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 1k2o_1_B DATA FIRST_RESID 9 DATA SEQUENCE ANLAPLPPHV PEHLVFDFDM YNPSNLSAGV QEAWAVLQES NVPDLVWTRC DATA SEQUENCE NGGHWIATRG QLIREAYEDY RHFSSECPFI PREAGEAYDF IPTSMDPPEQ DATA SEQUENCE RQFRALANQV VGMPVVDKLE NRIQELACSL IESLRPQGQC NFTEDYAEPF DATA SEQUENCE PIRIFMLLAG LPEEDIPHLK YLTDQMTRPD GSMTFAEAKE ALYDYLIPII DATA SEQUENCE EQRRQKPGTD AISIVANGQV NGRPITSDEA KRMCGLLLVG GLDTVVNFLS DATA SEQUENCE FSMEFLAKSP EHRQELIERP ERIPAACEEL LRRFSLVADG RILTSDYEFH DATA SEQUENCE GVQLKKGDQI LLPQMLSGLD ERENAAPMHV DFSRQKVSHT TFGHGSHLCL DATA SEQUENCE GQHLARREII VTLKEWLTRI PDFSIAPGAQ IQHKSGIVSG VQALPLVWDP DATA SEQUENCE ATTKAV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.568 177.584 -0.027 0.000 1.274 9 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 9 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 10 N N 0.079 118.766 118.700 -0.022 0.000 2.411 10 N HA -0.104 4.634 4.740 -0.003 0.000 0.286 10 N C -0.733 174.769 175.510 -0.014 0.000 1.382 10 N CA 1.097 54.139 53.050 -0.014 0.000 0.630 10 N CB -1.229 37.252 38.487 -0.009 0.000 0.904 10 N HN 0.620 nan 8.380 nan 0.000 0.516 11 L N 0.646 121.862 121.223 -0.012 0.000 2.305 11 L HA 0.612 4.950 4.340 -0.003 0.000 0.281 11 L C 1.189 178.068 176.870 0.015 0.000 1.085 11 L CA -0.758 54.078 54.840 -0.008 0.000 0.813 11 L CB 1.101 43.154 42.059 -0.010 0.000 1.157 11 L HN 0.546 nan 8.230 nan 0.000 0.436 12 A N 5.567 128.406 122.820 0.032 0.000 2.362 12 A HA 0.503 4.822 4.320 -0.003 0.000 0.276 12 A C -2.110 175.525 177.584 0.086 0.000 1.153 12 A CA -1.403 50.672 52.037 0.064 0.000 0.813 12 A CB -0.318 18.735 19.000 0.089 0.000 1.081 12 A HN 0.498 nan 8.150 nan 0.000 0.507 13 P HA -0.046 nan 4.420 nan 0.000 0.258 13 P C -0.167 177.160 177.300 0.045 0.000 1.172 13 P CA -0.047 63.078 63.100 0.043 0.000 0.762 13 P CB 0.208 31.926 31.700 0.029 0.000 0.764 14 L N 7.550 128.779 121.223 0.010 0.000 2.660 14 L HA 0.071 4.410 4.340 -0.003 0.000 0.272 14 L C -1.982 174.788 176.870 -0.166 0.000 1.194 14 L CA -0.972 53.815 54.840 -0.089 0.000 0.945 14 L CB -1.100 40.887 42.059 -0.120 0.000 1.212 14 L HN 0.291 nan 8.230 nan 0.000 0.490 15 P HA 0.079 nan 4.420 nan 0.000 0.266 15 P C -2.047 175.141 177.300 -0.187 0.000 1.195 15 P CA -0.803 62.185 63.100 -0.188 0.000 0.768 15 P CB 0.186 31.731 31.700 -0.258 0.000 0.838 16 P HA -0.225 nan 4.420 nan 0.000 0.217 16 P C 1.047 178.347 177.300 0.000 0.000 1.151 16 P CA 1.633 64.726 63.100 -0.012 0.000 0.849 16 P CB -0.394 31.325 31.700 0.031 0.000 0.787 17 H N -3.142 115.866 119.070 -0.103 0.000 2.548 17 H HA 0.205 4.759 4.556 -0.003 0.000 0.268 17 H C 0.023 175.310 175.328 -0.068 0.000 0.975 17 H CA -0.182 55.832 56.048 -0.057 0.000 1.195 17 H CB -0.574 29.184 29.762 -0.007 0.000 1.397 17 H HN -0.136 nan 8.280 nan 0.000 0.572 18 V N 3.042 122.563 119.914 -0.656 0.000 2.383 18 V HA 0.231 4.350 4.120 -0.003 0.000 0.275 18 V C -2.075 173.830 176.094 -0.315 0.000 1.036 18 V CA -2.045 59.889 62.300 -0.611 0.000 0.889 18 V CB 1.173 32.273 31.823 -1.205 0.000 0.985 18 V HN 0.247 nan 8.190 nan 0.000 0.459 19 P HA 0.185 nan 4.420 nan 0.000 0.271 19 P C 0.702 177.946 177.300 -0.092 0.000 1.216 19 P CA -0.140 62.929 63.100 -0.051 0.000 0.771 19 P CB 0.734 32.451 31.700 0.028 0.000 0.864 20 E N 1.292 121.487 120.200 -0.008 0.000 2.204 20 E HA -0.234 4.114 4.350 -0.003 0.000 0.195 20 E C 1.569 178.197 176.600 0.046 0.000 0.990 20 E CA 0.822 57.223 56.400 0.002 0.000 0.821 20 E CB -0.257 29.457 29.700 0.024 0.000 0.750 20 E HN 0.668 nan 8.360 nan 0.000 0.477 21 H N 0.109 119.196 119.070 0.029 0.000 2.546 21 H HA 0.007 4.561 4.556 -0.003 0.000 0.277 21 H C 1.551 176.930 175.328 0.085 0.000 1.004 21 H CA 0.603 56.681 56.048 0.050 0.000 1.231 21 H CB -0.047 29.738 29.762 0.039 0.000 1.382 21 H HN 0.192 nan 8.280 nan 0.000 0.580 22 L N 1.421 122.432 121.223 -0.354 0.000 2.607 22 L HA 0.177 4.516 4.340 -0.003 0.000 0.228 22 L C 0.200 177.105 176.870 0.059 0.000 1.123 22 L CA -0.260 54.480 54.840 -0.168 0.000 0.890 22 L CB 0.696 42.671 42.059 -0.140 0.000 1.103 22 L HN -0.018 nan 8.230 nan 0.000 0.468 23 V N 0.746 120.698 119.914 0.063 0.000 2.508 23 V HA 0.043 4.161 4.120 -0.003 0.000 0.281 23 V C -0.567 175.636 176.094 0.182 0.000 1.041 23 V CA 0.247 62.624 62.300 0.128 0.000 1.016 23 V CB 0.853 32.722 31.823 0.077 0.000 0.984 23 V HN 0.085 nan 8.190 nan 0.000 0.478 24 F N 3.814 123.767 119.950 0.005 0.000 3.034 24 F HA 0.388 4.914 4.527 -0.003 0.000 0.371 24 F C -0.136 175.644 175.800 -0.033 0.000 1.233 24 F CA -0.848 57.146 58.000 -0.010 0.000 1.134 24 F CB 1.104 40.094 39.000 -0.015 0.000 1.495 24 F HN 0.498 nan 8.300 nan 0.000 0.563 25 D N 6.303 126.568 120.400 -0.224 0.000 2.348 25 D HA 0.070 4.709 4.640 -0.003 0.000 0.259 25 D C -0.804 175.432 176.300 -0.108 0.000 1.296 25 D CA 0.751 54.654 54.000 -0.162 0.000 0.931 25 D CB 0.582 41.281 40.800 -0.168 0.000 1.067 25 D HN 0.311 nan 8.370 nan 0.000 0.503 26 F N 2.153 121.997 119.950 -0.176 0.000 2.507 26 F HA 0.219 4.745 4.527 -0.003 0.000 0.325 26 F C -0.665 175.012 175.800 -0.205 0.000 1.116 26 F CA -1.092 56.811 58.000 -0.162 0.000 0.930 26 F CB 1.718 40.675 39.000 -0.072 0.000 1.146 26 F HN -0.062 nan 8.300 nan 0.000 0.447 27 D N 6.863 126.789 120.400 -0.790 0.000 2.427 27 D HA 0.161 4.800 4.640 -0.003 0.000 0.226 27 D C 0.916 176.688 176.300 -0.880 0.000 1.076 27 D CA -0.453 53.215 54.000 -0.554 0.000 0.849 27 D CB 1.131 41.733 40.800 -0.330 0.000 1.052 27 D HN 0.742 nan 8.370 nan 0.000 0.515 28 M N 1.967 121.198 119.600 -0.616 0.000 2.460 28 M HA -0.076 4.402 4.480 -0.003 0.000 0.263 28 M C 0.263 176.300 176.300 -0.437 0.000 1.071 28 M CA 1.190 56.149 55.300 -0.569 0.000 1.096 28 M CB -0.207 32.242 32.600 -0.252 0.000 1.408 28 M HN 0.232 nan 8.290 nan 0.000 0.463 29 Y N 0.680 120.942 120.300 -0.065 0.000 2.482 29 Y HA 0.267 4.815 4.550 -0.003 0.000 0.270 29 Y C 0.543 176.423 175.900 -0.033 0.000 1.152 29 Y CA 0.022 58.126 58.100 0.006 0.000 1.292 29 Y CB 0.386 38.854 38.460 0.012 0.000 1.070 29 Y HN 0.466 nan 8.280 nan 0.000 0.528 30 N N 0.754 119.424 118.700 -0.049 0.000 2.926 30 N HA 0.085 4.823 4.740 -0.003 0.000 0.201 30 N C -3.240 172.137 175.510 -0.222 0.000 1.419 30 N CA -0.946 52.062 53.050 -0.070 0.000 0.838 30 N CB 0.851 39.325 38.487 -0.021 0.000 1.534 30 N HN -0.174 nan 8.380 nan 0.000 0.569 31 P HA 0.099 nan 4.420 nan 0.000 0.275 31 P C 0.078 177.255 177.300 -0.205 0.000 1.228 31 P CA 0.045 62.846 63.100 -0.497 0.000 0.786 31 P CB 1.191 32.515 31.700 -0.627 0.000 0.927 32 S N 1.287 116.886 115.700 -0.169 0.000 2.584 32 S HA 0.076 4.544 4.470 -0.003 0.000 0.270 32 S C 0.602 175.200 174.600 -0.004 0.000 1.346 32 S CA -0.064 58.096 58.200 -0.067 0.000 1.018 32 S CB -0.606 62.559 63.200 -0.058 0.000 0.899 32 S HN 0.647 nan 8.310 nan 0.000 0.542 33 N N -1.271 117.439 118.700 0.016 0.000 2.800 33 N HA -0.168 4.570 4.740 -0.003 0.000 0.250 33 N C 0.429 175.981 175.510 0.071 0.000 1.078 33 N CA 0.632 53.709 53.050 0.046 0.000 0.804 33 N CB -1.277 37.250 38.487 0.065 0.000 1.135 33 N HN 0.529 nan 8.380 nan 0.000 0.565 34 L N 1.447 122.710 121.223 0.066 0.000 2.187 34 L HA -0.117 4.222 4.340 -0.003 0.000 0.213 34 L C 2.273 179.201 176.870 0.096 0.000 1.100 34 L CA 2.447 57.353 54.840 0.111 0.000 0.765 34 L CB -0.523 41.596 42.059 0.100 0.000 0.904 34 L HN 0.415 nan 8.230 nan 0.000 0.437 35 S N -1.107 114.626 115.700 0.054 0.000 2.474 35 S HA -0.024 4.445 4.470 -0.003 0.000 0.235 35 S C 1.851 176.458 174.600 0.012 0.000 0.997 35 S CA 0.625 58.839 58.200 0.023 0.000 0.949 35 S CB -0.717 62.493 63.200 0.017 0.000 0.766 35 S HN 0.489 nan 8.310 nan 0.000 0.517 36 A N 0.991 123.838 122.820 0.045 0.000 2.251 36 A HA 0.607 4.925 4.320 -0.003 0.000 0.209 36 A C 1.097 178.729 177.584 0.080 0.000 1.187 36 A CA 0.225 52.294 52.037 0.053 0.000 0.823 36 A CB -0.600 18.439 19.000 0.066 0.000 0.846 36 A HN 1.471 nan 8.150 nan 0.000 0.486 37 G N -2.044 106.818 108.800 0.103 0.000 2.931 37 G HA2 0.120 4.079 3.960 -0.003 0.000 0.675 37 G HA3 0.120 4.079 3.960 -0.003 0.000 0.675 37 G C 0.357 175.476 174.900 0.366 0.000 1.339 37 G CA -0.167 45.075 45.100 0.237 0.000 0.866 37 G HN 0.824 nan 8.290 nan 0.000 0.616 38 V N 1.827 122.093 119.914 0.587 0.000 2.295 38 V HA -0.184 3.935 4.120 -0.003 0.000 0.246 38 V C 2.685 179.014 176.094 0.391 0.000 1.049 38 V CA 3.351 65.927 62.300 0.461 0.000 1.024 38 V CB -0.310 31.768 31.823 0.425 0.000 0.648 38 V HN 0.820 nan 8.190 nan 0.000 0.447 39 Q N -0.107 119.803 119.800 0.182 0.000 2.124 39 Q HA -0.208 4.131 4.340 -0.003 0.000 0.202 39 Q C 2.086 178.186 176.000 0.167 0.000 0.977 39 Q CA 2.158 58.007 55.803 0.076 0.000 0.850 39 Q CB -0.272 28.411 28.738 -0.091 0.000 0.901 39 Q HN 0.717 nan 8.270 nan 0.000 0.429 40 E N -0.014 120.290 120.200 0.174 0.000 2.106 40 E HA -0.099 4.249 4.350 -0.003 0.000 0.192 40 E C 1.785 178.500 176.600 0.191 0.000 0.984 40 E CA 1.118 57.607 56.400 0.149 0.000 0.806 40 E CB -0.270 29.508 29.700 0.130 0.000 0.750 40 E HN 0.402 nan 8.360 nan 0.000 0.458 41 A N -0.176 122.799 122.820 0.259 0.000 1.930 41 A HA -0.150 4.168 4.320 -0.003 0.000 0.217 41 A C 1.655 179.427 177.584 0.313 0.000 1.175 41 A CA 1.101 53.292 52.037 0.256 0.000 0.627 41 A CB -0.842 18.306 19.000 0.247 0.000 0.815 41 A HN 0.352 nan 8.150 nan 0.000 0.443 42 W N -0.367 121.046 121.300 0.189 0.000 2.436 42 W HA 0.163 4.821 4.660 -0.002 0.000 0.284 42 W C 2.570 179.056 176.519 -0.055 0.000 1.225 42 W CA 0.900 58.303 57.345 0.097 0.000 1.271 42 W CB -0.233 29.253 29.460 0.043 0.000 1.114 42 W HN 0.347 nan 8.180 nan 0.000 0.559 43 A N -0.076 122.860 122.820 0.195 0.000 2.178 43 A HA -0.126 4.192 4.320 -0.003 0.000 0.218 43 A C 2.006 179.605 177.584 0.024 0.000 1.157 43 A CA 1.498 53.578 52.037 0.070 0.000 0.689 43 A CB -0.935 18.099 19.000 0.057 0.000 0.787 43 A HN 0.161 nan 8.150 nan 0.000 0.465 44 V N -0.199 119.750 119.914 0.059 0.000 2.594 44 V HA -0.190 3.928 4.120 -0.003 0.000 0.253 44 V C 2.100 178.160 176.094 -0.058 0.000 1.069 44 V CA 2.013 64.357 62.300 0.073 0.000 1.082 44 V CB -0.412 31.532 31.823 0.202 0.000 0.680 44 V HN 0.627 nan 8.190 nan 0.000 0.469 45 L N -0.469 120.626 121.223 -0.214 0.000 2.465 45 L HA -0.059 4.279 4.340 -0.003 0.000 0.224 45 L C 2.051 178.722 176.870 -0.331 0.000 1.145 45 L CA 1.026 55.589 54.840 -0.462 0.000 0.834 45 L CB -0.311 41.448 42.059 -0.499 0.000 0.944 45 L HN 0.419 nan 8.230 nan 0.000 0.451 46 Q N -0.561 119.129 119.800 -0.183 0.000 2.172 46 Q HA 0.154 4.492 4.340 -0.003 0.000 0.217 46 Q C -0.179 175.766 176.000 -0.091 0.000 0.832 46 Q CA -0.163 55.562 55.803 -0.131 0.000 1.010 46 Q CB 0.639 29.324 28.738 -0.088 0.000 1.133 46 Q HN 0.449 nan 8.270 nan 0.000 0.489 47 E N 0.854 121.001 120.200 -0.087 0.000 2.390 47 E HA -0.004 4.344 4.350 -0.003 0.000 0.261 47 E C 0.898 177.472 176.600 -0.043 0.000 1.076 47 E CA 0.180 56.558 56.400 -0.037 0.000 0.905 47 E CB 0.905 30.610 29.700 0.007 0.000 0.984 47 E HN 0.193 nan 8.360 nan 0.000 0.427 48 S N 2.445 118.133 115.700 -0.020 0.000 2.423 48 S HA -0.238 4.230 4.470 -0.003 0.000 0.238 48 S C 1.071 175.665 174.600 -0.010 0.000 1.028 48 S CA 1.590 59.780 58.200 -0.017 0.000 1.000 48 S CB -0.386 62.810 63.200 -0.006 0.000 0.797 48 S HN 0.642 nan 8.310 nan 0.000 0.487 49 N N 1.114 119.818 118.700 0.006 0.000 2.461 49 N HA 0.063 4.801 4.740 -0.003 0.000 0.188 49 N C -0.287 175.234 175.510 0.020 0.000 1.134 49 N CA 0.125 53.193 53.050 0.030 0.000 0.878 49 N CB 0.056 38.582 38.487 0.066 0.000 0.972 49 N HN 0.338 nan 8.380 nan 0.000 0.456 50 V N 1.946 121.825 119.914 -0.058 0.000 2.435 50 V HA 0.365 4.484 4.120 -0.003 0.000 0.290 50 V C -2.064 173.957 176.094 -0.122 0.000 1.030 50 V CA -1.640 60.565 62.300 -0.158 0.000 0.881 50 V CB 1.510 33.089 31.823 -0.407 0.000 0.983 50 V HN -0.031 nan 8.190 nan 0.000 0.445 51 P HA 0.236 nan 4.420 nan 0.000 0.272 51 P C 0.196 177.441 177.300 -0.091 0.000 1.240 51 P CA -0.349 62.723 63.100 -0.047 0.000 0.791 51 P CB 0.675 32.380 31.700 0.007 0.000 0.978 52 D N -0.387 119.962 120.400 -0.084 0.000 2.178 52 D HA -0.049 4.589 4.640 -0.003 0.000 0.201 52 D C 0.365 176.599 176.300 -0.110 0.000 0.980 52 D CA 1.442 55.366 54.000 -0.126 0.000 0.842 52 D CB -0.141 40.555 40.800 -0.173 0.000 0.948 52 D HN 0.062 nan 8.370 nan 0.000 0.472 53 L N 0.600 121.795 121.223 -0.047 0.000 2.406 53 L HA 0.371 4.709 4.340 -0.003 0.000 0.272 53 L C -0.763 176.213 176.870 0.177 0.000 0.980 53 L CA -0.936 53.935 54.840 0.051 0.000 0.831 53 L CB 1.844 43.915 42.059 0.020 0.000 1.253 53 L HN -0.140 nan 8.230 nan 0.000 0.406 54 V N 1.627 121.682 119.914 0.235 0.000 3.113 54 V HA 0.687 4.806 4.120 -0.003 0.000 0.316 54 V C -1.348 174.965 176.094 0.366 0.000 1.125 54 V CA -0.770 61.690 62.300 0.266 0.000 1.026 54 V CB 2.098 33.981 31.823 0.099 0.000 1.080 54 V HN 0.929 nan 8.190 nan 0.000 0.444 55 W N 1.807 123.087 121.300 -0.033 0.000 2.532 55 W HA 0.660 5.318 4.660 -0.003 0.000 0.321 55 W C -1.022 175.355 176.519 -0.236 0.000 1.037 55 W CA -0.245 56.894 57.345 -0.343 0.000 1.220 55 W CB 1.941 30.969 29.460 -0.721 0.000 1.361 55 W HN 0.871 nan 8.180 nan 0.000 0.468 56 T N 5.274 119.307 114.554 -0.867 0.000 2.824 56 T HA 0.388 4.737 4.350 -0.003 0.000 0.280 56 T C 0.873 175.101 174.700 -0.788 0.000 0.995 56 T CA -0.430 61.300 62.100 -0.617 0.000 1.009 56 T CB 1.139 69.699 68.868 -0.514 0.000 0.955 56 T HN 0.626 nan 8.240 nan 0.000 0.452 57 R N 2.026 122.343 120.500 -0.305 0.000 2.310 57 R HA 0.213 4.551 4.340 -0.003 0.000 0.202 57 R C 0.424 176.645 176.300 -0.132 0.000 0.933 57 R CA -0.192 55.832 56.100 -0.126 0.000 1.054 57 R CB -0.248 30.069 30.300 0.028 0.000 0.985 57 R HN 0.546 nan 8.270 nan 0.000 0.489 58 C N 1.159 120.346 119.300 -0.188 0.000 2.520 58 C HA 0.162 4.620 4.460 -0.003 0.000 0.376 58 C C 0.703 175.669 174.990 -0.040 0.000 1.268 58 C CA -0.673 58.284 59.018 -0.102 0.000 2.414 58 C CB 0.170 27.844 27.740 -0.110 0.000 2.521 58 C HN 0.671 nan 8.230 nan 0.000 0.618 59 N N 0.697 119.421 118.700 0.039 0.000 2.714 59 N HA -0.127 4.611 4.740 -0.003 0.000 0.253 59 N C 0.804 176.374 175.510 0.101 0.000 1.024 59 N CA 0.719 53.836 53.050 0.110 0.000 0.726 59 N CB -1.187 37.444 38.487 0.240 0.000 0.908 59 N HN 1.415 nan 8.380 nan 0.000 0.542 60 G N -1.444 107.388 108.800 0.053 0.000 2.245 60 G HA2 0.004 3.962 3.960 -0.003 0.000 0.264 60 G HA3 0.004 3.962 3.960 -0.003 0.000 0.264 60 G C 0.612 175.547 174.900 0.059 0.000 0.985 60 G CA 0.485 45.623 45.100 0.063 0.000 0.625 60 G HN 1.717 nan 8.290 nan 0.000 0.536 61 G N -0.914 107.851 108.800 -0.058 0.000 3.172 61 G HA2 0.546 4.504 3.960 -0.003 0.000 0.686 61 G HA3 0.546 4.504 3.960 -0.003 0.000 0.686 61 G C -0.462 174.025 174.900 -0.687 0.000 1.009 61 G CA 0.682 45.566 45.100 -0.360 0.000 0.787 61 G HN 2.902 nan 8.290 nan 0.000 0.559 62 H N -1.597 116.524 119.070 -1.580 0.000 2.950 62 H HA 0.657 5.211 4.556 -0.003 0.000 0.307 62 H C -0.639 174.038 175.328 -1.085 0.000 1.403 62 H CA -1.593 53.746 56.048 -1.180 0.000 1.145 62 H CB 0.092 29.632 29.762 -0.369 0.000 1.844 62 H HN 0.676 nan 8.280 nan 0.000 0.515 63 W N 0.646 121.895 121.300 -0.084 0.000 2.183 63 W HA 0.639 5.298 4.660 -0.002 0.000 0.348 63 W C -0.280 176.308 176.519 0.116 0.000 1.257 63 W CA -0.591 56.814 57.345 0.101 0.000 1.324 63 W CB 0.886 30.510 29.460 0.273 0.000 1.144 63 W HN 0.443 nan 8.180 nan 0.000 0.622 64 I N 2.491 123.271 120.570 0.350 0.000 2.529 64 I HA 0.292 4.461 4.170 -0.003 0.000 0.284 64 I C -0.424 175.758 176.117 0.108 0.000 1.088 64 I CA -1.071 60.337 61.300 0.180 0.000 1.062 64 I CB 1.281 39.311 38.000 0.050 0.000 1.218 64 I HN 0.450 nan 8.210 nan 0.000 0.442 65 A N 3.494 126.348 122.820 0.056 0.000 2.347 65 A HA 0.447 4.765 4.320 -0.003 0.000 0.287 65 A C 1.093 178.644 177.584 -0.054 0.000 1.199 65 A CA -0.034 51.995 52.037 -0.014 0.000 0.851 65 A CB 0.087 19.053 19.000 -0.056 0.000 1.118 65 A HN 0.848 nan 8.150 nan 0.000 0.525 66 T N 0.067 114.564 114.554 -0.095 0.000 3.044 66 T HA 0.192 4.540 4.350 -0.003 0.000 0.250 66 T C 0.681 175.311 174.700 -0.115 0.000 1.081 66 T CA 0.061 62.085 62.100 -0.126 0.000 1.040 66 T CB 0.068 68.821 68.868 -0.192 0.000 0.962 66 T HN 0.505 nan 8.240 nan 0.000 0.506 67 R N 0.329 120.758 120.500 -0.119 0.000 2.711 67 R HA 0.597 4.935 4.340 -0.003 0.000 0.284 67 R C 1.561 177.798 176.300 -0.105 0.000 0.968 67 R CA -0.353 55.679 56.100 -0.114 0.000 0.924 67 R CB 1.041 31.264 30.300 -0.129 0.000 1.162 67 R HN 0.219 nan 8.270 nan 0.000 0.465 68 G N 0.953 109.699 108.800 -0.089 0.000 2.469 68 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.220 68 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.220 68 G C 1.064 175.909 174.900 -0.091 0.000 1.136 68 G CA 0.666 45.715 45.100 -0.086 0.000 0.759 68 G HN 0.615 nan 8.290 nan 0.000 0.562 69 Q N -0.676 119.072 119.800 -0.088 0.000 2.084 69 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 69 Q C 2.544 178.507 176.000 -0.062 0.000 0.978 69 Q CA 1.109 56.873 55.803 -0.064 0.000 0.844 69 Q CB -0.133 28.576 28.738 -0.049 0.000 0.898 69 Q HN 0.427 nan 8.270 nan 0.000 0.426 70 L N 0.209 121.341 121.223 -0.152 0.000 2.072 70 L HA -0.144 4.194 4.340 -0.003 0.000 0.205 70 L C 2.174 179.033 176.870 -0.018 0.000 1.079 70 L CA 1.231 55.992 54.840 -0.133 0.000 0.752 70 L CB -0.425 41.447 42.059 -0.311 0.000 0.906 70 L HN 0.259 nan 8.230 nan 0.000 0.436 71 I N -0.837 119.684 120.570 -0.083 0.000 2.163 71 I HA -0.329 3.839 4.170 -0.003 0.000 0.243 71 I C 2.654 178.752 176.117 -0.032 0.000 1.085 71 I CA 1.308 62.544 61.300 -0.106 0.000 1.347 71 I CB -0.297 37.683 38.000 -0.034 0.000 1.044 71 I HN 0.211 nan 8.210 nan 0.000 0.408 72 R N 0.614 121.096 120.500 -0.030 0.000 2.066 72 R HA -0.150 4.189 4.340 -0.003 0.000 0.232 72 R C 2.238 178.641 176.300 0.171 0.000 1.131 72 R CA 1.408 57.475 56.100 -0.055 0.000 0.955 72 R CB -0.330 29.785 30.300 -0.308 0.000 0.851 72 R HN 0.416 nan 8.270 nan 0.000 0.432 73 E N 0.529 120.816 120.200 0.146 0.000 2.085 73 E HA -0.220 4.128 4.350 -0.003 0.000 0.194 73 E C 2.068 178.771 176.600 0.172 0.000 0.994 73 E CA 1.325 57.869 56.400 0.241 0.000 0.801 73 E CB -0.144 29.783 29.700 0.378 0.000 0.743 73 E HN 0.383 nan 8.360 nan 0.000 0.453 74 A N 0.545 123.317 122.820 -0.082 0.000 1.902 74 A HA -0.179 4.139 4.320 -0.003 0.000 0.217 74 A C 1.810 179.238 177.584 -0.260 0.000 1.181 74 A CA 1.199 52.868 52.037 -0.613 0.000 0.623 74 A CB -0.697 17.495 19.000 -1.346 0.000 0.818 74 A HN 0.252 nan 8.150 nan 0.000 0.443 75 Y N 0.476 120.773 120.300 -0.005 0.000 2.421 75 Y HA -0.085 4.463 4.550 -0.003 0.000 0.292 75 Y C 2.284 178.299 175.900 0.192 0.000 1.136 75 Y CA 1.283 59.456 58.100 0.123 0.000 1.255 75 Y CB -0.275 38.300 38.460 0.191 0.000 0.991 75 Y HN 0.493 nan 8.280 nan 0.000 0.552 76 E N -0.839 119.564 120.200 0.338 0.000 2.230 76 E HA -0.108 4.240 4.350 -0.003 0.000 0.192 76 E C 0.243 176.940 176.600 0.162 0.000 0.987 76 E CA 0.736 57.282 56.400 0.242 0.000 0.841 76 E CB 0.100 29.936 29.700 0.227 0.000 0.783 76 E HN 0.176 nan 8.360 nan 0.000 0.481 77 D N 0.130 120.634 120.400 0.174 0.000 2.518 77 D HA -0.004 4.634 4.640 -0.003 0.000 0.230 77 D C 0.319 176.695 176.300 0.125 0.000 1.138 77 D CA -0.544 53.502 54.000 0.077 0.000 0.964 77 D CB -0.016 40.914 40.800 0.217 0.000 1.011 77 D HN 0.117 nan 8.370 nan 0.000 0.517 78 Y N 1.202 121.592 120.300 0.150 0.000 2.561 78 Y HA 0.198 4.745 4.550 -0.005 0.000 0.291 78 Y C 1.826 177.737 175.900 0.020 0.000 1.141 78 Y CA 0.146 58.325 58.100 0.131 0.000 1.303 78 Y CB -0.359 38.184 38.460 0.139 0.000 1.015 78 Y HN 0.105 nan 8.280 nan 0.000 0.547 79 R N -0.238 120.121 120.500 -0.236 0.000 2.090 79 R HA -0.079 4.260 4.340 -0.003 0.000 0.228 79 R C 1.302 177.349 176.300 -0.422 0.000 1.110 79 R CA 1.858 57.782 56.100 -0.292 0.000 0.973 79 R CB -0.328 29.687 30.300 -0.473 0.000 0.869 79 R HN 0.556 nan 8.270 nan 0.000 0.440 80 H N -2.272 116.551 119.070 -0.412 0.000 2.582 80 H HA 0.117 4.671 4.556 -0.002 0.000 0.269 80 H C -0.395 174.423 175.328 -0.850 0.000 0.962 80 H CA 0.284 55.864 56.048 -0.779 0.000 1.230 80 H CB 0.530 29.447 29.762 -1.407 0.000 1.445 80 H HN -0.040 nan 8.280 nan 0.000 0.528 81 F N 0.762 120.686 119.950 -0.043 0.000 2.443 81 F HA 0.297 4.822 4.527 -0.004 0.000 0.369 81 F C 0.150 175.980 175.800 0.050 0.000 1.090 81 F CA -0.794 57.191 58.000 -0.025 0.000 1.129 81 F CB 1.302 40.244 39.000 -0.097 0.000 1.367 81 F HN -0.130 nan 8.300 nan 0.000 0.465 82 S N 0.847 116.647 115.700 0.166 0.000 2.580 82 S HA 0.267 4.735 4.470 -0.003 0.000 0.274 82 S C 0.939 175.616 174.600 0.128 0.000 1.329 82 S CA -0.427 57.863 58.200 0.150 0.000 1.036 82 S CB 0.872 64.131 63.200 0.097 0.000 0.919 82 S HN 0.516 nan 8.310 nan 0.000 0.515 83 S N 3.126 118.886 115.700 0.101 0.000 2.614 83 S HA 0.098 4.566 4.470 -0.003 0.000 0.230 83 S C 1.481 176.101 174.600 0.033 0.000 0.952 83 S CA -0.460 57.740 58.200 -0.001 0.000 0.949 83 S CB -0.017 63.058 63.200 -0.209 0.000 0.786 83 S HN 0.786 nan 8.310 nan 0.000 0.478 84 E N 1.044 121.287 120.200 0.072 0.000 2.114 84 E HA -0.212 4.137 4.350 -0.003 0.000 0.199 84 E C 0.251 176.905 176.600 0.090 0.000 1.008 84 E CA 0.907 57.355 56.400 0.081 0.000 0.810 84 E CB 0.024 29.769 29.700 0.075 0.000 0.739 84 E HN 0.481 nan 8.360 nan 0.000 0.456 85 C N 1.147 120.498 119.300 0.084 0.000 3.102 85 C HA 0.307 4.765 4.460 -0.003 0.000 0.363 85 C C -2.028 173.012 174.990 0.085 0.000 1.048 85 C CA -1.158 57.928 59.018 0.114 0.000 1.330 85 C CB 1.120 28.925 27.740 0.108 0.000 1.771 85 C HN 0.150 nan 8.230 nan 0.000 0.526 86 P HA 0.016 nan 4.420 nan 0.000 0.234 86 P C 0.265 177.461 177.300 -0.173 0.000 1.167 86 P CA 0.556 63.591 63.100 -0.108 0.000 0.763 86 P CB -0.049 31.515 31.700 -0.226 0.000 0.835 87 F N 1.118 120.998 119.950 -0.118 0.000 2.467 87 F HA 0.228 4.753 4.527 -0.003 0.000 0.362 87 F C 1.245 177.006 175.800 -0.065 0.000 1.090 87 F CA 0.030 57.968 58.000 -0.105 0.000 1.202 87 F CB 0.234 39.136 39.000 -0.163 0.000 1.113 87 F HN -0.243 nan 8.300 nan 0.000 0.541 88 I N 6.198 126.820 120.570 0.086 0.000 2.439 88 I HA 0.275 4.443 4.170 -0.003 0.000 0.285 88 I C -2.175 173.990 176.117 0.080 0.000 1.021 88 I CA -2.133 59.155 61.300 -0.019 0.000 1.091 88 I CB 1.898 39.749 38.000 -0.249 0.000 1.242 88 I HN 0.352 nan 8.210 nan 0.000 0.439 89 P HA 0.166 nan 4.420 nan 0.000 0.274 89 P C 0.455 177.790 177.300 0.059 0.000 1.256 89 P CA -0.435 62.696 63.100 0.052 0.000 0.795 89 P CB 1.264 32.996 31.700 0.054 0.000 1.038 90 R N 0.505 121.029 120.500 0.041 0.000 2.103 90 R HA -0.204 4.134 4.340 -0.003 0.000 0.242 90 R C 1.765 178.033 176.300 -0.053 0.000 1.142 90 R CA 1.976 58.089 56.100 0.020 0.000 0.960 90 R CB -0.423 29.888 30.300 0.019 0.000 0.858 90 R HN 0.404 nan 8.270 nan 0.000 0.439 91 E N 0.054 120.219 120.200 -0.059 0.000 2.331 91 E HA -0.140 4.209 4.350 -0.003 0.000 0.199 91 E C 1.593 178.087 176.600 -0.177 0.000 1.008 91 E CA 1.113 57.447 56.400 -0.110 0.000 0.843 91 E CB -0.145 29.508 29.700 -0.079 0.000 0.761 91 E HN 0.482 nan 8.360 nan 0.000 0.507 92 A N 0.282 123.020 122.820 -0.137 0.000 2.067 92 A HA 0.013 4.332 4.320 -0.003 0.000 0.219 92 A C 2.231 179.571 177.584 -0.408 0.000 1.158 92 A CA 1.449 53.393 52.037 -0.155 0.000 0.661 92 A CB -0.499 18.541 19.000 0.067 0.000 0.801 92 A HN 0.343 nan 8.150 nan 0.000 0.452 93 G N -1.780 106.612 108.800 -0.680 0.000 2.986 93 G HA2 0.318 4.276 3.960 -0.003 0.000 0.213 93 G HA3 0.318 4.276 3.960 -0.003 0.000 0.213 93 G C 0.528 174.872 174.900 -0.927 0.000 1.156 93 G CA 0.660 44.879 45.100 -1.469 0.000 0.763 93 G HN 0.546 nan 8.290 nan 0.000 0.547 94 E N -0.524 119.343 120.200 -0.556 0.000 3.422 94 E HA -0.375 3.974 4.350 -0.003 0.000 0.426 94 E C 1.434 177.872 176.600 -0.272 0.000 1.588 94 E CA 1.226 57.400 56.400 -0.378 0.000 1.437 94 E CB -1.250 28.201 29.700 -0.413 0.000 1.496 94 E HN 0.458 nan 8.360 nan 0.000 0.445 95 A N 0.614 123.323 122.820 -0.186 0.000 2.532 95 A HA 0.176 4.494 4.320 -0.003 0.000 0.273 95 A C -0.258 177.354 177.584 0.046 0.000 1.342 95 A CA -0.103 51.926 52.037 -0.013 0.000 0.929 95 A CB -0.349 18.703 19.000 0.087 0.000 1.051 95 A HN 0.381 nan 8.150 nan 0.000 0.521 96 Y N 2.076 122.191 120.300 -0.309 0.000 2.717 96 Y HA 0.182 4.730 4.550 -0.003 0.000 0.330 96 Y C 0.446 176.256 175.900 -0.151 0.000 1.217 96 Y CA 0.689 58.620 58.100 -0.281 0.000 1.506 96 Y CB 0.693 38.820 38.460 -0.554 0.000 1.268 96 Y HN 0.507 nan 8.280 nan 0.000 0.561 97 D N 3.573 123.692 120.400 -0.468 0.000 2.651 97 D HA 0.043 4.681 4.640 -0.003 0.000 0.280 97 D C -0.768 175.432 176.300 -0.166 0.000 1.496 97 D CA -0.377 53.517 54.000 -0.178 0.000 0.792 97 D CB -0.992 39.786 40.800 -0.037 0.000 1.144 97 D HN 0.167 nan 8.370 nan 0.000 0.470 98 F N 1.253 120.903 119.950 -0.501 0.000 2.545 98 F HA 0.310 4.835 4.527 -0.003 0.000 0.348 98 F C 1.264 177.032 175.800 -0.054 0.000 1.163 98 F CA -0.776 57.068 58.000 -0.262 0.000 1.331 98 F CB 0.377 39.174 39.000 -0.339 0.000 1.138 98 F HN -0.111 nan 8.300 nan 0.000 0.602 99 I N 4.659 125.321 120.570 0.153 0.000 2.460 99 I HA 0.251 4.420 4.170 -0.003 0.000 0.298 99 I C -1.776 174.369 176.117 0.047 0.000 0.989 99 I CA -1.748 59.545 61.300 -0.011 0.000 1.173 99 I CB 2.434 40.275 38.000 -0.265 0.000 1.338 99 I HN 0.356 nan 8.210 nan 0.000 0.456 100 P HA 0.146 nan 4.420 nan 0.000 0.262 100 P C 0.790 178.228 177.300 0.231 0.000 1.651 100 P CA -0.090 63.041 63.100 0.052 0.000 1.119 100 P CB 0.310 32.041 31.700 0.052 0.000 1.552 101 T N -0.089 114.647 114.554 0.302 0.000 2.649 101 T HA -0.137 4.212 4.350 -0.003 0.000 0.268 101 T C 1.639 176.484 174.700 0.242 0.000 1.036 101 T CA 2.091 64.393 62.100 0.337 0.000 1.157 101 T CB -0.584 68.573 68.868 0.483 0.000 0.861 101 T HN 0.208 nan 8.240 nan 0.000 0.445 102 S N 0.504 116.344 115.700 0.234 0.000 2.593 102 S HA 0.321 4.790 4.470 -0.003 0.000 0.217 102 S C 0.505 175.195 174.600 0.150 0.000 0.966 102 S CA 0.031 58.329 58.200 0.164 0.000 0.914 102 S CB -0.150 63.144 63.200 0.157 0.000 0.776 102 S HN 0.437 nan 8.310 nan 0.000 0.523 103 M N 1.748 121.463 119.600 0.192 0.000 2.318 103 M HA 0.388 4.866 4.480 -0.003 0.000 0.347 103 M C -0.721 175.686 176.300 0.178 0.000 1.175 103 M CA -0.368 55.016 55.300 0.139 0.000 1.075 103 M CB 1.024 33.669 32.600 0.076 0.000 1.614 103 M HN -0.084 nan 8.290 nan 0.000 0.456 104 D N 2.370 122.815 120.400 0.076 0.000 2.374 104 D HA 0.524 5.162 4.640 -0.003 0.000 0.239 104 D C -2.519 173.660 176.300 -0.202 0.000 0.991 104 D CA -1.406 52.567 54.000 -0.045 0.000 0.960 104 D CB 1.777 42.574 40.800 -0.006 0.000 1.284 104 D HN 0.172 nan 8.370 nan 0.000 0.512 105 P HA 0.106 nan 4.420 nan 0.000 0.269 105 P C -1.664 175.530 177.300 -0.178 0.000 1.209 105 P CA -0.668 62.214 63.100 -0.363 0.000 0.776 105 P CB 0.326 31.687 31.700 -0.565 0.000 0.876 106 P HA -0.024 nan 4.420 nan 0.000 0.240 106 P C 1.210 178.499 177.300 -0.018 0.000 1.190 106 P CA 0.686 63.760 63.100 -0.043 0.000 0.781 106 P CB 0.264 31.960 31.700 -0.006 0.000 0.931 107 E N 0.982 121.188 120.200 0.011 0.000 2.147 107 E HA -0.259 4.089 4.350 -0.003 0.000 0.199 107 E C 2.174 178.862 176.600 0.146 0.000 1.005 107 E CA 1.113 57.559 56.400 0.078 0.000 0.810 107 E CB -0.177 29.575 29.700 0.087 0.000 0.736 107 E HN 0.248 nan 8.360 nan 0.000 0.460 108 Q N 0.266 120.109 119.800 0.071 0.000 2.224 108 Q HA -0.179 4.160 4.340 -0.003 0.000 0.203 108 Q C 2.119 178.169 176.000 0.083 0.000 0.970 108 Q CA 0.867 56.725 55.803 0.091 0.000 0.865 108 Q CB 0.060 28.747 28.738 -0.085 0.000 0.922 108 Q HN 0.250 nan 8.270 nan 0.000 0.445 109 R N 0.083 120.582 120.500 -0.003 0.000 2.094 109 R HA -0.206 4.133 4.340 -0.003 0.000 0.239 109 R C 2.390 178.657 176.300 -0.057 0.000 1.137 109 R CA 2.185 58.262 56.100 -0.038 0.000 0.943 109 R CB -0.217 30.052 30.300 -0.052 0.000 0.850 109 R HN 0.424 nan 8.270 nan 0.000 0.433 110 Q N -0.668 119.057 119.800 -0.125 0.000 2.170 110 Q HA -0.150 4.188 4.340 -0.003 0.000 0.203 110 Q C 1.857 177.672 176.000 -0.308 0.000 0.976 110 Q CA 1.511 57.155 55.803 -0.265 0.000 0.858 110 Q CB -0.079 28.409 28.738 -0.417 0.000 0.907 110 Q HN 0.335 nan 8.270 nan 0.000 0.433 111 F N 0.066 120.000 119.950 -0.027 0.000 2.163 111 F HA -0.065 4.462 4.527 -0.001 0.000 0.297 111 F C 2.382 178.168 175.800 -0.024 0.000 1.094 111 F CA 0.803 58.792 58.000 -0.018 0.000 1.290 111 F CB -0.034 38.964 39.000 -0.004 0.000 1.017 111 F HN -0.084 nan 8.300 nan 0.000 0.483 112 R N 0.184 120.753 120.500 0.115 0.000 2.092 112 R HA -0.094 4.244 4.340 -0.003 0.000 0.231 112 R C 2.424 178.730 176.300 0.009 0.000 1.119 112 R CA 1.043 57.167 56.100 0.040 0.000 0.970 112 R CB -0.640 29.651 30.300 -0.015 0.000 0.864 112 R HN 0.288 nan 8.270 nan 0.000 0.440 113 A N 1.120 123.930 122.820 -0.017 0.000 1.902 113 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 113 A C 2.033 179.601 177.584 -0.027 0.000 1.181 113 A CA 1.066 53.084 52.037 -0.033 0.000 0.623 113 A CB -0.449 18.517 19.000 -0.057 0.000 0.818 113 A HN 0.229 nan 8.150 nan 0.000 0.443 114 L N -0.325 120.881 121.223 -0.029 0.000 2.093 114 L HA -0.017 4.322 4.340 -0.003 0.000 0.208 114 L C 2.662 179.539 176.870 0.012 0.000 1.085 114 L CA 2.058 56.888 54.840 -0.017 0.000 0.755 114 L CB -0.799 41.246 42.059 -0.023 0.000 0.904 114 L HN 0.346 nan 8.230 nan 0.000 0.435 115 A N -0.395 122.446 122.820 0.036 0.000 1.902 115 A HA -0.270 4.048 4.320 -0.003 0.000 0.217 115 A C 2.194 179.791 177.584 0.022 0.000 1.181 115 A CA 1.802 53.863 52.037 0.040 0.000 0.623 115 A CB -1.004 18.029 19.000 0.054 0.000 0.818 115 A HN 0.599 nan 8.150 nan 0.000 0.443 116 N N -0.342 118.367 118.700 0.014 0.000 2.289 116 N HA -0.208 4.530 4.740 -0.003 0.000 0.184 116 N C 1.820 177.329 175.510 -0.002 0.000 1.016 116 N CA 1.695 54.752 53.050 0.012 0.000 0.872 116 N CB -0.338 38.154 38.487 0.007 0.000 0.973 116 N HN 0.658 nan 8.380 nan 0.000 0.433 117 Q N -0.307 119.488 119.800 -0.009 0.000 2.167 117 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 117 Q C 1.633 177.622 176.000 -0.018 0.000 0.970 117 Q CA 1.586 57.378 55.803 -0.019 0.000 0.855 117 Q CB 0.150 28.874 28.738 -0.022 0.000 0.911 117 Q HN 0.447 nan 8.270 nan 0.000 0.438 118 V N -2.652 117.256 119.914 -0.010 0.000 3.471 118 V HA 0.095 4.213 4.120 -0.003 0.000 0.258 118 V C 1.373 177.459 176.094 -0.014 0.000 1.192 118 V CA 0.656 62.946 62.300 -0.016 0.000 1.116 118 V CB 0.831 32.645 31.823 -0.014 0.000 0.792 118 V HN 0.275 nan 8.190 nan 0.000 0.459 119 V N -2.169 117.746 119.914 0.003 0.000 3.330 119 V HA 0.708 4.827 4.120 -0.003 0.000 0.309 119 V C 1.071 177.185 176.094 0.033 0.000 1.481 119 V CA 0.145 62.452 62.300 0.012 0.000 1.068 119 V CB -0.655 31.182 31.823 0.023 0.000 0.935 119 V HN 0.432 nan 8.190 nan 0.000 0.453 120 G N -0.159 108.654 108.800 0.022 0.000 2.683 120 G HA2 0.307 4.265 3.960 -0.003 0.000 0.260 120 G HA3 0.307 4.265 3.960 -0.003 0.000 0.260 120 G C 0.560 175.431 174.900 -0.049 0.000 1.238 120 G CA 0.213 45.323 45.100 0.018 0.000 0.934 120 G HN 0.177 nan 8.290 nan 0.000 0.534 121 M N 0.739 120.214 119.600 -0.209 0.000 2.089 121 M HA -0.060 4.418 4.480 -0.003 0.000 0.257 121 M C -0.223 176.009 176.300 -0.112 0.000 1.071 121 M CA 2.013 57.171 55.300 -0.236 0.000 1.096 121 M CB -1.032 31.329 32.600 -0.399 0.000 1.330 121 M HN 0.337 nan 8.290 nan 0.000 0.403 122 P HA -0.114 nan 4.420 nan 0.000 0.216 122 P C 1.721 178.995 177.300 -0.043 0.000 1.150 122 P CA 1.321 64.384 63.100 -0.061 0.000 0.837 122 P CB -0.121 31.545 31.700 -0.056 0.000 0.786 123 V N -0.566 119.324 119.914 -0.040 0.000 2.358 123 V HA -0.187 3.932 4.120 -0.003 0.000 0.246 123 V C 2.438 178.517 176.094 -0.024 0.000 1.047 123 V CA 1.676 63.957 62.300 -0.031 0.000 1.035 123 V CB -1.232 30.573 31.823 -0.030 0.000 0.658 123 V HN -0.036 nan 8.190 nan 0.000 0.452 124 V N 0.274 120.178 119.914 -0.017 0.000 2.343 124 V HA -0.268 3.850 4.120 -0.003 0.000 0.247 124 V C 2.292 178.386 176.094 0.000 0.000 1.051 124 V CA 2.226 64.525 62.300 -0.001 0.000 1.036 124 V CB -0.762 31.073 31.823 0.020 0.000 0.654 124 V HN 0.524 nan 8.190 nan 0.000 0.451 125 D N -0.195 120.199 120.400 -0.010 0.000 2.149 125 D HA -0.177 4.461 4.640 -0.003 0.000 0.198 125 D C 2.202 178.500 176.300 -0.003 0.000 0.990 125 D CA 1.293 55.290 54.000 -0.006 0.000 0.839 125 D CB -0.178 40.611 40.800 -0.017 0.000 0.948 125 D HN 0.324 nan 8.370 nan 0.000 0.460 126 K N -0.038 120.356 120.400 -0.011 0.000 2.103 126 K HA 0.081 4.399 4.320 -0.003 0.000 0.204 126 K C 1.916 178.512 176.600 -0.006 0.000 1.052 126 K CA 0.483 56.764 56.287 -0.010 0.000 0.945 126 K CB 0.026 32.515 32.500 -0.018 0.000 0.722 126 K HN 0.101 nan 8.250 nan 0.000 0.443 127 L N 0.182 121.401 121.223 -0.007 0.000 2.492 127 L HA 0.018 4.356 4.340 -0.003 0.000 0.223 127 L C 2.106 178.985 176.870 0.014 0.000 1.132 127 L CA 0.416 55.252 54.840 -0.005 0.000 0.850 127 L CB -0.270 41.776 42.059 -0.020 0.000 0.966 127 L HN 0.337 nan 8.230 nan 0.000 0.454 128 E N 1.009 121.223 120.200 0.024 0.000 2.108 128 E HA -0.288 4.060 4.350 -0.003 0.000 0.203 128 E C 1.725 178.358 176.600 0.056 0.000 1.022 128 E CA 1.692 58.120 56.400 0.046 0.000 0.823 128 E CB 0.134 29.861 29.700 0.044 0.000 0.744 128 E HN 0.496 nan 8.360 nan 0.000 0.456 129 N N 0.187 118.912 118.700 0.041 0.000 2.166 129 N HA -0.139 4.599 4.740 -0.003 0.000 0.186 129 N C 1.843 177.383 175.510 0.050 0.000 1.019 129 N CA 1.008 54.084 53.050 0.043 0.000 0.856 129 N CB -0.256 38.248 38.487 0.029 0.000 0.993 129 N HN 0.175 nan 8.380 nan 0.000 0.426 130 R N 0.386 120.910 120.500 0.041 0.000 2.115 130 R HA 0.160 4.498 4.340 -0.003 0.000 0.226 130 R C 2.227 178.569 176.300 0.070 0.000 1.100 130 R CA 0.464 56.590 56.100 0.042 0.000 0.980 130 R CB -0.073 30.238 30.300 0.018 0.000 0.875 130 R HN 0.216 nan 8.270 nan 0.000 0.445 131 I N 0.555 121.173 120.570 0.080 0.000 2.315 131 I HA -0.295 3.874 4.170 -0.003 0.000 0.248 131 I C 2.725 178.991 176.117 0.247 0.000 1.117 131 I CA 1.230 62.612 61.300 0.138 0.000 1.404 131 I CB -0.261 37.808 38.000 0.114 0.000 1.071 131 I HN 0.292 nan 8.210 nan 0.000 0.419 132 Q N 1.280 121.183 119.800 0.173 0.000 2.046 132 Q HA -0.245 4.093 4.340 -0.003 0.000 0.200 132 Q C 1.977 178.059 176.000 0.137 0.000 0.975 132 Q CA 1.708 57.605 55.803 0.157 0.000 0.836 132 Q CB 0.024 28.825 28.738 0.104 0.000 0.896 132 Q HN 0.525 nan 8.270 nan 0.000 0.428 133 E N 0.379 120.644 120.200 0.109 0.000 2.085 133 E HA -0.216 4.132 4.350 -0.003 0.000 0.194 133 E C 2.024 178.688 176.600 0.107 0.000 0.994 133 E CA 1.185 57.636 56.400 0.086 0.000 0.801 133 E CB -0.136 29.601 29.700 0.063 0.000 0.743 133 E HN 0.263 nan 8.360 nan 0.000 0.453 134 L N 0.873 122.188 121.223 0.155 0.000 2.056 134 L HA -0.088 4.251 4.340 -0.003 0.000 0.207 134 L C 2.176 179.172 176.870 0.209 0.000 1.078 134 L CA 1.992 56.947 54.840 0.191 0.000 0.749 134 L CB -0.672 41.533 42.059 0.242 0.000 0.901 134 L HN 0.046 nan 8.230 nan 0.000 0.433 135 A N -1.290 121.684 122.820 0.257 0.000 1.877 135 A HA -0.277 4.041 4.320 -0.003 0.000 0.216 135 A C 2.524 180.187 177.584 0.130 0.000 1.186 135 A CA 1.757 53.857 52.037 0.105 0.000 0.620 135 A CB -1.642 17.406 19.000 0.080 0.000 0.822 135 A HN 0.652 nan 8.150 nan 0.000 0.443 136 C N -0.891 118.466 119.300 0.095 0.000 2.413 136 C HA -0.083 4.376 4.460 -0.003 0.000 0.276 136 C C 3.223 178.235 174.990 0.037 0.000 1.248 136 C CA 1.712 60.757 59.018 0.046 0.000 1.742 136 C CB -1.120 26.644 27.740 0.039 0.000 2.017 136 C HN 0.650 nan 8.230 nan 0.000 0.481 137 S N -0.302 115.432 115.700 0.056 0.000 2.356 137 S HA -0.126 4.343 4.470 -0.003 0.000 0.223 137 S C 1.807 176.436 174.600 0.047 0.000 1.032 137 S CA 1.878 60.105 58.200 0.044 0.000 1.005 137 S CB -0.384 62.846 63.200 0.050 0.000 0.867 137 S HN 0.674 nan 8.310 nan 0.000 0.449 138 L N 0.750 122.015 121.223 0.070 0.000 2.017 138 L HA -0.066 4.272 4.340 -0.003 0.000 0.208 138 L C 2.434 179.377 176.870 0.121 0.000 1.073 138 L CA 1.393 56.290 54.840 0.095 0.000 0.745 138 L CB -0.488 41.605 42.059 0.056 0.000 0.894 138 L HN 0.377 nan 8.230 nan 0.000 0.432 139 I N -0.497 120.131 120.570 0.096 0.000 2.252 139 I HA -0.253 3.915 4.170 -0.003 0.000 0.245 139 I C 2.544 178.558 176.117 -0.170 0.000 1.102 139 I CA 1.028 62.255 61.300 -0.121 0.000 1.385 139 I CB -0.215 37.638 38.000 -0.245 0.000 1.064 139 I HN 0.239 nan 8.210 nan 0.000 0.414 140 E N 1.197 121.343 120.200 -0.090 0.000 2.204 140 E HA -0.191 4.157 4.350 -0.003 0.000 0.195 140 E C 2.183 178.768 176.600 -0.024 0.000 0.990 140 E CA 1.616 57.974 56.400 -0.071 0.000 0.821 140 E CB -0.115 29.561 29.700 -0.039 0.000 0.750 140 E HN 0.503 nan 8.360 nan 0.000 0.477 141 S N -0.751 114.953 115.700 0.005 0.000 2.428 141 S HA -0.034 4.435 4.470 -0.003 0.000 0.230 141 S C 1.912 176.550 174.600 0.063 0.000 1.014 141 S CA 0.723 58.943 58.200 0.034 0.000 0.957 141 S CB -0.246 62.979 63.200 0.042 0.000 0.784 141 S HN 0.316 nan 8.310 nan 0.000 0.499 142 L N 0.477 121.745 121.223 0.074 0.000 2.298 142 L HA 0.261 4.599 4.340 -0.003 0.000 0.209 142 L C 2.897 179.942 176.870 0.292 0.000 1.084 142 L CA 0.428 55.376 54.840 0.180 0.000 0.816 142 L CB -0.460 41.733 42.059 0.222 0.000 0.967 142 L HN 0.261 nan 8.230 nan 0.000 0.460 143 R N 1.227 121.786 120.500 0.098 0.000 2.159 143 R HA -0.206 4.133 4.340 -0.003 0.000 0.249 143 R C -0.595 175.913 176.300 0.346 0.000 1.136 143 R CA 2.427 58.599 56.100 0.120 0.000 0.951 143 R CB -1.237 29.003 30.300 -0.099 0.000 0.876 143 R HN 0.238 nan 8.270 nan 0.000 0.440 144 P HA -0.097 nan 4.420 nan 0.000 0.233 144 P C 0.335 177.685 177.300 0.085 0.000 1.167 144 P CA 1.181 64.358 63.100 0.128 0.000 0.770 144 P CB 0.032 31.771 31.700 0.066 0.000 0.837 145 Q N -0.499 119.356 119.800 0.092 0.000 2.187 145 Q HA 0.069 4.407 4.340 -0.003 0.000 0.199 145 Q C 1.648 177.470 176.000 -0.297 0.000 0.957 145 Q CA 1.033 56.802 55.803 -0.056 0.000 0.857 145 Q CB -0.461 28.264 28.738 -0.021 0.000 0.929 145 Q HN 0.283 nan 8.270 nan 0.000 0.453 146 G N 1.500 109.930 108.800 -0.618 0.000 2.162 146 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.260 146 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.260 146 G C -0.045 173.906 174.900 -1.582 0.000 0.976 146 G CA 0.754 45.063 45.100 -1.317 0.000 0.655 146 G HN 0.462 nan 8.290 nan 0.000 0.533 147 Q N -1.852 117.090 119.800 -1.429 0.000 2.702 147 Q HA 0.619 4.957 4.340 -0.003 0.000 0.289 147 Q C -0.419 175.418 176.000 -0.272 0.000 0.923 147 Q CA -0.717 54.611 55.803 -0.793 0.000 0.787 147 Q CB 1.627 30.151 28.738 -0.358 0.000 1.476 147 Q HN 1.663 nan 8.270 nan 0.000 0.402 148 C N -0.133 119.196 119.300 0.049 0.000 3.068 148 C HA 0.607 5.066 4.460 -0.003 0.000 0.344 148 C C -1.786 173.336 174.990 0.220 0.000 1.223 148 C CA -0.875 58.271 59.018 0.214 0.000 1.153 148 C CB 1.093 29.099 27.740 0.443 0.000 1.396 148 C HN 0.994 nan 8.230 nan 0.000 0.485 149 N N 1.110 119.910 118.700 0.167 0.000 2.645 149 N HA 0.265 5.004 4.740 -0.003 0.000 0.233 149 N C 0.273 175.878 175.510 0.160 0.000 1.058 149 N CA -1.117 52.019 53.050 0.143 0.000 0.942 149 N CB 0.074 38.610 38.487 0.082 0.000 1.210 149 N HN 0.772 nan 8.380 nan 0.000 0.512 150 F N 3.236 123.230 119.950 0.073 0.000 2.085 150 F HA -0.294 4.232 4.527 -0.003 0.000 0.299 150 F C 1.767 177.592 175.800 0.042 0.000 1.096 150 F CA 1.973 59.987 58.000 0.023 0.000 1.227 150 F CB -0.446 38.454 39.000 -0.167 0.000 0.983 150 F HN 0.403 nan 8.300 nan 0.000 0.482 151 T N -0.238 114.318 114.554 0.003 0.000 2.684 151 T HA -0.199 4.150 4.350 -0.003 0.000 0.267 151 T C 1.843 176.481 174.700 -0.104 0.000 1.036 151 T CA 1.620 63.681 62.100 -0.066 0.000 1.148 151 T CB -0.284 68.592 68.868 0.013 0.000 0.863 151 T HN 0.226 nan 8.240 nan 0.000 0.436 152 E N 0.999 121.172 120.200 -0.045 0.000 2.051 152 E HA -0.069 4.279 4.350 -0.003 0.000 0.189 152 E C 1.904 178.482 176.600 -0.037 0.000 0.979 152 E CA 0.882 57.265 56.400 -0.028 0.000 0.803 152 E CB -0.224 29.481 29.700 0.008 0.000 0.761 152 E HN 0.450 nan 8.360 nan 0.000 0.451 153 D N -1.360 119.028 120.400 -0.020 0.000 2.323 153 D HA -0.070 4.568 4.640 -0.003 0.000 0.209 153 D C 1.357 177.663 176.300 0.010 0.000 0.973 153 D CA 0.612 54.625 54.000 0.022 0.000 0.874 153 D CB 0.213 41.077 40.800 0.106 0.000 0.930 153 D HN 0.246 nan 8.370 nan 0.000 0.521 154 Y N 0.110 120.233 120.300 -0.294 0.000 2.912 154 Y HA 0.355 4.903 4.550 -0.003 0.000 0.250 154 Y C 2.130 177.808 175.900 -0.369 0.000 1.073 154 Y CA 0.577 58.464 58.100 -0.355 0.000 1.275 154 Y CB -0.109 38.046 38.460 -0.507 0.000 1.470 154 Y HN -0.135 nan 8.280 nan 0.000 0.447 155 A N 0.944 123.509 122.820 -0.425 0.000 1.908 155 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 155 A C 1.926 179.467 177.584 -0.072 0.000 1.181 155 A CA 2.114 54.038 52.037 -0.188 0.000 0.627 155 A CB -0.539 18.346 19.000 -0.192 0.000 0.818 155 A HN 0.568 nan 8.150 nan 0.000 0.445 156 E N -0.739 119.404 120.200 -0.096 0.000 2.046 156 E HA -0.091 4.257 4.350 -0.003 0.000 0.190 156 E C -0.210 176.365 176.600 -0.043 0.000 0.982 156 E CA 1.444 57.816 56.400 -0.048 0.000 0.800 156 E CB -1.428 28.247 29.700 -0.040 0.000 0.756 156 E HN 0.461 nan 8.360 nan 0.000 0.449 157 P HA -0.098 nan 4.420 nan 0.000 0.219 157 P C 1.344 178.630 177.300 -0.023 0.000 1.150 157 P CA 0.698 63.768 63.100 -0.049 0.000 0.814 157 P CB -0.128 31.533 31.700 -0.065 0.000 0.787 158 F N 1.577 121.356 119.950 -0.285 0.000 2.026 158 F HA -0.109 4.417 4.527 -0.003 0.000 0.296 158 F C -0.883 174.856 175.800 -0.102 0.000 1.133 158 F CA 1.623 59.457 58.000 -0.277 0.000 1.188 158 F CB -1.874 36.842 39.000 -0.474 0.000 0.968 158 F HN -0.001 nan 8.300 nan 0.000 0.476 159 P HA -0.159 nan 4.420 nan 0.000 0.216 159 P C 2.022 179.273 177.300 -0.082 0.000 1.153 159 P CA 1.489 64.490 63.100 -0.164 0.000 0.848 159 P CB -0.109 31.569 31.700 -0.037 0.000 0.787 160 I N -0.441 120.105 120.570 -0.041 0.000 2.286 160 I HA -0.186 3.982 4.170 -0.003 0.000 0.248 160 I C 2.117 178.258 176.117 0.040 0.000 1.115 160 I CA 1.540 62.843 61.300 0.005 0.000 1.392 160 I CB -0.345 37.646 38.000 -0.016 0.000 1.065 160 I HN -0.229 nan 8.210 nan 0.000 0.418 161 R N -0.033 120.459 120.500 -0.013 0.000 2.115 161 R HA -0.023 4.316 4.340 -0.003 0.000 0.230 161 R C 2.315 178.592 176.300 -0.038 0.000 1.111 161 R CA 1.578 57.672 56.100 -0.009 0.000 0.976 161 R CB -0.369 29.927 30.300 -0.007 0.000 0.870 161 R HN 0.382 nan 8.270 nan 0.000 0.445 162 I N -0.021 120.480 120.570 -0.116 0.000 2.315 162 I HA -0.264 3.904 4.170 -0.003 0.000 0.248 162 I C 2.087 178.178 176.117 -0.045 0.000 1.117 162 I CA 1.076 62.291 61.300 -0.142 0.000 1.404 162 I CB -0.187 37.639 38.000 -0.289 0.000 1.071 162 I HN 0.081 nan 8.210 nan 0.000 0.419 163 F N 1.415 121.302 119.950 -0.105 0.000 2.134 163 F HA -0.256 4.269 4.527 -0.003 0.000 0.299 163 F C 2.474 178.254 175.800 -0.034 0.000 1.097 163 F CA 1.555 59.517 58.000 -0.064 0.000 1.264 163 F CB -0.096 38.871 39.000 -0.055 0.000 1.001 163 F HN -0.062 nan 8.300 nan 0.000 0.479 164 M N -0.201 119.414 119.600 0.025 0.000 2.149 164 M HA -0.153 4.325 4.480 -0.003 0.000 0.261 164 M C 2.257 178.486 176.300 -0.119 0.000 1.064 164 M CA 1.298 56.579 55.300 -0.032 0.000 1.102 164 M CB -1.739 30.890 32.600 0.049 0.000 1.369 164 M HN 0.380 nan 8.290 nan 0.000 0.408 165 L N 0.533 121.693 121.223 -0.104 0.000 2.027 165 L HA -0.108 4.231 4.340 -0.003 0.000 0.206 165 L C 2.251 179.032 176.870 -0.149 0.000 1.074 165 L CA 1.554 56.335 54.840 -0.099 0.000 0.745 165 L CB -1.115 40.901 42.059 -0.071 0.000 0.898 165 L HN 0.225 nan 8.230 nan 0.000 0.433 166 L N 0.302 121.398 121.223 -0.213 0.000 2.046 166 L HA -0.033 4.305 4.340 -0.003 0.000 0.208 166 L C 2.261 178.942 176.870 -0.315 0.000 1.077 166 L CA 2.092 56.786 54.840 -0.244 0.000 0.747 166 L CB -0.881 41.023 42.059 -0.259 0.000 0.896 166 L HN 0.317 nan 8.230 nan 0.000 0.432 167 A N -1.109 121.405 122.820 -0.510 0.000 2.251 167 A HA 0.389 4.707 4.320 -0.003 0.000 0.209 167 A C 1.524 178.975 177.584 -0.223 0.000 1.187 167 A CA 0.467 52.233 52.037 -0.452 0.000 0.823 167 A CB -0.993 17.533 19.000 -0.789 0.000 0.846 167 A HN 0.803 nan 8.150 nan 0.000 0.486 168 G N -0.378 108.320 108.800 -0.170 0.000 2.295 168 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.287 168 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.287 168 G C -0.138 174.731 174.900 -0.052 0.000 1.055 168 G CA 0.573 45.619 45.100 -0.091 0.000 0.922 168 G HN 0.494 nan 8.290 nan 0.000 0.503 169 L N 0.664 121.866 121.223 -0.036 0.000 2.325 169 L HA 0.553 4.891 4.340 -0.003 0.000 0.278 169 L C -1.484 175.416 176.870 0.051 0.000 1.023 169 L CA -2.484 52.382 54.840 0.043 0.000 0.811 169 L CB 1.823 43.962 42.059 0.133 0.000 1.249 169 L HN -0.014 nan 8.230 nan 0.000 0.431 170 P HA -0.001 nan 4.420 nan 0.000 0.271 170 P C 0.131 177.470 177.300 0.066 0.000 1.216 170 P CA -0.137 62.997 63.100 0.056 0.000 0.776 170 P CB 1.100 32.835 31.700 0.058 0.000 0.881 171 E N 2.248 122.476 120.200 0.045 0.000 2.209 171 E HA -0.226 4.122 4.350 -0.003 0.000 0.196 171 E C 1.573 178.201 176.600 0.047 0.000 0.993 171 E CA 1.132 57.558 56.400 0.043 0.000 0.819 171 E CB 0.089 29.807 29.700 0.030 0.000 0.745 171 E HN 0.541 nan 8.360 nan 0.000 0.477 172 E N 0.198 120.427 120.200 0.049 0.000 2.265 172 E HA -0.215 4.133 4.350 -0.003 0.000 0.196 172 E C 0.768 177.406 176.600 0.064 0.000 0.996 172 E CA 1.206 57.635 56.400 0.047 0.000 0.832 172 E CB -0.095 29.629 29.700 0.040 0.000 0.756 172 E HN 0.271 nan 8.360 nan 0.000 0.491 173 D N 0.954 121.408 120.400 0.090 0.000 2.355 173 D HA 0.094 4.733 4.640 -0.003 0.000 0.218 173 D C 1.925 178.263 176.300 0.062 0.000 1.004 173 D CA 0.154 54.222 54.000 0.112 0.000 0.880 173 D CB -0.080 40.840 40.800 0.201 0.000 0.911 173 D HN 0.282 nan 8.370 nan 0.000 0.528 174 I N 1.422 122.023 120.570 0.051 0.000 2.118 174 I HA -0.253 3.916 4.170 -0.003 0.000 0.241 174 I C -0.550 175.575 176.117 0.014 0.000 1.070 174 I CA 1.429 62.745 61.300 0.026 0.000 1.327 174 I CB -1.386 36.631 38.000 0.029 0.000 1.034 174 I HN 0.023 nan 8.210 nan 0.000 0.405 175 P HA -0.200 nan 4.420 nan 0.000 0.216 175 P C 1.456 178.799 177.300 0.072 0.000 1.150 175 P CA 1.598 64.723 63.100 0.043 0.000 0.837 175 P CB -0.078 31.644 31.700 0.037 0.000 0.786 176 H N -0.730 118.324 119.070 -0.027 0.000 2.326 176 H HA -0.069 4.485 4.556 -0.003 0.000 0.301 176 H C 1.766 177.050 175.328 -0.072 0.000 1.081 176 H CA 1.258 57.287 56.048 -0.031 0.000 1.334 176 H CB -0.976 28.747 29.762 -0.065 0.000 1.385 176 H HN -0.122 nan 8.280 nan 0.000 0.504 177 L N 0.526 121.575 121.223 -0.289 0.000 2.083 177 L HA -0.053 4.285 4.340 -0.003 0.000 0.209 177 L C 2.210 178.929 176.870 -0.253 0.000 1.083 177 L CA 1.783 56.385 54.840 -0.396 0.000 0.752 177 L CB -0.651 41.215 42.059 -0.321 0.000 0.899 177 L HN 0.160 nan 8.230 nan 0.000 0.433 178 K N -1.628 118.693 120.400 -0.131 0.000 2.148 178 K HA -0.240 4.079 4.320 -0.003 0.000 0.204 178 K C 2.130 178.691 176.600 -0.065 0.000 1.050 178 K CA 1.424 57.661 56.287 -0.084 0.000 0.942 178 K CB -0.640 31.843 32.500 -0.029 0.000 0.724 178 K HN 0.398 nan 8.250 nan 0.000 0.446 179 Y N 0.745 120.954 120.300 -0.152 0.000 2.181 179 Y HA -0.114 4.434 4.550 -0.003 0.000 0.288 179 Y C 1.480 177.283 175.900 -0.161 0.000 1.146 179 Y CA 1.629 59.653 58.100 -0.127 0.000 1.164 179 Y CB -0.166 38.234 38.460 -0.100 0.000 0.982 179 Y HN -0.001 nan 8.280 nan 0.000 0.515 180 L N -0.511 120.487 121.223 -0.376 0.000 2.027 180 L HA -0.213 4.125 4.340 -0.003 0.000 0.206 180 L C 2.614 179.270 176.870 -0.356 0.000 1.074 180 L CA 2.008 56.587 54.840 -0.435 0.000 0.745 180 L CB -1.301 40.521 42.059 -0.394 0.000 0.898 180 L HN 0.343 nan 8.230 nan 0.000 0.433 181 T N -3.776 110.616 114.554 -0.269 0.000 2.788 181 T HA -0.181 4.167 4.350 -0.003 0.000 0.268 181 T C 1.507 176.116 174.700 -0.151 0.000 1.044 181 T CA 1.352 63.340 62.100 -0.187 0.000 1.139 181 T CB -0.390 68.382 68.868 -0.160 0.000 0.867 181 T HN 0.178 nan 8.240 nan 0.000 0.454 182 D N 1.139 121.436 120.400 -0.173 0.000 2.117 182 D HA -0.077 4.561 4.640 -0.003 0.000 0.197 182 D C 2.500 178.701 176.300 -0.164 0.000 0.987 182 D CA 0.960 54.881 54.000 -0.131 0.000 0.829 182 D CB -0.288 40.449 40.800 -0.106 0.000 0.961 182 D HN 0.351 nan 8.370 nan 0.000 0.460 183 Q N -0.418 119.198 119.800 -0.306 0.000 2.224 183 Q HA -0.019 4.319 4.340 -0.003 0.000 0.203 183 Q C 2.224 178.127 176.000 -0.161 0.000 0.970 183 Q CA 0.560 56.192 55.803 -0.285 0.000 0.865 183 Q CB -0.143 28.315 28.738 -0.468 0.000 0.922 183 Q HN 0.431 nan 8.270 nan 0.000 0.445 184 M N -0.085 119.418 119.600 -0.161 0.000 2.123 184 M HA -0.115 4.363 4.480 -0.003 0.000 0.263 184 M C 2.035 178.429 176.300 0.156 0.000 1.069 184 M CA 1.954 57.215 55.300 -0.064 0.000 1.133 184 M CB -0.182 32.326 32.600 -0.154 0.000 1.356 184 M HN 0.247 nan 8.290 nan 0.000 0.415 185 T N -2.754 111.858 114.554 0.097 0.000 3.037 185 T HA 0.145 4.494 4.350 -0.003 0.000 0.251 185 T C 0.940 175.687 174.700 0.079 0.000 1.079 185 T CA 0.009 62.187 62.100 0.129 0.000 1.067 185 T CB 0.064 69.010 68.868 0.130 0.000 0.948 185 T HN 0.256 nan 8.240 nan 0.000 0.496 186 R N 2.257 122.777 120.500 0.034 0.000 2.681 186 R HA 0.322 4.660 4.340 -0.003 0.000 0.277 186 R C -2.787 173.514 176.300 0.001 0.000 1.563 186 R CA -1.559 54.554 56.100 0.022 0.000 1.673 186 R CB 1.208 31.517 30.300 0.014 0.000 1.258 186 R HN 0.390 nan 8.270 nan 0.000 0.650 187 P HA 0.054 nan 4.420 nan 0.000 0.272 187 P C -0.415 176.885 177.300 -0.001 0.000 1.240 187 P CA 0.251 63.350 63.100 -0.002 0.000 0.791 187 P CB 0.914 32.624 31.700 0.017 0.000 0.978 188 D N -1.863 118.536 120.400 -0.003 0.000 2.619 188 D HA 0.127 4.765 4.640 -0.003 0.000 0.300 188 D C 1.053 177.357 176.300 0.006 0.000 1.502 188 D CA 0.318 54.321 54.000 0.005 0.000 0.865 188 D CB -0.471 40.336 40.800 0.013 0.000 1.343 188 D HN 0.628 nan 8.370 nan 0.000 0.447 189 G N 0.291 109.092 108.800 0.002 0.000 2.194 189 G HA2 -0.357 3.601 3.960 -0.003 0.000 0.236 189 G HA3 -0.357 3.601 3.960 -0.003 0.000 0.236 189 G C 1.309 176.215 174.900 0.010 0.000 0.987 189 G CA 0.484 45.587 45.100 0.004 0.000 0.635 189 G HN 0.321 nan 8.290 nan 0.000 0.520 190 S N -0.039 115.670 115.700 0.015 0.000 2.368 190 S HA 0.185 4.654 4.470 -0.003 0.000 0.225 190 S C 1.077 175.689 174.600 0.021 0.000 1.030 190 S CA 1.842 60.061 58.200 0.033 0.000 0.999 190 S CB -0.245 62.993 63.200 0.063 0.000 0.844 190 S HN 1.240 nan 8.310 nan 0.000 0.459 191 M N -0.578 119.018 119.600 -0.006 0.000 2.534 191 M HA 0.452 4.930 4.480 -0.003 0.000 0.280 191 M C -0.599 175.684 176.300 -0.028 0.000 1.217 191 M CA -1.012 54.276 55.300 -0.019 0.000 0.893 191 M CB 1.596 34.175 32.600 -0.035 0.000 1.730 191 M HN 0.002 nan 8.290 nan 0.000 0.483 192 T N -1.135 113.407 114.554 -0.020 0.000 2.766 192 T HA 0.301 4.649 4.350 -0.003 0.000 0.295 192 T C 0.528 175.225 174.700 -0.005 0.000 1.024 192 T CA -0.274 61.829 62.100 0.004 0.000 1.018 192 T CB 0.770 69.645 68.868 0.012 0.000 1.002 192 T HN 0.656 nan 8.240 nan 0.000 0.532 193 F N 1.499 121.391 119.950 -0.098 0.000 2.126 193 F HA 0.028 4.554 4.527 -0.003 0.000 0.299 193 F C 2.580 178.297 175.800 -0.138 0.000 1.096 193 F CA 1.790 59.715 58.000 -0.125 0.000 1.255 193 F CB -0.967 37.953 39.000 -0.134 0.000 0.997 193 F HN 0.754 nan 8.300 nan 0.000 0.479 194 A N 0.078 122.904 122.820 0.010 0.000 1.908 194 A HA -0.233 4.086 4.320 -0.003 0.000 0.218 194 A C 2.113 179.602 177.584 -0.158 0.000 1.181 194 A CA 2.021 54.018 52.037 -0.067 0.000 0.627 194 A CB -0.907 18.100 19.000 0.012 0.000 0.818 194 A HN 0.574 nan 8.150 nan 0.000 0.445 195 E N -0.391 119.736 120.200 -0.122 0.000 2.072 195 E HA -0.071 4.277 4.350 -0.003 0.000 0.191 195 E C 2.327 178.818 176.600 -0.182 0.000 0.985 195 E CA 0.893 57.226 56.400 -0.112 0.000 0.801 195 E CB -0.278 29.384 29.700 -0.064 0.000 0.750 195 E HN 0.625 nan 8.360 nan 0.000 0.452 196 A N 1.750 124.406 122.820 -0.273 0.000 1.898 196 A HA -0.216 4.102 4.320 -0.003 0.000 0.216 196 A C 2.072 179.386 177.584 -0.449 0.000 1.181 196 A CA 1.530 53.358 52.037 -0.348 0.000 0.620 196 A CB -0.351 18.409 19.000 -0.400 0.000 0.819 196 A HN 0.057 nan 8.150 nan 0.000 0.442 197 K N -0.548 119.470 120.400 -0.638 0.000 2.026 197 K HA -0.184 4.134 4.320 -0.003 0.000 0.208 197 K C 1.833 178.049 176.600 -0.639 0.000 1.048 197 K CA 1.545 57.371 56.287 -0.768 0.000 0.929 197 K CB -0.127 31.857 32.500 -0.860 0.000 0.713 197 K HN 0.341 nan 8.250 nan 0.000 0.439 198 E N 0.325 120.328 120.200 -0.329 0.000 2.110 198 E HA -0.159 4.189 4.350 -0.003 0.000 0.193 198 E C 1.891 178.465 176.600 -0.042 0.000 0.988 198 E CA 1.165 57.506 56.400 -0.097 0.000 0.804 198 E CB -0.228 29.458 29.700 -0.022 0.000 0.745 198 E HN 0.437 nan 8.360 nan 0.000 0.458 199 A N 1.120 123.885 122.820 -0.091 0.000 1.930 199 A HA -0.145 4.173 4.320 -0.003 0.000 0.217 199 A C 2.242 179.831 177.584 0.008 0.000 1.175 199 A CA 1.221 53.250 52.037 -0.013 0.000 0.627 199 A CB -0.533 18.445 19.000 -0.036 0.000 0.815 199 A HN 0.258 nan 8.150 nan 0.000 0.443 200 L N -1.133 120.016 121.223 -0.125 0.000 2.046 200 L HA -0.136 4.202 4.340 -0.003 0.000 0.208 200 L C 2.279 179.240 176.870 0.152 0.000 1.077 200 L CA 1.863 56.659 54.840 -0.073 0.000 0.747 200 L CB -0.844 41.076 42.059 -0.231 0.000 0.896 200 L HN 0.537 nan 8.230 nan 0.000 0.432 201 Y N -0.604 119.736 120.300 0.067 0.000 2.242 201 Y HA -0.237 4.312 4.550 -0.003 0.000 0.291 201 Y C 2.313 178.265 175.900 0.086 0.000 1.137 201 Y CA 0.424 58.569 58.100 0.074 0.000 1.181 201 Y CB -0.208 38.275 38.460 0.038 0.000 0.989 201 Y HN 0.262 nan 8.280 nan 0.000 0.527 202 D N -0.450 120.099 120.400 0.247 0.000 2.178 202 D HA -0.213 4.425 4.640 -0.003 0.000 0.201 202 D C 1.645 178.066 176.300 0.201 0.000 0.980 202 D CA 1.253 55.362 54.000 0.182 0.000 0.842 202 D CB -0.456 40.436 40.800 0.152 0.000 0.948 202 D HN 0.446 nan 8.370 nan 0.000 0.472 203 Y N 0.806 121.186 120.300 0.134 0.000 2.243 203 Y HA -0.021 4.527 4.550 -0.003 0.000 0.293 203 Y C 2.075 178.047 175.900 0.120 0.000 1.124 203 Y CA 1.056 59.240 58.100 0.139 0.000 1.159 203 Y CB -0.137 38.425 38.460 0.171 0.000 1.008 203 Y HN -0.121 nan 8.280 nan 0.000 0.527 204 L N -0.368 120.951 121.223 0.159 0.000 2.044 204 L HA -0.156 4.182 4.340 -0.003 0.000 0.205 204 L C 2.364 179.229 176.870 -0.008 0.000 1.075 204 L CA 1.072 55.947 54.840 0.059 0.000 0.747 204 L CB -0.575 41.615 42.059 0.218 0.000 0.903 204 L HN 0.247 nan 8.230 nan 0.000 0.435 205 I N 0.264 120.853 120.570 0.032 0.000 2.091 205 I HA -0.301 3.868 4.170 -0.003 0.000 0.240 205 I C -0.353 175.745 176.117 -0.031 0.000 1.046 205 I CA 1.986 63.284 61.300 -0.003 0.000 1.306 205 I CB -1.535 36.472 38.000 0.011 0.000 1.018 205 I HN 0.215 nan 8.210 nan 0.000 0.404 206 P HA -0.142 nan 4.420 nan 0.000 0.216 206 P C 1.782 179.037 177.300 -0.076 0.000 1.150 206 P CA 1.551 64.617 63.100 -0.057 0.000 0.837 206 P CB -0.041 31.622 31.700 -0.063 0.000 0.786 207 I N -1.561 118.939 120.570 -0.117 0.000 2.252 207 I HA -0.193 3.975 4.170 -0.003 0.000 0.245 207 I C 2.259 178.337 176.117 -0.065 0.000 1.102 207 I CA 1.282 62.514 61.300 -0.114 0.000 1.385 207 I CB -0.577 37.316 38.000 -0.177 0.000 1.064 207 I HN -0.118 nan 8.210 nan 0.000 0.414 208 I N 0.715 121.256 120.570 -0.049 0.000 2.179 208 I HA -0.247 3.921 4.170 -0.003 0.000 0.242 208 I C 2.607 178.708 176.117 -0.027 0.000 1.088 208 I CA 1.368 62.651 61.300 -0.028 0.000 1.357 208 I CB -0.425 37.565 38.000 -0.017 0.000 1.051 208 I HN 0.243 nan 8.210 nan 0.000 0.409 209 E N 0.461 120.643 120.200 -0.029 0.000 2.110 209 E HA -0.297 4.051 4.350 -0.003 0.000 0.193 209 E C 2.044 178.628 176.600 -0.026 0.000 0.988 209 E CA 1.171 57.556 56.400 -0.025 0.000 0.804 209 E CB -0.354 29.332 29.700 -0.023 0.000 0.745 209 E HN 0.597 nan 8.360 nan 0.000 0.458 210 Q N 0.953 120.733 119.800 -0.033 0.000 2.050 210 Q HA -0.120 4.218 4.340 -0.003 0.000 0.202 210 Q C 2.005 177.987 176.000 -0.029 0.000 0.980 210 Q CA 1.289 57.072 55.803 -0.032 0.000 0.840 210 Q CB 0.089 28.802 28.738 -0.041 0.000 0.898 210 Q HN 0.116 nan 8.270 nan 0.000 0.424 211 R N -0.384 120.097 120.500 -0.032 0.000 2.299 211 R HA 0.035 4.373 4.340 -0.003 0.000 0.197 211 R C 2.175 178.460 176.300 -0.024 0.000 0.971 211 R CA 0.233 56.316 56.100 -0.029 0.000 1.030 211 R CB -0.019 30.262 30.300 -0.033 0.000 0.932 211 R HN 0.175 nan 8.270 nan 0.000 0.477 212 R N 0.712 121.199 120.500 -0.022 0.000 2.090 212 R HA -0.104 4.234 4.340 -0.003 0.000 0.228 212 R C 1.519 177.808 176.300 -0.018 0.000 1.110 212 R CA 1.220 57.309 56.100 -0.018 0.000 0.973 212 R CB 0.276 30.566 30.300 -0.016 0.000 0.869 212 R HN 0.149 nan 8.270 nan 0.000 0.440 213 Q N 0.138 119.927 119.800 -0.018 0.000 2.123 213 Q HA 0.005 4.343 4.340 -0.003 0.000 0.196 213 Q C 0.347 176.336 176.000 -0.017 0.000 0.958 213 Q CA 1.089 56.882 55.803 -0.017 0.000 0.841 213 Q CB 0.256 28.984 28.738 -0.016 0.000 0.915 213 Q HN -0.079 nan 8.270 nan 0.000 0.455 214 K N 1.731 122.120 120.400 -0.019 0.000 2.533 214 K HA 0.245 4.564 4.320 -0.003 0.000 0.207 214 K C -2.524 174.063 176.600 -0.022 0.000 1.052 214 K CA -2.005 54.270 56.287 -0.020 0.000 1.030 214 K CB 1.121 33.610 32.500 -0.019 0.000 1.522 214 K HN 0.017 nan 8.250 nan 0.000 0.543 215 P HA 0.202 nan 4.420 nan 0.000 0.279 215 P C -0.059 177.226 177.300 -0.025 0.000 1.239 215 P CA -0.230 62.855 63.100 -0.024 0.000 0.789 215 P CB 1.866 33.552 31.700 -0.023 0.000 0.933 216 G N 0.955 109.738 108.800 -0.029 0.000 2.940 216 G HA2 0.446 4.404 3.960 -0.003 0.000 0.164 216 G HA3 0.446 4.404 3.960 -0.003 0.000 0.164 216 G C 0.405 175.286 174.900 -0.032 0.000 1.326 216 G CA -0.162 44.920 45.100 -0.029 0.000 1.020 216 G HN 0.484 nan 8.290 nan 0.000 0.586 217 T N -1.223 113.310 114.554 -0.035 0.000 3.085 217 T HA 0.215 4.563 4.350 -0.003 0.000 0.264 217 T C 0.330 175.002 174.700 -0.046 0.000 1.019 217 T CA 0.194 62.272 62.100 -0.037 0.000 0.910 217 T CB -0.241 68.607 68.868 -0.033 0.000 1.059 217 T HN 0.573 nan 8.240 nan 0.000 0.542 218 D N 0.952 121.320 120.400 -0.054 0.000 2.377 218 D HA 0.372 5.010 4.640 -0.003 0.000 0.245 218 D C 1.440 177.696 176.300 -0.075 0.000 1.196 218 D CA -0.230 53.725 54.000 -0.075 0.000 0.962 218 D CB 1.478 42.227 40.800 -0.086 0.000 1.127 218 D HN 0.080 nan 8.370 nan 0.000 0.471 219 A N 1.087 123.847 122.820 -0.101 0.000 1.908 219 A HA -0.153 4.165 4.320 -0.003 0.000 0.218 219 A C 2.387 179.939 177.584 -0.053 0.000 1.181 219 A CA 1.188 53.176 52.037 -0.082 0.000 0.627 219 A CB -0.794 18.136 19.000 -0.117 0.000 0.818 219 A HN 0.672 nan 8.150 nan 0.000 0.445 220 I N -0.423 120.109 120.570 -0.063 0.000 2.226 220 I HA -0.216 3.952 4.170 -0.003 0.000 0.245 220 I C 2.679 178.781 176.117 -0.024 0.000 1.100 220 I CA 1.411 62.695 61.300 -0.026 0.000 1.374 220 I CB -0.399 37.587 38.000 -0.024 0.000 1.057 220 I HN 0.230 nan 8.210 nan 0.000 0.413 221 S N 0.893 116.572 115.700 -0.035 0.000 2.370 221 S HA -0.124 4.345 4.470 -0.003 0.000 0.226 221 S C 1.998 176.583 174.600 -0.025 0.000 1.033 221 S CA 1.143 59.325 58.200 -0.030 0.000 1.011 221 S CB -0.159 63.020 63.200 -0.034 0.000 0.852 221 S HN 0.266 nan 8.310 nan 0.000 0.457 222 I N 1.230 121.784 120.570 -0.027 0.000 2.252 222 I HA -0.076 4.092 4.170 -0.003 0.000 0.245 222 I C 2.297 178.406 176.117 -0.014 0.000 1.102 222 I CA 0.963 62.249 61.300 -0.023 0.000 1.385 222 I CB -1.563 36.422 38.000 -0.026 0.000 1.064 222 I HN 0.149 nan 8.210 nan 0.000 0.414 223 V N 1.461 121.372 119.914 -0.005 0.000 2.343 223 V HA -0.226 3.893 4.120 -0.003 0.000 0.247 223 V C 2.816 178.916 176.094 0.010 0.000 1.051 223 V CA 1.731 64.039 62.300 0.013 0.000 1.036 223 V CB -1.112 30.730 31.823 0.032 0.000 0.654 223 V HN 0.452 nan 8.190 nan 0.000 0.451 224 A N 0.205 123.026 122.820 0.002 0.000 2.019 224 A HA -0.208 4.110 4.320 -0.003 0.000 0.219 224 A C 1.759 179.338 177.584 -0.008 0.000 1.164 224 A CA 2.105 54.140 52.037 -0.002 0.000 0.644 224 A CB -0.655 18.338 19.000 -0.010 0.000 0.805 224 A HN 0.666 nan 8.150 nan 0.000 0.449 225 N N -0.486 118.206 118.700 -0.014 0.000 2.276 225 N HA 0.297 5.035 4.740 -0.003 0.000 0.212 225 N C 0.616 176.112 175.510 -0.024 0.000 1.127 225 N CA 0.391 53.430 53.050 -0.019 0.000 0.834 225 N CB 0.522 38.996 38.487 -0.021 0.000 1.014 225 N HN 0.426 nan 8.380 nan 0.000 0.491 226 G N -0.305 108.481 108.800 -0.024 0.000 2.572 226 G HA2 0.281 4.239 3.960 -0.003 0.000 0.261 226 G HA3 0.281 4.239 3.960 -0.003 0.000 0.261 226 G C -0.365 174.504 174.900 -0.051 0.000 1.197 226 G CA -0.320 44.756 45.100 -0.041 0.000 0.870 226 G HN 0.002 nan 8.290 nan 0.000 0.548 227 Q N -0.707 119.048 119.800 -0.076 0.000 2.342 227 Q HA 0.531 4.869 4.340 -0.003 0.000 0.267 227 Q C -1.044 174.876 176.000 -0.133 0.000 1.038 227 Q CA -0.650 55.105 55.803 -0.081 0.000 0.832 227 Q CB 2.556 31.255 28.738 -0.065 0.000 1.323 227 Q HN 0.266 nan 8.270 nan 0.000 0.448 228 V N 3.092 122.929 119.914 -0.129 0.000 2.525 228 V HA 0.266 4.385 4.120 -0.003 0.000 0.299 228 V C -0.160 175.872 176.094 -0.104 0.000 1.034 228 V CA -0.929 61.258 62.300 -0.188 0.000 0.863 228 V CB 1.547 33.228 31.823 -0.236 0.000 0.999 228 V HN 0.818 nan 8.190 nan 0.000 0.423 229 N N 3.882 122.523 118.700 -0.099 0.000 2.725 229 N HA -0.212 4.526 4.740 -0.003 0.000 0.251 229 N C 1.209 176.694 175.510 -0.040 0.000 1.031 229 N CA 1.562 54.578 53.050 -0.056 0.000 0.720 229 N CB -1.002 37.466 38.487 -0.032 0.000 0.930 229 N HN 1.620 nan 8.380 nan 0.000 0.543 230 G N -1.372 107.400 108.800 -0.046 0.000 2.184 230 G HA2 -0.384 3.574 3.960 -0.003 0.000 0.264 230 G HA3 -0.384 3.574 3.960 -0.003 0.000 0.264 230 G C 0.120 175.002 174.900 -0.029 0.000 0.975 230 G CA 1.153 46.233 45.100 -0.035 0.000 0.642 230 G HN 0.907 nan 8.290 nan 0.000 0.536 231 R N -1.095 119.386 120.500 -0.031 0.000 2.837 231 R HA 0.770 5.108 4.340 -0.003 0.000 0.271 231 R C -3.305 172.979 176.300 -0.026 0.000 0.993 231 R CA -2.563 53.523 56.100 -0.023 0.000 0.931 231 R CB 0.049 30.342 30.300 -0.012 0.000 1.206 231 R HN 0.043 nan 8.270 nan 0.000 0.474 232 P HA 0.007 nan 4.420 nan 0.000 0.266 232 P C -0.247 177.049 177.300 -0.006 0.000 1.195 232 P CA -0.135 62.955 63.100 -0.016 0.000 0.768 232 P CB 0.441 32.134 31.700 -0.011 0.000 0.838 233 I N 2.478 123.045 120.570 -0.004 0.000 2.648 233 I HA 0.026 4.194 4.170 -0.003 0.000 0.284 233 I C 0.813 176.949 176.117 0.032 0.000 1.153 233 I CA 0.128 61.445 61.300 0.029 0.000 1.426 233 I CB 0.618 38.643 38.000 0.041 0.000 1.381 233 I HN 0.414 nan 8.210 nan 0.000 0.571 234 T N 2.366 116.948 114.554 0.048 0.000 2.788 234 T HA 0.073 4.421 4.350 -0.003 0.000 0.287 234 T C 1.117 175.821 174.700 0.007 0.000 1.007 234 T CA -0.029 62.084 62.100 0.022 0.000 1.005 234 T CB 1.577 70.457 68.868 0.021 0.000 1.012 234 T HN 0.713 nan 8.240 nan 0.000 0.530 235 S N -0.047 115.644 115.700 -0.015 0.000 2.368 235 S HA -0.185 4.284 4.470 -0.003 0.000 0.225 235 S C 1.683 176.238 174.600 -0.075 0.000 1.030 235 S CA 1.959 60.136 58.200 -0.037 0.000 0.999 235 S CB -0.962 62.215 63.200 -0.039 0.000 0.844 235 S HN 0.902 nan 8.310 nan 0.000 0.459 236 D N 0.303 120.657 120.400 -0.076 0.000 2.097 236 D HA -0.114 4.525 4.640 -0.003 0.000 0.195 236 D C 2.041 178.273 176.300 -0.113 0.000 0.989 236 D CA 1.621 55.547 54.000 -0.124 0.000 0.827 236 D CB -0.203 40.548 40.800 -0.081 0.000 0.966 236 D HN 0.603 nan 8.370 nan 0.000 0.456 237 E N -0.240 119.939 120.200 -0.034 0.000 2.077 237 E HA -0.132 4.216 4.350 -0.003 0.000 0.193 237 E C 2.130 178.742 176.600 0.020 0.000 0.989 237 E CA 0.955 57.359 56.400 0.006 0.000 0.800 237 E CB -0.159 29.634 29.700 0.156 0.000 0.746 237 E HN 0.360 nan 8.360 nan 0.000 0.452 238 A N 2.239 125.073 122.820 0.024 0.000 1.898 238 A HA -0.238 4.080 4.320 -0.003 0.000 0.216 238 A C 2.090 179.671 177.584 -0.005 0.000 1.181 238 A CA 1.852 53.907 52.037 0.029 0.000 0.620 238 A CB -0.469 18.543 19.000 0.020 0.000 0.819 238 A HN 0.239 nan 8.150 nan 0.000 0.442 239 K N -0.472 119.879 120.400 -0.082 0.000 2.097 239 K HA -0.093 4.226 4.320 -0.003 0.000 0.205 239 K C 1.926 178.495 176.600 -0.053 0.000 1.050 239 K CA 1.299 57.513 56.287 -0.123 0.000 0.938 239 K CB -0.304 31.971 32.500 -0.375 0.000 0.718 239 K HN 0.341 nan 8.250 nan 0.000 0.442 240 R N 0.144 120.581 120.500 -0.104 0.000 2.148 240 R HA 0.080 4.418 4.340 -0.003 0.000 0.227 240 R C 2.320 178.685 176.300 0.107 0.000 1.103 240 R CA 1.508 57.684 56.100 0.127 0.000 0.983 240 R CB -0.202 30.120 30.300 0.037 0.000 0.874 240 R HN 0.300 nan 8.270 nan 0.000 0.451 241 M N -0.866 118.746 119.600 0.020 0.000 2.216 241 M HA -0.106 4.372 4.480 -0.003 0.000 0.264 241 M C 2.237 178.519 176.300 -0.030 0.000 1.080 241 M CA 1.082 56.386 55.300 0.006 0.000 1.153 241 M CB 0.023 32.663 32.600 0.068 0.000 1.356 241 M HN 0.210 nan 8.290 nan 0.000 0.432 242 C N 0.426 119.736 119.300 0.016 0.000 2.422 242 C HA -0.057 4.401 4.460 -0.003 0.000 0.279 242 C C 2.807 177.764 174.990 -0.056 0.000 1.305 242 C CA 1.052 60.102 59.018 0.053 0.000 1.757 242 C CB -1.746 26.067 27.740 0.122 0.000 1.962 242 C HN 0.757 nan 8.230 nan 0.000 0.499 243 G N 0.229 108.937 108.800 -0.153 0.000 2.422 243 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.218 243 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.218 243 G C 1.497 175.736 174.900 -1.102 0.000 1.146 243 G CA 0.882 45.695 45.100 -0.478 0.000 0.769 243 G HN 0.470 nan 8.290 nan 0.000 0.547 244 L N 0.329 120.891 121.223 -1.101 0.000 2.131 244 L HA 0.288 4.627 4.340 -0.003 0.000 0.206 244 L C 2.579 179.267 176.870 -0.304 0.000 1.087 244 L CA 1.014 55.404 54.840 -0.750 0.000 0.767 244 L CB -0.403 41.444 42.059 -0.354 0.000 0.917 244 L HN 0.172 nan 8.230 nan 0.000 0.441 245 L N -1.044 120.076 121.223 -0.172 0.000 2.187 245 L HA -0.203 4.135 4.340 -0.003 0.000 0.213 245 L C 2.318 179.155 176.870 -0.056 0.000 1.100 245 L CA 0.898 55.740 54.840 0.003 0.000 0.765 245 L CB -0.523 41.625 42.059 0.148 0.000 0.904 245 L HN 0.391 nan 8.230 nan 0.000 0.437 246 L N -1.069 119.933 121.223 -0.368 0.000 2.071 246 L HA -0.028 4.310 4.340 -0.003 0.000 0.201 246 L C 2.244 178.825 176.870 -0.482 0.000 1.076 246 L CA 1.515 55.823 54.840 -0.888 0.000 0.755 246 L CB -0.395 41.025 42.059 -1.065 0.000 0.915 246 L HN -0.151 nan 8.230 nan 0.000 0.445 247 V N 0.598 120.305 119.914 -0.346 0.000 2.515 247 V HA -0.101 4.018 4.120 -0.003 0.000 0.250 247 V C 2.596 178.668 176.094 -0.037 0.000 1.058 247 V CA 1.544 63.760 62.300 -0.139 0.000 1.064 247 V CB -1.512 30.329 31.823 0.029 0.000 0.675 247 V HN 0.640 nan 8.190 nan 0.000 0.461 248 G N 0.104 108.878 108.800 -0.044 0.000 2.470 248 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.220 248 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.220 248 G C 1.338 176.255 174.900 0.028 0.000 1.121 248 G CA 0.846 45.965 45.100 0.032 0.000 0.766 248 G HN 0.619 nan 8.290 nan 0.000 0.553 249 G N -0.447 108.347 108.800 -0.010 0.000 3.337 249 G HA2 0.402 4.360 3.960 -0.003 0.000 0.246 249 G HA3 0.402 4.360 3.960 -0.003 0.000 0.246 249 G C 1.206 176.112 174.900 0.010 0.000 1.131 249 G CA -0.224 44.885 45.100 0.015 0.000 0.773 249 G HN 0.360 nan 8.290 nan 0.000 0.544 250 L N -0.465 120.754 121.223 -0.007 0.000 2.428 250 L HA 0.198 4.537 4.340 -0.003 0.000 0.190 250 L C 2.106 178.999 176.870 0.038 0.000 1.255 250 L CA 0.249 55.087 54.840 -0.003 0.000 0.848 250 L CB -0.461 41.571 42.059 -0.045 0.000 1.088 250 L HN -0.086 nan 8.230 nan 0.000 0.500 251 D N 0.390 120.817 120.400 0.045 0.000 2.133 251 D HA -0.187 4.452 4.640 -0.003 0.000 0.195 251 D C 2.138 178.490 176.300 0.087 0.000 0.997 251 D CA 2.080 56.117 54.000 0.061 0.000 0.840 251 D CB -0.413 40.430 40.800 0.071 0.000 0.947 251 D HN 0.458 nan 8.370 nan 0.000 0.452 252 T N -1.252 113.361 114.554 0.098 0.000 2.684 252 T HA -0.141 4.207 4.350 -0.003 0.000 0.267 252 T C 2.216 177.024 174.700 0.181 0.000 1.036 252 T CA 1.401 63.576 62.100 0.124 0.000 1.148 252 T CB -0.857 68.074 68.868 0.104 0.000 0.863 252 T HN 0.014 nan 8.240 nan 0.000 0.436 253 V N 1.394 121.409 119.914 0.169 0.000 2.307 253 V HA -0.121 3.997 4.120 -0.003 0.000 0.245 253 V C 2.982 179.215 176.094 0.231 0.000 1.045 253 V CA 1.345 63.782 62.300 0.230 0.000 1.024 253 V CB -0.758 31.177 31.823 0.187 0.000 0.651 253 V HN 0.388 nan 8.190 nan 0.000 0.449 254 V N 0.850 120.852 119.914 0.146 0.000 2.252 254 V HA -0.298 3.820 4.120 -0.003 0.000 0.249 254 V C 2.347 178.486 176.094 0.074 0.000 1.056 254 V CA 2.397 64.757 62.300 0.100 0.000 1.022 254 V CB -0.863 30.985 31.823 0.041 0.000 0.641 254 V HN 0.580 nan 8.190 nan 0.000 0.445 255 N N -0.612 118.119 118.700 0.052 0.000 2.142 255 N HA -0.137 4.601 4.740 -0.003 0.000 0.186 255 N C 1.746 177.243 175.510 -0.023 0.000 1.023 255 N CA 1.617 54.626 53.050 -0.069 0.000 0.852 255 N CB -0.432 38.041 38.487 -0.024 0.000 0.998 255 N HN 0.552 nan 8.380 nan 0.000 0.424 256 F N 1.876 121.892 119.950 0.110 0.000 2.134 256 F HA -0.027 4.498 4.527 -0.002 0.000 0.299 256 F C 2.150 178.034 175.800 0.139 0.000 1.097 256 F CA 0.924 59.042 58.000 0.198 0.000 1.264 256 F CB -0.181 38.900 39.000 0.136 0.000 1.001 256 F HN -0.081 nan 8.300 nan 0.000 0.479 257 L N -0.622 120.649 121.223 0.080 0.000 2.083 257 L HA -0.246 4.092 4.340 -0.003 0.000 0.209 257 L C 2.493 179.325 176.870 -0.063 0.000 1.083 257 L CA 1.418 56.296 54.840 0.063 0.000 0.752 257 L CB -0.845 41.444 42.059 0.384 0.000 0.899 257 L HN 0.106 nan 8.230 nan 0.000 0.433 258 S N -0.548 115.143 115.700 -0.014 0.000 2.368 258 S HA -0.105 4.363 4.470 -0.003 0.000 0.224 258 S C 1.760 176.150 174.600 -0.350 0.000 1.029 258 S CA 1.105 59.235 58.200 -0.116 0.000 0.988 258 S CB -0.282 62.837 63.200 -0.135 0.000 0.838 258 S HN 0.210 nan 8.310 nan 0.000 0.462 259 F N 2.269 121.981 119.950 -0.397 0.000 2.134 259 F HA -0.074 4.451 4.527 -0.003 0.000 0.299 259 F C 2.765 178.036 175.800 -0.881 0.000 1.097 259 F CA 0.839 58.467 58.000 -0.619 0.000 1.264 259 F CB -0.993 37.633 39.000 -0.624 0.000 1.001 259 F HN 0.097 nan 8.300 nan 0.000 0.479 260 S N -0.405 114.906 115.700 -0.648 0.000 2.368 260 S HA -0.177 4.291 4.470 -0.003 0.000 0.225 260 S C 2.096 176.487 174.600 -0.349 0.000 1.030 260 S CA 1.174 59.053 58.200 -0.535 0.000 0.999 260 S CB -0.239 62.654 63.200 -0.511 0.000 0.844 260 S HN 0.200 nan 8.310 nan 0.000 0.459 261 M N 1.173 120.472 119.600 -0.502 0.000 2.254 261 M HA 0.017 4.495 4.480 -0.003 0.000 0.265 261 M C 2.200 178.305 176.300 -0.325 0.000 1.066 261 M CA 1.032 55.973 55.300 -0.599 0.000 1.123 261 M CB -1.117 30.650 32.600 -1.389 0.000 1.388 261 M HN 0.446 nan 8.290 nan 0.000 0.425 262 E N 0.114 120.149 120.200 -0.275 0.000 2.051 262 E HA -0.235 4.113 4.350 -0.003 0.000 0.192 262 E C 2.017 178.565 176.600 -0.086 0.000 0.991 262 E CA 1.252 57.576 56.400 -0.127 0.000 0.799 262 E CB -0.238 29.428 29.700 -0.057 0.000 0.748 262 E HN 0.383 nan 8.360 nan 0.000 0.449 263 F N 1.351 121.138 119.950 -0.271 0.000 2.069 263 F HA -0.204 4.322 4.527 -0.002 0.000 0.298 263 F C 2.014 177.759 175.800 -0.090 0.000 1.113 263 F CA 1.533 59.429 58.000 -0.173 0.000 1.214 263 F CB -0.165 38.688 39.000 -0.245 0.000 0.978 263 F HN 0.008 nan 8.300 nan 0.000 0.474 264 L N 0.065 121.169 121.223 -0.198 0.000 2.083 264 L HA -0.197 4.142 4.340 -0.003 0.000 0.209 264 L C 2.798 179.446 176.870 -0.371 0.000 1.083 264 L CA 1.049 55.740 54.840 -0.248 0.000 0.752 264 L CB -1.131 40.950 42.059 0.037 0.000 0.899 264 L HN 0.304 nan 8.230 nan 0.000 0.433 265 A N -0.018 122.679 122.820 -0.206 0.000 1.972 265 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 265 A C 2.200 179.641 177.584 -0.237 0.000 1.169 265 A CA 1.452 53.355 52.037 -0.223 0.000 0.635 265 A CB -0.218 18.828 19.000 0.077 0.000 0.810 265 A HN 0.350 nan 8.150 nan 0.000 0.446 266 K N -0.866 119.389 120.400 -0.242 0.000 2.393 266 K HA 0.136 4.454 4.320 -0.003 0.000 0.193 266 K C 0.225 176.661 176.600 -0.274 0.000 1.026 266 K CA 0.414 56.578 56.287 -0.206 0.000 1.064 266 K CB 0.351 32.773 32.500 -0.130 0.000 0.833 266 K HN 0.228 nan 8.250 nan 0.000 0.521 267 S N 1.291 116.741 115.700 -0.418 0.000 2.399 267 S HA 0.265 4.733 4.470 -0.003 0.000 0.215 267 S C -2.287 172.164 174.600 -0.248 0.000 1.456 267 S CA -1.839 56.146 58.200 -0.357 0.000 1.199 267 S CB 0.738 63.564 63.200 -0.623 0.000 1.063 267 S HN -0.121 nan 8.310 nan 0.000 0.476 268 P HA -0.143 nan 4.420 nan 0.000 0.216 268 P C 1.043 178.266 177.300 -0.130 0.000 1.153 268 P CA 1.256 64.256 63.100 -0.167 0.000 0.858 268 P CB 0.203 31.828 31.700 -0.126 0.000 0.789 269 E N -1.837 118.281 120.200 -0.137 0.000 2.153 269 E HA -0.220 4.128 4.350 -0.003 0.000 0.194 269 E C 1.832 178.295 176.600 -0.228 0.000 0.988 269 E CA 1.081 57.371 56.400 -0.183 0.000 0.811 269 E CB -0.476 29.081 29.700 -0.238 0.000 0.746 269 E HN 0.500 nan 8.360 nan 0.000 0.466 270 H N -0.286 118.721 119.070 -0.104 0.000 2.436 270 H HA 0.093 4.647 4.556 -0.003 0.000 0.294 270 H C 1.999 177.396 175.328 0.115 0.000 1.048 270 H CA 0.823 56.864 56.048 -0.012 0.000 1.353 270 H CB 0.237 29.972 29.762 -0.046 0.000 1.414 270 H HN -0.015 nan 8.280 nan 0.000 0.536 271 R N 0.393 120.943 120.500 0.083 0.000 2.066 271 R HA -0.167 4.171 4.340 -0.003 0.000 0.232 271 R C 2.267 178.606 176.300 0.065 0.000 1.131 271 R CA 1.470 57.602 56.100 0.053 0.000 0.955 271 R CB -0.221 30.009 30.300 -0.115 0.000 0.851 271 R HN 0.439 nan 8.270 nan 0.000 0.432 272 Q N 1.175 120.982 119.800 0.013 0.000 2.096 272 Q HA -0.240 4.098 4.340 -0.003 0.000 0.204 272 Q C 1.996 178.023 176.000 0.046 0.000 0.982 272 Q CA 1.758 57.569 55.803 0.012 0.000 0.850 272 Q CB 0.016 28.739 28.738 -0.024 0.000 0.901 272 Q HN 0.376 nan 8.270 nan 0.000 0.422 273 E N 0.032 120.272 120.200 0.066 0.000 2.058 273 E HA -0.199 4.149 4.350 -0.003 0.000 0.194 273 E C 2.021 178.715 176.600 0.157 0.000 0.997 273 E CA 1.277 57.744 56.400 0.112 0.000 0.801 273 E CB -0.102 29.692 29.700 0.156 0.000 0.746 273 E HN 0.467 nan 8.360 nan 0.000 0.450 274 L N 0.456 121.799 121.223 0.199 0.000 2.291 274 L HA -0.074 4.264 4.340 -0.003 0.000 0.214 274 L C 2.351 179.281 176.870 0.098 0.000 1.120 274 L CA 0.369 55.298 54.840 0.149 0.000 0.799 274 L CB -0.174 41.977 42.059 0.154 0.000 0.925 274 L HN 0.233 nan 8.230 nan 0.000 0.446 275 I N -0.290 120.333 120.570 0.089 0.000 2.333 275 I HA -0.200 3.969 4.170 -0.003 0.000 0.246 275 I C 2.265 178.412 176.117 0.050 0.000 1.106 275 I CA 1.219 62.557 61.300 0.064 0.000 1.411 275 I CB -0.054 37.979 38.000 0.054 0.000 1.082 275 I HN 0.245 nan 8.210 nan 0.000 0.420 276 E N 0.540 120.770 120.200 0.050 0.000 2.170 276 E HA -0.003 4.345 4.350 -0.003 0.000 0.191 276 E C 0.387 177.015 176.600 0.045 0.000 0.981 276 E CA 0.517 56.941 56.400 0.040 0.000 0.830 276 E CB 0.328 30.048 29.700 0.034 0.000 0.775 276 E HN 0.225 nan 8.360 nan 0.000 0.470 277 R N 0.662 121.197 120.500 0.059 0.000 2.724 277 R HA 0.192 4.530 4.340 -0.003 0.000 0.284 277 R C -2.293 174.042 176.300 0.058 0.000 1.481 277 R CA -1.761 54.375 56.100 0.059 0.000 1.652 277 R CB 0.536 30.880 30.300 0.073 0.000 1.175 277 R HN 0.045 nan 8.270 nan 0.000 0.613 278 P HA -0.199 nan 4.420 nan 0.000 0.218 278 P C 1.241 178.561 177.300 0.034 0.000 1.148 278 P CA 1.077 64.202 63.100 0.042 0.000 0.822 278 P CB 0.351 32.074 31.700 0.037 0.000 0.784 279 E N 0.434 120.655 120.200 0.035 0.000 2.409 279 E HA -0.175 4.174 4.350 -0.003 0.000 0.198 279 E C 1.452 178.069 176.600 0.027 0.000 1.024 279 E CA 1.010 57.428 56.400 0.031 0.000 0.861 279 E CB -0.655 29.064 29.700 0.032 0.000 0.788 279 E HN 0.315 nan 8.360 nan 0.000 0.521 280 R N 0.253 120.771 120.500 0.030 0.000 2.310 280 R HA 0.255 4.593 4.340 -0.003 0.000 0.202 280 R C 2.320 178.588 176.300 -0.053 0.000 0.933 280 R CA 0.139 56.249 56.100 0.018 0.000 1.054 280 R CB -0.120 30.221 30.300 0.068 0.000 0.985 280 R HN 0.214 nan 8.270 nan 0.000 0.489 281 I N 1.468 122.012 120.570 -0.044 0.000 2.208 281 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 281 I C -0.775 175.298 176.117 -0.073 0.000 1.097 281 I CA 1.483 62.736 61.300 -0.080 0.000 1.363 281 I CB -1.062 36.927 38.000 -0.018 0.000 1.051 281 I HN 0.035 nan 8.210 nan 0.000 0.413 282 P HA -0.146 nan 4.420 nan 0.000 0.216 282 P C 1.514 178.807 177.300 -0.011 0.000 1.153 282 P CA 1.733 64.835 63.100 0.004 0.000 0.848 282 P CB 0.006 31.721 31.700 0.025 0.000 0.787 283 A N -0.023 122.782 122.820 -0.025 0.000 1.902 283 A HA -0.099 4.219 4.320 -0.003 0.000 0.217 283 A C 2.301 179.832 177.584 -0.088 0.000 1.181 283 A CA 1.993 54.021 52.037 -0.015 0.000 0.623 283 A CB -1.603 17.408 19.000 0.019 0.000 0.818 283 A HN 0.179 nan 8.150 nan 0.000 0.443 284 A N -0.905 121.742 122.820 -0.288 0.000 1.902 284 A HA -0.220 4.098 4.320 -0.003 0.000 0.217 284 A C 2.408 179.806 177.584 -0.310 0.000 1.181 284 A CA 1.726 53.330 52.037 -0.723 0.000 0.623 284 A CB -1.482 16.716 19.000 -1.338 0.000 0.818 284 A HN 0.920 nan 8.150 nan 0.000 0.443 285 C N -0.571 118.646 119.300 -0.137 0.000 2.413 285 C HA -0.139 4.319 4.460 -0.003 0.000 0.276 285 C C 2.572 177.590 174.990 0.046 0.000 1.236 285 C CA 1.903 60.934 59.018 0.023 0.000 1.735 285 C CB -1.066 26.711 27.740 0.062 0.000 2.031 285 C HN 0.682 nan 8.230 nan 0.000 0.474 286 E N 0.638 120.854 120.200 0.027 0.000 2.072 286 E HA -0.180 4.168 4.350 -0.003 0.000 0.191 286 E C 2.062 178.667 176.600 0.008 0.000 0.985 286 E CA 1.807 58.233 56.400 0.043 0.000 0.801 286 E CB -0.373 29.386 29.700 0.098 0.000 0.750 286 E HN 0.780 nan 8.360 nan 0.000 0.452 287 E N -0.024 120.195 120.200 0.031 0.000 2.106 287 E HA -0.116 4.232 4.350 -0.003 0.000 0.192 287 E C 1.906 178.494 176.600 -0.020 0.000 0.984 287 E CA 1.099 57.517 56.400 0.031 0.000 0.806 287 E CB -0.295 29.494 29.700 0.149 0.000 0.750 287 E HN 0.342 nan 8.360 nan 0.000 0.458 288 L N -0.062 121.205 121.223 0.073 0.000 2.093 288 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 288 L C 2.518 179.565 176.870 0.295 0.000 1.085 288 L CA 0.822 55.783 54.840 0.202 0.000 0.755 288 L CB -0.412 41.833 42.059 0.312 0.000 0.904 288 L HN 0.208 nan 8.230 nan 0.000 0.435 289 L N -0.478 120.808 121.223 0.105 0.000 2.127 289 L HA -0.229 4.110 4.340 -0.003 0.000 0.211 289 L C 2.867 179.462 176.870 -0.458 0.000 1.089 289 L CA 1.199 55.833 54.840 -0.344 0.000 0.757 289 L CB -0.424 41.233 42.059 -0.668 0.000 0.899 289 L HN 0.270 nan 8.230 nan 0.000 0.434 290 R N 0.079 120.342 120.500 -0.394 0.000 2.055 290 R HA -0.176 4.162 4.340 -0.003 0.000 0.228 290 R C 2.488 178.598 176.300 -0.317 0.000 1.143 290 R CA 1.267 57.167 56.100 -0.334 0.000 0.945 290 R CB -0.099 30.111 30.300 -0.150 0.000 0.841 290 R HN 0.048 nan 8.270 nan 0.000 0.429 291 R N 0.117 120.374 120.500 -0.405 0.000 2.096 291 R HA -0.080 4.259 4.340 -0.003 0.000 0.235 291 R C 0.874 176.637 176.300 -0.896 0.000 1.127 291 R CA 1.647 57.319 56.100 -0.714 0.000 0.968 291 R CB -0.321 29.358 30.300 -1.036 0.000 0.861 291 R HN 0.283 nan 8.270 nan 0.000 0.440 292 F N 0.192 120.015 119.950 -0.210 0.000 2.750 292 F HA 0.383 4.908 4.527 -0.003 0.000 0.297 292 F C 0.586 176.247 175.800 -0.231 0.000 1.138 292 F CA -0.555 57.255 58.000 -0.317 0.000 1.346 292 F CB 0.183 38.987 39.000 -0.327 0.000 0.965 292 F HN -0.131 nan 8.300 nan 0.000 0.514 293 S N 1.877 117.474 115.700 -0.173 0.000 2.554 293 S HA 0.095 4.563 4.470 -0.003 0.000 0.290 293 S C 0.922 175.369 174.600 -0.254 0.000 1.309 293 S CA 0.123 58.181 58.200 -0.236 0.000 1.047 293 S CB 0.428 63.454 63.200 -0.290 0.000 0.828 293 S HN 0.560 nan 8.310 nan 0.000 0.509 294 L N 2.295 123.399 121.223 -0.198 0.000 3.515 294 L HA 0.560 4.898 4.340 -0.003 0.000 0.322 294 L C -0.750 176.011 176.870 -0.182 0.000 1.225 294 L CA -0.521 54.223 54.840 -0.161 0.000 1.104 294 L CB 0.207 42.332 42.059 0.110 0.000 1.506 294 L HN 0.335 nan 8.230 nan 0.000 0.624 295 V N 1.942 121.731 119.914 -0.208 0.000 2.612 295 V HA 0.842 4.960 4.120 -0.003 0.000 0.301 295 V C 0.261 176.207 176.094 -0.248 0.000 1.046 295 V CA 0.080 62.271 62.300 -0.182 0.000 0.946 295 V CB 1.445 33.190 31.823 -0.129 0.000 1.003 295 V HN 0.356 nan 8.190 nan 0.000 0.459 296 A N 3.449 126.145 122.820 -0.207 0.000 2.611 296 A HA 0.696 5.014 4.320 -0.003 0.000 0.282 296 A C -0.936 176.604 177.584 -0.074 0.000 1.114 296 A CA -0.634 51.301 52.037 -0.170 0.000 0.800 296 A CB 0.762 19.555 19.000 -0.345 0.000 1.325 296 A HN 0.872 nan 8.150 nan 0.000 0.411 297 D N 1.151 121.520 120.400 -0.052 0.000 2.801 297 D HA 0.856 5.494 4.640 -0.003 0.000 0.277 297 D C 0.455 176.753 176.300 -0.003 0.000 1.125 297 D CA 0.041 53.989 54.000 -0.087 0.000 1.102 297 D CB 1.016 41.679 40.800 -0.227 0.000 1.400 297 D HN 0.779 nan 8.370 nan 0.000 0.601 298 G N -1.762 107.019 108.800 -0.032 0.000 2.947 298 G HA2 0.635 4.593 3.960 -0.003 0.000 0.293 298 G HA3 0.635 4.593 3.960 -0.003 0.000 0.293 298 G C -0.940 173.967 174.900 0.012 0.000 1.243 298 G CA -0.731 44.364 45.100 -0.008 0.000 0.802 298 G HN 0.409 nan 8.290 nan 0.000 0.560 299 R N -1.333 119.181 120.500 0.022 0.000 2.846 299 R HA 0.626 4.964 4.340 -0.003 0.000 0.263 299 R C -1.381 175.010 176.300 0.151 0.000 1.080 299 R CA -0.761 55.393 56.100 0.091 0.000 0.961 299 R CB 1.457 31.831 30.300 0.122 0.000 1.231 299 R HN 0.601 nan 8.270 nan 0.000 0.465 300 I N 1.174 121.846 120.570 0.171 0.000 2.608 300 I HA 0.291 4.459 4.170 -0.003 0.000 0.295 300 I C -0.803 175.398 176.117 0.140 0.000 1.049 300 I CA -1.035 60.365 61.300 0.167 0.000 1.063 300 I CB 1.403 39.476 38.000 0.122 0.000 1.248 300 I HN 0.207 nan 8.210 nan 0.000 0.424 301 L N 6.567 127.868 121.223 0.130 0.000 2.418 301 L HA 0.116 4.454 4.340 -0.003 0.000 0.274 301 L C 1.647 178.510 176.870 -0.012 0.000 1.135 301 L CA 0.464 55.304 54.840 -0.001 0.000 0.870 301 L CB 0.948 43.043 42.059 0.059 0.000 1.154 301 L HN 0.834 nan 8.230 nan 0.000 0.462 302 T N -1.150 113.354 114.554 -0.084 0.000 3.023 302 T HA 0.022 4.370 4.350 -0.003 0.000 0.266 302 T C 0.781 175.460 174.700 -0.035 0.000 1.093 302 T CA 0.615 62.682 62.100 -0.055 0.000 1.129 302 T CB 0.150 68.959 68.868 -0.099 0.000 0.899 302 T HN 0.639 nan 8.240 nan 0.000 0.491 303 S N -0.430 115.253 115.700 -0.029 0.000 2.636 303 S HA 0.436 4.904 4.470 -0.003 0.000 0.268 303 S C -2.094 172.535 174.600 0.048 0.000 1.159 303 S CA -1.165 57.042 58.200 0.012 0.000 0.815 303 S CB 0.918 64.126 63.200 0.013 0.000 1.130 303 S HN 0.041 nan 8.310 nan 0.000 0.471 304 D N 1.253 121.687 120.400 0.058 0.000 2.493 304 D HA 0.439 5.078 4.640 -0.003 0.000 0.240 304 D C -0.882 175.505 176.300 0.145 0.000 1.142 304 D CA 1.126 55.171 54.000 0.074 0.000 0.872 304 D CB -0.008 40.819 40.800 0.045 0.000 1.173 304 D HN 0.527 nan 8.370 nan 0.000 0.467 305 Y N 0.637 120.901 120.300 -0.060 0.000 2.482 305 Y HA 0.198 4.747 4.550 -0.002 0.000 0.334 305 Y C -1.137 174.717 175.900 -0.077 0.000 1.091 305 Y CA -1.018 57.007 58.100 -0.125 0.000 1.027 305 Y CB 1.451 39.735 38.460 -0.294 0.000 1.306 305 Y HN 0.288 nan 8.280 nan 0.000 0.446 306 E N 5.935 125.800 120.200 -0.559 0.000 2.081 306 E HA 0.294 4.642 4.350 -0.003 0.000 0.281 306 E C -1.932 174.236 176.600 -0.721 0.000 0.986 306 E CA -0.495 55.626 56.400 -0.464 0.000 0.796 306 E CB 0.548 30.083 29.700 -0.274 0.000 1.085 306 E HN 0.466 nan 8.360 nan 0.000 0.398 307 F N 5.148 124.749 119.950 -0.582 0.000 2.427 307 F HA 0.248 4.773 4.527 -0.003 0.000 0.348 307 F C -0.196 175.547 175.800 -0.096 0.000 1.125 307 F CA -0.610 57.183 58.000 -0.346 0.000 0.989 307 F CB 0.466 39.431 39.000 -0.059 0.000 1.165 307 F HN 0.630 nan 8.300 nan 0.000 0.442 308 H N 4.240 122.970 119.070 -0.566 0.000 2.677 308 H HA -0.190 4.364 4.556 -0.003 0.000 0.321 308 H C 1.418 176.589 175.328 -0.260 0.000 1.171 308 H CA 1.014 56.784 56.048 -0.464 0.000 1.139 308 H CB -0.967 28.425 29.762 -0.616 0.000 1.515 308 H HN 1.170 nan 8.280 nan 0.000 0.423 309 G N -0.908 107.796 108.800 -0.160 0.000 2.189 309 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.267 309 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.267 309 G C 0.311 175.175 174.900 -0.061 0.000 0.975 309 G CA 0.441 45.484 45.100 -0.094 0.000 0.644 309 G HN 0.490 nan 8.290 nan 0.000 0.537 310 V N 0.405 120.264 119.914 -0.090 0.000 2.459 310 V HA 0.613 4.732 4.120 -0.003 0.000 0.295 310 V C 0.271 176.294 176.094 -0.118 0.000 1.029 310 V CA -0.819 61.424 62.300 -0.095 0.000 0.874 310 V CB 1.855 33.568 31.823 -0.183 0.000 0.985 310 V HN 0.324 nan 8.190 nan 0.000 0.438 311 Q N 4.186 123.965 119.800 -0.036 0.000 2.314 311 Q HA 0.499 4.837 4.340 -0.003 0.000 0.257 311 Q C -1.147 174.914 176.000 0.102 0.000 0.975 311 Q CA 0.187 56.001 55.803 0.019 0.000 0.933 311 Q CB 0.773 29.562 28.738 0.085 0.000 1.195 311 Q HN 0.686 nan 8.270 nan 0.000 0.426 312 L N 3.606 124.853 121.223 0.041 0.000 2.295 312 L HA 0.532 4.870 4.340 -0.003 0.000 0.285 312 L C 0.153 177.138 176.870 0.192 0.000 1.035 312 L CA -0.827 54.094 54.840 0.136 0.000 0.806 312 L CB 1.458 43.508 42.059 -0.016 0.000 1.214 312 L HN 0.489 nan 8.230 nan 0.000 0.426 313 K N 2.961 123.507 120.400 0.244 0.000 2.118 313 K HA 0.228 4.546 4.320 -0.003 0.000 0.267 313 K C -0.176 176.473 176.600 0.082 0.000 0.991 313 K CA -0.741 55.548 56.287 0.003 0.000 0.916 313 K CB 1.242 33.487 32.500 -0.425 0.000 1.041 313 K HN 0.441 nan 8.250 nan 0.000 0.455 314 K N 1.857 122.279 120.400 0.036 0.000 2.472 314 K HA -0.032 4.286 4.320 -0.003 0.000 0.280 314 K C 0.468 177.112 176.600 0.073 0.000 1.028 314 K CA 1.405 57.721 56.287 0.049 0.000 1.045 314 K CB -0.007 32.508 32.500 0.025 0.000 0.902 314 K HN 0.855 nan 8.250 nan 0.000 0.478 315 G N 3.139 112.000 108.800 0.100 0.000 2.213 315 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.236 315 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.236 315 G C -0.366 174.651 174.900 0.195 0.000 0.991 315 G CA 0.071 45.244 45.100 0.122 0.000 0.629 315 G HN 0.716 nan 8.290 nan 0.000 0.517 316 D N 1.533 122.098 120.400 0.274 0.000 2.424 316 D HA 0.449 5.087 4.640 -0.003 0.000 0.244 316 D C 0.822 177.368 176.300 0.410 0.000 1.134 316 D CA 0.528 54.797 54.000 0.448 0.000 0.881 316 D CB 0.579 41.806 40.800 0.713 0.000 1.191 316 D HN 0.500 nan 8.370 nan 0.000 0.445 317 Q N 1.073 121.109 119.800 0.392 0.000 2.241 317 Q HA 0.562 4.901 4.340 -0.003 0.000 0.254 317 Q C -0.360 175.869 176.000 0.380 0.000 0.917 317 Q CA -0.447 55.526 55.803 0.284 0.000 0.919 317 Q CB 2.279 31.107 28.738 0.149 0.000 1.237 317 Q HN 0.463 nan 8.270 nan 0.000 0.434 318 I N 3.312 124.059 120.570 0.295 0.000 2.439 318 I HA 0.247 4.415 4.170 -0.003 0.000 0.285 318 I C -1.547 174.640 176.117 0.116 0.000 1.021 318 I CA -1.153 60.329 61.300 0.302 0.000 1.091 318 I CB 0.993 39.150 38.000 0.262 0.000 1.242 318 I HN 0.514 nan 8.210 nan 0.000 0.439 319 L N 8.478 129.791 121.223 0.149 0.000 2.360 319 L HA 0.358 4.696 4.340 -0.003 0.000 0.276 319 L C -1.039 175.851 176.870 0.034 0.000 1.121 319 L CA 0.386 55.269 54.840 0.071 0.000 0.845 319 L CB 0.652 42.799 42.059 0.147 0.000 1.143 319 L HN 0.554 nan 8.230 nan 0.000 0.452 320 L N 7.651 128.853 121.223 -0.034 0.000 2.502 320 L HA 0.384 4.722 4.340 -0.003 0.000 0.247 320 L C -2.172 174.738 176.870 0.066 0.000 1.180 320 L CA -1.733 53.042 54.840 -0.108 0.000 0.956 320 L CB 0.777 42.512 42.059 -0.540 0.000 1.282 320 L HN 0.493 nan 8.230 nan 0.000 0.470 321 P HA -0.005 nan 4.420 nan 0.000 0.256 321 P C 0.286 177.573 177.300 -0.022 0.000 1.189 321 P CA 0.188 63.290 63.100 0.004 0.000 0.808 321 P CB 0.694 32.418 31.700 0.039 0.000 0.793 322 Q N 2.627 122.408 119.800 -0.031 0.000 2.234 322 Q HA -0.180 4.158 4.340 -0.003 0.000 0.206 322 Q C 1.877 177.798 176.000 -0.131 0.000 0.980 322 Q CA 1.513 57.285 55.803 -0.051 0.000 0.869 322 Q CB -0.490 28.187 28.738 -0.102 0.000 0.912 322 Q HN 0.535 nan 8.270 nan 0.000 0.436 323 M N -0.423 119.039 119.600 -0.229 0.000 2.159 323 M HA -0.166 4.313 4.480 -0.003 0.000 0.263 323 M C 1.408 177.587 176.300 -0.201 0.000 1.063 323 M CA 1.465 56.593 55.300 -0.287 0.000 1.110 323 M CB 0.045 32.346 32.600 -0.497 0.000 1.374 323 M HN 0.289 nan 8.290 nan 0.000 0.411 324 L N -0.569 120.568 121.223 -0.143 0.000 2.156 324 L HA -0.135 4.204 4.340 -0.003 0.000 0.208 324 L C 2.418 179.242 176.870 -0.077 0.000 1.095 324 L CA 0.720 55.509 54.840 -0.085 0.000 0.770 324 L CB -0.586 41.449 42.059 -0.040 0.000 0.914 324 L HN 0.308 nan 8.230 nan 0.000 0.439 325 S N 0.439 116.098 115.700 -0.068 0.000 2.365 325 S HA -0.193 4.276 4.470 -0.003 0.000 0.225 325 S C 1.968 176.533 174.600 -0.057 0.000 1.039 325 S CA 1.585 59.747 58.200 -0.062 0.000 1.033 325 S CB -0.685 62.480 63.200 -0.059 0.000 0.887 325 S HN 0.619 nan 8.310 nan 0.000 0.447 326 G N 0.692 109.462 108.800 -0.050 0.000 2.484 326 G HA2 0.034 3.992 3.960 -0.003 0.000 0.218 326 G HA3 0.034 3.992 3.960 -0.003 0.000 0.218 326 G C 1.132 175.986 174.900 -0.078 0.000 1.130 326 G CA 0.168 45.243 45.100 -0.041 0.000 0.784 326 G HN 0.455 nan 8.290 nan 0.000 0.543 327 L N 0.281 121.447 121.223 -0.094 0.000 2.558 327 L HA 0.162 4.500 4.340 -0.003 0.000 0.225 327 L C 0.542 177.370 176.870 -0.070 0.000 1.128 327 L CA -0.260 54.523 54.840 -0.096 0.000 0.868 327 L CB 0.026 42.024 42.059 -0.101 0.000 1.006 327 L HN 0.028 nan 8.230 nan 0.000 0.454 328 D N 1.583 121.944 120.400 -0.064 0.000 2.371 328 D HA -0.061 4.577 4.640 -0.003 0.000 0.256 328 D C 1.297 177.568 176.300 -0.048 0.000 1.193 328 D CA 0.038 54.003 54.000 -0.058 0.000 0.881 328 D CB 1.100 41.862 40.800 -0.063 0.000 1.143 328 D HN 0.362 nan 8.370 nan 0.000 0.473 329 E N 3.470 123.645 120.200 -0.043 0.000 2.267 329 E HA -0.232 4.117 4.350 -0.003 0.000 0.197 329 E C 1.186 177.768 176.600 -0.030 0.000 0.998 329 E CA 0.797 57.178 56.400 -0.033 0.000 0.830 329 E CB -0.042 29.640 29.700 -0.029 0.000 0.751 329 E HN 0.438 nan 8.360 nan 0.000 0.491 330 R N 0.562 121.040 120.500 -0.036 0.000 2.189 330 R HA -0.002 4.337 4.340 -0.003 0.000 0.218 330 R C 1.842 178.124 176.300 -0.031 0.000 1.074 330 R CA 1.274 57.354 56.100 -0.033 0.000 0.991 330 R CB 0.016 30.293 30.300 -0.039 0.000 0.883 330 R HN 0.359 nan 8.270 nan 0.000 0.457 331 E N -0.247 119.932 120.200 -0.035 0.000 2.201 331 E HA 0.099 4.447 4.350 -0.003 0.000 0.193 331 E C -0.081 176.505 176.600 -0.023 0.000 0.957 331 E CA 0.319 56.699 56.400 -0.033 0.000 0.858 331 E CB 0.474 30.149 29.700 -0.042 0.000 0.816 331 E HN 0.219 nan 8.360 nan 0.000 0.475 332 N N 0.435 119.121 118.700 -0.023 0.000 2.454 332 N HA 0.293 5.031 4.740 -0.003 0.000 0.291 332 N C -1.198 174.306 175.510 -0.011 0.000 1.079 332 N CA -0.215 52.826 53.050 -0.015 0.000 0.893 332 N CB 2.121 40.596 38.487 -0.019 0.000 1.512 332 N HN -0.036 nan 8.380 nan 0.000 0.497 333 A N 1.540 124.360 122.820 -0.000 0.000 2.511 333 A HA 0.486 4.804 4.320 -0.003 0.000 0.242 333 A C 0.998 178.590 177.584 0.013 0.000 1.069 333 A CA 0.474 52.513 52.037 0.003 0.000 0.763 333 A CB -0.199 18.805 19.000 0.007 0.000 1.001 333 A HN 1.216 nan 8.150 nan 0.000 0.498 334 A N 3.492 126.315 122.820 0.006 0.000 2.362 334 A HA -0.093 4.225 4.320 -0.003 0.000 0.290 334 A C -0.473 177.127 177.584 0.027 0.000 1.441 334 A CA 0.550 52.597 52.037 0.017 0.000 0.743 334 A CB -1.534 17.478 19.000 0.020 0.000 1.125 334 A HN 0.825 nan 8.150 nan 0.000 0.378 335 P HA -0.220 nan 4.420 nan 0.000 0.217 335 P C 1.279 178.531 177.300 -0.080 0.000 1.148 335 P CA 1.518 64.590 63.100 -0.047 0.000 0.828 335 P CB -0.091 31.576 31.700 -0.055 0.000 0.783 336 M N -1.817 117.754 119.600 -0.047 0.000 2.619 336 M HA 0.008 4.486 4.480 -0.003 0.000 0.251 336 M C 1.263 177.537 176.300 -0.043 0.000 1.106 336 M CA 0.391 55.649 55.300 -0.071 0.000 1.086 336 M CB -1.672 30.915 32.600 -0.023 0.000 1.465 336 M HN 0.113 nan 8.290 nan 0.000 0.506 337 H N 0.854 119.863 119.070 -0.101 0.000 2.527 337 H HA 0.315 4.869 4.556 -0.003 0.000 0.321 337 H C -1.089 174.157 175.328 -0.136 0.000 1.087 337 H CA -0.384 55.617 56.048 -0.078 0.000 1.337 337 H CB 1.493 31.236 29.762 -0.033 0.000 1.440 337 H HN -0.183 nan 8.280 nan 0.000 0.490 338 V N 5.950 125.471 119.914 -0.654 0.000 2.385 338 V HA 0.021 4.140 4.120 -0.003 0.000 0.269 338 V C 0.070 175.704 176.094 -0.767 0.000 1.043 338 V CA -0.113 61.779 62.300 -0.681 0.000 0.906 338 V CB 0.985 32.286 31.823 -0.869 0.000 0.995 338 V HN 0.723 nan 8.190 nan 0.000 0.467 339 D N 4.325 124.472 120.400 -0.421 0.000 2.473 339 D HA 0.341 4.979 4.640 -0.003 0.000 0.253 339 D C 0.444 176.800 176.300 0.093 0.000 1.233 339 D CA -0.560 53.332 54.000 -0.181 0.000 0.908 339 D CB 1.002 41.778 40.800 -0.041 0.000 1.170 339 D HN 0.206 nan 8.370 nan 0.000 0.558 340 F N 1.333 121.323 119.950 0.067 0.000 2.408 340 F HA -0.021 4.505 4.527 -0.003 0.000 0.300 340 F C 2.183 178.018 175.800 0.058 0.000 1.090 340 F CA 0.463 58.506 58.000 0.071 0.000 1.427 340 F CB -0.541 38.536 39.000 0.128 0.000 1.070 340 F HN 0.292 nan 8.300 nan 0.000 0.549 341 S N -0.840 114.996 115.700 0.227 0.000 2.597 341 S HA 0.065 4.533 4.470 -0.003 0.000 0.224 341 S C 0.868 175.534 174.600 0.109 0.000 0.955 341 S CA -0.494 57.794 58.200 0.146 0.000 0.933 341 S CB -0.313 62.958 63.200 0.117 0.000 0.788 341 S HN 0.168 nan 8.310 nan 0.000 0.488 342 R N 2.243 122.807 120.500 0.108 0.000 2.486 342 R HA -0.008 4.330 4.340 -0.003 0.000 0.303 342 R C 1.541 177.881 176.300 0.067 0.000 0.958 342 R CA 0.179 56.326 56.100 0.077 0.000 1.077 342 R CB 0.193 30.531 30.300 0.063 0.000 0.921 342 R HN 0.209 nan 8.270 nan 0.000 0.406 343 Q N 3.094 122.927 119.800 0.055 0.000 2.045 343 Q HA -0.198 4.140 4.340 -0.003 0.000 0.206 343 Q C 0.002 176.025 176.000 0.038 0.000 0.991 343 Q CA 1.835 57.664 55.803 0.044 0.000 0.851 343 Q CB 0.091 28.850 28.738 0.036 0.000 0.911 343 Q HN 0.544 nan 8.270 nan 0.000 0.418 344 K N 0.275 120.695 120.400 0.033 0.000 2.575 344 K HA 0.287 4.605 4.320 -0.003 0.000 0.236 344 K C -1.476 175.139 176.600 0.025 0.000 0.976 344 K CA -0.238 56.063 56.287 0.025 0.000 0.985 344 K CB 1.298 33.806 32.500 0.014 0.000 1.198 344 K HN -0.201 nan 8.250 nan 0.000 0.464 345 V N 3.216 123.152 119.914 0.038 0.000 2.370 345 V HA 0.099 4.217 4.120 -0.003 0.000 0.257 345 V C 0.142 176.258 176.094 0.036 0.000 1.064 345 V CA -0.279 62.055 62.300 0.057 0.000 0.975 345 V CB 0.647 32.529 31.823 0.098 0.000 1.067 345 V HN 0.715 nan 8.190 nan 0.000 0.485 346 S N 5.201 120.909 115.700 0.012 0.000 2.442 346 S HA 0.734 5.202 4.470 -0.003 0.000 0.297 346 S C -0.573 174.024 174.600 -0.005 0.000 1.131 346 S CA -0.452 57.719 58.200 -0.047 0.000 1.092 346 S CB 0.314 63.489 63.200 -0.042 0.000 0.998 346 S HN 1.110 nan 8.310 nan 0.000 0.478 347 H N 0.042 119.077 119.070 -0.057 0.000 2.917 347 H HA 0.519 5.074 4.556 -0.002 0.000 0.299 347 H C -0.670 174.615 175.328 -0.072 0.000 1.418 347 H CA -0.391 55.605 56.048 -0.088 0.000 1.138 347 H CB 0.735 30.425 29.762 -0.121 0.000 1.830 347 H HN 0.329 nan 8.280 nan 0.000 0.514 348 T N -2.349 112.277 114.554 0.120 0.000 3.697 348 T HA 0.195 4.543 4.350 -0.003 0.000 0.260 348 T C 0.302 175.045 174.700 0.072 0.000 0.998 348 T CA 0.063 62.210 62.100 0.079 0.000 1.128 348 T CB -0.371 68.497 68.868 -0.000 0.000 1.082 348 T HN 0.624 nan 8.240 nan 0.000 0.541 349 T N 1.126 115.767 114.554 0.144 0.000 2.833 349 T HA 0.049 4.397 4.350 -0.003 0.000 0.269 349 T C 0.549 175.026 174.700 -0.372 0.000 1.054 349 T CA 1.246 63.164 62.100 -0.304 0.000 1.135 349 T CB -0.363 68.056 68.868 -0.747 0.000 0.869 349 T HN 0.503 nan 8.240 nan 0.000 0.466 350 F N 1.035 120.969 119.950 -0.027 0.000 2.693 350 F HA 0.460 4.986 4.527 -0.002 0.000 0.303 350 F C 1.624 177.368 175.800 -0.093 0.000 1.097 350 F CA -0.145 57.809 58.000 -0.077 0.000 1.330 350 F CB -0.369 38.587 39.000 -0.075 0.000 1.067 350 F HN 0.295 nan 8.300 nan 0.000 0.565 351 G N -0.174 108.638 108.800 0.021 0.000 2.610 351 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.304 351 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.304 351 G C -1.579 173.298 174.900 -0.039 0.000 1.309 351 G CA -0.751 44.272 45.100 -0.129 0.000 0.906 351 G HN 0.458 nan 8.290 nan 0.000 0.521 352 H N -0.965 117.915 119.070 -0.317 0.000 3.064 352 H HA 0.697 5.252 4.556 -0.002 0.000 0.352 352 H C 0.524 175.811 175.328 -0.069 0.000 1.260 352 H CA 1.825 57.798 56.048 -0.125 0.000 1.160 352 H CB 1.427 31.183 29.762 -0.010 0.000 1.879 352 H HN 2.667 nan 8.280 nan 0.000 0.544 353 G N 0.865 109.427 108.800 -0.397 0.000 2.615 353 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 353 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 353 G C 1.107 175.979 174.900 -0.047 0.000 1.339 353 G CA 0.512 45.541 45.100 -0.118 0.000 0.884 353 G HN 1.367 nan 8.290 nan 0.000 0.559 354 S N -1.236 114.485 115.700 0.035 0.000 2.442 354 S HA -0.100 4.368 4.470 -0.003 0.000 0.236 354 S C 1.403 175.894 174.600 -0.181 0.000 1.007 354 S CA 1.977 60.129 58.200 -0.080 0.000 0.965 354 S CB -0.289 62.818 63.200 -0.154 0.000 0.773 354 S HN 0.751 nan 8.310 nan 0.000 0.504 355 H N 0.312 119.359 119.070 -0.038 0.000 2.529 355 H HA 0.358 4.913 4.556 -0.001 0.000 0.277 355 H C 0.474 175.760 175.328 -0.069 0.000 1.004 355 H CA -0.349 55.674 56.048 -0.042 0.000 1.167 355 H CB -0.014 29.732 29.762 -0.027 0.000 1.445 355 H HN 0.376 nan 8.280 nan 0.000 0.554 356 L N 1.644 122.859 121.223 -0.014 0.000 2.640 356 L HA -0.092 4.246 4.340 -0.003 0.000 0.280 356 L C 0.552 177.403 176.870 -0.032 0.000 1.229 356 L CA 0.059 54.881 54.840 -0.031 0.000 0.919 356 L CB 0.336 42.364 42.059 -0.051 0.000 1.168 356 L HN 0.307 nan 8.230 nan 0.000 0.496 357 C N 6.140 125.434 119.300 -0.009 0.000 1.912 357 C HA -0.116 4.342 4.460 -0.003 0.000 0.414 357 C C 1.843 176.745 174.990 -0.147 0.000 1.545 357 C CA -0.073 58.919 59.018 -0.044 0.000 1.468 357 C CB -1.311 26.438 27.740 0.013 0.000 2.697 357 C HN 0.897 nan 8.230 nan 0.000 0.597 358 L N 5.054 126.229 121.223 -0.081 0.000 2.291 358 L HA 0.081 4.419 4.340 -0.003 0.000 0.214 358 L C 2.357 179.157 176.870 -0.116 0.000 1.120 358 L CA 1.457 56.251 54.840 -0.077 0.000 0.799 358 L CB -0.337 41.714 42.059 -0.014 0.000 0.925 358 L HN 0.940 nan 8.230 nan 0.000 0.446 359 G N -0.758 107.958 108.800 -0.140 0.000 3.284 359 G HA2 -0.001 3.958 3.960 -0.003 0.000 0.236 359 G HA3 -0.001 3.958 3.960 -0.003 0.000 0.236 359 G C 1.294 175.996 174.900 -0.329 0.000 1.158 359 G CA -0.031 44.981 45.100 -0.145 0.000 0.774 359 G HN 0.503 nan 8.290 nan 0.000 0.545 360 Q N -0.231 119.170 119.800 -0.664 0.000 2.135 360 Q HA -0.204 4.135 4.340 -0.003 0.000 0.204 360 Q C 1.769 177.279 176.000 -0.816 0.000 0.981 360 Q CA 1.442 56.486 55.803 -1.266 0.000 0.856 360 Q CB -0.503 27.287 28.738 -1.579 0.000 0.902 360 Q HN 0.471 nan 8.270 nan 0.000 0.425 361 H N 0.218 119.110 119.070 -0.297 0.000 2.395 361 H HA -0.035 4.520 4.556 -0.003 0.000 0.299 361 H C 2.136 177.410 175.328 -0.091 0.000 1.070 361 H CA 1.300 57.254 56.048 -0.157 0.000 1.356 361 H CB -0.134 29.562 29.762 -0.110 0.000 1.401 361 H HN 0.267 nan 8.280 nan 0.000 0.524 362 L N 1.237 122.461 121.223 0.002 0.000 2.056 362 L HA 0.005 4.343 4.340 -0.003 0.000 0.207 362 L C 2.536 179.422 176.870 0.027 0.000 1.078 362 L CA 1.635 56.483 54.840 0.014 0.000 0.749 362 L CB -0.850 41.209 42.059 0.001 0.000 0.901 362 L HN 0.161 nan 8.230 nan 0.000 0.433 363 A N -0.232 122.585 122.820 -0.004 0.000 1.865 363 A HA -0.238 4.080 4.320 -0.003 0.000 0.217 363 A C 2.439 180.111 177.584 0.147 0.000 1.191 363 A CA 1.929 54.022 52.037 0.093 0.000 0.623 363 A CB -0.605 18.486 19.000 0.150 0.000 0.826 363 A HN 0.487 nan 8.150 nan 0.000 0.444 364 R N -1.398 119.164 120.500 0.103 0.000 2.091 364 R HA -0.145 4.193 4.340 -0.003 0.000 0.238 364 R C 2.457 178.843 176.300 0.143 0.000 1.136 364 R CA 1.622 57.806 56.100 0.139 0.000 0.959 364 R CB -0.264 30.099 30.300 0.105 0.000 0.856 364 R HN 0.400 nan 8.270 nan 0.000 0.437 365 R N 1.366 121.939 120.500 0.122 0.000 2.092 365 R HA -0.098 4.241 4.340 -0.003 0.000 0.231 365 R C 1.733 178.152 176.300 0.198 0.000 1.119 365 R CA 1.581 57.761 56.100 0.134 0.000 0.970 365 R CB -0.135 30.225 30.300 0.101 0.000 0.864 365 R HN 0.290 nan 8.270 nan 0.000 0.440 366 E N -0.394 119.941 120.200 0.226 0.000 2.077 366 E HA -0.171 4.177 4.350 -0.003 0.000 0.193 366 E C 1.955 178.819 176.600 0.441 0.000 0.989 366 E CA 1.544 58.179 56.400 0.393 0.000 0.800 366 E CB -0.147 29.743 29.700 0.317 0.000 0.746 366 E HN 0.358 nan 8.360 nan 0.000 0.452 367 I N 0.868 121.637 120.570 0.331 0.000 2.163 367 I HA -0.263 3.906 4.170 -0.003 0.000 0.240 367 I C 2.384 178.630 176.117 0.214 0.000 1.081 367 I CA 1.031 62.514 61.300 0.305 0.000 1.353 367 I CB -0.220 37.975 38.000 0.324 0.000 1.054 367 I HN 0.078 nan 8.210 nan 0.000 0.407 368 I N 0.088 120.765 120.570 0.179 0.000 2.226 368 I HA -0.255 3.913 4.170 -0.003 0.000 0.245 368 I C 2.528 178.722 176.117 0.129 0.000 1.100 368 I CA 1.209 62.584 61.300 0.125 0.000 1.374 368 I CB -0.340 37.723 38.000 0.104 0.000 1.057 368 I HN 0.036 nan 8.210 nan 0.000 0.413 369 V N 0.409 120.427 119.914 0.174 0.000 2.358 369 V HA -0.267 3.852 4.120 -0.003 0.000 0.246 369 V C 2.499 178.682 176.094 0.148 0.000 1.047 369 V CA 2.382 64.787 62.300 0.176 0.000 1.035 369 V CB -0.851 31.122 31.823 0.249 0.000 0.658 369 V HN 0.465 nan 8.190 nan 0.000 0.452 370 T N 0.565 115.216 114.554 0.162 0.000 2.652 370 T HA -0.159 4.190 4.350 -0.003 0.000 0.267 370 T C 1.887 176.608 174.700 0.035 0.000 1.039 370 T CA 1.694 63.831 62.100 0.062 0.000 1.153 370 T CB -0.321 68.602 68.868 0.091 0.000 0.863 370 T HN 0.294 nan 8.240 nan 0.000 0.428 371 L N 0.488 121.740 121.223 0.048 0.000 2.046 371 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 371 L C 2.695 179.613 176.870 0.081 0.000 1.077 371 L CA 1.470 56.334 54.840 0.040 0.000 0.747 371 L CB -0.479 41.598 42.059 0.031 0.000 0.896 371 L HN 0.222 nan 8.230 nan 0.000 0.432 372 K N -0.108 120.336 120.400 0.074 0.000 2.025 372 K HA -0.165 4.153 4.320 -0.003 0.000 0.207 372 K C 2.084 178.719 176.600 0.059 0.000 1.049 372 K CA 1.155 57.482 56.287 0.066 0.000 0.933 372 K CB 0.162 32.699 32.500 0.061 0.000 0.714 372 K HN 0.152 nan 8.250 nan 0.000 0.438 373 E N -0.081 120.154 120.200 0.058 0.000 2.152 373 E HA -0.199 4.150 4.350 -0.003 0.000 0.192 373 E C 1.648 178.237 176.600 -0.018 0.000 0.983 373 E CA 0.663 57.077 56.400 0.023 0.000 0.818 373 E CB -0.237 29.484 29.700 0.034 0.000 0.758 373 E HN 0.516 nan 8.360 nan 0.000 0.467 374 W N 1.349 122.547 121.300 -0.170 0.000 2.408 374 W HA -0.051 4.608 4.660 -0.003 0.000 0.311 374 W C 1.833 178.247 176.519 -0.175 0.000 1.190 374 W CA 0.798 57.989 57.345 -0.257 0.000 1.321 374 W CB -0.424 28.805 29.460 -0.385 0.000 1.143 374 W HN 0.007 nan 8.180 nan 0.000 0.501 375 L N 0.426 121.784 121.223 0.225 0.000 2.265 375 L HA -0.208 4.130 4.340 -0.003 0.000 0.215 375 L C 2.292 179.195 176.870 0.055 0.000 1.117 375 L CA 1.502 56.457 54.840 0.191 0.000 0.782 375 L CB -1.010 41.157 42.059 0.180 0.000 0.914 375 L HN -0.124 nan 8.230 nan 0.000 0.441 376 T N -1.017 113.538 114.554 0.003 0.000 2.942 376 T HA -0.047 4.301 4.350 -0.003 0.000 0.265 376 T C 2.022 176.672 174.700 -0.085 0.000 1.062 376 T CA 1.000 63.084 62.100 -0.027 0.000 1.139 376 T CB 0.086 68.944 68.868 -0.017 0.000 0.883 376 T HN 0.322 nan 8.240 nan 0.000 0.468 377 R N -0.146 120.247 120.500 -0.178 0.000 2.167 377 R HA 0.360 4.698 4.340 -0.003 0.000 0.201 377 R C 0.388 176.479 176.300 -0.349 0.000 1.024 377 R CA 0.513 56.461 56.100 -0.253 0.000 1.053 377 R CB 0.566 30.678 30.300 -0.313 0.000 0.987 377 R HN 0.275 nan 8.270 nan 0.000 0.493 378 I N 2.957 123.224 120.570 -0.505 0.000 2.833 378 I HA 0.182 4.350 4.170 -0.003 0.000 0.286 378 I C -1.867 174.202 176.117 -0.081 0.000 1.287 378 I CA -1.659 59.312 61.300 -0.549 0.000 1.046 378 I CB 1.851 39.066 38.000 -1.307 0.000 1.612 378 I HN -0.104 nan 8.210 nan 0.000 0.585 379 P HA -0.109 nan 4.420 nan 0.000 0.218 379 P C 0.188 177.583 177.300 0.157 0.000 1.149 379 P CA 1.341 64.515 63.100 0.123 0.000 0.817 379 P CB 0.567 32.295 31.700 0.047 0.000 0.785 380 D N -0.224 120.268 120.400 0.153 0.000 2.492 380 D HA 0.385 5.023 4.640 -0.003 0.000 0.248 380 D C -0.804 175.662 176.300 0.276 0.000 1.101 380 D CA -0.527 53.529 54.000 0.093 0.000 0.840 380 D CB 1.246 42.084 40.800 0.064 0.000 1.209 380 D HN -0.058 nan 8.370 nan 0.000 0.524 381 F N -0.074 119.960 119.950 0.140 0.000 2.668 381 F HA 0.722 5.248 4.527 -0.003 0.000 0.309 381 F C -1.030 174.854 175.800 0.139 0.000 1.117 381 F CA -0.788 57.354 58.000 0.236 0.000 0.951 381 F CB 1.288 40.472 39.000 0.306 0.000 1.323 381 F HN 0.031 nan 8.300 nan 0.000 0.451 382 S N 1.102 116.992 115.700 0.316 0.000 2.671 382 S HA 0.618 5.086 4.470 -0.003 0.000 0.277 382 S C -1.231 173.485 174.600 0.194 0.000 1.165 382 S CA -0.840 57.442 58.200 0.137 0.000 0.822 382 S CB 1.766 65.004 63.200 0.063 0.000 1.150 382 S HN 0.600 nan 8.310 nan 0.000 0.479 383 I N 2.004 122.635 120.570 0.102 0.000 2.634 383 I HA 0.263 4.431 4.170 -0.003 0.000 0.284 383 I C 1.036 177.199 176.117 0.077 0.000 1.124 383 I CA -0.362 60.992 61.300 0.090 0.000 1.417 383 I CB 0.147 38.175 38.000 0.046 0.000 1.396 383 I HN 0.845 nan 8.210 nan 0.000 0.571 384 A N 8.674 131.538 122.820 0.074 0.000 2.565 384 A HA 0.226 4.545 4.320 -0.003 0.000 0.237 384 A C -2.097 175.505 177.584 0.031 0.000 1.053 384 A CA -0.651 51.414 52.037 0.047 0.000 0.755 384 A CB -0.954 18.067 19.000 0.036 0.000 0.980 384 A HN 0.512 nan 8.150 nan 0.000 0.506 385 P HA 0.216 nan 4.420 nan 0.000 0.262 385 P C 1.119 178.425 177.300 0.011 0.000 1.182 385 P CA 1.843 64.951 63.100 0.013 0.000 0.761 385 P CB 0.512 32.216 31.700 0.008 0.000 0.795 386 G N 1.904 110.710 108.800 0.010 0.000 2.184 386 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.264 386 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.264 386 G C 0.477 175.383 174.900 0.011 0.000 0.975 386 G CA 0.104 45.209 45.100 0.009 0.000 0.642 386 G HN 0.868 nan 8.290 nan 0.000 0.536 387 A N -0.398 122.431 122.820 0.015 0.000 2.322 387 A HA 0.731 5.049 4.320 -0.003 0.000 0.269 387 A C 0.297 177.890 177.584 0.015 0.000 1.094 387 A CA 0.215 52.263 52.037 0.018 0.000 0.807 387 A CB 0.490 19.505 19.000 0.026 0.000 1.047 387 A HN 0.510 nan 8.150 nan 0.000 0.487 388 Q N 1.233 121.041 119.800 0.014 0.000 2.310 388 Q HA 0.401 4.739 4.340 -0.003 0.000 0.270 388 Q C -0.976 175.028 176.000 0.008 0.000 1.025 388 Q CA -0.744 55.062 55.803 0.006 0.000 0.772 388 Q CB 2.018 30.757 28.738 0.003 0.000 1.253 388 Q HN 0.624 nan 8.270 nan 0.000 0.450 389 I N 2.640 123.210 120.570 -0.000 0.000 2.529 389 I HA 0.106 4.275 4.170 -0.003 0.000 0.284 389 I C 0.195 176.302 176.117 -0.017 0.000 1.082 389 I CA -0.091 61.215 61.300 0.010 0.000 1.406 389 I CB 0.658 38.673 38.000 0.026 0.000 1.405 389 I HN 0.490 nan 8.210 nan 0.000 0.548 390 Q N 5.752 125.578 119.800 0.043 0.000 2.316 390 Q HA 0.444 4.782 4.340 -0.003 0.000 0.264 390 Q C -0.651 175.473 176.000 0.205 0.000 0.987 390 Q CA -0.421 55.420 55.803 0.064 0.000 0.852 390 Q CB 2.022 30.798 28.738 0.062 0.000 1.287 390 Q HN 0.583 nan 8.270 nan 0.000 0.448 391 H N 0.733 119.861 119.070 0.097 0.000 2.525 391 H HA 0.492 5.047 4.556 -0.003 0.000 0.340 391 H C -0.136 175.274 175.328 0.137 0.000 1.168 391 H CA -0.860 55.271 56.048 0.138 0.000 1.247 391 H CB 1.892 31.802 29.762 0.248 0.000 1.568 391 H HN 0.400 nan 8.280 nan 0.000 0.536 392 K N 0.428 120.990 120.400 0.269 0.000 2.375 392 K HA 0.567 4.886 4.320 -0.003 0.000 0.249 392 K C -1.151 175.602 176.600 0.255 0.000 0.942 392 K CA -0.942 55.472 56.287 0.212 0.000 0.806 392 K CB 2.497 35.086 32.500 0.148 0.000 1.227 392 K HN 0.343 nan 8.250 nan 0.000 0.430 393 S N 0.507 116.363 115.700 0.260 0.000 2.513 393 S HA 0.874 5.343 4.470 -0.003 0.000 0.299 393 S C -0.549 174.228 174.600 0.294 0.000 1.087 393 S CA 0.131 58.528 58.200 0.329 0.000 1.012 393 S CB 1.344 64.775 63.200 0.385 0.000 1.044 393 S HN 1.005 nan 8.310 nan 0.000 0.485 394 G N 2.768 111.740 108.800 0.286 0.000 2.393 394 G HA2 0.242 4.200 3.960 -0.003 0.000 0.264 394 G HA3 0.242 4.200 3.960 -0.003 0.000 0.264 394 G C 0.304 175.296 174.900 0.153 0.000 1.221 394 G CA -0.373 44.869 45.100 0.237 0.000 0.912 394 G HN 0.610 nan 8.290 nan 0.000 0.483 395 I N -0.127 120.549 120.570 0.176 0.000 2.286 395 I HA 0.009 4.177 4.170 -0.003 0.000 0.248 395 I C 0.381 176.504 176.117 0.010 0.000 1.115 395 I CA 1.177 62.511 61.300 0.057 0.000 1.392 395 I CB -0.068 37.956 38.000 0.040 0.000 1.065 395 I HN -0.018 nan 8.210 nan 0.000 0.418 396 V N 0.946 120.902 119.914 0.071 0.000 2.357 396 V HA 0.232 4.351 4.120 -0.003 0.000 0.281 396 V C -0.017 176.143 176.094 0.109 0.000 1.015 396 V CA -0.537 61.800 62.300 0.062 0.000 0.827 396 V CB 1.252 33.122 31.823 0.079 0.000 1.018 396 V HN 0.079 nan 8.190 nan 0.000 0.432 397 S N 2.640 118.404 115.700 0.107 0.000 2.600 397 S HA 0.820 5.288 4.470 -0.003 0.000 0.265 397 S C 0.609 175.359 174.600 0.249 0.000 1.325 397 S CA 0.342 58.657 58.200 0.193 0.000 1.002 397 S CB 1.581 64.881 63.200 0.168 0.000 0.921 397 S HN 1.118 nan 8.310 nan 0.000 0.554 398 G N -0.414 108.491 108.800 0.175 0.000 2.634 398 G HA2 0.534 4.492 3.960 -0.003 0.000 0.309 398 G HA3 0.534 4.492 3.960 -0.003 0.000 0.309 398 G C -1.880 172.780 174.900 -0.400 0.000 1.299 398 G CA -0.507 44.480 45.100 -0.188 0.000 0.798 398 G HN 0.640 nan 8.290 nan 0.000 0.490 399 V N 1.294 120.924 119.914 -0.474 0.000 2.448 399 V HA 0.324 4.442 4.120 -0.003 0.000 0.295 399 V C 0.774 176.817 176.094 -0.084 0.000 1.025 399 V CA -0.601 61.539 62.300 -0.267 0.000 0.859 399 V CB 1.622 33.215 31.823 -0.383 0.000 0.988 399 V HN 0.716 nan 8.190 nan 0.000 0.431 400 Q N 2.641 122.450 119.800 0.015 0.000 2.084 400 Q HA 0.102 4.440 4.340 -0.003 0.000 0.202 400 Q C 0.650 176.661 176.000 0.019 0.000 0.978 400 Q CA 1.538 57.357 55.803 0.026 0.000 0.844 400 Q CB 0.210 28.979 28.738 0.051 0.000 0.898 400 Q HN 0.937 nan 8.270 nan 0.000 0.426 401 A N -0.581 122.255 122.820 0.026 0.000 2.608 401 A HA 0.554 4.872 4.320 -0.003 0.000 0.292 401 A C -1.865 175.748 177.584 0.049 0.000 1.066 401 A CA -0.609 51.450 52.037 0.036 0.000 0.676 401 A CB 1.064 20.087 19.000 0.039 0.000 1.277 401 A HN 0.080 nan 8.150 nan 0.000 0.413 402 L N 1.925 123.193 121.223 0.075 0.000 2.489 402 L HA 0.465 4.803 4.340 -0.003 0.000 0.257 402 L C -2.644 174.299 176.870 0.121 0.000 1.215 402 L CA -1.446 53.448 54.840 0.090 0.000 0.915 402 L CB 1.745 43.864 42.059 0.100 0.000 1.146 402 L HN 0.449 nan 8.230 nan 0.000 0.494 403 P HA 0.197 nan 4.420 nan 0.000 0.276 403 P C -0.848 176.535 177.300 0.138 0.000 1.264 403 P CA 0.157 63.321 63.100 0.107 0.000 0.769 403 P CB 0.833 32.574 31.700 0.067 0.000 0.840 404 L N 4.147 125.496 121.223 0.209 0.000 2.330 404 L HA 0.715 5.053 4.340 -0.003 0.000 0.271 404 L C 0.526 177.557 176.870 0.268 0.000 1.013 404 L CA -1.201 53.826 54.840 0.312 0.000 0.816 404 L CB 2.172 44.506 42.059 0.459 0.000 1.287 404 L HN 0.216 nan 8.230 nan 0.000 0.435 405 V N -1.347 118.755 119.914 0.313 0.000 3.078 405 V HA 0.812 4.930 4.120 -0.003 0.000 0.311 405 V C -1.709 174.612 176.094 0.378 0.000 1.138 405 V CA -0.628 61.724 62.300 0.087 0.000 1.007 405 V CB 1.794 33.617 31.823 0.000 0.000 1.045 405 V HN 0.982 nan 8.190 nan 0.000 0.432 406 W N 0.592 121.968 121.300 0.126 0.000 3.161 406 W HA 0.727 5.385 4.660 -0.002 0.000 0.314 406 W C -1.834 174.726 176.519 0.068 0.000 1.245 406 W CA -0.670 56.747 57.345 0.121 0.000 1.191 406 W CB 0.857 30.420 29.460 0.171 0.000 1.392 406 W HN 0.700 nan 8.180 nan 0.000 0.568 407 D N 2.210 122.774 120.400 0.273 0.000 2.313 407 D HA 0.365 5.003 4.640 -0.003 0.000 0.239 407 D C -1.490 174.962 176.300 0.254 0.000 1.142 407 D CA -2.427 51.663 54.000 0.150 0.000 0.847 407 D CB 1.982 42.848 40.800 0.111 0.000 1.082 407 D HN 0.070 nan 8.370 nan 0.000 0.480 408 P HA -0.124 nan 4.420 nan 0.000 0.217 408 P C 0.848 178.232 177.300 0.139 0.000 1.148 408 P CA 1.282 64.514 63.100 0.220 0.000 0.828 408 P CB 0.212 31.980 31.700 0.113 0.000 0.783 409 A N -0.689 122.190 122.820 0.097 0.000 2.121 409 A HA -0.121 4.198 4.320 -0.003 0.000 0.218 409 A C 1.969 179.591 177.584 0.064 0.000 1.154 409 A CA 1.958 54.033 52.037 0.065 0.000 0.679 409 A CB -1.575 17.453 19.000 0.047 0.000 0.795 409 A HN 0.345 nan 8.150 nan 0.000 0.458 410 T N -2.558 112.051 114.554 0.091 0.000 3.086 410 T HA 0.163 4.511 4.350 -0.003 0.000 0.250 410 T C 0.834 175.565 174.700 0.051 0.000 1.074 410 T CA 0.629 62.773 62.100 0.073 0.000 0.988 410 T CB -0.794 68.130 68.868 0.092 0.000 0.988 410 T HN 0.496 nan 8.240 nan 0.000 0.530 411 T N 0.294 114.878 114.554 0.049 0.000 2.881 411 T HA 0.597 4.946 4.350 -0.003 0.000 0.278 411 T C -0.647 174.039 174.700 -0.024 0.000 0.982 411 T CA -0.974 61.114 62.100 -0.020 0.000 0.989 411 T CB 1.450 70.293 68.868 -0.041 0.000 1.058 411 T HN 0.600 nan 8.240 nan 0.000 0.529 412 K N -0.134 120.230 120.400 -0.059 0.000 2.535 412 K HA 0.683 5.001 4.320 -0.003 0.000 0.251 412 K C -1.054 175.512 176.600 -0.057 0.000 0.942 412 K CA -1.144 55.118 56.287 -0.042 0.000 0.798 412 K CB 1.902 34.385 32.500 -0.028 0.000 1.267 412 K HN 0.758 nan 8.250 nan 0.000 0.434 413 A N 2.833 125.630 122.820 -0.039 0.000 2.388 413 A HA 0.566 4.884 4.320 -0.003 0.000 0.257 413 A C -0.167 177.398 177.584 -0.031 0.000 1.095 413 A CA -0.442 51.572 52.037 -0.039 0.000 0.791 413 A CB 0.591 19.576 19.000 -0.024 0.000 1.029 413 A HN 0.498 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.895 119.914 -0.032 0.000 2.409 414 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 414 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 414 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556