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 3f8s_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.680 174.600 0.133 0.000 1.055 39 S CA 0.000 58.305 58.200 0.175 0.000 1.107 39 S CB 0.000 63.260 63.200 0.100 0.000 0.593 40 R N -0.075 120.484 120.500 0.099 0.000 4.168 40 R HA 0.007 4.315 4.340 -0.053 0.000 0.349 40 R C -0.805 175.552 176.300 0.095 0.000 0.241 40 R CA 0.592 56.745 56.100 0.087 0.000 1.139 40 R CB -1.078 29.271 30.300 0.080 0.000 1.201 40 R HN 1.077 nan 8.270 nan 0.000 0.453 41 K N -0.197 120.260 120.400 0.095 0.000 2.234 41 K HA 0.408 4.696 4.320 -0.053 0.000 0.251 41 K C 0.049 176.720 176.600 0.118 0.000 1.011 41 K CA 0.005 56.355 56.287 0.105 0.000 0.889 41 K CB 0.797 33.363 32.500 0.110 0.000 1.011 41 K HN 0.568 nan 8.250 nan 0.000 0.505 42 T N -0.533 114.100 114.554 0.131 0.000 2.950 42 T HA 0.172 4.490 4.350 -0.053 0.000 0.288 42 T C -1.378 173.449 174.700 0.211 0.000 1.035 42 T CA -0.799 61.393 62.100 0.154 0.000 1.028 42 T CB 0.468 69.420 68.868 0.140 0.000 1.109 42 T HN 0.475 nan 8.240 nan 0.000 0.514 43 Y N 3.556 123.928 120.300 0.119 0.000 2.637 43 Y HA 0.335 4.852 4.550 -0.054 0.000 0.350 43 Y C 1.023 177.073 175.900 0.250 0.000 1.069 43 Y CA -0.028 58.174 58.100 0.171 0.000 1.397 43 Y CB -0.178 38.349 38.460 0.111 0.000 1.163 43 Y HN 0.766 nan 8.280 nan 0.000 0.527 44 T N 2.553 117.042 114.554 -0.108 0.000 2.881 44 T HA 0.150 4.468 4.350 -0.053 0.000 0.278 44 T C 0.963 175.493 174.700 -0.283 0.000 0.982 44 T CA -0.762 61.313 62.100 -0.042 0.000 0.989 44 T CB 1.258 70.102 68.868 -0.040 0.000 1.058 44 T HN 0.658 nan 8.240 nan 0.000 0.529 45 L N 1.388 122.311 121.223 -0.499 0.000 2.012 45 L HA 0.006 4.314 4.340 -0.053 0.000 0.210 45 L C 2.622 179.354 176.870 -0.229 0.000 1.073 45 L CA 2.311 56.810 54.840 -0.567 0.000 0.748 45 L CB -1.617 39.983 42.059 -0.764 0.000 0.891 45 L HN 0.976 nan 8.230 nan 0.000 0.431 46 T N -0.449 113.987 114.554 -0.197 0.000 2.759 46 T HA -0.179 4.139 4.350 -0.053 0.000 0.269 46 T C 1.470 176.083 174.700 -0.144 0.000 1.042 46 T CA 1.532 63.551 62.100 -0.136 0.000 1.140 46 T CB -0.460 68.346 68.868 -0.104 0.000 0.864 46 T HN 0.420 nan 8.240 nan 0.000 0.455 47 D N -0.033 120.244 120.400 -0.204 0.000 2.144 47 D HA -0.068 4.540 4.640 -0.053 0.000 0.199 47 D C 1.711 177.946 176.300 -0.107 0.000 0.984 47 D CA 0.886 54.750 54.000 -0.228 0.000 0.834 47 D CB -0.319 40.264 40.800 -0.363 0.000 0.955 47 D HN 0.432 nan 8.370 nan 0.000 0.465 48 Y N 1.346 121.506 120.300 -0.234 0.000 2.130 48 Y HA -0.127 4.391 4.550 -0.053 0.000 0.287 48 Y C 2.030 177.932 175.900 0.004 0.000 1.124 48 Y CA 0.878 58.974 58.100 -0.006 0.000 1.118 48 Y CB -0.606 37.881 38.460 0.045 0.000 0.994 48 Y HN -0.188 nan 8.280 nan 0.000 0.497 49 L N 0.730 121.808 121.223 -0.242 0.000 2.079 49 L HA -0.201 4.107 4.340 -0.053 0.000 0.210 49 L C 1.842 178.622 176.870 -0.151 0.000 1.081 49 L CA 1.801 56.482 54.840 -0.264 0.000 0.752 49 L CB -0.805 41.165 42.059 -0.147 0.000 0.896 49 L HN 0.185 nan 8.230 nan 0.000 0.433 50 K N -0.968 119.361 120.400 -0.119 0.000 2.373 50 K HA 0.174 4.462 4.320 -0.053 0.000 0.202 50 K C 0.159 176.710 176.600 -0.082 0.000 1.025 50 K CA -0.233 56.000 56.287 -0.089 0.000 1.115 50 K CB -0.044 32.404 32.500 -0.086 0.000 0.858 50 K HN 0.270 nan 8.250 nan 0.000 0.525 51 N N 1.795 120.454 118.700 -0.069 0.000 2.714 51 N HA -0.166 4.542 4.740 -0.053 0.000 0.252 51 N C 0.154 175.636 175.510 -0.047 0.000 1.014 51 N CA 0.771 53.813 53.050 -0.014 0.000 0.735 51 N CB -0.636 37.842 38.487 -0.015 0.000 0.924 51 N HN 0.169 nan 8.380 nan 0.000 0.540 52 T N -0.899 113.573 114.554 -0.136 0.000 2.849 52 T HA -0.155 4.163 4.350 -0.053 0.000 0.270 52 T C 0.243 174.665 174.700 -0.464 0.000 1.066 52 T CA 1.375 63.263 62.100 -0.353 0.000 1.130 52 T CB -0.066 68.475 68.868 -0.545 0.000 0.864 52 T HN 0.332 nan 8.240 nan 0.000 0.481 53 Y N 0.667 121.040 120.300 0.122 0.000 2.326 53 Y HA 0.585 5.103 4.550 -0.054 0.000 0.331 53 Y C 0.068 176.059 175.900 0.152 0.000 0.962 53 Y CA -1.308 56.883 58.100 0.152 0.000 1.167 53 Y CB 1.060 39.652 38.460 0.221 0.000 1.148 53 Y HN -0.218 nan 8.280 nan 0.000 0.463 54 R N 2.980 123.626 120.500 0.243 0.000 2.387 54 R HA 0.519 4.827 4.340 -0.053 0.000 0.314 54 R C -1.068 175.336 176.300 0.174 0.000 0.958 54 R CA -0.660 55.543 56.100 0.172 0.000 0.846 54 R CB 1.301 31.662 30.300 0.101 0.000 1.147 54 R HN 0.658 nan 8.270 nan 0.000 0.447 55 L N 4.090 125.420 121.223 0.179 0.000 2.433 55 L HA 0.140 4.449 4.340 -0.053 0.000 0.275 55 L C 0.415 177.359 176.870 0.123 0.000 1.128 55 L CA 0.244 55.187 54.840 0.172 0.000 0.875 55 L CB 0.254 42.433 42.059 0.200 0.000 1.171 55 L HN 0.384 nan 8.230 nan 0.000 0.463 56 K N 4.282 124.744 120.400 0.103 0.000 2.185 56 K HA 0.516 4.804 4.320 -0.053 0.000 0.271 56 K C -0.590 176.024 176.600 0.023 0.000 1.013 56 K CA -0.571 55.749 56.287 0.054 0.000 0.943 56 K CB 1.325 33.850 32.500 0.042 0.000 0.998 56 K HN 0.262 nan 8.250 nan 0.000 0.468 57 L N 0.578 121.744 121.223 -0.094 0.000 2.211 57 L HA 0.501 4.810 4.340 -0.053 0.000 0.259 57 L C -0.812 175.721 176.870 -0.562 0.000 1.031 57 L CA -1.006 53.609 54.840 -0.375 0.000 0.877 57 L CB 0.167 42.177 42.059 -0.081 0.000 1.457 57 L HN 0.425 nan 8.230 nan 0.000 0.466 58 Y N -0.235 119.408 120.300 -1.095 0.000 2.488 58 Y HA 0.512 5.027 4.550 -0.057 0.000 0.330 58 Y C -0.382 175.394 175.900 -0.206 0.000 1.013 58 Y CA -0.291 57.496 58.100 -0.521 0.000 1.304 58 Y CB 1.650 39.695 38.460 -0.692 0.000 1.098 58 Y HN 0.561 nan 8.280 nan 0.000 0.498 59 S N 7.336 122.999 115.700 -0.062 0.000 2.415 59 S HA 0.470 4.908 4.470 -0.053 0.000 0.313 59 S C -0.497 174.060 174.600 -0.072 0.000 1.067 59 S CA -0.727 57.444 58.200 -0.050 0.000 1.099 59 S CB -0.555 62.605 63.200 -0.067 0.000 0.991 59 S HN 0.647 nan 8.310 nan 0.000 0.491 60 L N 3.156 124.293 121.223 -0.144 0.000 2.335 60 L HA 0.808 5.116 4.340 -0.053 0.000 0.268 60 L C -0.851 175.914 176.870 -0.176 0.000 1.016 60 L CA -1.040 53.662 54.840 -0.230 0.000 0.805 60 L CB 1.132 42.702 42.059 -0.816 0.000 1.311 60 L HN 0.512 nan 8.230 nan 0.000 0.456 61 R N 0.555 120.985 120.500 -0.117 0.000 2.539 61 R HA 0.336 4.644 4.340 -0.053 0.000 0.295 61 R C -1.731 174.606 176.300 0.062 0.000 1.138 61 R CA -0.347 55.751 56.100 -0.004 0.000 0.936 61 R CB 1.068 31.409 30.300 0.068 0.000 1.182 61 R HN 0.617 nan 8.270 nan 0.000 0.459 62 W N 3.818 125.218 121.300 0.167 0.000 2.295 62 W HA 0.053 4.685 4.660 -0.046 0.000 0.335 62 W C 1.224 177.832 176.519 0.149 0.000 1.351 62 W CA 0.015 57.479 57.345 0.197 0.000 1.273 62 W CB 0.484 30.049 29.460 0.174 0.000 1.214 62 W HN 0.562 nan 8.180 nan 0.000 0.563 63 I N 2.563 123.358 120.570 0.374 0.000 4.154 63 I HA 0.026 4.164 4.170 -0.053 0.000 0.334 63 I C 0.598 176.811 176.117 0.160 0.000 1.371 63 I CA 0.455 61.877 61.300 0.203 0.000 1.110 63 I CB -0.025 38.034 38.000 0.098 0.000 1.085 63 I HN 0.503 nan 8.210 nan 0.000 0.398 64 S N -1.078 114.743 115.700 0.201 0.000 2.930 64 S HA 0.140 4.578 4.470 -0.053 0.000 0.306 64 S C -0.007 174.612 174.600 0.031 0.000 1.238 64 S CA -0.033 58.190 58.200 0.037 0.000 1.000 64 S CB 0.530 63.647 63.200 -0.138 0.000 1.342 64 S HN 0.109 nan 8.310 nan 0.000 0.575 65 D N 0.372 120.679 120.400 -0.155 0.000 2.333 65 D HA 0.055 4.664 4.640 -0.053 0.000 0.208 65 D C 1.058 177.454 176.300 0.161 0.000 0.984 65 D CA 1.566 55.540 54.000 -0.044 0.000 0.873 65 D CB -0.637 40.155 40.800 -0.013 0.000 0.935 65 D HN 0.853 nan 8.370 nan 0.000 0.521 66 H N -2.196 117.095 119.070 0.367 0.000 3.535 66 H HA 0.479 5.002 4.556 -0.056 0.000 0.260 66 H C -0.026 175.503 175.328 0.336 0.000 1.173 66 H CA -0.598 55.691 56.048 0.400 0.000 1.168 66 H CB 0.127 30.082 29.762 0.322 0.000 1.568 66 H HN -0.008 nan 8.280 nan 0.000 0.602 67 E N 0.687 121.152 120.200 0.441 0.000 2.339 67 E HA 0.461 4.780 4.350 -0.053 0.000 0.262 67 E C -1.518 175.315 176.600 0.388 0.000 0.934 67 E CA -1.538 55.060 56.400 0.330 0.000 0.802 67 E CB 2.673 32.520 29.700 0.245 0.000 1.275 67 E HN 0.277 nan 8.360 nan 0.000 0.427 68 Y N -1.445 118.928 120.300 0.120 0.000 2.465 68 Y HA 0.385 4.907 4.550 -0.046 0.000 0.323 68 Y C -2.031 173.896 175.900 0.046 0.000 1.191 68 Y CA -1.135 56.930 58.100 -0.058 0.000 1.082 68 Y CB 0.077 38.164 38.460 -0.621 0.000 1.334 68 Y HN 0.387 nan 8.280 nan 0.000 0.449 69 L N 4.433 125.818 121.223 0.270 0.000 2.417 69 L HA 0.451 4.759 4.340 -0.053 0.000 0.268 69 L C -0.979 176.138 176.870 0.412 0.000 1.158 69 L CA -0.602 54.378 54.840 0.233 0.000 0.819 69 L CB 0.923 43.024 42.059 0.070 0.000 1.112 69 L HN 0.820 nan 8.230 nan 0.000 0.458 70 Y N 1.891 122.343 120.300 0.253 0.000 2.442 70 Y HA 0.245 4.754 4.550 -0.067 0.000 0.330 70 Y C -0.662 175.308 175.900 0.116 0.000 1.100 70 Y CA -1.176 57.001 58.100 0.129 0.000 1.034 70 Y CB 1.445 39.957 38.460 0.087 0.000 1.285 70 Y HN 0.404 nan 8.280 nan 0.000 0.440 71 K N 4.832 124.847 120.400 -0.643 0.000 2.219 71 K HA 0.173 4.461 4.320 -0.053 0.000 0.280 71 K C -0.707 175.592 176.600 -0.502 0.000 1.104 71 K CA -0.328 55.712 56.287 -0.412 0.000 0.925 71 K CB 0.495 32.824 32.500 -0.284 0.000 1.261 71 K HN 0.732 nan 8.250 nan 0.000 0.445 72 Q N 4.433 124.186 119.800 -0.078 0.000 2.571 72 Q HA 0.033 4.341 4.340 -0.053 0.000 0.222 72 Q C -1.126 174.896 176.000 0.038 0.000 1.167 72 Q CA -0.031 55.834 55.803 0.103 0.000 0.966 72 Q CB 0.357 29.285 28.738 0.318 0.000 1.274 72 Q HN 0.460 nan 8.270 nan 0.000 0.552 73 E N 3.464 123.655 120.200 -0.016 0.000 2.379 73 E HA -0.238 4.080 4.350 -0.053 0.000 0.206 73 E C -0.394 176.190 176.600 -0.027 0.000 1.297 73 E CA 0.689 57.082 56.400 -0.011 0.000 0.676 73 E CB -1.284 28.425 29.700 0.016 0.000 1.164 73 E HN 1.040 nan 8.360 nan 0.000 0.402 74 N N -1.597 117.074 118.700 -0.047 0.000 3.540 74 N HA -0.265 4.443 4.740 -0.053 0.000 0.224 74 N C 0.342 175.817 175.510 -0.057 0.000 0.162 74 N CA 1.931 54.954 53.050 -0.044 0.000 3.550 74 N CB -1.448 37.021 38.487 -0.030 0.000 1.144 74 N HN 0.476 nan 8.380 nan 0.000 0.272 75 N N 1.941 120.614 118.700 -0.046 0.000 2.086 75 N HA -0.022 4.686 4.740 -0.053 0.000 0.262 75 N C -0.058 175.421 175.510 -0.051 0.000 1.220 75 N CA 0.886 53.910 53.050 -0.045 0.000 0.835 75 N CB 0.073 38.547 38.487 -0.022 0.000 1.070 75 N HN 0.413 nan 8.380 nan 0.000 0.467 76 I N 2.045 122.590 120.570 -0.041 0.000 2.389 76 I HA 0.308 4.447 4.170 -0.053 0.000 0.288 76 I C -0.271 175.874 176.117 0.047 0.000 0.999 76 I CA -0.482 60.803 61.300 -0.026 0.000 1.129 76 I CB 0.866 38.813 38.000 -0.088 0.000 1.288 76 I HN 0.138 nan 8.210 nan 0.000 0.444 77 L N 6.205 127.468 121.223 0.066 0.000 2.333 77 L HA 0.677 4.985 4.340 -0.053 0.000 0.269 77 L C -0.587 176.253 176.870 -0.049 0.000 1.010 77 L CA -1.204 53.618 54.840 -0.029 0.000 0.818 77 L CB 2.196 44.152 42.059 -0.171 0.000 1.306 77 L HN 0.206 nan 8.230 nan 0.000 0.430 78 V N 1.386 121.191 119.914 -0.181 0.000 2.435 78 V HA 0.429 4.517 4.120 -0.053 0.000 0.290 78 V C -0.674 175.153 176.094 -0.445 0.000 1.030 78 V CA -0.344 61.855 62.300 -0.169 0.000 0.881 78 V CB 1.493 33.291 31.823 -0.041 0.000 0.983 78 V HN 0.350 nan 8.190 nan 0.000 0.445 79 F N 2.912 122.618 119.950 -0.407 0.000 2.469 79 F HA 0.428 4.950 4.527 -0.009 0.000 0.332 79 F C 0.530 176.065 175.800 -0.443 0.000 1.103 79 F CA -0.620 57.052 58.000 -0.546 0.000 0.979 79 F CB 1.426 39.780 39.000 -1.076 0.000 1.137 79 F HN 0.414 nan 8.300 nan 0.000 0.463 80 N N 2.264 120.924 118.700 -0.067 0.000 2.420 80 N HA 0.249 4.957 4.740 -0.053 0.000 0.249 80 N C 0.524 176.007 175.510 -0.044 0.000 1.033 80 N CA 0.108 53.159 53.050 0.002 0.000 0.944 80 N CB 1.693 40.212 38.487 0.054 0.000 1.113 80 N HN 0.821 nan 8.380 nan 0.000 0.502 81 A N 3.810 126.567 122.820 -0.104 0.000 1.969 81 A HA -0.134 4.154 4.320 -0.053 0.000 0.218 81 A C 1.904 179.172 177.584 -0.526 0.000 1.169 81 A CA 1.183 53.045 52.037 -0.292 0.000 0.635 81 A CB -0.283 18.478 19.000 -0.399 0.000 0.810 81 A HN 0.853 nan 8.150 nan 0.000 0.445 82 E N -1.572 118.314 120.200 -0.524 0.000 2.028 82 E HA -0.171 4.147 4.350 -0.053 0.000 0.191 82 E C 1.475 177.776 176.600 -0.498 0.000 0.988 82 E CA 1.476 57.579 56.400 -0.494 0.000 0.799 82 E CB -0.112 29.280 29.700 -0.514 0.000 0.755 82 E HN 0.755 nan 8.360 nan 0.000 0.447 83 Y N -1.868 118.413 120.300 -0.032 0.000 2.524 83 Y HA 0.306 4.822 4.550 -0.056 0.000 0.270 83 Y C 1.599 177.492 175.900 -0.011 0.000 1.094 83 Y CA 0.479 58.572 58.100 -0.012 0.000 1.276 83 Y CB 1.189 39.643 38.460 -0.011 0.000 1.130 83 Y HN 0.265 nan 8.280 nan 0.000 0.536 84 G N 0.483 109.347 108.800 0.107 0.000 2.176 84 G HA2 -0.292 3.637 3.960 -0.053 0.000 0.232 84 G HA3 -0.292 3.637 3.960 -0.053 0.000 0.232 84 G C 0.108 175.073 174.900 0.109 0.000 0.986 84 G CA 0.026 45.181 45.100 0.092 0.000 0.643 84 G HN 0.426 nan 8.290 nan 0.000 0.522 85 N N 0.898 119.643 118.700 0.074 0.000 2.371 85 N HA 0.508 5.217 4.740 -0.053 0.000 0.243 85 N C 0.130 175.586 175.510 -0.090 0.000 1.287 85 N CA 1.002 54.055 53.050 0.006 0.000 0.911 85 N CB 1.268 39.750 38.487 -0.008 0.000 1.142 85 N HN 1.195 nan 8.380 nan 0.000 0.451 86 S N -1.513 114.074 115.700 -0.188 0.000 2.625 86 S HA 0.716 5.154 4.470 -0.053 0.000 0.271 86 S C -1.188 173.253 174.600 -0.265 0.000 1.161 86 S CA -0.875 57.090 58.200 -0.392 0.000 0.820 86 S CB 1.155 63.802 63.200 -0.921 0.000 1.137 86 S HN 0.751 nan 8.310 nan 0.000 0.470 87 S N -0.067 115.475 115.700 -0.263 0.000 2.661 87 S HA 0.722 5.160 4.470 -0.053 0.000 0.285 87 S C -0.895 173.626 174.600 -0.133 0.000 1.138 87 S CA -0.800 57.311 58.200 -0.149 0.000 0.855 87 S CB 1.428 64.576 63.200 -0.087 0.000 1.136 87 S HN 1.183 nan 8.310 nan 0.000 0.484 88 V N 1.873 121.738 119.914 -0.083 0.000 2.583 88 V HA 0.369 4.457 4.120 -0.053 0.000 0.287 88 V C 0.059 176.153 176.094 -0.001 0.000 1.051 88 V CA -0.106 62.167 62.300 -0.044 0.000 1.010 88 V CB 0.811 32.599 31.823 -0.058 0.000 0.988 88 V HN 0.891 nan 8.190 nan 0.000 0.478 89 F N 6.203 126.090 119.950 -0.105 0.000 2.437 89 F HA 0.478 4.963 4.527 -0.069 0.000 0.288 89 F C 0.312 176.058 175.800 -0.090 0.000 1.085 89 F CA 0.450 58.398 58.000 -0.087 0.000 1.430 89 F CB 0.529 39.486 39.000 -0.070 0.000 1.120 89 F HN 0.387 nan 8.300 nan 0.000 0.556 90 L N 0.801 122.043 121.223 0.031 0.000 2.641 90 L HA 0.280 4.589 4.340 -0.053 0.000 0.261 90 L C -1.455 175.360 176.870 -0.091 0.000 0.926 90 L CA -0.571 54.228 54.840 -0.069 0.000 0.917 90 L CB 1.766 43.852 42.059 0.044 0.000 1.361 90 L HN -0.152 nan 8.230 nan 0.000 0.417 91 E N 2.223 122.330 120.200 -0.155 0.000 2.249 91 E HA 0.216 4.534 4.350 -0.053 0.000 0.280 91 E C 0.033 176.516 176.600 -0.195 0.000 1.016 91 E CA -0.442 55.870 56.400 -0.147 0.000 0.830 91 E CB 1.272 30.887 29.700 -0.141 0.000 1.081 91 E HN 0.578 nan 8.360 nan 0.000 0.395 92 N N 0.769 119.398 118.700 -0.119 0.000 2.223 92 N HA -0.196 4.512 4.740 -0.053 0.000 0.185 92 N C 1.627 177.066 175.510 -0.117 0.000 1.016 92 N CA 1.190 54.199 53.050 -0.069 0.000 0.863 92 N CB -0.105 38.373 38.487 -0.015 0.000 0.983 92 N HN 0.433 nan 8.380 nan 0.000 0.429 93 S N -0.408 115.215 115.700 -0.128 0.000 2.441 93 S HA -0.202 4.236 4.470 -0.053 0.000 0.242 93 S C 1.739 176.211 174.600 -0.213 0.000 1.018 93 S CA 1.484 59.609 58.200 -0.125 0.000 0.988 93 S CB -1.098 62.039 63.200 -0.105 0.000 0.778 93 S HN 0.266 nan 8.310 nan 0.000 0.498 94 T N 1.222 115.535 114.554 -0.403 0.000 2.737 94 T HA -0.034 4.285 4.350 -0.053 0.000 0.269 94 T C 0.662 174.937 174.700 -0.708 0.000 1.040 94 T CA 1.546 63.228 62.100 -0.695 0.000 1.142 94 T CB -0.438 67.699 68.868 -1.218 0.000 0.861 94 T HN 0.611 nan 8.240 nan 0.000 0.456 95 F N 0.474 120.329 119.950 -0.158 0.000 2.661 95 F HA 0.330 4.828 4.527 -0.049 0.000 0.306 95 F C 1.369 177.162 175.800 -0.012 0.000 1.094 95 F CA -1.218 56.707 58.000 -0.124 0.000 1.254 95 F CB -0.189 38.655 39.000 -0.260 0.000 1.040 95 F HN -0.051 nan 8.300 nan 0.000 0.562 96 D N 1.050 121.499 120.400 0.082 0.000 2.191 96 D HA -0.222 4.386 4.640 -0.053 0.000 0.195 96 D C 0.833 177.183 176.300 0.082 0.000 1.003 96 D CA 1.616 55.654 54.000 0.063 0.000 0.867 96 D CB -0.080 40.726 40.800 0.009 0.000 0.926 96 D HN 0.338 nan 8.370 nan 0.000 0.450 97 E N -1.167 119.090 120.200 0.095 0.000 2.663 97 E HA 0.122 4.440 4.350 -0.053 0.000 0.240 97 E C 0.186 176.865 176.600 0.132 0.000 1.227 97 E CA -0.344 56.101 56.400 0.074 0.000 1.528 97 E CB 0.043 29.765 29.700 0.038 0.000 1.472 97 E HN 0.129 nan 8.360 nan 0.000 0.433 98 F N -0.053 119.896 119.950 -0.001 0.000 2.530 98 F HA 0.266 4.763 4.527 -0.049 0.000 0.292 98 F C 1.670 177.389 175.800 -0.135 0.000 1.109 98 F CA 1.340 59.328 58.000 -0.019 0.000 1.450 98 F CB 0.567 39.558 39.000 -0.015 0.000 1.114 98 F HN 0.274 nan 8.300 nan 0.000 0.560 99 G N -0.486 108.127 108.800 -0.312 0.000 2.284 99 G HA2 -0.232 3.696 3.960 -0.053 0.000 0.216 99 G HA3 -0.232 3.696 3.960 -0.053 0.000 0.216 99 G C -0.178 174.284 174.900 -0.730 0.000 1.009 99 G CA 0.136 44.876 45.100 -0.601 0.000 0.625 99 G HN 0.580 nan 8.290 nan 0.000 0.501 100 H N 0.399 119.297 119.070 -0.287 0.000 2.690 100 H HA 0.703 5.227 4.556 -0.054 0.000 0.368 100 H C 0.278 175.665 175.328 0.100 0.000 1.150 100 H CA -0.096 55.892 56.048 -0.100 0.000 1.174 100 H CB 1.731 31.363 29.762 -0.217 0.000 1.684 100 H HN 0.449 nan 8.280 nan 0.000 0.538 101 S N 2.206 118.034 115.700 0.214 0.000 2.548 101 S HA 0.328 4.766 4.470 -0.053 0.000 0.277 101 S C -0.010 174.692 174.600 0.170 0.000 1.315 101 S CA -0.770 57.525 58.200 0.158 0.000 1.050 101 S CB 0.063 63.322 63.200 0.098 0.000 0.918 101 S HN 0.523 nan 8.310 nan 0.000 0.497 102 I N 4.236 124.861 120.570 0.092 0.000 2.304 102 I HA 0.185 4.323 4.170 -0.053 0.000 0.291 102 I C 1.731 177.863 176.117 0.026 0.000 1.018 102 I CA -0.445 60.883 61.300 0.047 0.000 1.260 102 I CB 0.743 38.682 38.000 -0.103 0.000 1.390 102 I HN 0.910 nan 8.210 nan 0.000 0.475 103 N N 4.128 122.843 118.700 0.024 0.000 2.142 103 N HA -0.115 4.593 4.740 -0.053 0.000 0.186 103 N C 0.218 175.670 175.510 -0.098 0.000 1.023 103 N CA 1.226 54.233 53.050 -0.072 0.000 0.852 103 N CB 0.468 38.895 38.487 -0.101 0.000 0.998 103 N HN 0.673 nan 8.380 nan 0.000 0.424 104 D N -2.242 118.130 120.400 -0.046 0.000 2.692 104 D HA 0.209 4.817 4.640 -0.053 0.000 0.290 104 D C -1.740 174.585 176.300 0.041 0.000 1.281 104 D CA -0.460 53.506 54.000 -0.056 0.000 0.804 104 D CB 1.067 41.787 40.800 -0.133 0.000 1.331 104 D HN 0.158 nan 8.370 nan 0.000 0.432 105 Y N -1.284 119.020 120.300 0.008 0.000 2.553 105 Y HA 0.751 5.274 4.550 -0.044 0.000 0.347 105 Y C -1.169 174.798 175.900 0.111 0.000 1.019 105 Y CA -0.964 57.162 58.100 0.043 0.000 1.032 105 Y CB 1.794 40.264 38.460 0.017 0.000 1.284 105 Y HN 0.125 nan 8.280 nan 0.000 0.466 106 S N 3.277 119.176 115.700 0.332 0.000 2.672 106 S HA 0.645 5.083 4.470 -0.053 0.000 0.291 106 S C -1.337 173.619 174.600 0.593 0.000 1.145 106 S CA -0.559 57.865 58.200 0.373 0.000 1.013 106 S CB 0.309 63.696 63.200 0.311 0.000 1.017 106 S HN 0.688 nan 8.310 nan 0.000 0.487 107 I N 4.271 125.103 120.570 0.437 0.000 2.396 107 I HA 0.298 4.436 4.170 -0.053 0.000 0.292 107 I C 0.840 176.896 176.117 -0.102 0.000 0.999 107 I CA -0.495 60.955 61.300 0.249 0.000 1.310 107 I CB 1.891 39.981 38.000 0.150 0.000 1.404 107 I HN 0.729 nan 8.210 nan 0.000 0.496 108 S N 5.780 121.155 115.700 -0.541 0.000 2.579 108 S HA 0.159 4.598 4.470 -0.053 0.000 0.275 108 S C -1.839 172.486 174.600 -0.460 0.000 1.345 108 S CA -1.017 56.469 58.200 -1.190 0.000 1.031 108 S CB 0.415 62.770 63.200 -1.410 0.000 0.892 108 S HN 0.431 nan 8.310 nan 0.000 0.529 109 P HA -0.076 nan 4.420 nan 0.000 0.218 109 P C 0.185 177.431 177.300 -0.090 0.000 1.146 109 P CA 1.279 64.296 63.100 -0.138 0.000 0.813 109 P CB -0.054 31.586 31.700 -0.101 0.000 0.778 110 D N -2.962 117.377 120.400 -0.102 0.000 2.349 110 D HA 0.235 4.843 4.640 -0.053 0.000 0.214 110 D C 1.521 177.811 176.300 -0.016 0.000 1.063 110 D CA 0.752 54.738 54.000 -0.023 0.000 0.847 110 D CB -0.210 40.614 40.800 0.040 0.000 0.933 110 D HN 0.062 nan 8.370 nan 0.000 0.513 111 G N 0.703 109.480 108.800 -0.038 0.000 2.253 111 G HA2 -0.418 3.511 3.960 -0.053 0.000 0.251 111 G HA3 -0.418 3.511 3.960 -0.053 0.000 0.251 111 G C 1.214 176.093 174.900 -0.034 0.000 0.998 111 G CA 0.438 45.565 45.100 0.044 0.000 0.621 111 G HN 0.388 nan 8.290 nan 0.000 0.524 112 Q N -1.065 118.622 119.800 -0.188 0.000 2.224 112 Q HA 0.236 4.545 4.340 -0.053 0.000 0.203 112 Q C 0.262 175.752 176.000 -0.850 0.000 0.970 112 Q CA 0.938 56.404 55.803 -0.561 0.000 0.865 112 Q CB 0.085 28.361 28.738 -0.769 0.000 0.922 112 Q HN 0.597 nan 8.270 nan 0.000 0.445 113 F N -1.105 118.814 119.950 -0.052 0.000 2.613 113 F HA 0.501 4.997 4.527 -0.050 0.000 0.314 113 F C -0.559 175.350 175.800 0.182 0.000 1.075 113 F CA -1.175 56.870 58.000 0.075 0.000 0.945 113 F CB 1.570 40.643 39.000 0.122 0.000 1.310 113 F HN -0.213 nan 8.300 nan 0.000 0.467 114 I N 2.718 123.616 120.570 0.548 0.000 2.509 114 I HA 0.466 4.604 4.170 -0.053 0.000 0.293 114 I C -1.681 174.758 176.117 0.537 0.000 1.020 114 I CA -0.860 60.752 61.300 0.522 0.000 1.088 114 I CB 1.753 40.001 38.000 0.413 0.000 1.267 114 I HN 0.531 nan 8.210 nan 0.000 0.430 115 L N 8.254 129.809 121.223 0.554 0.000 2.257 115 L HA 0.476 4.784 4.340 -0.053 0.000 0.290 115 L C -1.152 175.870 176.870 0.253 0.000 1.044 115 L CA -0.690 54.363 54.840 0.355 0.000 0.810 115 L CB 1.006 43.200 42.059 0.225 0.000 1.193 115 L HN 0.599 nan 8.230 nan 0.000 0.425 116 L N 4.964 126.278 121.223 0.151 0.000 2.289 116 L HA 0.449 4.757 4.340 -0.053 0.000 0.285 116 L C -0.031 176.922 176.870 0.137 0.000 1.049 116 L CA -0.273 54.581 54.840 0.023 0.000 0.804 116 L CB 1.630 43.496 42.059 -0.322 0.000 1.195 116 L HN 0.582 nan 8.230 nan 0.000 0.428 117 E N 3.270 123.514 120.200 0.072 0.000 2.171 117 E HA 0.513 4.831 4.350 -0.053 0.000 0.271 117 E C -1.744 174.894 176.600 0.063 0.000 0.916 117 E CA -0.560 55.782 56.400 -0.096 0.000 0.774 117 E CB 1.525 31.183 29.700 -0.070 0.000 1.128 117 E HN 0.459 nan 8.360 nan 0.000 0.403 118 Y N 1.482 121.650 120.300 -0.219 0.000 2.689 118 Y HA 0.428 4.947 4.550 -0.052 0.000 0.333 118 Y C -0.508 175.325 175.900 -0.112 0.000 1.208 118 Y CA -1.447 56.600 58.100 -0.090 0.000 1.055 118 Y CB 0.583 39.054 38.460 0.019 0.000 1.304 118 Y HN 0.552 nan 8.280 nan 0.000 0.455 119 N N -0.251 118.444 118.700 -0.008 0.000 2.780 119 N HA -0.275 4.433 4.740 -0.053 0.000 0.248 119 N C -1.221 174.254 175.510 -0.059 0.000 1.102 119 N CA 0.906 53.899 53.050 -0.095 0.000 0.697 119 N CB -1.724 36.564 38.487 -0.331 0.000 1.028 119 N HN 0.874 nan 8.380 nan 0.000 0.554 120 Y N 0.550 120.793 120.300 -0.096 0.000 2.650 120 Y HA 0.311 4.830 4.550 -0.051 0.000 0.342 120 Y C -0.008 175.868 175.900 -0.039 0.000 1.110 120 Y CA -0.209 57.848 58.100 -0.072 0.000 1.438 120 Y CB 0.534 38.917 38.460 -0.128 0.000 1.181 120 Y HN 0.002 nan 8.280 nan 0.000 0.526 121 V N 7.982 127.661 119.914 -0.390 0.000 2.334 121 V HA 0.226 4.314 4.120 -0.053 0.000 0.281 121 V C -0.070 175.655 176.094 -0.616 0.000 1.016 121 V CA -1.224 60.848 62.300 -0.381 0.000 0.832 121 V CB 1.006 32.699 31.823 -0.218 0.000 0.999 121 V HN 0.716 nan 8.190 nan 0.000 0.439 122 K N 3.967 123.991 120.400 -0.626 0.000 2.237 122 K HA 0.325 4.613 4.320 -0.053 0.000 0.270 122 K C 0.382 176.804 176.600 -0.297 0.000 1.015 122 K CA -0.116 55.895 56.287 -0.460 0.000 0.949 122 K CB 1.444 33.867 32.500 -0.128 0.000 0.976 122 K HN 0.781 nan 8.250 nan 0.000 0.472 123 Q N 2.632 122.254 119.800 -0.295 0.000 2.471 123 Q HA 0.224 4.532 4.340 -0.053 0.000 0.207 123 Q C -0.289 175.512 176.000 -0.332 0.000 0.889 123 Q CA -0.390 55.071 55.803 -0.570 0.000 0.726 123 Q CB 0.190 28.434 28.738 -0.823 0.000 2.132 123 Q HN 0.725 nan 8.270 nan 0.000 0.531 124 W N -0.156 121.138 121.300 -0.009 0.000 2.474 124 W HA 0.456 5.085 4.660 -0.053 0.000 0.567 124 W C 1.624 178.135 176.519 -0.013 0.000 1.678 124 W CA -0.891 56.468 57.345 0.024 0.000 1.707 124 W CB -0.003 29.429 29.460 -0.047 0.000 2.723 124 W HN 0.243 nan 8.180 nan 0.000 0.739 125 R N -0.473 120.150 120.500 0.206 0.000 2.083 125 R HA -0.180 4.128 4.340 -0.053 0.000 0.237 125 R C 1.600 177.790 176.300 -0.183 0.000 1.137 125 R CA 2.272 58.331 56.100 -0.068 0.000 0.951 125 R CB -0.427 29.724 30.300 -0.248 0.000 0.851 125 R HN 0.573 nan 8.270 nan 0.000 0.434 126 H N -1.306 117.849 119.070 0.142 0.000 2.615 126 H HA 0.170 4.694 4.556 -0.054 0.000 0.275 126 H C 0.725 176.188 175.328 0.226 0.000 0.981 126 H CA 0.309 56.466 56.048 0.180 0.000 1.252 126 H CB 0.458 30.297 29.762 0.129 0.000 1.447 126 H HN 0.161 nan 8.280 nan 0.000 0.498 127 S N 0.649 116.420 115.700 0.118 0.000 2.608 127 S HA 0.332 4.770 4.470 -0.053 0.000 0.261 127 S C -0.386 174.237 174.600 0.038 0.000 1.314 127 S CA -0.440 57.602 58.200 -0.264 0.000 0.992 127 S CB 0.657 63.193 63.200 -1.107 0.000 0.935 127 S HN 0.503 nan 8.310 nan 0.000 0.564 128 Y N -2.891 117.299 120.300 -0.183 0.000 2.818 128 Y HA 0.667 5.185 4.550 -0.053 0.000 0.341 128 Y C -0.787 175.054 175.900 -0.097 0.000 1.283 128 Y CA -1.042 56.919 58.100 -0.231 0.000 1.075 128 Y CB 0.514 38.806 38.460 -0.279 0.000 1.370 128 Y HN 0.862 nan 8.280 nan 0.000 0.448 129 T N -0.284 114.253 114.554 -0.027 0.000 2.930 129 T HA 1.003 5.321 4.350 -0.053 0.000 0.290 129 T C -0.553 174.173 174.700 0.043 0.000 1.052 129 T CA -0.221 61.881 62.100 0.005 0.000 1.017 129 T CB 1.828 70.668 68.868 -0.046 0.000 1.137 129 T HN 1.840 nan 8.240 nan 0.000 0.511 130 A N 0.733 123.547 122.820 -0.010 0.000 2.540 130 A HA 0.761 5.049 4.320 -0.053 0.000 0.291 130 A C -0.848 176.477 177.584 -0.431 0.000 1.083 130 A CA -1.007 50.893 52.037 -0.230 0.000 0.650 130 A CB 0.920 19.763 19.000 -0.261 0.000 1.292 130 A HN 0.866 nan 8.150 nan 0.000 0.435 131 S N -0.492 114.734 115.700 -0.790 0.000 2.537 131 S HA 0.774 5.213 4.470 -0.053 0.000 0.301 131 S C -1.564 172.427 174.600 -1.016 0.000 1.092 131 S CA -0.108 57.567 58.200 -0.874 0.000 1.048 131 S CB 0.747 63.217 63.200 -1.218 0.000 1.053 131 S HN 0.447 nan 8.310 nan 0.000 0.501 132 Y N 0.610 120.736 120.300 -0.290 0.000 2.406 132 Y HA 0.477 4.994 4.550 -0.054 0.000 0.340 132 Y C -0.233 175.737 175.900 0.118 0.000 0.975 132 Y CA -0.872 57.196 58.100 -0.054 0.000 1.056 132 Y CB 1.682 40.042 38.460 -0.166 0.000 1.210 132 Y HN 0.552 nan 8.280 nan 0.000 0.448 133 D N 2.198 122.833 120.400 0.392 0.000 2.374 133 D HA 0.687 5.295 4.640 -0.053 0.000 0.239 133 D C -1.005 175.419 176.300 0.207 0.000 0.991 133 D CA -0.345 53.831 54.000 0.293 0.000 0.960 133 D CB 1.960 42.995 40.800 0.391 0.000 1.284 133 D HN 0.329 nan 8.370 nan 0.000 0.512 134 I N 1.010 121.701 120.570 0.202 0.000 2.608 134 I HA 0.372 4.510 4.170 -0.053 0.000 0.295 134 I C -1.350 174.980 176.117 0.355 0.000 1.049 134 I CA -1.002 60.449 61.300 0.252 0.000 1.063 134 I CB 1.789 39.890 38.000 0.167 0.000 1.248 134 I HN 0.299 nan 8.210 nan 0.000 0.424 135 Y N 3.642 124.109 120.300 0.279 0.000 2.376 135 Y HA 0.327 4.844 4.550 -0.054 0.000 0.340 135 Y C -0.564 175.544 175.900 0.347 0.000 0.965 135 Y CA -0.679 57.592 58.100 0.286 0.000 1.078 135 Y CB 1.532 40.173 38.460 0.302 0.000 1.193 135 Y HN 0.454 nan 8.280 nan 0.000 0.452 136 D N 5.728 126.055 120.400 -0.121 0.000 2.339 136 D HA 0.145 4.753 4.640 -0.053 0.000 0.241 136 D C 0.605 176.675 176.300 -0.384 0.000 1.183 136 D CA 0.286 54.187 54.000 -0.164 0.000 0.859 136 D CB 1.164 41.898 40.800 -0.110 0.000 1.067 136 D HN 0.802 nan 8.370 nan 0.000 0.484 137 L N 3.445 124.528 121.223 -0.233 0.000 2.201 137 L HA -0.129 4.180 4.340 -0.053 0.000 0.212 137 L C 1.498 178.240 176.870 -0.213 0.000 1.105 137 L CA 0.631 55.392 54.840 -0.130 0.000 0.775 137 L CB -0.164 41.843 42.059 -0.087 0.000 0.913 137 L HN 0.292 nan 8.230 nan 0.000 0.440 138 N N 0.017 118.548 118.700 -0.281 0.000 2.457 138 N HA -0.034 4.675 4.740 -0.053 0.000 0.180 138 N C -0.321 175.075 175.510 -0.190 0.000 1.050 138 N CA 0.836 53.750 53.050 -0.227 0.000 0.906 138 N CB 0.125 38.466 38.487 -0.244 0.000 0.968 138 N HN 0.306 nan 8.380 nan 0.000 0.445 139 K N 0.036 120.300 120.400 -0.226 0.000 2.507 139 K HA 0.284 4.572 4.320 -0.053 0.000 0.252 139 K C -0.511 175.920 176.600 -0.281 0.000 0.943 139 K CA -0.644 55.526 56.287 -0.195 0.000 0.808 139 K CB 2.411 34.818 32.500 -0.154 0.000 1.142 139 K HN -0.131 nan 8.250 nan 0.000 0.426 140 R N 2.628 123.026 120.500 -0.171 0.000 4.160 140 R HA -0.085 4.223 4.340 -0.053 0.000 0.201 140 R C -0.667 175.557 176.300 -0.126 0.000 2.224 140 R CA 0.874 56.918 56.100 -0.093 0.000 1.808 140 R CB -0.110 30.193 30.300 0.004 0.000 1.109 140 R HN 0.539 nan 8.270 nan 0.000 0.625 141 Q N 0.200 119.708 119.800 -0.488 0.000 2.345 141 Q HA 0.297 4.605 4.340 -0.053 0.000 0.275 141 Q C -1.085 174.745 176.000 -0.282 0.000 1.063 141 Q CA -0.838 54.837 55.803 -0.215 0.000 0.819 141 Q CB 2.493 31.186 28.738 -0.075 0.000 1.356 141 Q HN 0.229 nan 8.270 nan 0.000 0.418 142 L N 3.486 124.827 121.223 0.197 0.000 2.455 142 L HA 0.225 4.533 4.340 -0.053 0.000 0.272 142 L C 0.414 177.373 176.870 0.148 0.000 1.174 142 L CA -0.140 54.885 54.840 0.308 0.000 0.869 142 L CB -0.061 42.235 42.059 0.395 0.000 1.130 142 L HN 0.557 nan 8.230 nan 0.000 0.474 143 I N 0.306 120.959 120.570 0.139 0.000 2.471 143 I HA 0.107 4.246 4.170 -0.053 0.000 0.286 143 I C 0.561 176.728 176.117 0.083 0.000 1.079 143 I CA 0.116 61.471 61.300 0.092 0.000 1.398 143 I CB 1.378 39.428 38.000 0.084 0.000 1.403 143 I HN 0.585 nan 8.210 nan 0.000 0.530 144 T N 5.163 119.752 114.554 0.058 0.000 3.040 144 T HA 0.163 4.481 4.350 -0.053 0.000 0.266 144 T C 0.224 174.934 174.700 0.016 0.000 1.005 144 T CA -0.185 61.944 62.100 0.050 0.000 0.906 144 T CB -0.100 68.800 68.868 0.055 0.000 1.082 144 T HN 0.878 nan 8.240 nan 0.000 0.531 145 E N 0.715 120.917 120.200 0.003 0.000 2.256 145 E HA 0.433 4.752 4.350 -0.053 0.000 0.267 145 E C -0.970 175.607 176.600 -0.038 0.000 0.892 145 E CA -0.779 55.610 56.400 -0.018 0.000 0.775 145 E CB 1.035 30.728 29.700 -0.011 0.000 1.207 145 E HN -0.101 nan 8.360 nan 0.000 0.420 146 E N 1.029 121.193 120.200 -0.061 0.000 2.230 146 E HA -0.201 4.117 4.350 -0.053 0.000 0.206 146 E C -0.808 175.725 176.600 -0.112 0.000 1.309 146 E CA 0.660 57.007 56.400 -0.089 0.000 0.697 146 E CB -1.252 28.405 29.700 -0.071 0.000 1.146 146 E HN 0.565 nan 8.360 nan 0.000 0.363 147 R N -0.048 120.374 120.500 -0.130 0.000 2.490 147 R HA 0.422 4.730 4.340 -0.053 0.000 0.278 147 R C 1.088 177.221 176.300 -0.278 0.000 1.069 147 R CA -0.799 55.211 56.100 -0.149 0.000 1.080 147 R CB 0.723 30.967 30.300 -0.092 0.000 1.030 147 R HN 0.155 nan 8.270 nan 0.000 0.491 148 I N 4.724 125.090 120.570 -0.340 0.000 2.828 148 I HA -0.076 4.062 4.170 -0.053 0.000 0.292 148 I C -1.744 174.056 176.117 -0.529 0.000 1.206 148 I CA -1.018 59.908 61.300 -0.623 0.000 1.420 148 I CB 0.097 37.746 38.000 -0.585 0.000 1.368 148 I HN 0.265 nan 8.210 nan 0.000 0.556 149 P HA -0.062 nan 4.420 nan 0.000 0.267 149 P C -0.878 176.232 177.300 -0.317 0.000 1.195 149 P CA 0.185 62.875 63.100 -0.684 0.000 0.773 149 P CB 0.310 31.106 31.700 -1.507 0.000 0.837 150 N N 2.601 121.218 118.700 -0.138 0.000 2.524 150 N HA 0.104 4.812 4.740 -0.053 0.000 0.283 150 N C 0.341 175.942 175.510 0.151 0.000 1.142 150 N CA -0.054 52.981 53.050 -0.025 0.000 0.984 150 N CB -0.211 38.249 38.487 -0.045 0.000 1.155 150 N HN 0.376 nan 8.380 nan 0.000 0.467 151 N N -0.461 118.287 118.700 0.081 0.000 2.815 151 N HA -0.144 4.564 4.740 -0.053 0.000 0.248 151 N C -0.998 174.653 175.510 0.236 0.000 1.110 151 N CA 0.633 53.750 53.050 0.111 0.000 0.699 151 N CB -1.265 37.272 38.487 0.083 0.000 1.040 151 N HN 0.511 nan 8.380 nan 0.000 0.555 152 T N 0.515 115.222 114.554 0.255 0.000 2.907 152 T HA 0.162 4.481 4.350 -0.053 0.000 0.298 152 T C 1.682 176.533 174.700 0.252 0.000 1.017 152 T CA 0.035 62.318 62.100 0.304 0.000 1.118 152 T CB 1.303 70.258 68.868 0.145 0.000 0.948 152 T HN 0.155 nan 8.240 nan 0.000 0.531 153 Q N 1.277 121.230 119.800 0.256 0.000 2.339 153 Q HA 0.192 4.500 4.340 -0.053 0.000 0.205 153 Q C -0.001 176.224 176.000 0.375 0.000 0.925 153 Q CA 0.302 56.288 55.803 0.304 0.000 0.898 153 Q CB 0.860 29.771 28.738 0.288 0.000 1.013 153 Q HN 0.668 nan 8.270 nan 0.000 0.504 154 W N -0.288 120.995 121.300 -0.028 0.000 3.464 154 W HA 0.423 5.052 4.660 -0.051 0.000 0.292 154 W C -2.286 174.133 176.519 -0.166 0.000 1.262 154 W CA -0.577 56.693 57.345 -0.125 0.000 1.202 154 W CB 1.186 30.505 29.460 -0.235 0.000 1.334 154 W HN -0.383 nan 8.180 nan 0.000 0.561 155 V N 2.978 122.317 119.914 -0.958 0.000 2.733 155 V HA 0.549 4.637 4.120 -0.053 0.000 0.306 155 V C -0.155 175.499 176.094 -0.733 0.000 1.084 155 V CA -0.604 61.256 62.300 -0.734 0.000 0.905 155 V CB 1.722 32.945 31.823 -0.999 0.000 1.010 155 V HN 0.496 nan 8.190 nan 0.000 0.424 156 T N 0.996 115.376 114.554 -0.290 0.000 2.893 156 T HA 0.622 4.940 4.350 -0.053 0.000 0.293 156 T C -0.803 173.925 174.700 0.047 0.000 1.027 156 T CA -0.444 61.623 62.100 -0.055 0.000 0.988 156 T CB 1.220 70.257 68.868 0.282 0.000 1.043 156 T HN 0.487 nan 8.240 nan 0.000 0.461 157 W N 2.434 123.802 121.300 0.114 0.000 2.093 157 W HA 0.438 5.066 4.660 -0.052 0.000 0.352 157 W C 1.301 177.769 176.519 -0.085 0.000 1.294 157 W CA -0.632 56.739 57.345 0.044 0.000 1.290 157 W CB 0.648 30.123 29.460 0.024 0.000 1.149 157 W HN 0.921 nan 8.180 nan 0.000 0.606 158 S N 0.659 116.237 115.700 -0.202 0.000 2.624 158 S HA 0.209 4.647 4.470 -0.053 0.000 0.263 158 S C -1.909 172.531 174.600 -0.267 0.000 1.287 158 S CA -1.015 56.626 58.200 -0.931 0.000 0.990 158 S CB 0.803 63.237 63.200 -1.276 0.000 0.950 158 S HN 0.252 nan 8.310 nan 0.000 0.561 159 P HA 0.114 nan 4.420 nan 0.000 0.219 159 P C 0.086 177.347 177.300 -0.066 0.000 1.150 159 P CA 0.553 63.634 63.100 -0.033 0.000 0.814 159 P CB 0.156 31.862 31.700 0.011 0.000 0.787 160 V N -1.402 118.426 119.914 -0.143 0.000 2.569 160 V HA 0.733 4.822 4.120 -0.053 0.000 0.301 160 V C -0.021 175.967 176.094 -0.176 0.000 1.044 160 V CA 0.369 62.597 62.300 -0.121 0.000 0.874 160 V CB 0.771 32.541 31.823 -0.088 0.000 1.002 160 V HN 0.509 nan 8.190 nan 0.000 0.424 161 G N 5.698 114.408 108.800 -0.150 0.000 2.418 161 G HA2 -0.050 3.878 3.960 -0.053 0.000 0.206 161 G HA3 -0.050 3.878 3.960 -0.053 0.000 0.206 161 G C -0.112 174.693 174.900 -0.157 0.000 1.202 161 G CA 0.107 45.092 45.100 -0.193 0.000 1.061 161 G HN 1.966 nan 8.290 nan 0.000 0.563 162 H N -0.211 118.836 119.070 -0.039 0.000 2.767 162 H HA 0.455 4.979 4.556 -0.053 0.000 0.235 162 H C 0.155 175.628 175.328 0.241 0.000 1.256 162 H CA -0.333 55.736 56.048 0.035 0.000 0.957 162 H CB -0.025 29.811 29.762 0.124 0.000 2.117 162 H HN 0.440 nan 8.280 nan 0.000 0.602 163 K N 1.654 122.093 120.400 0.065 0.000 2.237 163 K HA 0.428 4.716 4.320 -0.053 0.000 0.270 163 K C -0.389 176.362 176.600 0.251 0.000 1.015 163 K CA -0.417 55.912 56.287 0.070 0.000 0.949 163 K CB 1.698 34.045 32.500 -0.255 0.000 0.976 163 K HN 0.186 nan 8.250 nan 0.000 0.472 164 L N 1.528 122.897 121.223 0.242 0.000 2.362 164 L HA 0.555 4.863 4.340 -0.053 0.000 0.271 164 L C -0.675 176.390 176.870 0.325 0.000 1.002 164 L CA -0.784 54.154 54.840 0.164 0.000 0.818 164 L CB 2.036 44.060 42.059 -0.059 0.000 1.298 164 L HN 0.673 nan 8.230 nan 0.000 0.420 165 A N 2.649 125.659 122.820 0.316 0.000 2.355 165 A HA 0.830 5.118 4.320 -0.053 0.000 0.317 165 A C -1.512 176.113 177.584 0.070 0.000 1.094 165 A CA -0.379 51.739 52.037 0.135 0.000 0.764 165 A CB 1.143 20.157 19.000 0.024 0.000 1.230 165 A HN 0.654 nan 8.150 nan 0.000 0.448 166 Y N -0.759 119.512 120.300 -0.050 0.000 2.615 166 Y HA 0.779 5.297 4.550 -0.053 0.000 0.341 166 Y C -1.273 174.644 175.900 0.027 0.000 1.089 166 Y CA -1.606 56.444 58.100 -0.084 0.000 1.049 166 Y CB 1.143 39.484 38.460 -0.197 0.000 1.296 166 Y HN 0.401 nan 8.280 nan 0.000 0.470 167 V N 2.109 122.187 119.914 0.273 0.000 2.487 167 V HA 0.370 4.458 4.120 -0.053 0.000 0.298 167 V C -1.604 174.726 176.094 0.394 0.000 1.028 167 V CA -0.576 61.856 62.300 0.219 0.000 0.860 167 V CB 1.399 33.258 31.823 0.060 0.000 0.991 167 V HN 0.860 nan 8.190 nan 0.000 0.427 168 W N 5.573 126.984 121.300 0.185 0.000 3.042 168 W HA 0.455 5.083 4.660 -0.053 0.000 0.337 168 W C 0.329 176.905 176.519 0.094 0.000 1.086 168 W CA -0.635 56.786 57.345 0.126 0.000 1.236 168 W CB 1.230 30.741 29.460 0.084 0.000 1.381 168 W HN 0.778 nan 8.180 nan 0.000 0.472 169 N N 5.046 123.456 118.700 -0.484 0.000 2.725 169 N HA -0.329 4.380 4.740 -0.053 0.000 0.249 169 N C -0.028 175.353 175.510 -0.216 0.000 1.103 169 N CA 1.022 53.781 53.050 -0.485 0.000 0.707 169 N CB -0.911 37.105 38.487 -0.784 0.000 1.043 169 N HN 0.739 nan 8.380 nan 0.000 0.553 170 N N -1.130 117.507 118.700 -0.105 0.000 2.850 170 N HA -0.143 4.565 4.740 -0.053 0.000 0.249 170 N C -1.526 173.933 175.510 -0.086 0.000 1.060 170 N CA 1.548 54.551 53.050 -0.079 0.000 0.825 170 N CB -0.514 37.870 38.487 -0.173 0.000 1.132 170 N HN 0.505 nan 8.380 nan 0.000 0.564 171 D N -0.074 120.299 120.400 -0.045 0.000 2.342 171 D HA 0.479 5.088 4.640 -0.053 0.000 0.243 171 D C 0.472 176.672 176.300 -0.168 0.000 1.019 171 D CA -0.432 53.476 54.000 -0.154 0.000 0.864 171 D CB 1.331 42.019 40.800 -0.186 0.000 1.315 171 D HN 0.020 nan 8.370 nan 0.000 0.468 172 I N 1.841 122.139 120.570 -0.454 0.000 2.396 172 I HA 0.222 4.360 4.170 -0.053 0.000 0.292 172 I C -0.577 175.119 176.117 -0.701 0.000 0.999 172 I CA -0.401 60.610 61.300 -0.481 0.000 1.310 172 I CB 0.509 38.134 38.000 -0.625 0.000 1.404 172 I HN 0.167 nan 8.210 nan 0.000 0.496 173 Y N 4.067 124.001 120.300 -0.611 0.000 2.570 173 Y HA 0.680 5.198 4.550 -0.053 0.000 0.345 173 Y C -0.330 175.255 175.900 -0.525 0.000 1.014 173 Y CA -0.976 56.729 58.100 -0.658 0.000 1.063 173 Y CB 2.074 39.909 38.460 -1.042 0.000 1.272 173 Y HN 0.102 nan 8.280 nan 0.000 0.477 174 V N 2.246 122.113 119.914 -0.079 0.000 2.623 174 V HA 0.395 4.484 4.120 -0.053 0.000 0.304 174 V C -0.933 175.309 176.094 0.247 0.000 1.054 174 V CA -1.468 60.883 62.300 0.084 0.000 0.882 174 V CB 1.858 33.746 31.823 0.108 0.000 1.002 174 V HN 0.611 nan 8.190 nan 0.000 0.424 175 K N 4.506 125.047 120.400 0.235 0.000 2.265 175 K HA 0.496 4.784 4.320 -0.053 0.000 0.267 175 K C 0.387 177.133 176.600 0.244 0.000 0.994 175 K CA -0.764 55.666 56.287 0.238 0.000 0.860 175 K CB 1.881 34.477 32.500 0.160 0.000 1.099 175 K HN 0.434 nan 8.250 nan 0.000 0.448 176 I N 1.472 122.204 120.570 0.271 0.000 2.546 176 I HA -0.059 4.079 4.170 -0.053 0.000 0.255 176 I C 0.446 176.670 176.117 0.179 0.000 1.163 176 I CA 1.438 62.850 61.300 0.186 0.000 1.457 176 I CB -0.451 37.654 38.000 0.175 0.000 1.092 176 I HN 0.665 nan 8.210 nan 0.000 0.434 177 E N -0.729 119.579 120.200 0.181 0.000 2.383 177 E HA 0.236 4.554 4.350 -0.053 0.000 0.275 177 E C -1.941 174.683 176.600 0.040 0.000 0.918 177 E CA -1.565 54.931 56.400 0.159 0.000 0.764 177 E CB 2.725 32.520 29.700 0.159 0.000 1.252 177 E HN -0.215 nan 8.360 nan 0.000 0.449 178 P HA -0.112 nan 4.420 nan 0.000 0.219 178 P C 0.682 177.918 177.300 -0.107 0.000 1.150 178 P CA 1.038 64.030 63.100 -0.180 0.000 0.814 178 P CB 0.184 31.575 31.700 -0.515 0.000 0.787 179 N N -1.213 117.442 118.700 -0.074 0.000 2.353 179 N HA -0.005 4.703 4.740 -0.053 0.000 0.185 179 N C 0.349 175.851 175.510 -0.014 0.000 1.098 179 N CA 0.444 53.477 53.050 -0.027 0.000 0.872 179 N CB -0.400 38.089 38.487 0.004 0.000 0.970 179 N HN 0.043 nan 8.380 nan 0.000 0.467 180 L N 1.396 122.617 121.223 -0.002 0.000 2.439 180 L HA 0.537 4.845 4.340 -0.053 0.000 0.259 180 L C -2.103 174.745 176.870 -0.037 0.000 1.129 180 L CA -2.240 52.598 54.840 -0.003 0.000 0.803 180 L CB 0.436 42.518 42.059 0.038 0.000 1.161 180 L HN -0.100 nan 8.230 nan 0.000 0.462 181 P HA 0.073 nan 4.420 nan 0.000 0.269 181 P C -0.497 176.684 177.300 -0.199 0.000 1.209 181 P CA -0.194 62.819 63.100 -0.145 0.000 0.776 181 P CB 0.516 32.104 31.700 -0.187 0.000 0.876 182 S N 2.386 118.013 115.700 -0.122 0.000 2.632 182 S HA 0.376 4.815 4.470 -0.053 0.000 0.267 182 S C -0.868 173.625 174.600 -0.178 0.000 1.276 182 S CA -0.266 57.913 58.200 -0.034 0.000 0.998 182 S CB 0.080 63.338 63.200 0.097 0.000 0.953 182 S HN 0.244 nan 8.310 nan 0.000 0.547 183 Y N 0.361 120.682 120.300 0.036 0.000 2.341 183 Y HA 0.475 4.993 4.550 -0.054 0.000 0.337 183 Y C 0.772 176.599 175.900 -0.122 0.000 1.014 183 Y CA -0.872 57.229 58.100 0.002 0.000 1.111 183 Y CB 1.027 39.490 38.460 0.005 0.000 1.194 183 Y HN 0.698 nan 8.280 nan 0.000 0.462 184 R N 3.331 123.778 120.500 -0.089 0.000 2.401 184 R HA 0.189 4.497 4.340 -0.053 0.000 0.299 184 R C 0.217 176.290 176.300 -0.379 0.000 1.064 184 R CA 0.094 55.840 56.100 -0.590 0.000 1.000 184 R CB 0.245 30.021 30.300 -0.872 0.000 0.973 184 R HN 0.760 nan 8.270 nan 0.000 0.438 185 I N 2.049 122.304 120.570 -0.525 0.000 2.810 185 I HA -0.011 4.127 4.170 -0.053 0.000 0.262 185 I C 1.059 176.997 176.117 -0.299 0.000 1.131 185 I CA 0.906 62.022 61.300 -0.306 0.000 1.453 185 I CB -0.618 37.163 38.000 -0.365 0.000 1.161 185 I HN 0.621 nan 8.210 nan 0.000 0.444 186 T N -3.525 110.703 114.554 -0.543 0.000 2.912 186 T HA 0.401 4.719 4.350 -0.053 0.000 0.288 186 T C -0.506 173.893 174.700 -0.501 0.000 1.030 186 T CA -0.471 61.397 62.100 -0.386 0.000 1.020 186 T CB 2.011 70.615 68.868 -0.440 0.000 1.056 186 T HN 0.207 nan 8.240 nan 0.000 0.480 187 W N 0.008 121.195 121.300 -0.189 0.000 2.324 187 W HA 0.215 4.844 4.660 -0.052 0.000 0.316 187 W C 1.978 178.441 176.519 -0.093 0.000 0.927 187 W CA -0.105 57.168 57.345 -0.120 0.000 1.438 187 W CB 0.200 29.608 29.460 -0.086 0.000 1.085 187 W HN 0.917 nan 8.180 nan 0.000 0.532 188 T N -2.685 111.908 114.554 0.064 0.000 3.067 188 T HA 0.213 4.531 4.350 -0.053 0.000 0.257 188 T C 1.321 176.017 174.700 -0.007 0.000 1.105 188 T CA 0.446 62.567 62.100 0.034 0.000 1.104 188 T CB -0.246 68.629 68.868 0.012 0.000 0.925 188 T HN 0.001 nan 8.240 nan 0.000 0.498 189 G N 1.384 110.153 108.800 -0.053 0.000 2.313 189 G HA2 0.406 4.334 3.960 -0.053 0.000 0.250 189 G HA3 0.406 4.334 3.960 -0.053 0.000 0.250 189 G C -0.652 174.187 174.900 -0.103 0.000 1.281 189 G CA -0.452 44.594 45.100 -0.090 0.000 0.917 189 G HN 0.497 nan 8.290 nan 0.000 0.501 190 K N 1.746 122.065 120.400 -0.135 0.000 2.426 190 K HA 0.265 4.553 4.320 -0.053 0.000 0.251 190 K C -0.272 176.200 176.600 -0.214 0.000 0.941 190 K CA -0.752 55.455 56.287 -0.134 0.000 0.808 190 K CB 2.092 34.546 32.500 -0.076 0.000 1.265 190 K HN 0.561 nan 8.250 nan 0.000 0.432 191 E N 2.279 122.374 120.200 -0.177 0.000 2.415 191 E HA -0.085 4.233 4.350 -0.053 0.000 0.263 191 E C -0.621 175.885 176.600 -0.157 0.000 0.995 191 E CA 0.596 56.884 56.400 -0.186 0.000 0.915 191 E CB 0.345 29.971 29.700 -0.123 0.000 0.951 191 E HN 0.636 nan 8.360 nan 0.000 0.449 192 D N 2.303 122.590 120.400 -0.190 0.000 2.978 192 D HA -0.244 4.364 4.640 -0.053 0.000 0.205 192 D C 0.537 176.867 176.300 0.050 0.000 1.093 192 D CA 1.558 55.566 54.000 0.014 0.000 1.006 192 D CB -0.761 40.081 40.800 0.070 0.000 1.116 192 D HN 0.520 nan 8.370 nan 0.000 0.419 193 I N -0.943 119.556 120.570 -0.117 0.000 3.746 193 I HA 0.075 4.213 4.170 -0.053 0.000 0.262 193 I C 0.386 176.541 176.117 0.063 0.000 1.153 193 I CA -0.003 61.316 61.300 0.031 0.000 1.395 193 I CB 0.715 38.719 38.000 0.007 0.000 1.589 193 I HN -0.171 nan 8.210 nan 0.000 0.441 194 I N 1.618 122.129 120.570 -0.097 0.000 2.382 194 I HA 0.267 4.406 4.170 -0.053 0.000 0.286 194 I C -1.444 174.625 176.117 -0.081 0.000 1.002 194 I CA -0.541 60.775 61.300 0.027 0.000 1.135 194 I CB 0.727 38.744 38.000 0.028 0.000 1.288 194 I HN 0.040 nan 8.210 nan 0.000 0.448 195 Y N 4.771 125.162 120.300 0.152 0.000 2.334 195 Y HA 0.396 4.914 4.550 -0.053 0.000 0.336 195 Y C 0.506 176.469 175.900 0.104 0.000 0.960 195 Y CA -0.801 57.389 58.100 0.151 0.000 1.164 195 Y CB 0.919 39.538 38.460 0.266 0.000 1.155 195 Y HN 0.406 nan 8.280 nan 0.000 0.478 196 N N 2.412 121.171 118.700 0.097 0.000 2.437 196 N HA 0.359 5.067 4.740 -0.053 0.000 0.259 196 N C 0.828 176.262 175.510 -0.126 0.000 0.983 196 N CA 0.381 53.400 53.050 -0.051 0.000 0.937 196 N CB 1.805 40.140 38.487 -0.254 0.000 1.122 196 N HN 1.001 nan 8.380 nan 0.000 0.499 197 G N 1.567 110.315 108.800 -0.087 0.000 2.176 197 G HA2 -0.245 3.683 3.960 -0.053 0.000 0.253 197 G HA3 -0.245 3.683 3.960 -0.053 0.000 0.253 197 G C 0.032 174.800 174.900 -0.219 0.000 0.979 197 G CA 0.478 45.464 45.100 -0.189 0.000 0.641 197 G HN 0.657 nan 8.290 nan 0.000 0.530 198 I N -1.614 118.906 120.570 -0.084 0.000 2.865 198 I HA 0.814 4.952 4.170 -0.053 0.000 0.302 198 I C 0.277 176.465 176.117 0.119 0.000 1.140 198 I CA -0.702 60.466 61.300 -0.220 0.000 1.021 198 I CB 1.984 39.716 38.000 -0.447 0.000 1.233 198 I HN 0.201 nan 8.210 nan 0.000 0.427 199 T N -0.648 113.890 114.554 -0.027 0.000 2.899 199 T HA 0.440 4.758 4.350 -0.053 0.000 0.284 199 T C -0.217 174.201 174.700 -0.471 0.000 1.004 199 T CA -0.578 61.300 62.100 -0.371 0.000 1.043 199 T CB 1.338 70.024 68.868 -0.303 0.000 1.013 199 T HN 0.799 nan 8.240 nan 0.000 0.518 200 D N 0.140 120.002 120.400 -0.897 0.000 2.478 200 D HA 0.069 4.677 4.640 -0.053 0.000 0.274 200 D C 0.989 177.120 176.300 -0.281 0.000 1.234 200 D CA -1.098 52.431 54.000 -0.785 0.000 1.069 200 D CB 0.007 40.340 40.800 -0.779 0.000 1.113 200 D HN 0.702 nan 8.370 nan 0.000 0.571 201 W N 0.028 121.191 121.300 -0.227 0.000 2.332 201 W HA -0.233 4.396 4.660 -0.052 0.000 0.321 201 W C 2.215 178.555 176.519 -0.298 0.000 1.219 201 W CA 3.169 60.377 57.345 -0.228 0.000 1.277 201 W CB -0.458 28.849 29.460 -0.255 0.000 1.161 201 W HN 0.240 nan 8.180 nan 0.000 0.476 202 V N -2.079 117.847 119.914 0.019 0.000 2.427 202 V HA -0.303 3.785 4.120 -0.053 0.000 0.248 202 V C 1.800 177.647 176.094 -0.412 0.000 1.051 202 V CA 1.747 63.934 62.300 -0.188 0.000 1.048 202 V CB -1.765 29.922 31.823 -0.225 0.000 0.666 202 V HN 0.273 nan 8.190 nan 0.000 0.456 203 Y N 1.437 121.425 120.300 -0.520 0.000 2.200 203 Y HA -0.143 4.375 4.550 -0.053 0.000 0.290 203 Y C 2.845 178.425 175.900 -0.533 0.000 1.137 203 Y CA 2.262 59.951 58.100 -0.686 0.000 1.163 203 Y CB -0.302 37.489 38.460 -1.115 0.000 0.988 203 Y HN 0.384 nan 8.280 nan 0.000 0.518 204 E N 0.415 120.440 120.200 -0.291 0.000 2.021 204 E HA -0.341 3.978 4.350 -0.053 0.000 0.200 204 E C 2.115 178.592 176.600 -0.205 0.000 1.015 204 E CA 1.793 58.089 56.400 -0.175 0.000 0.824 204 E CB -0.157 29.470 29.700 -0.122 0.000 0.762 204 E HN 0.365 nan 8.360 nan 0.000 0.454 205 E N -0.014 119.915 120.200 -0.452 0.000 2.077 205 E HA -0.183 4.136 4.350 -0.053 0.000 0.193 205 E C 1.681 178.157 176.600 -0.206 0.000 0.989 205 E CA 1.728 57.873 56.400 -0.424 0.000 0.800 205 E CB 0.151 29.259 29.700 -0.988 0.000 0.746 205 E HN 0.298 nan 8.360 nan 0.000 0.452 206 E N -1.297 118.750 120.200 -0.255 0.000 2.399 206 E HA 0.113 4.431 4.350 -0.053 0.000 0.205 206 E C 1.840 178.324 176.600 -0.195 0.000 0.906 206 E CA 0.454 56.754 56.400 -0.168 0.000 0.998 206 E CB 0.756 30.331 29.700 -0.209 0.000 1.002 206 E HN 0.179 nan 8.360 nan 0.000 0.501 207 V N 0.161 119.896 119.914 -0.299 0.000 2.599 207 V HA 0.024 4.112 4.120 -0.053 0.000 0.237 207 V C 1.657 177.855 176.094 0.173 0.000 1.081 207 V CA 0.831 62.984 62.300 -0.245 0.000 1.107 207 V CB -0.245 31.167 31.823 -0.685 0.000 0.808 207 V HN 0.035 nan 8.190 nan 0.000 0.486 208 F N 0.451 120.407 119.950 0.009 0.000 2.619 208 F HA 0.324 4.819 4.527 -0.053 0.000 0.293 208 F C 1.579 177.338 175.800 -0.067 0.000 1.119 208 F CA -0.096 57.926 58.000 0.037 0.000 1.445 208 F CB -0.966 38.098 39.000 0.106 0.000 1.119 208 F HN 0.126 nan 8.300 nan 0.000 0.573 209 S N 0.552 116.272 115.700 0.034 0.000 3.628 209 S HA 0.104 4.542 4.470 -0.053 0.000 0.373 209 S C -0.025 174.202 174.600 -0.621 0.000 0.968 209 S CA 0.457 58.521 58.200 -0.225 0.000 1.215 209 S CB -1.632 61.510 63.200 -0.097 0.000 0.912 209 S HN 0.761 nan 8.310 nan 0.000 0.495 210 A N -0.095 122.506 122.820 -0.366 0.000 2.596 210 A HA 0.563 4.851 4.320 -0.053 0.000 0.305 210 A C -0.293 177.267 177.584 -0.040 0.000 1.032 210 A CA -0.398 51.490 52.037 -0.248 0.000 0.776 210 A CB 0.114 19.043 19.000 -0.119 0.000 1.253 210 A HN 0.449 nan 8.150 nan 0.000 0.402 211 Y N 2.141 122.280 120.300 -0.268 0.000 2.263 211 Y HA 0.105 4.623 4.550 -0.054 0.000 0.292 211 Y C 1.616 177.232 175.900 -0.473 0.000 1.130 211 Y CA 1.738 59.652 58.100 -0.311 0.000 1.179 211 Y CB -0.072 38.200 38.460 -0.312 0.000 0.998 211 Y HN 0.723 nan 8.280 nan 0.000 0.532 212 S N 0.142 115.317 115.700 -0.875 0.000 2.549 212 S HA 0.442 4.880 4.470 -0.053 0.000 0.283 212 S C 0.224 174.493 174.600 -0.551 0.000 1.320 212 S CA 0.113 57.690 58.200 -1.039 0.000 1.058 212 S CB 0.363 62.837 63.200 -1.209 0.000 0.882 212 S HN 0.436 nan 8.310 nan 0.000 0.498 213 A N 5.490 127.970 122.820 -0.567 0.000 2.959 213 A HA 0.540 4.828 4.320 -0.053 0.000 0.280 213 A C -0.673 176.217 177.584 -1.156 0.000 0.953 213 A CA -0.466 51.181 52.037 -0.650 0.000 1.047 213 A CB -0.091 19.021 19.000 0.187 0.000 1.147 213 A HN 0.676 nan 8.150 nan 0.000 0.489 214 L N -0.049 120.384 121.223 -1.317 0.000 2.354 214 L HA 0.695 5.003 4.340 -0.053 0.000 0.269 214 L C -0.978 175.268 176.870 -1.040 0.000 1.005 214 L CA -0.566 53.751 54.840 -0.872 0.000 0.819 214 L CB 1.889 43.680 42.059 -0.447 0.000 1.311 214 L HN 0.434 nan 8.230 nan 0.000 0.423 215 W N 1.580 122.905 121.300 0.043 0.000 2.934 215 W HA 0.219 4.848 4.660 -0.053 0.000 0.333 215 W C -1.299 175.441 176.519 0.369 0.000 1.035 215 W CA -1.083 56.400 57.345 0.230 0.000 1.256 215 W CB 1.124 30.744 29.460 0.267 0.000 1.306 215 W HN 0.476 nan 8.180 nan 0.000 0.430 216 W N 2.480 124.014 121.300 0.389 0.000 2.170 216 W HA 0.240 4.869 4.660 -0.052 0.000 0.336 216 W C 1.302 177.738 176.519 -0.138 0.000 1.283 216 W CA 0.306 57.758 57.345 0.179 0.000 1.224 216 W CB 0.850 30.369 29.460 0.100 0.000 1.132 216 W HN 0.178 nan 8.180 nan 0.000 0.571 217 S N 2.584 118.095 115.700 -0.314 0.000 2.584 217 S HA 0.146 4.585 4.470 -0.053 0.000 0.270 217 S C -1.832 172.590 174.600 -0.298 0.000 1.346 217 S CA -1.014 56.584 58.200 -1.004 0.000 1.018 217 S CB 1.012 63.598 63.200 -1.023 0.000 0.899 217 S HN 0.268 nan 8.310 nan 0.000 0.542 218 P HA -0.121 nan 4.420 nan 0.000 0.214 218 P C 1.237 178.492 177.300 -0.076 0.000 1.163 218 P CA 1.191 64.248 63.100 -0.072 0.000 0.889 218 P CB -0.154 31.529 31.700 -0.028 0.000 0.790 219 N N -0.984 117.665 118.700 -0.085 0.000 2.133 219 N HA -0.168 4.540 4.740 -0.053 0.000 0.193 219 N C 1.467 176.908 175.510 -0.115 0.000 1.012 219 N CA 2.153 55.155 53.050 -0.080 0.000 0.871 219 N CB -1.026 37.423 38.487 -0.063 0.000 1.011 219 N HN 0.276 nan 8.380 nan 0.000 0.435 220 G N -2.365 106.374 108.800 -0.102 0.000 2.143 220 G HA2 -0.300 3.628 3.960 -0.053 0.000 0.249 220 G HA3 -0.300 3.628 3.960 -0.053 0.000 0.249 220 G C 1.076 175.995 174.900 0.032 0.000 0.981 220 G CA 1.049 46.066 45.100 -0.139 0.000 0.665 220 G HN 0.397 nan 8.290 nan 0.000 0.528 221 T N -0.069 114.489 114.554 0.007 0.000 2.698 221 T HA 0.256 4.575 4.350 -0.053 0.000 0.260 221 T C 0.959 175.600 174.700 -0.098 0.000 1.044 221 T CA 1.134 63.167 62.100 -0.110 0.000 1.149 221 T CB -0.080 68.625 68.868 -0.271 0.000 0.864 221 T HN 0.272 nan 8.240 nan 0.000 0.419 222 F N 0.569 120.578 119.950 0.099 0.000 2.377 222 F HA 0.532 5.027 4.527 -0.053 0.000 0.328 222 F C 0.075 175.993 175.800 0.197 0.000 1.094 222 F CA -1.001 57.099 58.000 0.168 0.000 1.093 222 F CB 0.811 39.972 39.000 0.269 0.000 1.214 222 F HN -0.033 nan 8.300 nan 0.000 0.518 223 L N 2.741 124.127 121.223 0.271 0.000 2.316 223 L HA 0.660 4.968 4.340 -0.053 0.000 0.280 223 L C -0.635 176.313 176.870 0.130 0.000 1.006 223 L CA -0.616 54.187 54.840 -0.060 0.000 0.836 223 L CB 0.902 42.725 42.059 -0.393 0.000 1.221 223 L HN 0.789 nan 8.230 nan 0.000 0.418 224 A N 4.743 127.705 122.820 0.237 0.000 2.310 224 A HA 0.668 4.956 4.320 -0.053 0.000 0.299 224 A C -1.190 176.399 177.584 0.009 0.000 1.147 224 A CA -0.202 51.843 52.037 0.013 0.000 0.818 224 A CB 0.645 19.733 19.000 0.146 0.000 1.096 224 A HN 0.726 nan 8.150 nan 0.000 0.495 225 Y N -1.669 118.423 120.300 -0.346 0.000 2.670 225 Y HA 0.789 5.307 4.550 -0.053 0.000 0.334 225 Y C -0.383 175.368 175.900 -0.247 0.000 1.185 225 Y CA -0.999 56.974 58.100 -0.212 0.000 1.053 225 Y CB 0.884 39.208 38.460 -0.226 0.000 1.298 225 Y HN 0.954 nan 8.280 nan 0.000 0.459 226 A N 1.406 124.334 122.820 0.181 0.000 2.380 226 A HA 0.708 4.996 4.320 -0.053 0.000 0.315 226 A C -1.478 176.059 177.584 -0.077 0.000 1.101 226 A CA -0.864 51.178 52.037 0.007 0.000 0.771 226 A CB 2.030 21.035 19.000 0.009 0.000 1.287 226 A HN 0.816 nan 8.150 nan 0.000 0.436 227 Q N 0.952 120.633 119.800 -0.199 0.000 2.337 227 Q HA 0.642 4.950 4.340 -0.053 0.000 0.270 227 Q C -2.043 173.721 176.000 -0.393 0.000 1.043 227 Q CA -0.417 55.323 55.803 -0.105 0.000 0.794 227 Q CB 1.250 30.132 28.738 0.239 0.000 1.281 227 Q HN 0.595 nan 8.270 nan 0.000 0.446 228 F N 2.012 122.062 119.950 0.166 0.000 2.480 228 F HA 0.431 4.926 4.527 -0.053 0.000 0.329 228 F C 0.408 176.346 175.800 0.230 0.000 1.091 228 F CA -0.928 57.146 58.000 0.123 0.000 0.972 228 F CB 1.428 40.414 39.000 -0.023 0.000 1.150 228 F HN 0.423 nan 8.300 nan 0.000 0.467 229 N N 1.728 120.639 118.700 0.353 0.000 2.479 229 N HA 0.220 4.928 4.740 -0.053 0.000 0.261 229 N C -1.136 174.534 175.510 0.267 0.000 0.979 229 N CA -0.311 52.904 53.050 0.275 0.000 0.930 229 N CB 1.038 39.638 38.487 0.188 0.000 1.172 229 N HN 0.548 nan 8.380 nan 0.000 0.499 230 D N 1.864 122.438 120.400 0.289 0.000 2.643 230 D HA 0.168 4.777 4.640 -0.053 0.000 0.244 230 D C 1.115 177.520 176.300 0.174 0.000 1.257 230 D CA 0.015 54.161 54.000 0.244 0.000 0.831 230 D CB 0.561 41.557 40.800 0.327 0.000 1.043 230 D HN 0.440 nan 8.370 nan 0.000 0.488 231 T N -0.023 114.615 114.554 0.140 0.000 2.635 231 T HA -0.154 4.165 4.350 -0.053 0.000 0.267 231 T C 1.272 176.021 174.700 0.082 0.000 1.040 231 T CA 1.148 63.307 62.100 0.099 0.000 1.156 231 T CB 0.089 69.006 68.868 0.083 0.000 0.863 231 T HN 0.232 nan 8.240 nan 0.000 0.430 232 E N 0.686 120.934 120.200 0.080 0.000 2.496 232 E HA 0.194 4.513 4.350 -0.053 0.000 0.200 232 E C -0.778 175.863 176.600 0.069 0.000 1.016 232 E CA -0.175 56.263 56.400 0.064 0.000 0.962 232 E CB 0.668 30.398 29.700 0.050 0.000 1.071 232 E HN 0.188 nan 8.360 nan 0.000 0.457 233 V N 3.681 123.649 119.914 0.089 0.000 2.455 233 V HA 0.113 4.201 4.120 -0.053 0.000 0.273 233 V C -1.982 174.161 176.094 0.082 0.000 1.045 233 V CA -1.440 60.915 62.300 0.092 0.000 0.976 233 V CB 0.433 32.325 31.823 0.116 0.000 0.993 233 V HN 0.107 nan 8.190 nan 0.000 0.475 234 P HA 0.287 nan 4.420 nan 0.000 0.272 234 P C -0.783 176.550 177.300 0.055 0.000 1.230 234 P CA -0.289 62.843 63.100 0.053 0.000 0.788 234 P CB 0.598 32.326 31.700 0.046 0.000 0.949 235 L N 1.914 123.151 121.223 0.022 0.000 2.307 235 L HA 0.420 4.728 4.340 -0.053 0.000 0.284 235 L C 0.208 177.040 176.870 -0.064 0.000 1.023 235 L CA -0.995 53.846 54.840 0.003 0.000 0.810 235 L CB 1.228 43.287 42.059 -0.000 0.000 1.231 235 L HN 0.264 nan 8.230 nan 0.000 0.423 236 I N 3.234 123.729 120.570 -0.126 0.000 2.365 236 I HA 0.248 4.386 4.170 -0.053 0.000 0.291 236 I C -0.073 175.949 176.117 -0.157 0.000 1.004 236 I CA -0.045 61.091 61.300 -0.274 0.000 1.311 236 I CB 1.161 38.764 38.000 -0.662 0.000 1.401 236 I HN 0.691 nan 8.210 nan 0.000 0.491 237 E N 7.918 128.041 120.200 -0.130 0.000 2.222 237 E HA 0.507 4.825 4.350 -0.053 0.000 0.267 237 E C -1.668 174.930 176.600 -0.003 0.000 0.884 237 E CA -0.550 55.786 56.400 -0.107 0.000 0.764 237 E CB 2.349 31.988 29.700 -0.101 0.000 1.169 237 E HN 0.484 nan 8.360 nan 0.000 0.413 238 Y N -1.848 118.374 120.300 -0.131 0.000 2.609 238 Y HA 0.507 5.025 4.550 -0.053 0.000 0.336 238 Y C -0.699 175.127 175.900 -0.124 0.000 1.129 238 Y CA -1.353 56.671 58.100 -0.127 0.000 1.040 238 Y CB 0.765 39.156 38.460 -0.116 0.000 1.310 238 Y HN 0.188 nan 8.280 nan 0.000 0.460 239 S N 2.029 117.698 115.700 -0.052 0.000 2.548 239 S HA 0.410 4.848 4.470 -0.053 0.000 0.277 239 S C -1.300 173.089 174.600 -0.351 0.000 1.315 239 S CA -0.348 57.661 58.200 -0.317 0.000 1.050 239 S CB 0.120 62.991 63.200 -0.549 0.000 0.918 239 S HN 0.529 nan 8.310 nan 0.000 0.497 240 F N 3.035 122.704 119.950 -0.468 0.000 2.449 240 F HA 0.448 4.943 4.527 -0.053 0.000 0.342 240 F C -0.254 175.326 175.800 -0.367 0.000 1.127 240 F CA -0.852 56.947 58.000 -0.335 0.000 0.975 240 F CB 0.733 39.661 39.000 -0.120 0.000 1.146 240 F HN 0.609 nan 8.300 nan 0.000 0.444 241 Y N 2.917 122.987 120.300 -0.384 0.000 2.397 241 Y HA 0.140 4.658 4.550 -0.053 0.000 0.292 241 Y C 1.687 177.451 175.900 -0.227 0.000 1.115 241 Y CA 0.992 58.953 58.100 -0.231 0.000 1.208 241 Y CB -0.704 37.627 38.460 -0.215 0.000 1.046 241 Y HN 0.748 nan 8.280 nan 0.000 0.552 242 S N -0.284 115.174 115.700 -0.403 0.000 3.569 242 S HA -0.227 4.212 4.470 -0.053 0.000 0.635 242 S C -0.588 174.010 174.600 -0.004 0.000 2.396 242 S CA 0.282 58.429 58.200 -0.089 0.000 2.612 242 S CB -1.281 62.054 63.200 0.225 0.000 0.331 242 S HN 0.403 nan 8.310 nan 0.000 1.764 243 D N 1.584 122.025 120.400 0.069 0.000 2.382 243 D HA 0.256 4.864 4.640 -0.053 0.000 0.240 243 D C 1.355 177.675 176.300 0.033 0.000 1.146 243 D CA 0.525 54.554 54.000 0.048 0.000 0.897 243 D CB 0.398 41.234 40.800 0.060 0.000 1.197 243 D HN 0.594 nan 8.370 nan 0.000 0.432 244 E N 0.777 120.986 120.200 0.016 0.000 2.208 244 E HA -0.293 4.025 4.350 -0.053 0.000 0.202 244 E C 1.424 178.030 176.600 0.010 0.000 1.014 244 E CA 1.622 58.024 56.400 0.004 0.000 0.819 244 E CB 0.112 29.810 29.700 -0.004 0.000 0.735 244 E HN 0.464 nan 8.360 nan 0.000 0.469 245 S N 0.089 115.802 115.700 0.022 0.000 2.442 245 S HA -0.106 4.332 4.470 -0.053 0.000 0.236 245 S C 1.167 175.787 174.600 0.033 0.000 1.007 245 S CA 0.154 58.368 58.200 0.024 0.000 0.965 245 S CB -0.205 63.013 63.200 0.030 0.000 0.773 245 S HN 0.285 nan 8.310 nan 0.000 0.504 246 L N 2.457 123.707 121.223 0.046 0.000 2.407 246 L HA 0.160 4.468 4.340 -0.053 0.000 0.282 246 L C 1.606 178.503 176.870 0.045 0.000 1.110 246 L CA -0.017 54.863 54.840 0.066 0.000 0.863 246 L CB 0.865 42.980 42.059 0.094 0.000 1.207 246 L HN 0.453 nan 8.230 nan 0.000 0.454 247 Q N 4.192 124.017 119.800 0.042 0.000 2.050 247 Q HA -0.149 4.159 4.340 -0.053 0.000 0.202 247 Q C -0.562 175.353 176.000 -0.141 0.000 0.980 247 Q CA 1.676 57.448 55.803 -0.052 0.000 0.840 247 Q CB 0.146 28.871 28.738 -0.021 0.000 0.898 247 Q HN 0.603 nan 8.270 nan 0.000 0.424 248 Y N 0.687 121.006 120.300 0.031 0.000 2.328 248 Y HA 0.369 4.887 4.550 -0.053 0.000 0.333 248 Y C -2.005 173.921 175.900 0.043 0.000 0.958 248 Y CA -2.942 55.177 58.100 0.032 0.000 1.167 248 Y CB 1.362 39.832 38.460 0.017 0.000 1.151 248 Y HN 0.190 nan 8.280 nan 0.000 0.470 249 P HA -0.018 nan 4.420 nan 0.000 0.267 249 P C -0.511 176.833 177.300 0.073 0.000 1.201 249 P CA -0.254 62.921 63.100 0.125 0.000 0.775 249 P CB 0.852 32.630 31.700 0.129 0.000 0.854 250 K N 0.569 120.991 120.400 0.037 0.000 2.095 250 K HA 0.388 4.676 4.320 -0.053 0.000 0.252 250 K C -0.623 175.940 176.600 -0.062 0.000 0.977 250 K CA -0.410 55.885 56.287 0.014 0.000 0.900 250 K CB 0.701 33.231 32.500 0.050 0.000 1.060 250 K HN 0.311 nan 8.250 nan 0.000 0.449 251 T N 2.376 116.877 114.554 -0.088 0.000 2.788 251 T HA 0.233 4.551 4.350 -0.053 0.000 0.296 251 T C -0.699 173.876 174.700 -0.208 0.000 1.009 251 T CA -0.598 61.414 62.100 -0.147 0.000 0.949 251 T CB 0.862 69.665 68.868 -0.108 0.000 0.946 251 T HN 0.253 nan 8.240 nan 0.000 0.453 252 V N 5.390 125.081 119.914 -0.373 0.000 2.488 252 V HA 0.398 4.486 4.120 -0.053 0.000 0.277 252 V C 0.605 176.452 176.094 -0.411 0.000 1.046 252 V CA -0.412 61.611 62.300 -0.463 0.000 0.986 252 V CB 0.626 31.959 31.823 -0.817 0.000 0.989 252 V HN 0.699 nan 8.190 nan 0.000 0.475 253 R N 3.597 123.984 120.500 -0.188 0.000 2.415 253 R HA 0.544 4.852 4.340 -0.053 0.000 0.292 253 R C -1.497 174.811 176.300 0.013 0.000 1.295 253 R CA -0.391 55.652 56.100 -0.095 0.000 1.137 253 R CB 1.835 32.095 30.300 -0.066 0.000 1.135 253 R HN 0.561 nan 8.270 nan 0.000 0.560 254 V N 4.124 124.059 119.914 0.034 0.000 2.417 254 V HA 0.324 4.412 4.120 -0.053 0.000 0.291 254 V C -2.173 173.981 176.094 0.099 0.000 1.024 254 V CA -2.584 59.795 62.300 0.133 0.000 0.861 254 V CB 1.789 33.687 31.823 0.125 0.000 0.985 254 V HN 0.499 nan 8.190 nan 0.000 0.436 255 P HA 0.139 nan 4.420 nan 0.000 0.266 255 P C -1.239 176.156 177.300 0.159 0.000 1.215 255 P CA 0.335 63.530 63.100 0.159 0.000 0.763 255 P CB -0.100 31.725 31.700 0.209 0.000 0.806 256 Y N 5.907 126.174 120.300 -0.055 0.000 2.274 256 Y HA 0.331 4.849 4.550 -0.053 0.000 0.323 256 Y C -2.806 173.050 175.900 -0.073 0.000 1.171 256 Y CA -2.714 55.299 58.100 -0.146 0.000 1.163 256 Y CB 1.643 39.897 38.460 -0.343 0.000 1.183 256 Y HN 0.281 nan 8.280 nan 0.000 0.424 257 P HA 0.269 nan 4.420 nan 0.000 0.282 257 P C -0.922 176.415 177.300 0.062 0.000 1.274 257 P CA -0.129 62.994 63.100 0.039 0.000 0.770 257 P CB 1.459 33.160 31.700 0.002 0.000 0.867 258 K N 1.834 122.351 120.400 0.194 0.000 2.109 258 K HA 0.571 4.859 4.320 -0.053 0.000 0.243 258 K C 0.389 177.078 176.600 0.148 0.000 1.006 258 K CA -0.873 55.549 56.287 0.226 0.000 0.917 258 K CB 0.778 33.428 32.500 0.250 0.000 1.081 258 K HN 0.463 nan 8.250 nan 0.000 0.468 259 A N 0.566 123.498 122.820 0.186 0.000 2.598 259 A HA 0.215 4.503 4.320 -0.053 0.000 0.239 259 A C 1.210 178.822 177.584 0.047 0.000 1.032 259 A CA 1.226 53.356 52.037 0.155 0.000 0.760 259 A CB -1.209 17.945 19.000 0.256 0.000 0.946 259 A HN 0.930 nan 8.150 nan 0.000 0.512 260 G N 0.774 109.591 108.800 0.028 0.000 2.184 260 G HA2 0.093 4.021 3.960 -0.053 0.000 0.264 260 G HA3 0.093 4.021 3.960 -0.053 0.000 0.264 260 G C 0.714 175.618 174.900 0.007 0.000 0.975 260 G CA 0.987 46.079 45.100 -0.013 0.000 0.642 260 G HN 2.224 nan 8.290 nan 0.000 0.536 261 A N -0.515 122.325 122.820 0.033 0.000 2.250 261 A HA 0.752 5.040 4.320 -0.053 0.000 0.283 261 A C 0.831 178.437 177.584 0.037 0.000 1.206 261 A CA 0.311 52.371 52.037 0.038 0.000 0.840 261 A CB 0.569 19.605 19.000 0.061 0.000 1.220 261 A HN 1.128 nan 8.150 nan 0.000 0.505 262 V N 2.022 121.960 119.914 0.040 0.000 2.446 262 V HA 0.011 4.099 4.120 -0.053 0.000 0.276 262 V C 0.630 176.758 176.094 0.056 0.000 1.030 262 V CA 0.228 62.552 62.300 0.041 0.000 1.033 262 V CB -0.660 31.189 31.823 0.044 0.000 0.993 262 V HN 0.826 nan 8.190 nan 0.000 0.477 263 N N 6.271 125.005 118.700 0.055 0.000 2.445 263 N HA 0.353 5.061 4.740 -0.053 0.000 0.264 263 N C -2.346 173.231 175.510 0.111 0.000 1.227 263 N CA -1.194 51.908 53.050 0.086 0.000 0.963 263 N CB 0.879 39.418 38.487 0.088 0.000 1.188 263 N HN 0.456 nan 8.380 nan 0.000 0.491 264 P HA 0.049 nan 4.420 nan 0.000 0.272 264 P C -0.725 176.711 177.300 0.226 0.000 1.230 264 P CA -0.131 63.102 63.100 0.223 0.000 0.788 264 P CB 0.613 32.490 31.700 0.295 0.000 0.949 265 T N -2.102 112.579 114.554 0.212 0.000 2.949 265 T HA 0.641 4.959 4.350 -0.053 0.000 0.287 265 T C -0.338 174.496 174.700 0.224 0.000 1.034 265 T CA -0.875 61.320 62.100 0.159 0.000 1.018 265 T CB 1.455 70.379 68.868 0.093 0.000 1.135 265 T HN 0.353 nan 8.240 nan 0.000 0.532 266 V N 0.002 120.023 119.914 0.179 0.000 2.971 266 V HA 0.742 4.831 4.120 -0.053 0.000 0.309 266 V C -1.696 174.492 176.094 0.157 0.000 1.130 266 V CA -0.862 61.504 62.300 0.110 0.000 0.964 266 V CB 2.173 34.068 31.823 0.120 0.000 1.029 266 V HN 1.038 nan 8.190 nan 0.000 0.427 267 K N 4.253 124.683 120.400 0.049 0.000 2.426 267 K HA 0.560 4.848 4.320 -0.053 0.000 0.251 267 K C -1.887 174.601 176.600 -0.186 0.000 0.941 267 K CA -0.475 55.789 56.287 -0.038 0.000 0.808 267 K CB 2.827 35.282 32.500 -0.075 0.000 1.265 267 K HN 0.548 nan 8.250 nan 0.000 0.432 268 F N 2.289 121.924 119.950 -0.526 0.000 2.469 268 F HA 0.576 5.071 4.527 -0.053 0.000 0.332 268 F C -1.335 173.903 175.800 -0.936 0.000 1.103 268 F CA -0.579 57.100 58.000 -0.535 0.000 0.979 268 F CB 0.778 39.603 39.000 -0.292 0.000 1.137 268 F HN 0.367 nan 8.300 nan 0.000 0.463 269 F N 3.904 123.220 119.950 -1.057 0.000 2.599 269 F HA 0.750 5.245 4.527 -0.053 0.000 0.311 269 F C -1.000 174.184 175.800 -1.026 0.000 1.076 269 F CA -1.156 56.288 58.000 -0.928 0.000 0.937 269 F CB 2.048 40.386 39.000 -1.103 0.000 1.282 269 F HN 0.130 nan 8.300 nan 0.000 0.460 270 V N 2.303 122.013 119.914 -0.340 0.000 2.789 270 V HA 0.768 4.856 4.120 -0.053 0.000 0.311 270 V C -1.040 175.152 176.094 0.164 0.000 1.073 270 V CA -0.857 61.343 62.300 -0.167 0.000 0.921 270 V CB 2.130 33.732 31.823 -0.369 0.000 1.009 270 V HN 0.567 nan 8.190 nan 0.000 0.426 271 V N 2.031 122.109 119.914 0.273 0.000 2.789 271 V HA 0.534 4.622 4.120 -0.053 0.000 0.311 271 V C -0.412 175.858 176.094 0.294 0.000 1.073 271 V CA -0.843 61.625 62.300 0.279 0.000 0.921 271 V CB 2.254 34.184 31.823 0.178 0.000 1.009 271 V HN 0.816 nan 8.190 nan 0.000 0.426 272 N N 2.278 121.082 118.700 0.174 0.000 2.645 272 N HA 0.140 4.848 4.740 -0.053 0.000 0.233 272 N C 1.227 176.682 175.510 -0.093 0.000 1.058 272 N CA 0.266 53.259 53.050 -0.095 0.000 0.942 272 N CB 1.407 39.825 38.487 -0.115 0.000 1.210 272 N HN 0.926 nan 8.380 nan 0.000 0.512 273 T N -0.886 113.628 114.554 -0.066 0.000 3.051 273 T HA -0.039 4.279 4.350 -0.053 0.000 0.269 273 T C 0.785 175.425 174.700 -0.100 0.000 1.127 273 T CA 0.736 62.818 62.100 -0.030 0.000 1.107 273 T CB 0.190 69.161 68.868 0.172 0.000 0.898 273 T HN 0.187 nan 8.240 nan 0.000 0.517 274 D N 2.098 122.416 120.400 -0.136 0.000 2.213 274 D HA 0.018 4.626 4.640 -0.053 0.000 0.205 274 D C 1.669 177.899 176.300 -0.117 0.000 0.961 274 D CA 1.092 55.015 54.000 -0.128 0.000 0.853 274 D CB -0.080 40.632 40.800 -0.148 0.000 0.967 274 D HN 0.636 nan 8.370 nan 0.000 0.496 275 S N -0.021 115.611 115.700 -0.114 0.000 2.506 275 S HA 0.302 4.740 4.470 -0.053 0.000 0.245 275 S C 0.537 175.084 174.600 -0.088 0.000 1.088 275 S CA -0.537 57.618 58.200 -0.076 0.000 1.099 275 S CB -0.302 62.876 63.200 -0.038 0.000 0.805 275 S HN 0.000 nan 8.310 nan 0.000 0.461 276 L N 1.189 122.301 121.223 -0.184 0.000 2.475 276 L HA 0.590 4.898 4.340 -0.053 0.000 0.253 276 L C 0.646 177.423 176.870 -0.155 0.000 1.198 276 L CA -0.278 54.401 54.840 -0.267 0.000 0.814 276 L CB 1.272 42.910 42.059 -0.701 0.000 1.134 276 L HN 0.370 nan 8.230 nan 0.000 0.478 277 S N -1.260 114.437 115.700 -0.005 0.000 2.618 277 S HA 0.363 4.801 4.470 -0.053 0.000 0.277 277 S C 0.365 175.188 174.600 0.372 0.000 1.138 277 S CA -0.522 57.779 58.200 0.168 0.000 0.844 277 S CB 1.978 65.242 63.200 0.107 0.000 1.127 277 S HN 0.558 nan 8.310 nan 0.000 0.474 278 S N 0.865 116.736 115.700 0.285 0.000 2.356 278 S HA -0.017 4.421 4.470 -0.053 0.000 0.219 278 S C 1.617 176.305 174.600 0.146 0.000 1.036 278 S CA 1.121 59.440 58.200 0.199 0.000 0.965 278 S CB -0.194 63.074 63.200 0.113 0.000 0.864 278 S HN 0.576 nan 8.310 nan 0.000 0.471 279 V N 1.370 121.355 119.914 0.119 0.000 2.992 279 V HA 0.150 4.238 4.120 -0.053 0.000 0.250 279 V C 0.271 176.420 176.094 0.092 0.000 1.090 279 V CA 0.943 63.299 62.300 0.093 0.000 1.101 279 V CB 0.052 31.913 31.823 0.063 0.000 0.743 279 V HN 0.346 nan 8.190 nan 0.000 0.468 280 T N 2.197 116.811 114.554 0.100 0.000 2.806 280 T HA 0.299 4.617 4.350 -0.053 0.000 0.290 280 T C -0.177 174.591 174.700 0.114 0.000 0.966 280 T CA -0.277 61.871 62.100 0.080 0.000 1.060 280 T CB 0.640 69.546 68.868 0.065 0.000 0.927 280 T HN 0.330 nan 8.240 nan 0.000 0.485 281 N N 2.263 121.016 118.700 0.088 0.000 2.458 281 N HA 0.332 5.040 4.740 -0.053 0.000 0.258 281 N C 0.170 175.756 175.510 0.127 0.000 1.219 281 N CA -0.148 52.984 53.050 0.137 0.000 0.902 281 N CB 0.385 38.890 38.487 0.029 0.000 1.076 281 N HN 0.796 nan 8.380 nan 0.000 0.455 282 A N 1.749 124.664 122.820 0.159 0.000 2.483 282 A HA 0.270 4.558 4.320 -0.053 0.000 0.238 282 A C 0.056 177.701 177.584 0.101 0.000 1.070 282 A CA 0.031 52.131 52.037 0.104 0.000 0.770 282 A CB -0.008 19.039 19.000 0.078 0.000 1.008 282 A HN 0.576 nan 8.150 nan 0.000 0.497 283 T N 2.604 117.217 114.554 0.098 0.000 2.801 283 T HA 0.404 4.722 4.350 -0.053 0.000 0.306 283 T C -0.038 174.750 174.700 0.147 0.000 1.020 283 T CA -0.214 61.953 62.100 0.111 0.000 0.948 283 T CB 0.558 69.493 68.868 0.113 0.000 0.962 283 T HN 0.521 nan 8.240 nan 0.000 0.465 284 S N 3.247 119.026 115.700 0.132 0.000 2.489 284 S HA 0.405 4.843 4.470 -0.053 0.000 0.277 284 S C 0.167 174.907 174.600 0.233 0.000 1.230 284 S CA -0.707 57.589 58.200 0.159 0.000 1.053 284 S CB 0.142 63.372 63.200 0.049 0.000 0.955 284 S HN 0.467 nan 8.310 nan 0.000 0.488 285 I N 3.010 123.743 120.570 0.271 0.000 2.315 285 I HA 0.237 4.375 4.170 -0.053 0.000 0.291 285 I C 0.444 176.691 176.117 0.216 0.000 1.006 285 I CA -0.089 61.385 61.300 0.290 0.000 1.265 285 I CB 1.164 39.408 38.000 0.407 0.000 1.387 285 I HN 0.591 nan 8.210 nan 0.000 0.475 286 Q N 6.230 126.147 119.800 0.196 0.000 2.288 286 Q HA 0.464 4.772 4.340 -0.053 0.000 0.258 286 Q C -0.877 175.074 176.000 -0.081 0.000 0.957 286 Q CA -0.262 55.482 55.803 -0.098 0.000 0.919 286 Q CB 0.756 29.438 28.738 -0.094 0.000 1.185 286 Q HN 0.567 nan 8.270 nan 0.000 0.408 287 I N 3.219 123.713 120.570 -0.127 0.000 2.385 287 I HA 0.249 4.387 4.170 -0.053 0.000 0.294 287 I C 0.182 176.267 176.117 -0.053 0.000 0.988 287 I CA -0.351 60.931 61.300 -0.030 0.000 1.265 287 I CB 1.879 39.887 38.000 0.014 0.000 1.388 287 I HN 0.599 nan 8.210 nan 0.000 0.480 288 T N 4.533 119.039 114.554 -0.080 0.000 2.945 288 T HA 0.604 4.922 4.350 -0.053 0.000 0.286 288 T C 0.012 174.514 174.700 -0.331 0.000 1.025 288 T CA -0.461 61.538 62.100 -0.168 0.000 1.039 288 T CB 1.662 70.441 68.868 -0.149 0.000 1.068 288 T HN 0.671 nan 8.240 nan 0.000 0.497 289 A N 2.897 125.323 122.820 -0.656 0.000 2.332 289 A HA 0.613 4.902 4.320 -0.053 0.000 0.258 289 A C -2.342 174.803 177.584 -0.732 0.000 1.087 289 A CA -1.370 49.925 52.037 -1.237 0.000 0.802 289 A CB -0.533 17.383 19.000 -1.807 0.000 1.042 289 A HN 0.516 nan 8.150 nan 0.000 0.489 290 P HA 0.125 nan 4.420 nan 0.000 0.266 290 P C 0.823 177.921 177.300 -0.338 0.000 1.195 290 P CA 0.754 63.623 63.100 -0.386 0.000 0.768 290 P CB 0.579 32.102 31.700 -0.295 0.000 0.838 291 A N 3.133 125.822 122.820 -0.218 0.000 1.997 291 A HA -0.240 4.048 4.320 -0.053 0.000 0.221 291 A C 2.082 179.572 177.584 -0.158 0.000 1.172 291 A CA 2.476 54.410 52.037 -0.172 0.000 0.645 291 A CB -1.657 17.274 19.000 -0.115 0.000 0.813 291 A HN 0.635 nan 8.150 nan 0.000 0.454 292 S N -1.684 113.940 115.700 -0.127 0.000 2.515 292 S HA -0.008 4.430 4.470 -0.053 0.000 0.231 292 S C 1.724 176.272 174.600 -0.086 0.000 0.987 292 S CA 1.221 59.380 58.200 -0.069 0.000 0.936 292 S CB -0.242 62.983 63.200 0.042 0.000 0.766 292 S HN 0.396 nan 8.310 nan 0.000 0.528 293 M N 0.912 120.380 119.600 -0.220 0.000 2.299 293 M HA 0.265 4.713 4.480 -0.053 0.000 0.264 293 M C 1.565 177.661 176.300 -0.339 0.000 1.095 293 M CA 0.733 55.827 55.300 -0.343 0.000 1.165 293 M CB -1.267 30.900 32.600 -0.722 0.000 1.349 293 M HN 0.289 nan 8.290 nan 0.000 0.446 294 L N 0.700 121.702 121.223 -0.368 0.000 2.447 294 L HA -0.118 4.190 4.340 -0.053 0.000 0.225 294 L C 2.302 179.142 176.870 -0.049 0.000 1.148 294 L CA 1.219 55.957 54.840 -0.170 0.000 0.808 294 L CB -1.741 40.216 42.059 -0.170 0.000 0.928 294 L HN 0.329 nan 8.230 nan 0.000 0.448 295 I N -1.303 119.226 120.570 -0.068 0.000 2.567 295 I HA -0.066 4.073 4.170 -0.053 0.000 0.257 295 I C 1.063 177.170 176.117 -0.016 0.000 1.184 295 I CA 0.837 62.110 61.300 -0.046 0.000 1.451 295 I CB 0.163 38.124 38.000 -0.064 0.000 1.089 295 I HN 0.305 nan 8.210 nan 0.000 0.441 296 G N -0.457 108.355 108.800 0.020 0.000 2.706 296 G HA2 0.199 4.127 3.960 -0.053 0.000 0.307 296 G HA3 0.199 4.127 3.960 -0.053 0.000 0.307 296 G C -1.678 173.276 174.900 0.089 0.000 1.307 296 G CA -0.555 44.563 45.100 0.031 0.000 0.790 296 G HN 0.034 nan 8.290 nan 0.000 0.503 297 D N 0.921 121.310 120.400 -0.018 0.000 2.458 297 D HA 0.481 5.089 4.640 -0.053 0.000 0.243 297 D C 0.235 176.436 176.300 -0.165 0.000 1.146 297 D CA 0.885 54.796 54.000 -0.148 0.000 0.877 297 D CB 0.663 41.360 40.800 -0.172 0.000 1.176 297 D HN 0.600 nan 8.370 nan 0.000 0.461 298 H N -1.161 117.764 119.070 -0.241 0.000 2.990 298 H HA 0.617 5.141 4.556 -0.053 0.000 0.343 298 H C -1.410 173.781 175.328 -0.229 0.000 1.270 298 H CA -0.993 54.917 56.048 -0.230 0.000 1.118 298 H CB 0.488 30.254 29.762 0.006 0.000 1.861 298 H HN 0.260 nan 8.280 nan 0.000 0.544 299 Y N -0.327 120.225 120.300 0.420 0.000 2.630 299 Y HA 0.407 4.925 4.550 -0.053 0.000 0.337 299 Y C -0.539 175.677 175.900 0.525 0.000 1.051 299 Y CA -1.435 56.918 58.100 0.422 0.000 1.121 299 Y CB 1.764 40.307 38.460 0.137 0.000 1.299 299 Y HN 0.525 nan 8.280 nan 0.000 0.498 300 L N 2.699 124.263 121.223 0.568 0.000 2.265 300 L HA 0.282 4.590 4.340 -0.053 0.000 0.289 300 L C -0.060 176.984 176.870 0.290 0.000 1.033 300 L CA -0.334 54.498 54.840 -0.012 0.000 0.814 300 L CB 0.578 42.523 42.059 -0.189 0.000 1.203 300 L HN 1.105 nan 8.230 nan 0.000 0.423 301 C N 1.372 120.736 119.300 0.106 0.000 2.689 301 C HA 0.340 4.768 4.460 -0.053 0.000 0.336 301 C C 0.619 175.677 174.990 0.113 0.000 1.304 301 C CA -0.397 58.757 59.018 0.226 0.000 1.860 301 C CB 0.007 27.820 27.740 0.123 0.000 2.405 301 C HN 0.769 nan 8.230 nan 0.000 0.557 302 D N 0.419 120.711 120.400 -0.180 0.000 2.879 302 D HA 0.487 5.095 4.640 -0.053 0.000 0.236 302 D C -1.673 174.260 176.300 -0.611 0.000 1.171 302 D CA 0.047 53.849 54.000 -0.330 0.000 0.868 302 D CB 2.822 43.482 40.800 -0.234 0.000 1.598 302 D HN 0.072 nan 8.370 nan 0.000 0.497 303 V N 3.144 122.589 119.914 -0.782 0.000 2.385 303 V HA 0.328 4.416 4.120 -0.053 0.000 0.277 303 V C -0.359 175.266 176.094 -0.781 0.000 1.012 303 V CA -0.524 61.133 62.300 -1.072 0.000 0.832 303 V CB 1.454 32.102 31.823 -1.959 0.000 1.028 303 V HN 0.569 nan 8.190 nan 0.000 0.436 304 T N 3.083 117.330 114.554 -0.512 0.000 2.833 304 T HA 0.357 4.676 4.350 -0.053 0.000 0.297 304 T C -0.466 174.109 174.700 -0.208 0.000 1.015 304 T CA -0.365 61.597 62.100 -0.231 0.000 0.963 304 T CB 0.587 69.409 68.868 -0.076 0.000 0.955 304 T HN 0.527 nan 8.240 nan 0.000 0.449 305 W N 2.104 123.316 121.300 -0.147 0.000 2.264 305 W HA 0.395 5.023 4.660 -0.052 0.000 0.331 305 W C 1.152 177.533 176.519 -0.230 0.000 1.364 305 W CA -0.376 56.885 57.345 -0.141 0.000 1.253 305 W CB 0.496 29.952 29.460 -0.006 0.000 1.215 305 W HN 0.825 nan 8.180 nan 0.000 0.561 306 A N 2.220 124.934 122.820 -0.176 0.000 1.993 306 A HA 0.170 4.458 4.320 -0.053 0.000 0.207 306 A C 0.937 178.428 177.584 -0.155 0.000 1.224 306 A CA 1.415 53.095 52.037 -0.595 0.000 0.749 306 A CB -0.241 17.845 19.000 -1.522 0.000 0.884 306 A HN 0.525 nan 8.150 nan 0.000 0.467 307 T N -5.370 109.199 114.554 0.026 0.000 2.626 307 T HA 0.329 4.647 4.350 -0.053 0.000 0.279 307 T C 0.286 175.081 174.700 0.157 0.000 0.983 307 T CA -0.275 61.878 62.100 0.089 0.000 1.059 307 T CB 0.582 69.495 68.868 0.075 0.000 1.396 307 T HN -0.032 nan 8.240 nan 0.000 0.519 308 Q N 0.341 120.206 119.800 0.108 0.000 2.224 308 Q HA 0.043 4.351 4.340 -0.053 0.000 0.203 308 Q C 1.062 177.177 176.000 0.191 0.000 0.970 308 Q CA 1.450 57.301 55.803 0.080 0.000 0.865 308 Q CB -0.066 28.718 28.738 0.077 0.000 0.922 308 Q HN 0.816 nan 8.270 nan 0.000 0.445 309 E N -0.035 120.315 120.200 0.250 0.000 2.660 309 E HA 0.171 4.489 4.350 -0.053 0.000 0.216 309 E C -0.043 176.795 176.600 0.395 0.000 0.986 309 E CA -0.192 56.367 56.400 0.265 0.000 1.037 309 E CB 1.027 30.808 29.700 0.134 0.000 1.041 309 E HN -0.012 nan 8.360 nan 0.000 0.480 310 R N 1.769 122.529 120.500 0.434 0.000 2.476 310 R HA 0.445 4.754 4.340 -0.053 0.000 0.305 310 R C -1.275 175.107 176.300 0.136 0.000 0.965 310 R CA -0.412 55.846 56.100 0.263 0.000 0.867 310 R CB 0.829 31.164 30.300 0.058 0.000 1.176 310 R HN -0.046 nan 8.270 nan 0.000 0.447 311 I N 2.067 122.560 120.570 -0.128 0.000 2.404 311 I HA 0.250 4.388 4.170 -0.053 0.000 0.293 311 I C 0.154 176.001 176.117 -0.450 0.000 0.992 311 I CA -0.652 60.297 61.300 -0.585 0.000 1.149 311 I CB 2.090 39.430 38.000 -1.100 0.000 1.315 311 I HN 0.432 nan 8.210 nan 0.000 0.446 312 S N 6.606 122.029 115.700 -0.460 0.000 2.475 312 S HA 0.632 5.071 4.470 -0.053 0.000 0.281 312 S C -0.530 173.755 174.600 -0.525 0.000 1.198 312 S CA -0.534 57.454 58.200 -0.354 0.000 1.063 312 S CB 0.325 63.436 63.200 -0.148 0.000 0.972 312 S HN 0.379 nan 8.310 nan 0.000 0.486 313 L N 4.345 125.274 121.223 -0.491 0.000 2.365 313 L HA 0.539 4.848 4.340 -0.053 0.000 0.273 313 L C -0.142 176.449 176.870 -0.465 0.000 1.000 313 L CA -0.636 53.811 54.840 -0.655 0.000 0.819 313 L CB 2.025 43.672 42.059 -0.687 0.000 1.284 313 L HN 0.574 nan 8.230 nan 0.000 0.418 314 Q N 1.583 121.048 119.800 -0.559 0.000 2.337 314 Q HA 0.483 4.792 4.340 -0.053 0.000 0.266 314 Q C -1.827 173.955 176.000 -0.363 0.000 1.023 314 Q CA -0.549 55.059 55.803 -0.324 0.000 0.829 314 Q CB 2.607 31.210 28.738 -0.224 0.000 1.306 314 Q HN 0.433 nan 8.270 nan 0.000 0.449 315 W N 2.554 123.816 121.300 -0.063 0.000 2.962 315 W HA 0.664 5.293 4.660 -0.052 0.000 0.341 315 W C -1.248 175.306 176.519 0.059 0.000 1.155 315 W CA -0.640 56.715 57.345 0.018 0.000 1.165 315 W CB 1.362 30.797 29.460 -0.041 0.000 1.435 315 W HN 0.398 nan 8.180 nan 0.000 0.546 316 L N 2.198 123.671 121.223 0.416 0.000 2.505 316 L HA 0.537 4.845 4.340 -0.053 0.000 0.266 316 L C -0.456 176.603 176.870 0.314 0.000 0.954 316 L CA -0.978 54.058 54.840 0.328 0.000 0.852 316 L CB 1.434 43.696 42.059 0.338 0.000 1.282 316 L HN 0.409 nan 8.230 nan 0.000 0.403 317 R N 2.828 123.474 120.500 0.243 0.000 2.543 317 R HA 0.233 4.541 4.340 -0.053 0.000 0.277 317 R C 1.002 177.349 176.300 0.079 0.000 1.074 317 R CA -0.202 55.987 56.100 0.148 0.000 1.076 317 R CB 0.680 31.075 30.300 0.158 0.000 0.993 317 R HN 0.652 nan 8.270 nan 0.000 0.459 318 R N 1.855 122.301 120.500 -0.090 0.000 2.170 318 R HA -0.130 4.178 4.340 -0.053 0.000 0.242 318 R C 0.079 176.414 176.300 0.059 0.000 1.145 318 R CA 1.252 57.302 56.100 -0.084 0.000 0.984 318 R CB -0.071 30.125 30.300 -0.172 0.000 0.869 318 R HN 0.425 nan 8.270 nan 0.000 0.455 319 I N 1.928 122.527 120.570 0.048 0.000 2.322 319 I HA 0.054 4.192 4.170 -0.053 0.000 0.292 319 I C 0.128 176.305 176.117 0.101 0.000 1.060 319 I CA 0.361 61.698 61.300 0.062 0.000 1.309 319 I CB 1.476 39.499 38.000 0.039 0.000 1.415 319 I HN 0.017 nan 8.210 nan 0.000 0.492 320 Q N 4.745 124.606 119.800 0.101 0.000 2.620 320 Q HA 0.114 4.422 4.340 -0.053 0.000 0.333 320 Q C 0.216 176.297 176.000 0.135 0.000 1.017 320 Q CA -0.067 55.815 55.803 0.131 0.000 0.962 320 Q CB -0.302 28.491 28.738 0.090 0.000 1.297 320 Q HN 0.740 nan 8.270 nan 0.000 0.419 321 N N -0.719 118.061 118.700 0.133 0.000 2.205 321 N HA 0.013 4.721 4.740 -0.053 0.000 0.201 321 N C -0.787 174.834 175.510 0.186 0.000 1.128 321 N CA -0.141 52.982 53.050 0.122 0.000 0.867 321 N CB 0.407 38.940 38.487 0.077 0.000 0.996 321 N HN 0.231 nan 8.380 nan 0.000 0.503 322 Y N 0.984 121.314 120.300 0.050 0.000 2.441 322 Y HA 0.582 5.100 4.550 -0.053 0.000 0.334 322 Y C -1.465 174.475 175.900 0.068 0.000 1.061 322 Y CA -0.998 57.130 58.100 0.047 0.000 1.032 322 Y CB 1.563 40.041 38.460 0.030 0.000 1.266 322 Y HN 0.119 nan 8.280 nan 0.000 0.441 323 S N 4.060 119.574 115.700 -0.310 0.000 2.556 323 S HA 0.870 5.308 4.470 -0.053 0.000 0.271 323 S C -2.128 172.300 174.600 -0.286 0.000 1.135 323 S CA -0.831 57.277 58.200 -0.154 0.000 0.858 323 S CB 1.807 64.995 63.200 -0.020 0.000 1.114 323 S HN 0.539 nan 8.310 nan 0.000 0.468 324 V N 2.981 122.839 119.914 -0.094 0.000 2.577 324 V HA 0.512 4.600 4.120 -0.053 0.000 0.303 324 V C -0.340 175.771 176.094 0.030 0.000 1.042 324 V CA -0.606 61.650 62.300 -0.073 0.000 0.872 324 V CB 1.798 33.592 31.823 -0.047 0.000 0.998 324 V HN 1.032 nan 8.190 nan 0.000 0.423 325 M N 3.409 123.001 119.600 -0.012 0.000 2.314 325 M HA 0.523 4.971 4.480 -0.053 0.000 0.342 325 M C -1.296 175.007 176.300 0.005 0.000 1.171 325 M CA -0.117 55.166 55.300 -0.028 0.000 1.098 325 M CB 1.259 33.802 32.600 -0.095 0.000 1.559 325 M HN 0.582 nan 8.290 nan 0.000 0.459 326 D N 4.133 124.520 120.400 -0.021 0.000 2.757 326 D HA 0.414 5.022 4.640 -0.053 0.000 0.249 326 D C -1.306 174.950 176.300 -0.073 0.000 1.168 326 D CA -0.213 53.773 54.000 -0.024 0.000 0.870 326 D CB 1.684 42.490 40.800 0.009 0.000 1.411 326 D HN 0.425 nan 8.370 nan 0.000 0.525 327 I N 2.356 122.913 120.570 -0.021 0.000 2.315 327 I HA 0.252 4.390 4.170 -0.053 0.000 0.291 327 I C -0.217 175.895 176.117 -0.008 0.000 1.006 327 I CA -0.257 61.032 61.300 -0.019 0.000 1.265 327 I CB 0.872 38.914 38.000 0.069 0.000 1.387 327 I HN 0.272 nan 8.210 nan 0.000 0.475 328 c N 4.974 123.562 118.600 -0.019 0.000 2.321 328 c HA 0.411 4.949 4.570 -0.053 0.000 0.323 328 c C -0.288 173.966 174.090 0.274 0.000 1.191 328 c CA -1.054 55.331 56.329 0.095 0.000 1.455 328 c CB -0.136 42.404 42.510 0.049 0.000 2.083 328 c HN 0.619 nan 8.230 nan 0.000 0.442 329 D N 1.062 121.578 120.400 0.194 0.000 2.264 329 D HA 0.148 4.757 4.640 -0.053 0.000 0.249 329 D C -0.415 175.863 176.300 -0.036 0.000 1.070 329 D CA -0.030 54.051 54.000 0.135 0.000 0.912 329 D CB 1.115 41.940 40.800 0.042 0.000 1.193 329 D HN 0.612 nan 8.370 nan 0.000 0.427 330 Y N 1.179 121.123 120.300 -0.594 0.000 2.335 330 Y HA 0.089 4.608 4.550 -0.052 0.000 0.331 330 Y C 0.094 175.679 175.900 -0.525 0.000 1.094 330 Y CA -0.494 56.897 58.100 -1.181 0.000 1.253 330 Y CB 0.803 38.306 38.460 -1.595 0.000 1.203 330 Y HN 0.129 nan 8.280 nan 0.000 0.508 331 D N 5.910 125.706 120.400 -1.007 0.000 2.483 331 D HA 0.049 4.657 4.640 -0.053 0.000 0.220 331 D C 1.076 176.874 176.300 -0.837 0.000 1.173 331 D CA 0.309 53.902 54.000 -0.677 0.000 0.964 331 D CB 0.098 40.645 40.800 -0.422 0.000 1.046 331 D HN 0.911 nan 8.370 nan 0.000 0.517 332 E N 1.562 121.445 120.200 -0.529 0.000 2.340 332 E HA -0.406 3.912 4.350 -0.053 0.000 0.246 332 E C 1.482 177.975 176.600 -0.178 0.000 1.077 332 E CA 2.795 59.077 56.400 -0.197 0.000 1.060 332 E CB -0.001 29.670 29.700 -0.048 0.000 0.935 332 E HN 0.542 nan 8.360 nan 0.000 0.495 333 S N -0.523 115.083 115.700 -0.157 0.000 2.345 333 S HA -0.127 4.311 4.470 -0.053 0.000 0.219 333 S C 2.042 176.578 174.600 -0.106 0.000 1.031 333 S CA 1.605 59.749 58.200 -0.093 0.000 0.984 333 S CB -0.277 62.882 63.200 -0.067 0.000 0.874 333 S HN 0.346 nan 8.310 nan 0.000 0.451 334 S N 0.447 116.051 115.700 -0.160 0.000 2.593 334 S HA 0.374 4.813 4.470 -0.053 0.000 0.217 334 S C 1.515 176.034 174.600 -0.135 0.000 0.966 334 S CA 0.534 58.662 58.200 -0.120 0.000 0.914 334 S CB -0.942 62.193 63.200 -0.108 0.000 0.776 334 S HN 1.605 nan 8.310 nan 0.000 0.523 335 G N 1.576 110.228 108.800 -0.247 0.000 2.296 335 G HA2 -0.264 3.664 3.960 -0.053 0.000 0.282 335 G HA3 -0.264 3.664 3.960 -0.053 0.000 0.282 335 G C 0.282 175.145 174.900 -0.062 0.000 1.014 335 G CA 0.552 45.575 45.100 -0.128 0.000 0.812 335 G HN 0.514 nan 8.290 nan 0.000 0.508 336 R N -2.077 118.246 120.500 -0.294 0.000 3.024 336 R HA 0.748 5.056 4.340 -0.053 0.000 0.224 336 R C -0.889 175.249 176.300 -0.271 0.000 1.490 336 R CA -0.841 55.216 56.100 -0.072 0.000 1.057 336 R CB 0.662 30.946 30.300 -0.026 0.000 1.723 336 R HN 0.213 nan 8.270 nan 0.000 0.520 337 W N 0.525 121.823 121.300 -0.003 0.000 2.884 337 W HA 0.375 5.003 4.660 -0.053 0.000 0.336 337 W C -0.705 175.797 176.519 -0.029 0.000 1.038 337 W CA -0.473 56.875 57.345 0.005 0.000 1.247 337 W CB 1.229 30.712 29.460 0.038 0.000 1.351 337 W HN 0.197 nan 8.180 nan 0.000 0.446 338 N N 2.268 121.050 118.700 0.137 0.000 2.372 338 N HA 0.447 5.155 4.740 -0.053 0.000 0.291 338 N C -1.195 174.351 175.510 0.061 0.000 1.024 338 N CA -0.490 52.600 53.050 0.066 0.000 0.873 338 N CB 1.718 40.207 38.487 0.003 0.000 1.206 338 N HN 0.242 nan 8.380 nan 0.000 0.486 339 c N 3.022 121.638 118.600 0.027 0.000 2.288 339 c HA 0.313 4.851 4.570 -0.053 0.000 0.328 339 c C 0.189 174.269 174.090 -0.017 0.000 1.071 339 c CA -0.979 55.352 56.329 0.002 0.000 1.594 339 c CB -1.637 40.861 42.510 -0.019 0.000 1.700 339 c HN 0.491 nan 8.230 nan 0.000 0.436 340 L N 2.352 123.568 121.223 -0.012 0.000 2.628 340 L HA -0.033 4.275 4.340 -0.053 0.000 0.274 340 L C 1.585 178.434 176.870 -0.036 0.000 1.209 340 L CA 0.623 55.449 54.840 -0.022 0.000 0.930 340 L CB -0.025 42.026 42.059 -0.015 0.000 1.183 340 L HN 0.548 nan 8.230 nan 0.000 0.492 341 V N 3.562 123.450 119.914 -0.044 0.000 2.594 341 V HA -0.288 3.800 4.120 -0.053 0.000 0.253 341 V C 2.209 178.264 176.094 -0.065 0.000 1.069 341 V CA 1.735 64.002 62.300 -0.054 0.000 1.082 341 V CB -1.002 30.791 31.823 -0.050 0.000 0.680 341 V HN 1.002 nan 8.190 nan 0.000 0.469 342 A N -0.144 122.641 122.820 -0.058 0.000 2.067 342 A HA -0.142 4.147 4.320 -0.053 0.000 0.219 342 A C 2.371 179.889 177.584 -0.109 0.000 1.158 342 A CA 1.316 53.311 52.037 -0.070 0.000 0.661 342 A CB -0.385 18.587 19.000 -0.048 0.000 0.801 342 A HN 0.525 nan 8.150 nan 0.000 0.452 343 R N -0.547 119.896 120.500 -0.095 0.000 2.254 343 R HA 0.086 4.394 4.340 -0.053 0.000 0.195 343 R C 0.170 176.339 176.300 -0.218 0.000 0.957 343 R CA -0.103 55.928 56.100 -0.115 0.000 1.024 343 R CB 0.048 30.351 30.300 0.005 0.000 0.952 343 R HN 0.609 nan 8.270 nan 0.000 0.484 344 Q N 0.955 120.662 119.800 -0.154 0.000 2.269 344 Q HA -0.080 4.228 4.340 -0.053 0.000 0.300 344 Q C -0.879 174.988 176.000 -0.221 0.000 1.070 344 Q CA 0.916 56.647 55.803 -0.120 0.000 0.957 344 Q CB 0.335 29.023 28.738 -0.083 0.000 1.131 344 Q HN 0.271 nan 8.270 nan 0.000 0.377 345 H N 2.100 121.163 119.070 -0.012 0.000 2.638 345 H HA 0.323 4.847 4.556 -0.053 0.000 0.303 345 H C -0.631 174.661 175.328 -0.060 0.000 1.034 345 H CA -0.429 55.618 56.048 -0.001 0.000 1.225 345 H CB 0.588 30.366 29.762 0.027 0.000 1.394 345 H HN 0.462 nan 8.280 nan 0.000 0.477 346 I N 2.582 123.161 120.570 0.016 0.000 2.428 346 I HA 0.115 4.253 4.170 -0.053 0.000 0.289 346 I C 0.227 176.302 176.117 -0.069 0.000 1.019 346 I CA 0.239 61.468 61.300 -0.118 0.000 1.351 346 I CB 0.808 38.716 38.000 -0.153 0.000 1.412 346 I HN 0.598 nan 8.210 nan 0.000 0.513 347 E N 8.011 128.122 120.200 -0.149 0.000 2.256 347 E HA 0.619 4.938 4.350 -0.053 0.000 0.268 347 E C -1.447 175.089 176.600 -0.106 0.000 0.877 347 E CA -0.784 55.578 56.400 -0.064 0.000 0.757 347 E CB 1.807 31.491 29.700 -0.027 0.000 1.183 347 E HN 0.582 nan 8.360 nan 0.000 0.418 348 M N 2.936 122.523 119.600 -0.020 0.000 2.520 348 M HA 0.383 4.831 4.480 -0.053 0.000 0.280 348 M C -1.946 174.380 176.300 0.044 0.000 1.232 348 M CA -0.502 54.815 55.300 0.027 0.000 0.892 348 M CB 2.402 35.053 32.600 0.085 0.000 1.728 348 M HN 0.442 nan 8.290 nan 0.000 0.475 349 S N 0.716 116.443 115.700 0.046 0.000 2.532 349 S HA 0.478 4.916 4.470 -0.053 0.000 0.299 349 S C 0.028 174.629 174.600 0.001 0.000 1.105 349 S CA -0.241 57.959 58.200 -0.001 0.000 1.018 349 S CB 1.946 65.103 63.200 -0.072 0.000 1.021 349 S HN 0.859 nan 8.310 nan 0.000 0.483 350 T N 1.784 116.335 114.554 -0.005 0.000 3.040 350 T HA 0.081 4.399 4.350 -0.053 0.000 0.252 350 T C 1.353 176.038 174.700 -0.024 0.000 1.064 350 T CA 1.378 63.477 62.100 -0.001 0.000 1.110 350 T CB -0.219 68.654 68.868 0.010 0.000 0.921 350 T HN 0.765 nan 8.240 nan 0.000 0.480 351 T N -1.820 112.708 114.554 -0.043 0.000 3.044 351 T HA 0.623 4.941 4.350 -0.053 0.000 0.260 351 T C 0.931 175.478 174.700 -0.255 0.000 1.019 351 T CA 0.229 62.301 62.100 -0.046 0.000 0.921 351 T CB 0.901 69.803 68.868 0.057 0.000 1.053 351 T HN 0.417 nan 8.240 nan 0.000 0.533 352 G N 0.853 109.371 108.800 -0.469 0.000 2.704 352 G HA2 0.477 4.405 3.960 -0.053 0.000 0.118 352 G HA3 0.477 4.405 3.960 -0.053 0.000 0.118 352 G C -1.766 172.926 174.900 -0.346 0.000 1.197 352 G CA -0.481 44.177 45.100 -0.736 0.000 1.152 352 G HN 0.479 nan 8.290 nan 0.000 0.571 353 W N 0.154 121.219 121.300 -0.392 0.000 2.671 353 W HA 0.787 5.415 4.660 -0.053 0.000 0.360 353 W C -0.486 175.979 176.519 -0.090 0.000 1.128 353 W CA -1.414 55.815 57.345 -0.194 0.000 1.184 353 W CB 1.043 30.359 29.460 -0.240 0.000 1.415 353 W HN 0.295 nan 8.180 nan 0.000 0.604 354 V N 3.231 123.239 119.914 0.156 0.000 2.432 354 V HA 0.699 4.787 4.120 -0.053 0.000 0.275 354 V C 0.826 177.015 176.094 0.159 0.000 1.043 354 V CA 0.296 62.648 62.300 0.087 0.000 0.925 354 V CB -0.059 31.813 31.823 0.082 0.000 0.985 354 V HN 1.334 nan 8.190 nan 0.000 0.466 355 G N 4.915 113.770 108.800 0.091 0.000 2.846 355 G HA2 -0.204 3.724 3.960 -0.053 0.000 0.660 355 G HA3 -0.204 3.724 3.960 -0.053 0.000 0.660 355 G C 0.377 175.395 174.900 0.196 0.000 1.464 355 G CA 0.233 45.414 45.100 0.135 0.000 0.891 355 G HN 0.687 nan 8.290 nan 0.000 0.552 356 R N -0.385 120.219 120.500 0.173 0.000 2.070 356 R HA 0.039 4.347 4.340 -0.053 0.000 0.233 356 R C 1.922 178.180 176.300 -0.071 0.000 1.137 356 R CA 2.213 58.365 56.100 0.086 0.000 0.945 356 R CB -0.127 30.221 30.300 0.081 0.000 0.845 356 R HN 0.488 nan 8.270 nan 0.000 0.430 357 F N -0.417 119.693 119.950 0.265 0.000 2.706 357 F HA 0.284 4.780 4.527 -0.052 0.000 0.313 357 F C 0.074 175.934 175.800 0.100 0.000 1.096 357 F CA -0.511 57.592 58.000 0.171 0.000 1.219 357 F CB 0.725 39.827 39.000 0.170 0.000 1.051 357 F HN -0.050 nan 8.300 nan 0.000 0.568 358 R N -1.918 118.743 120.500 0.269 0.000 3.429 358 R HA 0.246 4.554 4.340 -0.053 0.000 0.277 358 R C -3.476 172.923 176.300 0.164 0.000 0.978 358 R CA -1.640 54.567 56.100 0.177 0.000 0.891 358 R CB -0.516 29.875 30.300 0.152 0.000 1.299 358 R HN -0.352 nan 8.270 nan 0.000 0.541 359 P HA -0.028 nan 4.420 nan 0.000 0.264 359 P C -0.214 177.131 177.300 0.076 0.000 1.183 359 P CA 0.185 63.332 63.100 0.079 0.000 0.763 359 P CB 0.641 32.363 31.700 0.037 0.000 0.807 360 S N 1.761 117.508 115.700 0.077 0.000 2.584 360 S HA 0.118 4.556 4.470 -0.053 0.000 0.270 360 S C 0.196 174.819 174.600 0.038 0.000 1.346 360 S CA -0.745 57.510 58.200 0.091 0.000 1.018 360 S CB 0.269 63.539 63.200 0.117 0.000 0.899 360 S HN 0.566 nan 8.310 nan 0.000 0.542 361 E N 1.151 121.392 120.200 0.069 0.000 2.366 361 E HA 0.420 4.738 4.350 -0.053 0.000 0.266 361 E C -2.662 173.956 176.600 0.031 0.000 1.051 361 E CA -2.040 54.365 56.400 0.009 0.000 0.884 361 E CB 0.066 29.785 29.700 0.032 0.000 1.006 361 E HN 0.421 nan 8.360 nan 0.000 0.417 362 P HA 0.244 nan 4.420 nan 0.000 0.292 362 P C -1.393 175.850 177.300 -0.095 0.000 1.283 362 P CA -0.586 62.402 63.100 -0.186 0.000 0.835 362 P CB 0.779 32.036 31.700 -0.738 0.000 1.017 363 H N 1.457 120.509 119.070 -0.030 0.000 2.551 363 H HA 0.443 4.967 4.556 -0.053 0.000 0.321 363 H C -0.523 174.878 175.328 0.123 0.000 1.028 363 H CA -0.079 56.033 56.048 0.106 0.000 1.215 363 H CB 0.115 29.980 29.762 0.172 0.000 1.414 363 H HN 0.248 nan 8.280 nan 0.000 0.480 364 F N 1.438 121.557 119.950 0.282 0.000 2.399 364 F HA 0.249 4.744 4.527 -0.053 0.000 0.334 364 F C 0.997 176.963 175.800 0.277 0.000 1.097 364 F CA -0.802 57.366 58.000 0.280 0.000 1.076 364 F CB 1.254 40.353 39.000 0.165 0.000 1.162 364 F HN 0.433 nan 8.300 nan 0.000 0.495 365 T N 0.916 115.764 114.554 0.490 0.000 2.860 365 T HA 0.088 4.407 4.350 -0.053 0.000 0.299 365 T C 1.101 175.978 174.700 0.296 0.000 1.045 365 T CA -0.794 61.523 62.100 0.361 0.000 1.071 365 T CB 0.887 69.954 68.868 0.332 0.000 0.985 365 T HN 0.571 nan 8.240 nan 0.000 0.537 366 L N 1.564 122.917 121.223 0.216 0.000 2.051 366 L HA -0.134 4.175 4.340 -0.053 0.000 0.214 366 L C 2.089 179.049 176.870 0.151 0.000 1.076 366 L CA 2.455 57.394 54.840 0.165 0.000 0.758 366 L CB -1.097 41.038 42.059 0.128 0.000 0.890 366 L HN 0.963 nan 8.230 nan 0.000 0.433 367 D N -1.640 118.854 120.400 0.156 0.000 2.347 367 D HA 0.069 4.677 4.640 -0.053 0.000 0.215 367 D C 1.645 178.032 176.300 0.145 0.000 0.976 367 D CA 0.813 54.893 54.000 0.133 0.000 0.884 367 D CB -0.520 40.353 40.800 0.121 0.000 0.915 367 D HN 0.419 nan 8.370 nan 0.000 0.526 368 G N 0.464 109.386 108.800 0.204 0.000 2.155 368 G HA2 -0.336 3.593 3.960 -0.053 0.000 0.257 368 G HA3 -0.336 3.593 3.960 -0.053 0.000 0.257 368 G C 0.705 175.759 174.900 0.257 0.000 0.983 368 G CA 0.396 45.620 45.100 0.206 0.000 0.676 368 G HN 0.386 nan 8.290 nan 0.000 0.528 369 N N 0.300 119.147 118.700 0.244 0.000 2.336 369 N HA 0.268 4.976 4.740 -0.053 0.000 0.189 369 N C 0.688 176.327 175.510 0.214 0.000 1.113 369 N CA 0.986 54.160 53.050 0.206 0.000 0.858 369 N CB 0.570 39.138 38.487 0.135 0.000 0.970 369 N HN 1.014 nan 8.380 nan 0.000 0.471 370 S N -0.623 115.256 115.700 0.298 0.000 2.567 370 S HA 0.717 5.155 4.470 -0.053 0.000 0.270 370 S C -0.995 173.717 174.600 0.186 0.000 1.152 370 S CA -1.114 57.153 58.200 0.112 0.000 0.835 370 S CB 1.325 64.474 63.200 -0.086 0.000 1.115 370 S HN 0.131 nan 8.310 nan 0.000 0.459 371 F N -1.554 118.232 119.950 -0.273 0.000 2.715 371 F HA 0.892 5.387 4.527 -0.053 0.000 0.318 371 F C -1.908 173.676 175.800 -0.360 0.000 1.141 371 F CA -1.527 56.234 58.000 -0.399 0.000 0.950 371 F CB 0.634 39.005 39.000 -1.049 0.000 1.374 371 F HN 0.625 nan 8.300 nan 0.000 0.477 372 Y N 0.498 120.904 120.300 0.176 0.000 2.524 372 Y HA 0.718 5.237 4.550 -0.053 0.000 0.344 372 Y C -0.360 175.652 175.900 0.187 0.000 1.012 372 Y CA -0.966 57.224 58.100 0.151 0.000 1.068 372 Y CB 2.423 40.934 38.460 0.084 0.000 1.249 372 Y HN 0.628 nan 8.280 nan 0.000 0.468 373 K N 2.258 122.841 120.400 0.305 0.000 2.572 373 K HA 0.443 4.731 4.320 -0.053 0.000 0.263 373 K C -1.733 174.971 176.600 0.173 0.000 0.932 373 K CA -0.553 55.862 56.287 0.214 0.000 0.838 373 K CB 1.828 34.409 32.500 0.136 0.000 1.366 373 K HN 0.649 nan 8.250 nan 0.000 0.425 374 I N 4.856 125.510 120.570 0.140 0.000 2.471 374 I HA 0.211 4.349 4.170 -0.053 0.000 0.286 374 I C -0.045 176.162 176.117 0.151 0.000 1.079 374 I CA -0.180 61.201 61.300 0.134 0.000 1.398 374 I CB 0.449 38.520 38.000 0.119 0.000 1.403 374 I HN 0.342 nan 8.210 nan 0.000 0.530 375 I N 4.566 125.257 120.570 0.202 0.000 2.802 375 I HA 0.137 4.275 4.170 -0.053 0.000 0.298 375 I C -0.063 176.207 176.117 0.255 0.000 1.176 375 I CA -0.481 60.957 61.300 0.230 0.000 1.025 375 I CB 2.214 40.375 38.000 0.268 0.000 1.243 375 I HN 0.396 nan 8.210 nan 0.000 0.424 376 S N 4.967 120.756 115.700 0.149 0.000 2.505 376 S HA 0.240 4.678 4.470 -0.053 0.000 0.276 376 S C 0.197 174.847 174.600 0.084 0.000 1.274 376 S CA -0.443 57.791 58.200 0.057 0.000 1.053 376 S CB -0.066 63.112 63.200 -0.036 0.000 0.919 376 S HN 0.757 nan 8.310 nan 0.000 0.490 377 N N 3.029 121.678 118.700 -0.085 0.000 2.418 377 N HA 0.222 4.931 4.740 -0.053 0.000 0.283 377 N C 0.779 176.180 175.510 -0.182 0.000 1.267 377 N CA -0.802 52.046 53.050 -0.337 0.000 0.975 377 N CB 0.352 38.346 38.487 -0.822 0.000 1.167 377 N HN 0.642 nan 8.380 nan 0.000 0.581 378 E N -0.249 119.829 120.200 -0.203 0.000 2.169 378 E HA -0.251 4.067 4.350 -0.053 0.000 0.202 378 E C 0.731 177.272 176.600 -0.099 0.000 1.016 378 E CA 1.784 58.115 56.400 -0.115 0.000 0.817 378 E CB 0.010 29.640 29.700 -0.117 0.000 0.736 378 E HN 0.564 nan 8.360 nan 0.000 0.462 379 E N -1.735 118.404 120.200 -0.101 0.000 2.479 379 E HA 0.111 4.429 4.350 -0.053 0.000 0.193 379 E C 0.817 177.357 176.600 -0.101 0.000 1.049 379 E CA 0.585 56.965 56.400 -0.033 0.000 0.870 379 E CB 0.971 30.712 29.700 0.069 0.000 0.944 379 E HN 0.367 nan 8.360 nan 0.000 0.492 380 G N -0.275 108.426 108.800 -0.164 0.000 2.175 380 G HA2 -0.289 3.639 3.960 -0.053 0.000 0.244 380 G HA3 -0.289 3.639 3.960 -0.053 0.000 0.244 380 G C -0.341 174.304 174.900 -0.425 0.000 0.982 380 G CA -0.228 44.682 45.100 -0.317 0.000 0.641 380 G HN 0.246 nan 8.290 nan 0.000 0.527 381 Y N 0.616 120.813 120.300 -0.172 0.000 2.323 381 Y HA 0.655 5.173 4.550 -0.053 0.000 0.331 381 Y C 1.187 176.974 175.900 -0.190 0.000 1.092 381 Y CA -0.849 57.140 58.100 -0.184 0.000 1.150 381 Y CB 0.922 39.281 38.460 -0.168 0.000 1.200 381 Y HN 0.054 nan 8.280 nan 0.000 0.472 382 R N 2.843 123.274 120.500 -0.114 0.000 2.316 382 R HA 0.310 4.618 4.340 -0.053 0.000 0.314 382 R C -1.119 174.972 176.300 -0.348 0.000 1.069 382 R CA -0.023 56.010 56.100 -0.113 0.000 0.959 382 R CB 0.088 30.364 30.300 -0.039 0.000 0.987 382 R HN 0.741 nan 8.270 nan 0.000 0.446 383 H N 0.711 119.810 119.070 0.048 0.000 2.985 383 H HA 0.348 4.872 4.556 -0.053 0.000 0.360 383 H C -0.402 175.005 175.328 0.132 0.000 1.221 383 H CA -0.826 55.229 56.048 0.011 0.000 1.121 383 H CB 1.542 31.236 29.762 -0.113 0.000 1.854 383 H HN 0.349 nan 8.280 nan 0.000 0.551 384 I N 1.388 122.044 120.570 0.144 0.000 2.533 384 I HA 0.037 4.175 4.170 -0.053 0.000 0.284 384 I C -0.102 176.025 176.117 0.016 0.000 1.109 384 I CA 0.352 61.682 61.300 0.050 0.000 1.412 384 I CB 0.166 38.101 38.000 -0.108 0.000 1.396 384 I HN 0.302 nan 8.210 nan 0.000 0.543 385 c N 6.836 125.390 118.600 -0.076 0.000 2.529 385 c HA 0.479 5.017 4.570 -0.053 0.000 0.329 385 c C -0.544 173.385 174.090 -0.268 0.000 1.194 385 c CA -0.480 55.580 56.329 -0.449 0.000 1.779 385 c CB 1.338 43.338 42.510 -0.850 0.000 2.322 385 c HN 0.638 nan 8.230 nan 0.000 0.500 386 Y N 3.447 123.321 120.300 -0.710 0.000 2.328 386 Y HA 0.687 5.205 4.550 -0.053 0.000 0.337 386 Y C -1.262 174.072 175.900 -0.943 0.000 0.966 386 Y CA -1.192 56.462 58.100 -0.743 0.000 1.136 386 Y CB 0.399 38.543 38.460 -0.527 0.000 1.170 386 Y HN 0.571 nan 8.280 nan 0.000 0.470 387 F N 4.273 123.472 119.950 -1.252 0.000 2.467 387 F HA 0.489 4.985 4.527 -0.053 0.000 0.336 387 F C -0.234 174.794 175.800 -1.285 0.000 1.123 387 F CA -0.860 56.368 58.000 -1.287 0.000 0.964 387 F CB 1.694 39.603 39.000 -1.818 0.000 1.136 387 F HN 0.365 nan 8.300 nan 0.000 0.447 388 Q N 3.256 122.618 119.800 -0.730 0.000 2.241 388 Q HA 0.401 4.709 4.340 -0.053 0.000 0.254 388 Q C 1.054 176.990 176.000 -0.106 0.000 0.917 388 Q CA -0.561 54.983 55.803 -0.432 0.000 0.919 388 Q CB 2.563 31.082 28.738 -0.365 0.000 1.237 388 Q HN 0.779 nan 8.270 nan 0.000 0.434 389 I N 1.171 121.770 120.570 0.048 0.000 2.286 389 I HA -0.254 3.884 4.170 -0.053 0.000 0.248 389 I C 0.818 177.065 176.117 0.217 0.000 1.115 389 I CA 1.305 62.761 61.300 0.260 0.000 1.392 389 I CB 0.243 38.412 38.000 0.281 0.000 1.065 389 I HN 0.670 nan 8.210 nan 0.000 0.418 390 D N 0.576 121.034 120.400 0.097 0.000 2.340 390 D HA 0.105 4.713 4.640 -0.053 0.000 0.217 390 D C 0.260 176.570 176.300 0.017 0.000 1.081 390 D CA 0.320 54.348 54.000 0.046 0.000 0.842 390 D CB 0.396 41.214 40.800 0.029 0.000 0.934 390 D HN 0.317 nan 8.370 nan 0.000 0.511 391 K N 0.537 120.953 120.400 0.027 0.000 2.166 391 K HA 0.240 4.528 4.320 -0.053 0.000 0.245 391 K C 1.234 177.847 176.600 0.021 0.000 0.967 391 K CA -0.633 55.649 56.287 -0.007 0.000 0.863 391 K CB 2.100 34.567 32.500 -0.055 0.000 1.107 391 K HN -0.204 nan 8.250 nan 0.000 0.436 392 K N 0.525 120.916 120.400 -0.015 0.000 1.963 392 K HA -0.093 4.196 4.320 -0.053 0.000 0.216 392 K C 0.535 177.152 176.600 0.028 0.000 1.045 392 K CA 1.060 57.343 56.287 -0.007 0.000 0.954 392 K CB -0.157 32.329 32.500 -0.024 0.000 0.732 392 K HN 0.381 nan 8.250 nan 0.000 0.442 393 D N 0.002 120.372 120.400 -0.051 0.000 2.311 393 D HA 0.217 4.826 4.640 -0.053 0.000 0.278 393 D C 0.545 176.646 176.300 -0.331 0.000 1.189 393 D CA 0.374 54.312 54.000 -0.104 0.000 1.117 393 D CB 0.123 40.854 40.800 -0.114 0.000 1.168 393 D HN 0.594 nan 8.370 nan 0.000 0.509 394 c N -2.392 115.894 118.600 -0.525 0.000 3.314 394 c HA 0.736 5.274 4.570 -0.053 0.000 0.344 394 c C -1.176 172.544 174.090 -0.616 0.000 1.461 394 c CA -0.617 55.151 56.329 -0.936 0.000 1.249 394 c CB 1.291 42.603 42.510 -1.996 0.000 1.632 394 c HN 0.421 nan 8.230 nan 0.000 0.452 395 T N 1.563 115.755 114.554 -0.604 0.000 2.841 395 T HA 0.570 4.888 4.350 -0.053 0.000 0.285 395 T C -1.005 173.464 174.700 -0.386 0.000 0.991 395 T CA 0.119 62.043 62.100 -0.295 0.000 0.966 395 T CB 0.610 69.462 68.868 -0.027 0.000 0.962 395 T HN 0.467 nan 8.240 nan 0.000 0.438 396 F N 2.763 122.596 119.950 -0.195 0.000 2.445 396 F HA 0.340 4.835 4.527 -0.053 0.000 0.359 396 F C 1.601 177.221 175.800 -0.299 0.000 1.101 396 F CA -0.701 57.171 58.000 -0.215 0.000 1.177 396 F CB 0.262 39.144 39.000 -0.197 0.000 1.110 396 F HN 0.555 nan 8.300 nan 0.000 0.522 397 I N 0.645 121.051 120.570 -0.273 0.000 2.277 397 I HA -0.090 4.048 4.170 -0.053 0.000 0.243 397 I C 1.274 177.240 176.117 -0.252 0.000 1.094 397 I CA 0.741 61.697 61.300 -0.572 0.000 1.393 397 I CB -0.375 37.262 38.000 -0.605 0.000 1.078 397 I HN 0.557 nan 8.210 nan 0.000 0.417 398 T N 0.651 115.109 114.554 -0.159 0.000 2.927 398 T HA 0.586 4.905 4.350 -0.053 0.000 0.281 398 T C -0.448 173.950 174.700 -0.503 0.000 0.998 398 T CA -0.755 61.254 62.100 -0.152 0.000 1.019 398 T CB 2.022 70.901 68.868 0.019 0.000 1.061 398 T HN 0.336 nan 8.240 nan 0.000 0.518 399 K N -0.553 119.374 120.400 -0.789 0.000 2.587 399 K HA 0.678 4.966 4.320 -0.053 0.000 0.276 399 K C -0.555 175.429 176.600 -1.027 0.000 0.956 399 K CA -0.931 54.661 56.287 -1.157 0.000 0.857 399 K CB 1.354 33.522 32.500 -0.553 0.000 1.431 399 K HN 1.468 nan 8.250 nan 0.000 0.420 400 G N 0.067 108.256 108.800 -1.017 0.000 2.347 400 G HA2 0.011 3.939 3.960 -0.053 0.000 0.477 400 G HA3 0.011 3.939 3.960 -0.053 0.000 0.477 400 G C -0.800 173.549 174.900 -0.918 0.000 1.349 400 G CA -0.575 44.088 45.100 -0.727 0.000 1.000 400 G HN 0.446 nan 8.290 nan 0.000 0.605 401 T N 2.262 116.433 114.554 -0.639 0.000 3.624 401 T HA 0.429 4.747 4.350 -0.053 0.000 0.231 401 T C -0.079 174.364 174.700 -0.429 0.000 0.865 401 T CA 0.953 62.554 62.100 -0.832 0.000 0.926 401 T CB -1.196 67.439 68.868 -0.388 0.000 1.189 401 T HN 0.691 nan 8.240 nan 0.000 0.640 402 W N -0.372 120.738 121.300 -0.318 0.000 2.937 402 W HA 0.598 5.226 4.660 -0.053 0.000 0.360 402 W C -1.418 175.058 176.519 -0.072 0.000 1.215 402 W CA -1.013 56.293 57.345 -0.065 0.000 1.183 402 W CB 0.877 30.313 29.460 -0.041 0.000 1.458 402 W HN -0.073 nan 8.180 nan 0.000 0.574 403 E N 0.943 121.341 120.200 0.330 0.000 2.288 403 E HA 0.435 4.753 4.350 -0.053 0.000 0.268 403 E C -0.990 175.770 176.600 0.266 0.000 0.885 403 E CA -1.166 55.245 56.400 0.018 0.000 0.767 403 E CB 3.374 33.129 29.700 0.091 0.000 1.220 403 E HN 0.175 nan 8.360 nan 0.000 0.427 404 V N 3.408 123.362 119.914 0.067 0.000 2.555 404 V HA 0.027 4.115 4.120 -0.053 0.000 0.286 404 V C 1.109 177.331 176.094 0.213 0.000 1.044 404 V CA 0.421 62.863 62.300 0.237 0.000 1.026 404 V CB 0.575 32.451 31.823 0.089 0.000 0.981 404 V HN 0.702 nan 8.190 nan 0.000 0.480 405 I N 3.017 123.733 120.570 0.243 0.000 2.400 405 I HA 0.271 4.410 4.170 -0.053 0.000 0.248 405 I C 1.189 177.430 176.117 0.207 0.000 1.109 405 I CA 1.286 62.714 61.300 0.213 0.000 1.425 405 I CB 0.088 38.152 38.000 0.108 0.000 1.094 405 I HN 0.778 nan 8.210 nan 0.000 0.425 406 G N 0.066 108.987 108.800 0.202 0.000 2.703 406 G HA2 0.574 4.502 3.960 -0.053 0.000 0.294 406 G HA3 0.574 4.502 3.960 -0.053 0.000 0.294 406 G C -1.326 173.664 174.900 0.150 0.000 1.451 406 G CA -0.551 44.654 45.100 0.175 0.000 0.869 406 G HN -0.076 nan 8.290 nan 0.000 0.516 407 I N 1.476 122.055 120.570 0.015 0.000 2.331 407 I HA 0.311 4.449 4.170 -0.053 0.000 0.292 407 I C 0.574 176.635 176.117 -0.094 0.000 0.998 407 I CA -0.585 60.620 61.300 -0.159 0.000 1.267 407 I CB 1.893 39.524 38.000 -0.615 0.000 1.386 407 I HN 0.486 nan 8.210 nan 0.000 0.476 408 E N 4.538 124.747 120.200 0.015 0.000 2.330 408 E HA 0.362 4.680 4.350 -0.053 0.000 0.200 408 E C 0.058 176.603 176.600 -0.093 0.000 0.922 408 E CA 0.214 56.668 56.400 0.089 0.000 0.935 408 E CB 1.097 30.927 29.700 0.217 0.000 0.917 408 E HN 0.689 nan 8.360 nan 0.000 0.491 409 A N 0.605 123.282 122.820 -0.239 0.000 2.605 409 A HA 0.663 4.951 4.320 -0.053 0.000 0.294 409 A C -1.846 175.684 177.584 -0.090 0.000 1.062 409 A CA -0.600 51.212 52.037 -0.376 0.000 0.682 409 A CB 1.156 19.346 19.000 -1.351 0.000 1.278 409 A HN 0.079 nan 8.150 nan 0.000 0.410 410 L N 1.641 122.849 121.223 -0.025 0.000 2.410 410 L HA 0.835 5.144 4.340 -0.053 0.000 0.270 410 L C 0.098 177.004 176.870 0.060 0.000 0.983 410 L CA 0.067 54.923 54.840 0.026 0.000 0.822 410 L CB 2.339 44.442 42.059 0.073 0.000 1.285 410 L HN 1.141 nan 8.230 nan 0.000 0.409 411 T N -1.035 113.568 114.554 0.082 0.000 2.773 411 T HA 0.329 4.647 4.350 -0.053 0.000 0.278 411 T C 1.068 175.805 174.700 0.061 0.000 1.011 411 T CA 0.024 62.179 62.100 0.092 0.000 1.014 411 T CB 1.235 70.191 68.868 0.147 0.000 1.293 411 T HN 0.593 nan 8.240 nan 0.000 0.554 412 S N 0.173 115.904 115.700 0.053 0.000 2.359 412 S HA -0.155 4.283 4.470 -0.053 0.000 0.224 412 S C 1.235 175.805 174.600 -0.050 0.000 1.035 412 S CA 1.613 59.826 58.200 0.022 0.000 1.018 412 S CB -0.861 62.353 63.200 0.023 0.000 0.876 412 S HN 0.699 nan 8.310 nan 0.000 0.448 413 D N -0.269 120.079 120.400 -0.087 0.000 2.271 413 D HA 0.264 4.873 4.640 -0.053 0.000 0.206 413 D C -0.542 175.397 176.300 -0.603 0.000 0.967 413 D CA 0.726 54.525 54.000 -0.335 0.000 0.867 413 D CB 0.179 40.782 40.800 -0.328 0.000 0.960 413 D HN 0.452 nan 8.370 nan 0.000 0.509 414 Y N -0.658 119.579 120.300 -0.105 0.000 2.534 414 Y HA 0.442 4.960 4.550 -0.053 0.000 0.345 414 Y C -0.683 175.021 175.900 -0.327 0.000 1.031 414 Y CA -0.984 56.955 58.100 -0.270 0.000 1.022 414 Y CB 1.932 40.132 38.460 -0.434 0.000 1.292 414 Y HN -0.302 nan 8.280 nan 0.000 0.459 415 L N 2.960 124.036 121.223 -0.244 0.000 2.329 415 L HA 0.671 4.979 4.340 -0.053 0.000 0.279 415 L C -1.851 174.846 176.870 -0.289 0.000 1.014 415 L CA -0.605 54.072 54.840 -0.273 0.000 0.814 415 L CB 1.042 42.837 42.059 -0.440 0.000 1.257 415 L HN 0.607 nan 8.230 nan 0.000 0.424 416 Y N 4.306 124.546 120.300 -0.100 0.000 2.377 416 Y HA 0.576 5.096 4.550 -0.051 0.000 0.339 416 Y C -0.624 175.310 175.900 0.058 0.000 1.011 416 Y CA -0.500 57.561 58.100 -0.066 0.000 1.093 416 Y CB 1.520 39.837 38.460 -0.238 0.000 1.201 416 Y HN 0.514 nan 8.280 nan 0.000 0.455 417 Y N -0.103 120.261 120.300 0.107 0.000 2.588 417 Y HA 0.799 5.317 4.550 -0.053 0.000 0.343 417 Y C -1.494 174.492 175.900 0.143 0.000 1.065 417 Y CA -2.203 55.954 58.100 0.095 0.000 1.038 417 Y CB 0.928 39.430 38.460 0.070 0.000 1.297 417 Y HN 0.447 nan 8.280 nan 0.000 0.467 418 I N 3.014 123.702 120.570 0.197 0.000 2.428 418 I HA 0.623 4.761 4.170 -0.053 0.000 0.296 418 I C -0.063 176.211 176.117 0.263 0.000 0.985 418 I CA -0.385 60.982 61.300 0.112 0.000 1.260 418 I CB 1.778 39.818 38.000 0.067 0.000 1.389 418 I HN 0.844 nan 8.210 nan 0.000 0.484 419 S N 3.391 119.212 115.700 0.202 0.000 2.570 419 S HA 0.275 4.713 4.470 -0.053 0.000 0.270 419 S C -0.396 174.264 174.600 0.101 0.000 1.149 419 S CA -1.017 57.317 58.200 0.223 0.000 0.837 419 S CB 1.438 64.797 63.200 0.266 0.000 1.124 419 S HN 0.785 nan 8.310 nan 0.000 0.465 420 N N 0.160 118.916 118.700 0.094 0.000 2.322 420 N HA 0.075 4.783 4.740 -0.053 0.000 0.216 420 N C 0.941 176.440 175.510 -0.019 0.000 1.144 420 N CA -0.150 52.921 53.050 0.034 0.000 0.830 420 N CB 0.190 38.695 38.487 0.030 0.000 1.034 420 N HN 0.789 nan 8.380 nan 0.000 0.484 421 E N 0.978 121.035 120.200 -0.239 0.000 2.058 421 E HA -0.257 4.061 4.350 -0.053 0.000 0.194 421 E C -0.172 176.297 176.600 -0.219 0.000 0.997 421 E CA 0.679 56.723 56.400 -0.594 0.000 0.801 421 E CB -0.137 28.696 29.700 -1.444 0.000 0.746 421 E HN 0.456 nan 8.360 nan 0.000 0.450 422 Y N 1.949 122.169 120.300 -0.134 0.000 2.804 422 Y HA -0.146 4.373 4.550 -0.052 0.000 0.338 422 Y C 0.218 176.093 175.900 -0.040 0.000 1.252 422 Y CA 1.033 59.109 58.100 -0.040 0.000 1.576 422 Y CB -0.146 38.325 38.460 0.018 0.000 1.223 422 Y HN 0.102 nan 8.280 nan 0.000 0.536 423 K N 3.592 123.711 120.400 -0.468 0.000 3.209 423 K HA -0.215 4.073 4.320 -0.053 0.000 0.289 423 K C 0.741 177.269 176.600 -0.120 0.000 1.191 423 K CA 0.707 56.776 56.287 -0.364 0.000 0.851 423 K CB -1.787 30.441 32.500 -0.453 0.000 1.242 423 K HN 1.279 nan 8.250 nan 0.000 0.480 424 G N 0.891 109.640 108.800 -0.085 0.000 2.323 424 G HA2 -0.316 3.612 3.960 -0.053 0.000 0.292 424 G HA3 -0.316 3.612 3.960 -0.053 0.000 0.292 424 G C -0.034 174.844 174.900 -0.036 0.000 1.040 424 G CA 0.848 45.945 45.100 -0.005 0.000 0.942 424 G HN 0.321 nan 8.290 nan 0.000 0.506 425 M N -0.147 119.367 119.600 -0.143 0.000 2.036 425 M HA 0.245 4.693 4.480 -0.053 0.000 0.337 425 M C -1.505 174.574 176.300 -0.368 0.000 1.012 425 M CA -2.066 52.996 55.300 -0.396 0.000 0.962 425 M CB 1.965 34.422 32.600 -0.237 0.000 1.423 425 M HN -0.123 nan 8.290 nan 0.000 0.405 426 P HA -0.059 nan 4.420 nan 0.000 0.225 426 P C 1.065 178.274 177.300 -0.152 0.000 1.148 426 P CA 0.952 63.908 63.100 -0.240 0.000 0.779 426 P CB 0.253 31.800 31.700 -0.254 0.000 0.780 427 G N -1.310 107.351 108.800 -0.232 0.000 3.393 427 G HA2 0.350 4.278 3.960 -0.053 0.000 0.255 427 G HA3 0.350 4.278 3.960 -0.053 0.000 0.255 427 G C 0.542 175.483 174.900 0.069 0.000 1.097 427 G CA -0.002 45.074 45.100 -0.041 0.000 0.780 427 G HN 0.358 nan 8.290 nan 0.000 0.540 428 G N -0.077 108.713 108.800 -0.016 0.000 2.461 428 G HA2 0.694 4.622 3.960 -0.053 0.000 0.329 428 G HA3 0.694 4.622 3.960 -0.053 0.000 0.329 428 G C -0.730 174.115 174.900 -0.092 0.000 1.170 428 G CA -0.795 44.321 45.100 0.026 0.000 0.935 428 G HN 0.181 nan 8.290 nan 0.000 0.492 429 R N 0.575 120.980 120.500 -0.159 0.000 2.604 429 R HA 0.416 4.724 4.340 -0.053 0.000 0.270 429 R C -1.552 174.698 176.300 -0.083 0.000 1.052 429 R CA -0.888 55.067 56.100 -0.242 0.000 0.902 429 R CB 2.429 32.329 30.300 -0.668 0.000 1.233 429 R HN 0.588 nan 8.270 nan 0.000 0.455 430 N N 1.639 120.288 118.700 -0.085 0.000 2.504 430 N HA 0.237 4.945 4.740 -0.053 0.000 0.268 430 N C -1.312 173.983 175.510 -0.358 0.000 1.184 430 N CA -0.707 52.198 53.050 -0.242 0.000 0.875 430 N CB 2.377 40.598 38.487 -0.443 0.000 1.630 430 N HN 0.358 nan 8.380 nan 0.000 0.486 431 L N 2.369 123.296 121.223 -0.494 0.000 2.319 431 L HA 0.336 4.645 4.340 -0.053 0.000 0.280 431 L C -0.961 175.504 176.870 -0.675 0.000 1.099 431 L CA 0.037 54.619 54.840 -0.429 0.000 0.828 431 L CB -0.018 41.824 42.059 -0.362 0.000 1.150 431 L HN 0.529 nan 8.230 nan 0.000 0.442 432 Y N 3.542 123.528 120.300 -0.524 0.000 2.562 432 Y HA 0.436 4.955 4.550 -0.052 0.000 0.343 432 Y C -0.248 175.375 175.900 -0.461 0.000 1.025 432 Y CA -0.855 56.905 58.100 -0.566 0.000 1.082 432 Y CB 1.824 39.776 38.460 -0.846 0.000 1.264 432 Y HN 0.406 nan 8.280 nan 0.000 0.478 433 K N 1.781 122.088 120.400 -0.155 0.000 2.443 433 K HA 0.698 4.986 4.320 -0.053 0.000 0.252 433 K C -1.786 174.806 176.600 -0.012 0.000 0.933 433 K CA -0.552 55.567 56.287 -0.280 0.000 0.792 433 K CB 1.596 33.666 32.500 -0.716 0.000 1.185 433 K HN 0.619 nan 8.250 nan 0.000 0.425 434 I N 2.842 123.463 120.570 0.085 0.000 2.315 434 I HA 0.104 4.242 4.170 -0.053 0.000 0.291 434 I C 0.256 176.473 176.117 0.168 0.000 1.006 434 I CA -0.703 60.688 61.300 0.152 0.000 1.265 434 I CB 1.545 39.611 38.000 0.111 0.000 1.387 434 I HN 0.670 nan 8.210 nan 0.000 0.475 435 Q N 5.919 125.843 119.800 0.207 0.000 2.271 435 Q HA 0.115 4.423 4.340 -0.053 0.000 0.273 435 Q C 0.450 176.432 176.000 -0.031 0.000 1.051 435 Q CA -0.025 55.763 55.803 -0.025 0.000 0.901 435 Q CB 0.806 29.557 28.738 0.022 0.000 1.174 435 Q HN 0.747 nan 8.270 nan 0.000 0.385 436 L N 2.810 123.950 121.223 -0.138 0.000 2.552 436 L HA -0.069 4.239 4.340 -0.053 0.000 0.227 436 L C 2.091 178.888 176.870 -0.121 0.000 1.146 436 L CA 0.745 55.578 54.840 -0.012 0.000 0.858 436 L CB -0.257 41.756 42.059 -0.076 0.000 0.969 436 L HN 0.669 nan 8.230 nan 0.000 0.451 437 S N -2.440 113.148 115.700 -0.185 0.000 2.478 437 S HA -0.025 4.413 4.470 -0.053 0.000 0.222 437 S C 0.656 175.106 174.600 -0.250 0.000 1.008 437 S CA 0.034 58.108 58.200 -0.210 0.000 0.928 437 S CB 0.186 63.286 63.200 -0.167 0.000 0.781 437 S HN 0.305 nan 8.310 nan 0.000 0.518 438 D N -0.043 120.241 120.400 -0.194 0.000 2.336 438 D HA 0.269 4.877 4.640 -0.053 0.000 0.248 438 D C -0.359 175.924 176.300 -0.028 0.000 1.326 438 D CA -0.622 53.276 54.000 -0.169 0.000 0.973 438 D CB 0.419 41.167 40.800 -0.086 0.000 1.255 438 D HN -0.008 nan 8.370 nan 0.000 0.558 439 Y N 0.863 121.141 120.300 -0.035 0.000 2.365 439 Y HA -0.172 4.346 4.550 -0.053 0.000 0.287 439 Y C 2.603 178.506 175.900 0.006 0.000 1.162 439 Y CA 1.578 59.666 58.100 -0.019 0.000 1.260 439 Y CB -1.123 37.323 38.460 -0.024 0.000 0.976 439 Y HN 0.418 nan 8.280 nan 0.000 0.548 440 T N -2.453 112.180 114.554 0.132 0.000 3.118 440 T HA -0.004 4.314 4.350 -0.053 0.000 0.260 440 T C 0.626 175.374 174.700 0.080 0.000 1.139 440 T CA 0.057 62.211 62.100 0.090 0.000 1.085 440 T CB -0.244 68.653 68.868 0.048 0.000 0.934 440 T HN 0.113 nan 8.240 nan 0.000 0.518 441 K N 1.963 122.413 120.400 0.084 0.000 2.231 441 K HA 0.509 4.797 4.320 -0.053 0.000 0.275 441 K C -1.233 175.439 176.600 0.119 0.000 1.105 441 K CA -0.390 55.949 56.287 0.085 0.000 0.931 441 K CB 1.293 33.835 32.500 0.071 0.000 1.296 441 K HN 0.132 nan 8.250 nan 0.000 0.446 442 V N 2.048 122.028 119.914 0.111 0.000 2.628 442 V HA 0.433 4.521 4.120 -0.053 0.000 0.306 442 V C -0.159 176.001 176.094 0.110 0.000 1.045 442 V CA -0.815 61.562 62.300 0.128 0.000 0.905 442 V CB 2.024 33.928 31.823 0.134 0.000 0.997 442 V HN 0.779 nan 8.190 nan 0.000 0.436 443 T N 0.081 114.697 114.554 0.103 0.000 2.928 443 T HA 0.335 4.653 4.350 -0.053 0.000 0.296 443 T C -0.617 174.084 174.700 0.001 0.000 1.000 443 T CA -0.469 61.659 62.100 0.047 0.000 0.989 443 T CB 1.026 69.878 68.868 -0.027 0.000 1.005 443 T HN 0.673 nan 8.240 nan 0.000 0.442 444 C N 4.256 123.525 119.300 -0.051 0.000 2.576 444 C HA 0.429 4.857 4.460 -0.053 0.000 0.401 444 C C 1.731 176.481 174.990 -0.401 0.000 1.314 444 C CA -0.525 58.226 59.018 -0.444 0.000 1.855 444 C CB -1.548 25.914 27.740 -0.463 0.000 2.537 444 C HN 1.007 nan 8.230 nan 0.000 0.578 445 L N 4.176 125.100 121.223 -0.497 0.000 2.408 445 L HA 0.094 4.402 4.340 -0.053 0.000 0.215 445 L C 2.121 178.736 176.870 -0.426 0.000 1.081 445 L CA 0.837 55.463 54.840 -0.357 0.000 0.840 445 L CB -0.273 41.626 42.059 -0.267 0.000 1.002 445 L HN 0.846 nan 8.230 nan 0.000 0.468 446 S N -3.074 112.257 115.700 -0.615 0.000 2.632 446 S HA 0.018 4.456 4.470 -0.053 0.000 0.237 446 S C 1.694 175.917 174.600 -0.629 0.000 1.037 446 S CA -0.268 57.456 58.200 -0.792 0.000 1.009 446 S CB -0.255 62.106 63.200 -1.397 0.000 0.974 446 S HN 0.265 nan 8.310 nan 0.000 0.544 447 C N 2.295 121.228 119.300 -0.612 0.000 2.440 447 C HA 0.149 4.577 4.460 -0.053 0.000 0.278 447 C C 2.172 176.860 174.990 -0.504 0.000 1.295 447 C CA 0.662 59.248 59.018 -0.719 0.000 1.738 447 C CB -0.713 26.436 27.740 -0.985 0.000 1.987 447 C HN 0.578 nan 8.230 nan 0.000 0.492 448 E N 0.256 120.262 120.200 -0.323 0.000 2.501 448 E HA 0.199 4.517 4.350 -0.053 0.000 0.201 448 E C 1.775 178.307 176.600 -0.114 0.000 1.016 448 E CA -0.096 56.203 56.400 -0.169 0.000 0.920 448 E CB -0.163 29.470 29.700 -0.111 0.000 1.023 448 E HN 0.616 nan 8.360 nan 0.000 0.474 449 L N 0.620 121.767 121.223 -0.127 0.000 1.956 449 L HA -0.119 4.189 4.340 -0.053 0.000 0.216 449 L C 1.202 178.062 176.870 -0.018 0.000 1.073 449 L CA 1.147 55.945 54.840 -0.069 0.000 0.762 449 L CB -0.073 41.963 42.059 -0.039 0.000 0.889 449 L HN 0.049 nan 8.230 nan 0.000 0.433 450 N N -1.454 117.257 118.700 0.019 0.000 2.707 450 N HA 0.158 4.866 4.740 -0.053 0.000 0.249 450 N C -2.170 173.345 175.510 0.008 0.000 1.299 450 N CA -1.140 51.915 53.050 0.007 0.000 0.769 450 N CB 1.365 39.853 38.487 0.001 0.000 1.236 450 N HN -0.181 nan 8.380 nan 0.000 0.524 451 P HA -0.111 nan 4.420 nan 0.000 0.216 451 P C 0.646 177.969 177.300 0.039 0.000 1.153 451 P CA 1.485 64.606 63.100 0.034 0.000 0.858 451 P CB 0.693 32.428 31.700 0.059 0.000 0.789 452 E N -0.860 119.352 120.200 0.019 0.000 2.046 452 E HA -0.107 4.211 4.350 -0.053 0.000 0.190 452 E C 2.241 178.833 176.600 -0.013 0.000 0.982 452 E CA 0.906 57.313 56.400 0.011 0.000 0.800 452 E CB -0.536 29.164 29.700 0.001 0.000 0.756 452 E HN 0.132 nan 8.360 nan 0.000 0.449 453 R N -0.516 119.964 120.500 -0.035 0.000 2.153 453 R HA 0.104 4.413 4.340 -0.053 0.000 0.218 453 R C -0.326 175.915 176.300 -0.098 0.000 1.072 453 R CA 0.602 56.659 56.100 -0.072 0.000 0.990 453 R CB 0.198 30.447 30.300 -0.084 0.000 0.889 453 R HN 0.149 nan 8.270 nan 0.000 0.452 454 c N 0.433 118.980 118.600 -0.088 0.000 2.346 454 c HA 0.402 4.940 4.570 -0.053 0.000 0.326 454 c C 0.005 174.027 174.090 -0.113 0.000 1.224 454 c CA -0.642 55.575 56.329 -0.186 0.000 1.408 454 c CB 1.595 43.971 42.510 -0.223 0.000 2.089 454 c HN 0.549 nan 8.230 nan 0.000 0.456 455 Q N 0.489 120.212 119.800 -0.129 0.000 2.089 455 Q HA 0.192 4.500 4.340 -0.053 0.000 0.227 455 Q C -0.858 175.155 176.000 0.021 0.000 0.774 455 Q CA 0.122 55.928 55.803 0.006 0.000 0.960 455 Q CB 1.168 29.950 28.738 0.074 0.000 1.179 455 Q HN 0.795 nan 8.270 nan 0.000 0.460 456 Y N 0.711 120.863 120.300 -0.246 0.000 2.646 456 Y HA 0.378 4.896 4.550 -0.054 0.000 0.334 456 Y C -1.497 174.245 175.900 -0.263 0.000 1.004 456 Y CA -0.943 57.053 58.100 -0.174 0.000 1.301 456 Y CB 0.544 38.930 38.460 -0.123 0.000 1.093 456 Y HN -0.072 nan 8.280 nan 0.000 0.530 457 Y N 2.140 122.321 120.300 -0.198 0.000 2.387 457 Y HA 0.562 5.080 4.550 -0.054 0.000 0.336 457 Y C 0.448 176.251 175.900 -0.161 0.000 1.067 457 Y CA -0.462 57.550 58.100 -0.147 0.000 1.114 457 Y CB 1.892 40.255 38.460 -0.160 0.000 1.208 457 Y HN 0.503 nan 8.280 nan 0.000 0.458 458 S N 1.303 117.061 115.700 0.097 0.000 2.677 458 S HA 0.879 5.317 4.470 -0.053 0.000 0.304 458 S C -1.391 173.262 174.600 0.088 0.000 1.108 458 S CA -0.779 57.469 58.200 0.080 0.000 0.944 458 S CB 1.912 65.169 63.200 0.096 0.000 1.127 458 S HN 0.569 nan 8.310 nan 0.000 0.511 459 V N 0.103 120.071 119.914 0.089 0.000 3.114 459 V HA 0.863 4.951 4.120 -0.053 0.000 0.308 459 V C -1.279 174.883 176.094 0.113 0.000 1.168 459 V CA -0.284 62.040 62.300 0.041 0.000 1.015 459 V CB 2.340 34.129 31.823 -0.058 0.000 1.050 459 V HN 1.165 nan 8.190 nan 0.000 0.433 460 S N 4.337 120.087 115.700 0.082 0.000 2.776 460 S HA 0.660 5.098 4.470 -0.053 0.000 0.284 460 S C -1.324 173.416 174.600 0.233 0.000 1.160 460 S CA -0.371 57.992 58.200 0.272 0.000 1.051 460 S CB 0.459 63.875 63.200 0.361 0.000 1.037 460 S HN 0.498 nan 8.310 nan 0.000 0.485 461 F N 3.104 123.086 119.950 0.054 0.000 2.397 461 F HA 0.464 4.959 4.527 -0.052 0.000 0.331 461 F C 1.335 176.635 175.800 -0.833 0.000 1.090 461 F CA -0.389 57.453 58.000 -0.264 0.000 1.065 461 F CB 1.535 40.404 39.000 -0.219 0.000 1.184 461 F HN 0.622 nan 8.300 nan 0.000 0.499 462 S N 2.204 117.155 115.700 -1.249 0.000 2.580 462 S HA 0.188 4.626 4.470 -0.053 0.000 0.266 462 S C -0.217 174.186 174.600 -0.328 0.000 1.354 462 S CA -1.036 56.457 58.200 -1.179 0.000 1.008 462 S CB 0.281 62.916 63.200 -0.941 0.000 0.898 462 S HN 0.557 nan 8.310 nan 0.000 0.555 463 K N 1.439 121.769 120.400 -0.117 0.000 2.518 463 K HA -0.015 4.273 4.320 -0.053 0.000 0.276 463 K C 0.700 177.276 176.600 -0.040 0.000 0.974 463 K CA 0.668 56.944 56.287 -0.017 0.000 0.986 463 K CB -0.086 32.434 32.500 0.034 0.000 0.901 463 K HN 0.829 nan 8.250 nan 0.000 0.497 464 E N -0.084 120.109 120.200 -0.011 0.000 3.760 464 E HA -0.351 3.967 4.350 -0.053 0.000 0.317 464 E C 0.040 176.618 176.600 -0.037 0.000 0.730 464 E CA 0.680 57.075 56.400 -0.008 0.000 1.106 464 E CB -1.321 28.383 29.700 0.006 0.000 1.574 464 E HN 0.894 nan 8.360 nan 0.000 0.451 465 A N -0.416 122.364 122.820 -0.066 0.000 2.869 465 A HA -0.326 3.962 4.320 -0.053 0.000 0.280 465 A C 1.058 178.625 177.584 -0.028 0.000 1.458 465 A CA 2.095 54.113 52.037 -0.031 0.000 0.776 465 A CB -1.475 17.406 19.000 -0.199 0.000 1.028 465 A HN 0.238 nan 8.150 nan 0.000 0.547 466 K N -1.483 118.835 120.400 -0.136 0.000 2.167 466 K HA 0.245 4.534 4.320 -0.053 0.000 0.203 466 K C 0.276 176.516 176.600 -0.601 0.000 1.052 466 K CA 1.736 57.811 56.287 -0.354 0.000 0.956 466 K CB -0.019 32.231 32.500 -0.418 0.000 0.735 466 K HN 0.781 nan 8.250 nan 0.000 0.451 467 Y N -1.567 118.686 120.300 -0.078 0.000 2.609 467 Y HA 0.401 4.923 4.550 -0.047 0.000 0.342 467 Y C -0.802 175.006 175.900 -0.153 0.000 1.058 467 Y CA -1.740 56.308 58.100 -0.086 0.000 1.055 467 Y CB 1.507 39.955 38.460 -0.021 0.000 1.292 467 Y HN -0.093 nan 8.280 nan 0.000 0.476 468 Y N -1.510 118.726 120.300 -0.107 0.000 2.562 468 Y HA 0.542 5.061 4.550 -0.051 0.000 0.345 468 Y C -1.108 174.733 175.900 -0.098 0.000 1.045 468 Y CA -1.708 56.181 58.100 -0.352 0.000 1.028 468 Y CB 1.443 39.181 38.460 -1.203 0.000 1.297 468 Y HN 0.584 nan 8.280 nan 0.000 0.463 469 Q N 2.989 122.856 119.800 0.112 0.000 2.303 469 Q HA 0.477 4.785 4.340 -0.053 0.000 0.257 469 Q C -1.457 174.501 176.000 -0.070 0.000 0.941 469 Q CA -0.549 55.230 55.803 -0.040 0.000 0.931 469 Q CB 1.058 29.818 28.738 0.037 0.000 1.215 469 Q HN 0.916 nan 8.270 nan 0.000 0.437 470 L N 3.700 124.801 121.223 -0.203 0.000 2.334 470 L HA 0.469 4.777 4.340 -0.053 0.000 0.277 470 L C -0.175 176.656 176.870 -0.066 0.000 1.075 470 L CA -0.501 54.311 54.840 -0.047 0.000 0.804 470 L CB 1.084 43.147 42.059 0.008 0.000 1.174 470 L HN 0.552 nan 8.230 nan 0.000 0.438 471 R N 3.044 123.533 120.500 -0.018 0.000 2.468 471 R HA 0.314 4.622 4.340 -0.053 0.000 0.302 471 R C -1.319 174.836 176.300 -0.242 0.000 1.041 471 R CA -0.399 55.536 56.100 -0.275 0.000 0.899 471 R CB 0.869 31.048 30.300 -0.203 0.000 1.167 471 R HN 0.617 nan 8.270 nan 0.000 0.483 472 c N 3.276 121.623 118.600 -0.421 0.000 2.330 472 c HA 0.633 5.171 4.570 -0.053 0.000 0.344 472 c C 0.379 174.274 174.090 -0.326 0.000 1.273 472 c CA -0.277 55.732 56.329 -0.533 0.000 1.879 472 c CB 0.909 43.027 42.510 -0.653 0.000 2.376 472 c HN 0.957 nan 8.230 nan 0.000 0.534 473 S N 3.074 118.670 115.700 -0.174 0.000 2.539 473 S HA 0.563 5.001 4.470 -0.053 0.000 0.221 473 S C 0.524 175.103 174.600 -0.035 0.000 0.987 473 S CA 0.413 58.575 58.200 -0.063 0.000 0.929 473 S CB 0.268 63.464 63.200 -0.007 0.000 0.832 473 S HN 1.586 nan 8.310 nan 0.000 0.492 474 G N 2.038 110.790 108.800 -0.080 0.000 2.369 474 G HA2 0.124 4.052 3.960 -0.053 0.000 0.307 474 G HA3 0.124 4.052 3.960 -0.053 0.000 0.307 474 G C -2.940 171.936 174.900 -0.040 0.000 1.327 474 G CA -0.639 44.442 45.100 -0.032 0.000 0.963 474 G HN -0.163 nan 8.290 nan 0.000 0.590 475 P HA 0.100 nan 4.420 nan 0.000 0.226 475 P C 1.345 178.649 177.300 0.007 0.000 1.153 475 P CA 1.626 64.745 63.100 0.031 0.000 0.777 475 P CB 0.099 31.815 31.700 0.027 0.000 0.794 476 G N 0.191 108.928 108.800 -0.105 0.000 2.535 476 G HA2 0.401 4.329 3.960 -0.053 0.000 0.282 476 G HA3 0.401 4.329 3.960 -0.053 0.000 0.282 476 G C -0.257 174.363 174.900 -0.466 0.000 1.350 476 G CA -0.762 44.194 45.100 -0.240 0.000 1.039 476 G HN 0.042 nan 8.290 nan 0.000 0.509 477 L N 1.149 122.018 121.223 -0.589 0.000 2.483 477 L HA 0.144 4.452 4.340 -0.053 0.000 0.276 477 L C -1.828 174.861 176.870 -0.301 0.000 1.213 477 L CA -1.221 53.249 54.840 -0.616 0.000 0.843 477 L CB 0.461 42.268 42.059 -0.421 0.000 1.107 477 L HN 0.250 nan 8.230 nan 0.000 0.487 478 P HA 0.095 nan 4.420 nan 0.000 0.267 478 P C -0.863 176.375 177.300 -0.103 0.000 1.200 478 P CA 0.059 63.087 63.100 -0.120 0.000 0.772 478 P CB 0.608 32.327 31.700 0.031 0.000 0.855 479 L N 3.674 124.752 121.223 -0.240 0.000 2.406 479 L HA 0.429 4.737 4.340 -0.053 0.000 0.272 479 L C -1.316 175.365 176.870 -0.314 0.000 0.980 479 L CA -0.840 53.904 54.840 -0.161 0.000 0.831 479 L CB 1.158 43.133 42.059 -0.138 0.000 1.253 479 L HN 0.346 nan 8.230 nan 0.000 0.406 480 Y N 2.291 122.518 120.300 -0.121 0.000 2.356 480 Y HA 0.474 4.995 4.550 -0.049 0.000 0.334 480 Y C 0.633 176.368 175.900 -0.274 0.000 0.958 480 Y CA -0.600 57.392 58.100 -0.180 0.000 1.196 480 Y CB 1.909 40.250 38.460 -0.199 0.000 1.137 480 Y HN 0.501 nan 8.280 nan 0.000 0.485 481 T N 0.675 115.109 114.554 -0.201 0.000 2.930 481 T HA 0.780 5.098 4.350 -0.053 0.000 0.290 481 T C -1.328 173.064 174.700 -0.513 0.000 1.052 481 T CA -0.933 60.971 62.100 -0.328 0.000 1.017 481 T CB 2.118 70.829 68.868 -0.262 0.000 1.137 481 T HN 0.377 nan 8.240 nan 0.000 0.511 482 L N 0.583 121.504 121.223 -0.504 0.000 2.362 482 L HA 0.682 4.990 4.340 -0.053 0.000 0.271 482 L C -1.001 175.607 176.870 -0.437 0.000 1.002 482 L CA -0.393 54.178 54.840 -0.448 0.000 0.818 482 L CB 1.790 43.732 42.059 -0.195 0.000 1.298 482 L HN 0.951 nan 8.230 nan 0.000 0.420 483 H N 0.667 119.488 119.070 -0.414 0.000 2.946 483 H HA 0.611 5.136 4.556 -0.052 0.000 0.365 483 H C -1.306 173.805 175.328 -0.362 0.000 1.197 483 H CA -1.045 54.666 56.048 -0.561 0.000 1.131 483 H CB 2.173 31.265 29.762 -1.117 0.000 1.849 483 H HN 0.508 nan 8.280 nan 0.000 0.555 484 S N 0.063 115.744 115.700 -0.032 0.000 2.473 484 S HA 0.212 4.650 4.470 -0.053 0.000 0.307 484 S C 0.414 175.035 174.600 0.034 0.000 1.094 484 S CA -0.600 57.643 58.200 0.072 0.000 1.070 484 S CB 1.563 64.849 63.200 0.143 0.000 1.019 484 S HN 0.627 nan 8.310 nan 0.000 0.480 485 S N 3.087 118.795 115.700 0.014 0.000 2.425 485 S HA -0.038 4.400 4.470 -0.053 0.000 0.225 485 S C 1.947 176.578 174.600 0.052 0.000 1.024 485 S CA 0.899 59.169 58.200 0.116 0.000 0.951 485 S CB -0.286 62.973 63.200 0.099 0.000 0.796 485 S HN 0.633 nan 8.310 nan 0.000 0.498 486 V N 2.400 122.307 119.914 -0.011 0.000 2.220 486 V HA -0.258 3.831 4.120 -0.053 0.000 0.250 486 V C 0.660 176.770 176.094 0.027 0.000 1.053 486 V CA 1.715 64.022 62.300 0.012 0.000 1.019 486 V CB -0.653 31.163 31.823 -0.011 0.000 0.646 486 V HN 0.526 nan 8.190 nan 0.000 0.455 487 N N 0.124 118.832 118.700 0.012 0.000 3.012 487 N HA 0.191 4.900 4.740 -0.053 0.000 0.270 487 N C -1.025 174.479 175.510 -0.010 0.000 1.469 487 N CA -0.371 52.682 53.050 0.004 0.000 0.928 487 N CB 0.320 38.809 38.487 0.004 0.000 1.219 487 N HN 0.292 nan 8.380 nan 0.000 0.492 488 D N 2.109 122.508 120.400 -0.001 0.000 6.755 488 D HA -0.182 4.426 4.640 -0.053 0.000 0.179 488 D C -0.060 176.193 176.300 -0.078 0.000 1.247 488 D CA 1.348 55.346 54.000 -0.002 0.000 0.816 488 D CB -0.109 40.682 40.800 -0.015 0.000 1.460 488 D HN 0.313 nan 8.370 nan 0.000 0.805 489 K N 0.424 120.786 120.400 -0.064 0.000 2.201 489 K HA 0.390 4.679 4.320 -0.053 0.000 0.278 489 K C 0.705 177.240 176.600 -0.109 0.000 1.027 489 K CA -0.616 55.625 56.287 -0.076 0.000 0.909 489 K CB 1.704 34.191 32.500 -0.020 0.000 1.062 489 K HN 0.230 nan 8.250 nan 0.000 0.465 490 G N 3.289 112.005 108.800 -0.140 0.000 2.358 490 G HA2 0.196 4.124 3.960 -0.053 0.000 0.273 490 G HA3 0.196 4.124 3.960 -0.053 0.000 0.273 490 G C 0.832 175.752 174.900 0.032 0.000 1.215 490 G CA -0.283 44.795 45.100 -0.037 0.000 0.910 490 G HN 0.575 nan 8.290 nan 0.000 0.467 491 L N 1.571 122.838 121.223 0.075 0.000 2.286 491 L HA 0.401 4.709 4.340 -0.053 0.000 0.203 491 L C 1.388 178.250 176.870 -0.013 0.000 1.068 491 L CA 0.444 55.292 54.840 0.013 0.000 0.811 491 L CB 0.200 42.256 42.059 -0.004 0.000 0.989 491 L HN 0.491 nan 8.230 nan 0.000 0.467 492 R N -0.749 119.731 120.500 -0.033 0.000 3.070 492 R HA 0.263 4.571 4.340 -0.053 0.000 0.249 492 R C -1.615 174.609 176.300 -0.128 0.000 1.124 492 R CA -0.361 55.693 56.100 -0.077 0.000 1.111 492 R CB 1.557 31.801 30.300 -0.094 0.000 1.268 492 R HN -0.264 nan 8.270 nan 0.000 0.466 493 V N 6.161 126.006 119.914 -0.115 0.000 2.555 493 V HA 0.144 4.232 4.120 -0.053 0.000 0.286 493 V C 1.103 177.051 176.094 -0.244 0.000 1.044 493 V CA 0.172 62.384 62.300 -0.147 0.000 1.026 493 V CB 1.315 33.084 31.823 -0.089 0.000 0.981 493 V HN 0.713 nan 8.190 nan 0.000 0.480 494 L N 2.535 123.534 121.223 -0.372 0.000 2.362 494 L HA 0.396 4.704 4.340 -0.053 0.000 0.204 494 L C 0.622 177.164 176.870 -0.546 0.000 1.060 494 L CA 0.443 54.847 54.840 -0.728 0.000 0.827 494 L CB 0.262 41.496 42.059 -1.374 0.000 1.027 494 L HN 0.655 nan 8.230 nan 0.000 0.474 495 E N 0.090 120.129 120.200 -0.269 0.000 2.311 495 E HA 0.142 4.460 4.350 -0.053 0.000 0.281 495 E C -1.279 175.346 176.600 0.042 0.000 0.905 495 E CA -0.386 55.966 56.400 -0.080 0.000 0.778 495 E CB 1.246 30.889 29.700 -0.094 0.000 1.240 495 E HN 0.179 nan 8.360 nan 0.000 0.410 496 D N 2.882 123.289 120.400 0.012 0.000 2.431 496 D HA 0.148 4.756 4.640 -0.053 0.000 0.213 496 D C -0.312 175.994 176.300 0.010 0.000 1.130 496 D CA -0.318 53.688 54.000 0.009 0.000 0.834 496 D CB -0.030 40.757 40.800 -0.021 0.000 0.985 496 D HN 0.430 nan 8.370 nan 0.000 0.504 497 N N 0.496 119.216 118.700 0.033 0.000 2.721 497 N HA -0.201 4.507 4.740 -0.053 0.000 0.249 497 N C 0.787 176.300 175.510 0.005 0.000 1.072 497 N CA 0.911 53.978 53.050 0.028 0.000 0.710 497 N CB -1.215 37.284 38.487 0.021 0.000 0.993 497 N HN 0.460 nan 8.380 nan 0.000 0.547 498 S N -1.084 114.619 115.700 0.005 0.000 2.383 498 S HA -0.034 4.404 4.470 -0.053 0.000 0.227 498 S C 2.112 176.721 174.600 0.015 0.000 1.026 498 S CA 0.936 59.136 58.200 -0.000 0.000 0.981 498 S CB -0.157 63.042 63.200 -0.001 0.000 0.818 498 S HN 0.561 nan 8.310 nan 0.000 0.472 499 A N 2.965 125.803 122.820 0.031 0.000 1.842 499 A HA -0.035 4.253 4.320 -0.053 0.000 0.217 499 A C 2.189 179.811 177.584 0.063 0.000 1.206 499 A CA 1.652 53.718 52.037 0.048 0.000 0.630 499 A CB -1.297 17.738 19.000 0.057 0.000 0.839 499 A HN 0.465 nan 8.150 nan 0.000 0.447 500 L N -0.418 120.849 121.223 0.075 0.000 2.010 500 L HA -0.325 3.983 4.340 -0.053 0.000 0.219 500 L C 2.412 179.307 176.870 0.040 0.000 1.077 500 L CA 2.770 57.666 54.840 0.093 0.000 0.773 500 L CB -0.647 41.467 42.059 0.092 0.000 0.892 500 L HN 0.634 nan 8.230 nan 0.000 0.436 501 D N -0.386 120.013 120.400 -0.001 0.000 2.158 501 D HA -0.232 4.376 4.640 -0.053 0.000 0.197 501 D C 2.110 178.404 176.300 -0.010 0.000 0.995 501 D CA 1.593 55.574 54.000 -0.032 0.000 0.846 501 D CB 0.107 40.879 40.800 -0.046 0.000 0.941 501 D HN 0.312 nan 8.370 nan 0.000 0.456 502 K N -0.736 119.673 120.400 0.015 0.000 2.062 502 K HA -0.021 4.267 4.320 -0.053 0.000 0.205 502 K C 2.370 178.995 176.600 0.042 0.000 1.051 502 K CA 0.877 57.179 56.287 0.026 0.000 0.941 502 K CB -0.104 32.417 32.500 0.035 0.000 0.719 502 K HN 0.261 nan 8.250 nan 0.000 0.440 503 M N 0.790 120.433 119.600 0.072 0.000 2.086 503 M HA -0.162 4.286 4.480 -0.053 0.000 0.261 503 M C 2.097 178.404 176.300 0.011 0.000 1.067 503 M CA 1.621 56.993 55.300 0.119 0.000 1.116 503 M CB -0.341 32.420 32.600 0.268 0.000 1.348 503 M HN 0.116 nan 8.290 nan 0.000 0.407 504 L N -0.337 120.847 121.223 -0.065 0.000 2.465 504 L HA -0.154 4.155 4.340 -0.053 0.000 0.224 504 L C 2.124 178.952 176.870 -0.070 0.000 1.145 504 L CA 0.702 55.456 54.840 -0.144 0.000 0.834 504 L CB -0.418 41.572 42.059 -0.114 0.000 0.944 504 L HN 0.408 nan 8.230 nan 0.000 0.451 505 Q N -0.506 119.276 119.800 -0.030 0.000 2.436 505 Q HA -0.106 4.203 4.340 -0.053 0.000 0.209 505 Q C 1.204 177.207 176.000 0.005 0.000 0.965 505 Q CA 0.597 56.393 55.803 -0.011 0.000 0.910 505 Q CB 0.097 28.835 28.738 -0.001 0.000 0.980 505 Q HN 0.311 nan 8.270 nan 0.000 0.491 506 N N -0.160 118.546 118.700 0.011 0.000 2.235 506 N HA 0.063 4.771 4.740 -0.053 0.000 0.209 506 N C -1.019 174.519 175.510 0.046 0.000 1.122 506 N CA 0.068 53.142 53.050 0.041 0.000 0.845 506 N CB 1.195 39.725 38.487 0.072 0.000 1.004 506 N HN 0.026 nan 8.380 nan 0.000 0.499 507 V N -0.137 119.784 119.914 0.011 0.000 3.007 507 V HA 0.342 4.430 4.120 -0.053 0.000 0.311 507 V C -0.849 175.251 176.094 0.011 0.000 1.120 507 V CA -0.773 61.545 62.300 0.030 0.000 0.980 507 V CB 2.152 33.985 31.823 0.016 0.000 1.033 507 V HN -0.053 nan 8.190 nan 0.000 0.429 508 Q N 5.271 125.089 119.800 0.030 0.000 2.962 508 Q HA 0.238 4.547 4.340 -0.053 0.000 0.251 508 Q C -0.317 175.658 176.000 -0.040 0.000 1.380 508 Q CA -0.141 55.646 55.803 -0.027 0.000 0.926 508 Q CB 0.116 28.849 28.738 -0.009 0.000 1.704 508 Q HN 0.598 nan 8.270 nan 0.000 0.563 509 M N 2.954 122.519 119.600 -0.058 0.000 2.238 509 M HA 0.215 4.663 4.480 -0.053 0.000 0.347 509 M C -1.840 174.399 176.300 -0.102 0.000 1.173 509 M CA -2.082 53.172 55.300 -0.077 0.000 1.147 509 M CB -0.336 32.221 32.600 -0.072 0.000 1.547 509 M HN 0.226 nan 8.290 nan 0.000 0.455 510 P HA 0.299 nan 4.420 nan 0.000 0.277 510 P C -0.801 176.422 177.300 -0.128 0.000 1.271 510 P CA -0.406 62.613 63.100 -0.134 0.000 0.795 510 P CB 0.690 32.300 31.700 -0.151 0.000 1.101 511 S N -1.255 114.355 115.700 -0.150 0.000 2.677 511 S HA 0.588 5.026 4.470 -0.053 0.000 0.304 511 S C -0.658 173.851 174.600 -0.153 0.000 1.108 511 S CA -0.841 57.282 58.200 -0.128 0.000 0.944 511 S CB 1.884 65.010 63.200 -0.124 0.000 1.127 511 S HN 0.508 nan 8.310 nan 0.000 0.511 512 K N 0.791 121.124 120.400 -0.111 0.000 2.244 512 K HA 0.410 4.699 4.320 -0.053 0.000 0.260 512 K C -0.914 175.625 176.600 -0.101 0.000 0.951 512 K CA -0.581 55.645 56.287 -0.102 0.000 0.826 512 K CB 1.290 33.755 32.500 -0.058 0.000 1.108 512 K HN 0.728 nan 8.250 nan 0.000 0.433 513 K N 3.995 124.323 120.400 -0.121 0.000 2.118 513 K HA 0.325 4.613 4.320 -0.053 0.000 0.267 513 K C -1.366 175.171 176.600 -0.105 0.000 0.991 513 K CA -0.746 55.475 56.287 -0.109 0.000 0.916 513 K CB 0.816 33.245 32.500 -0.119 0.000 1.041 513 K HN 0.410 nan 8.250 nan 0.000 0.455 514 L N 4.221 125.384 121.223 -0.100 0.000 2.485 514 L HA 0.403 4.711 4.340 -0.053 0.000 0.260 514 L C -1.375 175.477 176.870 -0.030 0.000 0.998 514 L CA 0.056 54.866 54.840 -0.050 0.000 0.883 514 L CB 0.987 43.094 42.059 0.080 0.000 1.196 514 L HN 0.826 nan 8.230 nan 0.000 0.443 515 D N 2.165 122.314 120.400 -0.418 0.000 2.904 515 D HA 0.531 5.139 4.640 -0.053 0.000 0.290 515 D C -1.438 174.549 176.300 -0.521 0.000 1.180 515 D CA -0.160 53.547 54.000 -0.488 0.000 1.065 515 D CB 2.309 42.782 40.800 -0.545 0.000 1.386 515 D HN 0.149 nan 8.370 nan 0.000 0.599 516 F N -0.073 119.629 119.950 -0.414 0.000 2.626 516 F HA 0.658 5.153 4.527 -0.053 0.000 0.311 516 F C -0.627 175.273 175.800 0.167 0.000 1.088 516 F CA -1.030 56.807 58.000 -0.272 0.000 0.949 516 F CB 0.741 39.139 39.000 -1.005 0.000 1.322 516 F HN 0.242 nan 8.300 nan 0.000 0.461 517 I N -0.264 120.607 120.570 0.501 0.000 3.206 517 I HA 0.718 4.857 4.170 -0.053 0.000 0.313 517 I C -1.301 175.048 176.117 0.387 0.000 1.103 517 I CA -1.320 60.204 61.300 0.373 0.000 0.985 517 I CB 2.205 40.380 38.000 0.290 0.000 1.240 517 I HN 0.427 nan 8.210 nan 0.000 0.464 518 I N 3.744 124.479 120.570 0.275 0.000 2.354 518 I HA 0.532 4.670 4.170 -0.053 0.000 0.292 518 I C -0.562 175.705 176.117 0.249 0.000 0.989 518 I CA -0.509 60.934 61.300 0.239 0.000 1.188 518 I CB 1.073 39.164 38.000 0.152 0.000 1.342 518 I HN 0.494 nan 8.210 nan 0.000 0.457 519 L N 6.506 127.942 121.223 0.356 0.000 2.408 519 L HA 0.474 4.782 4.340 -0.053 0.000 0.268 519 L C -0.157 176.868 176.870 0.258 0.000 0.986 519 L CA -0.832 54.183 54.840 0.291 0.000 0.820 519 L CB 1.752 44.001 42.059 0.316 0.000 1.303 519 L HN 0.568 nan 8.230 nan 0.000 0.411 520 N N 1.949 120.731 118.700 0.136 0.000 2.735 520 N HA -0.215 4.493 4.740 -0.053 0.000 0.248 520 N C -0.001 175.546 175.510 0.062 0.000 1.083 520 N CA 1.211 54.312 53.050 0.085 0.000 0.703 520 N CB -1.218 37.324 38.487 0.090 0.000 1.005 520 N HN 0.886 nan 8.380 nan 0.000 0.550 521 E N -2.612 117.624 120.200 0.058 0.000 2.539 521 E HA -0.244 4.074 4.350 -0.053 0.000 0.253 521 E C -0.660 175.942 176.600 0.003 0.000 1.145 521 E CA 1.433 57.852 56.400 0.032 0.000 0.738 521 E CB -1.382 28.327 29.700 0.015 0.000 1.308 521 E HN 0.566 nan 8.360 nan 0.000 0.409 522 T N 0.086 114.642 114.554 0.003 0.000 2.907 522 T HA 0.389 4.707 4.350 -0.053 0.000 0.292 522 T C -0.219 174.352 174.700 -0.216 0.000 1.043 522 T CA -0.769 61.249 62.100 -0.138 0.000 1.003 522 T CB 2.230 70.970 68.868 -0.214 0.000 1.084 522 T HN 0.019 nan 8.240 nan 0.000 0.483 523 K N 1.575 121.772 120.400 -0.338 0.000 2.258 523 K HA 0.524 4.812 4.320 -0.053 0.000 0.284 523 K C -1.468 174.878 176.600 -0.424 0.000 1.051 523 K CA -0.301 55.808 56.287 -0.295 0.000 0.923 523 K CB 0.357 32.638 32.500 -0.365 0.000 1.046 523 K HN 0.374 nan 8.250 nan 0.000 0.474 524 F N 3.165 123.188 119.950 0.123 0.000 2.539 524 F HA 0.346 4.841 4.527 -0.053 0.000 0.318 524 F C -0.901 175.042 175.800 0.239 0.000 1.135 524 F CA -0.612 57.498 58.000 0.183 0.000 0.915 524 F CB 1.018 40.132 39.000 0.190 0.000 1.176 524 F HN 0.472 nan 8.300 nan 0.000 0.440 525 W N 4.004 125.511 121.300 0.346 0.000 2.438 525 W HA 0.571 5.200 4.660 -0.052 0.000 0.324 525 W C -0.707 176.027 176.519 0.358 0.000 1.119 525 W CA -0.709 56.840 57.345 0.340 0.000 1.221 525 W CB 0.952 30.538 29.460 0.211 0.000 1.253 525 W HN 0.441 nan 8.180 nan 0.000 0.555 526 Y N -0.155 120.472 120.300 0.545 0.000 2.609 526 Y HA 0.676 5.194 4.550 -0.053 0.000 0.342 526 Y C -0.970 175.136 175.900 0.344 0.000 1.058 526 Y CA -1.895 56.498 58.100 0.489 0.000 1.055 526 Y CB 1.274 40.139 38.460 0.675 0.000 1.292 526 Y HN 0.541 nan 8.280 nan 0.000 0.476 527 Q N 2.500 122.505 119.800 0.342 0.000 2.372 527 Q HA 0.699 5.007 4.340 -0.053 0.000 0.273 527 Q C -1.825 174.297 176.000 0.203 0.000 1.078 527 Q CA -1.076 54.812 55.803 0.143 0.000 0.806 527 Q CB 3.026 31.829 28.738 0.108 0.000 1.332 527 Q HN 0.886 nan 8.270 nan 0.000 0.435 528 M N 3.258 122.911 119.600 0.088 0.000 2.253 528 M HA 0.443 4.891 4.480 -0.053 0.000 0.314 528 M C -1.142 175.099 176.300 -0.099 0.000 1.019 528 M CA -0.739 54.556 55.300 -0.007 0.000 0.932 528 M CB 2.085 34.650 32.600 -0.060 0.000 1.606 528 M HN 0.681 nan 8.290 nan 0.000 0.430 529 I N 4.149 124.659 120.570 -0.101 0.000 2.395 529 I HA 0.295 4.433 4.170 -0.053 0.000 0.289 529 I C -0.768 175.211 176.117 -0.231 0.000 1.023 529 I CA -0.025 61.185 61.300 -0.150 0.000 1.350 529 I CB 0.693 38.623 38.000 -0.116 0.000 1.409 529 I HN 0.521 nan 8.210 nan 0.000 0.507 530 L N 8.693 129.732 121.223 -0.307 0.000 2.341 530 L HA 0.515 4.823 4.340 -0.053 0.000 0.278 530 L C -2.313 174.369 176.870 -0.313 0.000 1.005 530 L CA -2.048 52.502 54.840 -0.483 0.000 0.818 530 L CB 1.555 43.133 42.059 -0.802 0.000 1.259 530 L HN 0.304 nan 8.230 nan 0.000 0.418 531 P HA 0.028 nan 4.420 nan 0.000 0.266 531 P C -2.432 174.857 177.300 -0.018 0.000 1.193 531 P CA -0.724 62.348 63.100 -0.048 0.000 0.770 531 P CB -0.310 31.464 31.700 0.124 0.000 0.836 532 P HA -0.057 nan 4.420 nan 0.000 0.269 532 P C -0.412 176.867 177.300 -0.035 0.000 1.217 532 P CA 0.366 63.374 63.100 -0.153 0.000 0.783 532 P CB -0.241 31.302 31.700 -0.261 0.000 0.898 533 H N -2.442 116.682 119.070 0.091 0.000 2.604 533 H HA -0.221 4.303 4.556 -0.053 0.000 0.321 533 H C 0.101 175.513 175.328 0.140 0.000 1.132 533 H CA -0.261 55.843 56.048 0.092 0.000 1.129 533 H CB -2.155 27.649 29.762 0.072 0.000 1.526 533 H HN 0.290 nan 8.280 nan 0.000 0.415 534 F N 1.770 121.734 119.950 0.024 0.000 2.563 534 F HA 0.157 4.652 4.527 -0.053 0.000 0.363 534 F C 0.570 176.379 175.800 0.015 0.000 1.123 534 F CA -0.201 57.761 58.000 -0.063 0.000 1.307 534 F CB 0.667 39.532 39.000 -0.226 0.000 1.115 534 F HN 0.298 nan 8.300 nan 0.000 0.592 535 D N 5.384 125.360 120.400 -0.706 0.000 2.389 535 D HA 0.118 4.726 4.640 -0.053 0.000 0.256 535 D C 0.639 176.534 176.300 -0.675 0.000 1.239 535 D CA -0.355 53.378 54.000 -0.444 0.000 0.925 535 D CB 1.130 41.873 40.800 -0.095 0.000 1.145 535 D HN 0.705 nan 8.370 nan 0.000 0.542 536 K N 0.501 120.515 120.400 -0.645 0.000 2.160 536 K HA -0.182 4.106 4.320 -0.053 0.000 0.206 536 K C 1.372 177.917 176.600 -0.092 0.000 1.047 536 K CA 1.430 57.495 56.287 -0.369 0.000 0.930 536 K CB -0.121 32.281 32.500 -0.165 0.000 0.720 536 K HN 0.162 nan 8.250 nan 0.000 0.450 537 S N 0.264 115.909 115.700 -0.092 0.000 2.650 537 S HA 0.063 4.501 4.470 -0.053 0.000 0.219 537 S C 0.053 174.644 174.600 -0.016 0.000 0.960 537 S CA -0.468 57.715 58.200 -0.029 0.000 0.925 537 S CB -0.037 63.141 63.200 -0.038 0.000 0.775 537 S HN 0.242 nan 8.310 nan 0.000 0.525 538 K N 0.686 121.086 120.400 0.001 0.000 2.340 538 K HA 0.455 4.743 4.320 -0.053 0.000 0.244 538 K C -0.994 175.671 176.600 0.108 0.000 0.973 538 K CA -0.803 55.477 56.287 -0.012 0.000 0.828 538 K CB 1.577 33.999 32.500 -0.130 0.000 1.226 538 K HN 0.033 nan 8.250 nan 0.000 0.437 539 K N 2.230 122.636 120.400 0.011 0.000 2.316 539 K HA 0.274 4.562 4.320 -0.053 0.000 0.267 539 K C -1.157 175.464 176.600 0.035 0.000 1.025 539 K CA -0.485 55.858 56.287 0.092 0.000 0.896 539 K CB 0.691 33.194 32.500 0.006 0.000 1.124 539 K HN 0.361 nan 8.250 nan 0.000 0.451 540 Y N 2.990 123.323 120.300 0.055 0.000 2.376 540 Y HA 0.275 4.794 4.550 -0.053 0.000 0.325 540 Y C -1.896 173.957 175.900 -0.078 0.000 1.199 540 Y CA -2.675 55.438 58.100 0.022 0.000 1.206 540 Y CB 0.413 38.954 38.460 0.135 0.000 1.229 540 Y HN 0.484 nan 8.280 nan 0.000 0.480 541 P HA 0.245 nan 4.420 nan 0.000 0.278 541 P C -1.170 176.003 177.300 -0.211 0.000 1.238 541 P CA -0.287 62.592 63.100 -0.369 0.000 0.794 541 P CB 1.471 32.718 31.700 -0.755 0.000 0.955 542 L N 3.034 124.130 121.223 -0.212 0.000 2.406 542 L HA 0.471 4.779 4.340 -0.053 0.000 0.272 542 L C -1.017 175.998 176.870 0.241 0.000 0.980 542 L CA -0.890 53.975 54.840 0.042 0.000 0.831 542 L CB 1.323 43.414 42.059 0.054 0.000 1.253 542 L HN 0.257 nan 8.230 nan 0.000 0.406 543 L N 5.790 127.186 121.223 0.289 0.000 2.295 543 L HA 0.478 4.787 4.340 -0.053 0.000 0.285 543 L C -1.101 175.993 176.870 0.373 0.000 1.035 543 L CA -0.695 54.378 54.840 0.387 0.000 0.806 543 L CB 1.738 43.969 42.059 0.286 0.000 1.214 543 L HN 0.686 nan 8.230 nan 0.000 0.426 544 L N 5.038 126.532 121.223 0.452 0.000 2.262 544 L HA 0.302 4.611 4.340 -0.053 0.000 0.288 544 L C -0.454 176.661 176.870 0.408 0.000 1.035 544 L CA -0.451 54.643 54.840 0.424 0.000 0.820 544 L CB 1.019 43.355 42.059 0.461 0.000 1.204 544 L HN 0.551 nan 8.230 nan 0.000 0.424 545 D N 4.340 124.969 120.400 0.383 0.000 2.336 545 D HA 0.180 4.788 4.640 -0.053 0.000 0.249 545 D C -0.989 175.426 176.300 0.190 0.000 1.213 545 D CA 0.223 54.396 54.000 0.288 0.000 0.870 545 D CB 1.407 42.428 40.800 0.369 0.000 1.076 545 D HN 0.202 nan 8.370 nan 0.000 0.483 546 V N 5.746 125.695 119.914 0.059 0.000 2.604 546 V HA 0.296 4.384 4.120 -0.053 0.000 0.305 546 V C -0.594 175.605 176.094 0.174 0.000 1.043 546 V CA -0.493 61.892 62.300 0.142 0.000 0.888 546 V CB 1.688 33.578 31.823 0.113 0.000 0.995 546 V HN 0.637 nan 8.190 nan 0.000 0.429 547 Y N 4.991 125.376 120.300 0.142 0.000 2.886 547 Y HA 0.508 5.026 4.550 -0.052 0.000 0.244 547 Y C 1.641 177.702 175.900 0.268 0.000 1.017 547 Y CA 1.280 59.493 58.100 0.188 0.000 1.389 547 Y CB 0.222 38.775 38.460 0.155 0.000 1.477 547 Y HN 0.811 nan 8.280 nan 0.000 0.466 548 A N 0.580 123.570 122.820 0.283 0.000 3.132 548 A HA -0.198 4.090 4.320 -0.053 0.000 0.266 548 A C 1.093 178.610 177.584 -0.111 0.000 1.216 548 A CA 0.986 53.125 52.037 0.170 0.000 0.985 548 A CB -2.538 16.602 19.000 0.233 0.000 1.102 548 A HN 0.908 nan 8.150 nan 0.000 0.833 549 G N -0.285 108.162 108.800 -0.589 0.000 2.594 549 G HA2 0.459 4.387 3.960 -0.053 0.000 0.243 549 G HA3 0.459 4.387 3.960 -0.053 0.000 0.243 549 G C -1.854 172.760 174.900 -0.476 0.000 1.229 549 G CA -0.438 43.803 45.100 -1.432 0.000 0.843 549 G HN 0.409 nan 8.290 nan 0.000 0.578 550 P HA 0.076 nan 4.420 nan 0.000 0.265 550 P C 0.479 177.672 177.300 -0.179 0.000 1.222 550 P CA 0.171 63.054 63.100 -0.361 0.000 0.767 550 P CB 0.683 31.891 31.700 -0.820 0.000 0.801 551 C N 2.528 121.794 119.300 -0.057 0.000 4.587 551 C HA -0.121 4.307 4.460 -0.053 0.000 0.278 551 C C 0.936 175.972 174.990 0.078 0.000 1.242 551 C CA 0.980 59.931 59.018 -0.112 0.000 1.990 551 C CB -2.505 25.037 27.740 -0.330 0.000 1.329 551 C HN 0.778 nan 8.230 nan 0.000 0.735 552 S N 0.027 115.830 115.700 0.172 0.000 2.707 552 S HA 0.726 5.164 4.470 -0.053 0.000 0.276 552 S C -0.612 174.169 174.600 0.302 0.000 1.179 552 S CA -0.057 58.326 58.200 0.304 0.000 0.992 552 S CB 1.783 65.216 63.200 0.387 0.000 1.030 552 S HN 0.844 nan 8.310 nan 0.000 0.554 553 Q N -0.311 119.679 119.800 0.317 0.000 2.487 553 Q HA 0.258 4.566 4.340 -0.053 0.000 0.234 553 Q C -0.998 175.132 176.000 0.217 0.000 0.828 553 Q CA -0.438 55.539 55.803 0.291 0.000 0.907 553 Q CB 0.929 29.900 28.738 0.388 0.000 1.462 553 Q HN 0.702 nan 8.270 nan 0.000 0.442 554 K N 0.656 121.182 120.400 0.210 0.000 2.358 554 K HA 0.313 4.601 4.320 -0.053 0.000 0.197 554 K C -0.176 176.530 176.600 0.178 0.000 1.025 554 K CA 0.290 56.689 56.287 0.186 0.000 1.104 554 K CB 1.342 33.979 32.500 0.229 0.000 0.855 554 K HN 0.475 nan 8.250 nan 0.000 0.531 555 A N 2.871 125.805 122.820 0.190 0.000 2.256 555 A HA 0.450 4.738 4.320 -0.053 0.000 0.317 555 A C -0.821 176.833 177.584 0.117 0.000 1.318 555 A CA -0.501 51.648 52.037 0.186 0.000 0.894 555 A CB 0.294 19.460 19.000 0.277 0.000 1.165 555 A HN 0.262 nan 8.150 nan 0.000 0.525 556 D N 0.079 120.521 120.400 0.069 0.000 2.671 556 D HA 0.221 4.830 4.640 -0.053 0.000 0.273 556 D C 0.238 176.537 176.300 -0.003 0.000 1.264 556 D CA 0.230 54.247 54.000 0.029 0.000 0.788 556 D CB 0.083 40.877 40.800 -0.009 0.000 1.324 556 D HN 0.234 nan 8.370 nan 0.000 0.424 557 T N -2.265 112.302 114.554 0.022 0.000 3.169 557 T HA 0.232 4.550 4.350 -0.053 0.000 0.250 557 T C 0.734 175.408 174.700 -0.043 0.000 1.111 557 T CA -0.243 61.875 62.100 0.030 0.000 1.010 557 T CB -0.350 68.581 68.868 0.104 0.000 0.984 557 T HN 0.302 nan 8.240 nan 0.000 0.537 558 V N 2.325 122.117 119.914 -0.202 0.000 2.583 558 V HA 0.455 4.543 4.120 -0.053 0.000 0.287 558 V C -0.314 175.732 176.094 -0.081 0.000 1.051 558 V CA -1.164 60.975 62.300 -0.268 0.000 1.010 558 V CB 0.567 32.042 31.823 -0.580 0.000 0.988 558 V HN 0.574 nan 8.190 nan 0.000 0.478 559 F N 7.907 127.767 119.950 -0.150 0.000 2.420 559 F HA 0.613 5.108 4.527 -0.053 0.000 0.352 559 F C 0.335 176.083 175.800 -0.086 0.000 1.108 559 F CA -0.297 57.639 58.000 -0.106 0.000 1.162 559 F CB 0.350 39.296 39.000 -0.090 0.000 1.118 559 F HN 0.451 nan 8.300 nan 0.000 0.510 560 R N 6.568 126.577 120.500 -0.818 0.000 2.744 560 R HA 0.575 4.883 4.340 -0.053 0.000 0.279 560 R C -1.603 174.242 176.300 -0.759 0.000 0.977 560 R CA -1.125 54.611 56.100 -0.608 0.000 0.906 560 R CB 2.171 32.306 30.300 -0.277 0.000 1.197 560 R HN 0.656 nan 8.270 nan 0.000 0.463 561 L N 3.523 124.503 121.223 -0.405 0.000 2.295 561 L HA 0.411 4.719 4.340 -0.053 0.000 0.281 561 L C -0.579 176.299 176.870 0.014 0.000 1.018 561 L CA -0.596 54.099 54.840 -0.242 0.000 0.841 561 L CB 0.623 42.682 42.059 -0.000 0.000 1.218 561 L HN 0.816 nan 8.230 nan 0.000 0.424 562 N N 0.227 118.856 118.700 -0.117 0.000 3.418 562 N HA 0.182 4.890 4.740 -0.053 0.000 0.316 562 N C 0.088 175.298 175.510 -0.499 0.000 1.601 562 N CA -0.868 52.013 53.050 -0.282 0.000 0.805 562 N CB 0.254 38.683 38.487 -0.097 0.000 1.873 562 N HN 0.282 nan 8.380 nan 0.000 0.615 563 W N 0.408 121.193 121.300 -0.858 0.000 2.358 563 W HA 0.228 4.856 4.660 -0.054 0.000 0.303 563 W C 2.076 178.542 176.519 -0.089 0.000 1.208 563 W CA 2.656 59.670 57.345 -0.551 0.000 1.274 563 W CB -1.027 28.218 29.460 -0.358 0.000 1.138 563 W HN 0.715 nan 8.180 nan 0.000 0.515 564 A N -0.331 122.452 122.820 -0.062 0.000 1.940 564 A HA -0.219 4.069 4.320 -0.053 0.000 0.219 564 A C 1.950 179.435 177.584 -0.165 0.000 1.176 564 A CA 2.565 54.514 52.037 -0.148 0.000 0.631 564 A CB -1.323 17.674 19.000 -0.004 0.000 0.814 564 A HN 0.298 nan 8.150 nan 0.000 0.446 565 T N -1.063 113.400 114.554 -0.151 0.000 2.635 565 T HA -0.259 4.059 4.350 -0.053 0.000 0.267 565 T C 1.800 176.524 174.700 0.041 0.000 1.040 565 T CA 1.917 63.894 62.100 -0.206 0.000 1.156 565 T CB -0.550 67.956 68.868 -0.604 0.000 0.863 565 T HN 0.673 nan 8.240 nan 0.000 0.430 566 Y N 2.141 122.529 120.300 0.146 0.000 2.114 566 Y HA -0.092 4.427 4.550 -0.053 0.000 0.284 566 Y C 2.034 177.923 175.900 -0.019 0.000 1.143 566 Y CA 1.015 59.224 58.100 0.181 0.000 1.135 566 Y CB -0.849 37.692 38.460 0.135 0.000 0.980 566 Y HN 0.138 nan 8.280 nan 0.000 0.499 567 L N 0.220 121.026 121.223 -0.694 0.000 2.012 567 L HA -0.258 4.051 4.340 -0.053 0.000 0.210 567 L C 2.865 179.496 176.870 -0.397 0.000 1.073 567 L CA 1.456 55.824 54.840 -0.786 0.000 0.748 567 L CB -1.185 40.471 42.059 -0.672 0.000 0.891 567 L HN 0.404 nan 8.230 nan 0.000 0.431 568 A N -1.027 121.646 122.820 -0.246 0.000 1.858 568 A HA -0.230 4.058 4.320 -0.053 0.000 0.216 568 A C 2.545 180.081 177.584 -0.080 0.000 1.190 568 A CA 2.144 54.100 52.037 -0.134 0.000 0.617 568 A CB -0.773 18.144 19.000 -0.139 0.000 0.827 568 A HN 0.360 nan 8.150 nan 0.000 0.443 569 S N -1.560 114.107 115.700 -0.055 0.000 2.345 569 S HA -0.110 4.329 4.470 -0.053 0.000 0.220 569 S C 2.023 176.649 174.600 0.044 0.000 1.031 569 S CA 2.210 60.425 58.200 0.026 0.000 0.996 569 S CB -0.373 62.908 63.200 0.135 0.000 0.882 569 S HN 0.608 nan 8.310 nan 0.000 0.445 570 T N 1.103 115.664 114.554 0.012 0.000 3.021 570 T HA 0.186 4.504 4.350 -0.053 0.000 0.245 570 T C 1.400 176.082 174.700 -0.031 0.000 1.028 570 T CA 0.478 62.606 62.100 0.046 0.000 1.139 570 T CB -0.055 68.933 68.868 0.201 0.000 0.884 570 T HN 0.300 nan 8.240 nan 0.000 0.457 571 E N 1.337 121.426 120.200 -0.185 0.000 2.472 571 E HA 0.148 4.466 4.350 -0.053 0.000 0.196 571 E C -0.090 176.487 176.600 -0.038 0.000 1.033 571 E CA -0.001 56.319 56.400 -0.134 0.000 0.886 571 E CB 0.043 29.575 29.700 -0.279 0.000 0.944 571 E HN 0.320 nan 8.360 nan 0.000 0.492 572 N N 0.657 119.352 118.700 -0.009 0.000 2.746 572 N HA -0.189 4.519 4.740 -0.053 0.000 0.250 572 N C -0.716 174.905 175.510 0.186 0.000 1.055 572 N CA 0.636 53.763 53.050 0.129 0.000 0.699 572 N CB -1.743 36.842 38.487 0.163 0.000 0.919 572 N HN 0.262 nan 8.380 nan 0.000 0.548 573 I N 0.904 121.512 120.570 0.063 0.000 2.433 573 I HA 0.359 4.498 4.170 -0.053 0.000 0.292 573 I C 0.835 176.961 176.117 0.015 0.000 1.001 573 I CA -0.805 60.530 61.300 0.059 0.000 1.119 573 I CB 1.473 39.487 38.000 0.022 0.000 1.289 573 I HN -0.014 nan 8.210 nan 0.000 0.438 574 I N 6.773 127.364 120.570 0.036 0.000 2.505 574 I HA 0.085 4.223 4.170 -0.053 0.000 0.287 574 I C -0.290 175.827 176.117 0.000 0.000 1.104 574 I CA -0.166 61.113 61.300 -0.034 0.000 1.387 574 I CB 0.477 38.469 38.000 -0.013 0.000 1.404 574 I HN 0.188 nan 8.210 nan 0.000 0.528 575 V N 6.866 126.766 119.914 -0.023 0.000 2.350 575 V HA 0.602 4.691 4.120 -0.053 0.000 0.276 575 V C 0.429 176.562 176.094 0.065 0.000 1.028 575 V CA -0.470 61.858 62.300 0.047 0.000 0.860 575 V CB 1.172 33.010 31.823 0.025 0.000 0.990 575 V HN 0.832 nan 8.190 nan 0.000 0.453 576 A N 4.002 126.902 122.820 0.132 0.000 2.337 576 A HA 0.888 5.176 4.320 -0.053 0.000 0.329 576 A C -0.143 177.614 177.584 0.287 0.000 1.146 576 A CA -0.442 51.676 52.037 0.135 0.000 0.800 576 A CB 1.583 20.576 19.000 -0.012 0.000 1.220 576 A HN 0.674 nan 8.150 nan 0.000 0.472 577 S N 0.141 116.044 115.700 0.337 0.000 2.542 577 S HA 0.805 5.243 4.470 -0.053 0.000 0.293 577 S C -1.501 173.441 174.600 0.570 0.000 1.089 577 S CA -0.283 58.156 58.200 0.398 0.000 0.961 577 S CB 1.254 64.632 63.200 0.297 0.000 1.062 577 S HN 0.793 nan 8.310 nan 0.000 0.483 578 F N 2.029 122.203 119.950 0.374 0.000 2.607 578 F HA 0.392 4.887 4.527 -0.053 0.000 0.322 578 F C -1.699 174.299 175.800 0.328 0.000 1.176 578 F CA -0.698 57.548 58.000 0.409 0.000 0.977 578 F CB 1.330 40.555 39.000 0.374 0.000 1.242 578 F HN 0.377 nan 8.300 nan 0.000 0.465 579 D N 4.938 125.175 120.400 -0.272 0.000 2.428 579 D HA 0.406 5.014 4.640 -0.053 0.000 0.221 579 D C 0.371 176.365 176.300 -0.509 0.000 1.123 579 D CA 0.219 54.109 54.000 -0.184 0.000 0.869 579 D CB 1.568 42.425 40.800 0.095 0.000 1.032 579 D HN 0.764 nan 8.370 nan 0.000 0.506 580 G N 1.459 109.985 108.800 -0.458 0.000 2.940 580 G HA2 0.287 4.215 3.960 -0.053 0.000 0.164 580 G HA3 0.287 4.215 3.960 -0.053 0.000 0.164 580 G C 0.098 174.941 174.900 -0.094 0.000 1.326 580 G CA -0.669 44.116 45.100 -0.525 0.000 1.020 580 G HN 0.280 nan 8.290 nan 0.000 0.586 581 R N -0.459 119.984 120.500 -0.095 0.000 2.537 581 R HA 0.381 4.689 4.340 -0.053 0.000 0.280 581 R C 1.248 177.656 176.300 0.179 0.000 1.058 581 R CA 1.405 57.594 56.100 0.148 0.000 1.057 581 R CB 0.582 30.971 30.300 0.149 0.000 0.973 581 R HN 1.032 nan 8.270 nan 0.000 0.438 582 G N 1.335 110.248 108.800 0.188 0.000 2.268 582 G HA2 -0.352 3.576 3.960 -0.053 0.000 0.240 582 G HA3 -0.352 3.576 3.960 -0.053 0.000 0.240 582 G C 0.241 175.202 174.900 0.103 0.000 1.010 582 G CA 0.261 45.454 45.100 0.155 0.000 0.618 582 G HN 0.726 nan 8.290 nan 0.000 0.516 583 S N 0.231 116.000 115.700 0.116 0.000 2.592 583 S HA 0.548 4.986 4.470 -0.053 0.000 0.256 583 S C 0.758 175.379 174.600 0.035 0.000 1.369 583 S CA 0.484 58.745 58.200 0.102 0.000 0.984 583 S CB 1.433 64.722 63.200 0.147 0.000 0.919 583 S HN 1.802 nan 8.310 nan 0.000 0.576 584 G N -1.624 107.166 108.800 -0.016 0.000 2.511 584 G HA2 0.546 4.475 3.960 -0.053 0.000 0.318 584 G HA3 0.546 4.475 3.960 -0.053 0.000 0.318 584 G C -1.130 173.642 174.900 -0.213 0.000 1.210 584 G CA -1.019 43.893 45.100 -0.313 0.000 0.969 584 G HN 0.926 nan 8.290 nan 0.000 0.484 585 Y N -2.113 118.232 120.300 0.075 0.000 4.912 585 Y HA -0.209 4.309 4.550 -0.052 0.000 0.252 585 Y C 1.305 177.251 175.900 0.077 0.000 0.965 585 Y CA 0.798 58.946 58.100 0.079 0.000 1.978 585 Y CB -2.127 36.392 38.460 0.098 0.000 1.477 585 Y HN 0.573 nan 8.280 nan 0.000 0.606 586 Q N 0.342 120.212 119.800 0.116 0.000 2.115 586 Q HA 0.525 4.833 4.340 -0.053 0.000 0.249 586 Q C 0.983 176.981 176.000 -0.004 0.000 0.830 586 Q CA 0.211 56.089 55.803 0.125 0.000 1.104 586 Q CB 1.463 30.269 28.738 0.113 0.000 1.207 586 Q HN 0.575 nan 8.270 nan 0.000 0.464 587 G N 0.809 109.518 108.800 -0.153 0.000 2.756 587 G HA2 -0.209 3.719 3.960 -0.053 0.000 0.678 587 G HA3 -0.209 3.719 3.960 -0.053 0.000 0.678 587 G C -0.526 174.070 174.900 -0.506 0.000 1.349 587 G CA -0.467 44.288 45.100 -0.576 0.000 0.847 587 G HN 0.215 nan 8.290 nan 0.000 0.548 588 D N -0.303 119.721 120.400 -0.627 0.000 2.346 588 D HA 0.072 4.681 4.640 -0.053 0.000 0.206 588 D C 2.170 178.153 176.300 -0.528 0.000 1.001 588 D CA 1.038 54.604 54.000 -0.724 0.000 0.871 588 D CB 0.193 40.509 40.800 -0.807 0.000 0.943 588 D HN 0.561 nan 8.370 nan 0.000 0.518 589 K N 0.773 120.944 120.400 -0.382 0.000 2.097 589 K HA -0.062 4.227 4.320 -0.053 0.000 0.206 589 K C 1.650 178.179 176.600 -0.119 0.000 1.049 589 K CA 1.154 57.315 56.287 -0.210 0.000 0.933 589 K CB -0.144 32.240 32.500 -0.192 0.000 0.717 589 K HN 0.111 nan 8.250 nan 0.000 0.442 590 I N -0.163 120.329 120.570 -0.130 0.000 2.429 590 I HA -0.093 4.045 4.170 -0.053 0.000 0.247 590 I C 2.526 178.654 176.117 0.018 0.000 1.099 590 I CA 0.700 62.004 61.300 0.007 0.000 1.422 590 I CB -0.119 37.908 38.000 0.044 0.000 1.112 590 I HN 0.290 nan 8.210 nan 0.000 0.430 591 M N 0.412 119.947 119.600 -0.108 0.000 2.067 591 M HA -0.249 4.199 4.480 -0.053 0.000 0.260 591 M C 2.093 178.459 176.300 0.110 0.000 1.069 591 M CA 1.968 57.235 55.300 -0.054 0.000 1.117 591 M CB -0.282 32.186 32.600 -0.220 0.000 1.334 591 M HN 0.247 nan 8.290 nan 0.000 0.407 592 H N -0.057 118.952 119.070 -0.103 0.000 2.556 592 H HA 0.222 4.747 4.556 -0.053 0.000 0.268 592 H C 1.896 177.281 175.328 0.094 0.000 0.996 592 H CA 0.761 56.763 56.048 -0.076 0.000 1.157 592 H CB -0.713 28.904 29.762 -0.242 0.000 1.355 592 H HN 0.515 nan 8.280 nan 0.000 0.597 593 A N 0.560 123.516 122.820 0.228 0.000 2.084 593 A HA -0.142 4.146 4.320 -0.053 0.000 0.221 593 A C 1.995 179.814 177.584 0.391 0.000 1.161 593 A CA 1.242 53.441 52.037 0.270 0.000 0.653 593 A CB -0.427 18.707 19.000 0.223 0.000 0.802 593 A HN 0.257 nan 8.150 nan 0.000 0.457 594 I N -0.640 120.125 120.570 0.324 0.000 3.956 594 I HA 0.098 4.237 4.170 -0.053 0.000 0.333 594 I C 0.552 176.774 176.117 0.176 0.000 1.302 594 I CA -0.473 60.968 61.300 0.235 0.000 1.122 594 I CB -0.491 37.633 38.000 0.207 0.000 1.013 594 I HN 0.259 nan 8.210 nan 0.000 0.405 595 N N 1.803 120.659 118.700 0.259 0.000 2.357 595 N HA -0.092 4.616 4.740 -0.053 0.000 0.257 595 N C 0.415 175.978 175.510 0.089 0.000 1.250 595 N CA 0.609 53.809 53.050 0.250 0.000 0.862 595 N CB 0.129 38.737 38.487 0.201 0.000 1.066 595 N HN 0.113 nan 8.380 nan 0.000 0.468 596 R N 0.885 121.418 120.500 0.054 0.000 3.741 596 R HA -0.232 4.076 4.340 -0.053 0.000 0.292 596 R C -0.177 176.073 176.300 -0.083 0.000 1.176 596 R CA 0.776 56.873 56.100 -0.005 0.000 0.794 596 R CB -1.137 29.168 30.300 0.009 0.000 1.213 596 R HN 0.642 nan 8.270 nan 0.000 0.494 597 R N 0.312 120.755 120.500 -0.095 0.000 2.522 597 R HA 0.179 4.487 4.340 -0.053 0.000 0.418 597 R C -0.400 175.930 176.300 0.049 0.000 0.973 597 R CA -0.271 55.641 56.100 -0.313 0.000 1.096 597 R CB 0.515 30.588 30.300 -0.379 0.000 1.449 597 R HN 0.047 nan 8.270 nan 0.000 0.622 598 L N -0.099 121.243 121.223 0.199 0.000 2.490 598 L HA 0.132 4.440 4.340 -0.053 0.000 0.274 598 L C 1.423 178.584 176.870 0.485 0.000 1.201 598 L CA 1.267 56.263 54.840 0.260 0.000 0.869 598 L CB 0.544 42.620 42.059 0.027 0.000 1.123 598 L HN 0.594 nan 8.230 nan 0.000 0.484 599 G N 1.492 110.556 108.800 0.440 0.000 2.238 599 G HA2 -0.272 3.656 3.960 -0.053 0.000 0.217 599 G HA3 -0.272 3.656 3.960 -0.053 0.000 0.217 599 G C 0.600 175.584 174.900 0.139 0.000 0.996 599 G CA 0.277 45.569 45.100 0.319 0.000 0.632 599 G HN 0.614 nan 8.290 nan 0.000 0.503 600 T N 0.924 115.525 114.554 0.078 0.000 3.160 600 T HA 0.319 4.638 4.350 -0.053 0.000 0.210 600 T C 1.733 176.422 174.700 -0.018 0.000 0.940 600 T CA 1.375 63.398 62.100 -0.127 0.000 1.985 600 T CB -0.408 68.123 68.868 -0.561 0.000 1.524 600 T HN 0.050 nan 8.240 nan 0.000 0.428 601 F N 2.535 122.538 119.950 0.089 0.000 2.234 601 F HA 0.051 4.546 4.527 -0.053 0.000 0.299 601 F C 2.668 178.511 175.800 0.071 0.000 1.087 601 F CA 0.582 58.621 58.000 0.066 0.000 1.340 601 F CB -0.776 38.263 39.000 0.064 0.000 1.031 601 F HN 0.408 nan 8.300 nan 0.000 0.500 602 E N 0.591 120.954 120.200 0.271 0.000 2.358 602 E HA -0.075 4.243 4.350 -0.053 0.000 0.195 602 E C 1.927 178.637 176.600 0.183 0.000 1.010 602 E CA 1.004 57.538 56.400 0.223 0.000 0.856 602 E CB -0.696 29.145 29.700 0.234 0.000 0.795 602 E HN 0.291 nan 8.360 nan 0.000 0.504 603 V N 1.662 121.658 119.914 0.137 0.000 2.302 603 V HA -0.179 3.909 4.120 -0.053 0.000 0.243 603 V C 2.228 178.362 176.094 0.066 0.000 1.036 603 V CA 1.940 64.275 62.300 0.058 0.000 1.020 603 V CB -0.595 31.217 31.823 -0.019 0.000 0.657 603 V HN 0.180 nan 8.190 nan 0.000 0.453 604 E N 0.295 120.553 120.200 0.097 0.000 2.160 604 E HA -0.255 4.064 4.350 -0.053 0.000 0.195 604 E C 1.816 178.448 176.600 0.054 0.000 0.991 604 E CA 1.562 58.014 56.400 0.088 0.000 0.810 604 E CB -0.163 29.630 29.700 0.155 0.000 0.742 604 E HN 0.570 nan 8.360 nan 0.000 0.466 605 D N 0.002 120.452 120.400 0.083 0.000 2.194 605 D HA -0.090 4.518 4.640 -0.053 0.000 0.204 605 D C 1.991 178.281 176.300 -0.016 0.000 0.964 605 D CA 0.576 54.605 54.000 0.049 0.000 0.846 605 D CB -0.023 40.840 40.800 0.104 0.000 0.962 605 D HN 0.093 nan 8.370 nan 0.000 0.490 606 Q N 0.406 120.253 119.800 0.079 0.000 2.050 606 Q HA -0.083 4.225 4.340 -0.053 0.000 0.202 606 Q C 2.563 178.546 176.000 -0.028 0.000 0.980 606 Q CA 0.710 56.536 55.803 0.039 0.000 0.840 606 Q CB -0.316 28.496 28.738 0.124 0.000 0.898 606 Q HN 0.418 nan 8.270 nan 0.000 0.424 607 I N 0.967 121.558 120.570 0.035 0.000 2.208 607 I HA -0.248 3.891 4.170 -0.053 0.000 0.245 607 I C 2.419 178.462 176.117 -0.124 0.000 1.097 607 I CA 1.055 62.400 61.300 0.073 0.000 1.363 607 I CB -0.278 37.773 38.000 0.084 0.000 1.051 607 I HN 0.152 nan 8.210 nan 0.000 0.413 608 E N 1.039 121.121 120.200 -0.195 0.000 2.051 608 E HA -0.198 4.120 4.350 -0.053 0.000 0.192 608 E C 2.361 178.650 176.600 -0.518 0.000 0.991 608 E CA 1.484 57.715 56.400 -0.282 0.000 0.799 608 E CB -0.202 29.366 29.700 -0.219 0.000 0.748 608 E HN 0.476 nan 8.360 nan 0.000 0.449 609 A N 1.297 123.629 122.820 -0.814 0.000 1.917 609 A HA -0.188 4.100 4.320 -0.053 0.000 0.219 609 A C 2.393 179.108 177.584 -1.449 0.000 1.182 609 A CA 2.367 53.568 52.037 -1.394 0.000 0.633 609 A CB -0.585 17.287 19.000 -1.880 0.000 0.819 609 A HN 0.296 nan 8.150 nan 0.000 0.448 610 A N -0.564 121.820 122.820 -0.728 0.000 1.873 610 A HA -0.115 4.173 4.320 -0.053 0.000 0.215 610 A C 2.204 179.533 177.584 -0.425 0.000 1.186 610 A CA 1.386 53.156 52.037 -0.445 0.000 0.616 610 A CB -0.484 18.351 19.000 -0.276 0.000 0.823 610 A HN 0.526 nan 8.150 nan 0.000 0.442 611 R N -0.422 119.847 120.500 -0.385 0.000 2.133 611 R HA -0.192 4.117 4.340 -0.053 0.000 0.247 611 R C 2.437 178.564 176.300 -0.287 0.000 1.151 611 R CA 1.863 57.789 56.100 -0.290 0.000 0.971 611 R CB -0.286 29.876 30.300 -0.230 0.000 0.866 611 R HN 0.672 nan 8.270 nan 0.000 0.447 612 Q N -0.794 118.762 119.800 -0.406 0.000 2.123 612 Q HA -0.090 4.218 4.340 -0.053 0.000 0.199 612 Q C 1.854 177.729 176.000 -0.207 0.000 0.966 612 Q CA 0.980 56.585 55.803 -0.331 0.000 0.845 612 Q CB 0.008 28.499 28.738 -0.413 0.000 0.907 612 Q HN 0.308 nan 8.270 nan 0.000 0.439 613 F N 1.202 120.988 119.950 -0.273 0.000 2.365 613 F HA -0.099 4.396 4.527 -0.053 0.000 0.300 613 F C 2.576 178.180 175.800 -0.328 0.000 1.090 613 F CA 1.012 58.831 58.000 -0.301 0.000 1.408 613 F CB -0.830 38.025 39.000 -0.241 0.000 1.060 613 F HN 0.037 nan 8.300 nan 0.000 0.534 614 S N -0.217 115.418 115.700 -0.109 0.000 2.388 614 S HA -0.098 4.340 4.470 -0.053 0.000 0.223 614 S C 1.891 176.389 174.600 -0.170 0.000 1.034 614 S CA 0.385 58.491 58.200 -0.157 0.000 0.963 614 S CB -0.452 62.652 63.200 -0.160 0.000 0.827 614 S HN 0.267 nan 8.310 nan 0.000 0.481 615 K N 1.080 121.390 120.400 -0.151 0.000 2.032 615 K HA -0.095 4.193 4.320 -0.053 0.000 0.218 615 K C 0.683 177.194 176.600 -0.149 0.000 1.054 615 K CA 1.153 57.364 56.287 -0.127 0.000 0.941 615 K CB -0.718 31.719 32.500 -0.105 0.000 0.720 615 K HN 0.409 nan 8.250 nan 0.000 0.449 616 M N 0.731 120.210 119.600 -0.201 0.000 2.243 616 M HA -0.098 4.350 4.480 -0.053 0.000 0.365 616 M C 1.098 177.149 176.300 -0.415 0.000 1.327 616 M CA 0.431 55.535 55.300 -0.326 0.000 0.918 616 M CB 0.396 32.646 32.600 -0.584 0.000 1.894 616 M HN 0.281 nan 8.290 nan 0.000 0.473 617 G N 3.188 111.862 108.800 -0.209 0.000 3.327 617 G HA2 0.257 4.185 3.960 -0.053 0.000 0.240 617 G HA3 0.257 4.185 3.960 -0.053 0.000 0.240 617 G C 0.222 175.137 174.900 0.025 0.000 1.222 617 G CA -0.288 44.768 45.100 -0.074 0.000 0.871 617 G HN 0.836 nan 8.290 nan 0.000 0.525 618 F N -1.812 118.174 119.950 0.060 0.000 2.791 618 F HA 0.599 5.094 4.527 -0.053 0.000 0.316 618 F C -0.596 175.293 175.800 0.147 0.000 1.134 618 F CA -1.296 56.768 58.000 0.106 0.000 1.222 618 F CB 0.253 39.330 39.000 0.129 0.000 1.034 618 F HN -0.155 nan 8.300 nan 0.000 0.516 619 V N 1.422 121.265 119.914 -0.119 0.000 2.444 619 V HA 0.231 4.319 4.120 -0.053 0.000 0.294 619 V C -0.828 175.225 176.094 -0.068 0.000 1.022 619 V CA -0.704 61.554 62.300 -0.070 0.000 0.850 619 V CB 1.586 33.295 31.823 -0.191 0.000 0.992 619 V HN 0.133 nan 8.190 nan 0.000 0.426 620 D N 3.903 124.273 120.400 -0.049 0.000 2.342 620 D HA 0.029 4.638 4.640 -0.053 0.000 0.260 620 D C 1.494 177.729 176.300 -0.110 0.000 1.278 620 D CA 0.153 54.101 54.000 -0.086 0.000 0.910 620 D CB 0.485 41.221 40.800 -0.108 0.000 1.079 620 D HN 0.707 nan 8.370 nan 0.000 0.496 621 N N 3.257 121.895 118.700 -0.102 0.000 2.520 621 N HA -0.161 4.547 4.740 -0.053 0.000 0.185 621 N C 0.819 176.269 175.510 -0.099 0.000 1.068 621 N CA 0.328 53.310 53.050 -0.114 0.000 0.911 621 N CB 0.166 38.585 38.487 -0.113 0.000 0.961 621 N HN 0.339 nan 8.380 nan 0.000 0.446 622 K N 0.484 120.836 120.400 -0.080 0.000 2.228 622 K HA 0.070 4.358 4.320 -0.053 0.000 0.202 622 K C 0.535 177.117 176.600 -0.031 0.000 1.051 622 K CA 0.566 56.824 56.287 -0.049 0.000 0.960 622 K CB 0.185 32.662 32.500 -0.039 0.000 0.743 622 K HN 0.174 nan 8.250 nan 0.000 0.458 623 R N 1.344 121.781 120.500 -0.105 0.000 2.664 623 R HA 0.352 4.660 4.340 -0.053 0.000 0.281 623 R C -0.858 175.305 176.300 -0.230 0.000 1.383 623 R CA -0.104 55.888 56.100 -0.181 0.000 1.563 623 R CB 0.527 30.525 30.300 -0.503 0.000 1.131 623 R HN 0.017 nan 8.270 nan 0.000 0.599 624 I N 1.591 122.200 120.570 0.064 0.000 2.382 624 I HA 0.454 4.592 4.170 -0.053 0.000 0.286 624 I C 0.052 176.461 176.117 0.487 0.000 1.002 624 I CA -0.644 60.752 61.300 0.159 0.000 1.135 624 I CB 1.778 39.730 38.000 -0.081 0.000 1.288 624 I HN 0.383 nan 8.210 nan 0.000 0.448 625 A N 7.313 130.544 122.820 0.686 0.000 2.312 625 A HA 0.943 5.231 4.320 -0.053 0.000 0.310 625 A C -0.896 177.047 177.584 0.599 0.000 1.139 625 A CA -0.683 51.732 52.037 0.630 0.000 0.886 625 A CB 2.132 21.379 19.000 0.412 0.000 1.350 625 A HN 0.733 nan 8.150 nan 0.000 0.479 626 I N -0.070 120.754 120.570 0.424 0.000 2.743 626 I HA 0.574 4.712 4.170 -0.053 0.000 0.292 626 I C -2.009 174.354 176.117 0.410 0.000 1.343 626 I CA -0.579 60.909 61.300 0.312 0.000 1.038 626 I CB 1.489 39.406 38.000 -0.140 0.000 1.311 626 I HN 0.964 nan 8.210 nan 0.000 0.426 627 W N 7.130 128.559 121.300 0.216 0.000 3.062 627 W HA 0.912 5.540 4.660 -0.054 0.000 0.336 627 W C -1.336 175.329 176.519 0.243 0.000 1.224 627 W CA -1.142 56.343 57.345 0.232 0.000 1.159 627 W CB 1.164 30.821 29.460 0.328 0.000 1.454 627 W HN 0.844 nan 8.180 nan 0.000 0.569 628 G N 0.330 108.991 108.800 -0.231 0.000 2.579 628 G HA2 0.397 4.325 3.960 -0.053 0.000 0.292 628 G HA3 0.397 4.325 3.960 -0.053 0.000 0.292 628 G C -2.792 171.996 174.900 -0.186 0.000 1.484 628 G CA -0.791 44.035 45.100 -0.456 0.000 0.813 628 G HN 0.602 nan 8.290 nan 0.000 0.515 629 W N 1.546 122.681 121.300 -0.275 0.000 2.529 629 W HA 0.601 5.230 4.660 -0.052 0.000 0.321 629 W C 0.792 177.351 176.519 0.067 0.000 1.047 629 W CA 0.508 57.804 57.345 -0.081 0.000 1.216 629 W CB 1.730 31.152 29.460 -0.063 0.000 1.357 629 W HN 1.209 nan 8.180 nan 0.000 0.489 630 S N 3.009 118.918 115.700 0.349 0.000 4.141 630 S HA -0.415 4.023 4.470 -0.053 0.000 0.622 630 S C 1.130 175.803 174.600 0.121 0.000 1.894 630 S CA 1.602 60.037 58.200 0.392 0.000 4.238 630 S CB -1.817 61.822 63.200 0.730 0.000 0.205 630 S HN 0.683 nan 8.310 nan 0.000 0.486 631 Y N 2.501 122.747 120.300 -0.090 0.000 2.165 631 Y HA -0.006 4.512 4.550 -0.053 0.000 0.286 631 Y C 2.449 178.206 175.900 -0.239 0.000 1.155 631 Y CA 2.754 60.676 58.100 -0.296 0.000 1.164 631 Y CB -1.087 36.935 38.460 -0.729 0.000 0.978 631 Y HN 0.566 nan 8.280 nan 0.000 0.513 632 G N -1.036 107.722 108.800 -0.070 0.000 2.469 632 G HA2 -0.291 3.637 3.960 -0.053 0.000 0.220 632 G HA3 -0.291 3.637 3.960 -0.053 0.000 0.220 632 G C 1.848 176.743 174.900 -0.008 0.000 1.136 632 G CA 0.959 46.076 45.100 0.028 0.000 0.759 632 G HN 0.579 nan 8.290 nan 0.000 0.562 633 G N -0.950 107.849 108.800 -0.001 0.000 2.603 633 G HA2 -0.025 3.904 3.960 -0.053 0.000 0.214 633 G HA3 -0.025 3.904 3.960 -0.053 0.000 0.214 633 G C 1.511 176.398 174.900 -0.021 0.000 1.140 633 G CA 0.761 45.853 45.100 -0.013 0.000 0.800 633 G HN 0.439 nan 8.290 nan 0.000 0.533 634 Y N 1.061 121.227 120.300 -0.224 0.000 2.314 634 Y HA 0.028 4.546 4.550 -0.053 0.000 0.293 634 Y C 2.442 178.195 175.900 -0.244 0.000 1.129 634 Y CA 1.033 58.941 58.100 -0.321 0.000 1.201 634 Y CB -0.046 38.050 38.460 -0.607 0.000 0.999 634 Y HN 0.022 nan 8.280 nan 0.000 0.541 635 V N -0.480 119.261 119.914 -0.288 0.000 2.302 635 V HA -0.249 3.840 4.120 -0.053 0.000 0.243 635 V C 2.282 178.236 176.094 -0.235 0.000 1.036 635 V CA 2.312 64.443 62.300 -0.282 0.000 1.020 635 V CB -1.019 30.788 31.823 -0.026 0.000 0.657 635 V HN 0.430 nan 8.190 nan 0.000 0.453 636 T N 0.185 114.661 114.554 -0.132 0.000 2.620 636 T HA -0.277 4.041 4.350 -0.053 0.000 0.267 636 T C 2.120 176.737 174.700 -0.138 0.000 1.044 636 T CA 2.316 64.353 62.100 -0.105 0.000 1.161 636 T CB -0.386 68.501 68.868 0.031 0.000 0.862 636 T HN 0.486 nan 8.240 nan 0.000 0.438 637 S N 0.841 116.489 115.700 -0.086 0.000 2.359 637 S HA -0.077 4.362 4.470 -0.053 0.000 0.224 637 S C 2.166 176.651 174.600 -0.191 0.000 1.035 637 S CA 1.154 59.330 58.200 -0.040 0.000 1.018 637 S CB -0.345 62.871 63.200 0.027 0.000 0.876 637 S HN 0.327 nan 8.310 nan 0.000 0.448 638 M N 0.820 120.218 119.600 -0.337 0.000 2.149 638 M HA -0.044 4.404 4.480 -0.053 0.000 0.261 638 M C 2.211 178.325 176.300 -0.309 0.000 1.064 638 M CA 1.111 56.196 55.300 -0.357 0.000 1.102 638 M CB -1.423 30.874 32.600 -0.506 0.000 1.369 638 M HN 0.181 nan 8.290 nan 0.000 0.408 639 V N 0.469 120.200 119.914 -0.305 0.000 2.427 639 V HA -0.214 3.874 4.120 -0.053 0.000 0.248 639 V C 2.472 178.361 176.094 -0.343 0.000 1.051 639 V CA 1.191 63.319 62.300 -0.286 0.000 1.048 639 V CB -0.546 31.066 31.823 -0.353 0.000 0.666 639 V HN 0.407 nan 8.190 nan 0.000 0.456 640 L N 0.316 121.265 121.223 -0.456 0.000 2.201 640 L HA -0.039 4.269 4.340 -0.053 0.000 0.212 640 L C 2.149 178.465 176.870 -0.923 0.000 1.105 640 L CA 1.499 55.974 54.840 -0.609 0.000 0.775 640 L CB -0.631 41.022 42.059 -0.676 0.000 0.913 640 L HN 0.482 nan 8.230 nan 0.000 0.440 641 G N -1.511 106.734 108.800 -0.925 0.000 3.337 641 G HA2 -0.013 3.915 3.960 -0.053 0.000 0.246 641 G HA3 -0.013 3.915 3.960 -0.053 0.000 0.246 641 G C 1.452 176.157 174.900 -0.325 0.000 1.131 641 G CA 0.546 45.190 45.100 -0.760 0.000 0.773 641 G HN 0.394 nan 8.290 nan 0.000 0.544 642 S N -0.510 115.032 115.700 -0.263 0.000 2.446 642 S HA 0.296 4.734 4.470 -0.053 0.000 0.225 642 S C 1.906 176.450 174.600 -0.094 0.000 1.016 642 S CA 1.109 59.226 58.200 -0.137 0.000 0.943 642 S CB -0.142 62.998 63.200 -0.099 0.000 0.786 642 S HN 1.399 nan 8.310 nan 0.000 0.508 643 G N 1.198 109.934 108.800 -0.107 0.000 2.149 643 G HA2 -0.298 3.631 3.960 -0.053 0.000 0.235 643 G HA3 -0.298 3.631 3.960 -0.053 0.000 0.235 643 G C 0.834 175.716 174.900 -0.029 0.000 1.018 643 G CA 0.823 45.886 45.100 -0.063 0.000 0.728 643 G HN 1.272 nan 8.290 nan 0.000 0.508 644 S N -0.865 114.829 115.700 -0.010 0.000 2.461 644 S HA 0.348 4.786 4.470 -0.053 0.000 0.228 644 S C 2.488 177.085 174.600 -0.004 0.000 1.005 644 S CA 1.518 59.721 58.200 0.005 0.000 0.942 644 S CB -0.060 63.166 63.200 0.044 0.000 0.776 644 S HN 2.355 nan 8.310 nan 0.000 0.514 645 G N 0.478 109.285 108.800 0.012 0.000 2.196 645 G HA2 -0.311 3.617 3.960 -0.053 0.000 0.268 645 G HA3 -0.311 3.617 3.960 -0.053 0.000 0.268 645 G C 0.804 175.683 174.900 -0.035 0.000 0.975 645 G CA 0.499 45.599 45.100 -0.000 0.000 0.648 645 G HN 0.659 nan 8.290 nan 0.000 0.538 646 V N -0.648 119.220 119.914 -0.077 0.000 2.427 646 V HA 0.158 4.246 4.120 -0.053 0.000 0.248 646 V C 1.343 177.195 176.094 -0.404 0.000 1.051 646 V CA 1.714 63.827 62.300 -0.313 0.000 1.048 646 V CB -0.405 31.071 31.823 -0.578 0.000 0.666 646 V HN 0.329 nan 8.190 nan 0.000 0.456 647 F N -0.377 119.582 119.950 0.015 0.000 2.421 647 F HA 0.398 4.893 4.527 -0.053 0.000 0.337 647 F C 1.112 176.956 175.800 0.073 0.000 1.105 647 F CA -0.576 57.462 58.000 0.063 0.000 1.049 647 F CB 1.313 40.356 39.000 0.071 0.000 1.139 647 F HN -0.279 nan 8.300 nan 0.000 0.479 648 K N 1.244 121.812 120.400 0.280 0.000 2.103 648 K HA 0.061 4.349 4.320 -0.053 0.000 0.204 648 K C -0.195 176.539 176.600 0.223 0.000 1.052 648 K CA 1.082 57.497 56.287 0.213 0.000 0.945 648 K CB 0.197 32.829 32.500 0.220 0.000 0.722 648 K HN 0.825 nan 8.250 nan 0.000 0.443 649 c N -3.999 114.774 118.600 0.288 0.000 3.216 649 c HA 0.815 5.353 4.570 -0.053 0.000 0.346 649 c C -0.300 174.005 174.090 0.357 0.000 1.384 649 c CA -0.755 55.754 56.329 0.300 0.000 1.208 649 c CB 0.983 43.604 42.510 0.185 0.000 1.483 649 c HN 0.335 nan 8.230 nan 0.000 0.453 650 G N -0.247 108.833 108.800 0.466 0.000 2.660 650 G HA2 0.764 4.692 3.960 -0.053 0.000 0.290 650 G HA3 0.764 4.692 3.960 -0.053 0.000 0.290 650 G C -1.970 173.202 174.900 0.453 0.000 1.432 650 G CA -0.787 44.578 45.100 0.442 0.000 0.807 650 G HN 1.051 nan 8.290 nan 0.000 0.485 651 I N 0.378 121.172 120.570 0.373 0.000 2.509 651 I HA 0.665 4.803 4.170 -0.053 0.000 0.293 651 I C 0.214 176.458 176.117 0.212 0.000 1.020 651 I CA -0.982 60.410 61.300 0.154 0.000 1.088 651 I CB 2.345 40.410 38.000 0.109 0.000 1.267 651 I HN 0.639 nan 8.210 nan 0.000 0.430 652 A N 5.959 128.809 122.820 0.051 0.000 2.318 652 A HA 0.809 5.097 4.320 -0.053 0.000 0.317 652 A C -0.774 176.717 177.584 -0.155 0.000 1.159 652 A CA -0.550 51.503 52.037 0.026 0.000 0.799 652 A CB 1.167 20.252 19.000 0.141 0.000 1.194 652 A HN 0.449 nan 8.150 nan 0.000 0.479 653 V N 1.831 121.577 119.914 -0.280 0.000 2.459 653 V HA 0.595 4.684 4.120 -0.053 0.000 0.295 653 V C 1.007 176.698 176.094 -0.671 0.000 1.029 653 V CA 0.177 62.093 62.300 -0.640 0.000 0.874 653 V CB 1.022 32.088 31.823 -1.262 0.000 0.985 653 V HN 2.097 nan 8.190 nan 0.000 0.438 654 A N 5.211 127.607 122.820 -0.706 0.000 2.364 654 A HA -0.111 4.177 4.320 -0.053 0.000 0.288 654 A C -1.725 175.710 177.584 -0.248 0.000 1.433 654 A CA 0.442 51.961 52.037 -0.862 0.000 0.757 654 A CB -1.566 17.050 19.000 -0.640 0.000 1.098 654 A HN 0.631 nan 8.150 nan 0.000 0.380 655 P HA 0.438 nan 4.420 nan 0.000 0.276 655 P C 0.204 177.488 177.300 -0.027 0.000 1.244 655 P CA -0.256 62.824 63.100 -0.033 0.000 0.801 655 P CB 1.274 32.971 31.700 -0.005 0.000 1.006 656 V N 1.633 121.429 119.914 -0.197 0.000 2.785 656 V HA 0.215 4.303 4.120 -0.053 0.000 0.300 656 V C 1.554 177.478 176.094 -0.283 0.000 1.062 656 V CA 0.864 62.924 62.300 -0.401 0.000 1.029 656 V CB 1.013 32.242 31.823 -0.989 0.000 1.024 656 V HN 0.888 nan 8.190 nan 0.000 0.477 657 S N 2.520 118.064 115.700 -0.260 0.000 2.648 657 S HA 0.332 4.770 4.470 -0.053 0.000 0.270 657 S C 0.348 174.810 174.600 -0.230 0.000 1.080 657 S CA -0.407 57.716 58.200 -0.129 0.000 1.159 657 S CB 0.403 63.590 63.200 -0.021 0.000 1.091 657 S HN 0.649 nan 8.310 nan 0.000 0.605 658 R N -0.520 119.741 120.500 -0.398 0.000 2.523 658 R HA 0.263 4.572 4.340 -0.053 0.000 0.278 658 R C -1.056 174.984 176.300 -0.433 0.000 1.150 658 R CA -0.494 55.300 56.100 -0.510 0.000 0.987 658 R CB 0.594 30.314 30.300 -0.966 0.000 1.232 658 R HN 0.358 nan 8.270 nan 0.000 0.424 659 W N 1.981 123.173 121.300 -0.181 0.000 2.425 659 W HA -0.080 4.548 4.660 -0.053 0.000 0.277 659 W C 1.372 178.005 176.519 0.191 0.000 1.231 659 W CA 0.602 57.916 57.345 -0.053 0.000 1.248 659 W CB 0.436 29.745 29.460 -0.252 0.000 1.117 659 W HN 0.681 nan 8.180 nan 0.000 0.568 660 E N -1.035 119.359 120.200 0.324 0.000 2.409 660 E HA -0.194 4.125 4.350 -0.053 0.000 0.198 660 E C 1.282 178.020 176.600 0.230 0.000 1.024 660 E CA 0.879 57.407 56.400 0.212 0.000 0.861 660 E CB -0.246 29.455 29.700 0.002 0.000 0.788 660 E HN 0.360 nan 8.360 nan 0.000 0.521 661 Y N -1.404 119.012 120.300 0.193 0.000 2.475 661 Y HA 0.042 4.561 4.550 -0.053 0.000 0.289 661 Y C 0.853 176.895 175.900 0.237 0.000 1.121 661 Y CA -0.217 57.971 58.100 0.146 0.000 1.257 661 Y CB -0.410 38.082 38.460 0.053 0.000 1.026 661 Y HN 0.041 nan 8.280 nan 0.000 0.555 662 Y N 1.652 122.140 120.300 0.313 0.000 2.436 662 Y HA 0.281 4.799 4.550 -0.053 0.000 0.336 662 Y C 0.383 176.508 175.900 0.376 0.000 1.318 662 Y CA -1.946 56.336 58.100 0.303 0.000 1.493 662 Y CB 0.188 38.838 38.460 0.318 0.000 1.547 662 Y HN 0.169 nan 8.280 nan 0.000 0.549 663 D N -0.954 119.109 120.400 -0.560 0.000 2.358 663 D HA 0.130 4.738 4.640 -0.053 0.000 0.244 663 D C 0.791 177.052 176.300 -0.066 0.000 1.163 663 D CA 0.282 54.052 54.000 -0.384 0.000 0.945 663 D CB 0.889 41.265 40.800 -0.707 0.000 1.152 663 D HN 0.445 nan 8.370 nan 0.000 0.451 664 S N 0.432 116.094 115.700 -0.063 0.000 2.371 664 S HA -0.149 4.289 4.470 -0.053 0.000 0.224 664 S C 1.908 176.521 174.600 0.022 0.000 1.029 664 S CA 0.831 59.052 58.200 0.036 0.000 0.978 664 S CB -0.794 62.435 63.200 0.047 0.000 0.833 664 S HN 0.400 nan 8.310 nan 0.000 0.466 665 V N 0.765 120.631 119.914 -0.081 0.000 2.307 665 V HA -0.128 3.961 4.120 -0.053 0.000 0.245 665 V C 2.283 178.293 176.094 -0.141 0.000 1.045 665 V CA 2.004 64.179 62.300 -0.208 0.000 1.024 665 V CB -0.962 30.585 31.823 -0.460 0.000 0.651 665 V HN 0.589 nan 8.190 nan 0.000 0.449 666 Y N 1.282 121.517 120.300 -0.109 0.000 2.184 666 Y HA -0.190 4.328 4.550 -0.053 0.000 0.290 666 Y C 2.674 178.575 175.900 0.002 0.000 1.129 666 Y CA 2.224 60.340 58.100 0.025 0.000 1.144 666 Y CB -0.544 38.112 38.460 0.326 0.000 0.995 666 Y HN 0.202 nan 8.280 nan 0.000 0.513 667 T N 0.324 115.080 114.554 0.337 0.000 2.674 667 T HA -0.181 4.137 4.350 -0.053 0.000 0.265 667 T C 1.563 176.215 174.700 -0.080 0.000 1.039 667 T CA 1.936 64.143 62.100 0.179 0.000 1.150 667 T CB -0.274 68.808 68.868 0.357 0.000 0.864 667 T HN 0.410 nan 8.240 nan 0.000 0.427 668 E N 0.458 120.643 120.200 -0.025 0.000 2.268 668 E HA -0.054 4.264 4.350 -0.053 0.000 0.195 668 E C 2.301 178.777 176.600 -0.206 0.000 0.995 668 E CA 0.364 56.746 56.400 -0.031 0.000 0.836 668 E CB -0.081 29.650 29.700 0.053 0.000 0.763 668 E HN 0.287 nan 8.360 nan 0.000 0.491 669 R N -0.109 120.111 120.500 -0.467 0.000 2.117 669 R HA -0.198 4.110 4.340 -0.053 0.000 0.243 669 R C 1.041 176.786 176.300 -0.924 0.000 1.143 669 R CA 1.648 57.266 56.100 -0.804 0.000 0.968 669 R CB 0.027 29.490 30.300 -1.394 0.000 0.863 669 R HN 0.257 nan 8.270 nan 0.000 0.444 670 Y N -2.930 117.061 120.300 -0.515 0.000 2.483 670 Y HA 0.253 4.771 4.550 -0.053 0.000 0.258 670 Y C 1.667 177.374 175.900 -0.321 0.000 1.083 670 Y CA -0.192 57.589 58.100 -0.531 0.000 1.283 670 Y CB 0.448 38.461 38.460 -0.746 0.000 1.178 670 Y HN -0.057 nan 8.280 nan 0.000 0.515 671 M N -0.445 119.042 119.600 -0.187 0.000 2.491 671 M HA 0.381 4.829 4.480 -0.053 0.000 0.259 671 M C 1.107 177.422 176.300 0.025 0.000 1.163 671 M CA 0.952 56.142 55.300 -0.182 0.000 1.109 671 M CB -0.207 32.069 32.600 -0.539 0.000 1.353 671 M HN 0.342 nan 8.290 nan 0.000 0.500 672 G N 1.750 110.579 108.800 0.049 0.000 2.645 672 G HA2 -0.237 3.691 3.960 -0.053 0.000 0.239 672 G HA3 -0.237 3.691 3.960 -0.053 0.000 0.239 672 G C -0.500 174.540 174.900 0.234 0.000 1.331 672 G CA -0.747 44.422 45.100 0.115 0.000 0.890 672 G HN 0.339 nan 8.290 nan 0.000 0.572 673 L N 1.903 123.216 121.223 0.150 0.000 2.395 673 L HA 0.410 4.718 4.340 -0.053 0.000 0.269 673 L C -1.440 175.413 176.870 -0.028 0.000 1.133 673 L CA -1.644 53.233 54.840 0.061 0.000 0.812 673 L CB 1.525 43.590 42.059 0.010 0.000 1.125 673 L HN 0.431 nan 8.230 nan 0.000 0.452 674 P HA 0.104 nan 4.420 nan 0.000 0.225 674 P C -0.740 176.408 177.300 -0.255 0.000 1.813 674 P CA -0.148 62.555 63.100 -0.661 0.000 1.013 674 P CB -0.215 30.731 31.700 -1.257 0.000 1.961 675 T N -1.982 112.509 114.554 -0.104 0.000 2.903 675 T HA 0.474 4.792 4.350 -0.053 0.000 0.299 675 T C -2.431 172.264 174.700 -0.009 0.000 1.093 675 T CA -2.482 59.586 62.100 -0.053 0.000 1.002 675 T CB 1.867 70.711 68.868 -0.039 0.000 1.127 675 T HN -0.297 nan 8.240 nan 0.000 0.488 676 P HA -0.157 nan 4.420 nan 0.000 0.217 676 P C 1.445 178.756 177.300 0.017 0.000 1.148 676 P CA 1.151 64.259 63.100 0.012 0.000 0.828 676 P CB 0.116 31.820 31.700 0.006 0.000 0.783 677 E N -1.200 119.006 120.200 0.010 0.000 2.285 677 E HA -0.109 4.209 4.350 -0.053 0.000 0.194 677 E C 1.196 177.808 176.600 0.021 0.000 0.997 677 E CA 0.905 57.312 56.400 0.012 0.000 0.845 677 E CB -0.509 29.193 29.700 0.005 0.000 0.782 677 E HN 0.287 nan 8.360 nan 0.000 0.491 678 D N 1.275 121.691 120.400 0.028 0.000 2.838 678 D HA 0.046 4.654 4.640 -0.053 0.000 0.245 678 D C 0.292 176.639 176.300 0.077 0.000 1.424 678 D CA 0.086 54.114 54.000 0.046 0.000 1.214 678 D CB 0.037 40.865 40.800 0.046 0.000 0.937 678 D HN 0.050 nan 8.370 nan 0.000 0.232 679 N N 0.190 118.962 118.700 0.119 0.000 2.536 679 N HA 0.043 4.751 4.740 -0.053 0.000 0.286 679 N C 0.890 176.564 175.510 0.274 0.000 1.577 679 N CA -0.099 53.067 53.050 0.194 0.000 0.883 679 N CB 0.710 39.338 38.487 0.234 0.000 1.390 679 N HN -0.008 nan 8.380 nan 0.000 0.491 680 L N 0.913 122.221 121.223 0.142 0.000 2.042 680 L HA -0.099 4.209 4.340 -0.053 0.000 0.210 680 L C 1.477 178.446 176.870 0.165 0.000 1.076 680 L CA 1.993 56.895 54.840 0.104 0.000 0.749 680 L CB -0.246 41.824 42.059 0.018 0.000 0.893 680 L HN 0.200 nan 8.230 nan 0.000 0.432 681 D N -1.662 118.824 120.400 0.144 0.000 2.117 681 D HA -0.239 4.369 4.640 -0.053 0.000 0.197 681 D C 1.998 178.405 176.300 0.177 0.000 0.987 681 D CA 1.674 55.754 54.000 0.133 0.000 0.829 681 D CB -0.147 40.717 40.800 0.106 0.000 0.961 681 D HN 0.556 nan 8.370 nan 0.000 0.460 682 H N -0.927 118.212 119.070 0.114 0.000 2.482 682 H HA 0.002 4.526 4.556 -0.053 0.000 0.286 682 H C 1.649 177.046 175.328 0.115 0.000 1.017 682 H CA 0.840 56.937 56.048 0.082 0.000 1.322 682 H CB -0.215 29.563 29.762 0.027 0.000 1.426 682 H HN 0.083 nan 8.280 nan 0.000 0.546 683 Y N 0.797 121.092 120.300 -0.009 0.000 2.040 683 Y HA -0.262 4.256 4.550 -0.053 0.000 0.275 683 Y C 2.450 178.317 175.900 -0.056 0.000 1.171 683 Y CA 2.121 60.212 58.100 -0.016 0.000 1.123 683 Y CB -0.077 38.400 38.460 0.028 0.000 0.963 683 Y HN 0.101 nan 8.280 nan 0.000 0.493 684 R N -0.217 120.367 120.500 0.141 0.000 2.280 684 R HA -0.086 4.222 4.340 -0.053 0.000 0.207 684 R C 1.690 177.999 176.300 0.015 0.000 1.043 684 R CA 0.860 56.993 56.100 0.056 0.000 1.006 684 R CB -0.281 30.049 30.300 0.051 0.000 0.885 684 R HN 0.226 nan 8.270 nan 0.000 0.467 685 N N -0.689 118.009 118.700 -0.003 0.000 2.415 685 N HA -0.049 4.659 4.740 -0.053 0.000 0.176 685 N C 0.302 175.785 175.510 -0.044 0.000 1.042 685 N CA 0.919 53.972 53.050 0.005 0.000 0.902 685 N CB 0.346 38.891 38.487 0.097 0.000 0.986 685 N HN 0.126 nan 8.380 nan 0.000 0.447 686 S N -1.138 114.477 115.700 -0.141 0.000 2.561 686 S HA 0.136 4.574 4.470 -0.053 0.000 0.245 686 S C 0.535 175.155 174.600 0.033 0.000 1.001 686 S CA -0.614 57.536 58.200 -0.084 0.000 1.002 686 S CB -0.701 62.341 63.200 -0.262 0.000 0.805 686 S HN 0.253 nan 8.310 nan 0.000 0.458 687 T N -1.548 112.997 114.554 -0.015 0.000 2.849 687 T HA 0.487 4.805 4.350 -0.053 0.000 0.284 687 T C 1.246 175.939 174.700 -0.013 0.000 1.004 687 T CA -0.579 61.504 62.100 -0.029 0.000 1.021 687 T CB 1.189 70.020 68.868 -0.061 0.000 1.013 687 T HN -0.035 nan 8.240 nan 0.000 0.527 688 V N 1.403 121.305 119.914 -0.021 0.000 2.535 688 V HA -0.044 4.044 4.120 -0.053 0.000 0.246 688 V C 2.636 178.710 176.094 -0.033 0.000 1.045 688 V CA 1.150 63.432 62.300 -0.031 0.000 1.058 688 V CB -0.856 30.940 31.823 -0.045 0.000 0.689 688 V HN 0.805 nan 8.190 nan 0.000 0.461 689 M N 1.291 120.856 119.600 -0.058 0.000 2.195 689 M HA -0.154 4.294 4.480 -0.053 0.000 0.260 689 M C 2.146 178.426 176.300 -0.034 0.000 1.066 689 M CA 2.067 57.326 55.300 -0.069 0.000 1.089 689 M CB -0.867 31.702 32.600 -0.052 0.000 1.377 689 M HN 0.493 nan 8.290 nan 0.000 0.411 690 S N -0.831 114.860 115.700 -0.016 0.000 2.660 690 S HA 0.072 4.510 4.470 -0.053 0.000 0.223 690 S C 1.541 176.148 174.600 0.013 0.000 0.963 690 S CA 0.170 58.369 58.200 -0.003 0.000 0.932 690 S CB -0.227 62.971 63.200 -0.003 0.000 0.775 690 S HN 0.509 nan 8.310 nan 0.000 0.531 691 R N -0.437 120.086 120.500 0.038 0.000 2.509 691 R HA 0.468 4.776 4.340 -0.053 0.000 0.297 691 R C 2.174 178.579 176.300 0.174 0.000 0.951 691 R CA 0.475 56.616 56.100 0.069 0.000 1.103 691 R CB -0.118 30.205 30.300 0.038 0.000 1.283 691 R HN 0.395 nan 8.270 nan 0.000 0.534 692 A N 1.950 124.847 122.820 0.129 0.000 1.923 692 A HA -0.312 3.976 4.320 -0.053 0.000 0.222 692 A C 1.799 179.495 177.584 0.188 0.000 1.258 692 A CA 1.892 53.992 52.037 0.105 0.000 0.670 692 A CB -0.357 18.622 19.000 -0.036 0.000 0.834 692 A HN 0.241 nan 8.150 nan 0.000 0.470 693 E N -0.094 120.167 120.200 0.101 0.000 2.114 693 E HA -0.213 4.106 4.350 -0.053 0.000 0.199 693 E C 1.776 178.424 176.600 0.081 0.000 1.008 693 E CA 1.461 57.907 56.400 0.078 0.000 0.810 693 E CB -0.493 29.233 29.700 0.043 0.000 0.739 693 E HN 0.723 nan 8.360 nan 0.000 0.456 694 N N 0.062 118.793 118.700 0.053 0.000 2.331 694 N HA -0.094 4.614 4.740 -0.053 0.000 0.180 694 N C 1.737 177.199 175.510 -0.080 0.000 1.019 694 N CA 0.505 53.531 53.050 -0.040 0.000 0.881 694 N CB -0.377 38.035 38.487 -0.125 0.000 0.972 694 N HN 0.155 nan 8.380 nan 0.000 0.435 695 F N 1.924 121.825 119.950 -0.081 0.000 2.307 695 F HA -0.093 4.402 4.527 -0.053 0.000 0.301 695 F C 2.274 178.080 175.800 0.010 0.000 1.076 695 F CA 0.884 58.835 58.000 -0.080 0.000 1.383 695 F CB -0.174 38.731 39.000 -0.158 0.000 1.055 695 F HN -0.030 nan 8.300 nan 0.000 0.526 696 K N 0.472 120.974 120.400 0.169 0.000 2.520 696 K HA -0.196 4.092 4.320 -0.053 0.000 0.197 696 K C 1.300 177.960 176.600 0.100 0.000 1.043 696 K CA 1.105 57.471 56.287 0.132 0.000 0.944 696 K CB -0.081 32.476 32.500 0.095 0.000 0.770 696 K HN 0.419 nan 8.250 nan 0.000 0.480 697 Q N -0.224 119.620 119.800 0.072 0.000 2.317 697 Q HA 0.064 4.372 4.340 -0.053 0.000 0.220 697 Q C 0.028 176.072 176.000 0.073 0.000 0.873 697 Q CA -0.120 55.715 55.803 0.052 0.000 0.936 697 Q CB 1.268 30.014 28.738 0.015 0.000 1.105 697 Q HN 0.156 nan 8.270 nan 0.000 0.520 698 V N -3.021 116.956 119.914 0.105 0.000 3.160 698 V HA 0.503 4.591 4.120 -0.053 0.000 0.310 698 V C -1.207 175.031 176.094 0.240 0.000 1.181 698 V CA -1.273 61.114 62.300 0.145 0.000 1.047 698 V CB 2.216 34.099 31.823 0.100 0.000 1.068 698 V HN -0.036 nan 8.190 nan 0.000 0.441 699 E N 1.311 121.675 120.200 0.273 0.000 2.146 699 E HA 0.470 4.788 4.350 -0.053 0.000 0.282 699 E C -1.852 175.102 176.600 0.590 0.000 0.989 699 E CA -0.348 56.276 56.400 0.375 0.000 0.799 699 E CB 1.719 31.569 29.700 0.250 0.000 1.088 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.414 123.973 120.300 0.432 0.000 2.391 700 Y HA 0.439 4.957 4.550 -0.053 0.000 0.341 700 Y C -1.716 174.287 175.900 0.172 0.000 0.965 700 Y CA -1.481 56.827 58.100 0.347 0.000 1.067 700 Y CB 1.046 39.732 38.460 0.377 0.000 1.199 700 Y HN 0.429 nan 8.280 nan 0.000 0.450 701 L N 7.543 128.505 121.223 -0.436 0.000 2.333 701 L HA 0.654 4.962 4.340 -0.053 0.000 0.280 701 L C -2.093 174.347 176.870 -0.717 0.000 1.004 701 L CA -0.817 53.604 54.840 -0.698 0.000 0.820 701 L CB 1.432 42.733 42.059 -1.263 0.000 1.247 701 L HN 0.652 nan 8.230 nan 0.000 0.416 702 L N 6.844 127.747 121.223 -0.532 0.000 2.343 702 L HA 0.694 5.002 4.340 -0.053 0.000 0.278 702 L C -1.337 175.426 176.870 -0.179 0.000 0.996 702 L CA -0.094 54.483 54.840 -0.437 0.000 0.831 702 L CB 1.175 42.979 42.059 -0.425 0.000 1.232 702 L HN 0.542 nan 8.230 nan 0.000 0.413 703 I N 4.238 124.713 120.570 -0.157 0.000 2.582 703 I HA 0.474 4.612 4.170 -0.053 0.000 0.292 703 I C -1.116 174.995 176.117 -0.009 0.000 1.066 703 I CA -0.743 60.521 61.300 -0.059 0.000 1.053 703 I CB 2.118 40.044 38.000 -0.123 0.000 1.241 703 I HN 0.690 nan 8.210 nan 0.000 0.421 704 H N 1.904 121.042 119.070 0.114 0.000 3.046 704 H HA 0.577 5.101 4.556 -0.053 0.000 0.361 704 H C -0.380 175.195 175.328 0.412 0.000 1.235 704 H CA -0.463 55.707 56.048 0.202 0.000 1.146 704 H CB 2.333 32.194 29.762 0.164 0.000 1.859 704 H HN 0.763 nan 8.280 nan 0.000 0.548 705 G N -0.129 109.023 108.800 0.586 0.000 2.425 705 G HA2 0.293 4.221 3.960 -0.053 0.000 0.302 705 G HA3 0.293 4.221 3.960 -0.053 0.000 0.302 705 G C 0.915 176.071 174.900 0.427 0.000 1.159 705 G CA 0.048 45.445 45.100 0.495 0.000 0.865 705 G HN 0.717 nan 8.290 nan 0.000 0.515 706 T N -1.941 112.722 114.554 0.181 0.000 3.081 706 T HA 0.258 4.577 4.350 -0.053 0.000 0.255 706 T C 1.482 176.179 174.700 -0.004 0.000 1.113 706 T CA 1.045 63.066 62.100 -0.132 0.000 1.082 706 T CB 0.337 69.058 68.868 -0.246 0.000 0.939 706 T HN 0.715 nan 8.240 nan 0.000 0.506 707 A N 1.004 123.910 122.820 0.143 0.000 2.630 707 A HA 0.338 4.626 4.320 -0.053 0.000 0.290 707 A C 0.280 177.905 177.584 0.068 0.000 1.267 707 A CA -0.516 51.634 52.037 0.187 0.000 0.950 707 A CB -0.206 19.124 19.000 0.550 0.000 1.144 707 A HN 0.335 nan 8.150 nan 0.000 0.527 708 D N 1.794 122.227 120.400 0.056 0.000 2.349 708 D HA -0.022 4.586 4.640 -0.053 0.000 0.266 708 D C 0.438 176.695 176.300 -0.072 0.000 1.293 708 D CA 0.255 54.350 54.000 0.158 0.000 0.926 708 D CB 0.639 41.673 40.800 0.389 0.000 1.090 708 D HN 0.568 nan 8.370 nan 0.000 0.502 709 D N 2.183 122.598 120.400 0.025 0.000 2.317 709 D HA -0.127 4.482 4.640 -0.053 0.000 0.211 709 D C 1.051 177.305 176.300 -0.076 0.000 0.966 709 D CA 0.337 54.308 54.000 -0.049 0.000 0.876 709 D CB 0.277 41.063 40.800 -0.022 0.000 0.927 709 D HN 0.515 nan 8.370 nan 0.000 0.519 710 N N 0.027 118.753 118.700 0.045 0.000 2.638 710 N HA -0.027 4.681 4.740 -0.053 0.000 0.220 710 N C -0.332 175.080 175.510 -0.164 0.000 1.031 710 N CA 0.009 53.128 53.050 0.115 0.000 1.062 710 N CB 0.960 39.661 38.487 0.358 0.000 1.406 710 N HN -0.180 nan 8.380 nan 0.000 0.495 711 V N 2.715 122.561 119.914 -0.114 0.000 2.304 711 V HA 0.242 4.330 4.120 -0.053 0.000 0.269 711 V C -0.932 175.232 176.094 0.116 0.000 1.036 711 V CA -0.411 61.853 62.300 -0.060 0.000 0.840 711 V CB 0.028 31.839 31.823 -0.021 0.000 1.036 711 V HN 0.315 nan 8.190 nan 0.000 0.466 712 H N 3.413 122.480 119.070 -0.006 0.000 2.815 712 H HA 0.055 4.579 4.556 -0.053 0.000 0.350 712 H C 0.714 175.862 175.328 -0.300 0.000 1.080 712 H CA -0.199 55.742 56.048 -0.179 0.000 1.433 712 H CB 0.787 30.355 29.762 -0.324 0.000 1.432 712 H HN 0.607 nan 8.280 nan 0.000 0.592 713 F N 2.127 121.850 119.950 -0.378 0.000 2.192 713 F HA -0.310 4.185 4.527 -0.053 0.000 0.301 713 F C 2.589 178.129 175.800 -0.432 0.000 1.079 713 F CA 1.775 59.413 58.000 -0.603 0.000 1.303 713 F CB -0.187 38.629 39.000 -0.307 0.000 1.024 713 F HN 0.694 nan 8.300 nan 0.000 0.494 714 Q N 0.069 119.739 119.800 -0.217 0.000 2.182 714 Q HA -0.332 3.976 4.340 -0.053 0.000 0.213 714 Q C 2.022 177.746 176.000 -0.460 0.000 1.000 714 Q CA 2.410 58.004 55.803 -0.349 0.000 0.889 714 Q CB -0.362 28.126 28.738 -0.417 0.000 0.932 714 Q HN 0.586 nan 8.270 nan 0.000 0.415 715 Q N -0.400 119.162 119.800 -0.396 0.000 2.046 715 Q HA -0.092 4.217 4.340 -0.053 0.000 0.200 715 Q C 2.335 178.199 176.000 -0.227 0.000 0.975 715 Q CA 1.597 57.281 55.803 -0.199 0.000 0.836 715 Q CB -0.047 28.670 28.738 -0.034 0.000 0.896 715 Q HN 0.342 nan 8.270 nan 0.000 0.428 716 S N 0.877 116.326 115.700 -0.419 0.000 2.371 716 S HA -0.065 4.374 4.470 -0.053 0.000 0.224 716 S C 2.111 176.432 174.600 -0.465 0.000 1.029 716 S CA 0.778 58.732 58.200 -0.410 0.000 0.978 716 S CB -0.236 62.676 63.200 -0.480 0.000 0.833 716 S HN 0.482 nan 8.310 nan 0.000 0.466 717 A N 1.516 123.949 122.820 -0.645 0.000 1.971 717 A HA -0.245 4.043 4.320 -0.053 0.000 0.222 717 A C 2.094 179.553 177.584 -0.207 0.000 1.182 717 A CA 1.640 53.455 52.037 -0.370 0.000 0.649 717 A CB -0.550 18.287 19.000 -0.272 0.000 0.818 717 A HN 0.440 nan 8.150 nan 0.000 0.458 718 Q N -0.926 118.761 119.800 -0.189 0.000 2.212 718 Q HA 0.077 4.385 4.340 -0.053 0.000 0.199 718 Q C 2.168 178.100 176.000 -0.113 0.000 0.950 718 Q CA 0.857 56.606 55.803 -0.091 0.000 0.863 718 Q CB -0.258 28.494 28.738 0.023 0.000 0.944 718 Q HN 0.798 nan 8.270 nan 0.000 0.465 719 I N 1.309 121.781 120.570 -0.163 0.000 2.179 719 I HA -0.284 3.854 4.170 -0.053 0.000 0.242 719 I C 2.469 178.401 176.117 -0.308 0.000 1.088 719 I CA 1.555 62.714 61.300 -0.235 0.000 1.357 719 I CB -0.363 37.499 38.000 -0.229 0.000 1.051 719 I HN 0.171 nan 8.210 nan 0.000 0.409 720 S N 0.763 116.316 115.700 -0.245 0.000 2.368 720 S HA -0.249 4.189 4.470 -0.053 0.000 0.224 720 S C 1.982 176.548 174.600 -0.057 0.000 1.029 720 S CA 1.289 59.389 58.200 -0.167 0.000 0.988 720 S CB -0.422 62.837 63.200 0.097 0.000 0.838 720 S HN 0.371 nan 8.310 nan 0.000 0.462 721 K N 1.905 122.271 120.400 -0.056 0.000 2.097 721 K HA 0.099 4.387 4.320 -0.053 0.000 0.205 721 K C 2.244 178.822 176.600 -0.035 0.000 1.050 721 K CA 1.050 57.325 56.287 -0.020 0.000 0.938 721 K CB -0.640 31.844 32.500 -0.027 0.000 0.718 721 K HN 0.401 nan 8.250 nan 0.000 0.442 722 A N 1.169 123.939 122.820 -0.083 0.000 1.898 722 A HA -0.100 4.189 4.320 -0.053 0.000 0.216 722 A C 2.103 179.630 177.584 -0.094 0.000 1.181 722 A CA 1.293 53.280 52.037 -0.083 0.000 0.620 722 A CB -0.668 18.265 19.000 -0.110 0.000 0.819 722 A HN 0.328 nan 8.150 nan 0.000 0.442 723 L N -0.502 120.611 121.223 -0.183 0.000 2.079 723 L HA -0.177 4.131 4.340 -0.053 0.000 0.210 723 L C 2.492 179.386 176.870 0.040 0.000 1.081 723 L CA 1.081 55.820 54.840 -0.169 0.000 0.752 723 L CB -0.494 41.259 42.059 -0.510 0.000 0.896 723 L HN 0.264 nan 8.230 nan 0.000 0.433 724 V N -0.712 119.254 119.914 0.087 0.000 2.379 724 V HA -0.225 3.863 4.120 -0.053 0.000 0.245 724 V C 1.455 177.586 176.094 0.063 0.000 1.044 724 V CA 1.539 63.910 62.300 0.119 0.000 1.036 724 V CB -0.441 31.452 31.823 0.116 0.000 0.664 724 V HN 0.383 nan 8.190 nan 0.000 0.453 725 D N -0.729 119.690 120.400 0.033 0.000 2.379 725 D HA -0.026 4.582 4.640 -0.053 0.000 0.243 725 D C 1.078 177.393 176.300 0.025 0.000 1.088 725 D CA 0.612 54.625 54.000 0.023 0.000 0.925 725 D CB 0.664 41.469 40.800 0.009 0.000 0.888 725 D HN 0.334 nan 8.370 nan 0.000 0.529 726 V N -1.333 118.602 119.914 0.035 0.000 3.432 726 V HA 0.235 4.323 4.120 -0.053 0.000 0.290 726 V C 0.920 177.046 176.094 0.053 0.000 1.591 726 V CA 0.627 62.949 62.300 0.037 0.000 1.069 726 V CB 0.568 32.408 31.823 0.028 0.000 0.892 726 V HN 0.233 nan 8.190 nan 0.000 0.436 727 G N 1.284 110.124 108.800 0.067 0.000 2.212 727 G HA2 -0.175 3.753 3.960 -0.053 0.000 0.255 727 G HA3 -0.175 3.753 3.960 -0.053 0.000 0.255 727 G C -0.076 174.886 174.900 0.103 0.000 1.062 727 G CA 0.348 45.494 45.100 0.077 0.000 0.815 727 G HN 0.708 nan 8.290 nan 0.000 0.497 728 V N 0.561 120.559 119.914 0.139 0.000 2.370 728 V HA 0.447 4.536 4.120 -0.053 0.000 0.279 728 V C 0.405 176.672 176.094 0.288 0.000 1.029 728 V CA -0.452 61.965 62.300 0.193 0.000 0.870 728 V CB 1.687 33.620 31.823 0.183 0.000 0.984 728 V HN 0.456 nan 8.190 nan 0.000 0.451 729 D N 4.407 124.946 120.400 0.230 0.000 2.304 729 D HA 0.561 5.169 4.640 -0.053 0.000 0.250 729 D C -0.625 175.874 176.300 0.332 0.000 1.107 729 D CA 0.104 54.218 54.000 0.190 0.000 0.885 729 D CB 0.711 41.567 40.800 0.093 0.000 1.192 729 D HN 0.362 nan 8.370 nan 0.000 0.436 730 F N -0.005 120.009 119.950 0.107 0.000 2.686 730 F HA 0.454 4.949 4.527 -0.053 0.000 0.311 730 F C -1.217 174.621 175.800 0.063 0.000 1.128 730 F CA -1.122 56.961 58.000 0.137 0.000 0.946 730 F CB 0.821 39.935 39.000 0.190 0.000 1.336 730 F HN 0.133 nan 8.300 nan 0.000 0.457 731 Q N 1.419 121.246 119.800 0.044 0.000 2.214 731 Q HA 0.791 5.100 4.340 -0.053 0.000 0.251 731 Q C -0.879 175.075 176.000 -0.077 0.000 0.936 731 Q CA -0.903 54.847 55.803 -0.088 0.000 0.894 731 Q CB 2.126 30.863 28.738 -0.001 0.000 1.252 731 Q HN 1.002 nan 8.270 nan 0.000 0.448 732 A N 1.795 124.551 122.820 -0.106 0.000 2.572 732 A HA 0.777 5.065 4.320 -0.053 0.000 0.295 732 A C -1.461 176.076 177.584 -0.079 0.000 1.072 732 A CA -0.597 51.418 52.037 -0.036 0.000 0.691 732 A CB 1.973 21.006 19.000 0.055 0.000 1.291 732 A HN 0.634 nan 8.150 nan 0.000 0.404 733 M N 1.746 121.290 119.600 -0.093 0.000 2.255 733 M HA 0.582 5.030 4.480 -0.053 0.000 0.275 733 M C -1.590 174.621 176.300 -0.148 0.000 1.050 733 M CA -0.455 54.676 55.300 -0.282 0.000 0.978 733 M CB 1.047 33.364 32.600 -0.472 0.000 1.761 733 M HN 0.990 nan 8.290 nan 0.000 0.479 734 W N 4.607 125.769 121.300 -0.230 0.000 2.390 734 W HA 0.795 5.423 4.660 -0.053 0.000 0.362 734 W C -2.008 174.254 176.519 -0.428 0.000 1.206 734 W CA -0.652 56.625 57.345 -0.114 0.000 1.355 734 W CB 0.512 29.971 29.460 -0.001 0.000 1.278 734 W HN 0.604 nan 8.180 nan 0.000 0.653 735 Y N 1.631 122.095 120.300 0.273 0.000 2.373 735 Y HA 0.270 4.789 4.550 -0.052 0.000 0.327 735 Y C 0.180 176.228 175.900 0.246 0.000 1.036 735 Y CA -1.334 56.828 58.100 0.103 0.000 1.265 735 Y CB 1.385 39.880 38.460 0.058 0.000 1.108 735 Y HN 0.428 nan 8.280 nan 0.000 0.471 736 T N 4.063 118.843 114.554 0.377 0.000 2.866 736 T HA 0.013 4.331 4.350 -0.053 0.000 0.293 736 T C 0.128 174.943 174.700 0.191 0.000 1.005 736 T CA 0.754 63.024 62.100 0.284 0.000 1.162 736 T CB -0.054 68.929 68.868 0.192 0.000 0.968 736 T HN 0.713 nan 8.240 nan 0.000 0.530 737 D N 0.509 121.000 120.400 0.153 0.000 3.077 737 D HA -0.119 4.490 4.640 -0.053 0.000 0.212 737 D C 0.134 176.587 176.300 0.255 0.000 1.125 737 D CA 1.082 55.129 54.000 0.078 0.000 0.970 737 D CB -0.453 40.233 40.800 -0.189 0.000 1.110 737 D HN 0.570 nan 8.370 nan 0.000 0.419 738 E N 0.851 121.209 120.200 0.263 0.000 2.266 738 E HA 0.365 4.683 4.350 -0.053 0.000 0.277 738 E C 0.680 177.462 176.600 0.303 0.000 1.018 738 E CA -0.349 56.212 56.400 0.268 0.000 0.840 738 E CB 1.404 31.243 29.700 0.232 0.000 1.082 738 E HN 0.335 nan 8.360 nan 0.000 0.395 739 D N -0.244 120.341 120.400 0.309 0.000 2.511 739 D HA -0.005 4.603 4.640 -0.053 0.000 0.283 739 D C 1.060 177.571 176.300 0.352 0.000 1.198 739 D CA -0.105 54.100 54.000 0.342 0.000 1.097 739 D CB -0.107 40.919 40.800 0.376 0.000 1.160 739 D HN 0.439 nan 8.370 nan 0.000 0.589 740 H N -1.768 117.473 119.070 0.285 0.000 2.457 740 H HA 0.169 4.693 4.556 -0.053 0.000 0.294 740 H C 1.914 177.465 175.328 0.372 0.000 1.064 740 H CA 1.960 58.190 56.048 0.302 0.000 1.330 740 H CB -0.312 29.614 29.762 0.273 0.000 1.395 740 H HN 0.465 nan 8.280 nan 0.000 0.541 741 G N -0.169 108.778 108.800 0.246 0.000 2.712 741 G HA2 -0.009 3.919 3.960 -0.053 0.000 0.212 741 G HA3 -0.009 3.919 3.960 -0.053 0.000 0.212 741 G C 0.546 175.573 174.900 0.212 0.000 1.142 741 G CA 0.243 45.416 45.100 0.122 0.000 0.789 741 G HN 0.504 nan 8.290 nan 0.000 0.535 742 I N 0.170 120.904 120.570 0.272 0.000 3.775 742 I HA -0.331 3.807 4.170 -0.053 0.000 0.126 742 I C 1.570 177.789 176.117 0.170 0.000 1.037 742 I CA 0.134 61.561 61.300 0.211 0.000 2.738 742 I CB -0.888 37.239 38.000 0.210 0.000 1.374 742 I HN 0.247 nan 8.210 nan 0.000 0.342 743 A N 2.224 125.121 122.820 0.128 0.000 2.229 743 A HA 0.222 4.510 4.320 -0.053 0.000 0.211 743 A C 1.221 178.838 177.584 0.054 0.000 1.193 743 A CA 0.606 52.688 52.037 0.076 0.000 0.879 743 A CB 0.209 19.236 19.000 0.045 0.000 0.911 743 A HN 0.702 nan 8.150 nan 0.000 0.492 744 S N 0.871 116.617 115.700 0.077 0.000 2.554 744 S HA 0.087 4.525 4.470 -0.053 0.000 0.290 744 S C 1.281 175.919 174.600 0.064 0.000 1.309 744 S CA 0.466 58.705 58.200 0.066 0.000 1.047 744 S CB 0.766 64.013 63.200 0.077 0.000 0.828 744 S HN 1.011 nan 8.310 nan 0.000 0.509 745 S N 1.945 117.672 115.700 0.045 0.000 2.387 745 S HA -0.141 4.297 4.470 -0.053 0.000 0.226 745 S C 1.955 176.612 174.600 0.094 0.000 1.026 745 S CA 1.179 59.414 58.200 0.057 0.000 0.972 745 S CB -1.747 61.460 63.200 0.012 0.000 0.814 745 S HN 1.071 nan 8.310 nan 0.000 0.477 746 T N 0.297 114.891 114.554 0.066 0.000 2.788 746 T HA 0.116 4.435 4.350 -0.053 0.000 0.268 746 T C 1.947 176.692 174.700 0.074 0.000 1.044 746 T CA 1.203 63.342 62.100 0.064 0.000 1.139 746 T CB -0.827 68.065 68.868 0.040 0.000 0.867 746 T HN 0.593 nan 8.240 nan 0.000 0.454 747 A N 0.627 123.471 122.820 0.040 0.000 2.081 747 A HA 0.149 4.438 4.320 -0.053 0.000 0.214 747 A C 2.047 179.579 177.584 -0.086 0.000 1.158 747 A CA 1.227 53.218 52.037 -0.078 0.000 0.724 747 A CB -0.836 18.069 19.000 -0.159 0.000 0.826 747 A HN 0.713 nan 8.150 nan 0.000 0.463 748 H N 0.229 119.281 119.070 -0.030 0.000 2.299 748 H HA -0.089 4.436 4.556 -0.052 0.000 0.302 748 H C 2.035 177.438 175.328 0.125 0.000 1.078 748 H CA 2.287 58.373 56.048 0.064 0.000 1.323 748 H CB -0.189 29.600 29.762 0.044 0.000 1.381 748 H HN 0.512 nan 8.280 nan 0.000 0.498 749 Q N -1.200 118.620 119.800 0.034 0.000 2.135 749 Q HA -0.210 4.098 4.340 -0.053 0.000 0.204 749 Q C 2.091 178.105 176.000 0.023 0.000 0.981 749 Q CA 1.703 57.494 55.803 -0.020 0.000 0.856 749 Q CB -0.169 28.593 28.738 0.040 0.000 0.902 749 Q HN 0.635 nan 8.270 nan 0.000 0.425 750 H N 0.640 119.692 119.070 -0.029 0.000 2.284 750 H HA -0.042 4.482 4.556 -0.053 0.000 0.304 750 H C 1.905 177.243 175.328 0.018 0.000 1.069 750 H CA 1.601 57.665 56.048 0.027 0.000 1.327 750 H CB -0.129 29.693 29.762 0.100 0.000 1.387 750 H HN 0.208 nan 8.280 nan 0.000 0.498 751 I N -0.326 120.239 120.570 -0.008 0.000 2.315 751 I HA -0.346 3.792 4.170 -0.053 0.000 0.251 751 I C 1.159 177.078 176.117 -0.331 0.000 1.125 751 I CA 1.493 62.706 61.300 -0.145 0.000 1.392 751 I CB -0.121 37.650 38.000 -0.380 0.000 1.065 751 I HN 0.337 nan 8.210 nan 0.000 0.424 752 Y N 0.524 120.646 120.300 -0.297 0.000 2.519 752 Y HA -0.077 4.441 4.550 -0.053 0.000 0.287 752 Y C 2.539 178.265 175.900 -0.291 0.000 1.128 752 Y CA 1.202 59.015 58.100 -0.479 0.000 1.282 752 Y CB -0.377 37.780 38.460 -0.504 0.000 1.027 752 Y HN 0.141 nan 8.280 nan 0.000 0.551 753 T N -1.894 112.614 114.554 -0.076 0.000 2.809 753 T HA -0.154 4.164 4.350 -0.053 0.000 0.260 753 T C 1.532 176.179 174.700 -0.088 0.000 1.039 753 T CA 1.569 63.601 62.100 -0.113 0.000 1.141 753 T CB -0.362 68.453 68.868 -0.089 0.000 0.869 753 T HN 0.346 nan 8.240 nan 0.000 0.437 754 H N 1.334 120.327 119.070 -0.129 0.000 2.290 754 H HA 0.060 4.584 4.556 -0.053 0.000 0.298 754 H C 2.194 177.535 175.328 0.022 0.000 1.087 754 H CA 1.742 57.773 56.048 -0.028 0.000 1.291 754 H CB -0.307 29.380 29.762 -0.125 0.000 1.369 754 H HN 0.201 nan 8.280 nan 0.000 0.492 755 M N -0.701 118.878 119.600 -0.036 0.000 2.202 755 M HA -0.179 4.269 4.480 -0.053 0.000 0.262 755 M C 2.406 178.835 176.300 0.214 0.000 1.063 755 M CA 1.485 56.764 55.300 -0.035 0.000 1.097 755 M CB -0.096 32.260 32.600 -0.406 0.000 1.382 755 M HN 0.227 nan 8.290 nan 0.000 0.413 756 S N -0.757 115.066 115.700 0.205 0.000 2.368 756 S HA -0.127 4.311 4.470 -0.053 0.000 0.224 756 S C 1.676 176.337 174.600 0.103 0.000 1.029 756 S CA 0.884 59.269 58.200 0.308 0.000 0.988 756 S CB -0.478 62.878 63.200 0.261 0.000 0.838 756 S HN 0.473 nan 8.310 nan 0.000 0.462 757 H N -0.188 118.941 119.070 0.098 0.000 2.387 757 H HA -0.055 4.470 4.556 -0.053 0.000 0.299 757 H C 1.984 177.311 175.328 -0.001 0.000 1.090 757 H CA 1.356 57.416 56.048 0.021 0.000 1.332 757 H CB -0.622 29.109 29.762 -0.052 0.000 1.386 757 H HN 0.463 nan 8.280 nan 0.000 0.516 758 F N 0.865 120.794 119.950 -0.034 0.000 2.113 758 F HA -0.128 4.367 4.527 -0.053 0.000 0.297 758 F C 2.414 178.157 175.800 -0.096 0.000 1.103 758 F CA 0.800 58.745 58.000 -0.092 0.000 1.248 758 F CB -0.467 38.455 39.000 -0.129 0.000 0.999 758 F HN -0.050 nan 8.300 nan 0.000 0.475 759 I N 0.758 121.288 120.570 -0.065 0.000 2.286 759 I HA -0.211 3.927 4.170 -0.053 0.000 0.245 759 I C 2.301 178.170 176.117 -0.412 0.000 1.104 759 I CA 1.290 62.376 61.300 -0.358 0.000 1.397 759 I CB -0.554 37.363 38.000 -0.138 0.000 1.072 759 I HN 0.021 nan 8.210 nan 0.000 0.417 760 K N 0.025 120.347 120.400 -0.130 0.000 2.103 760 K HA -0.251 4.038 4.320 -0.053 0.000 0.207 760 K C 1.991 178.569 176.600 -0.037 0.000 1.048 760 K CA 1.874 58.144 56.287 -0.028 0.000 0.930 760 K CB -0.154 32.383 32.500 0.062 0.000 0.716 760 K HN 0.532 nan 8.250 nan 0.000 0.444 761 Q N -0.220 119.521 119.800 -0.100 0.000 2.376 761 Q HA -0.027 4.281 4.340 -0.053 0.000 0.206 761 Q C 2.067 177.985 176.000 -0.138 0.000 0.921 761 Q CA 0.934 56.688 55.803 -0.081 0.000 0.911 761 Q CB -0.492 28.209 28.738 -0.062 0.000 1.032 761 Q HN 0.174 nan 8.270 nan 0.000 0.510 762 c N -0.148 118.262 118.600 -0.316 0.000 2.432 762 c HA 0.078 4.616 4.570 -0.053 0.000 0.280 762 c C 1.215 175.301 174.090 -0.006 0.000 1.353 762 c CA 0.376 56.518 56.329 -0.312 0.000 1.766 762 c CB -1.034 41.085 42.510 -0.652 0.000 1.924 762 c HN 0.649 nan 8.230 nan 0.000 0.509 763 F N 1.202 121.104 119.950 -0.080 0.000 2.727 763 F HA 0.247 4.742 4.527 -0.053 0.000 0.302 763 F C 1.697 177.476 175.800 -0.034 0.000 1.097 763 F CA 0.343 58.317 58.000 -0.042 0.000 1.330 763 F CB -1.058 37.923 39.000 -0.031 0.000 1.084 763 F HN 0.180 nan 8.300 nan 0.000 0.578 764 S N 0.327 116.102 115.700 0.126 0.000 3.490 764 S HA -0.209 4.229 4.470 -0.053 0.000 0.301 764 S C 0.277 174.917 174.600 0.067 0.000 1.233 764 S CA 0.085 58.326 58.200 0.068 0.000 0.914 764 S CB -2.188 61.043 63.200 0.052 0.000 1.047 764 S HN 0.235 nan 8.310 nan 0.000 0.602 765 L N 2.288 123.566 121.223 0.091 0.000 2.397 765 L HA 0.362 4.670 4.340 -0.053 0.000 0.271 765 L C -0.971 175.937 176.870 0.063 0.000 1.148 765 L CA -1.513 53.373 54.840 0.076 0.000 0.825 765 L CB 0.058 42.175 42.059 0.096 0.000 1.117 765 L HN 0.065 nan 8.230 nan 0.000 0.456 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726