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 3d6n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKLIVKNGY VIDPSQNLEG EFDILVENGK IKKIDKNILV PEAEIIDAKG DATA SEQUENCE LIVCPGFIDI HVHLRDPGQT YKEDIESGSR CAVAGGFTTI VCMPNTNPPI DATA SEQUENCE DNTTVVNYIL QKSKSVGLCR VLPTGTITKG RKGKEIADFY SLKEAGCVAF DATA SEQUENCE TDDGSPVMDS SVMRKALELA SQLGVPIMDH CEDDKLAYGV INEGEVSALL DATA SEQUENCE GLSSRAPEAE EIQIARDGIL AQRTGGHVHI QHVSTKLSLE IIEFFKEKGV DATA SEQUENCE KITCEVNPNH LLFTEREVLN SGANARVNPP LRKKEDRLAL IEGVKRGIID DATA SEQUENCE CFATDHAPHQ TFEKELVEFA MPGIIGLQTA LPSALELYRK GIISLKKLIE DATA SEQUENCE MFTINPARII GVDLGTLKLG SPADITIFDP NKEWILNEET NLSKSRNTPL DATA SEQUENCE WGKVLKGKVI YTIKDGKMVY KD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 2.134 123.346 121.223 -0.019 0.000 2.109 2 L HA 0.123 4.463 4.340 0.000 0.000 0.207 2 L C 0.440 177.297 176.870 -0.021 0.000 1.086 2 L CA 1.433 56.262 54.840 -0.018 0.000 0.760 2 L CB 0.166 42.215 42.059 -0.016 0.000 0.910 2 L HN 0.747 nan 8.230 nan 0.000 0.437 3 K N 0.479 120.865 120.400 -0.023 0.000 2.345 3 K HA 0.483 4.803 4.320 0.000 0.000 0.255 3 K C -1.386 175.194 176.600 -0.032 0.000 0.934 3 K CA -0.751 55.520 56.287 -0.026 0.000 0.801 3 K CB 2.789 35.275 32.500 -0.023 0.000 1.137 3 K HN -0.113 nan 8.250 nan 0.000 0.424 4 L N 3.274 124.475 121.223 -0.037 0.000 2.362 4 L HA 0.583 4.923 4.340 0.000 0.000 0.271 4 L C -1.470 175.370 176.870 -0.049 0.000 1.002 4 L CA -0.589 54.222 54.840 -0.049 0.000 0.818 4 L CB 1.422 43.446 42.059 -0.057 0.000 1.298 4 L HN 0.626 nan 8.230 nan 0.000 0.420 5 I N 4.858 125.394 120.570 -0.056 0.000 2.418 5 I HA 0.369 4.539 4.170 0.000 0.000 0.287 5 I C -0.680 175.395 176.117 -0.070 0.000 1.008 5 I CA -0.991 60.278 61.300 -0.051 0.000 1.104 5 I CB 1.834 39.812 38.000 -0.038 0.000 1.264 5 I HN 0.188 nan 8.210 nan 0.000 0.438 6 V N 6.583 126.458 119.914 -0.065 0.000 2.356 6 V HA 0.198 4.318 4.120 0.000 0.000 0.258 6 V C 0.545 176.614 176.094 -0.043 0.000 1.065 6 V CA -0.337 61.917 62.300 -0.075 0.000 0.935 6 V CB 0.078 31.861 31.823 -0.067 0.000 1.061 6 V HN 0.588 nan 8.190 nan 0.000 0.484 7 K N 3.800 124.172 120.400 -0.047 0.000 2.118 7 K HA 0.354 4.675 4.320 0.000 0.000 0.267 7 K C 0.727 177.318 176.600 -0.015 0.000 0.991 7 K CA -0.318 55.954 56.287 -0.025 0.000 0.916 7 K CB 1.015 33.498 32.500 -0.028 0.000 1.041 7 K HN 0.681 nan 8.250 nan 0.000 0.455 8 N N -0.769 117.926 118.700 -0.008 0.000 2.955 8 N HA -0.153 4.587 4.740 0.000 0.000 0.230 8 N C 0.292 175.805 175.510 0.006 0.000 0.891 8 N CA 1.517 54.564 53.050 -0.005 0.000 1.002 8 N CB -1.161 37.324 38.487 -0.003 0.000 1.063 8 N HN 0.809 nan 8.380 nan 0.000 0.601 9 G N -0.809 107.998 108.800 0.012 0.000 2.504 9 G HA2 0.402 4.362 3.960 0.000 0.000 0.288 9 G HA3 0.402 4.362 3.960 0.000 0.000 0.288 9 G C -0.848 174.084 174.900 0.054 0.000 1.182 9 G CA -0.357 44.763 45.100 0.033 0.000 0.894 9 G HN 0.232 nan 8.290 nan 0.000 0.521 10 Y N 1.727 121.997 120.300 -0.050 0.000 2.477 10 Y HA 0.407 4.957 4.550 0.000 0.000 0.349 10 Y C 0.148 176.045 175.900 -0.005 0.000 0.977 10 Y CA -0.406 57.669 58.100 -0.042 0.000 1.214 10 Y CB 0.714 39.136 38.460 -0.063 0.000 1.124 10 Y HN 0.230 nan 8.280 nan 0.000 0.521 11 V N 8.235 128.059 119.914 -0.151 0.000 2.498 11 V HA 0.238 4.358 4.120 0.000 0.000 0.279 11 V C 0.038 176.121 176.094 -0.019 0.000 1.048 11 V CA -0.345 61.951 62.300 -0.008 0.000 0.967 11 V CB 0.951 32.838 31.823 0.108 0.000 0.988 11 V HN 0.603 nan 8.190 nan 0.000 0.473 12 I N 3.897 124.514 120.570 0.079 0.000 2.503 12 I HA 0.339 4.509 4.170 0.000 0.000 0.282 12 I C -1.088 175.091 176.117 0.103 0.000 1.059 12 I CA -0.318 61.048 61.300 0.111 0.000 1.081 12 I CB 1.810 39.923 38.000 0.189 0.000 1.210 12 I HN 0.497 nan 8.210 nan 0.000 0.450 13 D N 8.643 129.082 120.400 0.065 0.000 2.458 13 D HA 0.349 4.989 4.640 0.000 0.000 0.258 13 D C -1.852 174.478 176.300 0.050 0.000 1.134 13 D CA -2.216 51.817 54.000 0.054 0.000 0.915 13 D CB 1.704 42.513 40.800 0.014 0.000 1.028 13 D HN 0.117 nan 8.370 nan 0.000 0.508 14 P HA -0.152 nan 4.420 nan 0.000 0.218 14 P C 1.442 178.765 177.300 0.039 0.000 1.148 14 P CA 0.952 64.088 63.100 0.060 0.000 0.822 14 P CB 0.151 31.894 31.700 0.072 0.000 0.784 15 S N -1.011 114.711 115.700 0.036 0.000 2.419 15 S HA -0.191 4.279 4.470 0.000 0.000 0.233 15 S C 1.809 176.415 174.600 0.010 0.000 1.016 15 S CA 1.103 59.316 58.200 0.022 0.000 0.974 15 S CB -0.924 62.290 63.200 0.024 0.000 0.786 15 S HN 0.220 nan 8.310 nan 0.000 0.492 16 Q N 0.101 119.904 119.800 0.005 0.000 2.247 16 Q HA 0.241 4.581 4.340 0.000 0.000 0.211 16 Q C -0.088 175.907 176.000 -0.009 0.000 0.861 16 Q CA -0.088 55.708 55.803 -0.012 0.000 0.949 16 Q CB 0.233 28.952 28.738 -0.031 0.000 1.115 16 Q HN 0.602 nan 8.270 nan 0.000 0.507 17 N N 0.584 119.289 118.700 0.009 0.000 2.747 17 N HA -0.199 4.541 4.740 0.000 0.000 0.249 17 N C -1.227 174.294 175.510 0.018 0.000 1.107 17 N CA 0.300 53.361 53.050 0.019 0.000 0.707 17 N CB -1.091 37.405 38.487 0.015 0.000 1.054 17 N HN 0.224 nan 8.380 nan 0.000 0.555 18 L N 1.367 122.594 121.223 0.007 0.000 2.257 18 L HA 0.444 4.784 4.340 0.000 0.000 0.290 18 L C 0.061 176.959 176.870 0.047 0.000 1.044 18 L CA -0.221 54.616 54.840 -0.004 0.000 0.810 18 L CB 0.590 42.597 42.059 -0.087 0.000 1.193 18 L HN 0.229 nan 8.230 nan 0.000 0.425 19 E N 3.713 123.968 120.200 0.091 0.000 2.340 19 E HA 0.925 5.275 4.350 0.000 0.000 0.273 19 E C -0.472 176.132 176.600 0.007 0.000 0.891 19 E CA -0.934 55.491 56.400 0.042 0.000 0.757 19 E CB 2.140 31.884 29.700 0.073 0.000 1.231 19 E HN 0.764 nan 8.360 nan 0.000 0.439 20 G N 0.895 109.420 108.800 -0.458 0.000 2.362 20 G HA2 -0.015 3.945 3.960 0.000 0.000 0.288 20 G HA3 -0.015 3.945 3.960 0.000 0.000 0.288 20 G C -1.556 172.763 174.900 -0.970 0.000 1.305 20 G CA -0.918 43.735 45.100 -0.745 0.000 0.910 20 G HN 0.570 nan 8.290 nan 0.000 0.518 21 E N 0.365 120.050 120.200 -0.859 0.000 1.924 21 E HA 0.527 4.877 4.350 0.000 0.000 0.261 21 E C -0.872 175.356 176.600 -0.619 0.000 1.088 21 E CA -0.321 55.763 56.400 -0.527 0.000 0.909 21 E CB -0.021 29.534 29.700 -0.242 0.000 1.112 21 E HN 0.254 nan 8.360 nan 0.000 0.425 22 F N 1.124 120.998 119.950 -0.127 0.000 2.556 22 F HA 0.376 4.903 4.527 0.000 0.000 0.327 22 F C 0.677 176.438 175.800 -0.066 0.000 1.059 22 F CA -1.023 56.926 58.000 -0.086 0.000 0.953 22 F CB 1.147 40.093 39.000 -0.091 0.000 1.227 22 F HN 0.154 nan 8.300 nan 0.000 0.478 23 D N 1.229 121.725 120.400 0.160 0.000 2.277 23 D HA 0.546 5.186 4.640 0.000 0.000 0.250 23 D C -0.516 175.815 176.300 0.052 0.000 1.032 23 D CA -0.046 53.995 54.000 0.070 0.000 0.947 23 D CB 2.167 42.988 40.800 0.035 0.000 1.159 23 D HN 0.267 nan 8.370 nan 0.000 0.460 24 I N 1.359 121.935 120.570 0.011 0.000 2.466 24 I HA 0.211 4.381 4.170 0.000 0.000 0.289 24 I C -0.751 175.352 176.117 -0.024 0.000 1.026 24 I CA -0.942 60.350 61.300 -0.013 0.000 1.078 24 I CB 2.024 40.012 38.000 -0.020 0.000 1.249 24 I HN 0.003 nan 8.210 nan 0.000 0.429 25 L N 7.947 129.154 121.223 -0.027 0.000 2.275 25 L HA 0.541 4.882 4.340 0.000 0.000 0.288 25 L C -0.644 176.207 176.870 -0.032 0.000 1.046 25 L CA -0.227 54.596 54.840 -0.029 0.000 0.805 25 L CB 1.432 43.476 42.059 -0.024 0.000 1.193 25 L HN 0.321 nan 8.230 nan 0.000 0.426 26 V N 4.935 124.829 119.914 -0.033 0.000 2.459 26 V HA 0.547 4.667 4.120 0.000 0.000 0.295 26 V C -0.334 175.743 176.094 -0.029 0.000 1.029 26 V CA -0.641 61.640 62.300 -0.032 0.000 0.874 26 V CB 1.621 33.422 31.823 -0.036 0.000 0.985 26 V HN 0.770 nan 8.190 nan 0.000 0.438 27 E N 3.170 123.355 120.200 -0.025 0.000 2.314 27 E HA 0.397 4.747 4.350 0.000 0.000 0.272 27 E C -0.536 176.052 176.600 -0.020 0.000 0.884 27 E CA -0.804 55.583 56.400 -0.022 0.000 0.753 27 E CB 1.556 31.244 29.700 -0.020 0.000 1.213 27 E HN 0.717 nan 8.360 nan 0.000 0.432 28 N N 1.503 120.192 118.700 -0.018 0.000 2.710 28 N HA -0.264 4.476 4.740 0.000 0.000 0.249 28 N C 0.653 176.154 175.510 -0.016 0.000 1.059 28 N CA 1.305 54.346 53.050 -0.016 0.000 0.720 28 N CB -1.065 37.414 38.487 -0.014 0.000 0.983 28 N HN 1.037 nan 8.380 nan 0.000 0.544 29 G N -1.328 107.461 108.800 -0.018 0.000 2.184 29 G HA2 -0.355 3.605 3.960 0.000 0.000 0.264 29 G HA3 -0.355 3.605 3.960 0.000 0.000 0.264 29 G C 0.039 174.928 174.900 -0.018 0.000 0.975 29 G CA 1.093 46.182 45.100 -0.017 0.000 0.642 29 G HN 0.550 nan 8.290 nan 0.000 0.536 30 K N -0.105 120.284 120.400 -0.019 0.000 2.267 30 K HA 0.621 4.941 4.320 0.000 0.000 0.246 30 K C 0.419 177.005 176.600 -0.023 0.000 0.954 30 K CA -1.239 55.036 56.287 -0.019 0.000 0.824 30 K CB 1.478 33.968 32.500 -0.017 0.000 1.167 30 K HN 0.003 nan 8.250 nan 0.000 0.431 31 I N 3.609 124.165 120.570 -0.024 0.000 2.578 31 I HA -0.054 4.116 4.170 0.000 0.000 0.286 31 I C 1.165 177.263 176.117 -0.032 0.000 1.126 31 I CA 0.483 61.766 61.300 -0.030 0.000 1.380 31 I CB 0.408 38.389 38.000 -0.032 0.000 1.408 31 I HN 0.657 nan 8.210 nan 0.000 0.532 32 K N 6.565 126.946 120.400 -0.032 0.000 2.063 32 K HA 0.066 4.386 4.320 0.000 0.000 0.204 32 K C 0.475 177.053 176.600 -0.037 0.000 1.039 32 K CA 1.263 57.532 56.287 -0.031 0.000 0.957 32 K CB 0.345 32.828 32.500 -0.027 0.000 0.764 32 K HN 0.527 nan 8.250 nan 0.000 0.447 33 K N -0.344 120.032 120.400 -0.041 0.000 2.527 33 K HA 0.437 4.758 4.320 0.000 0.000 0.260 33 K C -1.576 174.988 176.600 -0.060 0.000 0.937 33 K CA -0.501 55.757 56.287 -0.049 0.000 0.826 33 K CB 1.388 33.867 32.500 -0.036 0.000 1.359 33 K HN 0.022 nan 8.250 nan 0.000 0.434 34 I N 2.794 123.307 120.570 -0.095 0.000 2.439 34 I HA 0.374 4.544 4.170 0.000 0.000 0.285 34 I C -1.271 174.759 176.117 -0.144 0.000 1.021 34 I CA -0.619 60.601 61.300 -0.134 0.000 1.091 34 I CB 1.875 39.734 38.000 -0.236 0.000 1.242 34 I HN 0.674 nan 8.210 nan 0.000 0.439 35 D N 4.251 124.649 120.400 -0.003 0.000 2.663 35 D HA 0.248 4.888 4.640 0.000 0.000 0.233 35 D C -0.907 175.530 176.300 0.227 0.000 1.240 35 D CA -0.702 53.357 54.000 0.098 0.000 0.774 35 D CB 2.030 42.851 40.800 0.035 0.000 1.443 35 D HN 0.129 nan 8.370 nan 0.000 0.441 36 K N 1.344 121.902 120.400 0.263 0.000 2.412 36 K HA 0.270 4.590 4.320 0.000 0.000 0.281 36 K C -0.390 176.248 176.600 0.062 0.000 1.027 36 K CA 0.281 56.649 56.287 0.134 0.000 0.989 36 K CB -0.093 32.454 32.500 0.079 0.000 0.935 36 K HN 0.542 nan 8.250 nan 0.000 0.475 37 N N 2.773 121.491 118.700 0.030 0.000 2.620 37 N HA -0.229 4.511 4.740 0.000 0.000 0.293 37 N C -1.137 174.383 175.510 0.016 0.000 1.178 37 N CA 0.320 53.379 53.050 0.014 0.000 0.750 37 N CB -0.567 37.921 38.487 0.002 0.000 0.949 37 N HN 0.461 nan 8.380 nan 0.000 0.555 38 I N 2.322 122.901 120.570 0.015 0.000 2.428 38 I HA 0.506 4.676 4.170 0.000 0.000 0.296 38 I C -0.172 175.944 176.117 -0.002 0.000 0.985 38 I CA -0.753 60.551 61.300 0.007 0.000 1.260 38 I CB 1.374 39.378 38.000 0.007 0.000 1.389 38 I HN 0.261 nan 8.210 nan 0.000 0.484 39 L N 6.929 128.149 121.223 -0.005 0.000 2.513 39 L HA 0.632 4.972 4.340 0.000 0.000 0.261 39 L C -1.312 175.552 176.870 -0.010 0.000 0.945 39 L CA -0.422 54.413 54.840 -0.009 0.000 0.848 39 L CB 2.230 44.284 42.059 -0.009 0.000 1.334 39 L HN 0.265 nan 8.230 nan 0.000 0.407 40 V N 3.466 123.373 119.914 -0.013 0.000 2.686 40 V HA 0.581 4.701 4.120 0.000 0.000 0.306 40 V C -2.344 173.742 176.094 -0.014 0.000 1.065 40 V CA -1.446 60.846 62.300 -0.013 0.000 0.894 40 V CB 1.742 33.556 31.823 -0.015 0.000 1.004 40 V HN 0.691 nan 8.190 nan 0.000 0.424 41 P HA 0.127 nan 4.420 nan 0.000 0.264 41 P C 0.274 177.566 177.300 -0.014 0.000 1.193 41 P CA 0.471 63.563 63.100 -0.012 0.000 0.763 41 P CB 0.383 32.076 31.700 -0.011 0.000 0.810 42 E N -0.775 119.415 120.200 -0.015 0.000 2.735 42 E HA -0.250 4.100 4.350 0.000 0.000 0.261 42 E C 0.250 176.838 176.600 -0.020 0.000 1.137 42 E CA 0.636 57.026 56.400 -0.017 0.000 0.754 42 E CB -1.549 28.142 29.700 -0.015 0.000 1.352 42 E HN 0.689 nan 8.360 nan 0.000 0.430 43 A N 1.094 123.901 122.820 -0.021 0.000 2.440 43 A HA 0.135 4.455 4.320 0.000 0.000 0.251 43 A C 0.650 178.215 177.584 -0.032 0.000 1.089 43 A CA -0.128 51.894 52.037 -0.026 0.000 0.779 43 A CB 0.481 19.466 19.000 -0.025 0.000 1.022 43 A HN 0.128 nan 8.150 nan 0.000 0.492 44 E N 0.634 120.812 120.200 -0.037 0.000 2.415 44 E HA 0.217 4.567 4.350 0.000 0.000 0.262 44 E C -0.313 176.251 176.600 -0.059 0.000 1.038 44 E CA 0.453 56.825 56.400 -0.047 0.000 0.921 44 E CB 0.549 30.218 29.700 -0.051 0.000 0.950 44 E HN 0.564 nan 8.360 nan 0.000 0.438 45 I N 0.552 121.081 120.570 -0.067 0.000 2.465 45 I HA 0.488 4.658 4.170 0.000 0.000 0.291 45 I C -0.236 175.809 176.117 -0.120 0.000 1.014 45 I CA -0.843 60.410 61.300 -0.078 0.000 1.093 45 I CB 1.351 39.318 38.000 -0.055 0.000 1.267 45 I HN 0.207 nan 8.210 nan 0.000 0.431 46 I N 4.443 124.915 120.570 -0.162 0.000 2.362 46 I HA 0.253 4.423 4.170 0.000 0.000 0.289 46 I C -0.684 175.329 176.117 -0.174 0.000 0.994 46 I CA -0.274 60.864 61.300 -0.269 0.000 1.158 46 I CB 1.682 39.412 38.000 -0.450 0.000 1.315 46 I HN 0.586 nan 8.210 nan 0.000 0.451 47 D N 5.978 126.309 120.400 -0.115 0.000 2.380 47 D HA 0.343 4.983 4.640 0.000 0.000 0.230 47 D C 0.357 176.672 176.300 0.025 0.000 1.154 47 D CA -0.095 53.887 54.000 -0.029 0.000 0.859 47 D CB 1.476 42.278 40.800 0.003 0.000 1.045 47 D HN 0.620 nan 8.370 nan 0.000 0.495 48 A N 4.534 127.362 122.820 0.012 0.000 2.577 48 A HA 0.088 4.408 4.320 0.000 0.000 0.280 48 A C 0.912 178.516 177.584 0.033 0.000 1.331 48 A CA -0.485 51.582 52.037 0.049 0.000 0.935 48 A CB -0.316 18.701 19.000 0.029 0.000 1.082 48 A HN 0.437 nan 8.150 nan 0.000 0.525 49 K N 0.371 120.787 120.400 0.026 0.000 2.451 49 K HA 0.276 4.596 4.320 0.000 0.000 0.280 49 K C 1.193 177.802 176.600 0.016 0.000 1.020 49 K CA 1.031 57.328 56.287 0.017 0.000 1.008 49 K CB -0.064 32.444 32.500 0.012 0.000 0.917 49 K HN 0.838 nan 8.250 nan 0.000 0.478 50 G N 3.183 111.989 108.800 0.009 0.000 2.168 50 G HA2 -0.262 3.698 3.960 0.000 0.000 0.263 50 G HA3 -0.262 3.698 3.960 0.000 0.000 0.263 50 G C -0.133 174.754 174.900 -0.022 0.000 0.977 50 G CA 0.572 45.670 45.100 -0.005 0.000 0.659 50 G HN 0.489 nan 8.290 nan 0.000 0.533 51 L N 0.241 121.453 121.223 -0.019 0.000 2.301 51 L HA 0.643 4.983 4.340 0.000 0.000 0.264 51 L C 0.462 177.264 176.870 -0.113 0.000 1.016 51 L CA -1.588 53.210 54.840 -0.070 0.000 0.821 51 L CB 1.486 43.531 42.059 -0.023 0.000 1.346 51 L HN -0.138 nan 8.230 nan 0.000 0.429 52 I N 2.149 122.527 120.570 -0.319 0.000 2.371 52 I HA 0.241 4.411 4.170 0.000 0.000 0.290 52 I C -0.046 175.939 176.117 -0.220 0.000 1.028 52 I CA -0.319 60.763 61.300 -0.363 0.000 1.345 52 I CB 1.369 38.831 38.000 -0.896 0.000 1.407 52 I HN 0.152 nan 8.210 nan 0.000 0.501 53 V N 6.639 126.533 119.914 -0.034 0.000 2.398 53 V HA 0.530 4.650 4.120 0.000 0.000 0.286 53 V C 0.201 176.340 176.094 0.074 0.000 1.026 53 V CA -0.351 61.961 62.300 0.020 0.000 0.868 53 V CB 1.643 33.480 31.823 0.024 0.000 0.982 53 V HN 1.052 nan 8.190 nan 0.000 0.443 54 C N 4.282 123.644 119.300 0.104 0.000 3.323 54 C HA 0.822 5.282 4.460 0.000 0.000 0.324 54 C C -3.111 171.938 174.990 0.097 0.000 1.428 54 C CA -2.261 56.849 59.018 0.153 0.000 1.368 54 C CB 1.804 29.731 27.740 0.313 0.000 1.731 54 C HN 0.591 nan 8.230 nan 0.000 0.455 55 P HA 0.324 nan 4.420 nan 0.000 0.269 55 P C 0.372 177.701 177.300 0.048 0.000 1.209 55 P CA 0.898 64.046 63.100 0.080 0.000 0.776 55 P CB 0.182 31.946 31.700 0.107 0.000 0.876 56 G N 2.421 111.204 108.800 -0.029 0.000 2.321 56 G HA2 0.099 4.059 3.960 0.000 0.000 0.237 56 G HA3 0.099 4.059 3.960 0.000 0.000 0.237 56 G C -0.410 174.514 174.900 0.041 0.000 1.282 56 G CA -0.264 44.762 45.100 -0.123 0.000 0.886 56 G HN 0.219 nan 8.290 nan 0.000 0.528 57 F N 0.530 120.386 119.950 -0.157 0.000 2.496 57 F HA 0.375 4.902 4.527 0.000 0.000 0.344 57 F C 0.981 176.877 175.800 0.161 0.000 1.155 57 F CA -1.033 56.865 58.000 -0.170 0.000 1.302 57 F CB 0.592 39.029 39.000 -0.939 0.000 1.159 57 F HN 0.171 nan 8.300 nan 0.000 0.595 58 I N 2.238 123.131 120.570 0.538 0.000 2.418 58 I HA 0.199 4.369 4.170 0.000 0.000 0.287 58 I C -0.725 175.689 176.117 0.495 0.000 1.008 58 I CA -0.584 60.980 61.300 0.440 0.000 1.104 58 I CB 1.669 39.816 38.000 0.245 0.000 1.264 58 I HN 0.374 nan 8.210 nan 0.000 0.438 59 D N 7.304 127.887 120.400 0.306 0.000 2.414 59 D HA 0.290 4.930 4.640 0.000 0.000 0.232 59 D C 0.569 176.881 176.300 0.021 0.000 1.070 59 D CA -0.460 53.574 54.000 0.057 0.000 0.839 59 D CB 1.535 42.042 40.800 -0.488 0.000 1.079 59 D HN 0.587 nan 8.370 nan 0.000 0.521 60 I N 1.182 121.783 120.570 0.052 0.000 3.749 60 I HA 0.248 4.418 4.170 0.000 0.000 0.314 60 I C -0.068 176.052 176.117 0.005 0.000 1.278 60 I CA 0.031 61.320 61.300 -0.018 0.000 1.158 60 I CB -0.148 37.795 38.000 -0.095 0.000 1.018 60 I HN 0.288 nan 8.210 nan 0.000 0.435 61 H N 0.554 119.590 119.070 -0.055 0.000 2.750 61 H HA 0.590 5.146 4.556 0.000 0.000 0.261 61 H C -1.785 173.509 175.328 -0.057 0.000 1.387 61 H CA -0.540 55.479 56.048 -0.048 0.000 1.557 61 H CB 1.056 30.839 29.762 0.035 0.000 1.756 61 H HN 0.100 nan 8.280 nan 0.000 0.580 62 V N 4.000 123.953 119.914 0.066 0.000 2.709 62 V HA 0.222 4.342 4.120 0.000 0.000 0.308 62 V C -0.367 175.666 176.094 -0.101 0.000 1.062 62 V CA -0.824 61.486 62.300 0.017 0.000 0.901 62 V CB 1.912 33.693 31.823 -0.070 0.000 1.003 62 V HN 0.713 nan 8.190 nan 0.000 0.425 63 H N 5.524 124.678 119.070 0.140 0.000 2.597 63 H HA 0.395 4.951 4.556 0.000 0.000 0.303 63 H C 0.318 175.694 175.328 0.079 0.000 1.057 63 H CA -0.263 55.835 56.048 0.084 0.000 1.261 63 H CB 1.907 31.685 29.762 0.027 0.000 1.397 63 H HN 0.503 nan 8.280 nan 0.000 0.461 64 L N 2.317 123.606 121.223 0.110 0.000 2.529 64 L HA 0.028 4.368 4.340 0.000 0.000 0.223 64 L C 0.755 177.662 176.870 0.061 0.000 1.113 64 L CA 0.079 54.963 54.840 0.073 0.000 0.861 64 L CB 0.135 42.211 42.059 0.029 0.000 1.012 64 L HN 0.538 nan 8.230 nan 0.000 0.461 65 R N 0.113 120.653 120.500 0.067 0.000 3.875 65 R HA -0.192 4.148 4.340 0.000 0.000 0.321 65 R C -0.412 175.913 176.300 0.041 0.000 1.196 65 R CA 0.715 56.825 56.100 0.017 0.000 0.868 65 R CB -2.635 27.616 30.300 -0.081 0.000 1.333 65 R HN 0.338 nan 8.270 nan 0.000 0.522 66 D N 0.133 120.585 120.400 0.086 0.000 2.575 66 D HA 0.361 5.001 4.640 0.000 0.000 0.250 66 D C -2.469 173.961 176.300 0.217 0.000 1.279 66 D CA -1.788 52.299 54.000 0.146 0.000 0.925 66 D CB 1.890 42.775 40.800 0.141 0.000 1.261 66 D HN -0.130 nan 8.370 nan 0.000 0.567 67 P HA 0.428 nan 4.420 nan 0.000 0.278 67 P C 0.735 178.067 177.300 0.053 0.000 1.258 67 P CA 0.133 63.280 63.100 0.078 0.000 0.811 67 P CB 1.335 32.977 31.700 -0.097 0.000 1.063 68 G N 0.904 109.731 108.800 0.045 0.000 2.213 68 G HA2 -0.220 3.740 3.960 0.000 0.000 0.226 68 G HA3 -0.220 3.740 3.960 0.000 0.000 0.226 68 G C 0.206 175.170 174.900 0.107 0.000 0.992 68 G CA -0.015 45.122 45.100 0.062 0.000 0.632 68 G HN 0.570 nan 8.290 nan 0.000 0.511 69 Q N 0.365 120.203 119.800 0.064 0.000 2.248 69 Q HA 0.309 4.649 4.340 0.000 0.000 0.324 69 Q C 1.224 177.117 176.000 -0.179 0.000 0.867 69 Q CA 0.548 56.336 55.803 -0.025 0.000 1.101 69 Q CB 0.659 29.324 28.738 -0.123 0.000 1.328 69 Q HN 0.480 nan 8.270 nan 0.000 0.408 70 T N -2.844 111.722 114.554 0.021 0.000 3.160 70 T HA -0.106 4.244 4.350 0.000 0.000 0.257 70 T C 1.429 176.161 174.700 0.054 0.000 1.147 70 T CA 0.498 62.613 62.100 0.025 0.000 1.064 70 T CB -0.410 68.510 68.868 0.086 0.000 0.949 70 T HN 0.543 nan 8.240 nan 0.000 0.526 71 Y N 1.272 121.614 120.300 0.070 0.000 2.457 71 Y HA 0.365 4.915 4.550 0.000 0.000 0.292 71 Y C 2.032 177.977 175.900 0.075 0.000 1.125 71 Y CA 0.028 58.176 58.100 0.080 0.000 1.254 71 Y CB -0.274 38.249 38.460 0.105 0.000 1.012 71 Y HN 0.087 nan 8.280 nan 0.000 0.555 72 K N -0.134 119.924 120.400 -0.570 0.000 2.137 72 K HA 0.080 4.400 4.320 0.000 0.000 0.202 72 K C -0.056 176.448 176.600 -0.161 0.000 1.052 72 K CA 1.133 57.184 56.287 -0.393 0.000 0.961 72 K CB 0.210 32.378 32.500 -0.553 0.000 0.741 72 K HN 0.246 nan 8.250 nan 0.000 0.452 73 E N 0.014 120.150 120.200 -0.107 0.000 2.381 73 E HA 0.043 4.393 4.350 0.000 0.000 0.281 73 E C -2.260 174.345 176.600 0.007 0.000 1.151 73 E CA -0.404 55.990 56.400 -0.011 0.000 0.904 73 E CB 1.041 30.755 29.700 0.023 0.000 1.234 73 E HN 0.116 nan 8.360 nan 0.000 0.427 74 D N 0.858 121.281 120.400 0.037 0.000 2.732 74 D HA 0.370 5.010 4.640 0.000 0.000 0.292 74 D C 0.855 177.177 176.300 0.036 0.000 1.135 74 D CA -0.616 53.412 54.000 0.047 0.000 1.071 74 D CB 0.043 40.882 40.800 0.065 0.000 1.457 74 D HN 0.399 nan 8.370 nan 0.000 0.547 75 I N -0.205 120.384 120.570 0.032 0.000 2.208 75 I HA -0.203 3.968 4.170 0.000 0.000 0.245 75 I C 2.354 178.468 176.117 -0.004 0.000 1.097 75 I CA 1.578 62.877 61.300 -0.003 0.000 1.363 75 I CB -0.155 37.820 38.000 -0.040 0.000 1.051 75 I HN 0.586 nan 8.210 nan 0.000 0.413 76 E N 0.780 120.986 120.200 0.011 0.000 2.028 76 E HA -0.240 4.110 4.350 0.000 0.000 0.191 76 E C 2.304 178.916 176.600 0.020 0.000 0.988 76 E CA 1.827 58.235 56.400 0.014 0.000 0.799 76 E CB -0.030 29.684 29.700 0.025 0.000 0.755 76 E HN 0.490 nan 8.360 nan 0.000 0.447 77 S N -0.135 115.584 115.700 0.032 0.000 2.368 77 S HA -0.075 4.395 4.470 0.000 0.000 0.225 77 S C 2.225 176.839 174.600 0.023 0.000 1.030 77 S CA 1.120 59.345 58.200 0.041 0.000 0.999 77 S CB -0.968 62.268 63.200 0.059 0.000 0.844 77 S HN 0.412 nan 8.310 nan 0.000 0.459 78 G N 1.302 110.107 108.800 0.008 0.000 2.476 78 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 78 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 78 G C 1.626 176.473 174.900 -0.089 0.000 1.164 78 G CA 1.192 46.258 45.100 -0.055 0.000 0.768 78 G HN 0.619 nan 8.290 nan 0.000 0.560 79 S N 0.004 115.676 115.700 -0.046 0.000 2.428 79 S HA 0.015 4.485 4.470 0.000 0.000 0.230 79 S C 2.333 176.919 174.600 -0.023 0.000 1.014 79 S CA 0.700 58.878 58.200 -0.037 0.000 0.957 79 S CB -0.050 63.138 63.200 -0.021 0.000 0.784 79 S HN 0.399 nan 8.310 nan 0.000 0.499 80 R N 0.539 121.033 120.500 -0.010 0.000 2.062 80 R HA -0.006 4.334 4.340 0.000 0.000 0.231 80 R C 2.449 178.726 176.300 -0.038 0.000 1.136 80 R CA 1.511 57.613 56.100 0.003 0.000 0.948 80 R CB -0.757 29.564 30.300 0.034 0.000 0.845 80 R HN 0.355 nan 8.270 nan 0.000 0.430 81 C N 0.376 119.651 119.300 -0.041 0.000 2.413 81 C HA -0.127 4.333 4.460 0.000 0.000 0.277 81 C C 2.896 177.836 174.990 -0.084 0.000 1.265 81 C CA 0.809 59.792 59.018 -0.058 0.000 1.752 81 C CB -1.053 26.640 27.740 -0.078 0.000 1.998 81 C HN 0.618 nan 8.230 nan 0.000 0.489 82 A N 1.046 123.813 122.820 -0.088 0.000 1.845 82 A HA -0.120 4.200 4.320 0.000 0.000 0.215 82 A C 2.361 179.985 177.584 0.066 0.000 1.195 82 A CA 2.605 54.645 52.037 0.005 0.000 0.616 82 A CB -1.099 17.884 19.000 -0.028 0.000 0.832 82 A HN 0.662 nan 8.150 nan 0.000 0.443 83 V N -2.136 117.757 119.914 -0.035 0.000 2.407 83 V HA -0.087 4.033 4.120 0.000 0.000 0.248 83 V C 2.531 178.378 176.094 -0.411 0.000 1.055 83 V CA 1.988 64.227 62.300 -0.102 0.000 1.049 83 V CB -1.605 30.214 31.823 -0.006 0.000 0.662 83 V HN 0.579 nan 8.190 nan 0.000 0.455 84 A N 0.999 123.446 122.820 -0.623 0.000 2.070 84 A HA 0.114 4.434 4.320 0.000 0.000 0.220 84 A C 2.129 179.251 177.584 -0.770 0.000 1.159 84 A CA 1.646 52.893 52.037 -1.316 0.000 0.656 84 A CB -1.096 17.455 19.000 -0.747 0.000 0.800 84 A HN 0.878 nan 8.150 nan 0.000 0.453 85 G N -2.570 106.043 108.800 -0.312 0.000 3.434 85 G HA2 0.414 4.374 3.960 0.000 0.000 0.258 85 G HA3 0.414 4.374 3.960 0.000 0.000 0.258 85 G C 0.997 175.758 174.900 -0.233 0.000 1.128 85 G CA 0.421 45.458 45.100 -0.105 0.000 0.792 85 G HN 1.528 nan 8.290 nan 0.000 0.539 86 G N -0.500 108.065 108.800 -0.391 0.000 2.175 86 G HA2 -0.262 3.699 3.960 0.000 0.000 0.244 86 G HA3 -0.262 3.699 3.960 0.000 0.000 0.244 86 G C 0.115 174.555 174.900 -0.766 0.000 0.982 86 G CA -0.243 44.417 45.100 -0.733 0.000 0.641 86 G HN 0.299 nan 8.290 nan 0.000 0.527 87 F N 1.839 121.709 119.950 -0.134 0.000 2.424 87 F HA 0.499 5.026 4.527 0.000 0.000 0.356 87 F C 1.732 177.499 175.800 -0.055 0.000 1.110 87 F CA 0.475 58.460 58.000 -0.026 0.000 1.161 87 F CB 1.628 40.636 39.000 0.013 0.000 1.115 87 F HN 0.084 nan 8.300 nan 0.000 0.507 88 T N -2.343 112.272 114.554 0.102 0.000 3.001 88 T HA 0.177 4.527 4.350 0.000 0.000 0.251 88 T C 0.467 175.213 174.700 0.077 0.000 1.040 88 T CA 0.057 62.189 62.100 0.054 0.000 0.985 88 T CB 0.001 68.872 68.868 0.005 0.000 1.011 88 T HN 0.429 nan 8.240 nan 0.000 0.509 89 T N 3.033 117.666 114.554 0.132 0.000 2.928 89 T HA 0.679 5.029 4.350 0.000 0.000 0.296 89 T C -0.679 174.089 174.700 0.113 0.000 1.000 89 T CA -0.837 61.321 62.100 0.097 0.000 0.989 89 T CB 1.706 70.622 68.868 0.081 0.000 1.005 89 T HN 0.515 nan 8.240 nan 0.000 0.442 90 I N -0.630 119.961 120.570 0.035 0.000 2.934 90 I HA 0.913 5.083 4.170 0.000 0.000 0.306 90 I C -1.391 174.702 176.117 -0.040 0.000 1.110 90 I CA -1.413 59.876 61.300 -0.018 0.000 1.019 90 I CB 2.177 40.128 38.000 -0.082 0.000 1.227 90 I HN 0.264 nan 8.210 nan 0.000 0.434 91 V N 3.703 123.581 119.914 -0.060 0.000 2.378 91 V HA 0.298 4.418 4.120 0.000 0.000 0.288 91 V C 0.212 176.248 176.094 -0.096 0.000 1.016 91 V CA -0.560 61.692 62.300 -0.081 0.000 0.840 91 V CB 1.235 33.000 31.823 -0.097 0.000 0.994 91 V HN 1.039 nan 8.190 nan 0.000 0.431 92 C N 5.842 125.085 119.300 -0.095 0.000 2.401 92 C HA 0.724 5.184 4.460 0.000 0.000 0.365 92 C C 0.252 175.164 174.990 -0.129 0.000 1.250 92 C CA -1.000 57.957 59.018 -0.101 0.000 2.131 92 C CB 0.386 28.089 27.740 -0.061 0.000 2.445 92 C HN 0.731 nan 8.230 nan 0.000 0.550 93 M N 4.323 123.807 119.600 -0.194 0.000 2.241 93 M HA 0.309 4.789 4.480 0.000 0.000 0.335 93 M C -1.287 174.983 176.300 -0.049 0.000 1.122 93 M CA -2.530 52.653 55.300 -0.195 0.000 1.164 93 M CB 0.617 32.938 32.600 -0.465 0.000 1.459 93 M HN 0.596 nan 8.290 nan 0.000 0.461 94 P HA 0.048 nan 4.420 nan 0.000 0.262 94 P C -0.081 177.270 177.300 0.086 0.000 1.304 94 P CA 0.321 63.452 63.100 0.053 0.000 0.859 94 P CB -0.259 31.481 31.700 0.067 0.000 1.310 95 N N 0.632 119.405 118.700 0.121 0.000 2.652 95 N HA 0.002 4.742 4.740 0.000 0.000 0.259 95 N C 0.186 175.767 175.510 0.118 0.000 1.240 95 N CA 0.076 53.204 53.050 0.129 0.000 0.951 95 N CB -1.127 37.458 38.487 0.163 0.000 1.281 95 N HN 0.064 nan 8.380 nan 0.000 0.507 96 T N -2.229 112.384 114.554 0.098 0.000 2.814 96 T HA 0.289 4.639 4.350 0.000 0.000 0.284 96 T C -0.117 174.624 174.700 0.068 0.000 0.998 96 T CA -0.837 61.314 62.100 0.085 0.000 0.935 96 T CB 0.858 69.779 68.868 0.088 0.000 1.167 96 T HN 0.196 nan 8.240 nan 0.000 0.545 97 N N 1.844 120.578 118.700 0.057 0.000 2.540 97 N HA 0.408 5.148 4.740 0.000 0.000 0.275 97 N C -2.957 172.564 175.510 0.019 0.000 1.053 97 N CA -1.989 51.087 53.050 0.043 0.000 0.876 97 N CB 1.466 39.985 38.487 0.053 0.000 1.284 97 N HN 0.396 nan 8.380 nan 0.000 0.518 98 P HA 0.268 nan 4.420 nan 0.000 0.272 98 P C -2.746 174.576 177.300 0.037 0.000 1.223 98 P CA -0.978 62.132 63.100 0.017 0.000 0.784 98 P CB 0.276 31.977 31.700 0.002 0.000 0.923 99 P HA 0.156 nan 4.420 nan 0.000 0.272 99 P C 0.242 177.579 177.300 0.061 0.000 1.230 99 P CA -0.041 63.093 63.100 0.057 0.000 0.788 99 P CB 0.466 32.199 31.700 0.054 0.000 0.949 100 I N 1.980 122.594 120.570 0.073 0.000 2.501 100 I HA -0.017 4.153 4.170 0.000 0.000 0.305 100 I C 0.666 176.837 176.117 0.089 0.000 1.197 100 I CA 0.656 62.003 61.300 0.079 0.000 1.793 100 I CB -0.972 37.073 38.000 0.075 0.000 1.521 100 I HN 0.334 nan 8.210 nan 0.000 0.843 101 D N 2.267 122.707 120.400 0.066 0.000 2.540 101 D HA 0.070 4.710 4.640 0.000 0.000 0.229 101 D C -0.118 176.198 176.300 0.027 0.000 1.250 101 D CA -0.327 53.703 54.000 0.048 0.000 0.817 101 D CB 0.078 40.891 40.800 0.022 0.000 1.060 101 D HN 0.508 nan 8.370 nan 0.000 0.508 102 N N -1.555 117.169 118.700 0.041 0.000 2.610 102 N HA 0.217 4.957 4.740 0.000 0.000 0.264 102 N C 0.643 176.180 175.510 0.046 0.000 1.348 102 N CA -0.182 52.887 53.050 0.032 0.000 0.819 102 N CB 1.080 39.579 38.487 0.019 0.000 1.521 102 N HN -0.190 nan 8.380 nan 0.000 0.497 103 T N -4.209 110.368 114.554 0.039 0.000 3.035 103 T HA -0.043 4.307 4.350 0.000 0.000 0.268 103 T C 1.166 175.896 174.700 0.049 0.000 1.109 103 T CA 1.492 63.616 62.100 0.041 0.000 1.119 103 T CB -0.775 68.110 68.868 0.028 0.000 0.900 103 T HN 0.540 nan 8.240 nan 0.000 0.503 104 T N 2.049 116.633 114.554 0.049 0.000 2.777 104 T HA -0.026 4.324 4.350 0.000 0.000 0.266 104 T C 2.120 176.879 174.700 0.098 0.000 1.040 104 T CA 1.201 63.337 62.100 0.061 0.000 1.141 104 T CB -0.490 68.402 68.868 0.040 0.000 0.868 104 T HN 0.283 nan 8.240 nan 0.000 0.444 105 V N 1.355 121.323 119.914 0.089 0.000 2.307 105 V HA -0.142 3.978 4.120 0.000 0.000 0.245 105 V C 2.683 178.868 176.094 0.152 0.000 1.045 105 V CA 1.189 63.569 62.300 0.132 0.000 1.024 105 V CB -0.872 31.007 31.823 0.093 0.000 0.651 105 V HN 0.295 nan 8.190 nan 0.000 0.449 106 V N 0.881 120.851 119.914 0.093 0.000 2.231 106 V HA -0.319 3.801 4.120 0.000 0.000 0.248 106 V C 2.374 178.496 176.094 0.046 0.000 1.054 106 V CA 2.477 64.813 62.300 0.059 0.000 1.015 106 V CB -0.912 30.936 31.823 0.041 0.000 0.638 106 V HN 0.582 nan 8.190 nan 0.000 0.444 107 N N -0.834 117.900 118.700 0.056 0.000 2.166 107 N HA -0.206 4.534 4.740 0.000 0.000 0.186 107 N C 1.814 177.352 175.510 0.046 0.000 1.019 107 N CA 1.890 54.964 53.050 0.040 0.000 0.856 107 N CB -0.470 38.044 38.487 0.045 0.000 0.993 107 N HN 0.696 nan 8.380 nan 0.000 0.426 108 Y N 1.987 122.292 120.300 0.007 0.000 2.114 108 Y HA -0.172 4.378 4.550 0.000 0.000 0.282 108 Y C 2.220 178.124 175.900 0.007 0.000 1.165 108 Y CA 1.481 59.587 58.100 0.009 0.000 1.148 108 Y CB -0.591 37.876 38.460 0.013 0.000 0.972 108 Y HN -0.033 nan 8.280 nan 0.000 0.504 109 I N -0.213 120.196 120.570 -0.268 0.000 2.179 109 I HA -0.333 3.837 4.170 0.000 0.000 0.242 109 I C 2.446 178.424 176.117 -0.232 0.000 1.088 109 I CA 1.423 62.534 61.300 -0.314 0.000 1.357 109 I CB -0.507 37.447 38.000 -0.076 0.000 1.051 109 I HN 0.271 nan 8.210 nan 0.000 0.409 110 L N -0.064 121.080 121.223 -0.131 0.000 2.012 110 L HA -0.247 4.093 4.340 0.000 0.000 0.210 110 L C 2.765 179.571 176.870 -0.108 0.000 1.073 110 L CA 1.368 56.151 54.840 -0.096 0.000 0.748 110 L CB -0.710 41.316 42.059 -0.054 0.000 0.891 110 L HN 0.344 nan 8.230 nan 0.000 0.431 111 Q N -0.087 119.643 119.800 -0.118 0.000 2.083 111 Q HA -0.200 4.140 4.340 0.000 0.000 0.198 111 Q C 2.205 178.124 176.000 -0.134 0.000 0.969 111 Q CA 1.165 56.911 55.803 -0.095 0.000 0.838 111 Q CB -0.150 28.556 28.738 -0.053 0.000 0.900 111 Q HN 0.231 nan 8.270 nan 0.000 0.436 112 K N 1.101 121.347 120.400 -0.257 0.000 2.026 112 K HA -0.104 4.216 4.320 0.000 0.000 0.208 112 K C 2.105 178.609 176.600 -0.160 0.000 1.048 112 K CA 1.735 57.869 56.287 -0.254 0.000 0.929 112 K CB -0.672 31.526 32.500 -0.503 0.000 0.713 112 K HN 0.088 nan 8.250 nan 0.000 0.439 113 S N -0.030 115.572 115.700 -0.162 0.000 2.399 113 S HA -0.142 4.328 4.470 0.000 0.000 0.231 113 S C 2.013 176.573 174.600 -0.067 0.000 1.022 113 S CA 1.498 59.639 58.200 -0.100 0.000 0.983 113 S CB -0.283 62.861 63.200 -0.093 0.000 0.803 113 S HN 0.428 nan 8.310 nan 0.000 0.480 114 K N 0.339 120.699 120.400 -0.067 0.000 2.057 114 K HA -0.004 4.316 4.320 0.000 0.000 0.206 114 K C 2.301 178.881 176.600 -0.034 0.000 1.050 114 K CA 1.379 57.639 56.287 -0.044 0.000 0.935 114 K CB -0.336 32.139 32.500 -0.041 0.000 0.715 114 K HN 0.376 nan 8.250 nan 0.000 0.439 115 S N 0.429 116.106 115.700 -0.040 0.000 2.368 115 S HA -0.115 4.355 4.470 0.000 0.000 0.225 115 S C 1.874 176.464 174.600 -0.017 0.000 1.030 115 S CA 1.291 59.476 58.200 -0.024 0.000 0.999 115 S CB -0.097 63.089 63.200 -0.023 0.000 0.844 115 S HN 0.116 nan 8.310 nan 0.000 0.459 116 V N 0.824 120.723 119.914 -0.024 0.000 2.515 116 V HA -0.007 4.113 4.120 0.000 0.000 0.250 116 V C 1.847 177.937 176.094 -0.007 0.000 1.058 116 V CA 1.094 63.386 62.300 -0.013 0.000 1.064 116 V CB -1.622 30.190 31.823 -0.018 0.000 0.675 116 V HN 0.650 nan 8.190 nan 0.000 0.461 117 G N -0.027 108.765 108.800 -0.013 0.000 2.341 117 G HA2 -0.295 3.665 3.960 0.000 0.000 0.292 117 G HA3 -0.295 3.665 3.960 0.000 0.000 0.292 117 G C 0.536 175.436 174.900 0.000 0.000 1.021 117 G CA 0.938 46.033 45.100 -0.008 0.000 0.905 117 G HN 0.506 nan 8.290 nan 0.000 0.508 118 L N -2.060 119.164 121.223 0.002 0.000 2.537 118 L HA 0.406 4.746 4.340 0.000 0.000 0.224 118 L C 1.210 178.087 176.870 0.011 0.000 1.065 118 L CA 0.518 55.365 54.840 0.012 0.000 0.860 118 L CB 0.958 43.028 42.059 0.019 0.000 1.086 118 L HN 0.446 nan 8.230 nan 0.000 0.482 119 C N 0.210 119.512 119.300 0.004 0.000 2.989 119 C HA 0.372 4.832 4.460 0.000 0.000 0.397 119 C C -0.226 174.763 174.990 -0.002 0.000 1.022 119 C CA -1.112 57.911 59.018 0.008 0.000 1.232 119 C CB 1.393 29.136 27.740 0.005 0.000 1.638 119 C HN 0.334 nan 8.230 nan 0.000 0.534 120 R N 3.514 124.016 120.500 0.004 0.000 2.458 120 R HA 0.475 4.815 4.340 0.000 0.000 0.303 120 R C -0.773 175.519 176.300 -0.014 0.000 1.013 120 R CA 0.330 56.426 56.100 -0.006 0.000 1.026 120 R CB 0.385 30.686 30.300 0.002 0.000 0.948 120 R HN 0.624 nan 8.270 nan 0.000 0.417 121 V N 7.486 127.382 119.914 -0.031 0.000 2.357 121 V HA 0.289 4.409 4.120 0.000 0.000 0.284 121 V C -0.171 175.894 176.094 -0.049 0.000 1.018 121 V CA -0.666 61.608 62.300 -0.043 0.000 0.841 121 V CB 1.388 33.179 31.823 -0.054 0.000 0.991 121 V HN 0.642 nan 8.190 nan 0.000 0.437 122 L N 8.441 129.633 121.223 -0.052 0.000 2.280 122 L HA 0.511 4.851 4.340 0.000 0.000 0.287 122 L C -2.281 174.542 176.870 -0.079 0.000 1.023 122 L CA -1.642 53.160 54.840 -0.063 0.000 0.819 122 L CB 2.184 44.206 42.059 -0.063 0.000 1.212 122 L HN 0.423 nan 8.230 nan 0.000 0.420 123 P HA 0.294 nan 4.420 nan 0.000 0.278 123 P C -0.687 176.539 177.300 -0.124 0.000 1.258 123 P CA -0.371 62.682 63.100 -0.078 0.000 0.811 123 P CB 1.315 32.988 31.700 -0.045 0.000 1.063 124 T N -2.522 111.956 114.554 -0.127 0.000 2.932 124 T HA 0.752 5.102 4.350 0.000 0.000 0.289 124 T C 0.279 174.925 174.700 -0.090 0.000 1.039 124 T CA -0.840 61.141 62.100 -0.198 0.000 1.024 124 T CB 1.446 70.200 68.868 -0.191 0.000 1.090 124 T HN 0.460 nan 8.240 nan 0.000 0.496 125 G N 0.518 109.280 108.800 -0.064 0.000 2.491 125 G HA2 0.592 4.552 3.960 0.000 0.000 0.327 125 G HA3 0.592 4.552 3.960 0.000 0.000 0.327 125 G C 0.172 175.297 174.900 0.375 0.000 1.189 125 G CA -0.597 44.666 45.100 0.272 0.000 0.956 125 G HN 1.089 nan 8.290 nan 0.000 0.491 126 T N -1.606 113.132 114.554 0.307 0.000 2.813 126 T HA 0.253 4.603 4.350 0.000 0.000 0.297 126 T C 1.460 176.378 174.700 0.364 0.000 1.036 126 T CA -0.461 61.789 62.100 0.251 0.000 1.044 126 T CB 1.104 70.052 68.868 0.133 0.000 0.993 126 T HN 0.234 nan 8.240 nan 0.000 0.535 127 I N 0.840 121.594 120.570 0.306 0.000 2.333 127 I HA 0.041 4.211 4.170 0.000 0.000 0.246 127 I C 1.505 177.738 176.117 0.193 0.000 1.106 127 I CA 0.742 62.263 61.300 0.367 0.000 1.411 127 I CB -0.212 37.943 38.000 0.257 0.000 1.082 127 I HN 0.873 nan 8.210 nan 0.000 0.420 128 T N -1.480 113.130 114.554 0.093 0.000 2.924 128 T HA 0.388 4.738 4.350 0.000 0.000 0.291 128 T C -0.326 174.365 174.700 -0.014 0.000 1.045 128 T CA -1.024 61.085 62.100 0.014 0.000 1.015 128 T CB 1.656 70.545 68.868 0.035 0.000 1.103 128 T HN -0.058 nan 8.240 nan 0.000 0.496 129 K N 1.001 121.372 120.400 -0.049 0.000 2.447 129 K HA 0.378 4.698 4.320 0.000 0.000 0.281 129 K C 1.378 177.975 176.600 -0.007 0.000 1.031 129 K CA 0.755 57.018 56.287 -0.040 0.000 1.019 129 K CB 0.096 32.565 32.500 -0.052 0.000 0.918 129 K HN 1.104 nan 8.250 nan 0.000 0.476 130 G N 3.137 111.941 108.800 0.006 0.000 2.175 130 G HA2 -0.410 3.550 3.960 0.000 0.000 0.265 130 G HA3 -0.410 3.550 3.960 0.000 0.000 0.265 130 G C 0.268 175.186 174.900 0.030 0.000 0.979 130 G CA 0.520 45.631 45.100 0.018 0.000 0.663 130 G HN 0.816 nan 8.290 nan 0.000 0.533 131 R N -1.735 118.788 120.500 0.038 0.000 3.741 131 R HA -0.236 4.104 4.340 0.000 0.000 0.292 131 R C 1.570 177.893 176.300 0.039 0.000 1.176 131 R CA 1.649 57.778 56.100 0.048 0.000 0.794 131 R CB -1.400 28.934 30.300 0.056 0.000 1.213 131 R HN 0.568 nan 8.270 nan 0.000 0.494 132 K N -0.198 120.219 120.400 0.028 0.000 2.459 132 K HA 0.059 4.379 4.320 0.000 0.000 0.193 132 K C 1.478 178.094 176.600 0.025 0.000 1.030 132 K CA 0.685 56.986 56.287 0.023 0.000 1.026 132 K CB 0.417 32.926 32.500 0.015 0.000 0.809 132 K HN 0.516 nan 8.250 nan 0.000 0.504 133 G N 1.407 110.225 108.800 0.031 0.000 2.179 133 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 133 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 133 G C 0.888 175.804 174.900 0.027 0.000 0.977 133 G CA 0.515 45.636 45.100 0.036 0.000 0.641 133 G HN 0.161 nan 8.290 nan 0.000 0.533 134 K N 0.118 120.527 120.400 0.016 0.000 2.287 134 K HA 0.205 4.525 4.320 0.000 0.000 0.199 134 K C 0.731 177.332 176.600 0.002 0.000 1.061 134 K CA 0.743 57.035 56.287 0.009 0.000 0.976 134 K CB 0.599 33.101 32.500 0.004 0.000 0.898 134 K HN 0.610 nan 8.250 nan 0.000 0.492 135 E N 1.575 121.770 120.200 -0.009 0.000 2.234 135 E HA 0.290 4.640 4.350 0.000 0.000 0.266 135 E C -0.396 176.172 176.600 -0.054 0.000 0.877 135 E CA -0.661 55.722 56.400 -0.029 0.000 0.758 135 E CB 2.246 31.921 29.700 -0.042 0.000 1.170 135 E HN 0.078 nan 8.360 nan 0.000 0.415 136 I N -0.109 120.421 120.570 -0.067 0.000 2.752 136 I HA 0.299 4.469 4.170 0.000 0.000 0.287 136 I C 0.442 176.337 176.117 -0.371 0.000 1.188 136 I CA -0.336 60.874 61.300 -0.151 0.000 1.427 136 I CB 0.467 38.439 38.000 -0.045 0.000 1.365 136 I HN 0.444 nan 8.210 nan 0.000 0.585 137 A N 3.968 126.427 122.820 -0.602 0.000 2.280 137 A HA 0.125 4.445 4.320 0.000 0.000 0.268 137 A C 0.236 177.247 177.584 -0.954 0.000 1.111 137 A CA -0.351 51.317 52.037 -0.615 0.000 0.814 137 A CB 0.201 18.937 19.000 -0.440 0.000 1.093 137 A HN 0.845 nan 8.150 nan 0.000 0.498 138 D N 0.551 120.628 120.400 -0.540 0.000 2.551 138 D HA 0.210 4.850 4.640 0.000 0.000 0.223 138 D C 0.469 176.563 176.300 -0.343 0.000 1.144 138 D CA -0.132 53.642 54.000 -0.376 0.000 1.025 138 D CB -0.739 39.978 40.800 -0.138 0.000 1.085 138 D HN 0.313 nan 8.370 nan 0.000 0.506 139 F N 1.312 121.108 119.950 -0.256 0.000 2.120 139 F HA -0.214 4.313 4.527 0.000 0.000 0.300 139 F C 1.989 177.782 175.800 -0.012 0.000 1.095 139 F CA 0.944 58.674 58.000 -0.450 0.000 1.249 139 F CB -1.263 37.389 39.000 -0.581 0.000 0.995 139 F HN 0.418 nan 8.300 nan 0.000 0.480 140 Y N 0.693 121.047 120.300 0.090 0.000 2.133 140 Y HA -0.216 4.334 4.550 0.000 0.000 0.287 140 Y C 2.593 178.549 175.900 0.094 0.000 1.134 140 Y CA 1.890 60.050 58.100 0.101 0.000 1.133 140 Y CB -0.702 37.792 38.460 0.056 0.000 0.987 140 Y HN -0.054 nan 8.280 nan 0.000 0.502 141 S N 0.655 116.386 115.700 0.052 0.000 2.382 141 S HA -0.169 4.301 4.470 0.000 0.000 0.228 141 S C 2.027 176.610 174.600 -0.028 0.000 1.027 141 S CA 1.576 59.752 58.200 -0.039 0.000 0.991 141 S CB -0.533 62.699 63.200 0.053 0.000 0.823 141 S HN 0.439 nan 8.310 nan 0.000 0.469 142 L N 1.201 122.471 121.223 0.078 0.000 2.005 142 L HA -0.120 4.220 4.340 0.000 0.000 0.207 142 L C 2.512 179.486 176.870 0.175 0.000 1.072 142 L CA 1.470 56.418 54.840 0.179 0.000 0.744 142 L CB -0.528 41.757 42.059 0.376 0.000 0.895 142 L HN 0.255 nan 8.230 nan 0.000 0.433 143 K N 0.462 121.020 120.400 0.264 0.000 2.032 143 K HA -0.219 4.101 4.320 0.000 0.000 0.209 143 K C 1.932 178.517 176.600 -0.025 0.000 1.048 143 K CA 1.595 57.962 56.287 0.134 0.000 0.927 143 K CB -0.200 32.425 32.500 0.208 0.000 0.712 143 K HN 0.140 nan 8.250 nan 0.000 0.441 144 E N 0.193 120.305 120.200 -0.147 0.000 2.160 144 E HA -0.170 4.180 4.350 0.000 0.000 0.195 144 E C 1.947 178.492 176.600 -0.092 0.000 0.991 144 E CA 1.377 57.667 56.400 -0.184 0.000 0.810 144 E CB -0.327 29.152 29.700 -0.369 0.000 0.742 144 E HN 0.541 nan 8.360 nan 0.000 0.466 145 A N -0.226 122.560 122.820 -0.057 0.000 2.167 145 A HA 0.215 4.535 4.320 0.000 0.000 0.214 145 A C 1.783 179.353 177.584 -0.023 0.000 1.151 145 A CA 1.416 53.437 52.037 -0.027 0.000 0.735 145 A CB 0.085 19.083 19.000 -0.003 0.000 0.802 145 A HN 0.339 nan 8.150 nan 0.000 0.467 146 G N -2.672 106.111 108.800 -0.029 0.000 2.273 146 G HA2 -0.149 3.811 3.960 0.000 0.000 0.162 146 G HA3 -0.149 3.811 3.960 0.000 0.000 0.162 146 G C 0.139 175.002 174.900 -0.062 0.000 1.006 146 G CA -0.223 44.853 45.100 -0.040 0.000 0.704 146 G HN 0.461 nan 8.290 nan 0.000 0.487 147 C N 1.707 120.968 119.300 -0.064 0.000 2.611 147 C HA 0.390 4.850 4.460 0.000 0.000 0.416 147 C C 2.257 177.106 174.990 -0.235 0.000 1.366 147 C CA 0.606 59.526 59.018 -0.163 0.000 1.761 147 C CB 0.592 28.210 27.740 -0.204 0.000 2.619 147 C HN 0.938 nan 8.230 nan 0.000 0.606 148 V N 0.745 120.499 119.914 -0.267 0.000 3.621 148 V HA 0.601 4.721 4.120 0.000 0.000 0.285 148 V C 0.583 176.479 176.094 -0.331 0.000 1.346 148 V CA 0.837 62.994 62.300 -0.239 0.000 1.104 148 V CB -1.089 30.640 31.823 -0.157 0.000 0.913 148 V HN 1.209 nan 8.190 nan 0.000 0.432 149 A N -0.374 122.117 122.820 -0.549 0.000 2.522 149 A HA 0.768 5.088 4.320 0.000 0.000 0.291 149 A C -1.848 175.210 177.584 -0.878 0.000 1.039 149 A CA -0.486 51.217 52.037 -0.556 0.000 0.643 149 A CB 0.736 19.544 19.000 -0.319 0.000 1.310 149 A HN 0.234 nan 8.150 nan 0.000 0.436 150 F N 0.209 120.129 119.950 -0.050 0.000 2.529 150 F HA 0.827 5.354 4.527 0.000 0.000 0.320 150 F C 0.560 176.356 175.800 -0.007 0.000 1.118 150 F CA -0.238 57.773 58.000 0.018 0.000 0.915 150 F CB 2.659 41.694 39.000 0.060 0.000 1.161 150 F HN 0.652 nan 8.300 nan 0.000 0.445 151 T N 0.798 115.454 114.554 0.169 0.000 2.894 151 T HA 0.297 4.647 4.350 0.000 0.000 0.309 151 T C -0.589 174.191 174.700 0.132 0.000 1.208 151 T CA -0.492 61.670 62.100 0.104 0.000 1.016 151 T CB 1.439 70.311 68.868 0.006 0.000 1.192 151 T HN 0.513 nan 8.240 nan 0.000 0.491 152 D N 1.689 122.163 120.400 0.122 0.000 2.340 152 D HA 0.176 4.816 4.640 0.000 0.000 0.217 152 D C 0.040 176.394 176.300 0.091 0.000 1.081 152 D CA -0.071 53.995 54.000 0.110 0.000 0.842 152 D CB 0.094 40.957 40.800 0.105 0.000 0.934 152 D HN 0.627 nan 8.370 nan 0.000 0.511 153 D N -0.365 120.097 120.400 0.104 0.000 2.752 153 D HA -0.028 4.612 4.640 0.000 0.000 0.225 153 D C 1.320 177.697 176.300 0.128 0.000 1.104 153 D CA 0.550 54.622 54.000 0.120 0.000 0.832 153 D CB 0.639 41.530 40.800 0.153 0.000 1.161 153 D HN 0.136 nan 8.370 nan 0.000 0.505 154 G N 2.529 111.364 108.800 0.058 0.000 3.518 154 G HA2 0.159 4.119 3.960 0.000 0.000 0.273 154 G HA3 0.159 4.119 3.960 0.000 0.000 0.273 154 G C -0.041 174.619 174.900 -0.399 0.000 1.199 154 G CA -0.365 44.641 45.100 -0.158 0.000 0.899 154 G HN 0.382 nan 8.290 nan 0.000 0.533 155 S N 1.482 117.092 115.700 -0.150 0.000 2.578 155 S HA 0.576 5.046 4.470 0.000 0.000 0.283 155 S C -2.335 172.310 174.600 0.075 0.000 1.195 155 S CA -0.972 57.192 58.200 -0.060 0.000 1.050 155 S CB 2.434 65.642 63.200 0.014 0.000 1.012 155 S HN 0.162 nan 8.310 nan 0.000 0.511 156 P HA 0.275 nan 4.420 nan 0.000 0.276 156 P C -1.049 176.326 177.300 0.124 0.000 1.244 156 P CA -0.510 62.719 63.100 0.215 0.000 0.801 156 P CB 0.541 32.375 31.700 0.223 0.000 1.006 157 V N 3.709 123.686 119.914 0.106 0.000 2.406 157 V HA 0.095 4.215 4.120 0.000 0.000 0.272 157 V C 1.615 177.748 176.094 0.066 0.000 1.043 157 V CA -0.093 62.255 62.300 0.079 0.000 0.915 157 V CB 0.689 32.555 31.823 0.072 0.000 0.988 157 V HN 0.510 nan 8.190 nan 0.000 0.466 158 M N 1.388 121.023 119.600 0.058 0.000 2.486 158 M HA 0.166 4.646 4.480 0.000 0.000 0.264 158 M C 0.753 177.076 176.300 0.038 0.000 1.125 158 M CA 0.632 55.961 55.300 0.050 0.000 1.144 158 M CB -0.374 32.254 32.600 0.047 0.000 1.353 158 M HN 0.650 nan 8.290 nan 0.000 0.466 159 D N 0.636 121.058 120.400 0.036 0.000 2.316 159 D HA 0.173 4.813 4.640 0.000 0.000 0.245 159 D C 0.511 176.828 176.300 0.028 0.000 1.171 159 D CA 0.159 54.176 54.000 0.029 0.000 0.856 159 D CB 1.342 42.159 40.800 0.028 0.000 1.090 159 D HN -0.030 nan 8.370 nan 0.000 0.476 160 S N 1.962 117.675 115.700 0.022 0.000 2.399 160 S HA -0.175 4.295 4.470 0.000 0.000 0.231 160 S C 2.003 176.612 174.600 0.015 0.000 1.022 160 S CA 1.347 59.557 58.200 0.017 0.000 0.983 160 S CB -0.041 63.167 63.200 0.013 0.000 0.803 160 S HN 0.713 nan 8.310 nan 0.000 0.480 161 S N 1.254 116.965 115.700 0.017 0.000 2.402 161 S HA -0.027 4.443 4.470 0.000 0.000 0.229 161 S C 1.847 176.462 174.600 0.024 0.000 1.021 161 S CA 0.915 59.126 58.200 0.017 0.000 0.974 161 S CB -0.653 62.557 63.200 0.017 0.000 0.800 161 S HN 0.283 nan 8.310 nan 0.000 0.484 162 V N 1.741 121.674 119.914 0.031 0.000 2.343 162 V HA -0.129 3.991 4.120 0.000 0.000 0.247 162 V C 2.633 178.756 176.094 0.048 0.000 1.051 162 V CA 2.208 64.536 62.300 0.047 0.000 1.036 162 V CB -0.779 31.075 31.823 0.051 0.000 0.654 162 V HN 0.534 nan 8.190 nan 0.000 0.451 163 M N 0.165 119.784 119.600 0.032 0.000 2.175 163 M HA -0.121 4.359 4.480 0.000 0.000 0.264 163 M C 2.190 178.487 176.300 -0.005 0.000 1.063 163 M CA 1.788 57.098 55.300 0.017 0.000 1.119 163 M CB -0.710 31.897 32.600 0.011 0.000 1.377 163 M HN 0.185 nan 8.290 nan 0.000 0.415 164 R N -0.018 120.481 120.500 -0.002 0.000 2.073 164 R HA -0.182 4.158 4.340 0.000 0.000 0.234 164 R C 2.080 178.373 176.300 -0.012 0.000 1.134 164 R CA 1.979 58.073 56.100 -0.011 0.000 0.952 164 R CB -0.227 30.071 30.300 -0.003 0.000 0.850 164 R HN 0.386 nan 8.270 nan 0.000 0.433 165 K N -0.022 120.383 120.400 0.008 0.000 2.063 165 K HA -0.115 4.206 4.320 0.000 0.000 0.208 165 K C 2.123 178.723 176.600 0.000 0.000 1.048 165 K CA 1.539 57.840 56.287 0.023 0.000 0.928 165 K CB -0.186 32.348 32.500 0.056 0.000 0.713 165 K HN 0.257 nan 8.250 nan 0.000 0.442 166 A N 1.253 124.062 122.820 -0.018 0.000 1.902 166 A HA -0.140 4.180 4.320 0.000 0.000 0.217 166 A C 2.124 179.518 177.584 -0.317 0.000 1.181 166 A CA 1.256 53.162 52.037 -0.219 0.000 0.623 166 A CB -0.624 18.312 19.000 -0.107 0.000 0.818 166 A HN 0.176 nan 8.150 nan 0.000 0.443 167 L N -0.854 120.276 121.223 -0.154 0.000 2.083 167 L HA -0.215 4.125 4.340 0.000 0.000 0.209 167 L C 2.627 179.438 176.870 -0.098 0.000 1.083 167 L CA 1.649 56.418 54.840 -0.118 0.000 0.752 167 L CB -0.410 41.609 42.059 -0.067 0.000 0.899 167 L HN 0.489 nan 8.230 nan 0.000 0.433 168 E N -0.164 119.991 120.200 -0.074 0.000 2.051 168 E HA -0.216 4.134 4.350 0.000 0.000 0.192 168 E C 2.298 178.868 176.600 -0.050 0.000 0.991 168 E CA 1.165 57.539 56.400 -0.043 0.000 0.799 168 E CB -0.075 29.614 29.700 -0.019 0.000 0.748 168 E HN 0.424 nan 8.360 nan 0.000 0.449 169 L N 0.261 121.434 121.223 -0.085 0.000 2.109 169 L HA -0.108 4.232 4.340 0.000 0.000 0.207 169 L C 2.549 179.352 176.870 -0.112 0.000 1.086 169 L CA 0.835 55.642 54.840 -0.055 0.000 0.760 169 L CB -0.424 41.664 42.059 0.049 0.000 0.910 169 L HN 0.151 nan 8.230 nan 0.000 0.437 170 A N 0.425 123.081 122.820 -0.273 0.000 1.898 170 A HA -0.202 4.118 4.320 0.000 0.000 0.216 170 A C 2.545 180.113 177.584 -0.026 0.000 1.181 170 A CA 1.931 53.876 52.037 -0.152 0.000 0.620 170 A CB -0.678 18.212 19.000 -0.183 0.000 0.819 170 A HN 0.509 nan 8.150 nan 0.000 0.442 171 S N -0.366 115.314 115.700 -0.033 0.000 2.382 171 S HA -0.281 4.189 4.470 0.000 0.000 0.228 171 S C 2.052 176.666 174.600 0.023 0.000 1.027 171 S CA 1.424 59.628 58.200 0.007 0.000 0.991 171 S CB -0.576 62.628 63.200 0.007 0.000 0.823 171 S HN 0.697 nan 8.310 nan 0.000 0.469 172 Q N 0.923 120.735 119.800 0.021 0.000 2.181 172 Q HA -0.004 4.336 4.340 0.000 0.000 0.205 172 Q C 1.837 177.877 176.000 0.066 0.000 0.980 172 Q CA 1.372 57.199 55.803 0.040 0.000 0.862 172 Q CB -0.318 28.445 28.738 0.041 0.000 0.905 172 Q HN 0.666 nan 8.270 nan 0.000 0.429 173 L N -0.890 120.382 121.223 0.082 0.000 2.591 173 L HA 0.216 4.556 4.340 0.000 0.000 0.228 173 L C 1.158 178.078 176.870 0.083 0.000 1.133 173 L CA 0.370 55.278 54.840 0.113 0.000 0.880 173 L CB 0.128 42.289 42.059 0.171 0.000 1.033 173 L HN 0.503 nan 8.230 nan 0.000 0.450 174 G N 1.034 109.871 108.800 0.061 0.000 2.147 174 G HA2 -0.230 3.730 3.960 0.000 0.000 0.244 174 G HA3 -0.230 3.730 3.960 0.000 0.000 0.244 174 G C 0.105 175.032 174.900 0.043 0.000 1.005 174 G CA 0.256 45.385 45.100 0.049 0.000 0.713 174 G HN 0.284 nan 8.290 nan 0.000 0.515 175 V N -3.017 116.923 119.914 0.042 0.000 2.864 175 V HA 0.980 5.100 4.120 0.000 0.000 0.314 175 V C -2.197 173.877 176.094 -0.032 0.000 1.073 175 V CA -2.428 59.873 62.300 0.001 0.000 0.956 175 V CB 2.410 34.225 31.823 -0.014 0.000 1.023 175 V HN 0.120 nan 8.190 nan 0.000 0.435 176 P HA 0.478 nan 4.420 nan 0.000 0.278 176 P C -0.985 176.210 177.300 -0.175 0.000 1.258 176 P CA -0.465 62.480 63.100 -0.258 0.000 0.811 176 P CB 1.006 32.341 31.700 -0.608 0.000 1.063 177 I N 1.969 122.446 120.570 -0.155 0.000 2.353 177 I HA 0.310 4.480 4.170 0.000 0.000 0.293 177 I C 0.764 176.825 176.117 -0.093 0.000 0.992 177 I CA -0.595 60.655 61.300 -0.083 0.000 1.268 177 I CB 0.273 38.236 38.000 -0.061 0.000 1.387 177 I HN 0.282 nan 8.210 nan 0.000 0.478 178 M N 5.205 124.769 119.600 -0.061 0.000 2.129 178 M HA 0.280 4.760 4.480 0.000 0.000 0.348 178 M C -0.694 175.591 176.300 -0.025 0.000 1.116 178 M CA -0.422 54.856 55.300 -0.036 0.000 1.022 178 M CB 1.276 33.830 32.600 -0.076 0.000 1.599 178 M HN 0.338 nan 8.290 nan 0.000 0.449 179 D N 1.301 121.679 120.400 -0.037 0.000 2.375 179 D HA 0.180 4.820 4.640 0.000 0.000 0.247 179 D C -1.089 175.211 176.300 0.001 0.000 1.061 179 D CA -0.339 53.661 54.000 0.000 0.000 0.834 179 D CB 0.963 41.756 40.800 -0.012 0.000 1.247 179 D HN 0.546 nan 8.370 nan 0.000 0.489 180 H N 3.288 122.367 119.070 0.016 0.000 2.911 180 H HA 0.319 4.875 4.556 0.000 0.000 0.273 180 H C -0.782 174.622 175.328 0.127 0.000 1.157 180 H CA -0.469 55.658 56.048 0.132 0.000 1.402 180 H CB -0.150 29.738 29.762 0.210 0.000 1.463 180 H HN 0.222 nan 8.280 nan 0.000 0.475 181 C N 5.633 124.850 119.300 -0.138 0.000 2.256 181 C HA 0.321 4.781 4.460 0.000 0.000 0.333 181 C C 0.083 174.976 174.990 -0.162 0.000 1.183 181 C CA -0.381 58.584 59.018 -0.088 0.000 1.692 181 C CB -1.283 26.422 27.740 -0.058 0.000 2.274 181 C HN 0.872 nan 8.230 nan 0.000 0.509 182 E N 1.824 121.997 120.200 -0.045 0.000 2.639 182 E HA 0.007 4.357 4.350 0.000 0.000 0.378 182 E C -1.284 175.374 176.600 0.097 0.000 1.002 182 E CA -0.174 56.230 56.400 0.007 0.000 0.747 182 E CB 0.600 30.301 29.700 0.000 0.000 1.571 182 E HN 0.730 nan 8.360 nan 0.000 0.382 183 D N 2.839 123.279 120.400 0.067 0.000 2.570 183 D HA -0.103 4.537 4.640 0.000 0.000 0.243 183 D C 0.784 177.147 176.300 0.105 0.000 1.171 183 D CA 0.638 54.684 54.000 0.078 0.000 0.879 183 D CB 0.833 41.667 40.800 0.056 0.000 1.143 183 D HN 0.455 nan 8.370 nan 0.000 0.511 184 D N 3.530 124.000 120.400 0.116 0.000 2.348 184 D HA -0.143 4.497 4.640 0.000 0.000 0.216 184 D C 0.969 177.382 176.300 0.189 0.000 0.970 184 D CA 0.685 54.772 54.000 0.145 0.000 0.889 184 D CB 0.182 41.050 40.800 0.114 0.000 0.912 184 D HN 0.215 nan 8.370 nan 0.000 0.524 185 K N -0.017 120.473 120.400 0.152 0.000 2.243 185 K HA 0.166 4.486 4.320 0.000 0.000 0.201 185 K C 1.825 178.586 176.600 0.267 0.000 1.051 185 K CA 0.298 56.690 56.287 0.174 0.000 0.970 185 K CB 0.280 32.835 32.500 0.092 0.000 0.755 185 K HN 0.321 nan 8.250 nan 0.000 0.465 186 L N -0.320 121.005 121.223 0.170 0.000 2.664 186 L HA 0.245 4.585 4.340 0.000 0.000 0.233 186 L C 0.464 177.337 176.870 0.005 0.000 1.113 186 L CA -0.130 54.758 54.840 0.080 0.000 0.896 186 L CB 0.555 42.640 42.059 0.043 0.000 1.163 186 L HN -0.144 nan 8.230 nan 0.000 0.497 187 A N -0.501 122.356 122.820 0.061 0.000 3.082 187 A HA 0.419 4.739 4.320 0.000 0.000 0.328 187 A C -0.303 177.329 177.584 0.081 0.000 1.089 187 A CA -0.379 51.661 52.037 0.004 0.000 0.802 187 A CB -0.310 18.715 19.000 0.042 0.000 1.138 187 A HN 0.380 nan 8.150 nan 0.000 0.474 188 Y N -1.050 119.258 120.300 0.013 0.000 2.527 188 Y HA 0.570 5.120 4.550 0.000 0.000 0.247 188 Y C 0.805 176.700 175.900 -0.008 0.000 1.138 188 Y CA -0.466 57.639 58.100 0.008 0.000 1.228 188 Y CB -0.352 38.114 38.460 0.009 0.000 1.252 188 Y HN 0.418 nan 8.280 nan 0.000 0.531 189 G N 1.066 109.689 108.800 -0.295 0.000 2.504 189 G HA2 0.338 4.298 3.960 0.000 0.000 0.257 189 G HA3 0.338 4.298 3.960 0.000 0.000 0.257 189 G C 0.643 175.479 174.900 -0.107 0.000 1.451 189 G CA 0.377 45.359 45.100 -0.197 0.000 1.059 189 G HN 0.458 nan 8.290 nan 0.000 0.550 190 V N -2.313 117.535 119.914 -0.110 0.000 3.307 190 V HA 0.435 4.555 4.120 0.000 0.000 0.244 190 V C 1.055 177.099 176.094 -0.083 0.000 1.196 190 V CA 0.901 63.145 62.300 -0.094 0.000 1.132 190 V CB -0.895 30.856 31.823 -0.119 0.000 0.875 190 V HN 0.688 nan 8.190 nan 0.000 0.468 191 I N -2.134 118.385 120.570 -0.084 0.000 3.457 191 I HA 0.634 4.804 4.170 0.000 0.000 0.307 191 I C -0.253 175.829 176.117 -0.058 0.000 1.138 191 I CA -1.136 60.124 61.300 -0.066 0.000 0.974 191 I CB 1.233 39.192 38.000 -0.068 0.000 1.324 191 I HN 0.023 nan 8.210 nan 0.000 0.485 192 N N 1.635 120.312 118.700 -0.039 0.000 2.441 192 N HA -0.033 4.707 4.740 0.000 0.000 0.251 192 N C -0.420 175.064 175.510 -0.044 0.000 1.242 192 N CA 0.284 53.316 53.050 -0.030 0.000 0.898 192 N CB 0.536 39.018 38.487 -0.009 0.000 1.100 192 N HN 0.731 nan 8.380 nan 0.000 0.443 193 E N 1.551 121.723 120.200 -0.046 0.000 1.858 193 E HA 0.328 4.678 4.350 0.000 0.000 0.267 193 E C -0.154 176.427 176.600 -0.032 0.000 1.215 193 E CA -0.288 56.083 56.400 -0.048 0.000 0.952 193 E CB -0.548 29.120 29.700 -0.054 0.000 1.058 193 E HN 0.701 nan 8.360 nan 0.000 0.407 194 G N 3.094 111.876 108.800 -0.029 0.000 2.827 194 G HA2 0.003 3.963 3.960 0.000 0.000 0.202 194 G HA3 0.003 3.963 3.960 0.000 0.000 0.202 194 G C 0.085 174.973 174.900 -0.021 0.000 1.185 194 G CA -0.392 44.696 45.100 -0.020 0.000 0.920 194 G HN 0.426 nan 8.290 nan 0.000 0.550 195 E N -0.545 119.646 120.200 -0.016 0.000 2.216 195 E HA 0.023 4.373 4.350 0.000 0.000 0.192 195 E C 2.451 179.040 176.600 -0.019 0.000 0.988 195 E CA 0.728 57.119 56.400 -0.015 0.000 0.834 195 E CB 0.256 29.951 29.700 -0.010 0.000 0.772 195 E HN 0.144 nan 8.360 nan 0.000 0.479 196 V N 1.431 121.331 119.914 -0.022 0.000 2.407 196 V HA -0.218 3.902 4.120 0.000 0.000 0.245 196 V C 2.578 178.650 176.094 -0.036 0.000 1.041 196 V CA 1.845 64.129 62.300 -0.028 0.000 1.040 196 V CB -0.395 31.410 31.823 -0.030 0.000 0.671 196 V HN 0.334 nan 8.190 nan 0.000 0.455 197 S N 1.584 117.259 115.700 -0.040 0.000 2.370 197 S HA -0.196 4.274 4.470 0.000 0.000 0.226 197 S C 2.113 176.688 174.600 -0.041 0.000 1.033 197 S CA 1.534 59.705 58.200 -0.048 0.000 1.011 197 S CB -0.630 62.535 63.200 -0.057 0.000 0.852 197 S HN 0.558 nan 8.310 nan 0.000 0.457 198 A N 1.671 124.471 122.820 -0.033 0.000 1.902 198 A HA 0.107 4.427 4.320 0.000 0.000 0.217 198 A C 2.275 179.845 177.584 -0.024 0.000 1.181 198 A CA 1.555 53.576 52.037 -0.027 0.000 0.623 198 A CB -0.894 18.093 19.000 -0.022 0.000 0.818 198 A HN 0.531 nan 8.150 nan 0.000 0.443 199 L N -0.654 120.555 121.223 -0.024 0.000 2.027 199 L HA -0.010 4.330 4.340 0.000 0.000 0.206 199 L C 2.140 178.996 176.870 -0.023 0.000 1.074 199 L CA 1.731 56.558 54.840 -0.021 0.000 0.745 199 L CB -0.207 41.841 42.059 -0.019 0.000 0.898 199 L HN 0.380 nan 8.230 nan 0.000 0.433 200 L N -1.503 119.703 121.223 -0.030 0.000 2.463 200 L HA 0.292 4.632 4.340 0.000 0.000 0.219 200 L C 1.496 178.344 176.870 -0.037 0.000 1.088 200 L CA 0.601 55.422 54.840 -0.033 0.000 0.849 200 L CB -0.323 41.712 42.059 -0.040 0.000 1.012 200 L HN 0.507 nan 8.230 nan 0.000 0.468 201 G N 0.912 109.688 108.800 -0.040 0.000 2.132 201 G HA2 -0.256 3.704 3.960 0.000 0.000 0.234 201 G HA3 -0.256 3.704 3.960 0.000 0.000 0.234 201 G C 0.157 175.023 174.900 -0.057 0.000 0.989 201 G CA -0.252 44.823 45.100 -0.042 0.000 0.676 201 G HN 0.176 nan 8.290 nan 0.000 0.522 202 L N 1.827 123.010 121.223 -0.068 0.000 2.426 202 L HA 0.454 4.794 4.340 0.000 0.000 0.271 202 L C 1.624 178.440 176.870 -0.092 0.000 1.169 202 L CA 0.092 54.879 54.840 -0.089 0.000 0.836 202 L CB 1.022 43.025 42.059 -0.093 0.000 1.112 202 L HN 0.485 nan 8.230 nan 0.000 0.465 203 S N 1.505 117.142 115.700 -0.106 0.000 2.573 203 S HA 0.329 4.799 4.470 0.000 0.000 0.277 203 S C -0.000 174.512 174.600 -0.145 0.000 1.346 203 S CA -0.691 57.434 58.200 -0.125 0.000 1.034 203 S CB 1.114 64.242 63.200 -0.120 0.000 0.879 203 S HN 0.662 nan 8.310 nan 0.000 0.528 204 S N 1.367 116.955 115.700 -0.187 0.000 2.671 204 S HA 0.707 5.177 4.470 0.000 0.000 0.299 204 S C -0.934 173.547 174.600 -0.198 0.000 1.116 204 S CA -1.277 56.828 58.200 -0.157 0.000 0.912 204 S CB 1.212 64.341 63.200 -0.118 0.000 1.130 204 S HN 0.824 nan 8.310 nan 0.000 0.501 205 R N 0.558 120.979 120.500 -0.131 0.000 2.451 205 R HA 0.636 4.976 4.340 0.000 0.000 0.307 205 R C -0.564 175.692 176.300 -0.075 0.000 0.965 205 R CA -0.591 55.443 56.100 -0.110 0.000 0.865 205 R CB 1.855 32.116 30.300 -0.064 0.000 1.174 205 R HN 0.858 nan 8.270 nan 0.000 0.455 206 A N 4.612 127.389 122.820 -0.071 0.000 2.440 206 A HA 0.279 4.599 4.320 0.000 0.000 0.251 206 A C -1.422 176.143 177.584 -0.032 0.000 1.089 206 A CA -1.232 50.777 52.037 -0.048 0.000 0.779 206 A CB 0.168 19.145 19.000 -0.039 0.000 1.022 206 A HN 0.496 nan 8.150 nan 0.000 0.492 207 P HA -0.187 nan 4.420 nan 0.000 0.218 207 P C 0.654 177.942 177.300 -0.020 0.000 1.148 207 P CA 1.546 64.632 63.100 -0.023 0.000 0.822 207 P CB 0.075 31.764 31.700 -0.018 0.000 0.784 208 E N 0.632 120.822 120.200 -0.016 0.000 2.204 208 E HA -0.102 4.248 4.350 0.000 0.000 0.195 208 E C 2.224 178.822 176.600 -0.004 0.000 0.990 208 E CA 1.117 57.511 56.400 -0.010 0.000 0.821 208 E CB -0.961 28.735 29.700 -0.007 0.000 0.750 208 E HN 0.166 nan 8.360 nan 0.000 0.477 209 A N 1.725 124.543 122.820 -0.004 0.000 1.917 209 A HA -0.333 3.987 4.320 0.000 0.000 0.219 209 A C 2.224 179.806 177.584 -0.004 0.000 1.182 209 A CA 1.947 53.988 52.037 0.007 0.000 0.633 209 A CB -0.551 18.457 19.000 0.013 0.000 0.819 209 A HN 0.367 nan 8.150 nan 0.000 0.448 210 E N -0.368 119.818 120.200 -0.023 0.000 2.046 210 E HA -0.202 4.148 4.350 0.000 0.000 0.190 210 E C 1.930 178.518 176.600 -0.021 0.000 0.982 210 E CA 1.261 57.638 56.400 -0.039 0.000 0.800 210 E CB -0.122 29.546 29.700 -0.054 0.000 0.756 210 E HN 0.745 nan 8.360 nan 0.000 0.449 211 E N 0.611 120.803 120.200 -0.013 0.000 2.047 211 E HA -0.166 4.184 4.350 0.000 0.000 0.191 211 E C 2.219 178.825 176.600 0.010 0.000 0.987 211 E CA 1.231 57.630 56.400 -0.001 0.000 0.799 211 E CB -0.119 29.577 29.700 -0.006 0.000 0.752 211 E HN 0.324 nan 8.360 nan 0.000 0.449 212 I N 1.281 121.855 120.570 0.007 0.000 2.194 212 I HA -0.361 3.809 4.170 0.000 0.000 0.246 212 I C 2.482 178.608 176.117 0.015 0.000 1.093 212 I CA 1.437 62.745 61.300 0.014 0.000 1.355 212 I CB -0.209 37.800 38.000 0.014 0.000 1.046 212 I HN 0.182 nan 8.210 nan 0.000 0.413 213 Q N 0.027 119.832 119.800 0.008 0.000 2.187 213 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 213 Q C 2.373 178.367 176.000 -0.011 0.000 0.957 213 Q CA 1.076 56.880 55.803 0.003 0.000 0.857 213 Q CB 0.153 28.896 28.738 0.008 0.000 0.929 213 Q HN 0.576 nan 8.270 nan 0.000 0.453 214 I N 0.656 121.222 120.570 -0.006 0.000 2.179 214 I HA -0.262 3.908 4.170 0.000 0.000 0.242 214 I C 2.444 178.568 176.117 0.012 0.000 1.088 214 I CA 0.997 62.295 61.300 -0.004 0.000 1.357 214 I CB -0.426 37.583 38.000 0.015 0.000 1.051 214 I HN 0.120 nan 8.210 nan 0.000 0.409 215 A N 0.910 123.768 122.820 0.064 0.000 1.877 215 A HA -0.261 4.059 4.320 0.000 0.000 0.216 215 A C 2.463 180.047 177.584 0.000 0.000 1.186 215 A CA 1.861 53.984 52.037 0.143 0.000 0.620 215 A CB -0.727 18.357 19.000 0.139 0.000 0.822 215 A HN 0.358 nan 8.150 nan 0.000 0.443 216 R N -0.354 120.138 120.500 -0.014 0.000 2.096 216 R HA -0.213 4.127 4.340 0.000 0.000 0.240 216 R C 1.450 177.683 176.300 -0.112 0.000 1.139 216 R CA 2.163 58.238 56.100 -0.042 0.000 0.952 216 R CB -0.485 29.806 30.300 -0.016 0.000 0.854 216 R HN 0.443 nan 8.270 nan 0.000 0.436 217 D N -0.765 119.564 120.400 -0.118 0.000 2.144 217 D HA -0.083 4.557 4.640 0.000 0.000 0.199 217 D C 1.706 177.846 176.300 -0.266 0.000 0.984 217 D CA 1.508 55.423 54.000 -0.143 0.000 0.834 217 D CB -0.492 40.248 40.800 -0.099 0.000 0.955 217 D HN 0.530 nan 8.370 nan 0.000 0.465 218 G N 0.520 109.031 108.800 -0.481 0.000 2.394 218 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 218 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 218 G C 1.768 176.007 174.900 -1.101 0.000 1.165 218 G CA 0.194 44.712 45.100 -0.971 0.000 0.784 218 G HN 0.254 nan 8.290 nan 0.000 0.535 219 I N 0.428 120.484 120.570 -0.857 0.000 2.208 219 I HA -0.161 4.009 4.170 0.000 0.000 0.245 219 I C 2.657 178.675 176.117 -0.166 0.000 1.097 219 I CA 0.818 61.932 61.300 -0.311 0.000 1.363 219 I CB -0.162 37.802 38.000 -0.060 0.000 1.051 219 I HN 0.122 nan 8.210 nan 0.000 0.413 220 L N 0.181 121.309 121.223 -0.159 0.000 2.109 220 L HA -0.132 4.208 4.340 0.000 0.000 0.207 220 L C 2.801 179.620 176.870 -0.085 0.000 1.086 220 L CA 1.080 55.866 54.840 -0.090 0.000 0.760 220 L CB -0.649 41.367 42.059 -0.071 0.000 0.910 220 L HN 0.230 nan 8.230 nan 0.000 0.437 221 A N -0.434 122.313 122.820 -0.121 0.000 1.930 221 A HA -0.258 4.062 4.320 0.000 0.000 0.217 221 A C 2.252 179.803 177.584 -0.054 0.000 1.175 221 A CA 1.613 53.605 52.037 -0.075 0.000 0.627 221 A CB -0.480 18.477 19.000 -0.071 0.000 0.815 221 A HN 0.458 nan 8.150 nan 0.000 0.443 222 Q N -0.993 118.762 119.800 -0.076 0.000 2.084 222 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 222 Q C 2.127 178.129 176.000 0.003 0.000 0.978 222 Q CA 1.417 57.216 55.803 -0.008 0.000 0.844 222 Q CB -0.019 28.749 28.738 0.050 0.000 0.898 222 Q HN 0.401 nan 8.270 nan 0.000 0.426 223 R N -0.366 120.130 120.500 -0.007 0.000 2.093 223 R HA -0.023 4.317 4.340 0.000 0.000 0.224 223 R C 2.347 178.646 176.300 -0.003 0.000 1.101 223 R CA 1.700 57.801 56.100 0.003 0.000 0.979 223 R CB -0.907 29.395 30.300 0.003 0.000 0.877 223 R HN 0.522 nan 8.270 nan 0.000 0.441 224 T N -3.583 110.964 114.554 -0.012 0.000 3.067 224 T HA 0.155 4.505 4.350 0.000 0.000 0.257 224 T C 1.416 176.114 174.700 -0.004 0.000 1.105 224 T CA 0.739 62.834 62.100 -0.010 0.000 1.104 224 T CB 0.211 69.068 68.868 -0.018 0.000 0.925 224 T HN 0.350 nan 8.240 nan 0.000 0.498 225 G N 1.110 109.908 108.800 -0.003 0.000 2.155 225 G HA2 -0.097 3.863 3.960 0.000 0.000 0.257 225 G HA3 -0.097 3.863 3.960 0.000 0.000 0.257 225 G C 0.466 175.374 174.900 0.013 0.000 0.983 225 G CA 0.004 45.106 45.100 0.003 0.000 0.676 225 G HN 1.029 nan 8.290 nan 0.000 0.528 226 G N -1.334 107.471 108.800 0.010 0.000 2.634 226 G HA2 0.484 4.444 3.960 0.000 0.000 0.255 226 G HA3 0.484 4.444 3.960 0.000 0.000 0.255 226 G C -0.255 174.695 174.900 0.084 0.000 1.205 226 G CA 0.069 45.185 45.100 0.027 0.000 0.884 226 G HN 0.753 nan 8.290 nan 0.000 0.549 227 H N -0.361 118.694 119.070 -0.025 0.000 2.556 227 H HA 0.471 5.027 4.556 0.000 0.000 0.310 227 H C -0.978 174.343 175.328 -0.012 0.000 1.057 227 H CA -0.753 55.286 56.048 -0.015 0.000 1.264 227 H CB 1.521 31.279 29.762 -0.007 0.000 1.404 227 H HN 0.303 nan 8.280 nan 0.000 0.462 228 V N 5.745 125.738 119.914 0.132 0.000 2.483 228 V HA 0.175 4.295 4.120 0.000 0.000 0.295 228 V C -1.053 175.066 176.094 0.041 0.000 1.035 228 V CA -0.523 61.772 62.300 -0.009 0.000 0.896 228 V CB 1.432 33.237 31.823 -0.030 0.000 0.986 228 V HN 0.897 nan 8.190 nan 0.000 0.447 229 H N 6.739 125.720 119.070 -0.149 0.000 2.638 229 H HA 0.510 5.066 4.556 0.000 0.000 0.317 229 H C -0.575 174.704 175.328 -0.082 0.000 1.006 229 H CA -0.883 55.108 56.048 -0.096 0.000 1.222 229 H CB 0.949 30.609 29.762 -0.170 0.000 1.419 229 H HN 0.516 nan 8.280 nan 0.000 0.489 230 I N 5.655 125.899 120.570 -0.544 0.000 2.436 230 I HA -0.014 4.156 4.170 0.000 0.000 0.289 230 I C 1.320 177.147 176.117 -0.482 0.000 1.083 230 I CA 0.412 61.485 61.300 -0.379 0.000 1.372 230 I CB 1.003 38.872 38.000 -0.219 0.000 1.408 230 I HN 0.851 nan 8.210 nan 0.000 0.516 231 Q N 4.663 124.259 119.800 -0.341 0.000 2.172 231 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 231 Q C -0.593 175.214 176.000 -0.323 0.000 0.964 231 Q CA 1.296 56.887 55.803 -0.353 0.000 0.855 231 Q CB 0.104 28.532 28.738 -0.516 0.000 0.918 231 Q HN 0.785 nan 8.270 nan 0.000 0.444 232 H N -2.907 116.161 119.070 -0.004 0.000 3.243 232 H HA 0.331 4.887 4.556 0.000 0.000 0.330 232 H C -1.257 173.983 175.328 -0.146 0.000 1.269 232 H CA -0.789 55.246 56.048 -0.023 0.000 1.632 232 H CB -0.785 28.999 29.762 0.037 0.000 1.982 232 H HN -0.226 nan 8.280 nan 0.000 0.536 233 V N 2.278 122.186 119.914 -0.010 0.000 2.649 233 V HA 0.391 4.511 4.120 0.000 0.000 0.292 233 V C 0.891 176.887 176.094 -0.162 0.000 1.055 233 V CA 0.649 62.910 62.300 -0.066 0.000 1.023 233 V CB 1.505 33.302 31.823 -0.043 0.000 0.992 233 V HN 1.040 nan 8.190 nan 0.000 0.480 234 S N 0.629 116.230 115.700 -0.164 0.000 2.820 234 S HA 0.181 4.651 4.470 0.000 0.000 0.265 234 S C 0.369 174.936 174.600 -0.055 0.000 1.043 234 S CA 0.256 58.339 58.200 -0.194 0.000 1.245 234 S CB 0.509 63.509 63.200 -0.333 0.000 1.187 234 S HN 0.911 nan 8.310 nan 0.000 0.673 235 T N -0.972 113.559 114.554 -0.039 0.000 2.901 235 T HA 0.545 4.895 4.350 0.000 0.000 0.293 235 T C 0.431 175.126 174.700 -0.008 0.000 1.084 235 T CA -0.716 61.376 62.100 -0.013 0.000 1.008 235 T CB 2.297 71.156 68.868 -0.015 0.000 1.170 235 T HN 0.004 nan 8.240 nan 0.000 0.509 236 K N -0.260 120.139 120.400 -0.002 0.000 2.025 236 K HA -0.045 4.275 4.320 0.000 0.000 0.207 236 K C 2.003 178.600 176.600 -0.005 0.000 1.049 236 K CA 1.058 57.345 56.287 -0.001 0.000 0.933 236 K CB -0.356 32.144 32.500 0.000 0.000 0.714 236 K HN 0.465 nan 8.250 nan 0.000 0.438 237 L N 1.386 122.603 121.223 -0.009 0.000 2.042 237 L HA -0.166 4.174 4.340 0.000 0.000 0.210 237 L C 2.002 178.868 176.870 -0.007 0.000 1.076 237 L CA 1.790 56.621 54.840 -0.015 0.000 0.749 237 L CB -0.740 41.307 42.059 -0.020 0.000 0.893 237 L HN 0.124 nan 8.230 nan 0.000 0.432 238 S N -0.514 115.184 115.700 -0.004 0.000 2.374 238 S HA -0.196 4.274 4.470 0.000 0.000 0.227 238 S C 1.940 176.551 174.600 0.019 0.000 1.037 238 S CA 1.789 59.992 58.200 0.004 0.000 1.024 238 S CB -0.448 62.745 63.200 -0.012 0.000 0.861 238 S HN 0.476 nan 8.310 nan 0.000 0.456 239 L N 0.980 122.209 121.223 0.011 0.000 2.109 239 L HA -0.091 4.249 4.340 0.000 0.000 0.207 239 L C 2.511 179.398 176.870 0.029 0.000 1.086 239 L CA 1.151 56.001 54.840 0.017 0.000 0.760 239 L CB -0.553 41.510 42.059 0.008 0.000 0.910 239 L HN 0.343 nan 8.230 nan 0.000 0.437 240 E N 0.385 120.596 120.200 0.018 0.000 2.110 240 E HA -0.223 4.127 4.350 0.000 0.000 0.193 240 E C 2.218 178.839 176.600 0.035 0.000 0.988 240 E CA 1.251 57.661 56.400 0.018 0.000 0.804 240 E CB -0.091 29.604 29.700 -0.009 0.000 0.745 240 E HN 0.488 nan 8.360 nan 0.000 0.458 241 I N 0.686 121.277 120.570 0.035 0.000 2.252 241 I HA -0.236 3.934 4.170 0.000 0.000 0.245 241 I C 2.276 178.535 176.117 0.237 0.000 1.102 241 I CA 0.896 62.245 61.300 0.082 0.000 1.385 241 I CB -0.150 37.912 38.000 0.103 0.000 1.064 241 I HN 0.081 nan 8.210 nan 0.000 0.414 242 I N 0.627 121.310 120.570 0.188 0.000 2.226 242 I HA -0.281 3.889 4.170 0.000 0.000 0.245 242 I C 2.606 178.834 176.117 0.184 0.000 1.100 242 I CA 1.367 62.791 61.300 0.207 0.000 1.374 242 I CB -0.212 37.846 38.000 0.097 0.000 1.057 242 I HN 0.210 nan 8.210 nan 0.000 0.413 243 E N 0.993 121.262 120.200 0.116 0.000 2.072 243 E HA -0.259 4.091 4.350 0.000 0.000 0.191 243 E C 2.024 178.661 176.600 0.061 0.000 0.985 243 E CA 1.221 57.665 56.400 0.073 0.000 0.801 243 E CB -0.426 29.302 29.700 0.045 0.000 0.750 243 E HN 0.367 nan 8.360 nan 0.000 0.452 244 F N -0.131 119.749 119.950 -0.117 0.000 2.085 244 F HA -0.268 4.259 4.527 0.000 0.000 0.299 244 F C 1.589 177.192 175.800 -0.329 0.000 1.096 244 F CA 1.847 59.682 58.000 -0.274 0.000 1.227 244 F CB -0.352 38.384 39.000 -0.440 0.000 0.983 244 F HN 0.092 nan 8.300 nan 0.000 0.482 245 F N 0.258 120.252 119.950 0.073 0.000 2.219 245 F HA 0.008 4.535 4.527 0.000 0.000 0.294 245 F C 2.278 178.043 175.800 -0.059 0.000 1.086 245 F CA 1.040 59.026 58.000 -0.024 0.000 1.330 245 F CB -0.900 38.142 39.000 0.070 0.000 1.047 245 F HN -0.215 nan 8.300 nan 0.000 0.495 246 K N 0.532 121.011 120.400 0.133 0.000 2.020 246 K HA -0.250 4.070 4.320 0.000 0.000 0.212 246 K C 1.820 178.411 176.600 -0.014 0.000 1.050 246 K CA 2.035 58.351 56.287 0.048 0.000 0.929 246 K CB -0.474 32.046 32.500 0.034 0.000 0.714 246 K HN 0.292 nan 8.250 nan 0.000 0.443 247 E N 0.595 120.760 120.200 -0.059 0.000 2.331 247 E HA -0.166 4.184 4.350 0.000 0.000 0.199 247 E C 1.137 177.661 176.600 -0.127 0.000 1.008 247 E CA 1.036 57.377 56.400 -0.099 0.000 0.843 247 E CB 0.118 29.740 29.700 -0.131 0.000 0.761 247 E HN 0.198 nan 8.360 nan 0.000 0.507 248 K N -1.123 119.194 120.400 -0.137 0.000 2.374 248 K HA 0.117 4.437 4.320 0.000 0.000 0.196 248 K C 0.807 177.381 176.600 -0.044 0.000 1.023 248 K CA 0.415 56.633 56.287 -0.115 0.000 1.103 248 K CB 0.984 33.394 32.500 -0.150 0.000 0.848 248 K HN 0.183 nan 8.250 nan 0.000 0.528 249 G N 1.064 109.847 108.800 -0.028 0.000 2.143 249 G HA2 -0.235 3.725 3.960 0.000 0.000 0.249 249 G HA3 -0.235 3.725 3.960 0.000 0.000 0.249 249 G C 0.159 175.056 174.900 -0.004 0.000 0.981 249 G CA -0.022 45.067 45.100 -0.019 0.000 0.665 249 G HN 0.115 nan 8.290 nan 0.000 0.528 250 V N 0.618 120.549 119.914 0.028 0.000 2.655 250 V HA 0.201 4.321 4.120 0.000 0.000 0.300 250 V C 1.119 177.219 176.094 0.010 0.000 1.044 250 V CA 0.327 62.650 62.300 0.039 0.000 1.095 250 V CB 1.234 33.123 31.823 0.109 0.000 0.952 250 V HN 0.340 nan 8.190 nan 0.000 0.485 251 K N 5.418 125.810 120.400 -0.013 0.000 2.111 251 K HA 0.408 4.728 4.320 0.000 0.000 0.249 251 K C -0.443 176.185 176.600 0.047 0.000 1.157 251 K CA 0.217 56.465 56.287 -0.065 0.000 1.048 251 K CB 0.102 32.530 32.500 -0.119 0.000 1.498 251 K HN 0.578 nan 8.250 nan 0.000 0.344 252 I N 1.509 122.110 120.570 0.051 0.000 2.466 252 I HA 0.246 4.416 4.170 0.000 0.000 0.289 252 I C -0.394 175.783 176.117 0.100 0.000 1.026 252 I CA -0.218 61.144 61.300 0.104 0.000 1.078 252 I CB 1.570 39.604 38.000 0.057 0.000 1.249 252 I HN 0.422 nan 8.210 nan 0.000 0.429 253 T N 3.599 118.259 114.554 0.176 0.000 2.940 253 T HA 0.806 5.156 4.350 0.000 0.000 0.288 253 T C -0.331 174.353 174.700 -0.026 0.000 1.045 253 T CA -0.664 61.543 62.100 0.178 0.000 1.018 253 T CB 1.574 70.692 68.868 0.417 0.000 1.151 253 T HN 0.860 nan 8.240 nan 0.000 0.529 254 C N -0.158 119.111 119.300 -0.051 0.000 3.318 254 C HA 0.962 5.422 4.460 0.000 0.000 0.322 254 C C -1.158 173.817 174.990 -0.025 0.000 1.398 254 C CA -0.998 57.872 59.018 -0.247 0.000 1.339 254 C CB 1.049 28.701 27.740 -0.147 0.000 1.668 254 C HN 1.345 nan 8.230 nan 0.000 0.462 255 E N 0.371 120.554 120.200 -0.029 0.000 2.369 255 E HA 0.775 5.125 4.350 0.000 0.000 0.270 255 E C -1.979 174.665 176.600 0.073 0.000 0.909 255 E CA -0.816 55.644 56.400 0.099 0.000 0.775 255 E CB 2.340 32.198 29.700 0.264 0.000 1.270 255 E HN 0.765 nan 8.360 nan 0.000 0.445 256 V N 1.688 121.667 119.914 0.108 0.000 2.604 256 V HA 0.291 4.411 4.120 0.000 0.000 0.305 256 V C -0.992 175.253 176.094 0.252 0.000 1.043 256 V CA -0.896 61.500 62.300 0.159 0.000 0.888 256 V CB 1.877 33.783 31.823 0.138 0.000 0.995 256 V HN 0.794 nan 8.190 nan 0.000 0.429 257 N N 7.047 125.905 118.700 0.265 0.000 2.431 257 N HA 0.257 4.997 4.740 0.000 0.000 0.265 257 N C -1.815 173.846 175.510 0.253 0.000 1.184 257 N CA -1.561 51.658 53.050 0.281 0.000 0.943 257 N CB 1.696 40.408 38.487 0.375 0.000 1.080 257 N HN 0.353 nan 8.380 nan 0.000 0.477 258 P HA -0.113 nan 4.420 nan 0.000 0.219 258 P C 0.312 177.653 177.300 0.069 0.000 1.144 258 P CA 1.321 64.471 63.100 0.082 0.000 0.806 258 P CB 0.249 31.952 31.700 0.006 0.000 0.771 259 N N -1.912 116.864 118.700 0.126 0.000 2.216 259 N HA -0.139 4.601 4.740 0.000 0.000 0.183 259 N C 1.445 176.998 175.510 0.072 0.000 1.017 259 N CA 0.736 53.875 53.050 0.149 0.000 0.861 259 N CB -0.590 37.985 38.487 0.147 0.000 0.986 259 N HN 0.334 nan 8.380 nan 0.000 0.428 260 H N 0.001 119.143 119.070 0.121 0.000 2.521 260 H HA 0.068 4.624 4.556 0.000 0.000 0.286 260 H C 1.514 176.870 175.328 0.046 0.000 1.034 260 H CA 0.709 56.811 56.048 0.090 0.000 1.278 260 H CB 0.084 29.892 29.762 0.077 0.000 1.386 260 H HN 0.189 nan 8.280 nan 0.000 0.567 261 L N -0.453 120.835 121.223 0.109 0.000 2.341 261 L HA -0.020 4.320 4.340 0.000 0.000 0.214 261 L C 1.547 178.356 176.870 -0.101 0.000 1.115 261 L CA 0.597 55.453 54.840 0.026 0.000 0.820 261 L CB 0.004 42.087 42.059 0.040 0.000 0.944 261 L HN 0.303 nan 8.230 nan 0.000 0.452 262 L N -1.786 119.287 121.223 -0.249 0.000 2.316 262 L HA 0.151 4.491 4.340 0.000 0.000 0.207 262 L C -0.057 176.446 176.870 -0.611 0.000 1.070 262 L CA 0.322 54.790 54.840 -0.619 0.000 0.820 262 L CB 0.257 41.603 42.059 -1.188 0.000 0.992 262 L HN 0.004 nan 8.230 nan 0.000 0.466 263 F N -0.541 119.395 119.950 -0.024 0.000 2.563 263 F HA 0.429 4.956 4.527 0.000 0.000 0.316 263 F C 0.584 176.364 175.800 -0.033 0.000 1.076 263 F CA -1.239 56.737 58.000 -0.040 0.000 0.921 263 F CB 1.630 40.586 39.000 -0.073 0.000 1.209 263 F HN -0.226 nan 8.300 nan 0.000 0.462 264 T N -2.750 111.916 114.554 0.187 0.000 2.922 264 T HA 0.294 4.644 4.350 0.000 0.000 0.281 264 T C 1.011 175.749 174.700 0.063 0.000 1.005 264 T CA -0.338 61.822 62.100 0.100 0.000 0.982 264 T CB 1.276 70.185 68.868 0.069 0.000 1.158 264 T HN 0.785 nan 8.240 nan 0.000 0.566 265 E N 0.417 120.637 120.200 0.034 0.000 2.233 265 E HA -0.277 4.073 4.350 0.000 0.000 0.199 265 E C 1.863 178.458 176.600 -0.008 0.000 1.004 265 E CA 1.026 57.428 56.400 0.003 0.000 0.819 265 E CB -0.324 29.376 29.700 0.000 0.000 0.738 265 E HN 0.603 nan 8.360 nan 0.000 0.478 266 R N 0.491 120.996 120.500 0.008 0.000 2.193 266 R HA -0.129 4.211 4.340 0.000 0.000 0.229 266 R C 2.072 178.366 176.300 -0.010 0.000 1.110 266 R CA 1.333 57.435 56.100 0.002 0.000 0.988 266 R CB -0.222 30.088 30.300 0.016 0.000 0.871 266 R HN 0.186 nan 8.270 nan 0.000 0.458 267 E N 0.953 121.145 120.200 -0.013 0.000 2.160 267 E HA -0.142 4.208 4.350 0.000 0.000 0.195 267 E C 1.757 178.288 176.600 -0.115 0.000 0.991 267 E CA 0.938 57.288 56.400 -0.083 0.000 0.810 267 E CB -0.111 29.476 29.700 -0.188 0.000 0.742 267 E HN 0.055 nan 8.360 nan 0.000 0.466 268 V N 0.649 120.507 119.914 -0.092 0.000 2.380 268 V HA -0.297 3.823 4.120 0.000 0.000 0.251 268 V C 2.328 178.382 176.094 -0.067 0.000 1.063 268 V CA 1.855 64.103 62.300 -0.085 0.000 1.055 268 V CB -0.550 31.230 31.823 -0.072 0.000 0.657 268 V HN 0.343 nan 8.190 nan 0.000 0.455 269 L N -0.331 120.862 121.223 -0.050 0.000 2.217 269 L HA -0.100 4.240 4.340 0.000 0.000 0.211 269 L C 2.043 178.891 176.870 -0.037 0.000 1.107 269 L CA 1.496 56.314 54.840 -0.037 0.000 0.783 269 L CB -0.559 41.485 42.059 -0.024 0.000 0.919 269 L HN 0.418 nan 8.230 nan 0.000 0.442 270 N N -1.413 117.259 118.700 -0.047 0.000 2.439 270 N HA -0.027 4.713 4.740 0.000 0.000 0.176 270 N C 1.493 176.966 175.510 -0.061 0.000 1.029 270 N CA 0.567 53.591 53.050 -0.043 0.000 0.886 270 N CB 0.401 38.868 38.487 -0.034 0.000 1.057 270 N HN -0.043 nan 8.380 nan 0.000 0.437 271 S N -0.684 114.956 115.700 -0.100 0.000 2.559 271 S HA 0.359 4.829 4.470 0.000 0.000 0.226 271 S C 1.075 175.613 174.600 -0.104 0.000 1.000 271 S CA 0.134 58.265 58.200 -0.115 0.000 0.948 271 S CB 0.354 63.440 63.200 -0.191 0.000 0.870 271 S HN 0.552 nan 8.310 nan 0.000 0.497 272 G N 2.488 111.235 108.800 -0.089 0.000 2.651 272 G HA2 -0.375 3.585 3.960 0.000 0.000 0.315 272 G HA3 -0.375 3.585 3.960 0.000 0.000 0.315 272 G C 1.143 175.984 174.900 -0.098 0.000 1.258 272 G CA 0.383 45.435 45.100 -0.080 0.000 1.002 272 G HN 0.780 nan 8.290 nan 0.000 0.551 273 A N -0.515 122.251 122.820 -0.091 0.000 2.070 273 A HA 0.006 4.326 4.320 0.000 0.000 0.220 273 A C 2.082 179.594 177.584 -0.121 0.000 1.159 273 A CA 2.220 54.196 52.037 -0.102 0.000 0.656 273 A CB -0.458 18.488 19.000 -0.090 0.000 0.800 273 A HN 0.628 nan 8.150 nan 0.000 0.453 274 N N 0.238 118.861 118.700 -0.128 0.000 2.520 274 N HA -0.017 4.723 4.740 0.000 0.000 0.185 274 N C 1.320 176.723 175.510 -0.178 0.000 1.068 274 N CA 1.102 54.066 53.050 -0.144 0.000 0.911 274 N CB -0.254 38.148 38.487 -0.143 0.000 0.961 274 N HN 0.493 nan 8.380 nan 0.000 0.446 275 A N -0.079 122.630 122.820 -0.185 0.000 2.308 275 A HA 0.135 4.455 4.320 0.000 0.000 0.217 275 A C 0.994 178.488 177.584 -0.150 0.000 1.216 275 A CA -0.264 51.649 52.037 -0.207 0.000 0.864 275 A CB 0.005 18.873 19.000 -0.221 0.000 0.902 275 A HN 0.114 nan 8.150 nan 0.000 0.499 276 R N 0.342 120.765 120.500 -0.128 0.000 2.296 276 R HA 0.462 4.802 4.340 0.000 0.000 0.323 276 R C -0.971 175.273 176.300 -0.094 0.000 1.067 276 R CA 0.332 56.368 56.100 -0.108 0.000 0.946 276 R CB 0.436 30.669 30.300 -0.112 0.000 0.991 276 R HN 0.182 nan 8.270 nan 0.000 0.448 277 V N 4.253 124.125 119.914 -0.070 0.000 3.147 277 V HA 0.473 4.593 4.120 0.000 0.000 0.299 277 V C -1.910 174.178 176.094 -0.009 0.000 1.302 277 V CA -0.977 61.299 62.300 -0.041 0.000 1.015 277 V CB 2.819 34.609 31.823 -0.056 0.000 1.086 277 V HN 0.942 nan 8.190 nan 0.000 0.437 278 N N 5.351 124.052 118.700 0.002 0.000 2.443 278 N HA 0.600 5.340 4.740 0.000 0.000 0.269 278 N C -2.870 172.533 175.510 -0.178 0.000 0.985 278 N CA -1.291 51.768 53.050 0.014 0.000 0.921 278 N CB 2.250 40.813 38.487 0.126 0.000 1.195 278 N HN 0.560 nan 8.380 nan 0.000 0.492 279 P HA 0.322 nan 4.420 nan 0.000 0.276 279 P C -2.696 174.651 177.300 0.078 0.000 1.252 279 P CA -1.182 61.856 63.100 -0.104 0.000 0.802 279 P CB 0.263 31.854 31.700 -0.182 0.000 1.035 280 P HA 0.111 nan 4.420 nan 0.000 0.272 280 P C -0.025 177.407 177.300 0.220 0.000 1.230 280 P CA -0.042 63.115 63.100 0.097 0.000 0.788 280 P CB 0.454 32.167 31.700 0.020 0.000 0.949 281 L N 1.878 123.142 121.223 0.070 0.000 2.534 281 L HA 0.049 4.389 4.340 0.000 0.000 0.271 281 L C 1.734 178.659 176.870 0.091 0.000 1.178 281 L CA 0.155 55.030 54.840 0.058 0.000 0.907 281 L CB -0.338 41.697 42.059 -0.041 0.000 1.164 281 L HN 0.322 nan 8.230 nan 0.000 0.482 282 R N 3.218 123.797 120.500 0.132 0.000 2.544 282 R HA 0.488 4.828 4.340 0.000 0.000 0.205 282 R C -0.100 176.233 176.300 0.056 0.000 1.324 282 R CA -0.861 55.284 56.100 0.075 0.000 1.008 282 R CB 0.214 30.554 30.300 0.068 0.000 2.138 282 R HN 0.429 nan 8.270 nan 0.000 0.514 283 K N 0.721 121.145 120.400 0.040 0.000 2.127 283 K HA 0.129 4.449 4.320 0.000 0.000 0.240 283 K C 1.099 177.720 176.600 0.035 0.000 1.024 283 K CA -0.413 55.892 56.287 0.030 0.000 0.918 283 K CB 0.666 33.177 32.500 0.017 0.000 1.108 283 K HN 0.165 nan 8.250 nan 0.000 0.485 284 K N 1.415 121.831 120.400 0.027 0.000 2.044 284 K HA -0.240 4.080 4.320 0.000 0.000 0.210 284 K C 1.767 178.379 176.600 0.020 0.000 1.049 284 K CA 1.806 58.107 56.287 0.023 0.000 0.927 284 K CB -0.005 32.505 32.500 0.016 0.000 0.713 284 K HN 0.540 nan 8.250 nan 0.000 0.443 285 E N -0.024 120.186 120.200 0.016 0.000 2.118 285 E HA -0.229 4.121 4.350 0.000 0.000 0.195 285 E C 1.319 177.929 176.600 0.017 0.000 0.992 285 E CA 1.632 58.040 56.400 0.013 0.000 0.804 285 E CB -0.034 29.671 29.700 0.008 0.000 0.741 285 E HN 0.424 nan 8.360 nan 0.000 0.458 286 D N -0.131 120.282 120.400 0.023 0.000 2.103 286 D HA -0.148 4.492 4.640 0.000 0.000 0.199 286 D C 2.048 178.372 176.300 0.040 0.000 0.978 286 D CA 0.561 54.578 54.000 0.028 0.000 0.829 286 D CB -0.329 40.491 40.800 0.034 0.000 0.981 286 D HN 0.134 nan 8.370 nan 0.000 0.464 287 R N 0.772 121.302 120.500 0.049 0.000 2.113 287 R HA -0.141 4.199 4.340 0.000 0.000 0.244 287 R C 2.489 178.809 176.300 0.034 0.000 1.142 287 R CA 1.048 57.179 56.100 0.051 0.000 0.953 287 R CB -0.344 29.981 30.300 0.042 0.000 0.860 287 R HN 0.185 nan 8.270 nan 0.000 0.438 288 L N -0.213 121.024 121.223 0.024 0.000 2.156 288 L HA -0.076 4.264 4.340 0.000 0.000 0.208 288 L C 2.683 179.565 176.870 0.019 0.000 1.095 288 L CA 0.963 55.814 54.840 0.017 0.000 0.770 288 L CB -0.510 41.556 42.059 0.012 0.000 0.914 288 L HN 0.320 nan 8.230 nan 0.000 0.439 289 A N 0.480 123.312 122.820 0.019 0.000 1.902 289 A HA -0.160 4.160 4.320 0.000 0.000 0.217 289 A C 2.244 179.840 177.584 0.019 0.000 1.181 289 A CA 1.319 53.365 52.037 0.016 0.000 0.623 289 A CB -0.632 18.376 19.000 0.012 0.000 0.818 289 A HN 0.345 nan 8.150 nan 0.000 0.443 290 L N -0.841 120.399 121.223 0.028 0.000 2.083 290 L HA -0.189 4.151 4.340 0.000 0.000 0.209 290 L C 2.477 179.372 176.870 0.040 0.000 1.083 290 L CA 1.269 56.131 54.840 0.036 0.000 0.752 290 L CB -0.536 41.558 42.059 0.058 0.000 0.899 290 L HN 0.364 nan 8.230 nan 0.000 0.433 291 I N -0.296 120.299 120.570 0.042 0.000 2.202 291 I HA -0.260 3.910 4.170 0.000 0.000 0.242 291 I C 2.627 178.763 176.117 0.032 0.000 1.091 291 I CA 1.067 62.394 61.300 0.045 0.000 1.368 291 I CB -0.121 37.900 38.000 0.035 0.000 1.058 291 I HN 0.211 nan 8.210 nan 0.000 0.410 292 E N 1.213 121.426 120.200 0.022 0.000 2.077 292 E HA -0.167 4.183 4.350 0.000 0.000 0.193 292 E C 2.182 178.788 176.600 0.009 0.000 0.989 292 E CA 1.605 58.014 56.400 0.015 0.000 0.800 292 E CB -0.581 29.126 29.700 0.011 0.000 0.746 292 E HN 0.408 nan 8.360 nan 0.000 0.452 293 G N -0.059 108.746 108.800 0.007 0.000 2.440 293 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 293 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 293 G C 1.740 176.628 174.900 -0.020 0.000 1.154 293 G CA 1.065 46.163 45.100 -0.003 0.000 0.767 293 G HN 0.267 nan 8.290 nan 0.000 0.552 294 V N 0.672 120.576 119.914 -0.017 0.000 2.295 294 V HA -0.146 3.974 4.120 0.000 0.000 0.246 294 V C 2.681 178.754 176.094 -0.035 0.000 1.049 294 V CA 2.327 64.597 62.300 -0.050 0.000 1.024 294 V CB -0.387 31.436 31.823 -0.001 0.000 0.648 294 V HN 0.443 nan 8.190 nan 0.000 0.447 295 K N 0.824 121.225 120.400 0.001 0.000 2.026 295 K HA -0.200 4.120 4.320 0.000 0.000 0.208 295 K C 2.087 178.686 176.600 -0.001 0.000 1.048 295 K CA 1.794 58.087 56.287 0.010 0.000 0.929 295 K CB -0.136 32.377 32.500 0.020 0.000 0.713 295 K HN 0.564 nan 8.250 nan 0.000 0.439 296 R N -1.015 119.481 120.500 -0.006 0.000 2.388 296 R HA 0.157 4.497 4.340 0.000 0.000 0.247 296 R C 0.643 176.934 176.300 -0.015 0.000 0.931 296 R CA 0.655 56.752 56.100 -0.006 0.000 1.082 296 R CB 0.202 30.501 30.300 -0.001 0.000 1.135 296 R HN 0.290 nan 8.270 nan 0.000 0.525 297 G N 1.380 110.162 108.800 -0.029 0.000 2.162 297 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 297 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 297 G C 0.646 175.524 174.900 -0.036 0.000 0.976 297 G CA 0.471 45.547 45.100 -0.039 0.000 0.655 297 G HN 0.378 nan 8.290 nan 0.000 0.533 298 I N 0.205 120.758 120.570 -0.027 0.000 2.252 298 I HA 0.080 4.251 4.170 0.000 0.000 0.245 298 I C 1.606 177.706 176.117 -0.029 0.000 1.102 298 I CA 0.896 62.185 61.300 -0.017 0.000 1.385 298 I CB -0.133 37.865 38.000 -0.004 0.000 1.064 298 I HN 0.200 nan 8.210 nan 0.000 0.414 299 I N 1.937 122.474 120.570 -0.054 0.000 2.371 299 I HA -0.016 4.154 4.170 0.000 0.000 0.290 299 I C 0.715 176.763 176.117 -0.115 0.000 1.028 299 I CA 0.152 61.406 61.300 -0.077 0.000 1.345 299 I CB 0.902 38.847 38.000 -0.092 0.000 1.407 299 I HN 0.139 nan 8.210 nan 0.000 0.501 300 D N 4.811 125.167 120.400 -0.074 0.000 2.240 300 D HA 0.024 4.664 4.640 0.000 0.000 0.206 300 D C 0.316 176.532 176.300 -0.141 0.000 0.963 300 D CA 0.853 54.812 54.000 -0.068 0.000 0.863 300 D CB 0.519 41.333 40.800 0.023 0.000 0.973 300 D HN 0.653 nan 8.370 nan 0.000 0.501 301 C N -1.338 117.859 119.300 -0.171 0.000 3.311 301 C HA 0.633 5.093 4.460 0.000 0.000 0.325 301 C C -1.048 173.758 174.990 -0.307 0.000 1.352 301 C CA -1.432 57.430 59.018 -0.261 0.000 1.308 301 C CB 0.277 27.978 27.740 -0.066 0.000 1.619 301 C HN -0.111 nan 8.230 nan 0.000 0.469 302 F N 1.608 121.451 119.950 -0.177 0.000 2.384 302 F HA 0.681 5.208 4.527 0.000 0.000 0.338 302 F C 0.853 176.682 175.800 0.048 0.000 1.103 302 F CA 0.283 58.199 58.000 -0.140 0.000 1.157 302 F CB 1.309 40.046 39.000 -0.438 0.000 1.167 302 F HN 1.096 nan 8.300 nan 0.000 0.529 303 A N 0.893 123.895 122.820 0.304 0.000 2.429 303 A HA 0.468 4.788 4.320 0.000 0.000 0.289 303 A C 0.560 178.268 177.584 0.207 0.000 1.043 303 A CA -0.152 52.038 52.037 0.255 0.000 0.722 303 A CB 0.733 19.890 19.000 0.262 0.000 1.243 303 A HN 0.841 nan 8.150 nan 0.000 0.415 304 T N -0.750 113.889 114.554 0.143 0.000 2.833 304 T HA -0.079 4.271 4.350 0.000 0.000 0.269 304 T C 0.746 175.476 174.700 0.051 0.000 1.054 304 T CA 1.594 63.762 62.100 0.112 0.000 1.135 304 T CB -0.389 68.523 68.868 0.072 0.000 0.869 304 T HN 1.230 nan 8.240 nan 0.000 0.466 305 D N 0.961 121.315 120.400 -0.077 0.000 2.772 305 D HA -0.231 4.409 4.640 0.000 0.000 0.233 305 D C -0.168 176.157 176.300 0.042 0.000 1.143 305 D CA 0.714 54.548 54.000 -0.276 0.000 0.700 305 D CB -2.533 38.073 40.800 -0.322 0.000 1.076 305 D HN 0.910 nan 8.370 nan 0.000 0.430 306 H N -0.105 118.966 119.070 0.002 0.000 3.267 306 H HA 0.258 4.814 4.556 0.000 0.000 0.239 306 H C 0.070 175.443 175.328 0.075 0.000 0.836 306 H CA 1.298 57.359 56.048 0.022 0.000 1.388 306 H CB -0.019 29.733 29.762 -0.017 0.000 1.505 306 H HN 0.289 nan 8.280 nan 0.000 0.510 307 A N 7.545 130.233 122.820 -0.220 0.000 3.030 307 A HA 0.310 4.630 4.320 0.000 0.000 0.335 307 A C -2.765 174.545 177.584 -0.456 0.000 1.089 307 A CA -1.588 50.290 52.037 -0.266 0.000 0.807 307 A CB 0.290 19.170 19.000 -0.200 0.000 1.099 307 A HN 0.527 nan 8.150 nan 0.000 0.474 308 P HA 0.240 nan 4.420 nan 0.000 0.271 308 P C -0.785 176.134 177.300 -0.635 0.000 1.220 308 P CA 0.676 63.505 63.100 -0.452 0.000 0.768 308 P CB 0.569 32.089 31.700 -0.300 0.000 0.848 309 H N 1.212 120.155 119.070 -0.211 0.000 2.851 309 H HA 0.272 4.828 4.556 0.000 0.000 0.372 309 H C 0.467 175.664 175.328 -0.218 0.000 1.158 309 H CA -0.548 55.364 56.048 -0.227 0.000 1.159 309 H CB 1.618 31.245 29.762 -0.224 0.000 1.757 309 H HN 0.395 nan 8.280 nan 0.000 0.546 310 Q N 0.629 120.366 119.800 -0.104 0.000 2.535 310 Q HA 0.029 4.369 4.340 0.000 0.000 0.228 310 Q C 1.366 177.263 176.000 -0.171 0.000 1.062 310 Q CA 0.315 56.062 55.803 -0.094 0.000 0.967 310 Q CB 0.752 29.551 28.738 0.100 0.000 1.273 310 Q HN 0.880 nan 8.270 nan 0.000 0.554 311 T N -2.267 112.256 114.554 -0.052 0.000 2.833 311 T HA -0.165 4.185 4.350 0.000 0.000 0.269 311 T C 1.598 176.292 174.700 -0.011 0.000 1.054 311 T CA 1.725 63.794 62.100 -0.052 0.000 1.135 311 T CB -0.437 68.418 68.868 -0.022 0.000 0.869 311 T HN 0.591 nan 8.240 nan 0.000 0.466 312 F N 1.852 121.802 119.950 -0.001 0.000 2.502 312 F HA 0.356 4.883 4.527 0.000 0.000 0.298 312 F C 1.718 177.522 175.800 0.007 0.000 1.111 312 F CA 0.241 58.240 58.000 -0.002 0.000 1.445 312 F CB -0.655 38.341 39.000 -0.006 0.000 1.081 312 F HN 0.153 nan 8.300 nan 0.000 0.558 313 E N 0.387 120.191 120.200 -0.660 0.000 2.476 313 E HA 0.069 4.419 4.350 0.000 0.000 0.191 313 E C 0.087 176.540 176.600 -0.244 0.000 1.064 313 E CA 0.034 56.154 56.400 -0.465 0.000 0.866 313 E CB 0.089 29.443 29.700 -0.577 0.000 0.952 313 E HN 0.202 nan 8.360 nan 0.000 0.492 314 K N 0.570 120.874 120.400 -0.161 0.000 3.253 314 K HA 0.229 4.549 4.320 0.000 0.000 0.174 314 K C -0.339 176.224 176.600 -0.062 0.000 1.071 314 K CA 0.086 56.303 56.287 -0.116 0.000 0.836 314 K CB 0.798 33.219 32.500 -0.131 0.000 0.922 314 K HN 0.097 nan 8.250 nan 0.000 0.565 315 E N 0.032 120.221 120.200 -0.019 0.000 2.720 315 E HA 0.298 4.648 4.350 0.000 0.000 0.260 315 E C 0.068 176.681 176.600 0.021 0.000 0.967 315 E CA -0.464 55.943 56.400 0.011 0.000 1.055 315 E CB 0.295 30.021 29.700 0.043 0.000 2.411 315 E HN 0.064 nan 8.360 nan 0.000 0.570 316 L N 2.970 124.240 121.223 0.078 0.000 2.410 316 L HA 0.021 4.361 4.340 0.000 0.000 0.273 316 L C 1.378 178.252 176.870 0.007 0.000 1.144 316 L CA -0.469 54.415 54.840 0.073 0.000 0.863 316 L CB 0.984 43.155 42.059 0.186 0.000 1.140 316 L HN 0.187 nan 8.230 nan 0.000 0.463 317 V N 2.358 122.237 119.914 -0.057 0.000 2.324 317 V HA -0.310 3.810 4.120 0.000 0.000 0.250 317 V C 2.340 178.337 176.094 -0.161 0.000 1.060 317 V CA 2.244 64.484 62.300 -0.099 0.000 1.042 317 V CB -0.603 31.160 31.823 -0.100 0.000 0.650 317 V HN 0.973 nan 8.190 nan 0.000 0.450 318 E N -0.340 119.697 120.200 -0.271 0.000 2.171 318 E HA -0.239 4.111 4.350 0.000 0.000 0.197 318 E C 1.639 177.899 176.600 -0.566 0.000 0.997 318 E CA 1.805 57.895 56.400 -0.516 0.000 0.810 318 E CB -0.059 29.149 29.700 -0.821 0.000 0.738 318 E HN 0.665 nan 8.360 nan 0.000 0.467 319 F N -0.231 119.694 119.950 -0.043 0.000 2.678 319 F HA 0.397 4.924 4.527 0.000 0.000 0.305 319 F C 0.659 176.411 175.800 -0.080 0.000 1.090 319 F CA -0.077 57.897 58.000 -0.045 0.000 1.272 319 F CB 0.160 39.146 39.000 -0.024 0.000 1.060 319 F HN -0.064 nan 8.300 nan 0.000 0.576 320 A N 1.426 124.256 122.820 0.018 0.000 2.462 320 A HA 0.372 4.692 4.320 0.000 0.000 0.243 320 A C 0.626 178.111 177.584 -0.166 0.000 1.076 320 A CA -0.353 51.634 52.037 -0.083 0.000 0.773 320 A CB 0.129 19.065 19.000 -0.106 0.000 1.010 320 A HN 0.059 nan 8.150 nan 0.000 0.493 321 M N 3.320 122.733 119.600 -0.311 0.000 2.238 321 M HA 0.190 4.670 4.480 0.000 0.000 0.350 321 M C -2.191 173.805 176.300 -0.506 0.000 1.321 321 M CA -2.306 52.673 55.300 -0.534 0.000 1.097 321 M CB -0.152 31.811 32.600 -1.062 0.000 1.713 321 M HN 0.355 nan 8.290 nan 0.000 0.455 322 P HA 0.508 nan 4.420 nan 0.000 0.276 322 P C -0.104 177.176 177.300 -0.035 0.000 1.230 322 P CA 0.095 63.105 63.100 -0.149 0.000 0.776 322 P CB 0.917 32.573 31.700 -0.073 0.000 0.888 323 G N 1.837 110.643 108.800 0.010 0.000 2.318 323 G HA2 0.331 4.291 3.960 0.000 0.000 0.302 323 G HA3 0.331 4.291 3.960 0.000 0.000 0.302 323 G C -1.851 173.056 174.900 0.011 0.000 1.633 323 G CA -0.758 44.379 45.100 0.061 0.000 0.965 323 G HN 0.402 nan 8.290 nan 0.000 0.698 324 I N 1.775 122.322 120.570 -0.039 0.000 2.582 324 I HA 0.505 4.675 4.170 0.000 0.000 0.292 324 I C 0.824 176.877 176.117 -0.108 0.000 1.066 324 I CA -1.250 60.013 61.300 -0.063 0.000 1.053 324 I CB 2.165 40.141 38.000 -0.041 0.000 1.241 324 I HN 0.739 nan 8.210 nan 0.000 0.421 325 I N 0.966 121.448 120.570 -0.147 0.000 2.823 325 I HA 0.704 4.874 4.170 0.000 0.000 0.290 325 I C 0.721 176.848 176.117 0.017 0.000 1.091 325 I CA 0.108 61.256 61.300 -0.253 0.000 1.365 325 I CB 0.995 38.840 38.000 -0.257 0.000 1.427 325 I HN 0.782 nan 8.210 nan 0.000 0.583 326 G N 3.896 112.820 108.800 0.207 0.000 4.189 326 G HA2 0.142 4.102 3.960 0.000 0.000 0.220 326 G HA3 0.142 4.102 3.960 0.000 0.000 0.220 326 G C 0.709 175.762 174.900 0.255 0.000 1.071 326 G CA -0.290 44.948 45.100 0.231 0.000 0.854 326 G HN 0.637 nan 8.290 nan 0.000 0.426 327 L N 0.057 121.460 121.223 0.300 0.000 2.046 327 L HA -0.053 4.287 4.340 0.000 0.000 0.208 327 L C 2.773 179.777 176.870 0.224 0.000 1.077 327 L CA 1.357 56.233 54.840 0.059 0.000 0.747 327 L CB -0.042 41.872 42.059 -0.241 0.000 0.896 327 L HN 0.217 nan 8.230 nan 0.000 0.432 328 Q N -1.851 118.085 119.800 0.227 0.000 2.451 328 Q HA -0.072 4.268 4.340 0.000 0.000 0.206 328 Q C 1.527 177.748 176.000 0.368 0.000 0.947 328 Q CA 0.814 56.764 55.803 0.245 0.000 0.937 328 Q CB 0.465 29.363 28.738 0.267 0.000 1.025 328 Q HN 0.303 nan 8.270 nan 0.000 0.511 329 T N -1.225 113.509 114.554 0.300 0.000 2.958 329 T HA 0.239 4.589 4.350 0.000 0.000 0.256 329 T C 1.446 176.253 174.700 0.178 0.000 0.983 329 T CA 0.555 62.799 62.100 0.239 0.000 0.924 329 T CB 0.323 69.300 68.868 0.181 0.000 1.136 329 T HN 0.257 nan 8.240 nan 0.000 0.506 330 A N 1.746 124.693 122.820 0.213 0.000 1.873 330 A HA -0.048 4.272 4.320 0.000 0.000 0.218 330 A C 2.069 179.724 177.584 0.118 0.000 1.193 330 A CA 1.636 53.802 52.037 0.216 0.000 0.629 330 A CB -0.949 18.307 19.000 0.427 0.000 0.826 330 A HN 0.448 nan 8.150 nan 0.000 0.447 331 L N 0.822 122.027 121.223 -0.029 0.000 1.955 331 L HA -0.093 4.247 4.340 0.000 0.000 0.213 331 L C -0.583 176.267 176.870 -0.035 0.000 1.072 331 L CA 2.905 57.632 54.840 -0.190 0.000 0.755 331 L CB -1.254 40.622 42.059 -0.305 0.000 0.888 331 L HN 0.250 nan 8.230 nan 0.000 0.432 332 P HA -0.096 nan 4.420 nan 0.000 0.220 332 P C 1.643 178.947 177.300 0.008 0.000 1.148 332 P CA 1.504 64.648 63.100 0.074 0.000 0.803 332 P CB -0.051 31.725 31.700 0.126 0.000 0.782 333 S N 0.629 116.322 115.700 -0.012 0.000 2.348 333 S HA -0.094 4.376 4.470 0.000 0.000 0.221 333 S C 2.260 176.786 174.600 -0.124 0.000 1.033 333 S CA 1.420 59.579 58.200 -0.067 0.000 1.010 333 S CB -1.095 62.074 63.200 -0.053 0.000 0.891 333 S HN 0.202 nan 8.310 nan 0.000 0.442 334 A N 1.220 123.921 122.820 -0.199 0.000 1.978 334 A HA -0.026 4.295 4.320 0.000 0.000 0.220 334 A C 2.062 179.605 177.584 -0.069 0.000 1.170 334 A CA 1.163 52.997 52.037 -0.338 0.000 0.636 334 A CB -0.724 17.946 19.000 -0.549 0.000 0.810 334 A HN 0.462 nan 8.150 nan 0.000 0.448 335 L N -0.021 121.209 121.223 0.012 0.000 2.275 335 L HA -0.170 4.170 4.340 0.000 0.000 0.215 335 L C 2.541 179.506 176.870 0.157 0.000 1.119 335 L CA 1.381 56.306 54.840 0.141 0.000 0.790 335 L CB -0.390 41.766 42.059 0.162 0.000 0.919 335 L HN 0.688 nan 8.230 nan 0.000 0.443 336 E N -0.058 120.177 120.200 0.058 0.000 2.358 336 E HA -0.134 4.216 4.350 0.000 0.000 0.195 336 E C 2.090 178.709 176.600 0.031 0.000 1.010 336 E CA 0.448 56.865 56.400 0.029 0.000 0.856 336 E CB -0.168 29.521 29.700 -0.018 0.000 0.795 336 E HN 0.502 nan 8.360 nan 0.000 0.504 337 L N 0.271 121.526 121.223 0.053 0.000 2.079 337 L HA -0.187 4.153 4.340 0.000 0.000 0.210 337 L C 2.660 179.614 176.870 0.140 0.000 1.081 337 L CA 1.580 56.473 54.840 0.089 0.000 0.752 337 L CB -0.753 41.380 42.059 0.123 0.000 0.896 337 L HN 0.190 nan 8.230 nan 0.000 0.433 338 Y N 1.102 121.431 120.300 0.048 0.000 2.184 338 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 338 Y C 2.769 178.696 175.900 0.045 0.000 1.129 338 Y CA 1.202 59.339 58.100 0.062 0.000 1.144 338 Y CB -0.306 38.209 38.460 0.091 0.000 0.995 338 Y HN -0.082 nan 8.280 nan 0.000 0.513 339 R N 0.357 120.775 120.500 -0.137 0.000 2.127 339 R HA -0.129 4.211 4.340 0.000 0.000 0.238 339 R C 1.781 177.993 176.300 -0.146 0.000 1.134 339 R CA 1.718 57.690 56.100 -0.214 0.000 0.975 339 R CB -0.193 30.063 30.300 -0.073 0.000 0.865 339 R HN 0.288 nan 8.270 nan 0.000 0.447 340 K N -0.435 119.922 120.400 -0.071 0.000 2.505 340 K HA 0.078 4.398 4.320 0.000 0.000 0.192 340 K C 0.555 177.131 176.600 -0.041 0.000 1.025 340 K CA 0.439 56.697 56.287 -0.048 0.000 1.086 340 K CB 0.670 33.156 32.500 -0.023 0.000 0.840 340 K HN 0.335 nan 8.250 nan 0.000 0.514 341 G N 1.569 110.332 108.800 -0.063 0.000 2.249 341 G HA2 -0.266 3.694 3.960 0.000 0.000 0.273 341 G HA3 -0.266 3.694 3.960 0.000 0.000 0.273 341 G C 0.546 175.455 174.900 0.015 0.000 1.036 341 G CA 0.303 45.383 45.100 -0.034 0.000 0.824 341 G HN 0.335 nan 8.290 nan 0.000 0.504 342 I N -0.273 120.321 120.570 0.041 0.000 2.556 342 I HA 0.274 4.444 4.170 0.000 0.000 0.251 342 I C 1.591 177.757 176.117 0.081 0.000 1.105 342 I CA 0.987 62.319 61.300 0.054 0.000 1.436 342 I CB 0.012 38.045 38.000 0.055 0.000 1.139 342 I HN 0.478 nan 8.210 nan 0.000 0.438 343 I N -1.967 118.680 120.570 0.129 0.000 2.740 343 I HA 0.502 4.672 4.170 0.000 0.000 0.303 343 I C 0.312 176.569 176.117 0.234 0.000 1.044 343 I CA -0.832 60.559 61.300 0.152 0.000 1.064 343 I CB 1.886 39.979 38.000 0.154 0.000 1.249 343 I HN -0.042 nan 8.210 nan 0.000 0.433 344 S N 3.989 119.804 115.700 0.192 0.000 2.596 344 S HA 0.135 4.605 4.470 0.000 0.000 0.260 344 S C 0.838 175.549 174.600 0.186 0.000 1.336 344 S CA -0.548 57.792 58.200 0.234 0.000 0.993 344 S CB 1.312 64.603 63.200 0.151 0.000 0.923 344 S HN 0.781 nan 8.310 nan 0.000 0.567 345 L N 1.373 122.636 121.223 0.067 0.000 2.017 345 L HA 0.014 4.354 4.340 0.000 0.000 0.208 345 L C 2.614 179.500 176.870 0.027 0.000 1.073 345 L CA 2.088 56.814 54.840 -0.190 0.000 0.745 345 L CB -1.121 40.727 42.059 -0.352 0.000 0.894 345 L HN 0.984 nan 8.230 nan 0.000 0.432 346 K N -0.400 120.050 120.400 0.083 0.000 2.089 346 K HA -0.314 4.006 4.320 0.000 0.000 0.210 346 K C 2.259 178.913 176.600 0.090 0.000 1.048 346 K CA 2.173 58.523 56.287 0.106 0.000 0.926 346 K CB -0.143 32.419 32.500 0.104 0.000 0.714 346 K HN 0.278 nan 8.250 nan 0.000 0.448 347 K N 0.925 121.372 120.400 0.077 0.000 2.025 347 K HA -0.128 4.192 4.320 0.000 0.000 0.207 347 K C 2.078 178.704 176.600 0.044 0.000 1.049 347 K CA 1.321 57.637 56.287 0.048 0.000 0.933 347 K CB -0.387 32.144 32.500 0.052 0.000 0.714 347 K HN 0.248 nan 8.250 nan 0.000 0.438 348 L N 0.689 121.971 121.223 0.098 0.000 2.013 348 L HA -0.192 4.148 4.340 0.000 0.000 0.212 348 L C 2.145 179.109 176.870 0.157 0.000 1.073 348 L CA 1.779 56.718 54.840 0.165 0.000 0.753 348 L CB -0.263 41.883 42.059 0.144 0.000 0.890 348 L HN 0.316 nan 8.230 nan 0.000 0.432 349 I N -0.411 120.260 120.570 0.168 0.000 2.226 349 I HA -0.292 3.878 4.170 0.000 0.000 0.245 349 I C 2.438 178.649 176.117 0.157 0.000 1.100 349 I CA 1.448 62.877 61.300 0.216 0.000 1.374 349 I CB -0.382 37.777 38.000 0.266 0.000 1.057 349 I HN 0.325 nan 8.210 nan 0.000 0.413 350 E N 0.590 120.843 120.200 0.088 0.000 2.086 350 E HA -0.275 4.075 4.350 0.000 0.000 0.200 350 E C 2.231 178.826 176.600 -0.008 0.000 1.012 350 E CA 1.650 58.075 56.400 0.041 0.000 0.812 350 E CB -0.134 29.570 29.700 0.006 0.000 0.743 350 E HN 0.437 nan 8.360 nan 0.000 0.453 351 M N -0.821 118.710 119.600 -0.115 0.000 2.549 351 M HA -0.077 4.403 4.480 0.000 0.000 0.260 351 M C 1.013 177.179 176.300 -0.224 0.000 1.076 351 M CA 1.034 56.151 55.300 -0.303 0.000 1.090 351 M CB 0.138 32.303 32.600 -0.724 0.000 1.418 351 M HN 0.109 nan 8.290 nan 0.000 0.486 352 F N -0.992 118.963 119.950 0.008 0.000 2.731 352 F HA 0.024 4.551 4.527 0.000 0.000 0.298 352 F C 2.067 177.914 175.800 0.078 0.000 1.106 352 F CA 0.406 58.385 58.000 -0.034 0.000 1.329 352 F CB 0.400 39.048 39.000 -0.587 0.000 1.100 352 F HN 0.183 nan 8.300 nan 0.000 0.592 353 T N -2.654 112.045 114.554 0.243 0.000 3.364 353 T HA 0.095 4.445 4.350 0.000 0.000 0.179 353 T C 1.372 176.153 174.700 0.135 0.000 0.939 353 T CA 0.136 62.370 62.100 0.224 0.000 1.094 353 T CB -0.622 68.390 68.868 0.240 0.000 1.532 353 T HN -0.087 nan 8.240 nan 0.000 0.346 354 I N 3.056 123.684 120.570 0.097 0.000 2.439 354 I HA 0.095 4.265 4.170 0.000 0.000 0.251 354 I C 1.760 177.900 176.117 0.037 0.000 1.139 354 I CA 1.001 62.337 61.300 0.060 0.000 1.438 354 I CB -0.965 37.063 38.000 0.048 0.000 1.085 354 I HN 0.239 nan 8.210 nan 0.000 0.427 355 N N 1.613 120.328 118.700 0.025 0.000 2.039 355 N HA -0.093 4.647 4.740 0.000 0.000 0.193 355 N C -0.920 174.596 175.510 0.010 0.000 1.044 355 N CA 2.127 55.177 53.050 -0.000 0.000 0.847 355 N CB -2.035 36.427 38.487 -0.043 0.000 1.030 355 N HN 0.305 nan 8.380 nan 0.000 0.422 356 P HA -0.036 nan 4.420 nan 0.000 0.218 356 P C 0.874 178.185 177.300 0.018 0.000 1.149 356 P CA 1.350 64.463 63.100 0.022 0.000 0.817 356 P CB -0.010 31.739 31.700 0.081 0.000 0.785 357 A N 0.772 123.617 122.820 0.042 0.000 1.902 357 A HA -0.166 4.154 4.320 0.000 0.000 0.217 357 A C 2.379 179.972 177.584 0.016 0.000 1.181 357 A CA 1.265 53.322 52.037 0.032 0.000 0.623 357 A CB -1.027 18.000 19.000 0.045 0.000 0.818 357 A HN 0.088 nan 8.150 nan 0.000 0.443 358 R N -0.667 119.842 120.500 0.016 0.000 2.148 358 R HA 0.070 4.410 4.340 0.000 0.000 0.223 358 R C 1.893 178.210 176.300 0.028 0.000 1.088 358 R CA 1.143 57.250 56.100 0.012 0.000 0.985 358 R CB -0.416 29.885 30.300 0.003 0.000 0.880 358 R HN 0.563 nan 8.270 nan 0.000 0.451 359 I N 1.318 121.905 120.570 0.030 0.000 2.226 359 I HA -0.249 3.921 4.170 0.000 0.000 0.245 359 I C 2.198 178.341 176.117 0.043 0.000 1.100 359 I CA 1.448 62.794 61.300 0.077 0.000 1.374 359 I CB -0.157 37.813 38.000 -0.049 0.000 1.057 359 I HN 0.175 nan 8.210 nan 0.000 0.413 360 I N -1.889 118.660 120.570 -0.035 0.000 3.793 360 I HA 0.387 4.557 4.170 0.000 0.000 0.315 360 I C 1.275 177.376 176.117 -0.027 0.000 1.275 360 I CA 0.386 61.648 61.300 -0.064 0.000 1.214 360 I CB -0.216 37.726 38.000 -0.097 0.000 1.018 360 I HN 0.219 nan 8.210 nan 0.000 0.439 361 G N 1.961 110.763 108.800 0.004 0.000 2.225 361 G HA2 -0.213 3.747 3.960 0.000 0.000 0.264 361 G HA3 -0.213 3.747 3.960 0.000 0.000 0.264 361 G C -0.153 174.746 174.900 -0.002 0.000 1.060 361 G CA 0.334 45.439 45.100 0.008 0.000 0.833 361 G HN 0.398 nan 8.290 nan 0.000 0.498 362 V N -0.124 119.789 119.914 -0.002 0.000 2.581 362 V HA 0.609 4.729 4.120 0.000 0.000 0.303 362 V C -0.024 176.074 176.094 0.006 0.000 1.041 362 V CA -0.649 61.650 62.300 -0.002 0.000 0.907 362 V CB 1.897 33.717 31.823 -0.005 0.000 0.994 362 V HN 0.263 nan 8.190 nan 0.000 0.442 363 D N 5.815 126.217 120.400 0.005 0.000 2.713 363 D HA 0.345 4.985 4.640 0.000 0.000 0.229 363 D C -0.289 176.018 176.300 0.012 0.000 1.136 363 D CA 0.462 54.466 54.000 0.007 0.000 1.010 363 D CB -0.475 40.326 40.800 0.002 0.000 1.084 363 D HN 0.424 nan 8.370 nan 0.000 0.495 364 L N -1.066 120.170 121.223 0.021 0.000 2.205 364 L HA 0.582 4.922 4.340 0.000 0.000 0.242 364 L C 1.252 178.149 176.870 0.046 0.000 1.115 364 L CA -0.988 53.871 54.840 0.031 0.000 0.987 364 L CB 1.195 43.276 42.059 0.037 0.000 1.568 364 L HN 0.185 nan 8.230 nan 0.000 0.450 365 G N 0.521 109.360 108.800 0.066 0.000 2.198 365 G HA2 -0.200 3.760 3.960 0.000 0.000 0.257 365 G HA3 -0.200 3.760 3.960 0.000 0.000 0.257 365 G C -0.064 174.880 174.900 0.073 0.000 1.042 365 G CA 0.645 45.799 45.100 0.091 0.000 0.791 365 G HN 0.711 nan 8.290 nan 0.000 0.502 366 T N -1.429 113.156 114.554 0.052 0.000 2.889 366 T HA 0.594 4.944 4.350 0.000 0.000 0.315 366 T C 0.310 175.021 174.700 0.018 0.000 1.291 366 T CA -0.593 61.527 62.100 0.033 0.000 1.028 366 T CB 1.153 70.032 68.868 0.019 0.000 1.235 366 T HN 0.493 nan 8.240 nan 0.000 0.491 367 L N 2.406 123.632 121.223 0.005 0.000 3.066 367 L HA 0.420 4.760 4.340 0.000 0.000 0.265 367 L C 0.690 177.541 176.870 -0.031 0.000 1.232 367 L CA -0.509 54.323 54.840 -0.013 0.000 1.031 367 L CB 0.093 42.142 42.059 -0.018 0.000 1.379 367 L HN 0.445 nan 8.230 nan 0.000 0.563 368 K N 1.143 121.528 120.400 -0.025 0.000 2.550 368 K HA 0.045 4.365 4.320 0.000 0.000 0.280 368 K C -0.287 176.292 176.600 -0.034 0.000 0.987 368 K CA -0.261 56.007 56.287 -0.032 0.000 1.048 368 K CB 0.459 32.947 32.500 -0.021 0.000 0.879 368 K HN -0.069 nan 8.250 nan 0.000 0.491 369 L N 2.608 123.806 121.223 -0.042 0.000 2.584 369 L HA -0.001 4.339 4.340 0.000 0.000 0.272 369 L C 1.569 178.422 176.870 -0.028 0.000 1.195 369 L CA 1.559 56.376 54.840 -0.038 0.000 0.920 369 L CB -0.323 41.711 42.059 -0.043 0.000 1.173 369 L HN 1.005 nan 8.230 nan 0.000 0.489 370 G N 1.635 110.420 108.800 -0.025 0.000 2.213 370 G HA2 -0.239 3.721 3.960 0.000 0.000 0.226 370 G HA3 -0.239 3.721 3.960 0.000 0.000 0.226 370 G C 0.365 175.256 174.900 -0.016 0.000 0.992 370 G CA 0.201 45.289 45.100 -0.019 0.000 0.632 370 G HN 0.904 nan 8.290 nan 0.000 0.511 371 S N 1.048 116.739 115.700 -0.016 0.000 2.632 371 S HA 0.719 5.189 4.470 0.000 0.000 0.271 371 S C -2.274 172.320 174.600 -0.011 0.000 1.260 371 S CA -1.044 57.149 58.200 -0.011 0.000 1.010 371 S CB 2.049 65.244 63.200 -0.008 0.000 0.965 371 S HN 0.145 nan 8.310 nan 0.000 0.534 372 P HA 0.189 nan 4.420 nan 0.000 0.266 372 P C -0.680 176.614 177.300 -0.010 0.000 1.195 372 P CA -0.136 62.959 63.100 -0.008 0.000 0.768 372 P CB 0.219 31.916 31.700 -0.004 0.000 0.838 373 A N 2.579 125.391 122.820 -0.015 0.000 3.048 373 A HA 0.119 4.439 4.320 0.000 0.000 0.264 373 A C -0.293 177.280 177.584 -0.019 0.000 1.796 373 A CA 0.006 52.032 52.037 -0.019 0.000 1.445 373 A CB -1.246 17.739 19.000 -0.025 0.000 1.074 373 A HN 0.325 nan 8.150 nan 0.000 0.621 374 D N 1.342 121.734 120.400 -0.013 0.000 2.428 374 D HA 0.500 5.140 4.640 0.000 0.000 0.221 374 D C -0.368 175.915 176.300 -0.028 0.000 1.123 374 D CA 0.472 54.462 54.000 -0.016 0.000 0.869 374 D CB 0.808 41.608 40.800 -0.001 0.000 1.032 374 D HN 0.413 nan 8.370 nan 0.000 0.506 375 I N 1.235 121.777 120.570 -0.047 0.000 2.498 375 I HA 0.251 4.421 4.170 0.000 0.000 0.290 375 I C 0.086 176.140 176.117 -0.106 0.000 1.032 375 I CA -0.532 60.734 61.300 -0.056 0.000 1.073 375 I CB 2.290 40.266 38.000 -0.039 0.000 1.251 375 I HN -0.016 nan 8.210 nan 0.000 0.426 376 T N 6.658 121.110 114.554 -0.169 0.000 2.823 376 T HA 0.639 4.989 4.350 0.000 0.000 0.279 376 T C -0.254 174.413 174.700 -0.055 0.000 0.998 376 T CA -0.351 61.592 62.100 -0.262 0.000 0.994 376 T CB 1.119 69.495 68.868 -0.821 0.000 0.960 376 T HN 0.264 nan 8.240 nan 0.000 0.448 377 I N 4.797 125.388 120.570 0.035 0.000 2.410 377 I HA 0.540 4.710 4.170 0.000 0.000 0.286 377 I C -0.719 175.501 176.117 0.172 0.000 1.009 377 I CA -0.979 60.390 61.300 0.114 0.000 1.111 377 I CB 0.926 39.052 38.000 0.211 0.000 1.262 377 I HN 0.624 nan 8.210 nan 0.000 0.443 378 F N 3.507 123.463 119.950 0.009 0.000 2.620 378 F HA 0.647 5.174 4.527 0.000 0.000 0.320 378 F C -0.976 174.842 175.800 0.030 0.000 1.069 378 F CA -0.980 57.024 58.000 0.006 0.000 0.953 378 F CB 1.491 40.499 39.000 0.014 0.000 1.322 378 F HN 0.203 nan 8.300 nan 0.000 0.479 379 D N 3.117 123.640 120.400 0.206 0.000 2.460 379 D HA 0.330 4.970 4.640 0.000 0.000 0.232 379 D C -1.943 174.523 176.300 0.277 0.000 1.079 379 D CA -2.419 51.652 54.000 0.119 0.000 0.864 379 D CB 1.977 42.824 40.800 0.079 0.000 1.048 379 D HN 0.304 nan 8.370 nan 0.000 0.523 380 P HA -0.046 nan 4.420 nan 0.000 0.228 380 P C 0.432 177.886 177.300 0.256 0.000 1.151 380 P CA 0.670 63.994 63.100 0.372 0.000 0.770 380 P CB 0.576 32.486 31.700 0.350 0.000 0.786 381 N N -0.757 118.051 118.700 0.180 0.000 2.197 381 N HA 0.028 4.768 4.740 0.000 0.000 0.201 381 N C 0.646 176.232 175.510 0.128 0.000 1.148 381 N CA -0.025 53.106 53.050 0.135 0.000 0.883 381 N CB 0.671 39.213 38.487 0.093 0.000 1.012 381 N HN 0.250 nan 8.380 nan 0.000 0.507 382 K N 1.854 122.344 120.400 0.151 0.000 2.339 382 K HA 0.104 4.424 4.320 0.000 0.000 0.286 382 K C -0.357 176.384 176.600 0.235 0.000 1.050 382 K CA -0.012 56.365 56.287 0.150 0.000 0.956 382 K CB 0.797 33.366 32.500 0.115 0.000 0.990 382 K HN -0.025 nan 8.250 nan 0.000 0.475 383 E N 3.753 124.070 120.200 0.196 0.000 2.277 383 E HA 0.329 4.679 4.350 0.000 0.000 0.274 383 E C -0.812 175.991 176.600 0.338 0.000 1.022 383 E CA -0.455 56.068 56.400 0.205 0.000 0.853 383 E CB 0.801 30.552 29.700 0.085 0.000 1.086 383 E HN 0.547 nan 8.360 nan 0.000 0.397 384 W N 2.009 123.306 121.300 -0.006 0.000 2.895 384 W HA 0.533 5.193 4.660 0.000 0.000 0.377 384 W C -2.055 174.440 176.519 -0.041 0.000 1.191 384 W CA -0.757 56.576 57.345 -0.020 0.000 1.179 384 W CB 0.175 29.629 29.460 -0.011 0.000 1.469 384 W HN 0.338 nan 8.180 nan 0.000 0.577 385 I N 2.028 122.555 120.570 -0.072 0.000 2.582 385 I HA 0.271 4.441 4.170 0.000 0.000 0.292 385 I C -0.816 175.149 176.117 -0.254 0.000 1.066 385 I CA -1.131 59.966 61.300 -0.340 0.000 1.053 385 I CB 2.206 40.074 38.000 -0.220 0.000 1.241 385 I HN 0.216 nan 8.210 nan 0.000 0.421 386 L N 7.524 128.443 121.223 -0.507 0.000 2.342 386 L HA 0.347 4.687 4.340 0.000 0.000 0.285 386 L C -0.328 176.072 176.870 -0.784 0.000 1.095 386 L CA 0.548 55.199 54.840 -0.315 0.000 0.843 386 L CB -0.809 41.134 42.059 -0.193 0.000 1.201 386 L HN 0.810 nan 8.230 nan 0.000 0.445 387 N N 1.913 120.170 118.700 -0.739 0.000 3.506 387 N HA 0.269 5.009 4.740 0.000 0.000 0.331 387 N C 0.305 175.561 175.510 -0.424 0.000 1.631 387 N CA -0.338 52.026 53.050 -1.144 0.000 0.786 387 N CB 0.085 38.225 38.487 -0.579 0.000 2.023 387 N HN 0.280 nan 8.380 nan 0.000 0.621 388 E N 0.208 120.411 120.200 0.005 0.000 2.160 388 E HA -0.199 4.151 4.350 0.000 0.000 0.195 388 E C 0.606 177.281 176.600 0.126 0.000 0.991 388 E CA 1.351 57.886 56.400 0.227 0.000 0.810 388 E CB -0.397 29.451 29.700 0.247 0.000 0.742 388 E HN 0.705 nan 8.360 nan 0.000 0.466 389 E N 1.157 121.392 120.200 0.059 0.000 2.107 389 E HA -0.101 4.249 4.350 0.000 0.000 0.191 389 E C 2.011 178.659 176.600 0.080 0.000 0.982 389 E CA 1.852 58.289 56.400 0.062 0.000 0.809 389 E CB -0.536 29.189 29.700 0.043 0.000 0.756 389 E HN 0.528 nan 8.360 nan 0.000 0.459 390 T N -1.816 112.793 114.554 0.092 0.000 3.001 390 T HA 0.069 4.419 4.350 0.000 0.000 0.251 390 T C 0.728 175.531 174.700 0.171 0.000 1.040 390 T CA -0.338 61.846 62.100 0.139 0.000 0.985 390 T CB -0.159 68.866 68.868 0.261 0.000 1.011 390 T HN -0.111 nan 8.240 nan 0.000 0.509 391 N N 1.282 120.095 118.700 0.188 0.000 2.470 391 N HA 0.268 5.008 4.740 0.000 0.000 0.268 391 N C 0.478 176.110 175.510 0.203 0.000 1.136 391 N CA -0.348 52.857 53.050 0.258 0.000 0.961 391 N CB 0.531 39.276 38.487 0.431 0.000 1.067 391 N HN 0.256 nan 8.380 nan 0.000 0.468 392 L N 0.910 122.239 121.223 0.176 0.000 2.638 392 L HA 0.232 4.572 4.340 0.000 0.000 0.232 392 L C 0.931 177.880 176.870 0.131 0.000 1.099 392 L CA -0.100 54.817 54.840 0.129 0.000 0.883 392 L CB -0.066 42.044 42.059 0.085 0.000 1.136 392 L HN 0.438 nan 8.230 nan 0.000 0.492 393 S N 0.221 116.024 115.700 0.170 0.000 2.576 393 S HA 0.084 4.554 4.470 0.000 0.000 0.276 393 S C 1.151 175.826 174.600 0.124 0.000 1.339 393 S CA -0.339 57.961 58.200 0.166 0.000 1.039 393 S CB 0.966 64.293 63.200 0.212 0.000 0.902 393 S HN 0.170 nan 8.310 nan 0.000 0.516 394 K N 1.672 122.126 120.400 0.089 0.000 2.442 394 K HA 0.058 4.378 4.320 0.000 0.000 0.198 394 K C 0.415 177.038 176.600 0.039 0.000 1.042 394 K CA 0.440 56.769 56.287 0.069 0.000 0.958 394 K CB 0.036 32.571 32.500 0.058 0.000 0.766 394 K HN 0.353 nan 8.250 nan 0.000 0.474 395 S N -0.178 115.527 115.700 0.008 0.000 2.739 395 S HA 0.393 4.863 4.470 0.000 0.000 0.306 395 S C 0.341 174.892 174.600 -0.082 0.000 1.115 395 S CA -0.884 57.282 58.200 -0.058 0.000 0.985 395 S CB 1.565 64.701 63.200 -0.107 0.000 1.133 395 S HN 0.172 nan 8.310 nan 0.000 0.541 396 R N 0.474 120.842 120.500 -0.221 0.000 2.590 396 R HA 0.176 4.516 4.340 0.000 0.000 0.410 396 R C -0.621 175.508 176.300 -0.286 0.000 1.010 396 R CA -0.381 55.475 56.100 -0.407 0.000 1.155 396 R CB -0.143 29.467 30.300 -1.149 0.000 1.455 396 R HN 0.524 nan 8.270 nan 0.000 0.567 397 N N 1.760 120.355 118.700 -0.175 0.000 2.671 397 N HA -0.018 4.722 4.740 0.000 0.000 0.274 397 N C -0.874 174.591 175.510 -0.076 0.000 1.188 397 N CA 0.426 53.393 53.050 -0.138 0.000 1.065 397 N CB 0.975 39.396 38.487 -0.109 0.000 1.415 397 N HN -0.047 nan 8.380 nan 0.000 0.511 398 T N 0.335 114.870 114.554 -0.031 0.000 2.993 398 T HA 0.356 4.706 4.350 0.000 0.000 0.312 398 T C -2.326 172.367 174.700 -0.012 0.000 1.115 398 T CA -1.447 60.658 62.100 0.008 0.000 1.027 398 T CB 1.724 70.654 68.868 0.104 0.000 1.116 398 T HN -0.043 nan 8.240 nan 0.000 0.464 399 P HA 0.088 nan 4.420 nan 0.000 0.226 399 P C 1.111 178.387 177.300 -0.040 0.000 1.146 399 P CA 0.754 63.686 63.100 -0.281 0.000 0.773 399 P CB 0.055 31.175 31.700 -0.966 0.000 0.772 400 L N -3.087 118.197 121.223 0.102 0.000 2.592 400 L HA 0.102 4.442 4.340 0.000 0.000 0.227 400 L C 1.108 178.037 176.870 0.098 0.000 1.127 400 L CA -0.424 54.495 54.840 0.132 0.000 0.884 400 L CB -0.395 41.734 42.059 0.116 0.000 1.065 400 L HN 0.144 nan 8.230 nan 0.000 0.457 401 W N 2.024 123.301 121.300 -0.039 0.000 2.417 401 W HA 0.079 4.739 4.660 -0.000 0.000 0.332 401 W C 1.049 177.545 176.519 -0.038 0.000 1.413 401 W CA 1.447 58.772 57.345 -0.034 0.000 1.299 401 W CB 0.538 29.982 29.460 -0.027 0.000 1.304 401 W HN 0.367 nan 8.180 nan 0.000 0.565 402 G N 3.839 112.360 108.800 -0.465 0.000 2.205 402 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 402 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 402 G C 0.370 175.157 174.900 -0.188 0.000 0.980 402 G CA 0.208 45.109 45.100 -0.331 0.000 0.632 402 G HN 0.417 nan 8.290 nan 0.000 0.533 403 K N 0.509 120.816 120.400 -0.156 0.000 2.154 403 K HA 0.556 4.876 4.320 0.000 0.000 0.264 403 K C 0.628 177.101 176.600 -0.211 0.000 1.008 403 K CA -0.653 55.558 56.287 -0.127 0.000 0.937 403 K CB 1.562 34.024 32.500 -0.063 0.000 1.002 403 K HN 0.115 nan 8.250 nan 0.000 0.469 404 V N 3.854 123.666 119.914 -0.169 0.000 2.508 404 V HA 0.109 4.229 4.120 0.000 0.000 0.281 404 V C 0.390 176.335 176.094 -0.248 0.000 1.041 404 V CA -0.232 61.949 62.300 -0.197 0.000 1.016 404 V CB 0.076 31.833 31.823 -0.109 0.000 0.984 404 V HN 0.431 nan 8.190 nan 0.000 0.478 405 L N 5.341 126.315 121.223 -0.414 0.000 2.334 405 L HA 0.643 4.983 4.340 0.000 0.000 0.273 405 L C -0.135 176.613 176.870 -0.203 0.000 1.013 405 L CA -0.573 54.018 54.840 -0.415 0.000 0.816 405 L CB 1.626 43.192 42.059 -0.822 0.000 1.278 405 L HN 0.493 nan 8.230 nan 0.000 0.431 406 K N 1.556 121.934 120.400 -0.035 0.000 2.413 406 K HA 0.708 5.028 4.320 0.000 0.000 0.257 406 K C -0.625 176.081 176.600 0.176 0.000 0.946 406 K CA -0.292 56.050 56.287 0.092 0.000 0.823 406 K CB 1.754 34.291 32.500 0.061 0.000 1.109 406 K HN 0.798 nan 8.250 nan 0.000 0.427 407 G N 3.278 112.238 108.800 0.266 0.000 3.233 407 G HA2 -0.066 3.894 3.960 0.000 0.000 0.686 407 G HA3 -0.066 3.894 3.960 0.000 0.000 0.686 407 G C -1.622 173.488 174.900 0.350 0.000 1.153 407 G CA -0.755 44.517 45.100 0.286 0.000 0.853 407 G HN 0.560 nan 8.290 nan 0.000 0.582 408 K N 1.147 121.697 120.400 0.249 0.000 2.557 408 K HA 0.569 4.889 4.320 0.000 0.000 0.261 408 K C -0.252 176.384 176.600 0.060 0.000 0.932 408 K CA -0.930 55.399 56.287 0.069 0.000 0.829 408 K CB 2.374 34.811 32.500 -0.106 0.000 1.358 408 K HN 0.611 nan 8.250 nan 0.000 0.430 409 V N 5.708 125.592 119.914 -0.050 0.000 2.508 409 V HA 0.071 4.191 4.120 0.000 0.000 0.281 409 V C 1.165 177.278 176.094 0.032 0.000 1.041 409 V CA -0.230 62.073 62.300 0.005 0.000 1.016 409 V CB 0.936 32.685 31.823 -0.124 0.000 0.984 409 V HN 0.697 nan 8.190 nan 0.000 0.478 410 I N 3.954 124.510 120.570 -0.023 0.000 2.927 410 I HA 0.199 4.369 4.170 0.000 0.000 0.268 410 I C 0.189 175.975 176.117 -0.551 0.000 1.153 410 I CA 0.917 62.035 61.300 -0.303 0.000 1.459 410 I CB -0.413 37.387 38.000 -0.334 0.000 1.149 410 I HN 0.481 nan 8.210 nan 0.000 0.443 411 Y N -0.191 120.135 120.300 0.044 0.000 2.534 411 Y HA 0.513 5.063 4.550 0.000 0.000 0.345 411 Y C -0.093 175.832 175.900 0.041 0.000 1.031 411 Y CA -1.012 57.102 58.100 0.024 0.000 1.022 411 Y CB 1.804 40.246 38.460 -0.030 0.000 1.292 411 Y HN -0.301 nan 8.280 nan 0.000 0.459 412 T N 4.018 118.717 114.554 0.241 0.000 2.841 412 T HA 0.654 5.004 4.350 0.000 0.000 0.285 412 T C -0.853 173.886 174.700 0.066 0.000 0.991 412 T CA -0.445 61.703 62.100 0.080 0.000 0.966 412 T CB 0.687 69.583 68.868 0.046 0.000 0.962 412 T HN 0.359 nan 8.240 nan 0.000 0.438 413 I N 3.294 123.867 120.570 0.004 0.000 2.418 413 I HA 0.494 4.664 4.170 0.000 0.000 0.287 413 I C -0.349 175.758 176.117 -0.017 0.000 1.008 413 I CA -0.828 60.467 61.300 -0.008 0.000 1.104 413 I CB 1.754 39.734 38.000 -0.033 0.000 1.264 413 I HN 0.317 nan 8.210 nan 0.000 0.438 414 K N 5.319 125.715 120.400 -0.007 0.000 2.450 414 K HA 0.375 4.695 4.320 0.000 0.000 0.257 414 K C -0.427 176.167 176.600 -0.009 0.000 0.953 414 K CA -0.255 56.028 56.287 -0.007 0.000 0.844 414 K CB 0.868 33.369 32.500 0.002 0.000 1.103 414 K HN 0.507 nan 8.250 nan 0.000 0.429 415 D N 3.883 124.276 120.400 -0.011 0.000 2.708 415 D HA -0.185 4.455 4.640 0.000 0.000 0.236 415 D C 0.697 176.987 176.300 -0.017 0.000 1.146 415 D CA 2.206 56.198 54.000 -0.013 0.000 0.662 415 D CB -0.950 39.844 40.800 -0.010 0.000 1.059 415 D HN 1.043 nan 8.370 nan 0.000 0.428 416 G N -0.227 108.559 108.800 -0.022 0.000 2.205 416 G HA2 -0.391 3.569 3.960 0.000 0.000 0.261 416 G HA3 -0.391 3.569 3.960 0.000 0.000 0.261 416 G C 0.357 175.239 174.900 -0.030 0.000 0.980 416 G CA 0.609 45.692 45.100 -0.029 0.000 0.632 416 G HN 0.613 nan 8.290 nan 0.000 0.533 417 K N 0.519 120.906 120.400 -0.022 0.000 2.185 417 K HA 0.641 4.961 4.320 0.000 0.000 0.269 417 K C 0.467 177.060 176.600 -0.013 0.000 0.987 417 K CA -1.000 55.276 56.287 -0.018 0.000 0.865 417 K CB 0.707 33.201 32.500 -0.010 0.000 1.090 417 K HN 0.185 nan 8.250 nan 0.000 0.450 418 M N 5.297 124.888 119.600 -0.015 0.000 2.219 418 M HA -0.009 4.471 4.480 0.000 0.000 0.353 418 M C 0.546 176.863 176.300 0.029 0.000 1.304 418 M CA 0.036 55.339 55.300 0.006 0.000 1.115 418 M CB 0.853 33.451 32.600 -0.003 0.000 1.664 418 M HN 0.643 nan 8.290 nan 0.000 0.459 419 V N 3.359 123.309 119.914 0.060 0.000 3.572 419 V HA 0.301 4.421 4.120 0.000 0.000 0.260 419 V C -0.400 175.776 176.094 0.137 0.000 1.324 419 V CA -0.101 62.243 62.300 0.073 0.000 1.068 419 V CB -0.190 31.667 31.823 0.057 0.000 0.837 419 V HN 0.831 nan 8.190 nan 0.000 0.450 420 Y N 1.491 121.797 120.300 0.010 0.000 2.433 420 Y HA 0.691 5.241 4.550 0.000 0.000 0.337 420 Y C -0.779 175.129 175.900 0.013 0.000 1.026 420 Y CA -1.210 56.884 58.100 -0.010 0.000 1.037 420 Y CB 1.826 40.258 38.460 -0.046 0.000 1.245 420 Y HN 0.151 nan 8.280 nan 0.000 0.443 421 K N 4.959 124.849 120.400 -0.850 0.000 2.443 421 K HA 0.309 4.630 4.320 0.000 0.000 0.252 421 K C -1.032 174.876 176.600 -1.153 0.000 0.933 421 K CA -0.697 55.136 56.287 -0.756 0.000 0.792 421 K CB 1.556 33.888 32.500 -0.279 0.000 1.185 421 K HN 0.873 nan 8.250 nan 0.000 0.425 422 D N 0.000 119.863 120.400 -0.895 0.000 6.856 422 D HA 0.000 4.640 4.640 0.000 0.000 0.175 422 D CA 0.000 53.673 54.000 -0.545 0.000 0.868 422 D CB 0.000 40.584 40.800 -0.360 0.000 0.688 422 D HN 0.000 nan 8.370 nan 0.000 0.683