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 2oqi_1_C 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 IKQcFS 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 58.247 58.200 0.079 0.000 1.107 39 S CB 0.000 63.265 63.200 0.109 0.000 0.593 40 R N 0.907 121.451 120.500 0.073 0.000 3.211 40 R HA -0.199 4.141 4.340 -0.000 0.000 0.678 40 R C 0.191 176.544 176.300 0.088 0.000 0.241 40 R CA 1.369 57.515 56.100 0.077 0.000 2.078 40 R CB -1.155 29.191 30.300 0.077 0.000 0.744 40 R HN 0.930 nan 8.270 nan 0.000 0.662 41 K N 0.161 120.619 120.400 0.097 0.000 2.240 41 K HA 0.476 4.796 4.320 -0.000 0.000 0.237 41 K C -0.241 176.432 176.600 0.123 0.000 1.027 41 K CA -0.038 56.313 56.287 0.107 0.000 0.937 41 K CB 1.096 33.662 32.500 0.110 0.000 1.171 41 K HN 0.908 nan 8.250 nan 0.000 0.479 42 T N -2.715 111.920 114.554 0.135 0.000 2.948 42 T HA 0.271 4.621 4.350 -0.000 0.000 0.285 42 T C -0.478 174.357 174.700 0.225 0.000 1.019 42 T CA -0.691 61.504 62.100 0.158 0.000 1.013 42 T CB 0.427 69.379 68.868 0.140 0.000 1.117 42 T HN 0.418 nan 8.240 nan 0.000 0.533 43 Y N 2.781 123.159 120.300 0.130 0.000 2.587 43 Y HA 0.350 4.900 4.550 -0.000 0.000 0.344 43 Y C 0.962 177.027 175.900 0.276 0.000 1.061 43 Y CA -0.182 58.039 58.100 0.201 0.000 1.370 43 Y CB -0.347 38.193 38.460 0.134 0.000 1.163 43 Y HN 0.990 nan 8.280 nan 0.000 0.527 44 T N 2.534 117.073 114.554 -0.026 0.000 2.897 44 T HA 0.175 4.525 4.350 -0.000 0.000 0.278 44 T C 0.978 175.563 174.700 -0.191 0.000 0.981 44 T CA -0.808 61.324 62.100 0.053 0.000 0.973 44 T CB 1.242 70.116 68.868 0.010 0.000 1.092 44 T HN 0.630 nan 8.240 nan 0.000 0.543 45 L N 1.086 122.026 121.223 -0.471 0.000 2.012 45 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 45 L C 2.668 179.373 176.870 -0.274 0.000 1.073 45 L CA 2.256 56.691 54.840 -0.675 0.000 0.748 45 L CB -1.586 39.971 42.059 -0.835 0.000 0.891 45 L HN 0.972 nan 8.230 nan 0.000 0.431 46 T N -0.546 113.874 114.554 -0.223 0.000 2.720 46 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 46 T C 1.489 176.079 174.700 -0.183 0.000 1.037 46 T CA 1.484 63.484 62.100 -0.168 0.000 1.144 46 T CB -0.435 68.358 68.868 -0.125 0.000 0.864 46 T HN 0.415 nan 8.240 nan 0.000 0.444 47 D N 0.061 120.313 120.400 -0.247 0.000 2.149 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 47 D C 1.719 177.905 176.300 -0.190 0.000 0.990 47 D CA 1.070 54.885 54.000 -0.309 0.000 0.839 47 D CB -0.290 40.217 40.800 -0.487 0.000 0.948 47 D HN 0.465 nan 8.370 nan 0.000 0.460 48 Y N 1.272 121.378 120.300 -0.323 0.000 2.206 48 Y HA -0.000 4.550 4.550 -0.000 0.000 0.292 48 Y C 2.151 178.051 175.900 0.001 0.000 1.123 48 Y CA 0.947 59.043 58.100 -0.007 0.000 1.142 48 Y CB -0.530 37.992 38.460 0.103 0.000 1.006 48 Y HN -0.134 nan 8.280 nan 0.000 0.518 49 L N 0.028 121.061 121.223 -0.317 0.000 2.056 49 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 49 L C 1.864 178.615 176.870 -0.198 0.000 1.078 49 L CA 1.299 55.920 54.840 -0.364 0.000 0.749 49 L CB -0.449 41.458 42.059 -0.254 0.000 0.901 49 L HN 0.019 nan 8.230 nan 0.000 0.433 50 K N 0.226 120.537 120.400 -0.148 0.000 2.417 50 K HA 0.028 4.348 4.320 -0.000 0.000 0.196 50 K C 0.102 176.646 176.600 -0.093 0.000 1.023 50 K CA -0.072 56.152 56.287 -0.106 0.000 1.122 50 K CB -0.682 31.757 32.500 -0.103 0.000 0.850 50 K HN 0.306 nan 8.250 nan 0.000 0.521 51 N N 1.718 120.368 118.700 -0.082 0.000 2.699 51 N HA -0.233 4.507 4.740 -0.000 0.000 0.256 51 N C 0.497 175.984 175.510 -0.038 0.000 0.993 51 N CA 0.470 53.512 53.050 -0.014 0.000 0.759 51 N CB -0.275 38.206 38.487 -0.011 0.000 0.906 51 N HN 0.345 nan 8.380 nan 0.000 0.541 52 T N -2.809 111.661 114.554 -0.139 0.000 2.915 52 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 52 T C 0.550 175.037 174.700 -0.354 0.000 1.071 52 T CA 1.009 62.924 62.100 -0.307 0.000 1.132 52 T CB -0.121 68.441 68.868 -0.511 0.000 0.878 52 T HN 0.331 nan 8.240 nan 0.000 0.479 53 Y N 2.087 122.489 120.300 0.169 0.000 2.700 53 Y HA 0.657 5.207 4.550 -0.000 0.000 0.333 53 Y C 0.591 176.597 175.900 0.176 0.000 1.036 53 Y CA -1.971 56.247 58.100 0.196 0.000 1.287 53 Y CB 0.256 38.895 38.460 0.298 0.000 1.132 53 Y HN -0.009 nan 8.280 nan 0.000 0.510 54 R N 2.002 122.640 120.500 0.230 0.000 2.641 54 R HA 0.478 4.818 4.340 -0.000 0.000 0.269 54 R C -1.112 175.296 176.300 0.180 0.000 1.074 54 R CA -0.073 56.129 56.100 0.169 0.000 1.133 54 R CB 0.374 30.736 30.300 0.103 0.000 1.029 54 R HN 0.690 nan 8.270 nan 0.000 0.488 55 L N 2.972 124.289 121.223 0.157 0.000 2.334 55 L HA 0.493 4.832 4.340 -0.000 0.000 0.276 55 L C -0.145 176.791 176.870 0.111 0.000 1.014 55 L CA -0.759 54.173 54.840 0.153 0.000 0.815 55 L CB 1.992 44.163 42.059 0.186 0.000 1.268 55 L HN 0.546 nan 8.230 nan 0.000 0.428 56 K N 2.949 123.410 120.400 0.102 0.000 2.156 56 K HA 0.743 5.063 4.320 -0.000 0.000 0.250 56 K C -0.976 175.646 176.600 0.037 0.000 0.955 56 K CA -0.541 55.780 56.287 0.057 0.000 0.855 56 K CB 1.960 34.491 32.500 0.052 0.000 1.101 56 K HN 0.364 nan 8.250 nan 0.000 0.434 57 L N 0.560 121.719 121.223 -0.106 0.000 2.171 57 L HA 0.553 4.893 4.340 -0.000 0.000 0.253 57 L C -1.157 175.365 176.870 -0.580 0.000 1.054 57 L CA -1.165 53.424 54.840 -0.419 0.000 0.927 57 L CB 0.747 42.688 42.059 -0.197 0.000 1.513 57 L HN 0.516 nan 8.230 nan 0.000 0.471 58 Y N 0.247 119.956 120.300 -0.985 0.000 2.484 58 Y HA 0.350 4.900 4.550 -0.000 0.000 0.348 58 Y C -0.970 174.746 175.900 -0.306 0.000 1.103 58 Y CA -0.607 57.177 58.100 -0.527 0.000 1.317 58 Y CB 1.387 39.454 38.460 -0.656 0.000 1.096 58 Y HN 0.377 nan 8.280 nan 0.000 0.568 59 S N 6.353 121.974 115.700 -0.132 0.000 2.404 59 S HA 0.596 5.066 4.470 -0.000 0.000 0.309 59 S C -0.800 173.757 174.600 -0.073 0.000 1.076 59 S CA -0.551 57.600 58.200 -0.081 0.000 1.095 59 S CB -0.101 63.040 63.200 -0.097 0.000 0.972 59 S HN 0.547 nan 8.310 nan 0.000 0.484 60 L N 0.993 122.142 121.223 -0.123 0.000 2.341 60 L HA 0.783 5.123 4.340 -0.000 0.000 0.267 60 L C -0.333 176.394 176.870 -0.237 0.000 1.009 60 L CA -0.858 53.838 54.840 -0.241 0.000 0.819 60 L CB 1.110 42.674 42.059 -0.826 0.000 1.323 60 L HN 0.314 nan 8.230 nan 0.000 0.425 61 R N 1.937 122.359 120.500 -0.129 0.000 2.388 61 R HA 0.313 4.652 4.340 -0.000 0.000 0.314 61 R C -1.667 174.668 176.300 0.058 0.000 0.959 61 R CA -0.547 55.543 56.100 -0.018 0.000 0.851 61 R CB 0.768 31.101 30.300 0.055 0.000 1.168 61 R HN 0.887 nan 8.270 nan 0.000 0.472 62 W N 5.532 126.935 121.300 0.172 0.000 2.295 62 W HA 0.025 4.685 4.660 -0.000 0.000 0.335 62 W C 1.805 178.415 176.519 0.153 0.000 1.351 62 W CA -0.264 57.203 57.345 0.204 0.000 1.273 62 W CB 0.473 30.049 29.460 0.194 0.000 1.214 62 W HN 0.587 nan 8.180 nan 0.000 0.563 63 I N 0.202 121.009 120.570 0.396 0.000 4.181 63 I HA 0.266 4.436 4.170 -0.000 0.000 0.331 63 I C 0.683 176.942 176.117 0.236 0.000 1.312 63 I CA -0.020 61.415 61.300 0.225 0.000 1.146 63 I CB -0.089 37.965 38.000 0.090 0.000 1.074 63 I HN 0.284 nan 8.210 nan 0.000 0.402 64 S N -0.182 115.718 115.700 0.333 0.000 2.929 64 S HA 0.316 4.786 4.470 -0.000 0.000 0.311 64 S C -0.197 174.573 174.600 0.284 0.000 1.213 64 S CA -0.085 58.293 58.200 0.296 0.000 0.908 64 S CB 1.561 64.953 63.200 0.319 0.000 1.287 64 S HN 0.114 nan 8.310 nan 0.000 0.594 65 D N -1.209 119.351 120.400 0.266 0.000 2.369 65 D HA 0.295 4.935 4.640 -0.000 0.000 0.211 65 D C 0.619 176.833 176.300 -0.144 0.000 1.077 65 D CA 0.427 54.401 54.000 -0.044 0.000 0.842 65 D CB 0.058 40.767 40.800 -0.152 0.000 0.947 65 D HN 0.587 nan 8.370 nan 0.000 0.509 66 H N -1.443 117.787 119.070 0.267 0.000 3.400 66 H HA 0.458 5.014 4.556 -0.000 0.000 0.251 66 H C -0.130 175.365 175.328 0.278 0.000 1.040 66 H CA -0.156 56.088 56.048 0.327 0.000 1.175 66 H CB 0.674 30.568 29.762 0.220 0.000 1.487 66 H HN 0.010 nan 8.280 nan 0.000 0.505 67 E N 0.408 120.892 120.200 0.473 0.000 2.393 67 E HA 0.420 4.770 4.350 -0.000 0.000 0.273 67 E C -1.508 175.372 176.600 0.466 0.000 0.918 67 E CA -1.307 55.290 56.400 0.329 0.000 0.773 67 E CB 2.963 32.773 29.700 0.183 0.000 1.275 67 E HN 0.175 nan 8.360 nan 0.000 0.451 68 Y N -0.851 119.556 120.300 0.179 0.000 2.562 68 Y HA 0.599 5.149 4.550 -0.000 0.000 0.345 68 Y C -1.717 174.193 175.900 0.017 0.000 1.045 68 Y CA -1.345 56.729 58.100 -0.045 0.000 1.028 68 Y CB 0.745 38.777 38.460 -0.713 0.000 1.297 68 Y HN 0.382 nan 8.280 nan 0.000 0.463 69 L N 3.255 124.628 121.223 0.250 0.000 2.325 69 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 69 L C -1.244 175.842 176.870 0.360 0.000 1.054 69 L CA -0.961 53.981 54.840 0.171 0.000 0.804 69 L CB 1.258 43.268 42.059 -0.081 0.000 1.200 69 L HN 0.813 nan 8.230 nan 0.000 0.436 70 Y N 3.620 124.062 120.300 0.237 0.000 2.749 70 Y HA 0.290 4.840 4.550 -0.000 0.000 0.343 70 Y C -0.202 175.707 175.900 0.014 0.000 1.015 70 Y CA -1.228 56.944 58.100 0.120 0.000 1.270 70 Y CB 0.357 38.961 38.460 0.239 0.000 1.097 70 Y HN 0.415 nan 8.280 nan 0.000 0.571 71 K N 4.046 124.219 120.400 -0.378 0.000 2.550 71 K HA -0.009 4.311 4.320 -0.000 0.000 0.280 71 K C -0.214 176.019 176.600 -0.612 0.000 0.987 71 K CA 0.701 56.750 56.287 -0.396 0.000 1.048 71 K CB 0.557 32.887 32.500 -0.284 0.000 0.879 71 K HN 0.694 nan 8.250 nan 0.000 0.491 72 Q N 0.803 120.386 119.800 -0.361 0.000 2.552 72 Q HA 0.082 4.421 4.340 -0.000 0.000 0.289 72 Q C 0.399 176.298 176.000 -0.167 0.000 1.097 72 Q CA -0.705 54.919 55.803 -0.299 0.000 0.812 72 Q CB 1.605 30.248 28.738 -0.159 0.000 1.460 72 Q HN 0.585 nan 8.270 nan 0.000 0.452 73 E N -0.001 120.132 120.200 -0.113 0.000 2.331 73 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 73 E C 0.377 176.956 176.600 -0.035 0.000 1.008 73 E CA 1.102 57.464 56.400 -0.063 0.000 0.843 73 E CB 0.356 30.031 29.700 -0.041 0.000 0.761 73 E HN 0.390 nan 8.360 nan 0.000 0.507 74 N N -0.423 118.251 118.700 -0.043 0.000 2.559 74 N HA 0.006 4.746 4.740 -0.000 0.000 0.247 74 N C -0.396 175.088 175.510 -0.043 0.000 1.063 74 N CA 0.199 53.234 53.050 -0.025 0.000 0.876 74 N CB 0.471 38.945 38.487 -0.021 0.000 1.608 74 N HN 0.073 nan 8.380 nan 0.000 0.467 75 N N 0.531 119.190 118.700 -0.069 0.000 2.242 75 N HA 0.396 5.136 4.740 -0.000 0.000 0.292 75 N C -1.091 174.356 175.510 -0.105 0.000 1.125 75 N CA -0.495 52.501 53.050 -0.090 0.000 0.783 75 N CB 1.516 39.964 38.487 -0.064 0.000 1.558 75 N HN -0.047 nan 8.380 nan 0.000 0.472 76 I N 1.252 121.747 120.570 -0.126 0.000 2.452 76 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 76 I C -0.111 176.026 176.117 0.034 0.000 1.079 76 I CA -0.377 60.868 61.300 -0.090 0.000 1.387 76 I CB 0.176 38.100 38.000 -0.127 0.000 1.404 76 I HN 0.281 nan 8.210 nan 0.000 0.522 77 L N 6.888 128.151 121.223 0.067 0.000 2.344 77 L HA 0.573 4.913 4.340 -0.000 0.000 0.272 77 L C -0.206 176.716 176.870 0.087 0.000 1.035 77 L CA -0.804 54.069 54.840 0.056 0.000 0.807 77 L CB 2.056 44.133 42.059 0.031 0.000 1.237 77 L HN 0.342 nan 8.230 nan 0.000 0.442 78 V N 1.998 121.894 119.914 -0.031 0.000 2.513 78 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 78 V C -1.046 174.901 176.094 -0.246 0.000 1.035 78 V CA -0.263 62.026 62.300 -0.020 0.000 0.889 78 V CB 1.580 33.458 31.823 0.091 0.000 0.988 78 V HN 0.463 nan 8.190 nan 0.000 0.440 79 F N 4.853 124.604 119.950 -0.333 0.000 2.522 79 F HA 0.532 5.059 4.527 -0.000 0.000 0.324 79 F C 0.307 175.832 175.800 -0.458 0.000 1.077 79 F CA -0.591 57.102 58.000 -0.513 0.000 0.944 79 F CB 1.917 40.275 39.000 -1.071 0.000 1.175 79 F HN 0.521 nan 8.300 nan 0.000 0.468 80 N N 1.866 120.518 118.700 -0.080 0.000 2.469 80 N HA 0.326 5.066 4.740 -0.000 0.000 0.253 80 N C 0.358 175.804 175.510 -0.108 0.000 0.970 80 N CA 0.076 53.103 53.050 -0.037 0.000 0.940 80 N CB 1.792 40.326 38.487 0.079 0.000 1.128 80 N HN 0.789 nan 8.380 nan 0.000 0.503 81 A N 3.965 126.658 122.820 -0.213 0.000 1.849 81 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 81 A C 1.843 179.124 177.584 -0.504 0.000 1.202 81 A CA 2.061 53.832 52.037 -0.444 0.000 0.629 81 A CB -0.880 17.502 19.000 -1.030 0.000 0.834 81 A HN 0.814 nan 8.150 nan 0.000 0.447 82 E N -1.186 118.676 120.200 -0.564 0.000 2.108 82 E HA -0.246 4.104 4.350 -0.000 0.000 0.203 82 E C 1.554 177.857 176.600 -0.496 0.000 1.022 82 E CA 2.449 58.564 56.400 -0.476 0.000 0.823 82 E CB -0.403 28.883 29.700 -0.690 0.000 0.744 82 E HN 0.755 nan 8.360 nan 0.000 0.456 83 Y N -2.645 117.650 120.300 -0.010 0.000 2.559 83 Y HA 0.394 4.944 4.550 -0.000 0.000 0.279 83 Y C 1.957 177.852 175.900 -0.009 0.000 1.117 83 Y CA 0.442 58.540 58.100 -0.003 0.000 1.263 83 Y CB 0.427 38.890 38.460 0.006 0.000 1.230 83 Y HN 0.195 nan 8.280 nan 0.000 0.528 84 G N 0.244 109.118 108.800 0.123 0.000 2.218 84 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 84 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 84 G C -0.044 174.960 174.900 0.174 0.000 0.994 84 G CA -0.111 45.064 45.100 0.126 0.000 0.637 84 G HN 0.422 nan 8.290 nan 0.000 0.505 85 N N 1.273 120.041 118.700 0.114 0.000 2.454 85 N HA 0.446 5.186 4.740 -0.000 0.000 0.254 85 N C 0.174 175.608 175.510 -0.127 0.000 1.228 85 N CA 0.959 54.016 53.050 0.013 0.000 0.900 85 N CB 1.392 39.886 38.487 0.010 0.000 1.089 85 N HN 1.006 nan 8.380 nan 0.000 0.449 86 S N 0.525 116.047 115.700 -0.296 0.000 2.709 86 S HA 0.821 5.291 4.470 -0.000 0.000 0.302 86 S C -0.846 173.552 174.600 -0.338 0.000 1.127 86 S CA -0.766 57.078 58.200 -0.594 0.000 0.905 86 S CB 1.470 63.842 63.200 -1.380 0.000 1.151 86 S HN 0.647 nan 8.310 nan 0.000 0.510 87 S N 0.044 115.557 115.700 -0.311 0.000 2.535 87 S HA 0.416 4.886 4.470 -0.000 0.000 0.272 87 S C -1.091 173.437 174.600 -0.120 0.000 1.149 87 S CA -0.765 57.336 58.200 -0.165 0.000 0.888 87 S CB 1.488 64.626 63.200 -0.104 0.000 1.110 87 S HN 0.778 nan 8.310 nan 0.000 0.463 88 V N 3.508 123.369 119.914 -0.089 0.000 2.493 88 V HA 0.047 4.167 4.120 -0.000 0.000 0.292 88 V C 0.791 176.874 176.094 -0.018 0.000 1.016 88 V CA 0.560 62.829 62.300 -0.052 0.000 1.097 88 V CB -0.234 31.549 31.823 -0.068 0.000 0.947 88 V HN 0.946 nan 8.190 nan 0.000 0.479 89 F N 6.669 126.562 119.950 -0.095 0.000 2.270 89 F HA 0.230 4.757 4.527 -0.000 0.000 0.295 89 F C 0.552 176.311 175.800 -0.068 0.000 1.087 89 F CA 0.603 58.560 58.000 -0.071 0.000 1.365 89 F CB 0.521 39.488 39.000 -0.055 0.000 1.056 89 F HN 0.380 nan 8.300 nan 0.000 0.506 90 L N -0.196 121.020 121.223 -0.010 0.000 2.705 90 L HA 0.424 4.763 4.340 -0.000 0.000 0.260 90 L C -1.140 175.665 176.870 -0.108 0.000 0.921 90 L CA -0.991 53.784 54.840 -0.107 0.000 0.948 90 L CB 0.488 42.515 42.059 -0.053 0.000 1.427 90 L HN -0.231 nan 8.230 nan 0.000 0.432 91 E N 2.573 122.680 120.200 -0.156 0.000 2.415 91 E HA 0.164 4.514 4.350 -0.000 0.000 0.262 91 E C 1.308 177.825 176.600 -0.137 0.000 1.038 91 E CA 0.506 56.822 56.400 -0.140 0.000 0.921 91 E CB 0.819 30.429 29.700 -0.150 0.000 0.950 91 E HN 0.715 nan 8.360 nan 0.000 0.438 92 N N 1.596 120.248 118.700 -0.079 0.000 2.013 92 N HA -0.267 4.473 4.740 -0.000 0.000 0.195 92 N C 1.576 177.062 175.510 -0.041 0.000 1.051 92 N CA 1.829 54.864 53.050 -0.025 0.000 0.851 92 N CB -0.938 37.540 38.487 -0.015 0.000 1.044 92 N HN 0.477 nan 8.380 nan 0.000 0.422 93 S N 0.772 116.429 115.700 -0.072 0.000 2.423 93 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 93 S C 1.803 176.293 174.600 -0.183 0.000 1.028 93 S CA 1.914 60.063 58.200 -0.085 0.000 1.000 93 S CB -1.409 61.745 63.200 -0.078 0.000 0.797 93 S HN 0.438 nan 8.310 nan 0.000 0.487 94 T N 1.169 115.516 114.554 -0.344 0.000 2.755 94 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 94 T C 0.654 174.801 174.700 -0.922 0.000 1.041 94 T CA 1.891 63.560 62.100 -0.718 0.000 1.147 94 T CB -0.557 67.642 68.868 -1.115 0.000 0.847 94 T HN 0.667 nan 8.240 nan 0.000 0.478 95 F N 0.176 120.075 119.950 -0.085 0.000 2.724 95 F HA 0.322 4.849 4.527 -0.000 0.000 0.310 95 F C 1.267 177.089 175.800 0.036 0.000 1.107 95 F CA -1.235 56.731 58.000 -0.056 0.000 1.218 95 F CB 0.034 38.911 39.000 -0.205 0.000 1.042 95 F HN -0.088 nan 8.300 nan 0.000 0.540 96 D N 1.516 121.978 120.400 0.104 0.000 2.303 96 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 96 D C 1.373 177.732 176.300 0.099 0.000 1.011 96 D CA 1.973 56.023 54.000 0.083 0.000 0.860 96 D CB -0.435 40.381 40.800 0.027 0.000 0.961 96 D HN 0.515 nan 8.370 nan 0.000 0.453 97 E N 0.312 120.563 120.200 0.084 0.000 2.368 97 E HA 0.028 4.378 4.350 -0.000 0.000 0.283 97 E C 0.473 177.124 176.600 0.084 0.000 1.476 97 E CA -0.399 56.032 56.400 0.051 0.000 1.786 97 E CB -0.447 29.262 29.700 0.014 0.000 1.518 97 E HN 0.216 nan 8.360 nan 0.000 0.456 98 F N 1.559 121.493 119.950 -0.026 0.000 2.743 98 F HA 0.261 4.788 4.527 -0.000 0.000 0.297 98 F C 1.577 177.244 175.800 -0.220 0.000 1.131 98 F CA 0.876 58.842 58.000 -0.057 0.000 1.426 98 F CB 0.293 39.280 39.000 -0.023 0.000 1.116 98 F HN 0.416 nan 8.300 nan 0.000 0.583 99 G N 0.051 108.638 108.800 -0.357 0.000 2.184 99 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.264 99 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.264 99 G C -0.033 174.360 174.900 -0.845 0.000 0.975 99 G CA 0.522 45.255 45.100 -0.612 0.000 0.642 99 G HN 0.548 nan 8.290 nan 0.000 0.536 100 H N -0.445 118.498 119.070 -0.212 0.000 2.865 100 H HA 0.562 5.118 4.556 -0.000 0.000 0.362 100 H C -0.417 174.975 175.328 0.107 0.000 1.114 100 H CA -0.200 55.800 56.048 -0.079 0.000 1.208 100 H CB 1.537 31.099 29.762 -0.333 0.000 1.727 100 H HN 0.174 nan 8.280 nan 0.000 0.534 101 S N 3.000 118.825 115.700 0.209 0.000 2.498 101 S HA 0.240 4.710 4.470 -0.000 0.000 0.281 101 S C 0.309 174.966 174.600 0.095 0.000 1.265 101 S CA -0.520 57.752 58.200 0.120 0.000 1.071 101 S CB -0.497 62.758 63.200 0.091 0.000 0.894 101 S HN 0.386 nan 8.310 nan 0.000 0.491 102 I N 5.697 126.255 120.570 -0.021 0.000 2.331 102 I HA 0.251 4.421 4.170 -0.000 0.000 0.292 102 I C 1.235 177.237 176.117 -0.191 0.000 0.998 102 I CA -0.517 60.675 61.300 -0.180 0.000 1.267 102 I CB 1.261 38.957 38.000 -0.507 0.000 1.386 102 I HN 0.764 nan 8.210 nan 0.000 0.476 103 N N 4.220 122.807 118.700 -0.190 0.000 2.254 103 N HA 0.067 4.807 4.740 -0.000 0.000 0.190 103 N C -0.271 175.116 175.510 -0.204 0.000 1.107 103 N CA 0.200 53.134 53.050 -0.194 0.000 0.869 103 N CB 0.751 39.085 38.487 -0.254 0.000 0.983 103 N HN 0.545 nan 8.380 nan 0.000 0.487 104 D N -0.992 119.247 120.400 -0.268 0.000 2.685 104 D HA 0.280 4.920 4.640 -0.000 0.000 0.236 104 D C -1.603 174.542 176.300 -0.259 0.000 1.233 104 D CA -0.342 53.566 54.000 -0.153 0.000 0.760 104 D CB 1.290 42.052 40.800 -0.064 0.000 1.410 104 D HN -0.117 nan 8.370 nan 0.000 0.439 105 Y N -0.020 120.281 120.300 0.002 0.000 2.650 105 Y HA 0.651 5.201 4.550 -0.000 0.000 0.331 105 Y C 0.258 176.229 175.900 0.118 0.000 1.082 105 Y CA -0.790 57.332 58.100 0.038 0.000 1.171 105 Y CB 2.143 40.623 38.460 0.033 0.000 1.326 105 Y HN 0.163 nan 8.280 nan 0.000 0.513 106 S N 1.148 117.071 115.700 0.371 0.000 2.481 106 S HA 0.453 4.923 4.470 -0.000 0.000 0.262 106 S C -1.636 173.254 174.600 0.484 0.000 1.061 106 S CA -0.453 57.981 58.200 0.390 0.000 1.039 106 S CB -0.129 63.306 63.200 0.392 0.000 1.170 106 S HN 0.555 nan 8.310 nan 0.000 0.437 107 I N 4.691 125.418 120.570 0.262 0.000 2.325 107 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 107 I C 0.982 176.957 176.117 -0.236 0.000 1.019 107 I CA -0.323 61.030 61.300 0.088 0.000 1.302 107 I CB 1.630 39.636 38.000 0.010 0.000 1.401 107 I HN 0.767 nan 8.210 nan 0.000 0.485 108 S N 8.055 123.280 115.700 -0.792 0.000 2.558 108 S HA 0.099 4.568 4.470 -0.000 0.000 0.287 108 S C -1.509 172.796 174.600 -0.492 0.000 1.321 108 S CA -0.932 56.429 58.200 -1.398 0.000 1.048 108 S CB 0.287 62.507 63.200 -1.634 0.000 0.844 108 S HN 0.533 nan 8.310 nan 0.000 0.512 109 P HA 0.017 nan 4.420 nan 0.000 0.250 109 P C 0.173 177.420 177.300 -0.088 0.000 1.239 109 P CA 0.487 63.521 63.100 -0.110 0.000 0.756 109 P CB 0.040 31.713 31.700 -0.045 0.000 1.013 110 D N -0.273 120.047 120.400 -0.133 0.000 2.277 110 D HA 0.050 4.690 4.640 -0.000 0.000 0.209 110 D C 1.844 178.119 176.300 -0.042 0.000 0.970 110 D CA 1.366 55.326 54.000 -0.066 0.000 0.874 110 D CB -0.051 40.742 40.800 -0.012 0.000 0.982 110 D HN 0.175 nan 8.370 nan 0.000 0.504 111 G N 0.995 109.771 108.800 -0.039 0.000 2.176 111 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.253 111 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.253 111 G C 1.057 175.959 174.900 0.003 0.000 0.979 111 G CA 0.610 45.752 45.100 0.071 0.000 0.641 111 G HN 0.397 nan 8.290 nan 0.000 0.530 112 Q N -1.403 118.312 119.800 -0.142 0.000 2.354 112 Q HA 0.425 4.765 4.340 -0.000 0.000 0.203 112 Q C 0.025 175.560 176.000 -0.774 0.000 0.933 112 Q CA 0.615 56.157 55.803 -0.436 0.000 0.901 112 Q CB 0.294 28.759 28.738 -0.454 0.000 1.007 112 Q HN 0.535 nan 8.270 nan 0.000 0.495 113 F N -0.780 119.130 119.950 -0.066 0.000 2.645 113 F HA 0.488 5.015 4.527 -0.000 0.000 0.310 113 F C -0.748 175.125 175.800 0.121 0.000 1.102 113 F CA -1.081 56.930 58.000 0.019 0.000 0.952 113 F CB 1.477 40.469 39.000 -0.014 0.000 1.326 113 F HN -0.272 nan 8.300 nan 0.000 0.456 114 I N 2.774 123.682 120.570 0.564 0.000 2.545 114 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 114 I C -1.435 175.013 176.117 0.552 0.000 1.040 114 I CA -0.994 60.620 61.300 0.525 0.000 1.068 114 I CB 2.092 40.389 38.000 0.496 0.000 1.251 114 I HN 0.263 nan 8.210 nan 0.000 0.424 115 L N 6.771 128.326 121.223 0.553 0.000 2.307 115 L HA 0.531 4.871 4.340 -0.000 0.000 0.282 115 L C -0.824 176.161 176.870 0.191 0.000 1.051 115 L CA -0.141 54.920 54.840 0.367 0.000 0.804 115 L CB 1.193 43.430 42.059 0.296 0.000 1.197 115 L HN 0.434 nan 8.230 nan 0.000 0.431 116 L N 4.637 125.892 121.223 0.055 0.000 2.298 116 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 116 L C -0.214 176.587 176.870 -0.115 0.000 1.013 116 L CA -0.429 54.291 54.840 -0.201 0.000 0.824 116 L CB 1.594 43.348 42.059 -0.508 0.000 1.221 116 L HN 0.593 nan 8.230 nan 0.000 0.418 117 E N 4.012 124.081 120.200 -0.219 0.000 2.174 117 E HA 0.449 4.799 4.350 -0.000 0.000 0.282 117 E C -1.576 174.929 176.600 -0.159 0.000 0.992 117 E CA -0.477 55.710 56.400 -0.355 0.000 0.803 117 E CB 1.028 30.574 29.700 -0.257 0.000 1.090 117 E HN 0.445 nan 8.360 nan 0.000 0.396 118 Y N 1.512 121.593 120.300 -0.365 0.000 2.728 118 Y HA 0.422 4.972 4.550 -0.000 0.000 0.330 118 Y C -0.196 175.593 175.900 -0.184 0.000 1.234 118 Y CA -1.713 56.264 58.100 -0.204 0.000 1.070 118 Y CB 0.383 38.783 38.460 -0.099 0.000 1.300 118 Y HN 0.505 nan 8.280 nan 0.000 0.467 119 N N -0.162 118.491 118.700 -0.079 0.000 2.727 119 N HA -0.296 4.444 4.740 -0.000 0.000 0.249 119 N C -1.058 174.385 175.510 -0.111 0.000 1.048 119 N CA 1.041 53.999 53.050 -0.154 0.000 0.714 119 N CB -1.382 36.895 38.487 -0.350 0.000 0.959 119 N HN 0.842 nan 8.380 nan 0.000 0.544 120 Y N 0.112 120.321 120.300 -0.152 0.000 2.544 120 Y HA 0.322 4.872 4.550 -0.000 0.000 0.330 120 Y C -0.014 175.843 175.900 -0.072 0.000 1.136 120 Y CA -0.110 57.913 58.100 -0.128 0.000 1.417 120 Y CB 0.773 39.121 38.460 -0.187 0.000 1.229 120 Y HN -0.012 nan 8.280 nan 0.000 0.532 121 V N 8.013 127.534 119.914 -0.655 0.000 2.419 121 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 121 V C -0.293 175.388 176.094 -0.688 0.000 1.017 121 V CA -1.390 60.575 62.300 -0.558 0.000 0.844 121 V CB 1.176 32.842 31.823 -0.261 0.000 1.011 121 V HN 0.771 nan 8.190 nan 0.000 0.429 122 K N 3.583 123.515 120.400 -0.781 0.000 2.414 122 K HA 0.208 4.528 4.320 -0.000 0.000 0.272 122 K C 0.479 176.931 176.600 -0.246 0.000 0.993 122 K CA 0.272 56.312 56.287 -0.411 0.000 0.964 122 K CB 1.221 33.651 32.500 -0.117 0.000 0.925 122 K HN 0.804 nan 8.250 nan 0.000 0.487 123 Q N 2.959 122.629 119.800 -0.216 0.000 2.471 123 Q HA 0.171 4.511 4.340 -0.000 0.000 0.207 123 Q C 0.078 175.961 176.000 -0.195 0.000 0.889 123 Q CA -0.422 55.099 55.803 -0.470 0.000 0.726 123 Q CB 0.099 28.354 28.738 -0.806 0.000 2.132 123 Q HN 0.747 nan 8.270 nan 0.000 0.531 124 W N 0.127 121.426 121.300 -0.001 0.000 1.705 124 W HA 0.279 4.939 4.660 -0.000 0.000 0.634 124 W C 1.930 178.434 176.519 -0.025 0.000 1.570 124 W CA -0.494 56.871 57.345 0.033 0.000 1.631 124 W CB -0.151 29.285 29.460 -0.039 0.000 3.266 124 W HN 0.312 nan 8.180 nan 0.000 0.778 125 R N -0.634 119.961 120.500 0.158 0.000 2.073 125 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 125 R C 1.746 177.844 176.300 -0.336 0.000 1.120 125 R CA 1.940 57.930 56.100 -0.183 0.000 0.967 125 R CB -0.493 29.540 30.300 -0.445 0.000 0.862 125 R HN 0.440 nan 8.270 nan 0.000 0.436 126 H N -1.243 117.918 119.070 0.151 0.000 2.926 126 H HA 0.248 4.804 4.556 -0.000 0.000 0.249 126 H C 0.478 175.930 175.328 0.207 0.000 0.963 126 H CA 0.475 56.636 56.048 0.188 0.000 1.158 126 H CB 0.024 29.867 29.762 0.135 0.000 1.445 126 H HN 0.216 nan 8.280 nan 0.000 0.452 127 S N 1.316 117.052 115.700 0.060 0.000 2.589 127 S HA 0.315 4.785 4.470 -0.000 0.000 0.265 127 S C -0.178 174.358 174.600 -0.107 0.000 1.342 127 S CA -0.259 57.675 58.200 -0.444 0.000 1.005 127 S CB 0.657 63.043 63.200 -1.356 0.000 0.909 127 S HN 0.515 nan 8.310 nan 0.000 0.555 128 Y N -2.873 117.301 120.300 -0.211 0.000 2.927 128 Y HA 0.533 5.083 4.550 -0.000 0.000 0.392 128 Y C -1.092 174.830 175.900 0.038 0.000 1.159 128 Y CA -0.784 57.231 58.100 -0.142 0.000 1.220 128 Y CB 0.257 38.666 38.460 -0.084 0.000 1.506 128 Y HN 1.042 nan 8.280 nan 0.000 0.481 129 T N 0.050 114.723 114.554 0.198 0.000 2.906 129 T HA 1.042 5.392 4.350 -0.000 0.000 0.295 129 T C -0.604 174.218 174.700 0.203 0.000 1.075 129 T CA -0.118 62.084 62.100 0.170 0.000 1.005 129 T CB 1.839 70.740 68.868 0.055 0.000 1.136 129 T HN 2.067 nan 8.240 nan 0.000 0.498 130 A N 1.017 123.925 122.820 0.147 0.000 2.515 130 A HA 0.862 5.182 4.320 -0.000 0.000 0.299 130 A C -0.811 176.580 177.584 -0.323 0.000 1.179 130 A CA -0.998 50.971 52.037 -0.114 0.000 0.656 130 A CB 0.959 19.873 19.000 -0.143 0.000 1.306 130 A HN 0.958 nan 8.150 nan 0.000 0.459 131 S N -0.800 114.431 115.700 -0.781 0.000 2.537 131 S HA 0.795 5.265 4.470 -0.000 0.000 0.301 131 S C -1.599 172.379 174.600 -1.037 0.000 1.092 131 S CA -0.146 57.526 58.200 -0.879 0.000 1.048 131 S CB 0.849 63.217 63.200 -1.386 0.000 1.053 131 S HN 0.448 nan 8.310 nan 0.000 0.501 132 Y N 0.191 120.301 120.300 -0.317 0.000 2.477 132 Y HA 0.549 5.099 4.550 -0.000 0.000 0.347 132 Y C -0.341 175.601 175.900 0.070 0.000 0.981 132 Y CA -0.922 57.120 58.100 -0.096 0.000 1.033 132 Y CB 1.718 40.045 38.460 -0.221 0.000 1.245 132 Y HN 0.491 nan 8.280 nan 0.000 0.455 133 D N 2.400 122.968 120.400 0.280 0.000 2.780 133 D HA 0.499 5.139 4.640 -0.000 0.000 0.242 133 D C -1.034 175.357 176.300 0.152 0.000 1.135 133 D CA -0.327 53.804 54.000 0.218 0.000 0.859 133 D CB 2.480 43.461 40.800 0.302 0.000 1.530 133 D HN 0.410 nan 8.370 nan 0.000 0.493 134 I N 2.563 123.221 120.570 0.146 0.000 2.355 134 I HA 0.202 4.372 4.170 -0.000 0.000 0.288 134 I C -0.608 175.690 176.117 0.302 0.000 0.999 134 I CA -0.902 60.519 61.300 0.201 0.000 1.163 134 I CB 0.942 38.985 38.000 0.071 0.000 1.316 134 I HN 0.215 nan 8.210 nan 0.000 0.454 135 Y N 5.586 126.041 120.300 0.258 0.000 2.299 135 Y HA 0.217 4.767 4.550 -0.000 0.000 0.326 135 Y C 0.173 176.323 175.900 0.416 0.000 1.164 135 Y CA -0.351 57.931 58.100 0.303 0.000 1.234 135 Y CB 0.939 39.600 38.460 0.334 0.000 1.219 135 Y HN 0.464 nan 8.280 nan 0.000 0.497 136 D N 6.248 126.571 120.400 -0.128 0.000 2.443 136 D HA 0.120 4.760 4.640 -0.000 0.000 0.221 136 D C 0.762 176.871 176.300 -0.319 0.000 1.097 136 D CA 0.015 53.989 54.000 -0.043 0.000 0.865 136 D CB 0.733 41.544 40.800 0.017 0.000 1.034 136 D HN 0.804 nan 8.370 nan 0.000 0.511 137 L N 3.078 124.180 121.223 -0.202 0.000 2.187 137 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 137 L C 1.885 178.632 176.870 -0.205 0.000 1.100 137 L CA 0.640 55.397 54.840 -0.139 0.000 0.765 137 L CB -0.353 41.634 42.059 -0.119 0.000 0.904 137 L HN 0.379 nan 8.230 nan 0.000 0.437 138 N N 1.676 120.214 118.700 -0.269 0.000 2.073 138 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 138 N C 1.468 176.884 175.510 -0.158 0.000 1.075 138 N CA 1.451 54.380 53.050 -0.202 0.000 0.866 138 N CB -0.534 37.828 38.487 -0.208 0.000 1.051 138 N HN 0.382 nan 8.380 nan 0.000 0.437 139 K N 1.843 122.156 120.400 -0.144 0.000 2.643 139 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 139 K C -0.449 176.054 176.600 -0.161 0.000 1.027 139 K CA 0.095 56.312 56.287 -0.117 0.000 1.033 139 K CB -0.238 32.217 32.500 -0.076 0.000 0.827 139 K HN 0.155 nan 8.250 nan 0.000 0.500 140 R N 0.456 120.808 120.500 -0.246 0.000 3.158 140 R HA -0.221 4.119 4.340 -0.000 0.000 0.244 140 R C -0.856 175.206 176.300 -0.397 0.000 0.900 140 R CA 0.706 56.614 56.100 -0.319 0.000 0.618 140 R CB -1.875 28.391 30.300 -0.057 0.000 1.061 140 R HN 0.553 nan 8.270 nan 0.000 0.471 141 Q N 0.146 119.549 119.800 -0.662 0.000 2.377 141 Q HA 0.538 4.878 4.340 -0.000 0.000 0.279 141 Q C -0.935 174.939 176.000 -0.210 0.000 1.049 141 Q CA -0.753 54.887 55.803 -0.271 0.000 0.825 141 Q CB 1.812 30.485 28.738 -0.108 0.000 1.401 141 Q HN 0.333 nan 8.270 nan 0.000 0.404 142 L N 3.050 124.366 121.223 0.155 0.000 2.397 142 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 142 L C -0.171 176.778 176.870 0.133 0.000 1.148 142 L CA -0.273 54.732 54.840 0.275 0.000 0.825 142 L CB 0.553 42.821 42.059 0.347 0.000 1.117 142 L HN 0.567 nan 8.230 nan 0.000 0.456 143 I N 1.988 122.629 120.570 0.119 0.000 2.325 143 I HA 0.051 4.221 4.170 -0.000 0.000 0.291 143 I C 1.168 177.315 176.117 0.050 0.000 1.019 143 I CA -0.034 61.300 61.300 0.058 0.000 1.302 143 I CB 1.468 39.478 38.000 0.018 0.000 1.401 143 I HN 0.737 nan 8.210 nan 0.000 0.485 144 T N 1.233 115.807 114.554 0.034 0.000 3.060 144 T HA 0.106 4.455 4.350 -0.000 0.000 0.249 144 T C 0.501 175.198 174.700 -0.006 0.000 1.079 144 T CA -0.237 61.877 62.100 0.023 0.000 1.013 144 T CB 0.031 68.915 68.868 0.027 0.000 0.975 144 T HN 0.645 nan 8.240 nan 0.000 0.518 145 E N 1.173 121.362 120.200 -0.019 0.000 2.221 145 E HA 0.280 4.630 4.350 -0.000 0.000 0.268 145 E C -0.650 175.913 176.600 -0.062 0.000 0.933 145 E CA -0.689 55.688 56.400 -0.038 0.000 0.809 145 E CB 1.027 30.709 29.700 -0.031 0.000 1.190 145 E HN 0.075 nan 8.360 nan 0.000 0.406 146 E N 0.107 120.259 120.200 -0.080 0.000 2.440 146 E HA -0.251 4.099 4.350 -0.000 0.000 0.246 146 E C 0.094 176.611 176.600 -0.138 0.000 1.165 146 E CA 1.110 57.444 56.400 -0.109 0.000 0.726 146 E CB -1.645 27.994 29.700 -0.101 0.000 1.271 146 E HN 0.744 nan 8.360 nan 0.000 0.397 147 R N 0.004 120.423 120.500 -0.135 0.000 2.694 147 R HA 0.402 4.742 4.340 -0.000 0.000 0.268 147 R C 0.738 176.876 176.300 -0.270 0.000 1.061 147 R CA -0.437 55.570 56.100 -0.155 0.000 1.133 147 R CB 0.497 30.742 30.300 -0.091 0.000 1.020 147 R HN 0.042 nan 8.270 nan 0.000 0.475 148 I N 3.063 123.430 120.570 -0.338 0.000 2.752 148 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 148 I C -1.676 174.128 176.117 -0.522 0.000 1.188 148 I CA -1.857 59.080 61.300 -0.605 0.000 1.427 148 I CB 0.430 38.030 38.000 -0.666 0.000 1.365 148 I HN 0.561 nan 8.210 nan 0.000 0.585 149 P HA 0.067 nan 4.420 nan 0.000 0.271 149 P C -0.776 176.305 177.300 -0.366 0.000 1.244 149 P CA -0.276 62.418 63.100 -0.677 0.000 0.793 149 P CB 0.407 31.246 31.700 -1.436 0.000 0.984 150 N N 1.188 119.775 118.700 -0.188 0.000 2.413 150 N HA 0.111 4.851 4.740 -0.000 0.000 0.266 150 N C 0.197 175.772 175.510 0.109 0.000 1.238 150 N CA -0.145 52.858 53.050 -0.078 0.000 0.972 150 N CB -0.282 38.164 38.487 -0.069 0.000 1.210 150 N HN 0.392 nan 8.380 nan 0.000 0.547 151 N N -1.011 117.729 118.700 0.068 0.000 2.721 151 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 151 N C -0.828 174.833 175.510 0.252 0.000 1.072 151 N CA 0.761 53.887 53.050 0.127 0.000 0.710 151 N CB -1.771 36.786 38.487 0.117 0.000 0.993 151 N HN 0.453 nan 8.380 nan 0.000 0.547 152 T N 0.740 115.440 114.554 0.244 0.000 2.884 152 T HA 0.163 4.513 4.350 -0.000 0.000 0.298 152 T C 1.706 176.533 174.700 0.211 0.000 0.998 152 T CA -0.106 62.149 62.100 0.258 0.000 1.124 152 T CB 1.364 70.267 68.868 0.058 0.000 0.931 152 T HN 0.181 nan 8.240 nan 0.000 0.531 153 Q N 1.624 121.540 119.800 0.194 0.000 2.302 153 Q HA 0.163 4.503 4.340 -0.000 0.000 0.202 153 Q C 0.074 176.202 176.000 0.213 0.000 0.936 153 Q CA 0.398 56.332 55.803 0.219 0.000 0.886 153 Q CB 0.836 29.683 28.738 0.183 0.000 0.986 153 Q HN 0.684 nan 8.270 nan 0.000 0.487 154 W N 0.316 121.543 121.300 -0.123 0.000 3.624 154 W HA 0.447 5.107 4.660 -0.000 0.000 0.312 154 W C -2.193 174.219 176.519 -0.178 0.000 1.203 154 W CA -0.662 56.575 57.345 -0.180 0.000 1.225 154 W CB 1.341 30.647 29.460 -0.257 0.000 1.321 154 W HN -0.362 nan 8.180 nan 0.000 0.506 155 V N 3.673 122.849 119.914 -1.230 0.000 2.735 155 V HA 0.733 4.853 4.120 -0.000 0.000 0.310 155 V C -0.374 175.091 176.094 -1.048 0.000 1.061 155 V CA -0.671 61.032 62.300 -0.995 0.000 0.913 155 V CB 1.803 32.913 31.823 -1.187 0.000 1.005 155 V HN 0.471 nan 8.190 nan 0.000 0.428 156 T N 3.135 117.376 114.554 -0.521 0.000 3.395 156 T HA 0.412 4.762 4.350 -0.000 0.000 0.330 156 T C -1.102 173.622 174.700 0.039 0.000 1.076 156 T CA -0.370 61.619 62.100 -0.185 0.000 1.070 156 T CB 0.432 69.405 68.868 0.175 0.000 1.119 156 T HN 0.524 nan 8.240 nan 0.000 0.462 157 W N 3.234 124.566 121.300 0.052 0.000 2.042 157 W HA 0.414 5.074 4.660 -0.000 0.000 0.358 157 W C 1.349 177.726 176.519 -0.236 0.000 1.325 157 W CA -0.354 56.978 57.345 -0.022 0.000 1.311 157 W CB 0.424 29.881 29.460 -0.005 0.000 1.210 157 W HN 0.774 nan 8.180 nan 0.000 0.620 158 S N 0.271 115.823 115.700 -0.247 0.000 2.632 158 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 158 S C -1.909 172.480 174.600 -0.352 0.000 1.276 158 S CA -1.125 56.489 58.200 -0.977 0.000 0.998 158 S CB 1.216 63.799 63.200 -1.029 0.000 0.953 158 S HN 0.232 nan 8.310 nan 0.000 0.547 159 P HA -0.031 nan 4.420 nan 0.000 0.225 159 P C 1.101 178.368 177.300 -0.055 0.000 1.148 159 P CA 0.899 63.959 63.100 -0.067 0.000 0.779 159 P CB -0.084 31.607 31.700 -0.015 0.000 0.780 160 V N -6.202 113.644 119.914 -0.115 0.000 3.177 160 V HA 0.421 4.541 4.120 -0.000 0.000 0.219 160 V C 1.712 177.743 176.094 -0.104 0.000 1.344 160 V CA 0.698 62.949 62.300 -0.081 0.000 1.324 160 V CB -1.087 30.697 31.823 -0.066 0.000 1.165 160 V HN 0.019 nan 8.190 nan 0.000 0.510 161 G N 1.635 110.345 108.800 -0.150 0.000 2.948 161 G HA2 0.165 4.125 3.960 -0.000 0.000 0.174 161 G HA3 0.165 4.125 3.960 -0.000 0.000 0.174 161 G C 0.757 175.605 174.900 -0.087 0.000 1.839 161 G CA 0.877 45.863 45.100 -0.190 0.000 0.908 161 G HN 1.086 nan 8.290 nan 0.000 0.419 162 H N -1.694 117.397 119.070 0.036 0.000 3.346 162 H HA 0.373 4.929 4.556 -0.000 0.000 0.253 162 H C -0.239 175.301 175.328 0.354 0.000 1.204 162 H CA -0.559 55.586 56.048 0.161 0.000 0.996 162 H CB -0.253 29.625 29.762 0.193 0.000 2.713 162 H HN 0.157 nan 8.280 nan 0.000 0.690 163 K N 1.652 122.235 120.400 0.305 0.000 2.180 163 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 163 K C -0.501 176.252 176.600 0.255 0.000 1.014 163 K CA -0.252 56.166 56.287 0.217 0.000 0.913 163 K CB 1.476 33.934 32.500 -0.069 0.000 1.008 163 K HN 0.160 nan 8.250 nan 0.000 0.490 164 L N 0.891 122.269 121.223 0.259 0.000 2.408 164 L HA 0.535 4.875 4.340 -0.000 0.000 0.268 164 L C -1.148 175.913 176.870 0.319 0.000 0.986 164 L CA -0.796 54.133 54.840 0.149 0.000 0.820 164 L CB 2.143 44.130 42.059 -0.120 0.000 1.303 164 L HN 0.719 nan 8.230 nan 0.000 0.411 165 A N 2.995 125.994 122.820 0.298 0.000 2.356 165 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 165 A C -1.650 175.961 177.584 0.046 0.000 1.075 165 A CA -0.366 51.743 52.037 0.120 0.000 0.746 165 A CB 1.293 20.312 19.000 0.032 0.000 1.221 165 A HN 0.645 nan 8.150 nan 0.000 0.443 166 Y N -0.560 119.695 120.300 -0.075 0.000 2.597 166 Y HA 0.759 5.309 4.550 -0.000 0.000 0.340 166 Y C -1.265 174.645 175.900 0.015 0.000 1.097 166 Y CA -1.553 56.474 58.100 -0.121 0.000 1.037 166 Y CB 0.930 39.238 38.460 -0.253 0.000 1.305 166 Y HN 0.428 nan 8.280 nan 0.000 0.463 167 V N 2.019 122.079 119.914 0.244 0.000 2.581 167 V HA 0.464 4.584 4.120 -0.000 0.000 0.303 167 V C -1.469 174.859 176.094 0.390 0.000 1.041 167 V CA -0.616 61.805 62.300 0.203 0.000 0.907 167 V CB 1.607 33.451 31.823 0.035 0.000 0.994 167 V HN 0.890 nan 8.190 nan 0.000 0.442 168 W N 4.763 126.164 121.300 0.168 0.000 3.326 168 W HA 0.444 5.104 4.660 -0.000 0.000 0.333 168 W C 0.011 176.580 176.519 0.083 0.000 1.108 168 W CA -0.707 56.696 57.345 0.096 0.000 1.245 168 W CB 1.069 30.542 29.460 0.022 0.000 1.331 168 W HN 0.785 nan 8.180 nan 0.000 0.464 169 N N 5.524 123.897 118.700 -0.545 0.000 2.758 169 N HA -0.327 4.413 4.740 -0.000 0.000 0.248 169 N C 0.192 175.548 175.510 -0.257 0.000 1.076 169 N CA 0.937 53.656 53.050 -0.550 0.000 0.696 169 N CB -1.191 36.777 38.487 -0.866 0.000 0.979 169 N HN 0.833 nan 8.380 nan 0.000 0.550 170 N N -1.854 116.751 118.700 -0.158 0.000 2.778 170 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 170 N C -1.252 174.177 175.510 -0.134 0.000 1.069 170 N CA 1.134 54.105 53.050 -0.132 0.000 0.831 170 N CB -0.364 37.999 38.487 -0.206 0.000 1.142 170 N HN 0.463 nan 8.380 nan 0.000 0.573 171 D N 0.532 120.877 120.400 -0.092 0.000 2.342 171 D HA 0.456 5.096 4.640 -0.000 0.000 0.243 171 D C 0.213 176.354 176.300 -0.265 0.000 1.019 171 D CA -0.393 53.470 54.000 -0.228 0.000 0.864 171 D CB 1.601 42.222 40.800 -0.299 0.000 1.315 171 D HN 0.031 nan 8.370 nan 0.000 0.468 172 I N 1.959 122.204 120.570 -0.542 0.000 2.365 172 I HA 0.189 4.358 4.170 -0.000 0.000 0.291 172 I C -0.691 174.949 176.117 -0.795 0.000 1.004 172 I CA -0.391 60.578 61.300 -0.551 0.000 1.311 172 I CB 0.434 38.053 38.000 -0.634 0.000 1.401 172 I HN 0.144 nan 8.210 nan 0.000 0.491 173 Y N 4.508 124.408 120.300 -0.666 0.000 2.462 173 Y HA 0.573 5.123 4.550 -0.000 0.000 0.346 173 Y C -0.207 175.327 175.900 -0.610 0.000 0.976 173 Y CA -0.927 56.722 58.100 -0.753 0.000 1.044 173 Y CB 1.984 39.684 38.460 -1.266 0.000 1.230 173 Y HN 0.132 nan 8.280 nan 0.000 0.455 174 V N 3.190 123.019 119.914 -0.142 0.000 2.555 174 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 174 V C -0.634 175.555 176.094 0.158 0.000 1.038 174 V CA -1.301 61.029 62.300 0.050 0.000 0.887 174 V CB 1.908 33.811 31.823 0.133 0.000 0.991 174 V HN 0.622 nan 8.190 nan 0.000 0.434 175 K N 4.049 124.560 120.400 0.185 0.000 2.575 175 K HA 0.516 4.836 4.320 -0.000 0.000 0.236 175 K C 0.573 177.290 176.600 0.195 0.000 0.976 175 K CA -0.402 55.967 56.287 0.137 0.000 0.985 175 K CB 1.328 33.880 32.500 0.087 0.000 1.198 175 K HN 0.597 nan 8.250 nan 0.000 0.464 176 I N 1.207 121.922 120.570 0.242 0.000 2.756 176 I HA -0.133 4.037 4.170 -0.000 0.000 0.262 176 I C 0.251 176.513 176.117 0.242 0.000 1.225 176 I CA 1.214 62.674 61.300 0.265 0.000 1.472 176 I CB 0.219 38.401 38.000 0.303 0.000 1.094 176 I HN 0.410 nan 8.210 nan 0.000 0.454 177 E N -0.652 119.627 120.200 0.132 0.000 2.290 177 E HA 0.234 4.584 4.350 -0.000 0.000 0.274 177 E C -1.949 174.583 176.600 -0.113 0.000 0.889 177 E CA -1.843 54.580 56.400 0.037 0.000 0.760 177 E CB 1.801 31.533 29.700 0.053 0.000 1.206 177 E HN -0.256 nan 8.360 nan 0.000 0.419 178 P HA -0.191 nan 4.420 nan 0.000 0.217 178 P C 0.689 177.850 177.300 -0.232 0.000 1.148 178 P CA 1.458 64.325 63.100 -0.390 0.000 0.834 178 P CB 0.312 31.457 31.700 -0.924 0.000 0.783 179 N N -2.321 116.277 118.700 -0.170 0.000 2.200 179 N HA 0.073 4.813 4.740 -0.000 0.000 0.224 179 N C -0.198 175.268 175.510 -0.074 0.000 1.179 179 N CA 0.055 53.046 53.050 -0.099 0.000 0.877 179 N CB -0.105 38.346 38.487 -0.059 0.000 1.072 179 N HN 0.039 nan 8.380 nan 0.000 0.519 180 L N 0.881 122.056 121.223 -0.079 0.000 2.358 180 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 180 L C -2.202 174.592 176.870 -0.127 0.000 1.032 180 L CA -2.179 52.611 54.840 -0.082 0.000 0.805 180 L CB 0.957 42.980 42.059 -0.061 0.000 1.253 180 L HN -0.127 nan 8.230 nan 0.000 0.452 181 P HA 0.035 nan 4.420 nan 0.000 0.265 181 P C -0.675 176.445 177.300 -0.299 0.000 1.193 181 P CA -0.041 62.945 63.100 -0.190 0.000 0.765 181 P CB 0.556 32.153 31.700 -0.171 0.000 0.823 182 S N 3.187 118.775 115.700 -0.187 0.000 2.549 182 S HA 0.199 4.669 4.470 -0.000 0.000 0.279 182 S C -0.720 173.786 174.600 -0.157 0.000 1.321 182 S CA -0.222 57.902 58.200 -0.127 0.000 1.054 182 S CB -0.298 62.925 63.200 0.039 0.000 0.899 182 S HN 0.158 nan 8.310 nan 0.000 0.497 183 Y N 3.077 123.389 120.300 0.020 0.000 2.304 183 Y HA 0.408 4.958 4.550 -0.000 0.000 0.328 183 Y C 1.144 176.962 175.900 -0.137 0.000 1.123 183 Y CA -0.599 57.491 58.100 -0.017 0.000 1.218 183 Y CB 0.675 39.127 38.460 -0.013 0.000 1.207 183 Y HN 0.486 nan 8.280 nan 0.000 0.495 184 R N 3.793 124.262 120.500 -0.052 0.000 2.202 184 R HA 0.217 4.557 4.340 -0.000 0.000 0.334 184 R C 0.204 176.267 176.300 -0.394 0.000 1.036 184 R CA -0.036 55.749 56.100 -0.525 0.000 0.878 184 R CB 0.586 30.398 30.300 -0.812 0.000 1.067 184 R HN 0.747 nan 8.270 nan 0.000 0.457 185 I N 1.157 121.407 120.570 -0.534 0.000 2.429 185 I HA -0.043 4.127 4.170 -0.000 0.000 0.247 185 I C 1.386 177.295 176.117 -0.347 0.000 1.099 185 I CA 1.121 62.214 61.300 -0.344 0.000 1.422 185 I CB -0.381 37.389 38.000 -0.384 0.000 1.112 185 I HN 0.406 nan 8.210 nan 0.000 0.430 186 T N -1.618 112.590 114.554 -0.576 0.000 2.912 186 T HA 0.317 4.667 4.350 -0.000 0.000 0.288 186 T C -0.846 173.554 174.700 -0.500 0.000 1.030 186 T CA -0.340 61.508 62.100 -0.420 0.000 1.020 186 T CB 1.236 69.811 68.868 -0.489 0.000 1.056 186 T HN 0.186 nan 8.240 nan 0.000 0.480 187 W N 1.144 122.313 121.300 -0.218 0.000 2.324 187 W HA 0.220 4.880 4.660 -0.000 0.000 0.316 187 W C 1.966 178.418 176.519 -0.112 0.000 0.927 187 W CA -0.055 57.203 57.345 -0.144 0.000 1.438 187 W CB 0.168 29.566 29.460 -0.103 0.000 1.085 187 W HN 0.819 nan 8.180 nan 0.000 0.532 188 T N -2.640 111.943 114.554 0.050 0.000 3.107 188 T HA 0.269 4.619 4.350 -0.000 0.000 0.249 188 T C 1.242 175.923 174.700 -0.031 0.000 1.096 188 T CA 0.223 62.334 62.100 0.018 0.000 1.012 188 T CB -0.168 68.704 68.868 0.007 0.000 0.977 188 T HN 0.003 nan 8.240 nan 0.000 0.527 189 G N 1.385 110.136 108.800 -0.082 0.000 2.265 189 G HA2 0.345 4.305 3.960 -0.000 0.000 0.240 189 G HA3 0.345 4.305 3.960 -0.000 0.000 0.240 189 G C -0.604 174.225 174.900 -0.118 0.000 1.270 189 G CA -0.359 44.669 45.100 -0.119 0.000 0.901 189 G HN 0.584 nan 8.290 nan 0.000 0.507 190 K N 1.969 122.280 120.400 -0.148 0.000 2.553 190 K HA 0.206 4.526 4.320 -0.000 0.000 0.250 190 K C -0.102 176.377 176.600 -0.201 0.000 0.953 190 K CA -0.705 55.498 56.287 -0.139 0.000 0.800 190 K CB 1.707 34.160 32.500 -0.078 0.000 1.243 190 K HN 0.590 nan 8.250 nan 0.000 0.435 191 E N 3.055 123.146 120.200 -0.182 0.000 2.708 191 E HA -0.162 4.187 4.350 -0.000 0.000 0.260 191 E C -0.564 175.953 176.600 -0.138 0.000 0.937 191 E CA 1.086 57.379 56.400 -0.177 0.000 0.953 191 E CB 0.247 29.876 29.700 -0.118 0.000 0.915 191 E HN 0.662 nan 8.360 nan 0.000 0.487 192 D N 2.829 123.144 120.400 -0.141 0.000 2.955 192 D HA -0.238 4.402 4.640 -0.000 0.000 0.226 192 D C 0.470 176.821 176.300 0.085 0.000 1.178 192 D CA 0.912 54.952 54.000 0.066 0.000 0.808 192 D CB -0.357 40.511 40.800 0.113 0.000 1.099 192 D HN 0.398 nan 8.370 nan 0.000 0.421 193 I N -1.096 119.426 120.570 -0.081 0.000 4.079 193 I HA 0.185 4.355 4.170 -0.000 0.000 0.276 193 I C 0.800 176.967 176.117 0.083 0.000 1.146 193 I CA 0.440 61.775 61.300 0.058 0.000 1.324 193 I CB 0.380 38.393 38.000 0.022 0.000 1.638 193 I HN -0.123 nan 8.210 nan 0.000 0.436 194 I N 1.457 121.962 120.570 -0.109 0.000 2.439 194 I HA 0.262 4.432 4.170 -0.000 0.000 0.283 194 I C -1.453 174.587 176.117 -0.128 0.000 1.023 194 I CA -0.569 60.735 61.300 0.006 0.000 1.100 194 I CB 1.720 39.729 38.000 0.015 0.000 1.238 194 I HN -0.059 nan 8.210 nan 0.000 0.445 195 Y N 4.916 125.301 120.300 0.142 0.000 2.331 195 Y HA 0.423 4.973 4.550 -0.000 0.000 0.338 195 Y C 0.217 176.153 175.900 0.060 0.000 0.976 195 Y CA -0.935 57.248 58.100 0.138 0.000 1.137 195 Y CB 0.870 39.512 38.460 0.303 0.000 1.172 195 Y HN 0.421 nan 8.280 nan 0.000 0.478 196 N N 2.114 120.845 118.700 0.051 0.000 2.443 196 N HA 0.352 5.092 4.740 -0.000 0.000 0.269 196 N C 0.709 176.111 175.510 -0.179 0.000 0.985 196 N CA 0.334 53.315 53.050 -0.115 0.000 0.921 196 N CB 1.893 40.205 38.487 -0.291 0.000 1.195 196 N HN 0.959 nan 8.380 nan 0.000 0.492 197 G N 1.638 110.345 108.800 -0.155 0.000 2.179 197 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 197 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 197 G C 0.101 174.850 174.900 -0.253 0.000 0.977 197 G CA 0.693 45.659 45.100 -0.223 0.000 0.641 197 G HN 0.642 nan 8.290 nan 0.000 0.533 198 I N -1.547 118.942 120.570 -0.136 0.000 2.865 198 I HA 0.798 4.968 4.170 -0.000 0.000 0.302 198 I C 0.290 176.472 176.117 0.108 0.000 1.140 198 I CA -0.663 60.477 61.300 -0.266 0.000 1.021 198 I CB 2.031 39.695 38.000 -0.560 0.000 1.233 198 I HN 0.164 nan 8.210 nan 0.000 0.427 199 T N -0.410 114.169 114.554 0.042 0.000 2.902 199 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 199 T C -0.338 174.250 174.700 -0.186 0.000 0.992 199 T CA -0.683 61.357 62.100 -0.101 0.000 1.015 199 T CB 1.339 70.193 68.868 -0.023 0.000 1.044 199 T HN 0.767 nan 8.240 nan 0.000 0.520 200 D N -0.072 119.937 120.400 -0.651 0.000 2.340 200 D HA 0.045 4.685 4.640 -0.000 0.000 0.251 200 D C 0.932 177.176 176.300 -0.094 0.000 1.080 200 D CA -1.079 52.550 54.000 -0.619 0.000 0.971 200 D CB 0.607 40.869 40.800 -0.897 0.000 1.137 200 D HN 0.735 nan 8.370 nan 0.000 0.475 201 W N 1.597 122.897 121.300 0.001 0.000 2.278 201 W HA -0.362 4.298 4.660 -0.000 0.000 0.339 201 W C 2.173 178.613 176.519 -0.132 0.000 1.348 201 W CA 3.362 60.693 57.345 -0.024 0.000 1.289 201 W CB -0.670 28.727 29.460 -0.106 0.000 1.124 201 W HN 0.280 nan 8.180 nan 0.000 0.469 202 V N -0.413 119.568 119.914 0.111 0.000 2.295 202 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 202 V C 1.977 177.896 176.094 -0.292 0.000 1.049 202 V CA 2.340 64.572 62.300 -0.113 0.000 1.024 202 V CB -0.863 30.907 31.823 -0.089 0.000 0.648 202 V HN 0.347 nan 8.190 nan 0.000 0.447 203 Y N 0.554 120.655 120.300 -0.331 0.000 2.333 203 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 203 Y C 2.599 178.378 175.900 -0.201 0.000 1.144 203 Y CA 2.052 59.945 58.100 -0.345 0.000 1.228 203 Y CB -0.045 38.072 38.460 -0.572 0.000 0.985 203 Y HN 0.423 nan 8.280 nan 0.000 0.542 204 E N 0.154 120.314 120.200 -0.065 0.000 2.107 204 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 204 E C 1.872 178.435 176.600 -0.062 0.000 0.982 204 E CA 1.347 57.744 56.400 -0.006 0.000 0.809 204 E CB 0.138 29.848 29.700 0.016 0.000 0.756 204 E HN 0.441 nan 8.360 nan 0.000 0.459 205 E N 0.110 120.104 120.200 -0.343 0.000 2.127 205 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 205 E C 1.704 178.182 176.600 -0.204 0.000 0.964 205 E CA 0.998 57.177 56.400 -0.368 0.000 0.832 205 E CB 0.196 29.319 29.700 -0.962 0.000 0.790 205 E HN 0.105 nan 8.360 nan 0.000 0.465 206 E N -0.313 119.736 120.200 -0.253 0.000 2.251 206 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 206 E C 1.860 178.327 176.600 -0.223 0.000 0.964 206 E CA 0.983 57.276 56.400 -0.179 0.000 0.868 206 E CB 0.689 30.265 29.700 -0.207 0.000 0.828 206 E HN 0.281 nan 8.360 nan 0.000 0.481 207 V N -1.394 118.324 119.914 -0.327 0.000 2.911 207 V HA 0.094 4.214 4.120 -0.000 0.000 0.237 207 V C 1.219 177.146 176.094 -0.279 0.000 1.156 207 V CA 0.431 62.489 62.300 -0.404 0.000 1.180 207 V CB -0.150 31.241 31.823 -0.721 0.000 0.932 207 V HN -0.016 nan 8.190 nan 0.000 0.483 208 F N 1.143 121.095 119.950 0.004 0.000 2.746 208 F HA 0.466 4.993 4.527 -0.000 0.000 0.297 208 F C 1.794 177.538 175.800 -0.094 0.000 1.113 208 F CA 0.544 58.559 58.000 0.024 0.000 1.367 208 F CB -0.376 38.686 39.000 0.104 0.000 1.111 208 F HN 0.222 nan 8.300 nan 0.000 0.590 209 S N 0.267 115.963 115.700 -0.007 0.000 3.521 209 S HA -0.056 4.414 4.470 -0.000 0.000 0.362 209 S C 0.004 174.101 174.600 -0.839 0.000 1.044 209 S CA 0.413 58.425 58.200 -0.313 0.000 1.091 209 S CB -1.305 61.802 63.200 -0.155 0.000 0.908 209 S HN 0.659 nan 8.310 nan 0.000 0.473 210 A N -0.370 122.219 122.820 -0.384 0.000 2.610 210 A HA 0.685 5.005 4.320 -0.000 0.000 0.291 210 A C -0.358 177.209 177.584 -0.029 0.000 1.086 210 A CA -0.279 51.593 52.037 -0.275 0.000 0.677 210 A CB 0.253 19.114 19.000 -0.232 0.000 1.278 210 A HN 0.471 nan 8.150 nan 0.000 0.414 211 Y N 1.064 121.218 120.300 -0.243 0.000 2.436 211 Y HA 0.237 4.787 4.550 -0.000 0.000 0.288 211 Y C 1.501 177.137 175.900 -0.440 0.000 1.112 211 Y CA 0.845 58.816 58.100 -0.217 0.000 1.220 211 Y CB 0.040 38.416 38.460 -0.141 0.000 1.073 211 Y HN 0.641 nan 8.280 nan 0.000 0.552 212 S N 0.973 116.165 115.700 -0.848 0.000 2.510 212 S HA 0.439 4.909 4.470 -0.000 0.000 0.279 212 S C 0.386 174.470 174.600 -0.861 0.000 1.284 212 S CA 0.124 57.590 58.200 -1.223 0.000 1.059 212 S CB 0.345 62.397 63.200 -1.913 0.000 0.901 212 S HN 0.409 nan 8.310 nan 0.000 0.491 213 A N 5.024 127.388 122.820 -0.759 0.000 2.911 213 A HA 0.535 4.855 4.320 -0.000 0.000 0.304 213 A C -0.627 176.266 177.584 -1.152 0.000 1.144 213 A CA -0.623 50.944 52.037 -0.783 0.000 0.988 213 A CB -0.536 18.398 19.000 -0.110 0.000 1.141 213 A HN 0.853 nan 8.150 nan 0.000 0.552 214 L N -5.018 115.337 121.223 -1.446 0.000 2.424 214 L HA 0.883 5.223 4.340 -0.000 0.000 0.258 214 L C -1.337 174.916 176.870 -1.029 0.000 0.995 214 L CA -1.552 52.686 54.840 -1.003 0.000 0.821 214 L CB 0.870 42.687 42.059 -0.404 0.000 1.383 214 L HN 0.230 nan 8.230 nan 0.000 0.410 215 W N 1.071 122.434 121.300 0.105 0.000 2.934 215 W HA 0.323 4.983 4.660 -0.000 0.000 0.333 215 W C -1.492 175.243 176.519 0.360 0.000 1.035 215 W CA -0.727 56.786 57.345 0.282 0.000 1.256 215 W CB 1.247 30.931 29.460 0.372 0.000 1.306 215 W HN 0.612 nan 8.180 nan 0.000 0.430 216 W N 2.097 123.586 121.300 0.315 0.000 2.079 216 W HA 0.245 4.905 4.660 -0.000 0.000 0.354 216 W C 1.249 177.527 176.519 -0.400 0.000 1.302 216 W CA 0.493 57.882 57.345 0.074 0.000 1.281 216 W CB 0.576 30.064 29.460 0.045 0.000 1.165 216 W HN 0.167 nan 8.180 nan 0.000 0.603 217 S N 1.257 116.652 115.700 -0.509 0.000 2.610 217 S HA 0.305 4.775 4.470 -0.000 0.000 0.273 217 S C -1.887 172.432 174.600 -0.468 0.000 1.274 217 S CA -1.166 56.160 58.200 -1.456 0.000 1.023 217 S CB 1.375 63.824 63.200 -1.252 0.000 0.962 217 S HN 0.234 nan 8.310 nan 0.000 0.523 218 P HA -0.294 nan 4.420 nan 0.000 0.218 218 P C 1.151 178.425 177.300 -0.043 0.000 1.132 218 P CA 2.194 65.256 63.100 -0.062 0.000 0.968 218 P CB -0.277 31.431 31.700 0.015 0.000 0.783 219 N N -1.490 117.186 118.700 -0.040 0.000 2.550 219 N HA 0.025 4.765 4.740 -0.000 0.000 0.186 219 N C 1.087 176.557 175.510 -0.067 0.000 1.110 219 N CA 1.319 54.348 53.050 -0.036 0.000 0.912 219 N CB -1.075 37.406 38.487 -0.011 0.000 0.968 219 N HN 0.345 nan 8.380 nan 0.000 0.448 220 G N -1.897 106.873 108.800 -0.050 0.000 2.132 220 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.228 220 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.228 220 G C 0.746 175.714 174.900 0.113 0.000 1.000 220 G CA 0.553 45.642 45.100 -0.019 0.000 0.693 220 G HN 0.383 nan 8.290 nan 0.000 0.515 221 T N -0.381 114.197 114.554 0.039 0.000 2.894 221 T HA 0.337 4.686 4.350 -0.000 0.000 0.258 221 T C 0.760 175.392 174.700 -0.113 0.000 1.043 221 T CA 0.935 62.979 62.100 -0.094 0.000 1.141 221 T CB -0.018 68.687 68.868 -0.273 0.000 0.873 221 T HN 0.261 nan 8.240 nan 0.000 0.449 222 F N 0.421 120.425 119.950 0.089 0.000 2.440 222 F HA 0.656 5.183 4.527 -0.000 0.000 0.328 222 F C -0.287 175.561 175.800 0.079 0.000 1.070 222 F CA -1.552 56.505 58.000 0.096 0.000 1.011 222 F CB 1.227 40.318 39.000 0.152 0.000 1.226 222 F HN -0.123 nan 8.300 nan 0.000 0.491 223 L N 2.390 123.752 121.223 0.232 0.000 2.406 223 L HA 0.774 5.114 4.340 -0.000 0.000 0.270 223 L C -0.819 176.106 176.870 0.091 0.000 0.982 223 L CA -0.384 54.397 54.840 -0.098 0.000 0.843 223 L CB 0.901 42.624 42.059 -0.558 0.000 1.225 223 L HN 0.648 nan 8.230 nan 0.000 0.412 224 A N 4.512 127.470 122.820 0.231 0.000 2.295 224 A HA 0.830 5.150 4.320 -0.000 0.000 0.318 224 A C -1.391 176.242 177.584 0.082 0.000 1.134 224 A CA -0.227 51.821 52.037 0.018 0.000 0.827 224 A CB 0.680 19.792 19.000 0.186 0.000 1.136 224 A HN 0.931 nan 8.150 nan 0.000 0.493 225 Y N -2.008 118.115 120.300 -0.295 0.000 2.592 225 Y HA 0.728 5.278 4.550 -0.000 0.000 0.334 225 Y C -0.364 175.431 175.900 -0.174 0.000 1.136 225 Y CA -0.818 57.191 58.100 -0.151 0.000 1.042 225 Y CB 0.791 39.118 38.460 -0.222 0.000 1.325 225 Y HN 0.934 nan 8.280 nan 0.000 0.457 226 A N 2.288 125.251 122.820 0.238 0.000 2.311 226 A HA 0.717 5.037 4.320 -0.000 0.000 0.334 226 A C -1.201 176.350 177.584 -0.055 0.000 1.139 226 A CA -0.859 51.215 52.037 0.061 0.000 0.830 226 A CB 1.829 20.820 19.000 -0.015 0.000 1.234 226 A HN 0.817 nan 8.150 nan 0.000 0.483 227 Q N 0.782 120.463 119.800 -0.198 0.000 2.304 227 Q HA 0.584 4.924 4.340 -0.000 0.000 0.270 227 Q C -2.105 173.694 176.000 -0.335 0.000 1.035 227 Q CA -0.360 55.382 55.803 -0.101 0.000 0.781 227 Q CB 1.119 29.999 28.738 0.236 0.000 1.261 227 Q HN 0.586 nan 8.270 nan 0.000 0.444 228 F N 2.162 122.233 119.950 0.202 0.000 2.443 228 F HA 0.420 4.947 4.527 -0.000 0.000 0.335 228 F C 0.466 176.440 175.800 0.290 0.000 1.104 228 F CA -0.886 57.212 58.000 0.164 0.000 1.013 228 F CB 1.373 40.374 39.000 0.001 0.000 1.136 228 F HN 0.432 nan 8.300 nan 0.000 0.470 229 N N 1.907 120.848 118.700 0.401 0.000 2.518 229 N HA 0.201 4.941 4.740 -0.000 0.000 0.254 229 N C -0.865 174.837 175.510 0.320 0.000 0.979 229 N CA -0.253 52.989 53.050 0.321 0.000 0.930 229 N CB 0.941 39.560 38.487 0.220 0.000 1.152 229 N HN 0.546 nan 8.380 nan 0.000 0.505 230 D N 1.387 122.006 120.400 0.364 0.000 2.388 230 D HA 0.132 4.772 4.640 -0.000 0.000 0.221 230 D C 1.230 177.662 176.300 0.221 0.000 1.133 230 D CA 0.146 54.333 54.000 0.311 0.000 0.831 230 D CB 0.561 41.615 40.800 0.424 0.000 0.962 230 D HN 0.453 nan 8.370 nan 0.000 0.502 231 T N 0.351 115.014 114.554 0.183 0.000 2.624 231 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 231 T C 1.188 175.952 174.700 0.107 0.000 1.041 231 T CA 1.295 63.471 62.100 0.127 0.000 1.159 231 T CB -0.035 68.896 68.868 0.106 0.000 0.863 231 T HN 0.285 nan 8.240 nan 0.000 0.434 232 E N 0.671 120.935 120.200 0.106 0.000 2.496 232 E HA 0.211 4.561 4.350 -0.000 0.000 0.202 232 E C -0.781 175.872 176.600 0.089 0.000 1.021 232 E CA -0.222 56.229 56.400 0.086 0.000 1.015 232 E CB 0.591 30.333 29.700 0.070 0.000 1.102 232 E HN 0.210 nan 8.360 nan 0.000 0.452 233 V N 3.001 122.982 119.914 0.111 0.000 2.461 233 V HA 0.153 4.273 4.120 -0.000 0.000 0.275 233 V C -1.935 174.217 176.094 0.098 0.000 1.047 233 V CA -1.715 60.653 62.300 0.112 0.000 0.955 233 V CB 0.693 32.601 31.823 0.142 0.000 0.988 233 V HN 0.093 nan 8.190 nan 0.000 0.471 234 P HA 0.210 nan 4.420 nan 0.000 0.270 234 P C -0.814 176.523 177.300 0.062 0.000 1.227 234 P CA -0.161 62.977 63.100 0.062 0.000 0.788 234 P CB 0.473 32.208 31.700 0.058 0.000 0.926 235 L N 1.439 122.675 121.223 0.022 0.000 2.322 235 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 235 L C 0.058 176.880 176.870 -0.080 0.000 1.014 235 L CA -1.054 53.783 54.840 -0.005 0.000 0.815 235 L CB 1.389 43.441 42.059 -0.011 0.000 1.247 235 L HN 0.275 nan 8.230 nan 0.000 0.421 236 I N 2.613 123.091 120.570 -0.154 0.000 2.396 236 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 236 I C -0.317 175.654 176.117 -0.243 0.000 0.999 236 I CA 0.167 61.270 61.300 -0.328 0.000 1.310 236 I CB 0.967 38.516 38.000 -0.751 0.000 1.404 236 I HN 0.574 nan 8.210 nan 0.000 0.496 237 E N 7.180 127.255 120.200 -0.209 0.000 2.266 237 E HA 0.587 4.937 4.350 -0.000 0.000 0.268 237 E C -1.796 174.747 176.600 -0.096 0.000 0.879 237 E CA -0.614 55.670 56.400 -0.194 0.000 0.762 237 E CB 2.258 31.864 29.700 -0.156 0.000 1.199 237 E HN 0.554 nan 8.360 nan 0.000 0.422 238 Y N -2.091 118.119 120.300 -0.150 0.000 2.641 238 Y HA 0.506 5.056 4.550 -0.000 0.000 0.333 238 Y C -0.954 174.874 175.900 -0.122 0.000 1.174 238 Y CA -1.226 56.792 58.100 -0.135 0.000 1.057 238 Y CB 0.788 39.177 38.460 -0.119 0.000 1.322 238 Y HN 0.242 nan 8.280 nan 0.000 0.457 239 S N 2.109 117.779 115.700 -0.050 0.000 2.565 239 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 239 S C -1.390 173.060 174.600 -0.249 0.000 1.309 239 S CA -0.396 57.637 58.200 -0.278 0.000 1.043 239 S CB 0.502 63.371 63.200 -0.552 0.000 0.939 239 S HN 0.534 nan 8.310 nan 0.000 0.504 240 F N 2.404 122.101 119.950 -0.422 0.000 2.493 240 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 240 F C -0.363 175.233 175.800 -0.340 0.000 1.126 240 F CA -0.930 56.933 58.000 -0.229 0.000 0.937 240 F CB 0.858 39.828 39.000 -0.050 0.000 1.146 240 F HN 0.646 nan 8.300 nan 0.000 0.442 241 Y N 2.779 122.816 120.300 -0.440 0.000 2.510 241 Y HA 0.168 4.718 4.550 -0.000 0.000 0.273 241 Y C 1.649 177.426 175.900 -0.205 0.000 1.119 241 Y CA 0.845 58.797 58.100 -0.247 0.000 1.286 241 Y CB -0.580 37.747 38.460 -0.221 0.000 1.061 241 Y HN 0.749 nan 8.280 nan 0.000 0.542 242 S N -0.018 115.508 115.700 -0.290 0.000 3.160 242 S HA -0.235 4.235 4.470 -0.000 0.000 0.634 242 S C -0.373 174.254 174.600 0.045 0.000 2.861 242 S CA 0.471 58.695 58.200 0.039 0.000 3.097 242 S CB -0.998 62.363 63.200 0.268 0.000 0.331 242 S HN 0.484 nan 8.310 nan 0.000 1.767 243 D N 1.614 122.069 120.400 0.091 0.000 2.400 243 D HA 0.109 4.749 4.640 -0.000 0.000 0.238 243 D C 1.389 177.715 176.300 0.045 0.000 1.157 243 D CA 0.475 54.511 54.000 0.060 0.000 0.889 243 D CB 0.259 41.098 40.800 0.064 0.000 1.199 243 D HN 0.644 nan 8.370 nan 0.000 0.436 244 E N 0.748 120.964 120.200 0.026 0.000 2.253 244 E HA -0.269 4.081 4.350 -0.000 0.000 0.202 244 E C 1.433 178.045 176.600 0.020 0.000 1.014 244 E CA 1.490 57.898 56.400 0.014 0.000 0.823 244 E CB 0.149 29.852 29.700 0.005 0.000 0.736 244 E HN 0.448 nan 8.360 nan 0.000 0.478 245 S N -0.132 115.587 115.700 0.031 0.000 2.515 245 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 245 S C 1.061 175.689 174.600 0.046 0.000 0.987 245 S CA -0.074 58.146 58.200 0.034 0.000 0.936 245 S CB -0.086 63.135 63.200 0.036 0.000 0.766 245 S HN 0.260 nan 8.310 nan 0.000 0.528 246 L N 2.431 123.690 121.223 0.060 0.000 2.407 246 L HA 0.174 4.514 4.340 -0.000 0.000 0.282 246 L C 1.574 178.487 176.870 0.071 0.000 1.110 246 L CA -0.145 54.743 54.840 0.080 0.000 0.863 246 L CB 0.810 42.929 42.059 0.100 0.000 1.207 246 L HN 0.384 nan 8.230 nan 0.000 0.454 247 Q N 3.862 123.712 119.800 0.085 0.000 2.020 247 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 247 Q C -0.522 175.443 176.000 -0.058 0.000 0.982 247 Q CA 1.643 57.460 55.803 0.024 0.000 0.838 247 Q CB 0.138 28.930 28.738 0.090 0.000 0.899 247 Q HN 0.573 nan 8.270 nan 0.000 0.423 248 Y N 0.404 120.713 120.300 0.015 0.000 2.331 248 Y HA 0.354 4.904 4.550 -0.000 0.000 0.338 248 Y C -2.023 173.879 175.900 0.003 0.000 0.992 248 Y CA -3.041 55.063 58.100 0.007 0.000 1.121 248 Y CB 1.078 39.534 38.460 -0.007 0.000 1.184 248 Y HN 0.149 nan 8.280 nan 0.000 0.469 249 P HA 0.081 nan 4.420 nan 0.000 0.269 249 P C -0.995 176.298 177.300 -0.010 0.000 1.209 249 P CA -0.532 62.565 63.100 -0.006 0.000 0.776 249 P CB 0.515 32.144 31.700 -0.119 0.000 0.876 250 K N 0.257 120.638 120.400 -0.032 0.000 2.164 250 K HA 0.510 4.830 4.320 -0.000 0.000 0.258 250 K C -0.869 175.674 176.600 -0.095 0.000 0.951 250 K CA -0.622 55.647 56.287 -0.031 0.000 0.844 250 K CB 0.710 33.214 32.500 0.008 0.000 1.099 250 K HN 0.187 nan 8.250 nan 0.000 0.435 251 T N 2.293 116.778 114.554 -0.115 0.000 2.749 251 T HA 0.172 4.522 4.350 -0.000 0.000 0.295 251 T C -0.232 174.333 174.700 -0.226 0.000 0.936 251 T CA -0.605 61.389 62.100 -0.175 0.000 1.060 251 T CB 0.848 69.630 68.868 -0.143 0.000 0.904 251 T HN 0.374 nan 8.240 nan 0.000 0.500 252 V N 6.401 126.079 119.914 -0.393 0.000 2.407 252 V HA 0.499 4.619 4.120 -0.000 0.000 0.278 252 V C 0.340 176.141 176.094 -0.488 0.000 1.037 252 V CA -0.762 61.259 62.300 -0.464 0.000 0.900 252 V CB 0.694 32.102 31.823 -0.691 0.000 0.983 252 V HN 0.789 nan 8.190 nan 0.000 0.459 253 R N 4.712 125.070 120.500 -0.237 0.000 2.513 253 R HA 0.810 5.150 4.340 -0.000 0.000 0.301 253 R C -1.417 174.870 176.300 -0.021 0.000 0.968 253 R CA -0.568 55.439 56.100 -0.156 0.000 0.872 253 R CB 1.781 32.014 30.300 -0.111 0.000 1.177 253 R HN 0.514 nan 8.270 nan 0.000 0.444 254 V N 0.344 120.263 119.914 0.009 0.000 2.876 254 V HA 0.625 4.745 4.120 -0.000 0.000 0.312 254 V C -2.857 173.302 176.094 0.109 0.000 1.085 254 V CA -2.642 59.741 62.300 0.138 0.000 0.945 254 V CB 2.665 34.647 31.823 0.266 0.000 1.017 254 V HN 0.595 nan 8.190 nan 0.000 0.428 255 P HA 0.268 nan 4.420 nan 0.000 0.270 255 P C -1.778 175.636 177.300 0.190 0.000 1.242 255 P CA 0.613 63.828 63.100 0.191 0.000 0.768 255 P CB -0.340 31.517 31.700 0.261 0.000 0.820 256 Y N 6.590 126.871 120.300 -0.033 0.000 2.332 256 Y HA 0.397 4.947 4.550 -0.000 0.000 0.325 256 Y C -2.675 173.205 175.900 -0.033 0.000 1.054 256 Y CA -2.716 55.319 58.100 -0.109 0.000 1.119 256 Y CB 2.010 40.291 38.460 -0.300 0.000 1.168 256 Y HN 0.287 nan 8.280 nan 0.000 0.439 257 P HA 0.262 nan 4.420 nan 0.000 0.291 257 P C -0.953 176.390 177.300 0.073 0.000 1.378 257 P CA -0.304 62.832 63.100 0.060 0.000 0.853 257 P CB 1.259 32.979 31.700 0.033 0.000 1.002 258 K N 2.011 122.543 120.400 0.219 0.000 2.132 258 K HA 0.440 4.760 4.320 -0.000 0.000 0.240 258 K C 0.668 177.375 176.600 0.178 0.000 1.036 258 K CA -0.625 55.818 56.287 0.259 0.000 0.888 258 K CB 0.443 33.113 32.500 0.284 0.000 1.071 258 K HN 0.437 nan 8.250 nan 0.000 0.502 259 A N 0.719 123.672 122.820 0.223 0.000 2.573 259 A HA 0.242 4.561 4.320 -0.000 0.000 0.250 259 A C 1.207 178.834 177.584 0.072 0.000 1.049 259 A CA 1.003 53.157 52.037 0.194 0.000 0.767 259 A CB -1.305 17.896 19.000 0.335 0.000 0.965 259 A HN 0.900 nan 8.150 nan 0.000 0.514 260 G N 1.006 109.839 108.800 0.055 0.000 2.184 260 G HA2 0.078 4.038 3.960 -0.000 0.000 0.264 260 G HA3 0.078 4.038 3.960 -0.000 0.000 0.264 260 G C 0.704 175.618 174.900 0.024 0.000 0.975 260 G CA 0.895 45.999 45.100 0.008 0.000 0.642 260 G HN 2.148 nan 8.290 nan 0.000 0.536 261 A N -0.545 122.305 122.820 0.051 0.000 2.250 261 A HA 0.766 5.086 4.320 -0.000 0.000 0.283 261 A C 0.845 178.461 177.584 0.053 0.000 1.206 261 A CA 0.305 52.374 52.037 0.054 0.000 0.840 261 A CB 0.543 19.589 19.000 0.077 0.000 1.220 261 A HN 1.134 nan 8.150 nan 0.000 0.505 262 V N 2.271 122.218 119.914 0.056 0.000 2.521 262 V HA 0.048 4.168 4.120 -0.000 0.000 0.286 262 V C 0.298 176.436 176.094 0.074 0.000 1.034 262 V CA -0.195 62.139 62.300 0.057 0.000 1.045 262 V CB -0.107 31.752 31.823 0.060 0.000 0.974 262 V HN 0.753 nan 8.190 nan 0.000 0.480 263 N N 6.379 125.120 118.700 0.069 0.000 2.493 263 N HA 0.465 5.205 4.740 -0.000 0.000 0.275 263 N C -2.242 173.347 175.510 0.133 0.000 1.186 263 N CA -1.408 51.702 53.050 0.100 0.000 0.978 263 N CB 1.304 39.839 38.487 0.081 0.000 1.184 263 N HN 0.405 nan 8.380 nan 0.000 0.487 264 P HA 0.149 nan 4.420 nan 0.000 0.274 264 P C -0.452 177.006 177.300 0.263 0.000 1.256 264 P CA -0.179 63.072 63.100 0.251 0.000 0.795 264 P CB 0.490 32.378 31.700 0.314 0.000 1.038 265 T N -2.876 111.828 114.554 0.250 0.000 2.949 265 T HA 0.637 4.987 4.350 -0.000 0.000 0.287 265 T C -0.382 174.468 174.700 0.251 0.000 1.034 265 T CA -0.845 61.368 62.100 0.188 0.000 1.018 265 T CB 1.411 70.354 68.868 0.126 0.000 1.135 265 T HN 0.360 nan 8.240 nan 0.000 0.532 266 V N -0.003 120.025 119.914 0.191 0.000 3.049 266 V HA 0.780 4.900 4.120 -0.000 0.000 0.309 266 V C -1.772 174.428 176.094 0.176 0.000 1.148 266 V CA -0.878 61.509 62.300 0.145 0.000 0.990 266 V CB 2.200 34.144 31.823 0.201 0.000 1.039 266 V HN 1.072 nan 8.190 nan 0.000 0.430 267 K N 4.098 124.551 120.400 0.089 0.000 2.502 267 K HA 0.546 4.866 4.320 -0.000 0.000 0.257 267 K C -1.960 174.607 176.600 -0.056 0.000 0.938 267 K CA -0.445 55.860 56.287 0.029 0.000 0.819 267 K CB 2.738 35.247 32.500 0.015 0.000 1.333 267 K HN 0.528 nan 8.250 nan 0.000 0.434 268 F N 2.385 122.097 119.950 -0.397 0.000 2.469 268 F HA 0.602 5.129 4.527 -0.000 0.000 0.332 268 F C -1.264 174.024 175.800 -0.853 0.000 1.103 268 F CA -0.699 57.042 58.000 -0.432 0.000 0.979 268 F CB 0.798 39.653 39.000 -0.243 0.000 1.137 268 F HN 0.394 nan 8.300 nan 0.000 0.463 269 F N 3.161 122.385 119.950 -1.210 0.000 2.629 269 F HA 0.767 5.294 4.527 -0.000 0.000 0.316 269 F C -1.019 174.071 175.800 -1.184 0.000 1.081 269 F CA -1.196 56.172 58.000 -1.052 0.000 0.954 269 F CB 2.064 40.365 39.000 -1.164 0.000 1.337 269 F HN 0.104 nan 8.300 nan 0.000 0.474 270 V N 2.221 121.859 119.914 -0.460 0.000 2.612 270 V HA 0.567 4.687 4.120 -0.000 0.000 0.301 270 V C -1.179 174.951 176.094 0.060 0.000 1.059 270 V CA -0.767 61.349 62.300 -0.306 0.000 0.886 270 V CB 1.800 33.258 31.823 -0.607 0.000 1.007 270 V HN 0.642 nan 8.190 nan 0.000 0.426 271 V N 4.124 124.141 119.914 0.173 0.000 2.815 271 V HA 0.578 4.698 4.120 -0.000 0.000 0.314 271 V C -0.194 176.089 176.094 0.314 0.000 1.064 271 V CA -0.613 61.825 62.300 0.231 0.000 0.952 271 V CB 2.100 34.015 31.823 0.154 0.000 1.020 271 V HN 1.000 nan 8.190 nan 0.000 0.439 272 N N 2.626 121.449 118.700 0.205 0.000 2.500 272 N HA 0.200 4.940 4.740 -0.000 0.000 0.236 272 N C 0.975 176.457 175.510 -0.046 0.000 1.022 272 N CA 0.230 53.282 53.050 0.003 0.000 0.935 272 N CB 1.055 39.498 38.487 -0.075 0.000 1.147 272 N HN 0.902 nan 8.380 nan 0.000 0.512 273 T N -0.307 114.238 114.554 -0.016 0.000 3.228 273 T HA -0.011 4.339 4.350 -0.000 0.000 0.261 273 T C 0.205 174.895 174.700 -0.016 0.000 1.171 273 T CA 0.525 62.643 62.100 0.030 0.000 1.056 273 T CB -0.022 68.992 68.868 0.244 0.000 0.938 273 T HN 0.401 nan 8.240 nan 0.000 0.539 274 D N 0.253 120.603 120.400 -0.083 0.000 2.433 274 D HA 0.211 4.851 4.640 -0.000 0.000 0.211 274 D C 1.125 177.376 176.300 -0.082 0.000 1.114 274 D CA 0.051 54.006 54.000 -0.075 0.000 0.837 274 D CB 0.663 41.405 40.800 -0.097 0.000 0.984 274 D HN 0.450 nan 8.370 nan 0.000 0.505 275 S N 0.083 115.723 115.700 -0.100 0.000 2.603 275 S HA 0.154 4.624 4.470 -0.000 0.000 0.232 275 S C 0.972 175.495 174.600 -0.129 0.000 1.016 275 S CA -0.456 57.696 58.200 -0.080 0.000 0.976 275 S CB 0.585 63.763 63.200 -0.037 0.000 0.921 275 S HN 0.253 nan 8.310 nan 0.000 0.516 276 L N 2.048 123.123 121.223 -0.248 0.000 2.462 276 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 276 L C 1.002 177.597 176.870 -0.459 0.000 1.166 276 L CA -0.349 54.234 54.840 -0.430 0.000 0.880 276 L CB 0.159 41.767 42.059 -0.751 0.000 1.142 276 L HN 0.169 nan 8.230 nan 0.000 0.473 277 S N 2.640 118.217 115.700 -0.204 0.000 2.291 277 S HA 0.117 4.587 4.470 -0.000 0.000 0.185 277 S C 1.041 175.791 174.600 0.250 0.000 0.996 277 S CA 0.685 58.885 58.200 0.001 0.000 0.997 277 S CB -0.036 63.187 63.200 0.039 0.000 0.899 277 S HN 1.240 nan 8.310 nan 0.000 0.493 278 S N -1.903 113.955 115.700 0.262 0.000 4.661 278 S HA -0.046 4.424 4.470 -0.000 0.000 0.046 278 S C 0.633 175.345 174.600 0.187 0.000 0.866 278 S CA 0.299 58.696 58.200 0.329 0.000 0.920 278 S CB -1.258 62.117 63.200 0.291 0.000 0.374 278 S HN 0.534 nan 8.310 nan 0.000 0.801 279 V N 1.629 121.625 119.914 0.137 0.000 3.013 279 V HA 0.358 4.478 4.120 -0.000 0.000 0.238 279 V C 1.016 177.155 176.094 0.074 0.000 1.161 279 V CA 1.447 63.802 62.300 0.092 0.000 1.170 279 V CB 0.609 32.473 31.823 0.068 0.000 0.917 279 V HN 0.567 nan 8.190 nan 0.000 0.478 280 T N 1.635 116.230 114.554 0.069 0.000 2.909 280 T HA 0.330 4.680 4.350 -0.000 0.000 0.286 280 T C -0.149 174.591 174.700 0.067 0.000 1.002 280 T CA -0.255 61.871 62.100 0.045 0.000 1.074 280 T CB 0.740 69.626 68.868 0.029 0.000 0.984 280 T HN 0.145 nan 8.240 nan 0.000 0.495 281 N N 2.170 120.897 118.700 0.045 0.000 2.430 281 N HA 0.415 5.155 4.740 -0.000 0.000 0.265 281 N C 0.209 175.766 175.510 0.077 0.000 1.100 281 N CA -0.264 52.841 53.050 0.091 0.000 0.961 281 N CB 0.870 39.355 38.487 -0.003 0.000 1.075 281 N HN 0.833 nan 8.380 nan 0.000 0.478 282 A N 2.319 125.194 122.820 0.091 0.000 2.639 282 A HA 0.061 4.381 4.320 -0.000 0.000 0.229 282 A C 0.263 177.882 177.584 0.059 0.000 1.062 282 A CA 0.454 52.518 52.037 0.044 0.000 0.761 282 A CB -0.102 18.909 19.000 0.018 0.000 0.988 282 A HN 0.560 nan 8.150 nan 0.000 0.510 283 T N 2.140 116.731 114.554 0.063 0.000 2.779 283 T HA 0.490 4.840 4.350 -0.000 0.000 0.280 283 T C -0.192 174.578 174.700 0.118 0.000 0.987 283 T CA -0.230 61.921 62.100 0.085 0.000 0.966 283 T CB 1.136 70.060 68.868 0.093 0.000 0.933 283 T HN 0.538 nan 8.240 nan 0.000 0.442 284 S N 3.155 118.926 115.700 0.117 0.000 2.461 284 S HA 0.394 4.864 4.470 -0.000 0.000 0.322 284 S C 0.023 174.769 174.600 0.243 0.000 1.063 284 S CA -0.687 57.604 58.200 0.152 0.000 1.120 284 S CB -0.013 63.219 63.200 0.054 0.000 0.968 284 S HN 0.475 nan 8.310 nan 0.000 0.467 285 I N 3.352 124.068 120.570 0.242 0.000 2.452 285 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 285 I C 0.693 176.916 176.117 0.176 0.000 1.079 285 I CA 0.249 61.702 61.300 0.255 0.000 1.387 285 I CB 0.534 38.751 38.000 0.361 0.000 1.404 285 I HN 0.566 nan 8.210 nan 0.000 0.522 286 Q N 6.927 126.810 119.800 0.139 0.000 2.322 286 Q HA 0.392 4.732 4.340 -0.000 0.000 0.256 286 Q C -0.749 175.155 176.000 -0.159 0.000 0.960 286 Q CA -0.479 55.200 55.803 -0.207 0.000 0.934 286 Q CB 0.751 29.300 28.738 -0.315 0.000 1.200 286 Q HN 0.543 nan 8.270 nan 0.000 0.435 287 I N 4.022 124.480 120.570 -0.185 0.000 2.395 287 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 287 I C 0.889 176.982 176.117 -0.040 0.000 1.023 287 I CA -0.055 61.223 61.300 -0.037 0.000 1.350 287 I CB 1.252 39.277 38.000 0.041 0.000 1.409 287 I HN 0.753 nan 8.210 nan 0.000 0.507 288 T N 2.878 117.395 114.554 -0.062 0.000 2.572 288 T HA 0.824 5.173 4.350 -0.000 0.000 0.244 288 T C 0.428 174.950 174.700 -0.296 0.000 0.860 288 T CA 0.175 62.184 62.100 -0.151 0.000 1.125 288 T CB 1.093 69.870 68.868 -0.150 0.000 1.491 288 T HN 0.997 nan 8.240 nan 0.000 0.532 289 A N 0.901 123.476 122.820 -0.409 0.000 6.069 289 A HA -0.003 4.317 4.320 -0.000 0.000 0.278 289 A C -2.384 174.627 177.584 -0.955 0.000 2.017 289 A CA 0.394 52.119 52.037 -0.520 0.000 0.717 289 A CB -2.889 15.927 19.000 -0.307 0.000 1.159 289 A HN 0.905 nan 8.150 nan 0.000 0.378 290 P HA 0.442 nan 4.420 nan 0.000 0.274 290 P C 1.038 178.134 177.300 -0.340 0.000 1.260 290 P CA 0.658 63.526 63.100 -0.387 0.000 0.793 290 P CB 0.366 31.912 31.700 -0.257 0.000 1.048 291 A N 0.660 123.352 122.820 -0.212 0.000 1.873 291 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 291 A C 2.100 179.578 177.584 -0.177 0.000 1.186 291 A CA 2.178 54.107 52.037 -0.180 0.000 0.616 291 A CB -1.937 16.991 19.000 -0.120 0.000 0.823 291 A HN 0.597 nan 8.150 nan 0.000 0.442 292 S N -1.557 114.063 115.700 -0.133 0.000 2.493 292 S HA -0.119 4.351 4.470 -0.000 0.000 0.243 292 S C 1.682 176.194 174.600 -0.146 0.000 0.991 292 S CA 1.788 59.919 58.200 -0.116 0.000 0.957 292 S CB -0.285 62.910 63.200 -0.008 0.000 0.756 292 S HN 0.422 nan 8.310 nan 0.000 0.521 293 M N 0.550 120.015 119.600 -0.225 0.000 2.691 293 M HA 0.450 4.930 4.480 -0.000 0.000 0.261 293 M C 1.741 177.759 176.300 -0.469 0.000 1.227 293 M CA 0.730 55.844 55.300 -0.310 0.000 1.197 293 M CB -0.172 32.165 32.600 -0.438 0.000 1.294 293 M HN 0.210 nan 8.290 nan 0.000 0.508 294 L N 0.800 121.713 121.223 -0.518 0.000 2.189 294 L HA -0.206 4.133 4.340 -0.000 0.000 0.214 294 L C 2.183 178.943 176.870 -0.183 0.000 1.097 294 L CA 1.221 55.820 54.840 -0.401 0.000 0.764 294 L CB -1.102 40.773 42.059 -0.307 0.000 0.900 294 L HN 0.468 nan 8.230 nan 0.000 0.436 295 I N -2.416 118.061 120.570 -0.155 0.000 2.953 295 I HA 0.023 4.193 4.170 -0.000 0.000 0.271 295 I C 0.943 177.028 176.117 -0.053 0.000 1.286 295 I CA 0.851 62.094 61.300 -0.094 0.000 1.449 295 I CB -0.624 37.317 38.000 -0.099 0.000 1.086 295 I HN 0.148 nan 8.210 nan 0.000 0.483 296 G N 0.038 108.825 108.800 -0.022 0.000 2.554 296 G HA2 0.219 4.179 3.960 -0.000 0.000 0.306 296 G HA3 0.219 4.179 3.960 -0.000 0.000 0.306 296 G C -1.866 173.104 174.900 0.116 0.000 1.320 296 G CA -0.659 44.454 45.100 0.021 0.000 0.800 296 G HN 0.070 nan 8.290 nan 0.000 0.481 297 D N 1.453 121.871 120.400 0.031 0.000 2.493 297 D HA 0.416 5.055 4.640 -0.000 0.000 0.240 297 D C 0.480 176.734 176.300 -0.078 0.000 1.142 297 D CA 0.821 54.786 54.000 -0.058 0.000 0.872 297 D CB 0.337 41.057 40.800 -0.134 0.000 1.173 297 D HN 0.538 nan 8.370 nan 0.000 0.467 298 H N -0.363 118.571 119.070 -0.225 0.000 2.942 298 H HA 0.506 5.062 4.556 -0.000 0.000 0.316 298 H C -1.278 173.935 175.328 -0.192 0.000 1.323 298 H CA -0.823 55.102 56.048 -0.205 0.000 1.144 298 H CB 0.388 30.155 29.762 0.008 0.000 1.866 298 H HN 0.308 nan 8.280 nan 0.000 0.545 299 Y N -0.237 120.241 120.300 0.296 0.000 2.581 299 Y HA 0.403 4.953 4.550 -0.000 0.000 0.345 299 Y C -0.538 175.609 175.900 0.411 0.000 1.036 299 Y CA -1.173 57.104 58.100 0.295 0.000 1.042 299 Y CB 2.010 40.495 38.460 0.042 0.000 1.289 299 Y HN 0.483 nan 8.280 nan 0.000 0.471 300 L N 2.855 124.399 121.223 0.536 0.000 2.255 300 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 300 L C 0.356 177.219 176.870 -0.012 0.000 1.046 300 L CA -0.373 54.463 54.840 -0.006 0.000 0.816 300 L CB 0.347 42.330 42.059 -0.127 0.000 1.197 300 L HN 0.977 nan 8.230 nan 0.000 0.427 301 C N 1.275 120.475 119.300 -0.168 0.000 3.065 301 C HA 0.487 4.947 4.460 -0.000 0.000 0.285 301 C C 0.286 175.195 174.990 -0.135 0.000 1.257 301 C CA -0.308 58.572 59.018 -0.230 0.000 1.691 301 C CB -0.762 26.892 27.740 -0.142 0.000 2.089 301 C HN 0.861 nan 8.230 nan 0.000 0.630 302 D N 0.281 120.583 120.400 -0.163 0.000 2.787 302 D HA 0.327 4.967 4.640 -0.000 0.000 0.215 302 D C -1.680 174.331 176.300 -0.481 0.000 1.246 302 D CA 0.083 53.992 54.000 -0.152 0.000 0.798 302 D CB 2.529 43.237 40.800 -0.155 0.000 1.649 302 D HN 0.368 nan 8.370 nan 0.000 0.507 303 V N 1.611 121.137 119.914 -0.647 0.000 2.482 303 V HA 0.763 4.882 4.120 -0.000 0.000 0.295 303 V C -1.437 174.203 176.094 -0.756 0.000 1.026 303 V CA 0.035 61.727 62.300 -1.013 0.000 0.856 303 V CB 1.610 32.392 31.823 -1.735 0.000 1.001 303 V HN 0.548 nan 8.190 nan 0.000 0.424 304 T N 6.470 120.692 114.554 -0.554 0.000 2.881 304 T HA 0.444 4.793 4.350 -0.000 0.000 0.291 304 T C -0.937 173.573 174.700 -0.318 0.000 0.990 304 T CA -0.097 61.831 62.100 -0.286 0.000 0.976 304 T CB 0.940 69.731 68.868 -0.128 0.000 0.970 304 T HN 0.787 nan 8.240 nan 0.000 0.438 305 W N 2.182 123.368 121.300 -0.190 0.000 2.253 305 W HA 0.471 5.130 4.660 -0.000 0.000 0.322 305 W C 1.143 177.467 176.519 -0.326 0.000 1.342 305 W CA -0.406 56.822 57.345 -0.195 0.000 1.218 305 W CB 0.598 30.042 29.460 -0.027 0.000 1.205 305 W HN 0.851 nan 8.180 nan 0.000 0.551 306 A N 2.243 124.883 122.820 -0.299 0.000 1.924 306 A HA 0.200 4.520 4.320 -0.000 0.000 0.211 306 A C 0.875 178.399 177.584 -0.101 0.000 1.198 306 A CA 1.605 53.227 52.037 -0.692 0.000 0.657 306 A CB -0.315 17.962 19.000 -1.205 0.000 0.852 306 A HN 0.543 nan 8.150 nan 0.000 0.454 307 T N -5.857 108.761 114.554 0.107 0.000 2.645 307 T HA 0.310 4.660 4.350 -0.000 0.000 0.300 307 T C 0.005 174.872 174.700 0.280 0.000 1.210 307 T CA -0.382 61.826 62.100 0.180 0.000 1.034 307 T CB 0.562 69.525 68.868 0.158 0.000 1.537 307 T HN -0.051 nan 8.240 nan 0.000 0.492 308 Q N 0.299 120.232 119.800 0.221 0.000 2.297 308 Q HA -0.005 4.334 4.340 -0.000 0.000 0.208 308 Q C 0.567 176.820 176.000 0.422 0.000 0.981 308 Q CA 1.486 57.429 55.803 0.234 0.000 0.876 308 Q CB -0.163 28.681 28.738 0.176 0.000 0.921 308 Q HN 0.821 nan 8.270 nan 0.000 0.446 309 E N -0.422 120.040 120.200 0.437 0.000 3.191 309 E HA 0.231 4.581 4.350 -0.000 0.000 0.192 309 E C -0.467 176.436 176.600 0.505 0.000 0.972 309 E CA -0.133 56.566 56.400 0.498 0.000 1.266 309 E CB 1.067 30.966 29.700 0.332 0.000 1.076 309 E HN -0.059 nan 8.360 nan 0.000 0.462 310 R N 1.436 122.255 120.500 0.532 0.000 2.584 310 R HA 0.559 4.899 4.340 -0.000 0.000 0.276 310 R C -1.910 174.432 176.300 0.070 0.000 1.046 310 R CA -0.546 55.734 56.100 0.300 0.000 0.906 310 R CB 1.632 32.002 30.300 0.116 0.000 1.215 310 R HN 0.159 nan 8.270 nan 0.000 0.449 311 I N 2.656 123.079 120.570 -0.245 0.000 2.656 311 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 311 I C -0.877 174.917 176.117 -0.539 0.000 1.144 311 I CA -0.428 60.456 61.300 -0.693 0.000 1.038 311 I CB 2.362 39.463 38.000 -1.498 0.000 1.244 311 I HN 0.806 nan 8.210 nan 0.000 0.420 312 S N 7.147 122.521 115.700 -0.544 0.000 2.565 312 S HA 0.805 5.275 4.470 -0.000 0.000 0.290 312 S C -0.955 173.323 174.600 -0.536 0.000 1.150 312 S CA -0.728 57.238 58.200 -0.389 0.000 1.058 312 S CB 2.062 65.139 63.200 -0.204 0.000 1.032 312 S HN 0.429 nan 8.310 nan 0.000 0.510 313 L N 1.521 122.466 121.223 -0.464 0.000 2.408 313 L HA 0.521 4.861 4.340 -0.000 0.000 0.268 313 L C -0.486 176.100 176.870 -0.473 0.000 0.986 313 L CA -0.178 54.273 54.840 -0.648 0.000 0.820 313 L CB 2.044 43.710 42.059 -0.655 0.000 1.303 313 L HN 0.847 nan 8.230 nan 0.000 0.411 314 Q N 2.208 121.665 119.800 -0.571 0.000 2.333 314 Q HA 0.444 4.784 4.340 -0.000 0.000 0.268 314 Q C -1.761 174.027 176.000 -0.353 0.000 1.007 314 Q CA -0.482 55.128 55.803 -0.323 0.000 0.810 314 Q CB 1.816 30.413 28.738 -0.235 0.000 1.264 314 Q HN 0.518 nan 8.270 nan 0.000 0.452 315 W N 3.205 124.472 121.300 -0.054 0.000 2.606 315 W HA 0.575 5.235 4.660 -0.000 0.000 0.332 315 W C -0.819 175.747 176.519 0.079 0.000 1.052 315 W CA -0.651 56.713 57.345 0.033 0.000 1.223 315 W CB 1.011 30.486 29.460 0.024 0.000 1.383 315 W HN 0.391 nan 8.180 nan 0.000 0.524 316 L N 3.101 124.556 121.223 0.387 0.000 2.362 316 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 316 L C 0.040 177.117 176.870 0.345 0.000 0.998 316 L CA -1.017 54.015 54.840 0.320 0.000 0.820 316 L CB 1.201 43.417 42.059 0.262 0.000 1.270 316 L HN 0.421 nan 8.230 nan 0.000 0.415 317 R N 2.097 122.754 120.500 0.261 0.000 2.679 317 R HA 0.220 4.560 4.340 -0.000 0.000 0.269 317 R C 1.120 177.474 176.300 0.088 0.000 1.076 317 R CA 0.095 56.287 56.100 0.153 0.000 1.160 317 R CB 0.513 30.885 30.300 0.121 0.000 1.054 317 R HN 0.666 nan 8.270 nan 0.000 0.507 318 R N 1.179 121.628 120.500 -0.084 0.000 2.127 318 R HA -0.061 4.279 4.340 -0.000 0.000 0.238 318 R C 0.317 176.669 176.300 0.087 0.000 1.134 318 R CA 1.136 57.168 56.100 -0.113 0.000 0.975 318 R CB 0.166 30.366 30.300 -0.167 0.000 0.865 318 R HN 0.374 nan 8.270 nan 0.000 0.447 319 I N 2.964 123.571 120.570 0.062 0.000 2.260 319 I HA 0.002 4.172 4.170 -0.000 0.000 0.297 319 I C 0.246 176.427 176.117 0.105 0.000 1.143 319 I CA 0.366 61.708 61.300 0.070 0.000 1.271 319 I CB 0.800 38.827 38.000 0.045 0.000 1.461 319 I HN 0.304 nan 8.210 nan 0.000 0.530 320 Q N 3.212 123.081 119.800 0.114 0.000 2.430 320 Q HA -0.113 4.227 4.340 -0.000 0.000 0.194 320 Q C 1.040 177.117 176.000 0.129 0.000 0.895 320 Q CA 0.116 55.997 55.803 0.130 0.000 1.034 320 Q CB -0.132 28.650 28.738 0.074 0.000 1.061 320 Q HN 0.490 nan 8.270 nan 0.000 0.518 321 N N -0.219 118.556 118.700 0.125 0.000 2.207 321 N HA -0.077 4.663 4.740 -0.000 0.000 0.182 321 N C -0.566 175.047 175.510 0.172 0.000 1.020 321 N CA 0.896 54.015 53.050 0.115 0.000 0.858 321 N CB 0.277 38.828 38.487 0.106 0.000 0.991 321 N HN 0.303 nan 8.380 nan 0.000 0.427 322 Y N 0.340 120.665 120.300 0.042 0.000 2.376 322 Y HA 0.454 5.004 4.550 -0.000 0.000 0.340 322 Y C -0.753 175.187 175.900 0.066 0.000 0.965 322 Y CA -1.167 56.959 58.100 0.044 0.000 1.078 322 Y CB 1.287 39.765 38.460 0.029 0.000 1.193 322 Y HN -0.078 nan 8.280 nan 0.000 0.452 323 S N 4.506 120.153 115.700 -0.088 0.000 2.541 323 S HA 0.861 5.331 4.470 -0.000 0.000 0.280 323 S C -1.888 172.631 174.600 -0.135 0.000 1.112 323 S CA -0.768 57.432 58.200 0.001 0.000 0.925 323 S CB 1.602 64.815 63.200 0.022 0.000 1.067 323 S HN 0.464 nan 8.310 nan 0.000 0.479 324 V N 3.645 123.577 119.914 0.030 0.000 2.680 324 V HA 0.579 4.699 4.120 -0.000 0.000 0.309 324 V C -0.331 175.814 176.094 0.085 0.000 1.052 324 V CA -0.741 61.573 62.300 0.023 0.000 0.908 324 V CB 1.889 33.764 31.823 0.086 0.000 1.001 324 V HN 1.033 nan 8.190 nan 0.000 0.431 325 M N 3.535 123.159 119.600 0.040 0.000 2.268 325 M HA 0.539 5.019 4.480 -0.000 0.000 0.344 325 M C -1.425 174.910 176.300 0.059 0.000 1.106 325 M CA -0.330 54.976 55.300 0.010 0.000 1.010 325 M CB 1.393 33.946 32.600 -0.079 0.000 1.649 325 M HN 0.597 nan 8.290 nan 0.000 0.443 326 D N 4.751 125.173 120.400 0.038 0.000 2.350 326 D HA 0.505 5.145 4.640 -0.000 0.000 0.245 326 D C -1.090 175.203 176.300 -0.013 0.000 1.036 326 D CA -0.127 53.898 54.000 0.040 0.000 0.848 326 D CB 2.058 42.904 40.800 0.076 0.000 1.307 326 D HN 0.614 nan 8.370 nan 0.000 0.469 327 I N 2.700 123.289 120.570 0.032 0.000 2.405 327 I HA 0.237 4.407 4.170 -0.000 0.000 0.280 327 I C -0.476 175.661 176.117 0.033 0.000 1.027 327 I CA -0.564 60.755 61.300 0.030 0.000 1.161 327 I CB 0.974 39.054 38.000 0.133 0.000 1.300 327 I HN 0.144 nan 8.210 nan 0.000 0.463 328 c N 4.087 122.684 118.600 -0.004 0.000 2.295 328 c HA 0.469 5.039 4.570 -0.000 0.000 0.331 328 c C 0.119 174.369 174.090 0.267 0.000 1.280 328 c CA -0.738 55.654 56.329 0.105 0.000 1.746 328 c CB 0.369 42.923 42.510 0.075 0.000 2.328 328 c HN 0.635 nan 8.230 nan 0.000 0.521 329 D N 0.285 120.843 120.400 0.264 0.000 2.228 329 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 329 D C -0.596 175.743 176.300 0.065 0.000 0.995 329 D CA -0.281 53.854 54.000 0.225 0.000 0.903 329 D CB 0.739 41.596 40.800 0.095 0.000 1.205 329 D HN 0.585 nan 8.370 nan 0.000 0.459 330 Y N 1.166 121.142 120.300 -0.541 0.000 2.336 330 Y HA 0.215 4.765 4.550 -0.000 0.000 0.331 330 Y C -0.223 175.390 175.900 -0.478 0.000 1.211 330 Y CA -0.559 56.854 58.100 -1.145 0.000 1.346 330 Y CB 0.907 38.572 38.460 -1.326 0.000 1.271 330 Y HN 0.242 nan 8.280 nan 0.000 0.538 331 D N 4.761 124.579 120.400 -0.970 0.000 2.485 331 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 331 D C 0.882 176.587 176.300 -0.993 0.000 1.101 331 D CA -0.084 53.494 54.000 -0.703 0.000 0.906 331 D CB 0.671 41.249 40.800 -0.370 0.000 1.019 331 D HN 0.808 nan 8.370 nan 0.000 0.516 332 E N 1.621 121.334 120.200 -0.811 0.000 2.132 332 E HA -0.226 4.124 4.350 -0.000 0.000 0.218 332 E C 0.253 176.642 176.600 -0.352 0.000 1.058 332 E CA 1.582 57.662 56.400 -0.533 0.000 0.882 332 E CB 0.052 29.616 29.700 -0.226 0.000 0.774 332 E HN 0.165 nan 8.360 nan 0.000 0.467 333 S N -0.867 114.683 115.700 -0.250 0.000 2.979 333 S HA 0.355 4.825 4.470 -0.000 0.000 0.210 333 S C -0.247 174.275 174.600 -0.130 0.000 1.364 333 S CA 0.091 58.206 58.200 -0.142 0.000 1.208 333 S CB 0.631 63.777 63.200 -0.091 0.000 1.167 333 S HN 0.172 nan 8.310 nan 0.000 0.519 334 S N -0.375 115.233 115.700 -0.154 0.000 2.067 334 S HA 0.289 4.759 4.470 -0.000 0.000 0.249 334 S C 1.349 175.933 174.600 -0.028 0.000 0.916 334 S CA 0.101 58.247 58.200 -0.091 0.000 1.458 334 S CB 0.186 63.317 63.200 -0.115 0.000 1.037 334 S HN 0.698 nan 8.310 nan 0.000 0.483 335 G N 2.150 110.926 108.800 -0.041 0.000 2.320 335 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.242 335 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.242 335 G C 0.071 175.176 174.900 0.341 0.000 1.033 335 G CA 0.603 45.840 45.100 0.227 0.000 0.620 335 G HN 0.629 nan 8.290 nan 0.000 0.517 336 R N -0.670 119.911 120.500 0.134 0.000 2.541 336 R HA 0.724 5.064 4.340 -0.000 0.000 0.254 336 R C -0.803 175.538 176.300 0.069 0.000 1.130 336 R CA -0.893 55.322 56.100 0.190 0.000 1.152 336 R CB 0.161 30.553 30.300 0.153 0.000 1.222 336 R HN 0.252 nan 8.270 nan 0.000 0.579 337 W N -0.214 121.160 121.300 0.122 0.000 2.532 337 W HA 0.468 5.128 4.660 -0.000 0.000 0.321 337 W C -0.851 175.683 176.519 0.024 0.000 1.037 337 W CA -0.487 56.907 57.345 0.081 0.000 1.220 337 W CB 1.204 30.677 29.460 0.022 0.000 1.361 337 W HN 0.502 nan 8.180 nan 0.000 0.468 338 N N 1.966 120.781 118.700 0.191 0.000 2.362 338 N HA 0.548 5.288 4.740 -0.000 0.000 0.298 338 N C -1.462 174.111 175.510 0.105 0.000 1.048 338 N CA -0.578 52.537 53.050 0.109 0.000 0.858 338 N CB 1.185 39.697 38.487 0.043 0.000 1.218 338 N HN 0.197 nan 8.380 nan 0.000 0.488 339 c N 2.732 121.375 118.600 0.071 0.000 2.250 339 c HA 0.370 4.939 4.570 -0.000 0.000 0.319 339 c C 0.387 174.495 174.090 0.029 0.000 1.124 339 c CA -1.133 55.228 56.329 0.053 0.000 1.527 339 c CB -1.352 41.180 42.510 0.036 0.000 2.001 339 c HN 0.616 nan 8.230 nan 0.000 0.435 340 L N 2.955 124.196 121.223 0.031 0.000 2.559 340 L HA 0.102 4.442 4.340 -0.000 0.000 0.274 340 L C 0.929 177.801 176.870 0.002 0.000 1.205 340 L CA 0.417 55.265 54.840 0.014 0.000 0.907 340 L CB 0.233 42.303 42.059 0.018 0.000 1.153 340 L HN 0.574 nan 8.230 nan 0.000 0.490 341 V N 5.286 125.192 119.914 -0.012 0.000 3.611 341 V HA 0.270 4.389 4.120 -0.000 0.000 0.296 341 V C 1.408 177.481 176.094 -0.036 0.000 1.091 341 V CA 0.699 62.983 62.300 -0.026 0.000 1.103 341 V CB 1.124 32.929 31.823 -0.029 0.000 1.157 341 V HN 1.113 nan 8.190 nan 0.000 0.471 342 A N 1.610 124.395 122.820 -0.058 0.000 4.414 342 A HA -0.357 3.963 4.320 -0.000 0.000 0.259 342 A C 1.874 179.392 177.584 -0.110 0.000 0.774 342 A CA 2.370 54.361 52.037 -0.078 0.000 1.184 342 A CB -1.904 17.067 19.000 -0.048 0.000 1.070 342 A HN 1.199 nan 8.150 nan 0.000 0.747 343 R N 0.689 121.148 120.500 -0.069 0.000 2.334 343 R HA 0.152 4.492 4.340 -0.000 0.000 0.216 343 R C 0.811 177.089 176.300 -0.037 0.000 0.905 343 R CA 0.816 56.900 56.100 -0.027 0.000 1.064 343 R CB -0.023 30.300 30.300 0.038 0.000 1.046 343 R HN 0.868 nan 8.270 nan 0.000 0.508 344 Q N -0.459 119.271 119.800 -0.117 0.000 2.204 344 Q HA 0.278 4.618 4.340 -0.000 0.000 0.254 344 Q C -1.299 174.535 176.000 -0.277 0.000 0.981 344 Q CA -0.798 54.973 55.803 -0.054 0.000 0.897 344 Q CB 1.343 30.074 28.738 -0.012 0.000 1.273 344 Q HN 0.185 nan 8.270 nan 0.000 0.464 345 H N -0.157 118.921 119.070 0.014 0.000 2.679 345 H HA 0.493 5.049 4.556 -0.000 0.000 0.360 345 H C -0.960 174.341 175.328 -0.045 0.000 1.105 345 H CA -0.566 55.494 56.048 0.019 0.000 1.196 345 H CB 1.556 31.352 29.762 0.056 0.000 1.636 345 H HN 0.530 nan 8.280 nan 0.000 0.531 346 I N 1.851 122.435 120.570 0.024 0.000 2.385 346 I HA 0.222 4.392 4.170 -0.000 0.000 0.294 346 I C 0.023 176.070 176.117 -0.116 0.000 0.988 346 I CA -0.170 61.038 61.300 -0.153 0.000 1.265 346 I CB 1.246 39.108 38.000 -0.229 0.000 1.388 346 I HN 0.560 nan 8.210 nan 0.000 0.480 347 E N 8.354 128.435 120.200 -0.199 0.000 2.279 347 E HA 0.457 4.807 4.350 -0.000 0.000 0.252 347 E C -1.186 175.327 176.600 -0.145 0.000 0.894 347 E CA -0.611 55.728 56.400 -0.101 0.000 0.785 347 E CB 1.276 30.949 29.700 -0.045 0.000 1.237 347 E HN 0.587 nan 8.360 nan 0.000 0.418 348 M N 1.032 120.577 119.600 -0.093 0.000 2.690 348 M HA 0.653 5.133 4.480 -0.000 0.000 0.302 348 M C -0.989 175.312 176.300 0.002 0.000 1.234 348 M CA -0.901 54.378 55.300 -0.035 0.000 0.853 348 M CB 2.312 34.923 32.600 0.019 0.000 1.748 348 M HN 0.213 nan 8.290 nan 0.000 0.469 349 S N -0.332 115.372 115.700 0.007 0.000 2.538 349 S HA 0.574 5.044 4.470 -0.000 0.000 0.288 349 S C 0.277 174.868 174.600 -0.015 0.000 1.108 349 S CA 0.006 58.196 58.200 -0.017 0.000 0.971 349 S CB 1.766 64.922 63.200 -0.074 0.000 1.041 349 S HN 0.916 nan 8.310 nan 0.000 0.483 350 T N -0.152 114.396 114.554 -0.010 0.000 3.022 350 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 350 T C 1.357 176.040 174.700 -0.028 0.000 1.060 350 T CA 0.775 62.871 62.100 -0.007 0.000 1.013 350 T CB -0.349 68.523 68.868 0.007 0.000 0.982 350 T HN 0.654 nan 8.240 nan 0.000 0.508 351 T N -1.910 112.622 114.554 -0.036 0.000 3.037 351 T HA 0.601 4.951 4.350 -0.000 0.000 0.251 351 T C 1.139 175.689 174.700 -0.250 0.000 1.079 351 T CA 0.314 62.398 62.100 -0.026 0.000 1.067 351 T CB 0.423 69.354 68.868 0.106 0.000 0.948 351 T HN 0.624 nan 8.240 nan 0.000 0.496 352 G N 0.460 108.930 108.800 -0.550 0.000 2.635 352 G HA2 0.481 4.441 3.960 -0.000 0.000 0.194 352 G HA3 0.481 4.441 3.960 -0.000 0.000 0.194 352 G C -1.765 172.781 174.900 -0.591 0.000 1.198 352 G CA -0.648 43.820 45.100 -1.053 0.000 0.972 352 G HN 0.465 nan 8.290 nan 0.000 0.520 353 W N 0.234 121.252 121.300 -0.471 0.000 2.298 353 W HA 0.735 5.395 4.660 -0.000 0.000 0.358 353 W C -0.258 176.199 176.519 -0.103 0.000 1.241 353 W CA -1.321 55.887 57.345 -0.230 0.000 1.385 353 W CB 0.649 29.942 29.460 -0.277 0.000 1.225 353 W HN 0.273 nan 8.180 nan 0.000 0.654 354 V N 3.256 123.222 119.914 0.086 0.000 2.546 354 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 354 V C 0.898 177.074 176.094 0.137 0.000 1.050 354 V CA 0.303 62.629 62.300 0.043 0.000 0.981 354 V CB -0.038 31.817 31.823 0.052 0.000 0.990 354 V HN 1.331 nan 8.190 nan 0.000 0.474 355 G N 4.611 113.451 108.800 0.066 0.000 2.846 355 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.660 355 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.660 355 G C 0.332 175.345 174.900 0.190 0.000 1.464 355 G CA 0.273 45.440 45.100 0.113 0.000 0.891 355 G HN 0.703 nan 8.290 nan 0.000 0.552 356 R N -0.574 120.012 120.500 0.143 0.000 2.066 356 R HA 0.125 4.465 4.340 -0.000 0.000 0.232 356 R C 1.959 178.216 176.300 -0.072 0.000 1.131 356 R CA 2.160 58.300 56.100 0.066 0.000 0.955 356 R CB -0.069 30.232 30.300 0.002 0.000 0.851 356 R HN 0.487 nan 8.270 nan 0.000 0.432 357 F N -1.107 118.979 119.950 0.226 0.000 2.658 357 F HA 0.233 4.760 4.527 -0.000 0.000 0.293 357 F C 0.375 176.196 175.800 0.035 0.000 0.986 357 F CA -0.297 57.772 58.000 0.115 0.000 1.182 357 F CB 0.669 39.739 39.000 0.118 0.000 0.965 357 F HN -0.186 nan 8.300 nan 0.000 0.659 358 R N 0.835 121.474 120.500 0.231 0.000 2.651 358 R HA 0.439 4.779 4.340 -0.000 0.000 0.278 358 R C -3.239 173.125 176.300 0.107 0.000 1.010 358 R CA -1.870 54.290 56.100 0.100 0.000 0.896 358 R CB 1.174 31.500 30.300 0.044 0.000 1.211 358 R HN -0.252 nan 8.270 nan 0.000 0.456 359 P HA -0.108 nan 4.420 nan 0.000 0.265 359 P C 0.247 177.574 177.300 0.044 0.000 1.187 359 P CA 0.236 63.366 63.100 0.050 0.000 0.766 359 P CB 0.798 32.507 31.700 0.015 0.000 0.820 360 S N 1.768 117.503 115.700 0.058 0.000 2.564 360 S HA -0.091 4.379 4.470 -0.000 0.000 0.263 360 S C 0.166 174.785 174.600 0.033 0.000 1.378 360 S CA -0.213 58.032 58.200 0.075 0.000 0.996 360 S CB 0.163 63.422 63.200 0.097 0.000 0.881 360 S HN 0.640 nan 8.310 nan 0.000 0.555 361 E N 1.717 121.961 120.200 0.074 0.000 2.197 361 E HA 0.407 4.757 4.350 -0.000 0.000 0.281 361 E C -2.440 174.167 176.600 0.012 0.000 0.995 361 E CA -2.707 53.703 56.400 0.016 0.000 0.808 361 E CB 0.997 30.726 29.700 0.049 0.000 1.093 361 E HN 0.553 nan 8.360 nan 0.000 0.394 362 P HA 0.113 nan 4.420 nan 0.000 0.279 362 P C -1.116 176.093 177.300 -0.151 0.000 1.239 362 P CA -0.125 62.836 63.100 -0.232 0.000 0.789 362 P CB 0.739 32.041 31.700 -0.663 0.000 0.933 363 H N 2.703 121.788 119.070 0.024 0.000 2.786 363 H HA 0.268 4.824 4.556 -0.000 0.000 0.284 363 H C -0.183 175.286 175.328 0.234 0.000 1.104 363 H CA -0.413 55.751 56.048 0.193 0.000 1.339 363 H CB 0.182 30.080 29.762 0.227 0.000 1.427 363 H HN 0.307 nan 8.280 nan 0.000 0.497 364 F N 1.986 122.106 119.950 0.284 0.000 2.418 364 F HA 0.028 4.555 4.527 -0.000 0.000 0.341 364 F C 1.624 177.614 175.800 0.317 0.000 1.120 364 F CA -0.323 57.859 58.000 0.303 0.000 1.232 364 F CB 0.820 39.935 39.000 0.190 0.000 1.175 364 F HN 0.334 nan 8.300 nan 0.000 0.569 365 T N 1.010 115.851 114.554 0.477 0.000 2.868 365 T HA 0.153 4.503 4.350 -0.000 0.000 0.292 365 T C 1.169 176.067 174.700 0.330 0.000 1.028 365 T CA -0.855 61.476 62.100 0.386 0.000 1.059 365 T CB 0.896 69.972 68.868 0.347 0.000 0.991 365 T HN 0.599 nan 8.240 nan 0.000 0.531 366 L N 1.494 122.869 121.223 0.252 0.000 2.030 366 L HA -0.222 4.118 4.340 -0.000 0.000 0.222 366 L C 2.213 179.201 176.870 0.197 0.000 1.082 366 L CA 2.655 57.617 54.840 0.203 0.000 0.785 366 L CB -1.013 41.141 42.059 0.158 0.000 0.895 366 L HN 0.966 nan 8.230 nan 0.000 0.439 367 D N -1.092 119.423 120.400 0.193 0.000 2.371 367 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 367 D C 1.404 177.826 176.300 0.204 0.000 0.986 367 D CA 0.780 54.884 54.000 0.174 0.000 0.899 367 D CB -0.749 40.140 40.800 0.149 0.000 0.902 367 D HN 0.529 nan 8.370 nan 0.000 0.530 368 G N 0.945 109.915 108.800 0.282 0.000 2.350 368 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.298 368 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.298 368 G C 0.235 175.346 174.900 0.352 0.000 1.037 368 G CA 0.483 45.807 45.100 0.373 0.000 1.074 368 G HN 0.510 nan 8.290 nan 0.000 0.511 369 N N -0.961 117.921 118.700 0.305 0.000 2.166 369 N HA 0.330 5.070 4.740 -0.000 0.000 0.213 369 N C 0.454 176.057 175.510 0.154 0.000 1.222 369 N CA 0.397 53.577 53.050 0.217 0.000 0.900 369 N CB 0.906 39.481 38.487 0.147 0.000 1.055 369 N HN 0.696 nan 8.380 nan 0.000 0.515 370 S N -0.128 115.668 115.700 0.159 0.000 2.596 370 S HA 0.761 5.231 4.470 -0.000 0.000 0.270 370 S C -1.337 173.221 174.600 -0.069 0.000 1.155 370 S CA -0.979 57.150 58.200 -0.119 0.000 0.827 370 S CB 1.530 64.623 63.200 -0.178 0.000 1.130 370 S HN 0.158 nan 8.310 nan 0.000 0.467 371 F N -1.818 117.882 119.950 -0.416 0.000 2.741 371 F HA 0.849 5.375 4.527 -0.000 0.000 0.313 371 F C -2.313 173.222 175.800 -0.442 0.000 1.153 371 F CA -1.582 56.135 58.000 -0.471 0.000 0.931 371 F CB 0.485 38.848 39.000 -1.061 0.000 1.335 371 F HN 0.610 nan 8.300 nan 0.000 0.460 372 Y N 0.804 121.271 120.300 0.279 0.000 2.485 372 Y HA 0.733 5.283 4.550 -0.000 0.000 0.345 372 Y C -0.657 175.413 175.900 0.284 0.000 0.998 372 Y CA -1.071 57.180 58.100 0.252 0.000 1.059 372 Y CB 2.304 40.858 38.460 0.157 0.000 1.234 372 Y HN 0.755 nan 8.280 nan 0.000 0.461 373 K N 0.668 121.294 120.400 0.377 0.000 2.589 373 K HA 0.564 4.884 4.320 -0.000 0.000 0.265 373 K C -2.045 174.689 176.600 0.224 0.000 0.935 373 K CA -0.660 55.785 56.287 0.263 0.000 0.850 373 K CB 1.084 33.661 32.500 0.129 0.000 1.372 373 K HN 0.594 nan 8.250 nan 0.000 0.420 374 I N 4.508 125.180 120.570 0.171 0.000 2.436 374 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 374 I C 0.265 176.467 176.117 0.143 0.000 1.083 374 I CA -0.463 60.923 61.300 0.144 0.000 1.372 374 I CB -0.110 37.949 38.000 0.099 0.000 1.408 374 I HN 0.600 nan 8.210 nan 0.000 0.516 375 I N 1.878 122.566 120.570 0.198 0.000 3.002 375 I HA 0.536 4.706 4.170 -0.000 0.000 0.310 375 I C -0.077 176.146 176.117 0.177 0.000 1.087 375 I CA -0.792 60.615 61.300 0.179 0.000 1.017 375 I CB 2.066 40.197 38.000 0.219 0.000 1.226 375 I HN 0.342 nan 8.210 nan 0.000 0.443 376 S N 2.340 118.091 115.700 0.086 0.000 2.562 376 S HA 0.183 4.652 4.470 -0.000 0.000 0.281 376 S C 0.260 174.897 174.600 0.062 0.000 1.333 376 S CA -0.260 57.942 58.200 0.002 0.000 1.052 376 S CB 0.021 63.171 63.200 -0.083 0.000 0.884 376 S HN 0.701 nan 8.310 nan 0.000 0.506 377 N N 1.641 120.298 118.700 -0.071 0.000 2.235 377 N HA 0.033 4.773 4.740 -0.000 0.000 0.231 377 N C 1.065 176.535 175.510 -0.067 0.000 1.330 377 N CA 0.048 52.980 53.050 -0.196 0.000 0.898 377 N CB 0.320 38.682 38.487 -0.208 0.000 1.151 377 N HN 0.827 nan 8.380 nan 0.000 0.472 378 E N 0.176 120.319 120.200 -0.095 0.000 2.190 378 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 378 E C 0.913 177.486 176.600 -0.046 0.000 0.978 378 E CA 1.119 57.502 56.400 -0.028 0.000 0.839 378 E CB -0.012 29.676 29.700 -0.020 0.000 0.787 378 E HN 0.614 nan 8.360 nan 0.000 0.473 379 E N -0.966 119.194 120.200 -0.068 0.000 2.489 379 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 379 E C 0.465 177.123 176.600 0.096 0.000 1.057 379 E CA 0.499 56.894 56.400 -0.008 0.000 0.866 379 E CB -0.044 29.615 29.700 -0.069 0.000 0.916 379 E HN 0.449 nan 8.360 nan 0.000 0.500 380 G N 0.460 109.258 108.800 -0.004 0.000 2.195 380 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 380 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 380 G C -0.286 174.452 174.900 -0.271 0.000 0.984 380 G CA 0.356 45.371 45.100 -0.142 0.000 0.633 380 G HN 0.216 nan 8.290 nan 0.000 0.525 381 Y N 0.590 120.752 120.300 -0.231 0.000 2.352 381 Y HA 0.693 5.243 4.550 -0.000 0.000 0.326 381 Y C 1.145 176.848 175.900 -0.328 0.000 1.166 381 Y CA -1.104 56.831 58.100 -0.275 0.000 1.182 381 Y CB 0.884 39.185 38.460 -0.265 0.000 1.216 381 Y HN 0.063 nan 8.280 nan 0.000 0.474 382 R N 3.280 123.616 120.500 -0.273 0.000 2.216 382 R HA 0.288 4.628 4.340 -0.000 0.000 0.332 382 R C -0.789 175.209 176.300 -0.503 0.000 1.056 382 R CA -0.193 55.755 56.100 -0.254 0.000 0.901 382 R CB 0.116 30.328 30.300 -0.148 0.000 1.039 382 R HN 0.653 nan 8.270 nan 0.000 0.456 383 H N 1.868 120.881 119.070 -0.095 0.000 2.834 383 H HA 0.336 4.892 4.556 -0.000 0.000 0.369 383 H C 0.188 175.581 175.328 0.107 0.000 1.174 383 H CA -0.991 54.985 56.048 -0.120 0.000 1.165 383 H CB 1.679 31.245 29.762 -0.326 0.000 1.820 383 H HN 0.316 nan 8.280 nan 0.000 0.558 384 I N 1.307 121.967 120.570 0.149 0.000 2.533 384 I HA -0.031 4.139 4.170 -0.000 0.000 0.284 384 I C 0.438 176.674 176.117 0.197 0.000 1.109 384 I CA 0.372 61.752 61.300 0.133 0.000 1.412 384 I CB 0.199 38.190 38.000 -0.015 0.000 1.396 384 I HN 0.147 nan 8.210 nan 0.000 0.543 385 c N 7.385 126.075 118.600 0.150 0.000 2.417 385 c HA 0.396 4.966 4.570 -0.000 0.000 0.324 385 c C -0.246 173.832 174.090 -0.020 0.000 1.240 385 c CA -0.534 55.715 56.329 -0.134 0.000 1.632 385 c CB 0.955 43.190 42.510 -0.458 0.000 2.241 385 c HN 0.636 nan 8.230 nan 0.000 0.499 386 Y N 4.837 124.910 120.300 -0.379 0.000 2.327 386 Y HA 0.638 5.188 4.550 -0.000 0.000 0.336 386 Y C -0.971 174.519 175.900 -0.683 0.000 1.035 386 Y CA -0.566 57.238 58.100 -0.494 0.000 1.165 386 Y CB 0.188 38.447 38.460 -0.334 0.000 1.181 386 Y HN 0.604 nan 8.280 nan 0.000 0.494 387 F N 3.476 122.581 119.950 -1.409 0.000 2.546 387 F HA 0.453 4.980 4.527 -0.000 0.000 0.320 387 F C -0.371 174.636 175.800 -1.322 0.000 1.076 387 F CA -0.995 56.149 58.000 -1.426 0.000 0.928 387 F CB 1.791 39.568 39.000 -2.039 0.000 1.189 387 F HN 0.271 nan 8.300 nan 0.000 0.465 388 Q N 2.340 121.780 119.800 -0.600 0.000 2.325 388 Q HA 0.371 4.711 4.340 -0.000 0.000 0.262 388 Q C 1.049 177.009 176.000 -0.067 0.000 0.968 388 Q CA -0.283 55.315 55.803 -0.342 0.000 0.877 388 Q CB 1.385 29.978 28.738 -0.242 0.000 1.253 388 Q HN 0.711 nan 8.270 nan 0.000 0.448 389 I N -0.311 120.294 120.570 0.057 0.000 2.381 389 I HA -0.267 3.903 4.170 -0.000 0.000 0.255 389 I C 0.130 176.416 176.117 0.282 0.000 1.140 389 I CA 1.987 63.466 61.300 0.298 0.000 1.404 389 I CB 0.007 38.200 38.000 0.322 0.000 1.075 389 I HN 0.482 nan 8.210 nan 0.000 0.433 390 D N -0.450 120.026 120.400 0.128 0.000 2.398 390 D HA 0.141 4.781 4.640 -0.000 0.000 0.210 390 D C 0.319 176.625 176.300 0.010 0.000 1.094 390 D CA -0.160 53.872 54.000 0.053 0.000 0.839 390 D CB -0.021 40.796 40.800 0.028 0.000 0.963 390 D HN 0.169 nan 8.370 nan 0.000 0.506 391 K N 1.155 121.575 120.400 0.032 0.000 2.262 391 K HA 0.216 4.536 4.320 -0.000 0.000 0.282 391 K C 1.096 177.712 176.600 0.026 0.000 1.066 391 K CA -0.415 55.860 56.287 -0.020 0.000 0.901 391 K CB 1.302 33.746 32.500 -0.094 0.000 1.089 391 K HN 0.068 nan 8.250 nan 0.000 0.476 392 K N 0.605 120.986 120.400 -0.031 0.000 2.097 392 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 392 K C -0.476 176.114 176.600 -0.016 0.000 1.049 392 K CA 1.291 57.569 56.287 -0.015 0.000 0.933 392 K CB 0.015 32.485 32.500 -0.051 0.000 0.717 392 K HN 0.388 nan 8.250 nan 0.000 0.442 393 D N 1.149 121.479 120.400 -0.117 0.000 2.233 393 D HA 0.177 4.817 4.640 -0.000 0.000 0.240 393 D C -0.262 175.776 176.300 -0.437 0.000 1.074 393 D CA -0.651 53.213 54.000 -0.226 0.000 0.838 393 D CB 1.185 41.885 40.800 -0.166 0.000 1.124 393 D HN 0.429 nan 8.370 nan 0.000 0.475 394 c N 0.781 118.920 118.600 -0.768 0.000 2.345 394 c HA 0.792 5.362 4.570 -0.000 0.000 0.369 394 c C 0.229 173.880 174.090 -0.731 0.000 1.273 394 c CA -0.546 55.096 56.329 -1.145 0.000 2.310 394 c CB 0.908 41.995 42.510 -2.371 0.000 2.219 394 c HN 0.497 nan 8.230 nan 0.000 0.587 395 T N 1.988 116.194 114.554 -0.579 0.000 2.864 395 T HA 0.437 4.787 4.350 -0.000 0.000 0.299 395 T C -0.580 173.967 174.700 -0.256 0.000 1.011 395 T CA 0.112 62.033 62.100 -0.299 0.000 0.975 395 T CB 0.039 68.885 68.868 -0.035 0.000 0.962 395 T HN 0.480 nan 8.240 nan 0.000 0.448 396 F N 3.260 123.125 119.950 -0.142 0.000 2.607 396 F HA 0.128 4.655 4.527 -0.000 0.000 0.374 396 F C 1.689 177.364 175.800 -0.209 0.000 1.104 396 F CA -0.469 57.438 58.000 -0.156 0.000 1.296 396 F CB 0.277 39.177 39.000 -0.168 0.000 1.085 396 F HN 0.580 nan 8.300 nan 0.000 0.584 397 I N -0.989 119.522 120.570 -0.098 0.000 4.082 397 I HA 0.276 4.446 4.170 -0.000 0.000 0.337 397 I C 0.069 176.041 176.117 -0.242 0.000 1.352 397 I CA 0.012 61.067 61.300 -0.409 0.000 1.097 397 I CB 0.064 37.549 38.000 -0.858 0.000 1.048 397 I HN 0.495 nan 8.210 nan 0.000 0.393 398 T N -0.208 114.234 114.554 -0.186 0.000 2.883 398 T HA 0.767 5.117 4.350 -0.000 0.000 0.296 398 T C -0.685 173.522 174.700 -0.821 0.000 1.117 398 T CA -0.621 61.295 62.100 -0.308 0.000 1.006 398 T CB 2.759 71.531 68.868 -0.160 0.000 1.191 398 T HN 0.519 nan 8.240 nan 0.000 0.508 399 K N -0.796 118.831 120.400 -1.288 0.000 2.809 399 K HA 0.686 5.006 4.320 -0.000 0.000 0.293 399 K C -0.298 175.532 176.600 -1.283 0.000 1.061 399 K CA -0.544 54.719 56.287 -1.706 0.000 0.837 399 K CB 0.763 32.761 32.500 -0.836 0.000 1.524 399 K HN 1.897 nan 8.250 nan 0.000 0.370 400 G N -0.209 108.009 108.800 -0.970 0.000 2.384 400 G HA2 0.065 4.025 3.960 -0.000 0.000 0.668 400 G HA3 0.065 4.025 3.960 -0.000 0.000 0.668 400 G C -0.783 173.614 174.900 -0.839 0.000 1.280 400 G CA -0.384 44.306 45.100 -0.683 0.000 0.992 400 G HN 1.319 nan 8.290 nan 0.000 0.512 401 T N -0.509 113.700 114.554 -0.574 0.000 3.579 401 T HA 0.601 4.951 4.350 -0.000 0.000 0.328 401 T C 0.123 174.827 174.700 0.007 0.000 1.481 401 T CA 0.638 62.334 62.100 -0.673 0.000 1.144 401 T CB -0.846 67.782 68.868 -0.401 0.000 1.205 401 T HN 1.776 nan 8.240 nan 0.000 0.812 402 W N 0.015 121.329 121.300 0.023 0.000 2.946 402 W HA 0.546 5.206 4.660 -0.000 0.000 0.364 402 W C -1.704 174.846 176.519 0.051 0.000 1.134 402 W CA -0.913 56.495 57.345 0.104 0.000 1.140 402 W CB 0.454 29.930 29.460 0.027 0.000 1.463 402 W HN 0.302 nan 8.180 nan 0.000 0.564 403 E N 0.682 121.094 120.200 0.355 0.000 2.343 403 E HA 0.449 4.799 4.350 -0.000 0.000 0.270 403 E C -1.208 175.501 176.600 0.183 0.000 0.895 403 E CA -1.219 55.181 56.400 0.000 0.000 0.767 403 E CB 3.353 33.051 29.700 -0.004 0.000 1.248 403 E HN 0.177 nan 8.360 nan 0.000 0.440 404 V N 4.215 124.103 119.914 -0.044 0.000 2.387 404 V HA -0.009 4.111 4.120 -0.000 0.000 0.260 404 V C 1.412 177.568 176.094 0.102 0.000 1.054 404 V CA -0.030 62.309 62.300 0.066 0.000 0.967 404 V CB 0.105 31.852 31.823 -0.126 0.000 1.036 404 V HN 0.709 nan 8.190 nan 0.000 0.481 405 I N 3.608 124.274 120.570 0.160 0.000 2.142 405 I HA 0.039 4.209 4.170 -0.000 0.000 0.240 405 I C 1.206 177.425 176.117 0.170 0.000 1.078 405 I CA 1.564 62.961 61.300 0.161 0.000 1.343 405 I CB -0.836 37.212 38.000 0.080 0.000 1.046 405 I HN 0.735 nan 8.210 nan 0.000 0.405 406 G N 0.262 109.164 108.800 0.170 0.000 2.733 406 G HA2 0.505 4.465 3.960 -0.000 0.000 0.297 406 G HA3 0.505 4.465 3.960 -0.000 0.000 0.297 406 G C -1.002 173.985 174.900 0.144 0.000 1.452 406 G CA -0.610 44.589 45.100 0.164 0.000 0.940 406 G HN 0.010 nan 8.290 nan 0.000 0.547 407 I N 1.995 122.592 120.570 0.045 0.000 2.452 407 I HA 0.141 4.311 4.170 -0.000 0.000 0.287 407 I C 0.821 176.902 176.117 -0.059 0.000 1.079 407 I CA -0.251 60.969 61.300 -0.132 0.000 1.387 407 I CB 1.273 38.880 38.000 -0.655 0.000 1.404 407 I HN 0.500 nan 8.210 nan 0.000 0.522 408 E N 5.250 125.454 120.200 0.007 0.000 2.389 408 E HA 0.327 4.677 4.350 -0.000 0.000 0.199 408 E C 0.178 176.670 176.600 -0.181 0.000 0.978 408 E CA 0.147 56.567 56.400 0.034 0.000 0.912 408 E CB 0.868 30.657 29.700 0.149 0.000 0.907 408 E HN 0.698 nan 8.360 nan 0.000 0.494 409 A N 0.752 123.401 122.820 -0.286 0.000 2.594 409 A HA 0.556 4.876 4.320 -0.000 0.000 0.296 409 A C -2.003 175.498 177.584 -0.138 0.000 1.056 409 A CA -0.681 51.104 52.037 -0.421 0.000 0.693 409 A CB 1.158 19.317 19.000 -1.401 0.000 1.278 409 A HN 0.041 nan 8.150 nan 0.000 0.408 410 L N 1.524 122.720 121.223 -0.045 0.000 2.436 410 L HA 0.917 5.257 4.340 -0.000 0.000 0.268 410 L C -0.142 176.770 176.870 0.071 0.000 0.974 410 L CA 0.473 55.333 54.840 0.033 0.000 0.826 410 L CB 2.320 44.433 42.059 0.091 0.000 1.291 410 L HN 1.253 nan 8.230 nan 0.000 0.406 411 T N -0.472 114.143 114.554 0.101 0.000 2.909 411 T HA 0.348 4.698 4.350 -0.000 0.000 0.299 411 T C 0.889 175.650 174.700 0.101 0.000 1.073 411 T CA -0.012 62.157 62.100 0.115 0.000 0.999 411 T CB 1.364 70.329 68.868 0.162 0.000 1.098 411 T HN 0.732 nan 8.240 nan 0.000 0.477 412 S N 0.570 116.329 115.700 0.098 0.000 2.481 412 S HA -0.207 4.263 4.470 -0.000 0.000 0.253 412 S C 1.068 175.689 174.600 0.035 0.000 0.998 412 S CA 1.501 59.749 58.200 0.080 0.000 0.972 412 S CB -0.537 62.709 63.200 0.077 0.000 0.751 412 S HN 0.782 nan 8.310 nan 0.000 0.515 413 D N -0.241 120.187 120.400 0.047 0.000 2.584 413 D HA 0.223 4.863 4.640 -0.000 0.000 0.254 413 D C -0.172 176.002 176.300 -0.211 0.000 1.085 413 D CA 0.680 54.667 54.000 -0.022 0.000 0.971 413 D CB 0.265 41.165 40.800 0.166 0.000 1.103 413 D HN 0.415 nan 8.370 nan 0.000 0.453 414 Y N -0.253 120.022 120.300 -0.042 0.000 2.630 414 Y HA 0.467 5.017 4.550 -0.000 0.000 0.337 414 Y C -0.121 175.663 175.900 -0.193 0.000 1.051 414 Y CA -1.031 56.965 58.100 -0.173 0.000 1.121 414 Y CB 1.730 39.970 38.460 -0.367 0.000 1.299 414 Y HN -0.144 nan 8.280 nan 0.000 0.498 415 L N 2.698 123.838 121.223 -0.138 0.000 2.342 415 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 415 L C -2.012 174.759 176.870 -0.165 0.000 0.997 415 L CA -0.784 53.953 54.840 -0.173 0.000 0.838 415 L CB 0.193 42.056 42.059 -0.326 0.000 1.224 415 L HN 0.620 nan 8.230 nan 0.000 0.416 416 Y N 6.055 126.272 120.300 -0.139 0.000 2.320 416 Y HA 0.512 5.062 4.550 -0.000 0.000 0.334 416 Y C 0.032 175.907 175.900 -0.043 0.000 1.055 416 Y CA -0.195 57.815 58.100 -0.150 0.000 1.143 416 Y CB 1.122 39.399 38.460 -0.305 0.000 1.193 416 Y HN 0.581 nan 8.280 nan 0.000 0.477 417 Y N 0.354 120.698 120.300 0.072 0.000 2.644 417 Y HA 0.846 5.396 4.550 -0.000 0.000 0.338 417 Y C -1.743 174.221 175.900 0.108 0.000 1.119 417 Y CA -2.241 55.892 58.100 0.054 0.000 1.060 417 Y CB 1.228 39.695 38.460 0.011 0.000 1.294 417 Y HN 0.378 nan 8.280 nan 0.000 0.472 418 I N 2.873 123.646 120.570 0.339 0.000 2.436 418 I HA 0.600 4.770 4.170 -0.000 0.000 0.289 418 I C -0.571 175.718 176.117 0.288 0.000 1.010 418 I CA -0.595 60.834 61.300 0.215 0.000 1.098 418 I CB 2.084 40.158 38.000 0.124 0.000 1.266 418 I HN 0.877 nan 8.210 nan 0.000 0.434 419 S N 3.244 119.059 115.700 0.192 0.000 2.732 419 S HA 0.485 4.955 4.470 -0.000 0.000 0.293 419 S C -0.388 174.219 174.600 0.011 0.000 1.159 419 S CA -0.794 57.479 58.200 0.121 0.000 0.847 419 S CB 1.851 65.087 63.200 0.060 0.000 1.169 419 S HN 0.659 nan 8.310 nan 0.000 0.501 420 N N -0.673 118.028 118.700 0.002 0.000 2.338 420 N HA 0.131 4.871 4.740 -0.000 0.000 0.251 420 N C 0.499 175.962 175.510 -0.078 0.000 1.199 420 N CA -0.209 52.819 53.050 -0.037 0.000 0.879 420 N CB 0.196 38.662 38.487 -0.035 0.000 1.159 420 N HN 0.850 nan 8.380 nan 0.000 0.514 421 E N 0.025 120.049 120.200 -0.294 0.000 2.046 421 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 421 E C -0.271 176.192 176.600 -0.227 0.000 0.982 421 E CA 0.131 56.170 56.400 -0.603 0.000 0.800 421 E CB -0.163 28.549 29.700 -1.646 0.000 0.756 421 E HN 0.306 nan 8.360 nan 0.000 0.449 422 Y N 1.931 122.135 120.300 -0.160 0.000 2.944 422 Y HA -0.153 4.397 4.550 -0.000 0.000 0.340 422 Y C 0.394 176.264 175.900 -0.051 0.000 1.275 422 Y CA 0.980 59.052 58.100 -0.047 0.000 1.590 422 Y CB 0.147 38.614 38.460 0.012 0.000 1.218 422 Y HN 0.165 nan 8.280 nan 0.000 0.576 423 K N 3.109 123.212 120.400 -0.495 0.000 3.274 423 K HA -0.230 4.090 4.320 -0.000 0.000 0.305 423 K C 0.883 177.414 176.600 -0.116 0.000 1.225 423 K CA 1.306 57.379 56.287 -0.357 0.000 0.904 423 K CB -1.633 30.630 32.500 -0.395 0.000 1.227 423 K HN 1.329 nan 8.250 nan 0.000 0.453 424 G N 0.125 108.874 108.800 -0.085 0.000 2.180 424 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 424 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 424 G C 0.061 174.956 174.900 -0.009 0.000 0.989 424 G CA 0.939 46.037 45.100 -0.003 0.000 0.692 424 G HN 0.519 nan 8.290 nan 0.000 0.526 425 M N -0.915 118.607 119.600 -0.129 0.000 2.061 425 M HA 0.472 4.952 4.480 -0.000 0.000 0.346 425 M C -1.068 174.973 176.300 -0.431 0.000 1.112 425 M CA -2.131 52.903 55.300 -0.443 0.000 1.021 425 M CB 1.786 34.108 32.600 -0.463 0.000 1.530 425 M HN -0.093 nan 8.290 nan 0.000 0.437 426 P HA -0.148 nan 4.420 nan 0.000 0.217 426 P C 1.062 178.212 177.300 -0.250 0.000 1.148 426 P CA 1.884 64.811 63.100 -0.288 0.000 0.828 426 P CB -0.087 31.447 31.700 -0.276 0.000 0.783 427 G N -0.385 108.196 108.800 -0.365 0.000 3.424 427 G HA2 0.371 4.331 3.960 -0.000 0.000 0.263 427 G HA3 0.371 4.331 3.960 -0.000 0.000 0.263 427 G C 0.518 175.408 174.900 -0.015 0.000 1.310 427 G CA 0.076 45.090 45.100 -0.144 0.000 1.089 427 G HN 0.476 nan 8.290 nan 0.000 0.534 428 G N -0.242 108.500 108.800 -0.097 0.000 2.537 428 G HA2 0.689 4.649 3.960 -0.000 0.000 0.308 428 G HA3 0.689 4.649 3.960 -0.000 0.000 0.308 428 G C -1.054 173.714 174.900 -0.220 0.000 1.237 428 G CA -0.820 44.252 45.100 -0.047 0.000 0.968 428 G HN 0.101 nan 8.290 nan 0.000 0.481 429 R N 0.860 121.189 120.500 -0.284 0.000 2.574 429 R HA 0.517 4.857 4.340 -0.000 0.000 0.288 429 R C -1.230 175.057 176.300 -0.021 0.000 1.004 429 R CA -0.876 55.035 56.100 -0.315 0.000 0.895 429 R CB 2.020 31.843 30.300 -0.796 0.000 1.191 429 R HN 0.623 nan 8.270 nan 0.000 0.444 430 N N 1.405 120.118 118.700 0.021 0.000 2.396 430 N HA 0.319 5.059 4.740 -0.000 0.000 0.275 430 N C -1.443 174.034 175.510 -0.055 0.000 1.218 430 N CA -0.769 52.247 53.050 -0.057 0.000 0.812 430 N CB 2.781 41.181 38.487 -0.145 0.000 1.592 430 N HN 0.269 nan 8.380 nan 0.000 0.480 431 L N 2.069 123.116 121.223 -0.294 0.000 2.275 431 L HA 0.537 4.877 4.340 -0.000 0.000 0.288 431 L C -1.460 175.163 176.870 -0.411 0.000 1.046 431 L CA -0.041 54.664 54.840 -0.225 0.000 0.805 431 L CB 0.085 42.010 42.059 -0.223 0.000 1.193 431 L HN 0.406 nan 8.230 nan 0.000 0.426 432 Y N 3.219 123.177 120.300 -0.571 0.000 2.602 432 Y HA 0.665 5.215 4.550 -0.000 0.000 0.342 432 Y C -0.503 175.008 175.900 -0.648 0.000 1.029 432 Y CA -0.959 56.744 58.100 -0.661 0.000 1.080 432 Y CB 1.708 39.612 38.460 -0.926 0.000 1.284 432 Y HN 0.572 nan 8.280 nan 0.000 0.485 433 K N 1.638 121.830 120.400 -0.346 0.000 2.482 433 K HA 0.715 5.035 4.320 -0.000 0.000 0.251 433 K C -1.915 174.608 176.600 -0.128 0.000 0.936 433 K CA -0.643 55.364 56.287 -0.467 0.000 0.791 433 K CB 2.570 34.527 32.500 -0.906 0.000 1.213 433 K HN 0.746 nan 8.250 nan 0.000 0.428 434 I N 2.473 123.038 120.570 -0.007 0.000 2.404 434 I HA 0.150 4.320 4.170 -0.000 0.000 0.293 434 I C -0.590 175.568 176.117 0.068 0.000 0.992 434 I CA -0.864 60.501 61.300 0.108 0.000 1.149 434 I CB 1.922 39.999 38.000 0.128 0.000 1.315 434 I HN 0.834 nan 8.210 nan 0.000 0.446 435 Q N 5.700 125.506 119.800 0.009 0.000 2.296 435 Q HA 0.072 4.412 4.340 -0.000 0.000 0.263 435 Q C 0.333 176.210 176.000 -0.205 0.000 1.026 435 Q CA -0.539 55.030 55.803 -0.390 0.000 0.912 435 Q CB 1.096 29.695 28.738 -0.232 0.000 1.198 435 Q HN 0.712 nan 8.270 nan 0.000 0.407 436 L N 3.242 124.298 121.223 -0.279 0.000 2.127 436 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 436 L C 2.059 178.833 176.870 -0.161 0.000 1.089 436 L CA 1.579 56.369 54.840 -0.084 0.000 0.757 436 L CB -0.843 41.147 42.059 -0.116 0.000 0.899 436 L HN 0.623 nan 8.230 nan 0.000 0.434 437 S N -1.340 114.222 115.700 -0.230 0.000 2.355 437 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 437 S C 0.749 175.189 174.600 -0.266 0.000 1.031 437 S CA 1.115 59.178 58.200 -0.229 0.000 0.993 437 S CB -0.118 62.971 63.200 -0.185 0.000 0.859 437 S HN 0.447 nan 8.310 nan 0.000 0.453 438 D N -0.610 119.670 120.400 -0.199 0.000 2.421 438 D HA 0.303 4.943 4.640 -0.000 0.000 0.254 438 D C -0.093 176.203 176.300 -0.007 0.000 1.238 438 D CA -0.551 53.355 54.000 -0.156 0.000 0.919 438 D CB 0.264 41.011 40.800 -0.088 0.000 1.152 438 D HN -0.072 nan 8.370 nan 0.000 0.552 439 Y N 1.483 121.749 120.300 -0.057 0.000 2.384 439 Y HA -0.105 4.445 4.550 -0.000 0.000 0.289 439 Y C 2.439 178.337 175.900 -0.003 0.000 1.152 439 Y CA 0.836 58.917 58.100 -0.031 0.000 1.258 439 Y CB -0.900 37.543 38.460 -0.029 0.000 0.979 439 Y HN 0.378 nan 8.280 nan 0.000 0.549 440 T N -0.138 114.495 114.554 0.132 0.000 2.962 440 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 440 T C 0.675 175.424 174.700 0.082 0.000 1.088 440 T CA 0.669 62.821 62.100 0.087 0.000 1.127 440 T CB -0.197 68.696 68.868 0.041 0.000 0.883 440 T HN 0.153 nan 8.240 nan 0.000 0.493 441 K N 1.733 122.181 120.400 0.080 0.000 2.266 441 K HA 0.464 4.783 4.320 -0.000 0.000 0.274 441 K C -1.200 175.465 176.600 0.108 0.000 1.090 441 K CA -0.262 56.071 56.287 0.078 0.000 0.925 441 K CB 1.780 34.313 32.500 0.054 0.000 1.225 441 K HN -0.010 nan 8.250 nan 0.000 0.458 442 V N 2.973 122.954 119.914 0.112 0.000 2.531 442 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 442 V C -1.049 175.099 176.094 0.089 0.000 1.034 442 V CA -0.188 62.190 62.300 0.130 0.000 0.865 442 V CB 1.985 33.919 31.823 0.186 0.000 0.995 442 V HN 0.666 nan 8.190 nan 0.000 0.424 443 T N 6.042 120.612 114.554 0.026 0.000 2.797 443 T HA 0.322 4.672 4.350 -0.000 0.000 0.279 443 T C -0.398 174.187 174.700 -0.191 0.000 0.991 443 T CA -0.250 61.810 62.100 -0.066 0.000 0.979 443 T CB 1.102 69.906 68.868 -0.106 0.000 0.943 443 T HN 0.896 nan 8.240 nan 0.000 0.444 444 C N 4.938 124.046 119.300 -0.320 0.000 2.499 444 C HA 0.415 4.875 4.460 -0.000 0.000 0.386 444 C C 1.574 176.227 174.990 -0.561 0.000 1.293 444 C CA -0.573 57.982 59.018 -0.771 0.000 1.884 444 C CB -1.683 25.460 27.740 -0.995 0.000 2.509 444 C HN 0.978 nan 8.230 nan 0.000 0.566 445 L N 4.820 125.701 121.223 -0.571 0.000 2.585 445 L HA 0.135 4.475 4.340 -0.000 0.000 0.226 445 L C 1.883 178.482 176.870 -0.451 0.000 1.113 445 L CA 0.664 55.275 54.840 -0.382 0.000 0.876 445 L CB -0.302 41.589 42.059 -0.280 0.000 1.072 445 L HN 0.896 nan 8.230 nan 0.000 0.468 446 S N -3.531 111.768 115.700 -0.670 0.000 2.648 446 S HA -0.020 4.450 4.470 -0.000 0.000 0.270 446 S C 1.692 175.867 174.600 -0.708 0.000 1.082 446 S CA 0.003 57.709 58.200 -0.823 0.000 1.116 446 S CB -0.321 61.977 63.200 -1.502 0.000 1.040 446 S HN 0.286 nan 8.310 nan 0.000 0.572 447 C N 2.070 120.890 119.300 -0.799 0.000 2.396 447 C HA -0.049 4.411 4.460 -0.000 0.000 0.279 447 C C 2.510 177.144 174.990 -0.593 0.000 1.229 447 C CA 1.739 60.158 59.018 -0.998 0.000 1.801 447 C CB -1.134 25.603 27.740 -1.671 0.000 2.050 447 C HN 0.667 nan 8.230 nan 0.000 0.491 448 E N -0.380 119.591 120.200 -0.383 0.000 2.447 448 E HA 0.191 4.541 4.350 -0.000 0.000 0.204 448 E C 1.955 178.503 176.600 -0.085 0.000 0.977 448 E CA -0.107 56.193 56.400 -0.166 0.000 0.950 448 E CB -0.191 29.428 29.700 -0.134 0.000 0.975 448 E HN 0.508 nan 8.360 nan 0.000 0.496 449 L N 0.602 121.763 121.223 -0.104 0.000 2.151 449 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 449 L C 0.709 177.596 176.870 0.028 0.000 1.084 449 L CA 1.180 56.007 54.840 -0.020 0.000 0.764 449 L CB -0.214 41.854 42.059 0.016 0.000 0.891 449 L HN 0.184 nan 8.230 nan 0.000 0.435 450 N N -2.006 116.726 118.700 0.053 0.000 3.866 450 N HA 0.020 4.760 4.740 -0.000 0.000 0.151 450 N C -2.093 173.463 175.510 0.076 0.000 1.455 450 N CA -0.559 52.523 53.050 0.054 0.000 1.007 450 N CB 0.514 39.027 38.487 0.044 0.000 1.739 450 N HN -0.219 nan 8.380 nan 0.000 0.709 451 P HA -0.158 nan 4.420 nan 0.000 0.217 451 P C 0.939 178.296 177.300 0.094 0.000 1.148 451 P CA 1.139 64.318 63.100 0.132 0.000 0.828 451 P CB 0.651 32.444 31.700 0.155 0.000 0.783 452 E N 0.012 120.246 120.200 0.057 0.000 2.017 452 E HA -0.176 4.173 4.350 -0.000 0.000 0.193 452 E C 2.280 178.890 176.600 0.017 0.000 0.997 452 E CA 1.187 57.608 56.400 0.034 0.000 0.804 452 E CB -0.430 29.281 29.700 0.019 0.000 0.757 452 E HN 0.331 nan 8.360 nan 0.000 0.448 453 R N -0.466 120.033 120.500 -0.003 0.000 2.237 453 R HA 0.083 4.423 4.340 -0.000 0.000 0.195 453 R C -0.036 176.222 176.300 -0.069 0.000 0.956 453 R CA 0.319 56.394 56.100 -0.042 0.000 1.029 453 R CB 0.453 30.713 30.300 -0.067 0.000 0.972 453 R HN 0.032 nan 8.270 nan 0.000 0.493 454 c N 1.271 119.843 118.600 -0.047 0.000 2.322 454 c HA 0.434 5.004 4.570 -0.000 0.000 0.324 454 c C 0.106 174.201 174.090 0.009 0.000 1.249 454 c CA -0.673 55.571 56.329 -0.141 0.000 1.453 454 c CB 1.440 43.793 42.510 -0.261 0.000 2.145 454 c HN 0.524 nan 8.230 nan 0.000 0.466 455 Q N 0.496 120.295 119.800 -0.002 0.000 2.081 455 Q HA 0.165 4.505 4.340 -0.000 0.000 0.220 455 Q C -0.991 175.104 176.000 0.158 0.000 0.775 455 Q CA 0.062 55.951 55.803 0.145 0.000 0.983 455 Q CB 1.399 30.219 28.738 0.136 0.000 1.188 455 Q HN 0.797 nan 8.270 nan 0.000 0.458 456 Y N 0.488 120.716 120.300 -0.122 0.000 2.349 456 Y HA 0.402 4.952 4.550 -0.000 0.000 0.324 456 Y C -1.541 174.230 175.900 -0.214 0.000 1.005 456 Y CA -0.996 57.051 58.100 -0.088 0.000 1.240 456 Y CB 0.910 39.314 38.460 -0.093 0.000 1.117 456 Y HN -0.090 nan 8.280 nan 0.000 0.463 457 Y N 2.089 122.336 120.300 -0.087 0.000 2.524 457 Y HA 0.681 5.230 4.550 -0.000 0.000 0.344 457 Y C -0.020 175.850 175.900 -0.051 0.000 1.012 457 Y CA -0.819 57.248 58.100 -0.054 0.000 1.068 457 Y CB 2.354 40.755 38.460 -0.099 0.000 1.249 457 Y HN 0.499 nan 8.280 nan 0.000 0.468 458 S N 0.623 116.429 115.700 0.177 0.000 2.599 458 S HA 0.865 5.335 4.470 -0.000 0.000 0.287 458 S C -1.657 173.037 174.600 0.156 0.000 1.105 458 S CA -0.746 57.544 58.200 0.150 0.000 0.899 458 S CB 1.836 65.133 63.200 0.162 0.000 1.100 458 S HN 0.610 nan 8.310 nan 0.000 0.482 459 V N 0.590 120.606 119.914 0.169 0.000 3.040 459 V HA 0.898 5.018 4.120 -0.000 0.000 0.312 459 V C -1.042 175.185 176.094 0.222 0.000 1.115 459 V CA -0.380 62.013 62.300 0.155 0.000 0.998 459 V CB 2.394 34.293 31.823 0.127 0.000 1.042 459 V HN 1.173 nan 8.190 nan 0.000 0.433 460 S N 3.816 119.632 115.700 0.193 0.000 2.775 460 S HA 0.636 5.106 4.470 -0.000 0.000 0.277 460 S C -1.278 173.536 174.600 0.356 0.000 1.156 460 S CA -0.400 58.006 58.200 0.344 0.000 1.081 460 S CB 0.331 63.739 63.200 0.347 0.000 1.054 460 S HN 0.464 nan 8.310 nan 0.000 0.482 461 F N 2.967 123.022 119.950 0.176 0.000 2.377 461 F HA 0.501 5.028 4.527 -0.000 0.000 0.328 461 F C 1.341 176.787 175.800 -0.591 0.000 1.094 461 F CA -0.331 57.601 58.000 -0.113 0.000 1.093 461 F CB 1.441 40.336 39.000 -0.175 0.000 1.214 461 F HN 0.597 nan 8.300 nan 0.000 0.518 462 S N 1.664 116.827 115.700 -0.894 0.000 2.632 462 S HA 0.221 4.691 4.470 -0.000 0.000 0.267 462 S C 1.125 175.513 174.600 -0.353 0.000 1.276 462 S CA -0.900 56.571 58.200 -1.216 0.000 0.998 462 S CB 1.056 63.517 63.200 -1.233 0.000 0.953 462 S HN 0.515 nan 8.310 nan 0.000 0.547 463 K N 0.887 121.199 120.400 -0.147 0.000 2.184 463 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 463 K C 0.713 177.302 176.600 -0.017 0.000 1.048 463 K CA 1.790 58.076 56.287 -0.001 0.000 0.931 463 K CB -0.416 32.129 32.500 0.074 0.000 0.718 463 K HN 0.711 nan 8.250 nan 0.000 0.465 464 E N -1.530 118.624 120.200 -0.076 0.000 2.734 464 E HA 0.271 4.620 4.350 -0.000 0.000 0.211 464 E C -0.230 176.320 176.600 -0.083 0.000 0.991 464 E CA 0.221 56.587 56.400 -0.057 0.000 1.065 464 E CB 0.598 30.267 29.700 -0.051 0.000 1.047 464 E HN 0.218 nan 8.360 nan 0.000 0.470 465 A N 1.527 124.293 122.820 -0.090 0.000 2.791 465 A HA -0.300 4.020 4.320 -0.000 0.000 0.292 465 A C 1.375 178.907 177.584 -0.087 0.000 1.487 465 A CA 1.620 53.653 52.037 -0.007 0.000 0.760 465 A CB -2.036 16.885 19.000 -0.132 0.000 1.031 465 A HN 0.247 nan 8.150 nan 0.000 0.503 466 K N -1.718 118.534 120.400 -0.248 0.000 2.242 466 K HA 0.255 4.575 4.320 -0.000 0.000 0.200 466 K C -0.060 176.153 176.600 -0.644 0.000 1.050 466 K CA 0.957 56.961 56.287 -0.471 0.000 0.981 466 K CB 0.196 32.303 32.500 -0.654 0.000 0.795 466 K HN 0.620 nan 8.250 nan 0.000 0.477 467 Y N -0.460 119.688 120.300 -0.252 0.000 2.545 467 Y HA 0.312 4.862 4.550 -0.000 0.000 0.348 467 Y C -1.224 174.515 175.900 -0.267 0.000 1.002 467 Y CA -1.314 56.639 58.100 -0.245 0.000 1.039 467 Y CB 1.819 40.114 38.460 -0.275 0.000 1.271 467 Y HN -0.004 nan 8.280 nan 0.000 0.467 468 Y N -0.205 120.009 120.300 -0.144 0.000 2.362 468 Y HA 0.450 5.000 4.550 -0.000 0.000 0.326 468 Y C -1.124 174.704 175.900 -0.119 0.000 1.083 468 Y CA -1.350 56.489 58.100 -0.436 0.000 1.073 468 Y CB 1.164 38.824 38.460 -1.334 0.000 1.211 468 Y HN 0.618 nan 8.280 nan 0.000 0.433 469 Q N 5.125 124.996 119.800 0.119 0.000 2.274 469 Q HA 0.519 4.859 4.340 -0.000 0.000 0.256 469 Q C -1.560 174.470 176.000 0.050 0.000 0.927 469 Q CA -0.547 55.305 55.803 0.081 0.000 0.939 469 Q CB 1.112 29.887 28.738 0.061 0.000 1.201 469 Q HN 0.992 nan 8.270 nan 0.000 0.426 470 L N 4.095 125.332 121.223 0.023 0.000 2.343 470 L HA 0.537 4.877 4.340 -0.000 0.000 0.275 470 L C -0.150 176.758 176.870 0.064 0.000 1.056 470 L CA -0.644 54.229 54.840 0.055 0.000 0.804 470 L CB 1.425 43.486 42.059 0.002 0.000 1.203 470 L HN 0.632 nan 8.230 nan 0.000 0.440 471 R N 1.802 122.329 120.500 0.044 0.000 2.472 471 R HA 0.271 4.611 4.340 -0.000 0.000 0.294 471 R C -1.081 175.048 176.300 -0.285 0.000 1.243 471 R CA -0.481 55.483 56.100 -0.225 0.000 1.023 471 R CB 1.433 31.685 30.300 -0.079 0.000 1.157 471 R HN 0.608 nan 8.270 nan 0.000 0.530 472 c N 2.576 120.884 118.600 -0.487 0.000 2.499 472 c HA 0.318 4.888 4.570 -0.000 0.000 0.386 472 c C 1.448 175.292 174.090 -0.410 0.000 1.293 472 c CA -0.147 55.799 56.329 -0.639 0.000 1.884 472 c CB -0.066 42.024 42.510 -0.700 0.000 2.509 472 c HN 0.953 nan 8.230 nan 0.000 0.566 473 S N 3.685 119.241 115.700 -0.239 0.000 2.730 473 S HA 0.610 5.080 4.470 -0.000 0.000 0.244 473 S C 0.319 174.866 174.600 -0.087 0.000 1.022 473 S CA 0.201 58.321 58.200 -0.133 0.000 1.014 473 S CB 0.059 63.215 63.200 -0.073 0.000 0.963 473 S HN 1.944 nan 8.310 nan 0.000 0.540 474 G N 1.899 110.638 108.800 -0.102 0.000 2.339 474 G HA2 0.364 4.324 3.960 -0.000 0.000 0.302 474 G HA3 0.364 4.324 3.960 -0.000 0.000 0.302 474 G C -2.988 171.897 174.900 -0.025 0.000 1.425 474 G CA -0.493 44.590 45.100 -0.027 0.000 0.899 474 G HN -0.132 nan 8.290 nan 0.000 0.619 475 P HA 0.090 nan 4.420 nan 0.000 0.225 475 P C 1.354 178.699 177.300 0.075 0.000 1.156 475 P CA 1.433 64.566 63.100 0.056 0.000 0.787 475 P CB 0.280 32.008 31.700 0.047 0.000 0.802 476 G N 0.513 109.289 108.800 -0.041 0.000 2.588 476 G HA2 0.349 4.309 3.960 -0.000 0.000 0.278 476 G HA3 0.349 4.309 3.960 -0.000 0.000 0.278 476 G C -0.128 174.544 174.900 -0.380 0.000 1.307 476 G CA -0.696 44.311 45.100 -0.154 0.000 1.016 476 G HN 0.050 nan 8.290 nan 0.000 0.503 477 L N 0.983 121.865 121.223 -0.567 0.000 2.485 477 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 477 L C -1.833 174.817 176.870 -0.367 0.000 1.207 477 L CA -1.231 53.178 54.840 -0.720 0.000 0.855 477 L CB 0.500 42.242 42.059 -0.528 0.000 1.114 477 L HN 0.247 nan 8.230 nan 0.000 0.485 478 P HA -0.029 nan 4.420 nan 0.000 0.263 478 P C -0.910 176.288 177.300 -0.170 0.000 1.175 478 P CA 0.167 63.154 63.100 -0.189 0.000 0.761 478 P CB 0.454 32.148 31.700 -0.010 0.000 0.794 479 L N 5.565 126.604 121.223 -0.306 0.000 2.441 479 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 479 L C -1.795 174.899 176.870 -0.293 0.000 0.973 479 L CA -0.719 54.011 54.840 -0.184 0.000 0.842 479 L CB 0.710 42.684 42.059 -0.142 0.000 1.239 479 L HN 0.195 nan 8.230 nan 0.000 0.406 480 Y N 3.039 123.302 120.300 -0.062 0.000 2.328 480 Y HA 0.743 5.293 4.550 -0.000 0.000 0.337 480 Y C 0.814 176.624 175.900 -0.150 0.000 1.008 480 Y CA -0.339 57.708 58.100 -0.087 0.000 1.129 480 Y CB 1.743 40.144 38.460 -0.098 0.000 1.185 480 Y HN 0.702 nan 8.280 nan 0.000 0.476 481 T N 1.290 115.855 114.554 0.018 0.000 2.887 481 T HA 0.732 5.082 4.350 -0.000 0.000 0.292 481 T C -1.218 173.469 174.700 -0.022 0.000 1.087 481 T CA -1.012 61.069 62.100 -0.032 0.000 1.009 481 T CB 1.894 70.807 68.868 0.076 0.000 1.203 481 T HN 0.555 nan 8.240 nan 0.000 0.518 482 L N 1.100 122.216 121.223 -0.178 0.000 2.362 482 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 482 L C -1.260 175.414 176.870 -0.327 0.000 1.002 482 L CA -0.795 53.977 54.840 -0.113 0.000 0.818 482 L CB 1.848 43.807 42.059 -0.167 0.000 1.298 482 L HN 0.887 nan 8.230 nan 0.000 0.420 483 H N 0.243 119.071 119.070 -0.403 0.000 2.949 483 H HA 0.521 5.077 4.556 -0.000 0.000 0.356 483 H C -0.752 174.365 175.328 -0.352 0.000 1.212 483 H CA -0.832 54.887 56.048 -0.548 0.000 1.136 483 H CB 1.962 31.032 29.762 -1.153 0.000 1.869 483 H HN 0.416 nan 8.280 nan 0.000 0.556 484 S N -0.343 115.297 115.700 -0.100 0.000 2.498 484 S HA 0.308 4.778 4.470 -0.000 0.000 0.317 484 S C 0.347 174.971 174.600 0.041 0.000 1.090 484 S CA -0.634 57.564 58.200 -0.003 0.000 1.089 484 S CB 1.582 64.795 63.200 0.022 0.000 0.997 484 S HN 0.554 nan 8.310 nan 0.000 0.470 485 S N 2.738 118.495 115.700 0.095 0.000 2.359 485 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 485 S C 2.044 176.690 174.600 0.077 0.000 1.039 485 S CA 1.309 59.637 58.200 0.213 0.000 1.042 485 S CB -0.816 62.440 63.200 0.093 0.000 0.915 485 S HN 0.804 nan 8.310 nan 0.000 0.439 486 V N 2.548 122.449 119.914 -0.021 0.000 2.258 486 V HA -0.374 3.746 4.120 -0.000 0.000 0.259 486 V C 0.986 177.077 176.094 -0.006 0.000 1.076 486 V CA 2.684 64.971 62.300 -0.022 0.000 1.084 486 V CB -0.558 31.236 31.823 -0.049 0.000 0.706 486 V HN 0.666 nan 8.190 nan 0.000 0.461 487 N N -1.329 117.372 118.700 0.002 0.000 2.241 487 N HA 0.163 4.903 4.740 -0.000 0.000 0.238 487 N C -0.515 175.005 175.510 0.017 0.000 1.244 487 N CA 0.446 53.496 53.050 -0.000 0.000 0.880 487 N CB 0.536 39.022 38.487 -0.002 0.000 1.179 487 N HN 0.527 nan 8.380 nan 0.000 0.513 488 D N 1.164 121.605 120.400 0.068 0.000 2.837 488 D HA -0.166 4.474 4.640 -0.000 0.000 0.230 488 D C -0.371 175.972 176.300 0.071 0.000 1.152 488 D CA 1.169 55.255 54.000 0.144 0.000 0.736 488 D CB -0.879 39.988 40.800 0.110 0.000 1.084 488 D HN 0.428 nan 8.370 nan 0.000 0.429 489 K N 0.309 120.718 120.400 0.015 0.000 2.326 489 K HA 0.378 4.698 4.320 -0.000 0.000 0.275 489 K C 1.103 177.639 176.600 -0.107 0.000 1.018 489 K CA 0.107 56.375 56.287 -0.031 0.000 0.962 489 K CB 0.863 33.344 32.500 -0.032 0.000 0.953 489 K HN 0.115 nan 8.250 nan 0.000 0.475 490 G N 2.712 111.411 108.800 -0.167 0.000 2.338 490 G HA2 0.189 4.149 3.960 -0.000 0.000 0.295 490 G HA3 0.189 4.149 3.960 -0.000 0.000 0.295 490 G C 0.764 175.482 174.900 -0.302 0.000 1.132 490 G CA -0.454 44.404 45.100 -0.404 0.000 0.922 490 G HN 0.568 nan 8.290 nan 0.000 0.427 491 L N 1.752 122.773 121.223 -0.337 0.000 2.095 491 L HA 0.242 4.582 4.340 -0.000 0.000 0.204 491 L C 1.664 178.421 176.870 -0.189 0.000 1.080 491 L CA 0.933 55.654 54.840 -0.199 0.000 0.759 491 L CB -0.262 41.700 42.059 -0.162 0.000 0.914 491 L HN 0.799 nan 8.230 nan 0.000 0.439 492 R N -2.850 117.498 120.500 -0.253 0.000 3.086 492 R HA 0.265 4.604 4.340 -0.000 0.000 0.286 492 R C -1.685 174.485 176.300 -0.216 0.000 0.958 492 R CA -0.993 54.991 56.100 -0.193 0.000 0.822 492 R CB 0.825 31.042 30.300 -0.138 0.000 1.382 492 R HN -0.311 nan 8.270 nan 0.000 0.519 493 V N 2.502 122.318 119.914 -0.164 0.000 2.364 493 V HA 0.231 4.351 4.120 -0.000 0.000 0.272 493 V C 1.323 177.301 176.094 -0.193 0.000 1.036 493 V CA -0.520 61.689 62.300 -0.152 0.000 0.880 493 V CB 1.157 32.925 31.823 -0.093 0.000 0.991 493 V HN 0.602 nan 8.190 nan 0.000 0.460 494 L N 2.837 123.881 121.223 -0.298 0.000 2.240 494 L HA 0.210 4.550 4.340 -0.000 0.000 0.211 494 L C 0.712 177.445 176.870 -0.230 0.000 1.106 494 L CA 0.804 55.321 54.840 -0.539 0.000 0.793 494 L CB 0.146 41.449 42.059 -1.259 0.000 0.927 494 L HN 0.710 nan 8.230 nan 0.000 0.446 495 E N -0.092 120.081 120.200 -0.045 0.000 2.683 495 E HA 0.031 4.381 4.350 -0.000 0.000 0.339 495 E C -1.111 175.564 176.600 0.126 0.000 0.921 495 E CA -0.350 56.102 56.400 0.087 0.000 0.786 495 E CB 0.559 30.350 29.700 0.152 0.000 1.363 495 E HN 0.203 nan 8.360 nan 0.000 0.401 496 D N 2.937 123.371 120.400 0.057 0.000 2.363 496 D HA 0.186 4.826 4.640 -0.000 0.000 0.214 496 D C -0.164 176.143 176.300 0.012 0.000 1.093 496 D CA -0.232 53.783 54.000 0.025 0.000 0.837 496 D CB 0.062 40.855 40.800 -0.011 0.000 0.948 496 D HN 0.403 nan 8.370 nan 0.000 0.507 497 N N 0.169 118.894 118.700 0.041 0.000 2.725 497 N HA -0.216 4.523 4.740 -0.000 0.000 0.249 497 N C 0.838 176.348 175.510 0.001 0.000 1.103 497 N CA 0.902 53.966 53.050 0.023 0.000 0.707 497 N CB -1.388 37.095 38.487 -0.007 0.000 1.043 497 N HN 0.460 nan 8.380 nan 0.000 0.553 498 S N -0.745 114.960 115.700 0.007 0.000 2.370 498 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 498 S C 2.133 176.743 174.600 0.016 0.000 1.033 498 S CA 1.255 59.457 58.200 0.003 0.000 1.011 498 S CB -0.300 62.905 63.200 0.007 0.000 0.852 498 S HN 0.578 nan 8.310 nan 0.000 0.457 499 A N 2.435 125.274 122.820 0.032 0.000 1.859 499 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 499 A C 2.268 179.889 177.584 0.061 0.000 1.198 499 A CA 1.846 53.911 52.037 0.048 0.000 0.629 499 A CB -1.097 17.936 19.000 0.055 0.000 0.830 499 A HN 0.502 nan 8.150 nan 0.000 0.446 500 L N 0.366 121.628 121.223 0.064 0.000 2.042 500 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 500 L C 1.957 178.851 176.870 0.040 0.000 1.076 500 L CA 2.989 57.880 54.840 0.085 0.000 0.749 500 L CB -0.811 41.297 42.059 0.082 0.000 0.893 500 L HN 0.535 nan 8.230 nan 0.000 0.432 501 D N -0.739 119.659 120.400 -0.003 0.000 2.092 501 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 501 D C 2.017 178.315 176.300 -0.004 0.000 0.994 501 D CA 1.418 55.401 54.000 -0.029 0.000 0.828 501 D CB 0.032 40.804 40.800 -0.047 0.000 0.963 501 D HN 0.154 nan 8.370 nan 0.000 0.450 502 K N -0.011 120.398 120.400 0.014 0.000 2.044 502 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 502 K C 2.284 178.908 176.600 0.040 0.000 1.049 502 K CA 0.984 57.286 56.287 0.025 0.000 0.927 502 K CB -0.730 31.790 32.500 0.033 0.000 0.713 502 K HN 0.375 nan 8.250 nan 0.000 0.443 503 M N 0.535 120.174 119.600 0.066 0.000 2.065 503 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 503 M C 2.001 178.320 176.300 0.032 0.000 1.071 503 M CA 1.557 56.923 55.300 0.110 0.000 1.109 503 M CB -0.197 32.529 32.600 0.211 0.000 1.313 503 M HN 0.022 nan 8.290 nan 0.000 0.408 504 L N 0.311 121.501 121.223 -0.055 0.000 2.551 504 L HA -0.222 4.118 4.340 -0.000 0.000 0.230 504 L C 2.351 179.179 176.870 -0.070 0.000 1.163 504 L CA 0.918 55.667 54.840 -0.151 0.000 0.826 504 L CB -0.813 41.169 42.059 -0.129 0.000 0.943 504 L HN 0.563 nan 8.230 nan 0.000 0.452 505 Q N -1.523 118.265 119.800 -0.021 0.000 2.432 505 Q HA -0.048 4.292 4.340 -0.000 0.000 0.205 505 Q C 1.065 177.074 176.000 0.015 0.000 0.945 505 Q CA 0.505 56.306 55.803 -0.003 0.000 0.924 505 Q CB -0.109 28.633 28.738 0.006 0.000 1.016 505 Q HN 0.431 nan 8.270 nan 0.000 0.503 506 N N 1.033 119.748 118.700 0.024 0.000 2.398 506 N HA 0.068 4.808 4.740 -0.000 0.000 0.188 506 N C -0.375 175.168 175.510 0.055 0.000 1.122 506 N CA 0.235 53.315 53.050 0.050 0.000 0.866 506 N CB 1.367 39.901 38.487 0.078 0.000 0.970 506 N HN 0.166 nan 8.380 nan 0.000 0.462 507 V N 0.426 120.353 119.914 0.021 0.000 2.962 507 V HA 0.258 4.377 4.120 -0.000 0.000 0.313 507 V C -0.964 175.141 176.094 0.019 0.000 1.099 507 V CA -0.821 61.498 62.300 0.032 0.000 0.971 507 V CB 2.392 34.217 31.823 0.004 0.000 1.028 507 V HN -0.036 nan 8.190 nan 0.000 0.430 508 Q N 5.832 125.658 119.800 0.044 0.000 2.513 508 Q HA 0.307 4.647 4.340 -0.000 0.000 0.227 508 Q C -0.408 175.578 176.000 -0.022 0.000 1.257 508 Q CA -0.179 55.629 55.803 0.009 0.000 0.915 508 Q CB 0.503 29.260 28.738 0.032 0.000 1.507 508 Q HN 0.601 nan 8.270 nan 0.000 0.543 509 M N 3.587 123.154 119.600 -0.054 0.000 2.241 509 M HA 0.349 4.829 4.480 -0.000 0.000 0.335 509 M C -1.975 174.258 176.300 -0.112 0.000 1.122 509 M CA -2.198 53.053 55.300 -0.082 0.000 1.164 509 M CB -0.092 32.458 32.600 -0.084 0.000 1.459 509 M HN 0.288 nan 8.290 nan 0.000 0.461 510 P HA 0.331 nan 4.420 nan 0.000 0.283 510 P C -1.114 176.094 177.300 -0.154 0.000 1.271 510 P CA -0.448 62.558 63.100 -0.156 0.000 0.841 510 P CB 1.005 32.603 31.700 -0.170 0.000 1.122 511 S N 0.111 115.712 115.700 -0.165 0.000 2.638 511 S HA 0.562 5.032 4.470 -0.000 0.000 0.298 511 S C -0.365 174.136 174.600 -0.166 0.000 1.111 511 S CA -0.827 57.291 58.200 -0.136 0.000 1.027 511 S CB 1.799 64.933 63.200 -0.111 0.000 1.064 511 S HN 0.502 nan 8.310 nan 0.000 0.525 512 K N 0.571 120.899 120.400 -0.120 0.000 2.221 512 K HA 0.410 4.730 4.320 -0.000 0.000 0.258 512 K C -1.248 175.300 176.600 -0.087 0.000 0.944 512 K CA -0.580 55.639 56.287 -0.114 0.000 0.823 512 K CB 1.204 33.652 32.500 -0.088 0.000 1.113 512 K HN 0.754 nan 8.250 nan 0.000 0.431 513 K N 6.204 126.551 120.400 -0.089 0.000 2.559 513 K HA 0.248 4.568 4.320 -0.000 0.000 0.249 513 K C -1.311 175.257 176.600 -0.053 0.000 0.958 513 K CA -0.598 55.653 56.287 -0.061 0.000 0.901 513 K CB 0.951 33.404 32.500 -0.078 0.000 1.124 513 K HN 0.601 nan 8.250 nan 0.000 0.437 514 L N 4.247 125.459 121.223 -0.018 0.000 2.276 514 L HA 0.380 4.720 4.340 -0.000 0.000 0.286 514 L C -0.862 176.009 176.870 0.002 0.000 1.061 514 L CA 0.323 55.175 54.840 0.019 0.000 0.807 514 L CB 0.967 43.096 42.059 0.116 0.000 1.177 514 L HN 0.871 nan 8.230 nan 0.000 0.429 515 D N 2.963 123.205 120.400 -0.262 0.000 2.970 515 D HA 0.533 5.173 4.640 -0.000 0.000 0.344 515 D C -1.530 174.443 176.300 -0.545 0.000 1.365 515 D CA 0.058 53.817 54.000 -0.402 0.000 0.910 515 D CB 1.599 42.081 40.800 -0.530 0.000 1.445 515 D HN 0.262 nan 8.370 nan 0.000 0.532 516 F N -0.347 119.252 119.950 -0.586 0.000 2.686 516 F HA 0.681 5.208 4.527 -0.000 0.000 0.311 516 F C -1.049 174.803 175.800 0.086 0.000 1.128 516 F CA -1.042 56.773 58.000 -0.308 0.000 0.946 516 F CB 0.753 39.066 39.000 -1.145 0.000 1.336 516 F HN 0.352 nan 8.300 nan 0.000 0.457 517 I N -0.398 120.399 120.570 0.379 0.000 3.436 517 I HA 0.745 4.915 4.170 -0.000 0.000 0.300 517 I C -1.389 174.958 176.117 0.383 0.000 1.131 517 I CA -1.455 59.997 61.300 0.253 0.000 1.001 517 I CB 2.528 40.677 38.000 0.247 0.000 1.305 517 I HN 0.643 nan 8.210 nan 0.000 0.494 518 I N 3.007 123.739 120.570 0.270 0.000 2.439 518 I HA 0.370 4.540 4.170 -0.000 0.000 0.283 518 I C -0.866 175.398 176.117 0.245 0.000 1.023 518 I CA -0.427 61.028 61.300 0.258 0.000 1.100 518 I CB 1.770 39.877 38.000 0.179 0.000 1.238 518 I HN 0.349 nan 8.210 nan 0.000 0.445 519 L N 6.800 128.245 121.223 0.369 0.000 2.282 519 L HA 0.350 4.690 4.340 -0.000 0.000 0.288 519 L C 0.406 177.418 176.870 0.235 0.000 1.033 519 L CA -0.871 54.145 54.840 0.294 0.000 0.807 519 L CB 1.024 43.283 42.059 0.333 0.000 1.209 519 L HN 0.761 nan 8.230 nan 0.000 0.423 520 N N 4.473 123.252 118.700 0.132 0.000 2.903 520 N HA -0.296 4.444 4.740 -0.000 0.000 0.308 520 N C 0.084 175.647 175.510 0.088 0.000 1.106 520 N CA 0.930 54.034 53.050 0.089 0.000 0.793 520 N CB -0.206 38.318 38.487 0.063 0.000 0.996 520 N HN 0.886 nan 8.380 nan 0.000 0.601 521 E N -2.631 117.610 120.200 0.068 0.000 4.666 521 E HA -0.183 4.167 4.350 -0.000 0.000 0.159 521 E C -0.155 176.455 176.600 0.016 0.000 1.083 521 E CA 2.090 58.513 56.400 0.039 0.000 2.496 521 E CB -1.701 28.015 29.700 0.027 0.000 1.689 521 E HN 0.778 nan 8.360 nan 0.000 0.531 522 T N 3.310 117.874 114.554 0.017 0.000 2.922 522 T HA 0.444 4.794 4.350 -0.000 0.000 0.285 522 T C 0.321 174.889 174.700 -0.220 0.000 1.005 522 T CA -0.446 61.566 62.100 -0.147 0.000 1.061 522 T CB 1.481 70.194 68.868 -0.259 0.000 1.007 522 T HN 0.138 nan 8.240 nan 0.000 0.502 523 K N 1.878 122.037 120.400 -0.402 0.000 2.235 523 K HA 0.560 4.880 4.320 -0.000 0.000 0.266 523 K C -1.530 174.755 176.600 -0.526 0.000 0.980 523 K CA -0.649 55.458 56.287 -0.300 0.000 0.849 523 K CB 1.049 33.298 32.500 -0.419 0.000 1.098 523 K HN 0.376 nan 8.250 nan 0.000 0.445 524 F N 1.645 121.663 119.950 0.113 0.000 2.482 524 F HA 0.376 4.903 4.527 -0.000 0.000 0.331 524 F C -0.545 175.316 175.800 0.101 0.000 1.115 524 F CA -0.804 57.236 58.000 0.067 0.000 0.955 524 F CB 1.051 40.041 39.000 -0.018 0.000 1.136 524 F HN 0.507 nan 8.300 nan 0.000 0.452 525 W N 3.306 124.690 121.300 0.141 0.000 2.303 525 W HA 0.499 5.159 4.660 -0.000 0.000 0.334 525 W C -0.481 176.159 176.519 0.202 0.000 1.197 525 W CA -0.529 56.937 57.345 0.202 0.000 1.262 525 W CB 0.459 29.984 29.460 0.108 0.000 1.153 525 W HN 0.470 nan 8.180 nan 0.000 0.596 526 Y N -0.654 119.952 120.300 0.510 0.000 2.655 526 Y HA 0.703 5.253 4.550 -0.000 0.000 0.336 526 Y C -1.156 174.976 175.900 0.386 0.000 1.154 526 Y CA -1.949 56.458 58.100 0.511 0.000 1.055 526 Y CB 1.153 40.108 38.460 0.825 0.000 1.295 526 Y HN 0.562 nan 8.280 nan 0.000 0.465 527 Q N 1.606 121.687 119.800 0.468 0.000 2.377 527 Q HA 0.737 5.077 4.340 -0.000 0.000 0.279 527 Q C -1.908 174.219 176.000 0.211 0.000 1.049 527 Q CA -1.131 54.800 55.803 0.214 0.000 0.825 527 Q CB 3.305 32.119 28.738 0.127 0.000 1.401 527 Q HN 0.842 nan 8.270 nan 0.000 0.404 528 M N 2.457 122.096 119.600 0.066 0.000 2.327 528 M HA 0.453 4.933 4.480 -0.000 0.000 0.298 528 M C -1.327 174.874 176.300 -0.166 0.000 1.065 528 M CA -0.906 54.345 55.300 -0.082 0.000 0.916 528 M CB 2.154 34.649 32.600 -0.175 0.000 1.630 528 M HN 0.606 nan 8.290 nan 0.000 0.442 529 I N 5.194 125.657 120.570 -0.179 0.000 2.301 529 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 529 I C -0.416 175.514 176.117 -0.313 0.000 1.046 529 I CA -0.253 60.922 61.300 -0.209 0.000 1.282 529 I CB 0.243 38.145 38.000 -0.162 0.000 1.409 529 I HN 0.634 nan 8.210 nan 0.000 0.484 530 L N 8.257 129.243 121.223 -0.396 0.000 2.309 530 L HA 0.471 4.811 4.340 -0.000 0.000 0.282 530 L C -2.190 174.455 176.870 -0.375 0.000 1.036 530 L CA -1.838 52.646 54.840 -0.592 0.000 0.806 530 L CB 1.300 42.825 42.059 -0.890 0.000 1.220 530 L HN 0.243 nan 8.230 nan 0.000 0.429 531 P HA 0.078 nan 4.420 nan 0.000 0.270 531 P C -2.492 174.762 177.300 -0.076 0.000 1.227 531 P CA -0.727 62.314 63.100 -0.098 0.000 0.788 531 P CB -0.078 31.682 31.700 0.100 0.000 0.926 532 P HA 0.083 nan 4.420 nan 0.000 0.272 532 P C -0.562 176.610 177.300 -0.213 0.000 1.230 532 P CA 0.159 63.078 63.100 -0.302 0.000 0.788 532 P CB -0.190 31.238 31.700 -0.454 0.000 0.949 533 H N -1.947 117.176 119.070 0.088 0.000 2.690 533 H HA -0.236 4.320 4.556 -0.000 0.000 0.309 533 H C -0.031 175.380 175.328 0.138 0.000 1.138 533 H CA -0.305 55.796 56.048 0.088 0.000 1.142 533 H CB -2.332 27.471 29.762 0.069 0.000 1.410 533 H HN 0.291 nan 8.280 nan 0.000 0.409 534 F N 2.567 122.519 119.950 0.003 0.000 2.593 534 F HA 0.069 4.596 4.527 -0.000 0.000 0.393 534 F C 0.550 176.357 175.800 0.011 0.000 1.037 534 F CA -0.312 57.649 58.000 -0.065 0.000 1.195 534 F CB 0.405 39.239 39.000 -0.278 0.000 1.034 534 F HN 0.262 nan 8.300 nan 0.000 0.552 535 D N 5.880 126.037 120.400 -0.404 0.000 2.462 535 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 535 D C 0.695 176.658 176.300 -0.562 0.000 1.117 535 D CA -0.596 53.175 54.000 -0.381 0.000 0.900 535 D CB 0.676 41.432 40.800 -0.074 0.000 1.039 535 D HN 0.638 nan 8.370 nan 0.000 0.516 536 K N 1.104 121.018 120.400 -0.810 0.000 2.588 536 K HA -0.183 4.137 4.320 -0.000 0.000 0.196 536 K C 1.368 177.950 176.600 -0.029 0.000 1.044 536 K CA 1.117 57.158 56.287 -0.410 0.000 0.934 536 K CB -0.019 32.380 32.500 -0.169 0.000 0.773 536 K HN 0.171 nan 8.250 nan 0.000 0.489 537 S N 0.313 115.975 115.700 -0.063 0.000 2.421 537 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 537 S C 0.799 175.412 174.600 0.022 0.000 1.035 537 S CA -0.133 58.063 58.200 -0.006 0.000 0.953 537 S CB 0.058 63.241 63.200 -0.028 0.000 0.810 537 S HN 0.385 nan 8.310 nan 0.000 0.497 538 K N 1.141 121.560 120.400 0.032 0.000 2.138 538 K HA 0.215 4.535 4.320 -0.000 0.000 0.251 538 K C -0.840 175.826 176.600 0.110 0.000 1.015 538 K CA -0.114 56.177 56.287 0.007 0.000 0.917 538 K CB 0.427 32.880 32.500 -0.080 0.000 1.021 538 K HN 0.111 nan 8.250 nan 0.000 0.485 539 K N 2.741 123.133 120.400 -0.014 0.000 2.425 539 K HA 0.209 4.529 4.320 -0.000 0.000 0.259 539 K C -1.456 175.139 176.600 -0.008 0.000 0.978 539 K CA -0.581 55.757 56.287 0.085 0.000 0.883 539 K CB 0.959 33.465 32.500 0.010 0.000 1.110 539 K HN 0.340 nan 8.250 nan 0.000 0.436 540 Y N 3.186 123.538 120.300 0.087 0.000 2.310 540 Y HA 0.233 4.783 4.550 -0.000 0.000 0.326 540 Y C -1.872 173.970 175.900 -0.095 0.000 1.151 540 Y CA -2.702 55.414 58.100 0.026 0.000 1.195 540 Y CB 0.307 38.839 38.460 0.119 0.000 1.210 540 Y HN 0.464 nan 8.280 nan 0.000 0.483 541 P HA 0.163 nan 4.420 nan 0.000 0.272 541 P C -1.034 176.122 177.300 -0.241 0.000 1.223 541 P CA -0.215 62.584 63.100 -0.501 0.000 0.784 541 P CB 1.548 32.569 31.700 -1.133 0.000 0.923 542 L N 2.469 123.595 121.223 -0.162 0.000 2.410 542 L HA 0.506 4.846 4.340 -0.000 0.000 0.270 542 L C -1.168 175.894 176.870 0.319 0.000 0.983 542 L CA -0.969 53.930 54.840 0.097 0.000 0.822 542 L CB 1.595 43.712 42.059 0.097 0.000 1.285 542 L HN 0.252 nan 8.230 nan 0.000 0.409 543 L N 5.797 127.212 121.223 0.321 0.000 2.280 543 L HA 0.422 4.762 4.340 -0.000 0.000 0.287 543 L C -1.147 175.937 176.870 0.357 0.000 1.023 543 L CA -0.867 54.205 54.840 0.386 0.000 0.819 543 L CB 1.696 43.929 42.059 0.289 0.000 1.212 543 L HN 0.637 nan 8.230 nan 0.000 0.420 544 L N 5.418 126.897 121.223 0.426 0.000 2.283 544 L HA 0.302 4.642 4.340 -0.000 0.000 0.287 544 L C -0.125 176.964 176.870 0.365 0.000 1.073 544 L CA 0.218 55.294 54.840 0.394 0.000 0.822 544 L CB 0.691 43.022 42.059 0.453 0.000 1.186 544 L HN 0.486 nan 8.230 nan 0.000 0.436 545 D N 4.258 124.845 120.400 0.312 0.000 2.295 545 D HA 0.310 4.950 4.640 -0.000 0.000 0.248 545 D C -1.052 175.321 176.300 0.122 0.000 1.154 545 D CA 0.107 54.212 54.000 0.175 0.000 0.857 545 D CB 1.471 42.411 40.800 0.234 0.000 1.117 545 D HN 0.379 nan 8.370 nan 0.000 0.468 546 V N 5.073 124.993 119.914 0.010 0.000 3.007 546 V HA 0.459 4.579 4.120 -0.000 0.000 0.311 546 V C -1.328 174.855 176.094 0.148 0.000 1.120 546 V CA -0.439 61.932 62.300 0.118 0.000 0.980 546 V CB 1.998 33.901 31.823 0.133 0.000 1.033 546 V HN 0.642 nan 8.190 nan 0.000 0.429 547 Y N 4.723 125.086 120.300 0.104 0.000 3.208 547 Y HA 0.616 5.166 4.550 -0.000 0.000 0.205 547 Y C 1.529 177.548 175.900 0.198 0.000 0.923 547 Y CA 1.530 59.715 58.100 0.142 0.000 1.596 547 Y CB 0.130 38.652 38.460 0.103 0.000 1.478 547 Y HN 1.532 nan 8.280 nan 0.000 0.409 548 A N 0.979 123.903 122.820 0.173 0.000 2.860 548 A HA -0.126 4.194 4.320 -0.000 0.000 0.267 548 A C 0.824 178.213 177.584 -0.325 0.000 1.421 548 A CA 0.929 52.998 52.037 0.052 0.000 0.831 548 A CB -2.355 16.734 19.000 0.148 0.000 1.041 548 A HN 0.977 nan 8.150 nan 0.000 0.623 549 G N -0.234 108.186 108.800 -0.634 0.000 2.539 549 G HA2 0.527 4.487 3.960 -0.000 0.000 0.258 549 G HA3 0.527 4.487 3.960 -0.000 0.000 0.258 549 G C -1.772 172.846 174.900 -0.470 0.000 1.202 549 G CA -0.796 43.580 45.100 -1.207 0.000 0.851 549 G HN 0.421 nan 8.290 nan 0.000 0.556 550 P HA -0.009 nan 4.420 nan 0.000 0.258 550 P C 0.559 177.733 177.300 -0.211 0.000 1.187 550 P CA 0.391 63.261 63.100 -0.384 0.000 0.767 550 P CB 0.514 31.688 31.700 -0.876 0.000 0.770 551 C N 2.753 121.998 119.300 -0.092 0.000 4.623 551 C HA -0.117 4.343 4.460 -0.000 0.000 0.294 551 C C 0.757 175.748 174.990 0.001 0.000 1.274 551 C CA 0.877 59.799 59.018 -0.159 0.000 2.099 551 C CB -2.599 24.920 27.740 -0.368 0.000 1.221 551 C HN 0.789 nan 8.230 nan 0.000 0.767 552 S N -0.033 115.742 115.700 0.125 0.000 2.722 552 S HA 0.734 5.204 4.470 -0.000 0.000 0.292 552 S C -0.675 174.091 174.600 0.277 0.000 1.135 552 S CA -0.186 58.180 58.200 0.277 0.000 1.003 552 S CB 1.829 65.264 63.200 0.393 0.000 1.067 552 S HN 0.823 nan 8.310 nan 0.000 0.546 553 Q N -0.129 119.848 119.800 0.295 0.000 2.483 553 Q HA 0.320 4.660 4.340 -0.000 0.000 0.245 553 Q C -0.650 175.460 176.000 0.182 0.000 0.902 553 Q CA -0.517 55.443 55.803 0.262 0.000 0.767 553 Q CB 0.864 29.802 28.738 0.333 0.000 1.341 553 Q HN 0.627 nan 8.270 nan 0.000 0.453 554 K N 0.588 121.099 120.400 0.185 0.000 2.367 554 K HA 0.283 4.603 4.320 -0.000 0.000 0.194 554 K C -0.114 176.578 176.600 0.153 0.000 1.027 554 K CA 0.328 56.712 56.287 0.161 0.000 1.075 554 K CB 1.166 33.790 32.500 0.207 0.000 0.845 554 K HN 0.453 nan 8.250 nan 0.000 0.529 555 A N 2.771 125.690 122.820 0.165 0.000 2.394 555 A HA 0.381 4.701 4.320 -0.000 0.000 0.333 555 A C -0.784 176.856 177.584 0.093 0.000 1.397 555 A CA -0.653 51.482 52.037 0.163 0.000 0.884 555 A CB 0.022 19.174 19.000 0.254 0.000 1.147 555 A HN 0.221 nan 8.150 nan 0.000 0.505 556 D N -0.162 120.268 120.400 0.050 0.000 2.781 556 D HA 0.509 5.149 4.640 -0.000 0.000 0.295 556 D C 0.464 176.765 176.300 0.002 0.000 1.143 556 D CA 0.243 54.258 54.000 0.024 0.000 1.076 556 D CB 0.419 41.229 40.800 0.017 0.000 1.444 556 D HN 0.115 nan 8.370 nan 0.000 0.567 557 T N -2.432 112.134 114.554 0.020 0.000 3.214 557 T HA 0.339 4.689 4.350 -0.000 0.000 0.264 557 T C 0.202 174.862 174.700 -0.066 0.000 1.012 557 T CA -0.456 61.653 62.100 0.015 0.000 0.901 557 T CB -0.699 68.221 68.868 0.087 0.000 1.070 557 T HN 0.245 nan 8.240 nan 0.000 0.561 558 V N 2.645 122.423 119.914 -0.227 0.000 2.555 558 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 558 V C 0.112 176.142 176.094 -0.105 0.000 1.044 558 V CA -1.036 61.094 62.300 -0.282 0.000 1.026 558 V CB 0.091 31.624 31.823 -0.483 0.000 0.981 558 V HN 0.598 nan 8.190 nan 0.000 0.480 559 F N 6.837 126.689 119.950 -0.163 0.000 2.472 559 F HA 0.461 4.988 4.527 -0.000 0.000 0.364 559 F C 0.588 176.327 175.800 -0.101 0.000 1.090 559 F CA 0.044 57.973 58.000 -0.117 0.000 1.188 559 F CB 0.053 38.993 39.000 -0.101 0.000 1.105 559 F HN 0.447 nan 8.300 nan 0.000 0.536 560 R N 5.471 125.546 120.500 -0.709 0.000 2.744 560 R HA 0.595 4.935 4.340 -0.000 0.000 0.279 560 R C -1.852 174.048 176.300 -0.667 0.000 0.977 560 R CA -1.274 54.523 56.100 -0.505 0.000 0.906 560 R CB 1.916 32.064 30.300 -0.252 0.000 1.197 560 R HN 0.477 nan 8.270 nan 0.000 0.463 561 L N 3.789 124.783 121.223 -0.382 0.000 2.433 561 L HA 0.311 4.651 4.340 -0.000 0.000 0.256 561 L C -0.911 175.904 176.870 -0.090 0.000 1.063 561 L CA -0.420 54.224 54.840 -0.326 0.000 0.922 561 L CB 0.371 42.350 42.059 -0.132 0.000 1.238 561 L HN 0.728 nan 8.230 nan 0.000 0.466 562 N N -0.480 118.102 118.700 -0.197 0.000 3.369 562 N HA 0.232 4.972 4.740 -0.000 0.000 0.362 562 N C 0.550 175.714 175.510 -0.576 0.000 1.523 562 N CA -0.743 52.093 53.050 -0.357 0.000 0.684 562 N CB -0.091 38.318 38.487 -0.130 0.000 1.796 562 N HN 0.163 nan 8.380 nan 0.000 0.641 563 W N 0.252 121.004 121.300 -0.913 0.000 2.374 563 W HA 0.207 4.867 4.660 -0.000 0.000 0.288 563 W C 1.974 178.474 176.519 -0.031 0.000 1.218 563 W CA 2.147 59.217 57.345 -0.458 0.000 1.245 563 W CB -0.925 28.441 29.460 -0.157 0.000 1.126 563 W HN 0.662 nan 8.180 nan 0.000 0.545 564 A N -0.562 122.235 122.820 -0.039 0.000 1.930 564 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 564 A C 1.965 179.447 177.584 -0.170 0.000 1.175 564 A CA 2.351 54.302 52.037 -0.143 0.000 0.627 564 A CB -1.247 17.737 19.000 -0.027 0.000 0.815 564 A HN 0.257 nan 8.150 nan 0.000 0.443 565 T N -0.981 113.489 114.554 -0.140 0.000 2.684 565 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 565 T C 1.822 176.553 174.700 0.051 0.000 1.036 565 T CA 1.847 63.851 62.100 -0.160 0.000 1.148 565 T CB -0.527 68.093 68.868 -0.414 0.000 0.863 565 T HN 0.662 nan 8.240 nan 0.000 0.436 566 Y N 2.057 122.452 120.300 0.159 0.000 2.145 566 Y HA -0.035 4.515 4.550 -0.000 0.000 0.286 566 Y C 1.964 177.853 175.900 -0.018 0.000 1.145 566 Y CA 0.930 59.143 58.100 0.188 0.000 1.148 566 Y CB -0.781 37.779 38.460 0.168 0.000 0.981 566 Y HN 0.135 nan 8.280 nan 0.000 0.507 567 L N 0.013 120.783 121.223 -0.755 0.000 2.083 567 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 567 L C 2.759 179.377 176.870 -0.421 0.000 1.083 567 L CA 1.145 55.496 54.840 -0.814 0.000 0.752 567 L CB -0.927 40.698 42.059 -0.723 0.000 0.899 567 L HN 0.411 nan 8.230 nan 0.000 0.433 568 A N -0.891 121.762 122.820 -0.278 0.000 1.843 568 A HA -0.177 4.143 4.320 -0.000 0.000 0.213 568 A C 2.502 180.014 177.584 -0.120 0.000 1.202 568 A CA 1.549 53.480 52.037 -0.176 0.000 0.607 568 A CB -0.812 18.079 19.000 -0.182 0.000 0.847 568 A HN 0.310 nan 8.150 nan 0.000 0.445 569 S N -0.985 114.661 115.700 -0.091 0.000 2.359 569 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 569 S C 2.054 176.658 174.600 0.008 0.000 1.038 569 S CA 2.666 60.858 58.200 -0.013 0.000 1.051 569 S CB -0.635 62.620 63.200 0.092 0.000 0.944 569 S HN 0.590 nan 8.310 nan 0.000 0.433 570 T N 1.622 116.164 114.554 -0.020 0.000 2.818 570 T HA 0.109 4.458 4.350 -0.000 0.000 0.246 570 T C 1.527 176.197 174.700 -0.050 0.000 1.036 570 T CA 0.913 63.018 62.100 0.008 0.000 1.160 570 T CB -0.329 68.607 68.868 0.113 0.000 0.869 570 T HN 0.367 nan 8.240 nan 0.000 0.419 571 E N 1.618 121.702 120.200 -0.193 0.000 2.511 571 E HA 0.050 4.400 4.350 -0.000 0.000 0.196 571 E C -0.086 176.487 176.600 -0.045 0.000 1.066 571 E CA -0.023 56.301 56.400 -0.126 0.000 0.871 571 E CB -0.841 28.720 29.700 -0.232 0.000 0.863 571 E HN 0.555 nan 8.360 nan 0.000 0.520 572 N N 0.739 119.427 118.700 -0.019 0.000 2.686 572 N HA -0.207 4.533 4.740 -0.000 0.000 0.261 572 N C -0.818 174.774 175.510 0.136 0.000 1.001 572 N CA 0.376 53.482 53.050 0.093 0.000 0.764 572 N CB -1.196 37.369 38.487 0.129 0.000 0.898 572 N HN 0.264 nan 8.380 nan 0.000 0.544 573 I N 0.349 120.942 120.570 0.037 0.000 2.603 573 I HA 0.416 4.586 4.170 -0.000 0.000 0.300 573 I C 0.440 176.550 176.117 -0.011 0.000 1.017 573 I CA -1.014 60.319 61.300 0.055 0.000 1.098 573 I CB 1.701 39.737 38.000 0.060 0.000 1.279 573 I HN 0.027 nan 8.210 nan 0.000 0.437 574 I N 5.591 126.157 120.570 -0.007 0.000 2.297 574 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 574 I C -0.469 175.611 176.117 -0.061 0.000 1.033 574 I CA -0.590 60.633 61.300 -0.127 0.000 1.253 574 I CB 1.119 39.019 38.000 -0.167 0.000 1.396 574 I HN 0.170 nan 8.210 nan 0.000 0.476 575 V N 6.600 126.463 119.914 -0.084 0.000 2.364 575 V HA 0.599 4.719 4.120 -0.000 0.000 0.272 575 V C 0.467 176.559 176.094 -0.004 0.000 1.036 575 V CA -0.310 61.992 62.300 0.003 0.000 0.880 575 V CB 1.036 32.860 31.823 0.001 0.000 0.991 575 V HN 0.834 nan 8.190 nan 0.000 0.460 576 A N 4.164 127.012 122.820 0.046 0.000 2.380 576 A HA 0.922 5.242 4.320 -0.000 0.000 0.315 576 A C -0.273 177.447 177.584 0.226 0.000 1.101 576 A CA -0.511 51.552 52.037 0.044 0.000 0.771 576 A CB 1.914 20.759 19.000 -0.258 0.000 1.287 576 A HN 0.648 nan 8.150 nan 0.000 0.436 577 S N -0.124 115.762 115.700 0.310 0.000 2.570 577 S HA 0.788 5.258 4.470 -0.000 0.000 0.286 577 S C -1.453 173.499 174.600 0.586 0.000 1.099 577 S CA -0.287 58.146 58.200 0.388 0.000 0.913 577 S CB 1.291 64.658 63.200 0.278 0.000 1.085 577 S HN 0.719 nan 8.310 nan 0.000 0.480 578 F N 1.626 121.808 119.950 0.387 0.000 2.565 578 F HA 0.493 5.020 4.527 -0.000 0.000 0.313 578 F C -1.398 174.605 175.800 0.338 0.000 1.091 578 F CA -0.729 57.525 58.000 0.422 0.000 0.915 578 F CB 1.569 40.785 39.000 0.359 0.000 1.208 578 F HN 0.378 nan 8.300 nan 0.000 0.453 579 D N 4.196 124.435 120.400 -0.268 0.000 2.460 579 D HA 0.370 5.010 4.640 -0.000 0.000 0.232 579 D C 0.277 176.403 176.300 -0.289 0.000 1.079 579 D CA 0.087 54.028 54.000 -0.099 0.000 0.864 579 D CB 1.504 42.353 40.800 0.080 0.000 1.048 579 D HN 0.768 nan 8.370 nan 0.000 0.523 580 G N 1.299 110.069 108.800 -0.051 0.000 2.849 580 G HA2 0.279 4.239 3.960 -0.000 0.000 0.174 580 G HA3 0.279 4.239 3.960 -0.000 0.000 0.174 580 G C 0.076 175.050 174.900 0.124 0.000 1.370 580 G CA -0.573 44.531 45.100 0.006 0.000 1.040 580 G HN 0.228 nan 8.290 nan 0.000 0.582 581 R N -0.554 119.980 120.500 0.056 0.000 2.538 581 R HA 0.409 4.749 4.340 -0.000 0.000 0.282 581 R C 1.216 177.613 176.300 0.162 0.000 1.009 581 R CA 1.846 58.033 56.100 0.145 0.000 1.063 581 R CB 0.517 30.887 30.300 0.117 0.000 0.945 581 R HN 1.189 nan 8.270 nan 0.000 0.414 582 G N 1.179 110.068 108.800 0.149 0.000 2.284 582 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 582 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 582 G C 0.039 174.982 174.900 0.072 0.000 1.009 582 G CA 0.016 45.187 45.100 0.118 0.000 0.625 582 G HN 0.628 nan 8.290 nan 0.000 0.501 583 S N 1.272 117.026 115.700 0.091 0.000 2.558 583 S HA 0.458 4.928 4.470 -0.000 0.000 0.287 583 S C 1.030 175.621 174.600 -0.016 0.000 1.321 583 S CA 0.505 58.748 58.200 0.073 0.000 1.048 583 S CB 1.098 64.375 63.200 0.128 0.000 0.844 583 S HN 1.333 nan 8.310 nan 0.000 0.512 584 G N 0.196 108.938 108.800 -0.098 0.000 2.613 584 G HA2 0.501 4.461 3.960 -0.000 0.000 0.303 584 G HA3 0.501 4.461 3.960 -0.000 0.000 0.303 584 G C -0.827 173.904 174.900 -0.281 0.000 1.312 584 G CA -0.800 44.078 45.100 -0.369 0.000 1.036 584 G HN 0.789 nan 8.290 nan 0.000 0.513 585 Y N -2.415 117.870 120.300 -0.025 0.000 4.604 585 Y HA -0.225 4.325 4.550 -0.000 0.000 0.230 585 Y C 1.543 177.413 175.900 -0.050 0.000 1.066 585 Y CA 1.141 59.226 58.100 -0.026 0.000 1.990 585 Y CB -2.071 36.395 38.460 0.010 0.000 1.619 585 Y HN 0.541 nan 8.280 nan 0.000 0.649 586 Q N -0.155 119.614 119.800 -0.051 0.000 2.127 586 Q HA 0.497 4.837 4.340 -0.000 0.000 0.222 586 Q C 1.016 176.808 176.000 -0.345 0.000 0.794 586 Q CA 0.288 56.043 55.803 -0.079 0.000 1.010 586 Q CB 1.712 30.424 28.738 -0.043 0.000 1.170 586 Q HN 0.575 nan 8.270 nan 0.000 0.479 587 G N 0.732 109.225 108.800 -0.511 0.000 2.587 587 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 587 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 587 G C -0.691 173.824 174.900 -0.641 0.000 1.236 587 G CA -0.628 43.916 45.100 -0.927 0.000 0.820 587 G HN 0.070 nan 8.290 nan 0.000 0.645 588 D N -0.180 119.821 120.400 -0.666 0.000 2.312 588 D HA -0.014 4.626 4.640 -0.000 0.000 0.211 588 D C 2.139 178.177 176.300 -0.437 0.000 0.964 588 D CA 0.985 54.573 54.000 -0.687 0.000 0.877 588 D CB 0.135 40.438 40.800 -0.827 0.000 0.924 588 D HN 0.532 nan 8.370 nan 0.000 0.515 589 K N 0.345 120.544 120.400 -0.335 0.000 2.147 589 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 589 K C 1.841 178.370 176.600 -0.118 0.000 1.049 589 K CA 0.700 56.880 56.287 -0.179 0.000 0.936 589 K CB 0.100 32.522 32.500 -0.131 0.000 0.722 589 K HN 0.140 nan 8.250 nan 0.000 0.446 590 I N 0.124 120.610 120.570 -0.140 0.000 2.429 590 I HA -0.175 3.995 4.170 -0.000 0.000 0.247 590 I C 2.534 178.651 176.117 -0.000 0.000 1.099 590 I CA 0.495 61.784 61.300 -0.017 0.000 1.422 590 I CB -0.079 37.928 38.000 0.011 0.000 1.112 590 I HN 0.215 nan 8.210 nan 0.000 0.430 591 M N 0.360 119.900 119.600 -0.101 0.000 2.132 591 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 591 M C 1.710 178.087 176.300 0.128 0.000 1.065 591 M CA 2.004 57.288 55.300 -0.028 0.000 1.122 591 M CB -0.311 32.193 32.600 -0.160 0.000 1.365 591 M HN 0.244 nan 8.290 nan 0.000 0.411 592 H N -0.449 118.538 119.070 -0.138 0.000 2.566 592 H HA 0.201 4.757 4.556 -0.000 0.000 0.280 592 H C 1.634 176.971 175.328 0.016 0.000 1.042 592 H CA 0.011 55.974 56.048 -0.142 0.000 1.168 592 H CB 0.130 29.708 29.762 -0.306 0.000 1.340 592 H HN 0.534 nan 8.280 nan 0.000 0.597 593 A N 1.292 124.212 122.820 0.167 0.000 2.066 593 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 593 A C 1.922 179.688 177.584 0.303 0.000 1.157 593 A CA 0.702 52.833 52.037 0.156 0.000 0.670 593 A CB -0.458 18.588 19.000 0.077 0.000 0.804 593 A HN 0.572 nan 8.150 nan 0.000 0.453 594 I N -3.628 117.120 120.570 0.297 0.000 3.914 594 I HA 0.203 4.373 4.170 -0.000 0.000 0.333 594 I C 0.224 176.463 176.117 0.203 0.000 1.449 594 I CA -0.578 60.887 61.300 0.275 0.000 1.135 594 I CB -0.409 37.722 38.000 0.218 0.000 1.073 594 I HN 0.130 nan 8.210 nan 0.000 0.401 595 N N 3.150 121.994 118.700 0.239 0.000 2.357 595 N HA -0.072 4.668 4.740 -0.000 0.000 0.257 595 N C 0.253 175.818 175.510 0.092 0.000 1.250 595 N CA 0.465 53.649 53.050 0.224 0.000 0.862 595 N CB 0.368 38.933 38.487 0.131 0.000 1.066 595 N HN 0.428 nan 8.380 nan 0.000 0.468 596 R N 0.449 120.987 120.500 0.064 0.000 4.000 596 R HA -0.209 4.131 4.340 -0.000 0.000 0.348 596 R C -0.268 175.969 176.300 -0.105 0.000 1.204 596 R CA 0.828 56.921 56.100 -0.011 0.000 0.987 596 R CB -0.852 29.444 30.300 -0.005 0.000 1.446 596 R HN 0.532 nan 8.270 nan 0.000 0.555 597 R N 0.804 121.254 120.500 -0.084 0.000 2.647 597 R HA 0.349 4.689 4.340 -0.000 0.000 0.295 597 R C -0.713 175.619 176.300 0.054 0.000 1.267 597 R CA -0.201 55.774 56.100 -0.207 0.000 1.386 597 R CB 0.454 30.606 30.300 -0.246 0.000 1.309 597 R HN 0.080 nan 8.270 nan 0.000 0.692 598 L N -0.401 120.902 121.223 0.134 0.000 2.452 598 L HA 0.367 4.707 4.340 -0.000 0.000 0.267 598 L C 1.233 178.324 176.870 0.368 0.000 1.188 598 L CA 0.595 55.528 54.840 0.155 0.000 0.821 598 L CB 0.869 42.820 42.059 -0.179 0.000 1.102 598 L HN 0.675 nan 8.230 nan 0.000 0.470 599 G N 0.606 109.659 108.800 0.423 0.000 2.160 599 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 599 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 599 G C 0.297 175.281 174.900 0.140 0.000 1.022 599 G CA 0.498 45.797 45.100 0.332 0.000 0.741 599 G HN 0.891 nan 8.290 nan 0.000 0.508 600 T N -4.123 110.478 114.554 0.079 0.000 2.639 600 T HA 0.498 4.848 4.350 -0.000 0.000 0.156 600 T C 1.543 176.202 174.700 -0.068 0.000 0.817 600 T CA 0.846 62.883 62.100 -0.106 0.000 0.914 600 T CB 0.054 68.692 68.868 -0.384 0.000 2.461 600 T HN 0.233 nan 8.240 nan 0.000 0.367 601 F N 3.534 123.529 119.950 0.075 0.000 2.091 601 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 601 F C 2.872 178.706 175.800 0.058 0.000 1.103 601 F CA 1.719 59.750 58.000 0.051 0.000 1.228 601 F CB -0.746 38.283 39.000 0.047 0.000 0.984 601 F HN 0.596 nan 8.300 nan 0.000 0.477 602 E N 1.239 121.598 120.200 0.265 0.000 2.160 602 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 602 E C 2.304 179.005 176.600 0.168 0.000 0.991 602 E CA 1.837 58.364 56.400 0.211 0.000 0.810 602 E CB -1.258 28.568 29.700 0.210 0.000 0.742 602 E HN 0.391 nan 8.360 nan 0.000 0.466 603 V N 0.392 120.380 119.914 0.123 0.000 2.302 603 V HA -0.151 3.969 4.120 -0.000 0.000 0.243 603 V C 2.131 178.254 176.094 0.048 0.000 1.036 603 V CA 1.920 64.250 62.300 0.050 0.000 1.020 603 V CB -0.428 31.377 31.823 -0.030 0.000 0.657 603 V HN 0.127 nan 8.190 nan 0.000 0.453 604 E N 0.175 120.413 120.200 0.064 0.000 2.097 604 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 604 E C 1.939 178.561 176.600 0.036 0.000 1.000 604 E CA 1.963 58.399 56.400 0.061 0.000 0.804 604 E CB -0.222 29.546 29.700 0.112 0.000 0.740 604 E HN 0.680 nan 8.360 nan 0.000 0.454 605 D N -0.113 120.323 120.400 0.059 0.000 2.219 605 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 605 D C 1.850 178.099 176.300 -0.085 0.000 0.970 605 D CA 0.788 54.785 54.000 -0.006 0.000 0.851 605 D CB -0.098 40.756 40.800 0.090 0.000 0.943 605 D HN 0.033 nan 8.370 nan 0.000 0.488 606 Q N -0.040 119.778 119.800 0.031 0.000 2.230 606 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 606 Q C 1.991 178.014 176.000 0.038 0.000 0.963 606 Q CA 0.644 56.473 55.803 0.043 0.000 0.866 606 Q CB 0.016 28.813 28.738 0.098 0.000 0.931 606 Q HN 0.343 nan 8.270 nan 0.000 0.452 607 I N -0.378 120.223 120.570 0.052 0.000 2.333 607 I HA -0.141 4.029 4.170 -0.000 0.000 0.246 607 I C 2.057 178.143 176.117 -0.052 0.000 1.106 607 I CA 0.670 62.059 61.300 0.147 0.000 1.411 607 I CB -0.217 37.858 38.000 0.125 0.000 1.082 607 I HN 0.144 nan 8.210 nan 0.000 0.420 608 E N 1.701 121.810 120.200 -0.152 0.000 2.097 608 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 608 E C 2.186 178.519 176.600 -0.445 0.000 1.000 608 E CA 1.831 58.081 56.400 -0.250 0.000 0.804 608 E CB -0.267 29.289 29.700 -0.240 0.000 0.740 608 E HN 0.431 nan 8.360 nan 0.000 0.454 609 A N 0.773 123.182 122.820 -0.686 0.000 1.883 609 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 609 A C 2.444 179.449 177.584 -0.966 0.000 1.186 609 A CA 2.542 53.904 52.037 -1.125 0.000 0.624 609 A CB -0.924 17.227 19.000 -1.417 0.000 0.822 609 A HN 0.334 nan 8.150 nan 0.000 0.444 610 A N -0.638 121.964 122.820 -0.362 0.000 1.972 610 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 610 A C 2.227 179.671 177.584 -0.234 0.000 1.169 610 A CA 1.714 53.684 52.037 -0.110 0.000 0.635 610 A CB -0.453 18.502 19.000 -0.076 0.000 0.810 610 A HN 0.552 nan 8.150 nan 0.000 0.446 611 R N -0.919 119.405 120.500 -0.292 0.000 2.115 611 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 611 R C 2.074 178.218 176.300 -0.259 0.000 1.111 611 R CA 1.319 57.271 56.100 -0.246 0.000 0.976 611 R CB -0.106 30.068 30.300 -0.210 0.000 0.870 611 R HN 0.502 nan 8.270 nan 0.000 0.445 612 Q N -0.799 118.766 119.800 -0.390 0.000 2.212 612 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 612 Q C 1.736 177.559 176.000 -0.296 0.000 0.950 612 Q CA 0.960 56.536 55.803 -0.379 0.000 0.863 612 Q CB 0.084 28.508 28.738 -0.523 0.000 0.944 612 Q HN 0.302 nan 8.270 nan 0.000 0.465 613 F N 1.151 120.962 119.950 -0.232 0.000 2.149 613 F HA -0.114 4.413 4.527 -0.000 0.000 0.294 613 F C 2.724 178.339 175.800 -0.308 0.000 1.095 613 F CA 1.168 59.021 58.000 -0.246 0.000 1.276 613 F CB -1.215 37.691 39.000 -0.156 0.000 1.023 613 F HN 0.050 nan 8.300 nan 0.000 0.480 614 S N -0.206 115.460 115.700 -0.058 0.000 2.368 614 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 614 S C 1.509 175.996 174.600 -0.188 0.000 1.030 614 S CA 0.935 59.054 58.200 -0.136 0.000 0.999 614 S CB -0.522 62.603 63.200 -0.125 0.000 0.844 614 S HN 0.088 nan 8.310 nan 0.000 0.459 615 K N 0.989 121.288 120.400 -0.167 0.000 3.025 615 K HA 0.321 4.640 4.320 -0.000 0.000 0.260 615 K C 0.548 177.044 176.600 -0.174 0.000 1.023 615 K CA 0.188 56.383 56.287 -0.153 0.000 1.194 615 K CB -0.584 31.840 32.500 -0.127 0.000 1.094 615 K HN 0.587 nan 8.250 nan 0.000 0.460 616 M N -2.054 117.376 119.600 -0.283 0.000 2.279 616 M HA 0.097 4.577 4.480 -0.000 0.000 0.306 616 M C 1.025 177.048 176.300 -0.462 0.000 0.965 616 M CA 0.395 55.479 55.300 -0.361 0.000 1.038 616 M CB 0.979 33.270 32.600 -0.514 0.000 1.636 616 M HN 0.403 nan 8.290 nan 0.000 0.574 617 G N 1.552 110.109 108.800 -0.404 0.000 2.420 617 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.221 617 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.221 617 G C 0.497 175.292 174.900 -0.174 0.000 1.117 617 G CA 0.448 45.405 45.100 -0.238 0.000 0.657 617 G HN 0.500 nan 8.290 nan 0.000 0.512 618 F N 1.616 121.622 119.950 0.092 0.000 2.769 618 F HA 0.699 5.226 4.527 -0.000 0.000 0.304 618 F C 0.525 176.453 175.800 0.214 0.000 1.158 618 F CA -0.725 57.373 58.000 0.164 0.000 1.398 618 F CB -0.223 38.913 39.000 0.228 0.000 1.094 618 F HN 0.137 nan 8.300 nan 0.000 0.553 619 V N 1.642 121.562 119.914 0.010 0.000 2.398 619 V HA 0.186 4.306 4.120 -0.000 0.000 0.286 619 V C -0.717 175.375 176.094 -0.003 0.000 1.026 619 V CA -0.891 61.444 62.300 0.058 0.000 0.868 619 V CB 1.511 33.305 31.823 -0.048 0.000 0.982 619 V HN 0.106 nan 8.190 nan 0.000 0.443 620 D N 4.013 124.410 120.400 -0.004 0.000 2.339 620 D HA 0.083 4.723 4.640 -0.000 0.000 0.241 620 D C 1.038 177.286 176.300 -0.087 0.000 1.183 620 D CA -0.382 53.581 54.000 -0.062 0.000 0.859 620 D CB 0.750 41.492 40.800 -0.096 0.000 1.067 620 D HN 0.582 nan 8.370 nan 0.000 0.484 621 N N 3.361 122.012 118.700 -0.082 0.000 2.485 621 N HA -0.073 4.667 4.740 -0.000 0.000 0.199 621 N C 0.418 175.882 175.510 -0.077 0.000 1.236 621 N CA 0.157 53.152 53.050 -0.092 0.000 0.852 621 N CB 0.117 38.544 38.487 -0.100 0.000 1.018 621 N HN 0.430 nan 8.380 nan 0.000 0.457 622 K N -0.071 120.289 120.400 -0.067 0.000 2.355 622 K HA 0.237 4.557 4.320 -0.000 0.000 0.198 622 K C 0.144 176.732 176.600 -0.019 0.000 1.039 622 K CA -0.009 56.256 56.287 -0.037 0.000 1.075 622 K CB 0.768 33.247 32.500 -0.035 0.000 0.870 622 K HN 0.058 nan 8.250 nan 0.000 0.540 623 R N 1.335 121.786 120.500 -0.083 0.000 2.681 623 R HA 0.352 4.692 4.340 -0.000 0.000 0.277 623 R C -1.044 175.175 176.300 -0.134 0.000 1.563 623 R CA -0.129 55.879 56.100 -0.154 0.000 1.673 623 R CB 0.615 30.601 30.300 -0.524 0.000 1.258 623 R HN -0.016 nan 8.270 nan 0.000 0.650 624 I N 1.220 121.866 120.570 0.128 0.000 2.382 624 I HA 0.487 4.657 4.170 -0.000 0.000 0.286 624 I C 0.127 176.530 176.117 0.476 0.000 1.002 624 I CA -0.638 60.783 61.300 0.202 0.000 1.135 624 I CB 1.807 39.771 38.000 -0.060 0.000 1.288 624 I HN 0.286 nan 8.210 nan 0.000 0.448 625 A N 7.271 130.475 122.820 0.639 0.000 2.312 625 A HA 0.948 5.268 4.320 -0.000 0.000 0.310 625 A C -0.880 177.038 177.584 0.557 0.000 1.139 625 A CA -0.684 51.681 52.037 0.547 0.000 0.886 625 A CB 2.032 21.210 19.000 0.297 0.000 1.350 625 A HN 0.730 nan 8.150 nan 0.000 0.479 626 I N -0.291 120.524 120.570 0.409 0.000 2.787 626 I HA 0.601 4.771 4.170 -0.000 0.000 0.294 626 I C -2.229 174.143 176.117 0.426 0.000 1.365 626 I CA -0.535 60.955 61.300 0.316 0.000 1.029 626 I CB 1.708 39.639 38.000 -0.116 0.000 1.313 626 I HN 0.984 nan 8.210 nan 0.000 0.431 627 W N 6.854 128.270 121.300 0.193 0.000 3.248 627 W HA 0.829 5.489 4.660 -0.000 0.000 0.311 627 W C -1.553 175.114 176.519 0.247 0.000 1.258 627 W CA -0.940 56.538 57.345 0.222 0.000 1.191 627 W CB 1.017 30.657 29.460 0.299 0.000 1.389 627 W HN 0.833 nan 8.180 nan 0.000 0.561 628 G N 1.076 109.905 108.800 0.048 0.000 2.677 628 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 628 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 628 G C -2.701 172.238 174.900 0.065 0.000 1.435 628 G CA -0.659 44.335 45.100 -0.177 0.000 0.826 628 G HN 0.638 nan 8.290 nan 0.000 0.491 629 W N 0.742 121.969 121.300 -0.121 0.000 2.799 629 W HA 0.629 5.289 4.660 -0.000 0.000 0.349 629 W C 0.844 177.400 176.519 0.062 0.000 1.100 629 W CA 0.328 57.664 57.345 -0.014 0.000 1.174 629 W CB 1.939 31.382 29.460 -0.028 0.000 1.427 629 W HN 1.283 nan 8.180 nan 0.000 0.547 630 S N 1.844 117.840 115.700 0.494 0.000 4.059 630 S HA -0.435 4.035 4.470 -0.000 0.000 0.624 630 S C 1.085 175.826 174.600 0.235 0.000 2.019 630 S CA 1.842 60.320 58.200 0.464 0.000 4.197 630 S CB -1.861 61.701 63.200 0.603 0.000 0.215 630 S HN 0.774 nan 8.310 nan 0.000 0.609 631 Y N 2.354 122.679 120.300 0.042 0.000 2.207 631 Y HA 0.059 4.609 4.550 -0.000 0.000 0.287 631 Y C 2.456 178.277 175.900 -0.132 0.000 1.156 631 Y CA 2.615 60.617 58.100 -0.163 0.000 1.182 631 Y CB -1.125 37.020 38.460 -0.527 0.000 0.979 631 Y HN 0.566 nan 8.280 nan 0.000 0.521 632 G N -0.960 107.878 108.800 0.063 0.000 2.432 632 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 632 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 632 G C 1.918 176.878 174.900 0.099 0.000 1.135 632 G CA 0.744 45.912 45.100 0.114 0.000 0.767 632 G HN 0.584 nan 8.290 nan 0.000 0.550 633 G N -0.200 108.671 108.800 0.117 0.000 2.408 633 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 633 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 633 G C 1.598 176.534 174.900 0.060 0.000 1.150 633 G CA 1.089 46.241 45.100 0.085 0.000 0.776 633 G HN 0.464 nan 8.290 nan 0.000 0.542 634 Y N 1.221 121.441 120.300 -0.134 0.000 2.220 634 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 634 Y C 2.661 178.478 175.900 -0.138 0.000 1.129 634 Y CA 1.353 59.316 58.100 -0.229 0.000 1.161 634 Y CB -0.329 37.832 38.460 -0.498 0.000 0.997 634 Y HN 0.020 nan 8.280 nan 0.000 0.522 635 V N -0.040 119.755 119.914 -0.198 0.000 2.343 635 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 635 V C 2.294 178.276 176.094 -0.186 0.000 1.051 635 V CA 2.430 64.598 62.300 -0.221 0.000 1.036 635 V CB -1.212 30.639 31.823 0.046 0.000 0.654 635 V HN 0.493 nan 8.190 nan 0.000 0.451 636 T N -0.096 114.412 114.554 -0.078 0.000 2.699 636 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 636 T C 2.139 176.788 174.700 -0.085 0.000 1.036 636 T CA 2.018 64.085 62.100 -0.055 0.000 1.147 636 T CB -0.304 68.612 68.868 0.081 0.000 0.862 636 T HN 0.502 nan 8.240 nan 0.000 0.446 637 S N 1.015 116.685 115.700 -0.050 0.000 2.356 637 S HA -0.038 4.432 4.470 -0.000 0.000 0.223 637 S C 2.169 176.683 174.600 -0.143 0.000 1.032 637 S CA 0.968 59.151 58.200 -0.027 0.000 1.005 637 S CB -0.312 62.903 63.200 0.025 0.000 0.867 637 S HN 0.299 nan 8.310 nan 0.000 0.449 638 M N 1.006 120.434 119.600 -0.285 0.000 2.108 638 M HA -0.067 4.413 4.480 -0.000 0.000 0.261 638 M C 2.245 178.398 176.300 -0.245 0.000 1.066 638 M CA 1.204 56.324 55.300 -0.299 0.000 1.107 638 M CB -1.564 30.762 32.600 -0.458 0.000 1.356 638 M HN 0.175 nan 8.290 nan 0.000 0.406 639 V N 0.595 120.357 119.914 -0.254 0.000 2.261 639 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 639 V C 2.551 178.467 176.094 -0.297 0.000 1.047 639 V CA 1.456 63.606 62.300 -0.250 0.000 1.015 639 V CB -0.652 30.965 31.823 -0.342 0.000 0.642 639 V HN 0.420 nan 8.190 nan 0.000 0.446 640 L N 0.344 121.339 121.223 -0.380 0.000 2.187 640 L HA -0.099 4.241 4.340 -0.000 0.000 0.213 640 L C 2.200 178.560 176.870 -0.850 0.000 1.100 640 L CA 1.514 56.037 54.840 -0.528 0.000 0.765 640 L CB -0.751 40.977 42.059 -0.551 0.000 0.904 640 L HN 0.509 nan 8.230 nan 0.000 0.437 641 G N -1.421 106.930 108.800 -0.749 0.000 3.189 641 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.225 641 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.225 641 G C 1.537 176.281 174.900 -0.260 0.000 1.159 641 G CA 0.562 45.297 45.100 -0.608 0.000 0.763 641 G HN 0.435 nan 8.290 nan 0.000 0.549 642 S N -0.406 115.164 115.700 -0.217 0.000 2.428 642 S HA 0.256 4.726 4.470 -0.000 0.000 0.230 642 S C 2.040 176.593 174.600 -0.080 0.000 1.014 642 S CA 1.162 59.294 58.200 -0.113 0.000 0.957 642 S CB -0.233 62.919 63.200 -0.080 0.000 0.784 642 S HN 1.394 nan 8.310 nan 0.000 0.499 643 G N 1.152 109.894 108.800 -0.097 0.000 2.143 643 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.249 643 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.249 643 G C 0.997 175.882 174.900 -0.025 0.000 0.981 643 G CA 0.976 46.041 45.100 -0.058 0.000 0.665 643 G HN 1.335 nan 8.290 nan 0.000 0.528 644 S N -0.382 115.315 115.700 -0.005 0.000 2.442 644 S HA 0.260 4.730 4.470 -0.000 0.000 0.236 644 S C 2.627 177.228 174.600 0.003 0.000 1.007 644 S CA 1.681 59.889 58.200 0.014 0.000 0.965 644 S CB -0.387 62.850 63.200 0.062 0.000 0.773 644 S HN 2.430 nan 8.310 nan 0.000 0.504 645 G N -0.018 108.789 108.800 0.012 0.000 2.189 645 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 645 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 645 G C 0.740 175.617 174.900 -0.039 0.000 0.975 645 G CA 0.461 45.558 45.100 -0.005 0.000 0.644 645 G HN 0.700 nan 8.290 nan 0.000 0.537 646 V N -0.662 119.210 119.914 -0.070 0.000 2.719 646 V HA 0.284 4.404 4.120 -0.000 0.000 0.252 646 V C 1.026 176.828 176.094 -0.486 0.000 1.065 646 V CA 1.423 63.533 62.300 -0.317 0.000 1.086 646 V CB -0.313 31.206 31.823 -0.507 0.000 0.700 646 V HN 0.312 nan 8.190 nan 0.000 0.467 647 F N -0.402 119.560 119.950 0.019 0.000 2.469 647 F HA 0.438 4.964 4.527 -0.000 0.000 0.332 647 F C 0.951 176.790 175.800 0.065 0.000 1.103 647 F CA -0.793 57.244 58.000 0.062 0.000 0.979 647 F CB 1.662 40.703 39.000 0.069 0.000 1.137 647 F HN -0.281 nan 8.300 nan 0.000 0.463 648 K N 1.608 122.166 120.400 0.262 0.000 2.005 648 K HA 0.064 4.384 4.320 -0.000 0.000 0.206 648 K C 0.195 176.918 176.600 0.205 0.000 1.044 648 K CA 1.201 57.605 56.287 0.195 0.000 0.942 648 K CB 0.132 32.748 32.500 0.193 0.000 0.727 648 K HN 0.813 nan 8.250 nan 0.000 0.439 649 c N -2.134 116.610 118.600 0.240 0.000 3.161 649 c HA 0.967 5.537 4.570 -0.000 0.000 0.330 649 c C 0.086 174.388 174.090 0.355 0.000 1.396 649 c CA -0.481 56.011 56.329 0.270 0.000 1.536 649 c CB 0.956 43.517 42.510 0.085 0.000 1.978 649 c HN 0.510 nan 8.230 nan 0.000 0.454 650 G N -0.333 108.772 108.800 0.507 0.000 2.519 650 G HA2 0.621 4.581 3.960 -0.000 0.000 0.292 650 G HA3 0.621 4.581 3.960 -0.000 0.000 0.292 650 G C -1.951 173.209 174.900 0.432 0.000 1.507 650 G CA -0.672 44.698 45.100 0.450 0.000 0.806 650 G HN 0.953 nan 8.290 nan 0.000 0.523 651 I N 0.511 121.300 120.570 0.364 0.000 2.498 651 I HA 0.677 4.847 4.170 -0.000 0.000 0.290 651 I C 0.185 176.461 176.117 0.264 0.000 1.032 651 I CA -1.061 60.345 61.300 0.176 0.000 1.073 651 I CB 2.339 40.403 38.000 0.107 0.000 1.251 651 I HN 0.704 nan 8.210 nan 0.000 0.426 652 A N 6.138 129.018 122.820 0.100 0.000 2.319 652 A HA 0.778 5.098 4.320 -0.000 0.000 0.310 652 A C -0.823 176.713 177.584 -0.081 0.000 1.152 652 A CA -0.529 51.568 52.037 0.100 0.000 0.783 652 A CB 1.195 20.314 19.000 0.198 0.000 1.184 652 A HN 0.446 nan 8.150 nan 0.000 0.474 653 V N 2.119 121.940 119.914 -0.155 0.000 2.384 653 V HA 0.573 4.692 4.120 -0.000 0.000 0.287 653 V C 0.961 176.681 176.094 -0.623 0.000 1.020 653 V CA 0.356 62.336 62.300 -0.533 0.000 0.850 653 V CB 0.757 31.971 31.823 -1.015 0.000 0.987 653 V HN 2.136 nan 8.190 nan 0.000 0.436 654 A N 5.551 127.967 122.820 -0.673 0.000 2.640 654 A HA -0.104 4.216 4.320 -0.000 0.000 0.300 654 A C -1.522 175.935 177.584 -0.212 0.000 1.499 654 A CA 0.550 52.084 52.037 -0.839 0.000 0.759 654 A CB -1.641 17.039 19.000 -0.533 0.000 1.048 654 A HN 0.637 nan 8.150 nan 0.000 0.450 655 P HA 0.429 nan 4.420 nan 0.000 0.274 655 P C 0.048 177.321 177.300 -0.045 0.000 1.246 655 P CA -0.191 62.900 63.100 -0.016 0.000 0.795 655 P CB 1.167 32.879 31.700 0.020 0.000 1.006 656 V N 1.447 121.241 119.914 -0.200 0.000 2.539 656 V HA 0.144 4.264 4.120 -0.000 0.000 0.292 656 V C 1.584 177.491 176.094 -0.312 0.000 1.045 656 V CA 0.417 62.454 62.300 -0.437 0.000 0.945 656 V CB 1.076 32.258 31.823 -1.067 0.000 0.993 656 V HN 0.780 nan 8.190 nan 0.000 0.464 657 S N 3.603 119.148 115.700 -0.258 0.000 2.539 657 S HA 0.249 4.718 4.470 -0.000 0.000 0.226 657 S C 0.454 174.873 174.600 -0.302 0.000 1.054 657 S CA -0.414 57.690 58.200 -0.161 0.000 0.910 657 S CB 0.271 63.441 63.200 -0.051 0.000 0.818 657 S HN 0.844 nan 8.310 nan 0.000 0.490 658 R N -1.281 118.909 120.500 -0.517 0.000 2.536 658 R HA 0.451 4.791 4.340 -0.000 0.000 0.269 658 R C -1.012 174.942 176.300 -0.576 0.000 1.113 658 R CA -0.906 54.845 56.100 -0.582 0.000 0.948 658 R CB -0.221 29.723 30.300 -0.592 0.000 1.237 658 R HN 0.108 nan 8.270 nan 0.000 0.441 659 W N 1.396 122.586 121.300 -0.183 0.000 2.387 659 W HA -0.041 4.619 4.660 -0.000 0.000 0.272 659 W C 0.981 177.623 176.519 0.205 0.000 1.224 659 W CA 0.865 58.197 57.345 -0.021 0.000 1.210 659 W CB 0.187 29.559 29.460 -0.146 0.000 1.125 659 W HN 0.704 nan 8.180 nan 0.000 0.572 660 E N -0.967 119.407 120.200 0.291 0.000 2.478 660 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 660 E C 1.130 177.907 176.600 0.296 0.000 1.046 660 E CA 0.587 57.125 56.400 0.230 0.000 0.870 660 E CB -0.170 29.560 29.700 0.050 0.000 0.818 660 E HN 0.382 nan 8.360 nan 0.000 0.527 661 Y N -1.462 118.937 120.300 0.166 0.000 2.509 661 Y HA 0.074 4.624 4.550 -0.000 0.000 0.270 661 Y C 0.751 176.776 175.900 0.208 0.000 1.103 661 Y CA -0.388 57.784 58.100 0.120 0.000 1.278 661 Y CB -0.302 38.165 38.460 0.011 0.000 1.087 661 Y HN 0.007 nan 8.280 nan 0.000 0.542 662 Y N 2.319 122.784 120.300 0.276 0.000 2.326 662 Y HA 0.264 4.814 4.550 -0.000 0.000 0.324 662 Y C 0.353 176.474 175.900 0.369 0.000 1.291 662 Y CA -1.977 56.291 58.100 0.279 0.000 1.348 662 Y CB 0.297 38.928 38.460 0.285 0.000 1.294 662 Y HN 0.202 nan 8.280 nan 0.000 0.525 663 D N -0.219 119.980 120.400 -0.335 0.000 2.400 663 D HA 0.037 4.676 4.640 -0.000 0.000 0.238 663 D C 0.961 177.247 176.300 -0.024 0.000 1.157 663 D CA 0.495 54.308 54.000 -0.312 0.000 0.889 663 D CB 0.793 41.183 40.800 -0.682 0.000 1.199 663 D HN 0.485 nan 8.370 nan 0.000 0.436 664 S N 1.366 117.067 115.700 0.001 0.000 2.348 664 S HA -0.224 4.246 4.470 -0.000 0.000 0.221 664 S C 1.985 176.615 174.600 0.050 0.000 1.033 664 S CA 1.128 59.378 58.200 0.082 0.000 1.010 664 S CB -1.034 62.220 63.200 0.090 0.000 0.891 664 S HN 0.432 nan 8.310 nan 0.000 0.442 665 V N 0.836 120.713 119.914 -0.061 0.000 2.324 665 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 665 V C 2.283 178.282 176.094 -0.158 0.000 1.060 665 V CA 2.378 64.533 62.300 -0.241 0.000 1.042 665 V CB -1.033 30.492 31.823 -0.497 0.000 0.650 665 V HN 0.630 nan 8.190 nan 0.000 0.450 666 Y N 1.024 121.259 120.300 -0.109 0.000 2.177 666 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 666 Y C 2.756 178.701 175.900 0.076 0.000 1.117 666 Y CA 2.148 60.272 58.100 0.040 0.000 1.114 666 Y CB -0.668 37.974 38.460 0.303 0.000 1.017 666 Y HN 0.182 nan 8.280 nan 0.000 0.505 667 T N 0.574 115.408 114.554 0.466 0.000 2.635 667 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 667 T C 1.602 176.323 174.700 0.035 0.000 1.040 667 T CA 2.147 64.440 62.100 0.321 0.000 1.156 667 T CB -0.370 68.802 68.868 0.505 0.000 0.863 667 T HN 0.428 nan 8.240 nan 0.000 0.430 668 E N 0.362 120.594 120.200 0.054 0.000 2.110 668 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 668 E C 2.334 178.833 176.600 -0.170 0.000 0.988 668 E CA 0.627 57.040 56.400 0.021 0.000 0.804 668 E CB -0.149 29.602 29.700 0.086 0.000 0.745 668 E HN 0.318 nan 8.360 nan 0.000 0.458 669 R N -0.236 120.021 120.500 -0.406 0.000 2.226 669 R HA -0.215 4.125 4.340 -0.000 0.000 0.246 669 R C 0.962 176.726 176.300 -0.895 0.000 1.161 669 R CA 1.565 57.227 56.100 -0.729 0.000 0.997 669 R CB 0.013 29.588 30.300 -1.209 0.000 0.870 669 R HN 0.274 nan 8.270 nan 0.000 0.465 670 Y N -2.947 117.098 120.300 -0.426 0.000 2.526 670 Y HA 0.234 4.784 4.550 -0.000 0.000 0.265 670 Y C 1.689 177.430 175.900 -0.265 0.000 1.092 670 Y CA -0.176 57.669 58.100 -0.425 0.000 1.277 670 Y CB 0.420 38.491 38.460 -0.649 0.000 1.228 670 Y HN -0.054 nan 8.280 nan 0.000 0.507 671 M N -0.625 118.893 119.600 -0.137 0.000 2.491 671 M HA 0.403 4.883 4.480 -0.000 0.000 0.259 671 M C 1.097 177.428 176.300 0.051 0.000 1.163 671 M CA 1.038 56.244 55.300 -0.156 0.000 1.109 671 M CB -0.214 32.081 32.600 -0.508 0.000 1.353 671 M HN 0.330 nan 8.290 nan 0.000 0.500 672 G N 1.498 110.354 108.800 0.093 0.000 2.615 672 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 672 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 672 G C -1.117 173.930 174.900 0.245 0.000 1.339 672 G CA -0.933 44.251 45.100 0.140 0.000 0.884 672 G HN 0.201 nan 8.290 nan 0.000 0.559 673 L N 2.393 123.723 121.223 0.178 0.000 2.307 673 L HA 0.530 4.870 4.340 -0.000 0.000 0.282 673 L C -1.208 175.664 176.870 0.003 0.000 1.051 673 L CA -1.688 53.209 54.840 0.095 0.000 0.804 673 L CB 1.436 43.516 42.059 0.036 0.000 1.197 673 L HN 0.426 nan 8.230 nan 0.000 0.431 674 P HA 0.048 nan 4.420 nan 0.000 0.246 674 P C -0.437 176.719 177.300 -0.241 0.000 1.686 674 P CA -0.150 62.552 63.100 -0.664 0.000 0.867 674 P CB -0.580 30.397 31.700 -1.204 0.000 1.733 675 T N -3.154 111.343 114.554 -0.094 0.000 2.929 675 T HA 0.379 4.728 4.350 -0.000 0.000 0.284 675 T C -1.610 173.088 174.700 -0.003 0.000 1.014 675 T CA -2.339 59.735 62.100 -0.042 0.000 1.051 675 T CB 1.672 70.528 68.868 -0.020 0.000 1.028 675 T HN -0.172 nan 8.240 nan 0.000 0.485 676 P HA -0.118 nan 4.420 nan 0.000 0.218 676 P C 0.838 178.155 177.300 0.028 0.000 1.148 676 P CA 1.229 64.341 63.100 0.021 0.000 0.822 676 P CB 0.202 31.911 31.700 0.014 0.000 0.784 677 E N -0.546 119.666 120.200 0.020 0.000 2.204 677 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 677 E C 1.774 178.394 176.600 0.032 0.000 0.989 677 E CA 0.991 57.404 56.400 0.022 0.000 0.824 677 E CB -0.434 29.274 29.700 0.013 0.000 0.756 677 E HN 0.336 nan 8.360 nan 0.000 0.477 678 D N -0.398 120.027 120.400 0.042 0.000 2.525 678 D HA 0.058 4.698 4.640 -0.000 0.000 0.261 678 D C 0.408 176.766 176.300 0.096 0.000 1.379 678 D CA 0.363 54.401 54.000 0.063 0.000 1.074 678 D CB -0.013 40.828 40.800 0.069 0.000 0.939 678 D HN 0.026 nan 8.370 nan 0.000 0.272 679 N N -0.170 118.623 118.700 0.155 0.000 2.377 679 N HA 0.046 4.786 4.740 -0.000 0.000 0.259 679 N C 1.234 176.948 175.510 0.341 0.000 1.332 679 N CA -0.124 53.065 53.050 0.232 0.000 0.877 679 N CB 0.642 39.286 38.487 0.261 0.000 1.299 679 N HN -0.014 nan 8.380 nan 0.000 0.501 680 L N 0.823 122.165 121.223 0.197 0.000 2.129 680 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 680 L C 1.446 178.434 176.870 0.195 0.000 1.087 680 L CA 1.944 56.873 54.840 0.148 0.000 0.757 680 L CB -0.314 41.765 42.059 0.032 0.000 0.896 680 L HN 0.207 nan 8.230 nan 0.000 0.434 681 D N -1.413 119.087 120.400 0.166 0.000 2.097 681 D HA -0.248 4.392 4.640 -0.000 0.000 0.195 681 D C 1.979 178.390 176.300 0.186 0.000 0.989 681 D CA 1.730 55.816 54.000 0.144 0.000 0.827 681 D CB -0.148 40.721 40.800 0.115 0.000 0.966 681 D HN 0.566 nan 8.370 nan 0.000 0.456 682 H N -0.540 118.598 119.070 0.114 0.000 2.428 682 H HA -0.078 4.478 4.556 -0.000 0.000 0.296 682 H C 1.750 177.143 175.328 0.108 0.000 1.062 682 H CA 1.194 57.287 56.048 0.075 0.000 1.350 682 H CB -0.358 29.416 29.762 0.019 0.000 1.403 682 H HN 0.124 nan 8.280 nan 0.000 0.533 683 Y N 0.540 120.857 120.300 0.027 0.000 2.114 683 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 683 Y C 2.475 178.348 175.900 -0.045 0.000 1.165 683 Y CA 1.813 59.918 58.100 0.009 0.000 1.148 683 Y CB 0.056 38.548 38.460 0.054 0.000 0.972 683 Y HN 0.140 nan 8.280 nan 0.000 0.504 684 R N -0.127 120.456 120.500 0.139 0.000 2.115 684 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 684 R C 1.671 177.969 176.300 -0.002 0.000 1.111 684 R CA 1.248 57.379 56.100 0.052 0.000 0.976 684 R CB -1.000 29.334 30.300 0.056 0.000 0.870 684 R HN 0.403 nan 8.270 nan 0.000 0.445 685 N N 0.438 119.121 118.700 -0.029 0.000 2.250 685 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 685 N C 0.971 176.427 175.510 -0.090 0.000 1.017 685 N CA 1.297 54.324 53.050 -0.038 0.000 0.866 685 N CB -0.064 38.441 38.487 0.029 0.000 0.985 685 N HN 0.166 nan 8.380 nan 0.000 0.429 686 S N -0.282 115.287 115.700 -0.218 0.000 2.906 686 S HA 0.036 4.506 4.470 -0.000 0.000 0.234 686 S C 0.424 175.044 174.600 0.033 0.000 0.973 686 S CA -0.373 57.766 58.200 -0.101 0.000 1.036 686 S CB -1.317 61.775 63.200 -0.180 0.000 0.798 686 S HN 0.275 nan 8.310 nan 0.000 0.498 687 T N -2.415 112.125 114.554 -0.023 0.000 2.928 687 T HA 0.517 4.867 4.350 -0.000 0.000 0.284 687 T C 1.230 175.912 174.700 -0.031 0.000 1.008 687 T CA -0.770 61.302 62.100 -0.048 0.000 1.057 687 T CB 1.506 70.319 68.868 -0.092 0.000 1.018 687 T HN -0.026 nan 8.240 nan 0.000 0.493 688 V N 2.440 122.330 119.914 -0.039 0.000 2.427 688 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 688 V C 2.724 178.775 176.094 -0.072 0.000 1.051 688 V CA 1.675 63.942 62.300 -0.054 0.000 1.048 688 V CB -0.869 30.913 31.823 -0.068 0.000 0.666 688 V HN 0.877 nan 8.190 nan 0.000 0.456 689 M N 1.161 120.705 119.600 -0.094 0.000 2.213 689 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 689 M C 2.304 178.569 176.300 -0.058 0.000 1.062 689 M CA 2.075 57.314 55.300 -0.102 0.000 1.105 689 M CB -2.032 30.516 32.600 -0.087 0.000 1.385 689 M HN 0.548 nan 8.290 nan 0.000 0.417 690 S N 0.703 116.380 115.700 -0.038 0.000 2.500 690 S HA -0.055 4.415 4.470 -0.000 0.000 0.239 690 S C 1.791 176.392 174.600 0.001 0.000 0.989 690 S CA 0.710 58.899 58.200 -0.018 0.000 0.951 690 S CB -0.514 62.676 63.200 -0.017 0.000 0.759 690 S HN 0.621 nan 8.310 nan 0.000 0.523 691 R N 0.194 120.705 120.500 0.019 0.000 2.397 691 R HA 0.449 4.789 4.340 -0.000 0.000 0.241 691 R C 2.264 178.667 176.300 0.171 0.000 0.914 691 R CA 0.439 56.582 56.100 0.072 0.000 1.071 691 R CB -0.219 30.126 30.300 0.076 0.000 1.116 691 R HN 0.430 nan 8.270 nan 0.000 0.524 692 A N 1.777 124.639 122.820 0.070 0.000 1.954 692 A HA -0.340 3.980 4.320 -0.000 0.000 0.222 692 A C 2.006 179.676 177.584 0.144 0.000 1.199 692 A CA 2.191 54.231 52.037 0.005 0.000 0.657 692 A CB -0.382 18.553 19.000 -0.107 0.000 0.823 692 A HN 0.310 nan 8.150 nan 0.000 0.463 693 E N 0.500 120.756 120.200 0.093 0.000 2.065 693 E HA -0.225 4.125 4.350 -0.000 0.000 0.201 693 E C 1.580 178.243 176.600 0.104 0.000 1.016 693 E CA 2.101 58.550 56.400 0.082 0.000 0.818 693 E CB -0.575 29.152 29.700 0.046 0.000 0.749 693 E HN 0.814 nan 8.360 nan 0.000 0.453 694 N N -1.086 117.668 118.700 0.089 0.000 2.609 694 N HA -0.091 4.649 4.740 -0.000 0.000 0.190 694 N C 0.640 176.118 175.510 -0.053 0.000 1.157 694 N CA 0.085 53.136 53.050 0.001 0.000 0.918 694 N CB -0.128 38.312 38.487 -0.078 0.000 0.978 694 N HN 0.147 nan 8.380 nan 0.000 0.448 695 F N 1.368 121.279 119.950 -0.065 0.000 2.748 695 F HA 0.067 4.594 4.527 -0.000 0.000 0.299 695 F C 1.850 177.660 175.800 0.017 0.000 1.154 695 F CA 0.535 58.497 58.000 -0.065 0.000 1.446 695 F CB 0.070 38.989 39.000 -0.135 0.000 1.112 695 F HN -0.086 nan 8.300 nan 0.000 0.584 696 K N -0.324 120.171 120.400 0.159 0.000 2.209 696 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 696 K C 1.500 178.155 176.600 0.092 0.000 1.048 696 K CA 0.853 57.215 56.287 0.125 0.000 0.940 696 K CB -0.100 32.454 32.500 0.090 0.000 0.729 696 K HN 0.174 nan 8.250 nan 0.000 0.451 697 Q N 0.343 120.173 119.800 0.049 0.000 2.365 697 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 697 Q C 0.274 176.300 176.000 0.043 0.000 0.929 697 Q CA 0.261 56.083 55.803 0.032 0.000 0.948 697 Q CB 0.309 29.047 28.738 0.000 0.000 1.043 697 Q HN 0.208 nan 8.270 nan 0.000 0.505 698 V N -3.760 116.197 119.914 0.071 0.000 3.188 698 V HA 0.497 4.617 4.120 -0.000 0.000 0.305 698 V C -0.868 175.361 176.094 0.226 0.000 1.232 698 V CA -1.291 61.078 62.300 0.114 0.000 1.043 698 V CB 2.388 34.234 31.823 0.039 0.000 1.068 698 V HN -0.068 nan 8.190 nan 0.000 0.439 699 E N 1.740 122.100 120.200 0.267 0.000 2.044 699 E HA 0.403 4.753 4.350 -0.000 0.000 0.282 699 E C -1.803 175.145 176.600 0.581 0.000 1.031 699 E CA -0.315 56.308 56.400 0.371 0.000 0.824 699 E CB 1.345 31.200 29.700 0.259 0.000 1.076 699 E HN 0.656 nan 8.360 nan 0.000 0.395 700 Y N 3.600 124.140 120.300 0.401 0.000 2.409 700 Y HA 0.479 5.029 4.550 -0.000 0.000 0.339 700 Y C -1.286 174.716 175.900 0.171 0.000 1.033 700 Y CA -1.241 57.060 58.100 0.335 0.000 1.094 700 Y CB 0.966 39.672 38.460 0.410 0.000 1.210 700 Y HN 0.403 nan 8.280 nan 0.000 0.456 701 L N 7.816 128.736 121.223 -0.505 0.000 2.404 701 L HA 0.469 4.809 4.340 -0.000 0.000 0.272 701 L C -1.880 174.525 176.870 -0.775 0.000 0.980 701 L CA -0.710 53.708 54.840 -0.703 0.000 0.836 701 L CB 1.276 42.614 42.059 -1.202 0.000 1.238 701 L HN 0.655 nan 8.230 nan 0.000 0.408 702 L N 6.016 126.893 121.223 -0.576 0.000 2.307 702 L HA 0.612 4.952 4.340 -0.000 0.000 0.284 702 L C -0.922 175.834 176.870 -0.190 0.000 1.023 702 L CA -0.542 54.044 54.840 -0.423 0.000 0.810 702 L CB 1.769 43.658 42.059 -0.283 0.000 1.231 702 L HN 0.611 nan 8.230 nan 0.000 0.423 703 I N 3.691 124.164 120.570 -0.161 0.000 2.647 703 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 703 I C -0.974 175.127 176.117 -0.026 0.000 1.078 703 I CA -0.711 60.544 61.300 -0.075 0.000 1.048 703 I CB 2.169 40.096 38.000 -0.123 0.000 1.239 703 I HN 0.518 nan 8.210 nan 0.000 0.421 704 H N 2.524 121.651 119.070 0.095 0.000 3.079 704 H HA 0.424 4.980 4.556 -0.000 0.000 0.356 704 H C -0.841 174.724 175.328 0.394 0.000 1.221 704 H CA -0.591 55.564 56.048 0.178 0.000 1.185 704 H CB 2.525 32.338 29.762 0.085 0.000 1.882 704 H HN 0.757 nan 8.280 nan 0.000 0.543 705 G N 0.848 110.021 108.800 0.622 0.000 2.353 705 G HA2 0.238 4.198 3.960 -0.000 0.000 0.284 705 G HA3 0.238 4.198 3.960 -0.000 0.000 0.284 705 G C 1.112 176.301 174.900 0.483 0.000 1.172 705 G CA 0.194 45.603 45.100 0.515 0.000 0.854 705 G HN 0.646 nan 8.290 nan 0.000 0.485 706 T N -0.595 114.105 114.554 0.243 0.000 2.962 706 T HA 0.057 4.407 4.350 -0.000 0.000 0.270 706 T C 1.705 176.418 174.700 0.021 0.000 1.088 706 T CA 1.331 63.395 62.100 -0.061 0.000 1.127 706 T CB 0.151 68.930 68.868 -0.148 0.000 0.883 706 T HN 0.675 nan 8.240 nan 0.000 0.493 707 A N 0.893 123.796 122.820 0.138 0.000 2.610 707 A HA 0.309 4.629 4.320 -0.000 0.000 0.286 707 A C 0.460 178.027 177.584 -0.028 0.000 1.306 707 A CA -0.480 51.619 52.037 0.103 0.000 0.942 707 A CB -0.228 19.053 19.000 0.468 0.000 1.112 707 A HN 0.382 nan 8.150 nan 0.000 0.527 708 D N 1.638 122.048 120.400 0.017 0.000 2.342 708 D HA -0.018 4.622 4.640 -0.000 0.000 0.260 708 D C 0.429 176.678 176.300 -0.085 0.000 1.278 708 D CA 0.191 54.269 54.000 0.131 0.000 0.910 708 D CB 0.627 41.654 40.800 0.377 0.000 1.079 708 D HN 0.558 nan 8.370 nan 0.000 0.496 709 D N 2.594 122.974 120.400 -0.034 0.000 2.289 709 D HA -0.155 4.485 4.640 -0.000 0.000 0.207 709 D C 1.062 177.289 176.300 -0.121 0.000 0.966 709 D CA -0.001 53.927 54.000 -0.120 0.000 0.868 709 D CB 0.296 40.975 40.800 -0.201 0.000 0.943 709 D HN 0.249 nan 8.370 nan 0.000 0.514 710 N N 0.851 119.567 118.700 0.027 0.000 2.124 710 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 710 N C 0.015 175.390 175.510 -0.225 0.000 1.050 710 N CA 0.696 53.797 53.050 0.083 0.000 0.848 710 N CB 0.393 38.934 38.487 0.089 0.000 1.027 710 N HN -0.052 nan 8.380 nan 0.000 0.435 711 V N 2.750 122.500 119.914 -0.273 0.000 2.277 711 V HA 0.198 4.318 4.120 -0.000 0.000 0.269 711 V C -0.721 175.339 176.094 -0.057 0.000 1.036 711 V CA -0.475 61.709 62.300 -0.194 0.000 0.821 711 V CB -0.094 31.645 31.823 -0.140 0.000 1.052 711 V HN 0.286 nan 8.190 nan 0.000 0.462 712 H N 3.253 122.257 119.070 -0.111 0.000 2.972 712 H HA -0.033 4.523 4.556 -0.000 0.000 0.343 712 H C 0.844 176.001 175.328 -0.284 0.000 1.054 712 H CA 0.024 55.940 56.048 -0.220 0.000 1.412 712 H CB 0.691 30.253 29.762 -0.333 0.000 1.385 712 H HN 0.613 nan 8.280 nan 0.000 0.600 713 F N 2.207 121.938 119.950 -0.365 0.000 2.225 713 F HA -0.317 4.210 4.527 -0.000 0.000 0.302 713 F C 2.572 178.115 175.800 -0.428 0.000 1.068 713 F CA 1.850 59.471 58.000 -0.630 0.000 1.327 713 F CB -0.181 38.620 39.000 -0.331 0.000 1.043 713 F HN 0.683 nan 8.300 nan 0.000 0.506 714 Q N 0.041 119.731 119.800 -0.184 0.000 2.217 714 Q HA -0.288 4.051 4.340 -0.000 0.000 0.209 714 Q C 1.991 177.785 176.000 -0.344 0.000 0.988 714 Q CA 1.942 57.585 55.803 -0.266 0.000 0.878 714 Q CB -0.312 28.219 28.738 -0.345 0.000 0.909 714 Q HN 0.571 nan 8.270 nan 0.000 0.424 715 Q N -0.094 119.529 119.800 -0.295 0.000 2.020 715 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 715 Q C 2.277 178.184 176.000 -0.155 0.000 0.982 715 Q CA 1.811 57.554 55.803 -0.100 0.000 0.838 715 Q CB -0.148 28.587 28.738 -0.005 0.000 0.899 715 Q HN 0.354 nan 8.270 nan 0.000 0.423 716 S N 0.756 116.250 115.700 -0.344 0.000 2.387 716 S HA -0.012 4.458 4.470 -0.000 0.000 0.226 716 S C 2.028 176.405 174.600 -0.373 0.000 1.026 716 S CA 0.726 58.728 58.200 -0.330 0.000 0.972 716 S CB -0.120 62.856 63.200 -0.374 0.000 0.814 716 S HN 0.469 nan 8.310 nan 0.000 0.477 717 A N 1.136 123.649 122.820 -0.512 0.000 2.024 717 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 717 A C 2.081 179.581 177.584 -0.140 0.000 1.164 717 A CA 1.153 53.021 52.037 -0.281 0.000 0.643 717 A CB -0.314 18.582 19.000 -0.174 0.000 0.806 717 A HN 0.365 nan 8.150 nan 0.000 0.451 718 Q N -0.768 118.956 119.800 -0.127 0.000 2.250 718 Q HA 0.131 4.471 4.340 -0.000 0.000 0.200 718 Q C 2.069 178.017 176.000 -0.085 0.000 0.941 718 Q CA 0.626 56.400 55.803 -0.048 0.000 0.872 718 Q CB -0.142 28.639 28.738 0.072 0.000 0.965 718 Q HN 0.766 nan 8.270 nan 0.000 0.480 719 I N 1.157 121.647 120.570 -0.133 0.000 2.202 719 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 719 I C 2.521 178.466 176.117 -0.287 0.000 1.091 719 I CA 1.453 62.627 61.300 -0.210 0.000 1.368 719 I CB -0.386 37.495 38.000 -0.197 0.000 1.058 719 I HN 0.173 nan 8.210 nan 0.000 0.410 720 S N 0.898 116.469 115.700 -0.215 0.000 2.368 720 S HA -0.257 4.213 4.470 -0.000 0.000 0.224 720 S C 2.063 176.642 174.600 -0.036 0.000 1.029 720 S CA 1.255 59.375 58.200 -0.132 0.000 0.988 720 S CB -0.431 62.868 63.200 0.164 0.000 0.838 720 S HN 0.329 nan 8.310 nan 0.000 0.462 721 K N 1.478 121.859 120.400 -0.032 0.000 2.152 721 K HA 0.013 4.332 4.320 -0.000 0.000 0.206 721 K C 2.250 178.830 176.600 -0.034 0.000 1.048 721 K CA 1.113 57.395 56.287 -0.009 0.000 0.933 721 K CB -0.603 31.890 32.500 -0.011 0.000 0.721 721 K HN 0.498 nan 8.250 nan 0.000 0.447 722 A N 0.921 123.689 122.820 -0.087 0.000 1.873 722 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 722 A C 2.046 179.563 177.584 -0.112 0.000 1.186 722 A CA 1.175 53.152 52.037 -0.099 0.000 0.616 722 A CB -0.560 18.357 19.000 -0.140 0.000 0.823 722 A HN 0.282 nan 8.150 nan 0.000 0.442 723 L N -0.390 120.716 121.223 -0.194 0.000 2.083 723 L HA -0.153 4.186 4.340 -0.000 0.000 0.209 723 L C 2.503 179.388 176.870 0.025 0.000 1.083 723 L CA 1.008 55.744 54.840 -0.173 0.000 0.752 723 L CB -0.629 41.160 42.059 -0.450 0.000 0.899 723 L HN 0.244 nan 8.230 nan 0.000 0.433 724 V N -0.312 119.649 119.914 0.079 0.000 2.307 724 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 724 V C 2.027 178.157 176.094 0.059 0.000 1.045 724 V CA 1.840 64.208 62.300 0.114 0.000 1.024 724 V CB -0.543 31.347 31.823 0.111 0.000 0.651 724 V HN 0.426 nan 8.190 nan 0.000 0.449 725 D N -0.078 120.339 120.400 0.029 0.000 2.263 725 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 725 D C 1.778 178.090 176.300 0.021 0.000 0.971 725 D CA 1.052 55.064 54.000 0.020 0.000 0.867 725 D CB 0.082 40.885 40.800 0.006 0.000 0.929 725 D HN 0.383 nan 8.370 nan 0.000 0.492 726 V N -0.627 119.300 119.914 0.021 0.000 3.621 726 V HA 0.234 4.354 4.120 -0.000 0.000 0.285 726 V C 1.217 177.339 176.094 0.046 0.000 1.346 726 V CA 0.564 62.880 62.300 0.027 0.000 1.104 726 V CB 0.369 32.203 31.823 0.017 0.000 0.913 726 V HN 0.302 nan 8.190 nan 0.000 0.432 727 G N 1.148 109.984 108.800 0.060 0.000 2.291 727 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.271 727 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.271 727 G C -0.160 174.803 174.900 0.106 0.000 1.099 727 G CA 0.205 45.352 45.100 0.077 0.000 0.919 727 G HN 0.381 nan 8.290 nan 0.000 0.496 728 V N 0.293 120.292 119.914 0.142 0.000 2.398 728 V HA 0.508 4.628 4.120 -0.000 0.000 0.286 728 V C 0.253 176.537 176.094 0.316 0.000 1.026 728 V CA -0.558 61.860 62.300 0.197 0.000 0.868 728 V CB 1.865 33.793 31.823 0.175 0.000 0.982 728 V HN 0.464 nan 8.190 nan 0.000 0.443 729 D N 4.033 124.591 120.400 0.263 0.000 2.256 729 D HA 0.602 5.242 4.640 -0.000 0.000 0.250 729 D C -0.647 175.869 176.300 0.360 0.000 1.093 729 D CA 0.027 54.163 54.000 0.228 0.000 0.882 729 D CB 0.749 41.618 40.800 0.116 0.000 1.185 729 D HN 0.343 nan 8.370 nan 0.000 0.437 730 F N 0.268 120.286 119.950 0.113 0.000 2.715 730 F HA 0.519 5.046 4.527 -0.000 0.000 0.318 730 F C -1.218 174.616 175.800 0.057 0.000 1.141 730 F CA -1.161 56.922 58.000 0.139 0.000 0.950 730 F CB 0.737 39.859 39.000 0.203 0.000 1.374 730 F HN 0.068 nan 8.300 nan 0.000 0.477 731 Q N 1.298 121.115 119.800 0.028 0.000 2.222 731 Q HA 0.793 5.133 4.340 -0.000 0.000 0.252 731 Q C -0.668 175.261 176.000 -0.119 0.000 0.926 731 Q CA -0.663 55.073 55.803 -0.111 0.000 0.899 731 Q CB 2.017 30.707 28.738 -0.081 0.000 1.250 731 Q HN 1.033 nan 8.270 nan 0.000 0.441 732 A N 1.748 124.483 122.820 -0.141 0.000 2.532 732 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 732 A C -1.260 176.257 177.584 -0.112 0.000 1.143 732 A CA -0.580 51.416 52.037 -0.068 0.000 0.728 732 A CB 1.982 20.976 19.000 -0.010 0.000 1.317 732 A HN 0.598 nan 8.150 nan 0.000 0.414 733 M N 0.782 120.309 119.600 -0.120 0.000 2.396 733 M HA 0.432 4.912 4.480 -0.000 0.000 0.222 733 M C -2.109 174.036 176.300 -0.258 0.000 0.972 733 M CA -0.777 54.309 55.300 -0.357 0.000 0.887 733 M CB 0.548 32.910 32.600 -0.397 0.000 2.378 733 M HN 1.026 nan 8.290 nan 0.000 0.446 734 W N 4.560 125.705 121.300 -0.260 0.000 2.436 734 W HA 0.803 5.463 4.660 -0.000 0.000 0.347 734 W C -1.843 174.430 176.519 -0.411 0.000 1.136 734 W CA -0.731 56.557 57.345 -0.095 0.000 1.286 734 W CB 0.426 29.889 29.460 0.006 0.000 1.253 734 W HN 0.627 nan 8.180 nan 0.000 0.617 735 Y N 2.378 122.839 120.300 0.267 0.000 2.646 735 Y HA 0.238 4.788 4.550 -0.000 0.000 0.334 735 Y C 0.721 176.743 175.900 0.203 0.000 1.004 735 Y CA -1.243 56.917 58.100 0.100 0.000 1.301 735 Y CB 1.071 39.554 38.460 0.039 0.000 1.093 735 Y HN 0.646 nan 8.280 nan 0.000 0.530 736 T N 2.646 117.404 114.554 0.339 0.000 2.822 736 T HA 0.002 4.352 4.350 -0.000 0.000 0.288 736 T C 0.501 175.281 174.700 0.134 0.000 0.991 736 T CA 0.875 63.089 62.100 0.189 0.000 1.176 736 T CB -0.078 68.831 68.868 0.069 0.000 0.951 736 T HN 0.790 nan 8.240 nan 0.000 0.526 737 D N 1.614 122.085 120.400 0.119 0.000 3.077 737 D HA -0.109 4.531 4.640 -0.000 0.000 0.212 737 D C -0.098 176.355 176.300 0.255 0.000 1.125 737 D CA 1.038 55.077 54.000 0.065 0.000 0.970 737 D CB -0.655 39.986 40.800 -0.265 0.000 1.110 737 D HN 0.705 nan 8.370 nan 0.000 0.419 738 E N 0.818 121.178 120.200 0.267 0.000 2.204 738 E HA 0.346 4.696 4.350 -0.000 0.000 0.276 738 E C 0.659 177.446 176.600 0.311 0.000 0.974 738 E CA -0.421 56.145 56.400 0.277 0.000 0.815 738 E CB 1.532 31.373 29.700 0.236 0.000 1.119 738 E HN 0.270 nan 8.360 nan 0.000 0.393 739 D N -0.102 120.490 120.400 0.321 0.000 2.446 739 D HA -0.027 4.612 4.640 -0.000 0.000 0.288 739 D C 1.090 177.627 176.300 0.396 0.000 1.195 739 D CA -0.089 54.117 54.000 0.343 0.000 1.095 739 D CB -0.162 40.854 40.800 0.360 0.000 1.153 739 D HN 0.395 nan 8.370 nan 0.000 0.568 740 H N -1.617 117.628 119.070 0.292 0.000 2.518 740 H HA 0.123 4.679 4.556 -0.000 0.000 0.289 740 H C 1.849 177.442 175.328 0.442 0.000 1.051 740 H CA 1.724 57.973 56.048 0.336 0.000 1.280 740 H CB -0.379 29.562 29.762 0.298 0.000 1.380 740 H HN 0.478 nan 8.280 nan 0.000 0.566 741 G N -0.293 108.722 108.800 0.358 0.000 2.539 741 G HA2 0.012 3.972 3.960 -0.000 0.000 0.215 741 G HA3 0.012 3.972 3.960 -0.000 0.000 0.215 741 G C 0.639 175.745 174.900 0.344 0.000 1.141 741 G CA 0.278 45.519 45.100 0.235 0.000 0.806 741 G HN 0.492 nan 8.290 nan 0.000 0.533 742 I N 0.240 121.016 120.570 0.343 0.000 6.313 742 I HA -0.312 3.858 4.170 -0.000 0.000 0.126 742 I C 1.367 177.626 176.117 0.236 0.000 1.598 742 I CA 0.155 61.606 61.300 0.251 0.000 2.457 742 I CB -1.242 36.901 38.000 0.239 0.000 3.027 742 I HN 0.258 nan 8.210 nan 0.000 0.280 743 A N 1.453 124.373 122.820 0.168 0.000 2.431 743 A HA 0.310 4.630 4.320 -0.000 0.000 0.239 743 A C 1.100 178.731 177.584 0.079 0.000 1.230 743 A CA 0.539 52.635 52.037 0.097 0.000 0.928 743 A CB 0.217 19.238 19.000 0.035 0.000 1.006 743 A HN 0.646 nan 8.150 nan 0.000 0.520 744 S N -0.182 115.582 115.700 0.107 0.000 2.562 744 S HA 0.184 4.653 4.470 -0.000 0.000 0.281 744 S C 1.217 175.876 174.600 0.098 0.000 1.333 744 S CA 0.387 58.644 58.200 0.095 0.000 1.052 744 S CB 1.137 64.400 63.200 0.106 0.000 0.884 744 S HN 0.526 nan 8.310 nan 0.000 0.506 745 S N 2.894 118.639 115.700 0.075 0.000 2.380 745 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 745 S C 2.124 176.787 174.600 0.104 0.000 1.050 745 S CA 2.673 60.920 58.200 0.080 0.000 1.100 745 S CB -1.690 61.539 63.200 0.049 0.000 0.984 745 S HN 1.091 nan 8.310 nan 0.000 0.434 746 T N 0.057 114.662 114.554 0.085 0.000 2.708 746 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 746 T C 1.998 176.760 174.700 0.104 0.000 1.037 746 T CA 1.584 63.736 62.100 0.088 0.000 1.146 746 T CB -1.091 67.822 68.868 0.075 0.000 0.865 746 T HN 0.531 nan 8.240 nan 0.000 0.435 747 A N 1.572 124.435 122.820 0.072 0.000 1.902 747 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 747 A C 2.210 179.772 177.584 -0.038 0.000 1.181 747 A CA 2.101 54.118 52.037 -0.034 0.000 0.623 747 A CB -1.298 17.641 19.000 -0.102 0.000 0.818 747 A HN 0.755 nan 8.150 nan 0.000 0.443 748 H N 0.175 119.239 119.070 -0.010 0.000 2.289 748 H HA -0.182 4.374 4.556 -0.000 0.000 0.296 748 H C 2.072 177.464 175.328 0.107 0.000 1.091 748 H CA 2.471 58.562 56.048 0.072 0.000 1.274 748 H CB -0.304 29.490 29.762 0.054 0.000 1.364 748 H HN 0.591 nan 8.280 nan 0.000 0.490 749 Q N -1.249 118.510 119.800 -0.068 0.000 2.224 749 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 749 Q C 2.082 178.041 176.000 -0.067 0.000 0.970 749 Q CA 1.123 56.842 55.803 -0.139 0.000 0.865 749 Q CB -0.083 28.623 28.738 -0.053 0.000 0.922 749 Q HN 0.633 nan 8.270 nan 0.000 0.445 750 H N 0.862 119.892 119.070 -0.067 0.000 2.372 750 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 750 H C 1.923 177.248 175.328 -0.005 0.000 1.065 750 H CA 1.016 57.059 56.048 -0.007 0.000 1.364 750 H CB 0.098 29.901 29.762 0.067 0.000 1.406 750 H HN 0.278 nan 8.280 nan 0.000 0.521 751 I N -0.025 120.557 120.570 0.020 0.000 2.353 751 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 751 I C 1.652 177.565 176.117 -0.339 0.000 1.119 751 I CA 1.042 62.278 61.300 -0.106 0.000 1.417 751 I CB -0.235 37.518 38.000 -0.411 0.000 1.078 751 I HN 0.091 nan 8.210 nan 0.000 0.421 752 Y N 0.903 121.003 120.300 -0.333 0.000 2.314 752 Y HA -0.165 4.385 4.550 -0.000 0.000 0.293 752 Y C 2.685 178.349 175.900 -0.393 0.000 1.129 752 Y CA 1.752 59.510 58.100 -0.571 0.000 1.201 752 Y CB -0.647 37.462 38.460 -0.585 0.000 0.999 752 Y HN 0.129 nan 8.280 nan 0.000 0.541 753 T N -1.759 112.713 114.554 -0.138 0.000 2.812 753 T HA -0.197 4.153 4.350 -0.000 0.000 0.264 753 T C 1.539 176.155 174.700 -0.139 0.000 1.042 753 T CA 1.710 63.710 62.100 -0.167 0.000 1.140 753 T CB -0.367 68.398 68.868 -0.172 0.000 0.870 753 T HN 0.377 nan 8.240 nan 0.000 0.445 754 H N 0.944 119.931 119.070 -0.138 0.000 2.353 754 H HA 0.117 4.673 4.556 -0.000 0.000 0.300 754 H C 2.129 177.461 175.328 0.006 0.000 1.090 754 H CA 1.540 57.584 56.048 -0.005 0.000 1.327 754 H CB -0.242 29.526 29.762 0.010 0.000 1.383 754 H HN 0.271 nan 8.280 nan 0.000 0.508 755 M N -0.960 118.579 119.600 -0.102 0.000 2.175 755 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 755 M C 2.443 178.853 176.300 0.183 0.000 1.063 755 M CA 1.425 56.666 55.300 -0.099 0.000 1.119 755 M CB 0.012 32.312 32.600 -0.500 0.000 1.377 755 M HN 0.163 nan 8.290 nan 0.000 0.415 756 S N -0.473 115.361 115.700 0.224 0.000 2.353 756 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 756 S C 1.737 176.407 174.600 0.118 0.000 1.035 756 S CA 1.170 59.578 58.200 0.348 0.000 1.025 756 S CB -0.653 62.722 63.200 0.291 0.000 0.902 756 S HN 0.461 nan 8.310 nan 0.000 0.440 757 H N -0.117 119.013 119.070 0.100 0.000 2.319 757 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 757 H C 2.008 177.340 175.328 0.006 0.000 1.092 757 H CA 1.516 57.580 56.048 0.026 0.000 1.302 757 H CB -0.815 28.922 29.762 -0.041 0.000 1.373 757 H HN 0.442 nan 8.280 nan 0.000 0.497 758 F N 1.225 121.155 119.950 -0.032 0.000 2.095 758 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 758 F C 2.349 178.093 175.800 -0.092 0.000 1.104 758 F CA 0.992 58.941 58.000 -0.086 0.000 1.232 758 F CB -0.363 38.556 39.000 -0.136 0.000 0.987 758 F HN -0.035 nan 8.300 nan 0.000 0.475 759 I N 1.166 121.681 120.570 -0.092 0.000 2.163 759 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 759 I C 2.220 178.096 176.117 -0.402 0.000 1.081 759 I CA 1.546 62.620 61.300 -0.378 0.000 1.353 759 I CB -1.340 36.516 38.000 -0.239 0.000 1.054 759 I HN 0.246 nan 8.210 nan 0.000 0.407 760 K N 0.537 120.861 120.400 -0.126 0.000 2.209 760 K HA -0.205 4.115 4.320 -0.000 0.000 0.204 760 K C 1.902 178.488 176.600 -0.024 0.000 1.048 760 K CA 0.851 57.129 56.287 -0.015 0.000 0.940 760 K CB -0.348 32.193 32.500 0.068 0.000 0.729 760 K HN 0.398 nan 8.250 nan 0.000 0.451 761 Q N 1.689 121.438 119.800 -0.085 0.000 2.172 761 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 761 Q C 1.983 177.899 176.000 -0.141 0.000 0.964 761 Q CA 1.415 57.167 55.803 -0.085 0.000 0.855 761 Q CB -0.257 28.429 28.738 -0.087 0.000 0.918 761 Q HN 0.402 nan 8.270 nan 0.000 0.444 762 c N -0.009 118.411 118.600 -0.301 0.000 2.514 762 c HA 0.108 4.678 4.570 -0.000 0.000 0.271 762 c C 1.941 176.062 174.090 0.051 0.000 1.399 762 c CA -0.136 56.031 56.329 -0.269 0.000 1.765 762 c CB -1.006 41.157 42.510 -0.578 0.000 1.893 762 c HN 0.489 nan 8.230 nan 0.000 0.531 763 F N 1.013 120.911 119.950 -0.085 0.000 2.390 763 F HA 0.307 4.834 4.527 -0.000 0.000 0.281 763 F C 1.994 177.773 175.800 -0.036 0.000 1.016 763 F CA 0.218 58.190 58.000 -0.047 0.000 1.286 763 F CB -1.392 37.586 39.000 -0.037 0.000 1.134 763 F HN -0.013 nan 8.300 nan 0.000 0.597 764 S N 0.000 115.806 115.700 0.177 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.252 58.200 0.086 0.000 1.107 764 S CB 0.000 63.241 63.200 0.068 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517