274 733 M HA 0.544 5.024 4.480 -0.000 0.000 0.272 733 M C -1.820 174.366 176.300 -0.189 0.000 1.053 733 M CA -0.475 54.624 55.300 -0.334 0.000 0.978 733 M CB 1.072 33.415 32.600 -0.428 0.000 1.836 733 M HN 0.928 nan 8.290 nan 0.000 0.484 734 W N 4.147 125.292 121.300 -0.258 0.000 2.436 734 W HA 0.789 5.449 4.660 -0.000 0.000 0.347 734 W C -1.888 174.363 176.519 -0.448 0.000 1.136 734 W CA -0.744 56.524 57.345 -0.128 0.000 1.286 734 W CB 0.374 29.821 29.460 -0.022 0.000 1.253 734 W HN 0.596 nan 8.180 nan 0.000 0.617 735 Y N 1.775 122.229 120.300 0.257 0.000 2.376 735 Y HA 0.291 4.841 4.550 0.000 0.000 0.326 735 Y C 0.363 176.381 175.900 0.196 0.000 0.970 735 Y CA -1.234 56.932 58.100 0.109 0.000 1.248 735 Y CB 1.442 39.927 38.460 0.043 0.000 1.117 735 Y HN 0.413 nan 8.280 nan 0.000 0.476 736 T N 4.707 119.440 114.554 0.297 0.000 2.792 736 T HA -0.019 4.331 4.350 -0.000 0.000 0.286 736 T C 0.166 174.937 174.700 0.118 0.000 0.970 736 T CA 0.714 62.933 62.100 0.199 0.000 1.187 736 T CB -0.168 68.763 68.868 0.106 0.000 0.915 736 T HN 0.717 nan 8.240 nan 0.000 0.529 737 D N 0.669 121.100 120.400 0.051 0.000 2.978 737 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 737 D C 0.343 176.747 176.300 0.174 0.000 1.093 737 D CA 1.182 55.126 54.000 -0.094 0.000 1.006 737 D CB -0.406 40.132 40.800 -0.437 0.000 1.116 737 D HN 0.558 nan 8.370 nan 0.000 0.419 738 E N 0.953 121.284 120.200 0.218 0.000 2.349 738 E HA 0.305 4.655 4.350 -0.000 0.000 0.265 738 E C 0.901 177.673 176.600 0.287 0.000 1.064 738 E CA -0.130 56.421 56.400 0.251 0.000 0.886 738 E CB 1.089 30.924 29.700 0.226 0.000 1.036 738 E HN 0.373 nan 8.360 nan 0.000 0.413 739 D N -0.227 120.357 120.400 0.306 0.000 2.466 739 D HA -0.009 4.631 4.640 -0.000 0.000 0.271 739 D C 1.075 177.592 176.300 0.362 0.000 1.193 739 D CA -0.092 54.111 54.000 0.338 0.000 1.103 739 D CB -0.372 40.659 40.800 0.385 0.000 1.184 739 D HN 0.445 nan 8.370 nan 0.000 0.593 740 H N -1.496 117.757 119.070 0.306 0.000 2.495 740 H HA 0.187 4.743 4.556 -0.000 0.000 0.287 740 H C 1.893 177.480 175.328 0.432 0.000 1.033 740 H CA 1.862 58.116 56.048 0.344 0.000 1.307 740 H CB -0.315 29.639 29.762 0.320 0.000 1.401 740 H HN 0.457 nan 8.280 nan 0.000 0.555 741 G N 0.112 109.103 108.800 0.318 0.000 2.511 741 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.217 741 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.217 741 G C 0.735 175.831 174.900 0.326 0.000 1.133 741 G CA 0.348 45.573 45.100 0.209 0.000 0.792 741 G HN 0.532 nan 8.290 nan 0.000 0.539 742 I N 0.202 120.973 120.570 0.336 0.000 3.859 742 I HA -0.333 3.837 4.170 -0.000 0.000 0.126 742 I C 1.522 177.768 176.117 0.215 0.000 1.065 742 I CA 0.187 61.618 61.300 0.220 0.000 2.735 742 I CB -1.146 36.926 38.000 0.121 0.000 1.465 742 I HN 0.275 nan 8.210 nan 0.000 0.341 743 A N 1.055 123.980 122.820 0.174 0.000 2.382 743 A HA 0.262 4.582 4.320 -0.000 0.000 0.228 743 A C 1.152 178.787 177.584 0.085 0.000 1.217 743 A CA 0.572 52.681 52.037 0.120 0.000 0.923 743 A CB 0.230 19.278 19.000 0.081 0.000 0.979 743 A HN 0.620 nan 8.150 nan 0.000 0.515 744 S N -0.273 115.492 115.700 0.108 0.000 2.579 744 S HA 0.201 4.671 4.470 -0.000 0.000 0.275 744 S C 1.238 175.892 174.600 0.090 0.000 1.345 744 S CA 0.384 58.640 58.200 0.093 0.000 1.031 744 S CB 1.161 64.425 63.200 0.106 0.000 0.892 744 S HN 0.511 nan 8.310 nan 0.000 0.529 745 S N 1.757 117.497 115.700 0.068 0.000 2.353 745 S HA -0.176 4.293 4.470 -0.000 0.000 0.222 745 S C 2.068 176.728 174.600 0.100 0.000 1.035 745 S CA 2.217 60.458 58.200 0.068 0.000 1.025 745 S CB -1.591 61.632 63.200 0.039 0.000 0.902 745 S HN 1.060 nan 8.310 nan 0.000 0.440 746 T N -0.550 114.051 114.554 0.078 0.000 2.942 746 T HA 0.280 4.630 4.350 -0.000 0.000 0.265 746 T C 1.945 176.695 174.700 0.084 0.000 1.062 746 T CA 1.114 63.259 62.100 0.076 0.000 1.139 746 T CB -0.734 68.170 68.868 0.058 0.000 0.883 746 T HN 0.457 nan 8.240 nan 0.000 0.468 747 A N 1.615 124.469 122.820 0.056 0.000 1.898 747 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 747 A C 2.193 179.735 177.584 -0.069 0.000 1.181 747 A CA 1.997 54.005 52.037 -0.048 0.000 0.620 747 A CB -1.255 17.693 19.000 -0.086 0.000 0.819 747 A HN 0.756 nan 8.150 nan 0.000 0.442 748 H N -0.415 118.637 119.070 -0.031 0.000 2.321 748 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 748 H C 2.104 177.484 175.328 0.087 0.000 1.087 748 H CA 2.330 58.407 56.048 0.049 0.000 1.319 748 H CB -0.225 29.572 29.762 0.057 0.000 1.379 748 H HN 0.551 nan 8.280 nan 0.000 0.501 749 Q N -0.998 118.775 119.800 -0.044 0.000 2.079 749 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 749 Q C 2.267 178.234 176.000 -0.055 0.000 0.974 749 Q CA 1.381 57.120 55.803 -0.107 0.000 0.840 749 Q CB -0.176 28.554 28.738 -0.014 0.000 0.898 749 Q HN 0.627 nan 8.270 nan 0.000 0.430 750 H N 0.450 119.480 119.070 -0.066 0.000 2.353 750 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 750 H C 2.048 177.367 175.328 -0.016 0.000 1.090 750 H CA 1.495 57.541 56.048 -0.005 0.000 1.327 750 H CB -0.023 29.783 29.762 0.074 0.000 1.383 750 H HN 0.305 nan 8.280 nan 0.000 0.508 751 I N 0.118 120.646 120.570 -0.070 0.000 2.133 751 I HA -0.335 3.835 4.170 -0.000 0.000 0.238 751 I C 1.900 177.799 176.117 -0.363 0.000 1.074 751 I CA 1.308 62.487 61.300 -0.202 0.000 1.342 751 I CB -0.408 37.292 38.000 -0.500 0.000 1.053 751 I HN 0.141 nan 8.210 nan 0.000 0.404 752 Y N 1.209 121.271 120.300 -0.397 0.000 2.241 752 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 752 Y C 2.745 178.432 175.900 -0.354 0.000 1.166 752 Y CA 2.094 59.851 58.100 -0.571 0.000 1.203 752 Y CB -1.142 36.968 38.460 -0.584 0.000 0.977 752 Y HN 0.226 nan 8.280 nan 0.000 0.529 753 T N -1.849 112.625 114.554 -0.132 0.000 2.701 753 T HA -0.216 4.134 4.350 -0.000 0.000 0.263 753 T C 1.587 176.219 174.700 -0.114 0.000 1.040 753 T CA 1.747 63.756 62.100 -0.150 0.000 1.147 753 T CB -0.470 68.314 68.868 -0.140 0.000 0.865 753 T HN 0.418 nan 8.240 nan 0.000 0.426 754 H N 0.739 119.706 119.070 -0.172 0.000 2.352 754 H HA 0.048 4.604 4.556 -0.000 0.000 0.299 754 H C 2.160 177.482 175.328 -0.010 0.000 1.097 754 H CA 1.663 57.677 56.048 -0.056 0.000 1.311 754 H CB -0.250 29.447 29.762 -0.107 0.000 1.377 754 H HN 0.281 nan 8.280 nan 0.000 0.504 755 M N -0.965 118.582 119.600 -0.089 0.000 2.086 755 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 755 M C 2.505 178.911 176.300 0.178 0.000 1.067 755 M CA 1.651 56.898 55.300 -0.090 0.000 1.116 755 M CB -0.083 32.226 32.600 -0.484 0.000 1.348 755 M HN 0.172 nan 8.290 nan 0.000 0.407 756 S N -0.416 115.421 115.700 0.228 0.000 2.359 756 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 756 S C 1.726 176.381 174.600 0.093 0.000 1.039 756 S CA 1.314 59.699 58.200 0.307 0.000 1.042 756 S CB -0.785 62.553 63.200 0.231 0.000 0.915 756 S HN 0.458 nan 8.310 nan 0.000 0.439 757 H N -0.145 118.978 119.070 0.088 0.000 2.319 757 H HA -0.097 4.459 4.556 0.000 0.000 0.299 757 H C 2.026 177.354 175.328 -0.001 0.000 1.092 757 H CA 1.544 57.600 56.048 0.013 0.000 1.302 757 H CB -0.878 28.845 29.762 -0.065 0.000 1.373 757 H HN 0.448 nan 8.280 nan 0.000 0.497 758 F N 1.340 121.268 119.950 -0.036 0.000 2.065 758 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 758 F C 2.436 178.191 175.800 -0.074 0.000 1.112 758 F CA 1.118 59.072 58.000 -0.077 0.000 1.212 758 F CB -0.396 38.540 39.000 -0.106 0.000 0.975 758 F HN -0.021 nan 8.300 nan 0.000 0.476 759 I N 0.736 121.307 120.570 0.002 0.000 2.226 759 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 759 I C 2.278 178.191 176.117 -0.341 0.000 1.100 759 I CA 1.455 62.595 61.300 -0.267 0.000 1.374 759 I CB -1.139 36.799 38.000 -0.103 0.000 1.057 759 I HN 0.233 nan 8.210 nan 0.000 0.413 760 K N 0.303 120.648 120.400 -0.092 0.000 2.032 760 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 760 K C 1.952 178.536 176.600 -0.028 0.000 1.048 760 K CA 1.294 57.581 56.287 0.000 0.000 0.927 760 K CB -0.504 32.043 32.500 0.078 0.000 0.712 760 K HN 0.402 nan 8.250 nan 0.000 0.441 761 Q N 1.555 121.307 119.800 -0.080 0.000 2.170 761 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 761 Q C 2.143 178.050 176.000 -0.156 0.000 0.976 761 Q CA 1.552 57.298 55.803 -0.094 0.000 0.858 761 Q CB -0.561 28.119 28.738 -0.097 0.000 0.907 761 Q HN 0.373 nan 8.270 nan 0.000 0.433 762 c N 0.046 118.447 118.600 -0.332 0.000 2.450 762 c HA -0.003 4.567 4.570 -0.000 0.000 0.279 762 c C 1.987 176.063 174.090 -0.023 0.000 1.335 762 c CA 0.201 56.328 56.329 -0.337 0.000 1.749 762 c CB -1.209 40.908 42.510 -0.655 0.000 1.963 762 c HN 0.523 nan 8.230 nan 0.000 0.501 763 F N 1.705 121.612 119.950 -0.072 0.000 2.727 763 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 763 F C 1.701 177.486 175.800 -0.026 0.000 1.097 763 F CA 0.448 58.430 58.000 -0.031 0.000 1.330 763 F CB -0.986 38.005 39.000 -0.015 0.000 1.084 763 F HN 0.242 nan 8.300 nan 0.000 0.578 764 S N 0.377 116.159 115.700 0.136 0.000 3.521 764 S HA -0.219 4.251 4.470 -0.000 0.000 0.328 764 S C 0.290 174.936 174.600 0.076 0.000 1.165 764 S CA 0.124 58.369 58.200 0.076 0.000 0.941 764 S CB -2.475 60.759 63.200 0.056 0.000 0.951 764 S HN 0.250 nan 8.310 nan 0.000 0.539 765 L N 1.045 122.330 121.223 0.103 0.000 2.436 765 L HA 0.450 4.790 4.340 -0.000 0.000 0.265 765 L C -1.289 175.621 176.870 0.067 0.000 1.168 765 L CA -1.832 53.057 54.840 0.082 0.000 0.815 765 L CB -0.108 42.013 42.059 0.103 0.000 1.109 765 L HN 0.040 nan 8.230 nan 0.000 0.462 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726