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 2r5i_1_N DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.613 177.584 0.048 0.000 1.274 20 A CA 0.000 52.050 52.037 0.022 0.000 0.836 20 A CB 0.000 19.010 19.000 0.017 0.000 0.831 21 V N 1.834 121.723 119.914 -0.041 0.000 2.881 21 V HA 0.536 4.656 4.120 0.000 0.000 0.303 21 V C 0.300 176.266 176.094 -0.214 0.000 1.070 21 V CA -0.099 62.173 62.300 -0.047 0.000 1.074 21 V CB 1.526 33.192 31.823 -0.261 0.000 1.012 21 V HN 0.834 nan 8.190 nan 0.000 0.482 22 V N 2.489 122.367 119.914 -0.059 0.000 2.876 22 V HA 0.374 4.494 4.120 0.000 0.000 0.312 22 V C 0.110 176.236 176.094 0.053 0.000 1.085 22 V CA -1.183 61.026 62.300 -0.152 0.000 0.945 22 V CB 2.011 33.744 31.823 -0.150 0.000 1.017 22 V HN 0.846 nan 8.190 nan 0.000 0.428 23 N N 1.922 120.682 118.700 0.100 0.000 2.357 23 N HA -0.063 4.677 4.740 0.000 0.000 0.257 23 N C 1.450 177.086 175.510 0.209 0.000 1.250 23 N CA 0.918 54.115 53.050 0.247 0.000 0.862 23 N CB 1.438 40.049 38.487 0.206 0.000 1.066 23 N HN 1.041 nan 8.380 nan 0.000 0.468 24 T N -0.722 113.925 114.554 0.155 0.000 2.977 24 T HA -0.090 4.260 4.350 0.000 0.000 0.271 24 T C 0.804 175.385 174.700 -0.199 0.000 1.105 24 T CA 0.900 62.901 62.100 -0.163 0.000 1.116 24 T CB 0.112 68.892 68.868 -0.147 0.000 0.878 24 T HN 0.413 nan 8.240 nan 0.000 0.509 25 D N 1.575 121.962 120.400 -0.021 0.000 2.348 25 D HA -0.037 4.603 4.640 0.000 0.000 0.216 25 D C 1.243 177.556 176.300 0.021 0.000 0.970 25 D CA 0.637 54.632 54.000 -0.009 0.000 0.889 25 D CB -0.127 40.691 40.800 0.031 0.000 0.912 25 D HN 0.459 nan 8.370 nan 0.000 0.524 26 D N -0.206 120.235 120.400 0.068 0.000 2.224 26 D HA -0.109 4.531 4.640 0.000 0.000 0.205 26 D C 1.480 177.897 176.300 0.195 0.000 0.965 26 D CA 0.741 54.814 54.000 0.122 0.000 0.852 26 D CB -0.040 40.836 40.800 0.126 0.000 0.947 26 D HN 0.545 nan 8.370 nan 0.000 0.494 27 Y N -2.218 118.109 120.300 0.045 0.000 2.563 27 Y HA 0.480 5.030 4.550 0.000 0.000 0.250 27 Y C -0.199 175.768 175.900 0.112 0.000 1.126 27 Y CA -0.525 57.615 58.100 0.067 0.000 1.231 27 Y CB 0.410 38.905 38.460 0.059 0.000 1.288 27 Y HN -0.347 nan 8.280 nan 0.000 0.537 28 V N 2.353 122.212 119.914 -0.091 0.000 2.350 28 V HA 0.321 4.441 4.120 0.000 0.000 0.285 28 V C -0.276 175.793 176.094 -0.042 0.000 1.014 28 V CA -0.598 61.652 62.300 -0.082 0.000 0.831 28 V CB 1.300 33.002 31.823 -0.201 0.000 1.000 28 V HN 0.342 nan 8.190 nan 0.000 0.433 29 T N 5.714 120.260 114.554 -0.013 0.000 2.771 29 T HA 0.459 4.809 4.350 0.000 0.000 0.291 29 T C 0.169 174.850 174.700 -0.032 0.000 0.954 29 T CA -0.540 61.554 62.100 -0.010 0.000 1.045 29 T CB 0.594 69.466 68.868 0.005 0.000 0.917 29 T HN 0.526 nan 8.240 nan 0.000 0.484 30 R N 1.836 122.322 120.500 -0.024 0.000 2.410 30 R HA 0.524 4.864 4.340 0.000 0.000 0.288 30 R C 1.034 177.306 176.300 -0.046 0.000 1.051 30 R CA -0.667 55.410 56.100 -0.038 0.000 1.021 30 R CB 0.736 31.032 30.300 -0.007 0.000 1.032 30 R HN 0.776 nan 8.270 nan 0.000 0.481 31 T N -2.210 112.289 114.554 -0.093 0.000 2.893 31 T HA 0.192 4.542 4.350 0.000 0.000 0.279 31 T C 0.942 175.551 174.700 -0.152 0.000 0.991 31 T CA -0.703 61.342 62.100 -0.092 0.000 0.950 31 T CB 1.306 70.121 68.868 -0.088 0.000 1.223 31 T HN 0.524 nan 8.240 nan 0.000 0.585 32 S N -0.603 115.030 115.700 -0.111 0.000 2.568 32 S HA 0.302 4.772 4.470 0.000 0.000 0.232 32 S C 0.246 174.750 174.600 -0.161 0.000 0.975 32 S CA -0.691 57.452 58.200 -0.096 0.000 0.949 32 S CB -0.386 62.850 63.200 0.060 0.000 0.829 32 S HN 0.572 nan 8.310 nan 0.000 0.479 33 I N 2.642 123.076 120.570 -0.227 0.000 2.371 33 I HA 0.480 4.650 4.170 0.000 0.000 0.290 33 I C -0.548 175.463 176.117 -0.177 0.000 1.028 33 I CA -1.442 59.820 61.300 -0.063 0.000 1.345 33 I CB -0.635 37.441 38.000 0.125 0.000 1.407 33 I HN 0.126 nan 8.210 nan 0.000 0.501 34 F N 5.798 125.846 119.950 0.164 0.000 2.563 34 F HA 0.568 5.095 4.527 0.000 0.000 0.316 34 F C -0.331 175.515 175.800 0.078 0.000 1.076 34 F CA -0.693 57.410 58.000 0.171 0.000 0.921 34 F CB 1.683 40.705 39.000 0.036 0.000 1.209 34 F HN 0.208 nan 8.300 nan 0.000 0.462 35 Y N 0.426 120.828 120.300 0.169 0.000 2.562 35 Y HA 0.406 4.956 4.550 0.000 0.000 0.343 35 Y C -0.246 175.530 175.900 -0.206 0.000 1.025 35 Y CA -0.960 57.144 58.100 0.006 0.000 1.082 35 Y CB 1.518 39.945 38.460 -0.054 0.000 1.264 35 Y HN 0.512 nan 8.280 nan 0.000 0.478 36 H N 1.149 120.129 119.070 -0.150 0.000 2.529 36 H HA 0.881 5.437 4.556 0.000 0.000 0.348 36 H C -1.732 173.298 175.328 -0.497 0.000 1.152 36 H CA -0.692 55.153 56.048 -0.339 0.000 1.202 36 H CB 1.697 31.258 29.762 -0.335 0.000 1.562 36 H HN 0.826 nan 8.280 nan 0.000 0.515 37 A N 2.151 124.372 122.820 -0.999 0.000 2.574 37 A HA 0.660 4.980 4.320 0.000 0.000 0.297 37 A C -0.989 176.355 177.584 -0.401 0.000 1.062 37 A CA -0.118 51.597 52.037 -0.536 0.000 0.686 37 A CB 1.766 20.396 19.000 -0.617 0.000 1.285 37 A HN 0.935 nan 8.150 nan 0.000 0.403 38 G N 0.568 109.321 108.800 -0.078 0.000 2.728 38 G HA2 0.620 4.580 3.960 0.000 0.000 0.294 38 G HA3 0.620 4.580 3.960 0.000 0.000 0.294 38 G C -0.197 174.729 174.900 0.044 0.000 1.398 38 G CA 0.317 45.414 45.100 -0.005 0.000 1.183 38 G HN 1.806 nan 8.290 nan 0.000 0.578 39 S N 1.258 116.974 115.700 0.028 0.000 2.572 39 S HA 0.339 4.809 4.470 0.000 0.000 0.267 39 S C 1.714 176.323 174.600 0.015 0.000 1.361 39 S CA 0.815 59.019 58.200 0.006 0.000 1.009 39 S CB 1.059 64.208 63.200 -0.085 0.000 0.888 39 S HN 1.500 nan 8.310 nan 0.000 0.553 40 S N 2.148 117.870 115.700 0.036 0.000 2.354 40 S HA 0.106 4.576 4.470 0.000 0.000 0.200 40 S C 0.812 175.427 174.600 0.026 0.000 1.055 40 S CA 0.266 58.495 58.200 0.048 0.000 1.077 40 S CB -0.476 62.763 63.200 0.066 0.000 0.992 40 S HN 0.964 nan 8.310 nan 0.000 0.423 41 R N 0.520 121.043 120.500 0.038 0.000 2.631 41 R HA 0.428 4.768 4.340 0.000 0.000 0.289 41 R C -1.685 174.663 176.300 0.080 0.000 1.303 41 R CA -0.396 55.723 56.100 0.032 0.000 0.989 41 R CB 0.414 30.738 30.300 0.040 0.000 1.208 41 R HN 0.412 nan 8.270 nan 0.000 0.461 42 L N 4.206 125.462 121.223 0.054 0.000 2.426 42 L HA 0.419 4.759 4.340 0.000 0.000 0.271 42 L C -0.417 176.641 176.870 0.314 0.000 1.169 42 L CA -0.443 54.511 54.840 0.190 0.000 0.836 42 L CB 0.625 42.593 42.059 -0.152 0.000 1.112 42 L HN 0.463 nan 8.230 nan 0.000 0.465 43 L N 2.281 123.798 121.223 0.491 0.000 2.549 43 L HA 0.643 4.983 4.340 0.000 0.000 0.259 43 L C -0.759 176.313 176.870 0.337 0.000 0.934 43 L CA 0.160 55.208 54.840 0.346 0.000 0.865 43 L CB 2.452 44.622 42.059 0.185 0.000 1.352 43 L HN 0.644 nan 8.230 nan 0.000 0.410 44 T N 3.630 118.338 114.554 0.257 0.000 3.097 44 T HA 0.753 5.103 4.350 0.000 0.000 0.332 44 T C -1.690 173.041 174.700 0.051 0.000 1.269 44 T CA 0.087 62.255 62.100 0.113 0.000 1.076 44 T CB 1.065 69.974 68.868 0.067 0.000 1.209 44 T HN 1.173 nan 8.240 nan 0.000 0.474 45 V N 1.432 121.349 119.914 0.005 0.000 3.078 45 V HA 1.117 5.237 4.120 0.000 0.000 0.311 45 V C 0.018 176.107 176.094 -0.009 0.000 1.138 45 V CA 0.121 62.411 62.300 -0.016 0.000 1.007 45 V CB 1.385 33.193 31.823 -0.026 0.000 1.045 45 V HN 1.470 nan 8.190 nan 0.000 0.432 46 G N 1.076 109.876 108.800 -0.001 0.000 2.340 46 G HA2 0.369 4.329 3.960 0.000 0.000 0.299 46 G HA3 0.369 4.329 3.960 0.000 0.000 0.299 46 G C -2.056 172.835 174.900 -0.016 0.000 1.291 46 G CA -0.131 44.969 45.100 -0.000 0.000 0.841 46 G HN 1.030 nan 8.290 nan 0.000 0.500 47 D N 0.372 120.738 120.400 -0.055 0.000 2.256 47 D HA 0.358 4.998 4.640 0.000 0.000 0.250 47 D C -1.197 174.988 176.300 -0.192 0.000 1.093 47 D CA -1.859 52.033 54.000 -0.180 0.000 0.882 47 D CB 2.370 43.021 40.800 -0.249 0.000 1.185 47 D HN 0.045 nan 8.370 nan 0.000 0.437 48 P HA -0.075 nan 4.420 nan 0.000 0.229 48 P C 0.728 178.055 177.300 0.045 0.000 1.160 48 P CA 0.973 63.960 63.100 -0.188 0.000 0.777 48 P CB 0.160 31.643 31.700 -0.363 0.000 0.814 49 Y N -0.856 119.288 120.300 -0.259 0.000 2.607 49 Y HA 0.237 4.787 4.550 0.000 0.000 0.276 49 Y C 1.030 176.871 175.900 -0.099 0.000 1.117 49 Y CA -0.755 57.210 58.100 -0.225 0.000 1.273 49 Y CB 0.415 38.662 38.460 -0.355 0.000 1.282 49 Y HN -0.154 nan 8.280 nan 0.000 0.514 50 F N -0.557 119.505 119.950 0.185 0.000 2.741 50 F HA 0.497 5.024 4.527 0.000 0.000 0.311 50 F C -0.981 174.864 175.800 0.075 0.000 1.149 50 F CA -2.269 55.799 58.000 0.114 0.000 0.930 50 F CB 0.627 39.686 39.000 0.098 0.000 1.312 50 F HN -0.206 nan 8.300 nan 0.000 0.450 51 R N 0.774 121.495 120.500 0.369 0.000 2.441 51 R HA 0.736 5.076 4.340 0.000 0.000 0.284 51 R C -1.557 174.922 176.300 0.298 0.000 1.070 51 R CA -0.743 55.499 56.100 0.238 0.000 1.047 51 R CB 1.280 31.662 30.300 0.136 0.000 1.016 51 R HN 0.537 nan 8.270 nan 0.000 0.477 52 V N 4.525 124.570 119.914 0.218 0.000 2.348 52 V HA 0.254 4.374 4.120 0.000 0.000 0.270 52 V C -1.985 174.175 176.094 0.111 0.000 1.037 52 V CA -2.213 60.204 62.300 0.196 0.000 0.872 52 V CB 0.894 32.826 31.823 0.181 0.000 1.002 52 V HN 0.806 nan 8.190 nan 0.000 0.464 53 P HA 0.064 nan 4.420 nan 0.000 0.262 53 P C 0.256 177.585 177.300 0.047 0.000 1.182 53 P CA 0.301 63.431 63.100 0.051 0.000 0.761 53 P CB 0.406 32.125 31.700 0.032 0.000 0.795 54 A N 4.298 127.140 122.820 0.036 0.000 2.622 54 A HA 0.214 4.534 4.320 0.000 0.000 0.235 54 A C 1.721 179.322 177.584 0.029 0.000 1.013 54 A CA 0.728 52.782 52.037 0.029 0.000 0.765 54 A CB -1.179 17.832 19.000 0.019 0.000 0.921 54 A HN 0.931 nan 8.150 nan 0.000 0.506 55 G N 1.921 110.738 108.800 0.028 0.000 2.468 55 G HA2 -0.159 3.801 3.960 0.000 0.000 0.311 55 G HA3 -0.159 3.801 3.960 0.000 0.000 0.311 55 G C 1.277 176.194 174.900 0.029 0.000 0.942 55 G CA 1.355 46.471 45.100 0.026 0.000 0.893 55 G HN 1.923 nan 8.290 nan 0.000 0.513 56 G N 0.039 108.861 108.800 0.037 0.000 2.453 56 G HA2 0.117 4.077 3.960 0.000 0.000 0.215 56 G HA3 0.117 4.077 3.960 0.000 0.000 0.215 56 G C 1.673 176.597 174.900 0.040 0.000 1.201 56 G CA 1.406 46.528 45.100 0.036 0.000 0.784 56 G HN 1.066 nan 8.290 nan 0.000 0.545 57 G N 0.990 109.824 108.800 0.056 0.000 2.518 57 G HA2 0.139 4.099 3.960 0.000 0.000 0.213 57 G HA3 0.139 4.099 3.960 0.000 0.000 0.213 57 G C 0.559 175.485 174.900 0.042 0.000 1.226 57 G CA 0.659 45.796 45.100 0.062 0.000 0.822 57 G HN 0.663 nan 8.290 nan 0.000 0.546 58 N N 0.018 118.742 118.700 0.039 0.000 2.295 58 N HA 0.177 4.917 4.740 0.000 0.000 0.293 58 N C -0.679 174.841 175.510 0.017 0.000 1.040 58 N CA -0.746 52.316 53.050 0.020 0.000 0.840 58 N CB 2.150 40.639 38.487 0.004 0.000 1.468 58 N HN 0.238 nan 8.380 nan 0.000 0.478 59 K N 1.806 122.213 120.400 0.012 0.000 2.539 59 K HA -0.273 4.047 4.320 0.000 0.000 0.271 59 K C -0.408 176.197 176.600 0.009 0.000 1.004 59 K CA 0.912 57.205 56.287 0.009 0.000 1.117 59 K CB 0.056 32.559 32.500 0.005 0.000 0.815 59 K HN 0.835 nan 8.250 nan 0.000 0.481 60 Q N 1.885 121.691 119.800 0.010 0.000 3.234 60 Q HA -0.163 4.177 4.340 0.000 0.000 0.026 60 Q C -1.378 174.631 176.000 0.015 0.000 1.709 60 Q CA 1.100 56.909 55.803 0.009 0.000 0.241 60 Q CB 0.022 28.762 28.738 0.002 0.000 0.585 60 Q HN 0.772 nan 8.270 nan 0.000 0.322 61 D N 2.986 123.395 120.400 0.014 0.000 2.455 61 D HA 0.115 4.755 4.640 0.000 0.000 0.241 61 D C 0.213 176.526 176.300 0.021 0.000 1.138 61 D CA 0.450 54.464 54.000 0.023 0.000 0.877 61 D CB 0.430 41.240 40.800 0.018 0.000 1.187 61 D HN 0.297 nan 8.370 nan 0.000 0.451 62 I N 4.283 124.875 120.570 0.037 0.000 2.330 62 I HA 0.202 4.372 4.170 0.000 0.000 0.286 62 I C -2.125 174.015 176.117 0.038 0.000 1.025 62 I CA -2.398 58.920 61.300 0.031 0.000 1.197 62 I CB 0.862 38.891 38.000 0.047 0.000 1.358 62 I HN -0.066 nan 8.210 nan 0.000 0.467 63 P HA 0.070 nan 4.420 nan 0.000 0.271 63 P C -0.263 177.058 177.300 0.036 0.000 1.233 63 P CA -0.466 62.648 63.100 0.022 0.000 0.789 63 P CB 0.733 32.428 31.700 -0.009 0.000 0.951 64 K N 1.448 121.882 120.400 0.057 0.000 2.273 64 K HA 0.288 4.608 4.320 0.000 0.000 0.287 64 K C -1.314 175.338 176.600 0.087 0.000 1.089 64 K CA -0.305 56.026 56.287 0.073 0.000 0.909 64 K CB -0.178 32.389 32.500 0.112 0.000 1.123 64 K HN 0.157 nan 8.250 nan 0.000 0.473 65 V N 3.310 123.283 119.914 0.098 0.000 2.350 65 V HA 0.270 4.390 4.120 0.000 0.000 0.285 65 V C -0.306 175.946 176.094 0.264 0.000 1.014 65 V CA -0.651 61.747 62.300 0.163 0.000 0.831 65 V CB 1.240 33.142 31.823 0.131 0.000 1.000 65 V HN 0.757 nan 8.190 nan 0.000 0.433 66 S N 3.219 119.081 115.700 0.271 0.000 2.599 66 S HA 0.766 5.236 4.470 0.000 0.000 0.294 66 S C 0.918 175.640 174.600 0.203 0.000 1.094 66 S CA 0.219 58.558 58.200 0.231 0.000 0.931 66 S CB 2.188 65.535 63.200 0.244 0.000 1.093 66 S HN 0.893 nan 8.310 nan 0.000 0.488 67 A N 1.788 124.584 122.820 -0.041 0.000 2.123 67 A HA 0.237 4.558 4.320 0.000 0.000 0.214 67 A C 0.457 177.889 177.584 -0.254 0.000 1.152 67 A CA 0.602 52.571 52.037 -0.113 0.000 0.728 67 A CB -0.488 18.301 19.000 -0.351 0.000 0.814 67 A HN 0.812 nan 8.150 nan 0.000 0.464 68 Y N 1.128 121.504 120.300 0.127 0.000 2.718 68 Y HA 0.213 4.763 4.550 0.000 0.000 0.322 68 Y C 0.512 176.462 175.900 0.084 0.000 1.122 68 Y CA -0.268 57.904 58.100 0.120 0.000 1.348 68 Y CB -0.108 38.471 38.460 0.200 0.000 1.174 68 Y HN 0.519 nan 8.280 nan 0.000 0.523 69 Q N -1.564 118.334 119.800 0.164 0.000 2.353 69 Q HA 0.380 4.720 4.340 0.000 0.000 0.268 69 Q C -1.309 174.767 176.000 0.127 0.000 1.045 69 Q CA -1.249 54.657 55.803 0.171 0.000 0.811 69 Q CB 1.371 30.230 28.738 0.203 0.000 1.305 69 Q HN 0.181 nan 8.270 nan 0.000 0.447 70 Y N 0.984 121.344 120.300 0.100 0.000 2.652 70 Y HA 0.066 4.616 4.550 0.000 0.000 0.344 70 Y C 0.554 176.456 175.900 0.004 0.000 1.254 70 Y CA 0.185 58.321 58.100 0.059 0.000 1.480 70 Y CB 0.569 39.053 38.460 0.040 0.000 1.345 70 Y HN 0.350 nan 8.280 nan 0.000 0.617 71 R N 1.659 122.197 120.500 0.064 0.000 2.439 71 R HA 0.520 4.860 4.340 0.000 0.000 0.310 71 R C -1.754 174.332 176.300 -0.356 0.000 0.955 71 R CA -0.827 55.128 56.100 -0.241 0.000 0.853 71 R CB 1.655 31.648 30.300 -0.511 0.000 1.171 71 R HN 0.437 nan 8.270 nan 0.000 0.449 72 V N 5.148 124.866 119.914 -0.326 0.000 2.349 72 V HA 0.396 4.516 4.120 0.000 0.000 0.284 72 V C -0.492 175.452 176.094 -0.251 0.000 1.014 72 V CA -0.748 61.471 62.300 -0.136 0.000 0.826 72 V CB 0.921 32.848 31.823 0.175 0.000 1.009 72 V HN 0.506 nan 8.190 nan 0.000 0.431 73 F N 3.359 123.285 119.950 -0.040 0.000 2.411 73 F HA 0.491 5.018 4.527 0.000 0.000 0.355 73 F C 0.923 176.592 175.800 -0.217 0.000 1.117 73 F CA -0.384 57.540 58.000 -0.126 0.000 1.139 73 F CB 0.966 39.821 39.000 -0.242 0.000 1.120 73 F HN 0.321 nan 8.300 nan 0.000 0.493 74 R N 3.735 124.148 120.500 -0.145 0.000 2.296 74 R HA 0.386 4.726 4.340 0.000 0.000 0.327 74 R C -1.291 174.821 176.300 -0.315 0.000 1.137 74 R CA -0.345 55.431 56.100 -0.540 0.000 1.020 74 R CB 0.329 30.316 30.300 -0.522 0.000 1.110 74 R HN 0.509 nan 8.270 nan 0.000 0.499 75 V N 4.697 124.411 119.914 -0.332 0.000 2.427 75 V HA 0.054 4.174 4.120 0.000 0.000 0.268 75 V C 0.242 176.176 176.094 -0.267 0.000 1.046 75 V CA -0.338 61.818 62.300 -0.240 0.000 0.970 75 V CB 1.109 32.760 31.823 -0.287 0.000 1.001 75 V HN 0.637 nan 8.190 nan 0.000 0.476 76 Q N 4.815 124.505 119.800 -0.184 0.000 2.294 76 Q HA 0.538 4.878 4.340 0.000 0.000 0.257 76 Q C -0.883 174.999 176.000 -0.197 0.000 0.955 76 Q CA 0.173 55.879 55.803 -0.162 0.000 0.936 76 Q CB 0.962 29.644 28.738 -0.092 0.000 1.188 76 Q HN 0.706 nan 8.270 nan 0.000 0.420 77 L N 5.735 126.812 121.223 -0.243 0.000 2.332 77 L HA 0.713 5.053 4.340 0.000 0.000 0.269 77 L C -2.022 174.622 176.870 -0.378 0.000 1.016 77 L CA -2.405 52.198 54.840 -0.396 0.000 0.809 77 L CB 1.718 43.472 42.059 -0.509 0.000 1.280 77 L HN 0.606 nan 8.230 nan 0.000 0.447 78 P HA 0.027 nan 4.420 nan 0.000 0.276 78 P C -1.255 175.842 177.300 -0.338 0.000 1.244 78 P CA -0.336 62.469 63.100 -0.492 0.000 0.801 78 P CB 0.978 32.192 31.700 -0.810 0.000 1.006 79 D N 2.918 123.177 120.400 -0.235 0.000 2.352 79 D HA 0.063 4.703 4.640 0.000 0.000 0.245 79 D C -1.129 175.007 176.300 -0.274 0.000 1.224 79 D CA -2.137 51.757 54.000 -0.177 0.000 0.879 79 D CB 0.672 41.434 40.800 -0.064 0.000 1.057 79 D HN 0.196 nan 8.370 nan 0.000 0.491 80 P HA -0.141 nan 4.420 nan 0.000 0.225 80 P C 0.690 177.786 177.300 -0.340 0.000 1.148 80 P CA 0.681 63.386 63.100 -0.657 0.000 0.779 80 P CB 0.616 31.518 31.700 -1.328 0.000 0.780 81 N N 1.424 119.974 118.700 -0.249 0.000 2.083 81 N HA -0.068 4.672 4.740 0.000 0.000 0.190 81 N C 1.108 176.614 175.510 -0.006 0.000 1.047 81 N CA 1.069 54.041 53.050 -0.130 0.000 0.845 81 N CB -0.560 37.865 38.487 -0.103 0.000 1.025 81 N HN 0.299 nan 8.380 nan 0.000 0.428 82 K N 0.355 120.766 120.400 0.018 0.000 3.025 82 K HA 0.095 4.415 4.320 0.000 0.000 0.260 82 K C -0.522 176.152 176.600 0.124 0.000 1.023 82 K CA -0.088 56.233 56.287 0.056 0.000 1.194 82 K CB -0.335 32.191 32.500 0.045 0.000 1.094 82 K HN 0.055 nan 8.250 nan 0.000 0.460 83 F N -0.282 119.617 119.950 -0.086 0.000 2.598 83 F HA 0.524 5.051 4.527 0.000 0.000 0.327 83 F C 0.097 175.871 175.800 -0.043 0.000 1.057 83 F CA -1.539 56.412 58.000 -0.082 0.000 0.957 83 F CB 1.548 40.456 39.000 -0.154 0.000 1.278 83 F HN -0.030 nan 8.300 nan 0.000 0.484 84 G N 5.049 113.418 108.800 -0.717 0.000 2.546 84 G HA2 0.477 4.437 3.960 0.000 0.000 0.320 84 G HA3 0.477 4.437 3.960 0.000 0.000 0.320 84 G C -0.750 173.757 174.900 -0.655 0.000 0.984 84 G CA -0.506 44.234 45.100 -0.600 0.000 1.183 84 G HN 0.623 nan 8.290 nan 0.000 0.443 85 L N 3.586 124.672 121.223 -0.228 0.000 2.452 85 L HA 0.230 4.570 4.340 0.000 0.000 0.267 85 L C -0.492 176.382 176.870 0.007 0.000 1.188 85 L CA -1.507 53.321 54.840 -0.020 0.000 0.821 85 L CB 1.105 43.190 42.059 0.043 0.000 1.102 85 L HN 0.373 nan 8.230 nan 0.000 0.470 86 P HA -0.043 nan 4.420 nan 0.000 0.233 86 P C -0.346 176.980 177.300 0.044 0.000 1.167 86 P CA 0.836 63.972 63.100 0.060 0.000 0.770 86 P CB 0.290 32.035 31.700 0.076 0.000 0.837 87 D N -1.315 119.118 120.400 0.054 0.000 2.452 87 D HA 0.111 4.751 4.640 0.000 0.000 0.226 87 D C -0.459 175.880 176.300 0.065 0.000 1.366 87 D CA -0.230 53.798 54.000 0.048 0.000 0.986 87 D CB 0.421 41.249 40.800 0.047 0.000 1.420 87 D HN -0.382 nan 8.370 nan 0.000 0.583 88 T N 1.579 116.169 114.554 0.061 0.000 3.500 88 T HA 0.187 4.537 4.350 0.000 0.000 0.244 88 T C 0.656 175.415 174.700 0.099 0.000 0.962 88 T CA 0.338 62.502 62.100 0.106 0.000 0.932 88 T CB -0.357 68.559 68.868 0.080 0.000 1.096 88 T HN 0.358 nan 8.240 nan 0.000 0.617 89 S N -0.068 115.687 115.700 0.091 0.000 2.694 89 S HA 0.281 4.752 4.470 0.000 0.000 0.232 89 S C 0.777 175.426 174.600 0.082 0.000 1.017 89 S CA -0.598 57.637 58.200 0.059 0.000 1.139 89 S CB -0.178 63.037 63.200 0.024 0.000 1.247 89 S HN 0.168 nan 8.310 nan 0.000 0.452 90 I N 0.810 121.474 120.570 0.158 0.000 2.927 90 I HA 0.300 4.470 4.170 0.000 0.000 0.268 90 I C 0.861 177.098 176.117 0.201 0.000 1.153 90 I CA 0.236 61.618 61.300 0.137 0.000 1.459 90 I CB -1.112 36.932 38.000 0.073 0.000 1.149 90 I HN 0.749 nan 8.210 nan 0.000 0.443 91 Y N 0.177 120.447 120.300 -0.050 0.000 2.705 91 Y HA 0.645 5.195 4.550 0.000 0.000 0.332 91 Y C -0.485 175.382 175.900 -0.056 0.000 1.157 91 Y CA -1.590 56.474 58.100 -0.060 0.000 1.091 91 Y CB 1.194 39.600 38.460 -0.091 0.000 1.301 91 Y HN -0.045 nan 8.280 nan 0.000 0.488 92 N N 2.469 120.920 118.700 -0.416 0.000 2.626 92 N HA 0.375 5.115 4.740 0.000 0.000 0.242 92 N C -2.349 172.800 175.510 -0.602 0.000 1.005 92 N CA -2.869 49.907 53.050 -0.457 0.000 0.905 92 N CB 1.471 39.837 38.487 -0.201 0.000 1.128 92 N HN 0.378 nan 8.380 nan 0.000 0.512 93 P HA -0.160 nan 4.420 nan 0.000 0.229 93 P C 0.188 177.341 177.300 -0.245 0.000 1.147 93 P CA 1.109 63.879 63.100 -0.550 0.000 0.766 93 P CB 0.477 31.948 31.700 -0.382 0.000 0.775 94 E N -0.783 119.289 120.200 -0.213 0.000 2.099 94 E HA -0.016 4.334 4.350 0.000 0.000 0.191 94 E C 1.852 178.402 176.600 -0.083 0.000 0.962 94 E CA 1.706 58.035 56.400 -0.118 0.000 0.826 94 E CB -0.600 29.040 29.700 -0.101 0.000 0.788 94 E HN 0.384 nan 8.360 nan 0.000 0.461 95 T N -1.478 113.022 114.554 -0.089 0.000 3.001 95 T HA 0.111 4.461 4.350 0.000 0.000 0.251 95 T C 0.883 175.565 174.700 -0.030 0.000 1.040 95 T CA -0.276 61.798 62.100 -0.043 0.000 0.985 95 T CB 0.306 69.156 68.868 -0.029 0.000 1.011 95 T HN 0.054 nan 8.240 nan 0.000 0.509 96 Q N -0.068 119.703 119.800 -0.048 0.000 2.552 96 Q HA 0.769 5.109 4.340 0.000 0.000 0.289 96 Q C -1.050 174.950 176.000 -0.000 0.000 1.097 96 Q CA -1.398 54.407 55.803 0.002 0.000 0.812 96 Q CB 1.875 30.660 28.738 0.078 0.000 1.460 96 Q HN -0.048 nan 8.270 nan 0.000 0.452 97 R N -0.067 120.342 120.500 -0.150 0.000 2.869 97 R HA 0.621 4.961 4.340 0.000 0.000 0.263 97 R C -1.112 174.899 176.300 -0.482 0.000 1.066 97 R CA -0.903 54.932 56.100 -0.442 0.000 0.960 97 R CB 1.543 31.108 30.300 -1.225 0.000 1.221 97 R HN 0.638 nan 8.270 nan 0.000 0.474 98 L N 1.228 122.082 121.223 -0.616 0.000 2.346 98 L HA 0.671 5.011 4.340 0.000 0.000 0.276 98 L C -0.773 175.825 176.870 -0.453 0.000 1.006 98 L CA -0.998 53.491 54.840 -0.586 0.000 0.817 98 L CB 2.182 43.794 42.059 -0.745 0.000 1.272 98 L HN 0.219 nan 8.230 nan 0.000 0.421 99 V N 0.339 120.016 119.914 -0.396 0.000 2.925 99 V HA 0.354 4.474 4.120 0.000 0.000 0.311 99 V C -1.184 174.745 176.094 -0.275 0.000 1.104 99 V CA -0.910 61.235 62.300 -0.259 0.000 0.954 99 V CB 2.151 33.891 31.823 -0.139 0.000 1.022 99 V HN 0.676 nan 8.190 nan 0.000 0.427 100 W N 2.048 123.236 121.300 -0.186 0.000 2.358 100 W HA 0.650 5.310 4.660 0.000 0.000 0.307 100 W C 0.405 176.857 176.519 -0.110 0.000 1.203 100 W CA -0.350 56.891 57.345 -0.173 0.000 1.279 100 W CB 1.254 30.528 29.460 -0.310 0.000 1.264 100 W HN 0.749 nan 8.180 nan 0.000 0.474 101 A N 4.082 127.070 122.820 0.281 0.000 2.290 101 A HA 0.377 4.697 4.320 0.000 0.000 0.310 101 A C -0.519 177.207 177.584 0.236 0.000 1.202 101 A CA -0.617 51.502 52.037 0.136 0.000 0.837 101 A CB 0.545 19.575 19.000 0.049 0.000 1.139 101 A HN 0.750 nan 8.150 nan 0.000 0.509 102 C N 2.591 121.971 119.300 0.133 0.000 2.648 102 C HA 0.473 4.933 4.460 0.000 0.000 0.419 102 C C 1.332 176.287 174.990 -0.058 0.000 1.352 102 C CA 0.740 59.767 59.018 0.015 0.000 1.816 102 C CB -0.426 27.307 27.740 -0.012 0.000 2.598 102 C HN 1.010 nan 8.230 nan 0.000 0.598 103 A N 3.898 126.669 122.820 -0.081 0.000 2.548 103 A HA 0.659 4.979 4.320 0.000 0.000 0.236 103 A C 0.541 178.181 177.584 0.094 0.000 1.246 103 A CA 0.593 52.665 52.037 0.057 0.000 0.993 103 A CB -0.019 19.088 19.000 0.179 0.000 1.209 103 A HN 1.433 nan 8.150 nan 0.000 0.570 104 G N -1.132 107.609 108.800 -0.098 0.000 2.632 104 G HA2 0.545 4.505 3.960 0.000 0.000 0.292 104 G HA3 0.545 4.505 3.960 0.000 0.000 0.292 104 G C -1.706 172.969 174.900 -0.376 0.000 1.465 104 G CA -0.164 44.855 45.100 -0.135 0.000 0.824 104 G HN 0.634 nan 8.290 nan 0.000 0.509 105 V N -0.284 119.342 119.914 -0.481 0.000 3.147 105 V HA 0.822 4.942 4.120 0.000 0.000 0.306 105 V C -0.916 174.911 176.094 -0.446 0.000 1.209 105 V CA -0.838 61.169 62.300 -0.488 0.000 1.023 105 V CB 2.309 33.927 31.823 -0.342 0.000 1.059 105 V HN 1.057 nan 8.190 nan 0.000 0.435 106 E N 2.031 121.945 120.200 -0.477 0.000 2.466 106 E HA 0.443 4.793 4.350 0.000 0.000 0.308 106 E C -1.941 174.490 176.600 -0.281 0.000 0.933 106 E CA -0.596 55.597 56.400 -0.345 0.000 0.800 106 E CB 1.259 30.714 29.700 -0.407 0.000 1.434 106 E HN 0.563 nan 8.360 nan 0.000 0.389 107 I N 3.876 124.410 120.570 -0.061 0.000 2.347 107 I HA 0.282 4.452 4.170 0.000 0.000 0.294 107 I C 0.868 176.918 176.117 -0.112 0.000 1.090 107 I CA 0.392 61.618 61.300 -0.124 0.000 1.314 107 I CB 1.132 39.084 38.000 -0.080 0.000 1.423 107 I HN 0.548 nan 8.210 nan 0.000 0.503 108 G N 6.704 115.401 108.800 -0.172 0.000 2.390 108 G HA2 0.499 4.459 3.960 0.000 0.000 0.270 108 G HA3 0.499 4.459 3.960 0.000 0.000 0.270 108 G C -0.116 174.662 174.900 -0.204 0.000 1.211 108 G CA -0.622 44.391 45.100 -0.145 0.000 0.842 108 G HN 0.332 nan 8.290 nan 0.000 0.519 109 R N 1.093 121.484 120.500 -0.181 0.000 2.637 109 R HA 0.477 4.817 4.340 0.000 0.000 0.291 109 R C 0.927 177.111 176.300 -0.193 0.000 0.963 109 R CA -0.333 55.594 56.100 -0.288 0.000 0.901 109 R CB 1.869 32.032 30.300 -0.229 0.000 1.160 109 R HN 0.591 nan 8.270 nan 0.000 0.457 110 G N 1.459 110.122 108.800 -0.228 0.000 2.615 110 G HA2 -0.053 3.907 3.960 0.000 0.000 0.213 110 G HA3 -0.053 3.907 3.960 0.000 0.000 0.213 110 G C 0.218 175.062 174.900 -0.093 0.000 1.215 110 G CA 0.129 45.148 45.100 -0.136 0.000 0.843 110 G HN 0.313 nan 8.290 nan 0.000 0.571 111 Q N 0.837 120.582 119.800 -0.092 0.000 2.527 111 Q HA 0.279 4.619 4.340 0.000 0.000 0.189 111 Q C -2.109 173.872 176.000 -0.031 0.000 1.116 111 Q CA -1.282 54.491 55.803 -0.051 0.000 1.169 111 Q CB -0.107 28.605 28.738 -0.044 0.000 1.211 111 Q HN 0.228 nan 8.270 nan 0.000 0.649 112 P HA 0.182 nan 4.420 nan 0.000 0.279 112 P C -0.528 176.779 177.300 0.013 0.000 1.252 112 P CA -0.586 62.514 63.100 0.000 0.000 0.811 112 P CB 0.597 32.299 31.700 0.004 0.000 1.035 113 L N 1.008 122.242 121.223 0.018 0.000 2.485 113 L HA 0.481 4.821 4.340 0.000 0.000 0.275 113 L C 1.258 178.149 176.870 0.035 0.000 1.207 113 L CA 1.470 56.328 54.840 0.029 0.000 0.855 113 L CB -0.620 41.456 42.059 0.028 0.000 1.114 113 L HN 0.777 nan 8.230 nan 0.000 0.485 114 G N 1.567 110.394 108.800 0.045 0.000 2.523 114 G HA2 0.564 4.524 3.960 0.000 0.000 0.291 114 G HA3 0.564 4.524 3.960 0.000 0.000 0.291 114 G C -1.608 173.326 174.900 0.056 0.000 1.450 114 G CA -0.076 45.053 45.100 0.048 0.000 0.790 114 G HN 0.672 nan 8.290 nan 0.000 0.496 115 V N -1.718 118.230 119.914 0.056 0.000 2.769 115 V HA 1.060 5.180 4.120 0.000 0.000 0.312 115 V C 0.301 176.430 176.094 0.059 0.000 1.058 115 V CA -0.069 62.270 62.300 0.065 0.000 0.952 115 V CB 1.504 33.367 31.823 0.066 0.000 1.019 115 V HN 1.967 nan 8.190 nan 0.000 0.445 116 G N 2.549 111.391 108.800 0.069 0.000 2.718 116 G HA2 0.648 4.608 3.960 0.000 0.000 0.295 116 G HA3 0.648 4.608 3.960 0.000 0.000 0.295 116 G C -1.544 173.373 174.900 0.029 0.000 1.421 116 G CA -1.026 44.105 45.100 0.052 0.000 0.902 116 G HN 0.900 nan 8.290 nan 0.000 0.501 117 L N 0.476 121.701 121.223 0.003 0.000 2.352 117 L HA 0.750 5.090 4.340 0.000 0.000 0.269 117 L C 0.196 176.998 176.870 -0.113 0.000 1.034 117 L CA -0.810 53.980 54.840 -0.083 0.000 0.806 117 L CB 2.050 44.075 42.059 -0.058 0.000 1.244 117 L HN 0.478 nan 8.230 nan 0.000 0.447 118 S N -0.291 115.202 115.700 -0.344 0.000 2.548 118 S HA 0.900 5.370 4.470 0.000 0.000 0.286 118 S C -0.223 174.143 174.600 -0.391 0.000 1.098 118 S CA -0.652 57.255 58.200 -0.488 0.000 0.930 118 S CB 2.205 64.975 63.200 -0.716 0.000 1.070 118 S HN 0.901 nan 8.310 nan 0.000 0.480 119 G N 0.588 109.137 108.800 -0.418 0.000 2.645 119 G HA2 0.602 4.562 3.960 0.000 0.000 0.292 119 G HA3 0.602 4.562 3.960 0.000 0.000 0.292 119 G C -2.205 172.604 174.900 -0.152 0.000 1.415 119 G CA -0.455 44.512 45.100 -0.222 0.000 0.785 119 G HN 0.641 nan 8.290 nan 0.000 0.483 120 H N 0.007 119.005 119.070 -0.121 0.000 2.771 120 H HA 0.444 5.000 4.556 0.000 0.000 0.361 120 H C -2.070 173.170 175.328 -0.148 0.000 1.108 120 H CA -1.688 54.309 56.048 -0.084 0.000 1.201 120 H CB 3.087 32.874 29.762 0.043 0.000 1.681 120 H HN 0.138 nan 8.280 nan 0.000 0.534 121 P HA -0.047 nan 4.420 nan 0.000 0.217 121 P C -0.088 176.933 177.300 -0.464 0.000 1.150 121 P CA 1.327 64.160 63.100 -0.445 0.000 0.832 121 P CB 0.116 31.308 31.700 -0.846 0.000 0.787 122 F N -2.680 117.531 119.950 0.436 0.000 2.627 122 F HA 0.277 4.804 4.527 0.000 0.000 0.329 122 F C 0.311 176.051 175.800 -0.100 0.000 1.378 122 F CA -1.287 56.790 58.000 0.128 0.000 1.134 122 F CB -0.361 38.684 39.000 0.076 0.000 1.229 122 F HN -0.193 nan 8.300 nan 0.000 0.537 123 Y N 2.063 122.301 120.300 -0.104 0.000 2.610 123 Y HA 0.047 4.597 4.550 0.000 0.000 0.332 123 Y C 0.712 176.493 175.900 -0.198 0.000 1.201 123 Y CA -0.163 57.795 58.100 -0.236 0.000 1.465 123 Y CB 0.466 38.816 38.460 -0.184 0.000 1.283 123 Y HN 0.275 nan 8.280 nan 0.000 0.563 124 N N 6.402 124.836 118.700 -0.444 0.000 2.663 124 N HA 0.088 4.828 4.740 0.000 0.000 0.250 124 N C -1.450 173.928 175.510 -0.220 0.000 1.129 124 N CA -0.102 52.776 53.050 -0.286 0.000 0.995 124 N CB -0.143 38.159 38.487 -0.308 0.000 1.324 124 N HN 0.624 nan 8.380 nan 0.000 0.512 125 K N 4.178 124.524 120.400 -0.091 0.000 2.535 125 K HA 0.142 4.462 4.320 0.000 0.000 0.253 125 K C 0.331 176.863 176.600 -0.113 0.000 0.953 125 K CA -0.616 55.587 56.287 -0.140 0.000 0.863 125 K CB 1.109 33.368 32.500 -0.401 0.000 1.111 125 K HN 0.278 nan 8.250 nan 0.000 0.431 126 L N 3.857 125.057 121.223 -0.039 0.000 1.982 126 L HA 0.037 4.377 4.340 0.000 0.000 0.206 126 L C -0.347 176.531 176.870 0.013 0.000 1.078 126 L CA 2.059 56.894 54.840 -0.009 0.000 0.749 126 L CB -0.067 42.001 42.059 0.014 0.000 0.894 126 L HN 0.879 nan 8.230 nan 0.000 0.436 127 D N -3.154 117.298 120.400 0.088 0.000 2.692 127 D HA 0.234 4.874 4.640 0.000 0.000 0.290 127 D C -1.632 174.870 176.300 0.336 0.000 1.281 127 D CA -0.627 53.461 54.000 0.147 0.000 0.804 127 D CB 0.160 41.032 40.800 0.120 0.000 1.331 127 D HN 0.010 nan 8.370 nan 0.000 0.432 128 D N -0.819 119.783 120.400 0.337 0.000 2.316 128 D HA 0.351 4.991 4.640 0.000 0.000 0.245 128 D C 0.344 176.832 176.300 0.314 0.000 1.171 128 D CA -0.306 53.955 54.000 0.435 0.000 0.856 128 D CB 0.830 41.824 40.800 0.323 0.000 1.090 128 D HN 0.418 nan 8.370 nan 0.000 0.476 129 T N 0.169 114.934 114.554 0.351 0.000 3.243 129 T HA 0.141 4.491 4.350 0.000 0.000 0.264 129 T C 1.013 175.869 174.700 0.260 0.000 1.000 129 T CA -0.469 61.805 62.100 0.290 0.000 0.901 129 T CB 0.187 69.276 68.868 0.367 0.000 1.083 129 T HN 0.521 nan 8.240 nan 0.000 0.559 130 E N 1.942 122.270 120.200 0.212 0.000 2.099 130 E HA 0.009 4.359 4.350 0.000 0.000 0.191 130 E C 0.647 177.287 176.600 0.068 0.000 0.962 130 E CA 0.881 57.362 56.400 0.134 0.000 0.826 130 E CB 0.404 29.977 29.700 -0.212 0.000 0.788 130 E HN 0.560 nan 8.360 nan 0.000 0.461 131 S N 0.497 116.226 115.700 0.049 0.000 2.552 131 S HA 0.096 4.566 4.470 0.000 0.000 0.183 131 S C -0.413 174.209 174.600 0.038 0.000 0.841 131 S CA -0.277 57.938 58.200 0.025 0.000 1.048 131 S CB -0.429 62.755 63.200 -0.027 0.000 1.714 131 S HN 0.237 nan 8.310 nan 0.000 0.488 132 S N 1.228 116.980 115.700 0.086 0.000 2.561 132 S HA 0.051 4.521 4.470 0.000 0.000 0.294 132 S C 1.136 175.793 174.600 0.095 0.000 1.294 132 S CA -0.035 58.231 58.200 0.110 0.000 1.055 132 S CB 0.022 63.299 63.200 0.129 0.000 0.819 132 S HN 0.541 nan 8.310 nan 0.000 0.503 133 H N 2.514 121.612 119.070 0.048 0.000 2.394 133 H HA -0.123 4.433 4.556 0.000 0.000 0.297 133 H C 1.151 176.500 175.328 0.034 0.000 1.113 133 H CA 2.024 58.093 56.048 0.036 0.000 1.277 133 H CB -0.207 29.575 29.762 0.032 0.000 1.370 133 H HN 0.873 nan 8.280 nan 0.000 0.506 134 A N -0.931 121.999 122.820 0.183 0.000 5.519 134 A HA 0.603 4.923 4.320 0.000 0.000 0.158 134 A C -0.246 177.393 177.584 0.092 0.000 0.860 134 A CA 0.135 52.242 52.037 0.117 0.000 1.134 134 A CB -0.515 18.551 19.000 0.110 0.000 2.248 134 A HN 0.372 nan 8.150 nan 0.000 1.056 135 A N -0.437 122.427 122.820 0.073 0.000 2.454 135 A HA 0.518 4.838 4.320 0.000 0.000 0.256 135 A C 0.716 178.340 177.584 0.065 0.000 1.132 135 A CA 1.265 53.339 52.037 0.061 0.000 0.810 135 A CB -0.701 18.326 19.000 0.045 0.000 1.083 135 A HN 2.155 nan 8.150 nan 0.000 0.516 136 T N -2.347 112.241 114.554 0.056 0.000 2.865 136 T HA 0.628 4.978 4.350 0.000 0.000 0.294 136 T C 0.195 174.917 174.700 0.037 0.000 1.119 136 T CA -0.063 62.071 62.100 0.055 0.000 1.007 136 T CB 0.605 69.515 68.868 0.070 0.000 1.225 136 T HN 1.596 nan 8.240 nan 0.000 0.515 137 S N 1.210 116.929 115.700 0.032 0.000 2.555 137 S HA 0.034 4.504 4.470 0.000 0.000 0.264 137 S C 0.310 174.918 174.600 0.014 0.000 1.378 137 S CA -0.459 57.753 58.200 0.019 0.000 0.996 137 S CB -0.521 62.688 63.200 0.015 0.000 0.869 137 S HN 0.907 nan 8.310 nan 0.000 0.546 138 N N -0.470 118.234 118.700 0.007 0.000 2.520 138 N HA 0.161 4.901 4.740 0.000 0.000 0.273 138 N C -0.082 175.426 175.510 -0.003 0.000 1.155 138 N CA -0.441 52.611 53.050 0.002 0.000 0.967 138 N CB 0.552 39.039 38.487 0.000 0.000 1.092 138 N HN 0.479 nan 8.380 nan 0.000 0.457 139 V N 2.958 122.868 119.914 -0.007 0.000 3.102 139 V HA -0.029 4.091 4.120 0.000 0.000 0.371 139 V C 1.678 177.762 176.094 -0.017 0.000 1.414 139 V CA 0.481 62.773 62.300 -0.014 0.000 1.565 139 V CB -1.801 30.011 31.823 -0.019 0.000 1.273 139 V HN 0.761 nan 8.190 nan 0.000 0.478 140 S N 0.006 115.696 115.700 -0.015 0.000 2.325 140 S HA 0.027 4.497 4.470 0.000 0.000 0.213 140 S C 0.677 175.263 174.600 -0.023 0.000 1.031 140 S CA 0.721 58.911 58.200 -0.016 0.000 0.984 140 S CB 0.344 63.536 63.200 -0.013 0.000 0.939 140 S HN 0.715 nan 8.310 nan 0.000 0.438 141 E N -0.283 119.902 120.200 -0.025 0.000 2.470 141 E HA 0.135 4.486 4.350 0.000 0.000 0.287 141 E C -2.047 174.531 176.600 -0.036 0.000 1.126 141 E CA -0.410 55.970 56.400 -0.034 0.000 0.902 141 E CB 0.764 30.443 29.700 -0.034 0.000 1.196 141 E HN 0.165 nan 8.360 nan 0.000 0.430 142 D N 2.288 122.659 120.400 -0.048 0.000 3.514 142 D HA -0.120 4.520 4.640 0.000 0.000 0.213 142 D C -0.265 176.018 176.300 -0.028 0.000 1.118 142 D CA 1.282 55.251 54.000 -0.053 0.000 1.071 142 D CB -0.291 40.467 40.800 -0.071 0.000 0.781 142 D HN 0.225 nan 8.370 nan 0.000 0.384 143 V N 4.207 124.107 119.914 -0.022 0.000 3.199 143 V HA 0.118 4.238 4.120 0.000 0.000 0.331 143 V C 1.095 177.185 176.094 -0.005 0.000 1.446 143 V CA -0.362 61.931 62.300 -0.011 0.000 1.120 143 V CB 0.085 31.897 31.823 -0.018 0.000 1.051 143 V HN 0.343 nan 8.190 nan 0.000 0.495 144 R N 1.840 122.348 120.500 0.013 0.000 2.537 144 R HA 0.312 4.652 4.340 0.000 0.000 0.280 144 R C -0.714 175.641 176.300 0.092 0.000 1.058 144 R CA 0.350 56.480 56.100 0.050 0.000 1.057 144 R CB 0.424 30.785 30.300 0.102 0.000 0.973 144 R HN 0.327 nan 8.270 nan 0.000 0.438 145 D N 0.803 121.228 120.400 0.042 0.000 2.423 145 D HA 0.082 4.722 4.640 0.000 0.000 0.235 145 D C -0.641 175.647 176.300 -0.020 0.000 1.011 145 D CA -0.707 53.292 54.000 -0.001 0.000 0.963 145 D CB 1.202 41.955 40.800 -0.078 0.000 1.349 145 D HN 0.342 nan 8.370 nan 0.000 0.508 146 N N 1.294 119.957 118.700 -0.062 0.000 2.401 146 N HA 0.205 4.945 4.740 0.000 0.000 0.255 146 N C -0.825 174.607 175.510 -0.129 0.000 1.110 146 N CA -0.109 52.883 53.050 -0.096 0.000 0.949 146 N CB 0.478 38.901 38.487 -0.107 0.000 1.110 146 N HN 0.283 nan 8.380 nan 0.000 0.490 147 V N 1.112 120.926 119.914 -0.167 0.000 3.001 147 V HA 0.852 4.972 4.120 0.000 0.000 0.314 147 V C -0.042 175.920 176.094 -0.219 0.000 1.099 147 V CA -0.763 61.379 62.300 -0.264 0.000 0.989 147 V CB 1.517 33.007 31.823 -0.554 0.000 1.040 147 V HN 0.667 nan 8.190 nan 0.000 0.434 148 S N 1.808 117.404 115.700 -0.173 0.000 2.745 148 S HA 0.964 5.434 4.470 0.000 0.000 0.306 148 S C -0.724 173.808 174.600 -0.114 0.000 1.137 148 S CA -0.302 57.808 58.200 -0.150 0.000 0.900 148 S CB 1.712 64.843 63.200 -0.117 0.000 1.176 148 S HN 2.362 nan 8.310 nan 0.000 0.520 149 V N 1.258 121.091 119.914 -0.136 0.000 2.971 149 V HA 0.370 4.490 4.120 0.000 0.000 0.281 149 V C -2.257 173.714 176.094 -0.205 0.000 1.470 149 V CA -0.610 61.633 62.300 -0.094 0.000 0.966 149 V CB 2.016 33.860 31.823 0.036 0.000 1.156 149 V HN 1.210 nan 8.190 nan 0.000 0.441 150 D N 5.653 125.980 120.400 -0.122 0.000 2.249 150 D HA 0.293 4.933 4.640 0.000 0.000 0.246 150 D C -0.259 176.016 176.300 -0.043 0.000 1.114 150 D CA -0.139 53.794 54.000 -0.111 0.000 0.854 150 D CB 1.135 41.930 40.800 -0.008 0.000 1.132 150 D HN 0.585 nan 8.370 nan 0.000 0.461 151 Y N 0.420 120.668 120.300 -0.086 0.000 2.230 151 Y HA 0.055 4.605 4.550 0.000 0.000 0.354 151 Y C 1.607 177.502 175.900 -0.010 0.000 1.343 151 Y CA -1.095 56.906 58.100 -0.166 0.000 1.693 151 Y CB 0.925 39.018 38.460 -0.611 0.000 1.553 151 Y HN 0.305 nan 8.280 nan 0.000 0.599 152 K N 1.463 121.973 120.400 0.184 0.000 2.336 152 K HA -0.017 4.303 4.320 0.000 0.000 0.262 152 K C -0.686 176.064 176.600 0.249 0.000 0.992 152 K CA -0.334 56.036 56.287 0.138 0.000 0.927 152 K CB 0.589 33.134 32.500 0.074 0.000 0.956 152 K HN 0.630 nan 8.250 nan 0.000 0.495 153 Q N 1.888 121.802 119.800 0.190 0.000 2.271 153 Q HA 0.260 4.600 4.340 0.000 0.000 0.258 153 Q C -1.401 174.697 176.000 0.163 0.000 0.936 153 Q CA -0.482 55.438 55.803 0.195 0.000 0.909 153 Q CB 1.670 30.495 28.738 0.146 0.000 1.253 153 Q HN 0.739 nan 8.270 nan 0.000 0.440 154 T N 3.270 117.919 114.554 0.158 0.000 2.900 154 T HA 0.431 4.781 4.350 0.000 0.000 0.303 154 T C -1.346 173.427 174.700 0.121 0.000 1.142 154 T CA -0.748 61.437 62.100 0.141 0.000 1.007 154 T CB 1.771 70.738 68.868 0.164 0.000 1.156 154 T HN 0.576 nan 8.240 nan 0.000 0.490 155 Q N 1.685 121.549 119.800 0.107 0.000 2.275 155 Q HA 0.622 4.962 4.340 0.000 0.000 0.258 155 Q C -1.562 174.508 176.000 0.118 0.000 0.960 155 Q CA -0.810 55.065 55.803 0.119 0.000 0.801 155 Q CB 2.213 30.926 28.738 -0.041 0.000 1.302 155 Q HN 0.627 nan 8.270 nan 0.000 0.433 156 L N -0.784 120.578 121.223 0.232 0.000 2.469 156 L HA 0.998 5.338 4.340 0.000 0.000 0.256 156 L C -1.326 175.728 176.870 0.307 0.000 1.006 156 L CA -0.816 54.143 54.840 0.198 0.000 0.832 156 L CB 2.214 44.399 42.059 0.210 0.000 1.421 156 L HN 0.686 nan 8.230 nan 0.000 0.410 157 C N 2.493 121.934 119.300 0.235 0.000 2.811 157 C HA 0.844 5.304 4.460 0.000 0.000 0.352 157 C C -1.198 173.905 174.990 0.187 0.000 1.098 157 C CA -0.396 58.794 59.018 0.285 0.000 1.295 157 C CB 0.458 28.466 27.740 0.446 0.000 1.758 157 C HN 0.886 nan 8.230 nan 0.000 0.488 158 I N 5.425 126.114 120.570 0.199 0.000 2.498 158 I HA 0.494 4.664 4.170 0.000 0.000 0.290 158 I C -0.666 175.563 176.117 0.188 0.000 1.032 158 I CA -0.643 60.752 61.300 0.159 0.000 1.073 158 I CB 1.759 39.797 38.000 0.064 0.000 1.251 158 I HN 0.513 nan 8.210 nan 0.000 0.426 159 L N 4.613 125.974 121.223 0.229 0.000 2.334 159 L HA 0.906 5.246 4.340 0.000 0.000 0.276 159 L C 0.212 176.868 176.870 -0.356 0.000 1.014 159 L CA -0.289 54.635 54.840 0.139 0.000 0.815 159 L CB 1.973 44.268 42.059 0.393 0.000 1.268 159 L HN 0.876 nan 8.230 nan 0.000 0.428 160 G N 0.218 108.707 108.800 -0.518 0.000 2.430 160 G HA2 0.289 4.249 3.960 0.000 0.000 0.300 160 G HA3 0.289 4.249 3.960 0.000 0.000 0.300 160 G C -0.723 174.023 174.900 -0.257 0.000 1.330 160 G CA -0.137 44.348 45.100 -1.026 0.000 0.813 160 G HN 0.700 nan 8.290 nan 0.000 0.487 161 C N -0.907 118.357 119.300 -0.060 0.000 2.742 161 C HA 0.841 5.301 4.460 0.000 0.000 0.283 161 C C 0.685 175.833 174.990 0.262 0.000 1.451 161 C CA -0.108 59.067 59.018 0.262 0.000 1.785 161 C CB -1.329 26.629 27.740 0.363 0.000 2.664 161 C HN 1.724 nan 8.230 nan 0.000 0.544 162 A N 1.308 124.124 122.820 -0.006 0.000 2.574 162 A HA 0.898 5.218 4.320 0.000 0.000 0.297 162 A C -3.035 173.927 177.584 -1.038 0.000 1.062 162 A CA -1.052 50.722 52.037 -0.437 0.000 0.686 162 A CB 1.169 20.067 19.000 -0.169 0.000 1.285 162 A HN 0.195 nan 8.150 nan 0.000 0.403 163 P HA 0.365 nan 4.420 nan 0.000 0.269 163 P C 0.087 177.039 177.300 -0.581 0.000 1.215 163 P CA 0.301 62.586 63.100 -1.358 0.000 0.780 163 P CB 0.929 31.842 31.700 -1.311 0.000 0.898 164 A N 2.437 125.031 122.820 -0.377 0.000 2.287 164 A HA 0.509 4.829 4.320 0.000 0.000 0.273 164 A C 0.063 177.502 177.584 -0.242 0.000 1.091 164 A CA -0.415 51.465 52.037 -0.261 0.000 0.817 164 A CB -0.173 18.700 19.000 -0.213 0.000 1.069 164 A HN 0.466 nan 8.150 nan 0.000 0.492 165 I N -0.034 120.404 120.570 -0.219 0.000 2.493 165 I HA 0.570 4.740 4.170 0.000 0.000 0.298 165 I C 0.783 176.765 176.117 -0.225 0.000 0.998 165 I CA 0.402 61.585 61.300 -0.194 0.000 1.137 165 I CB 2.096 40.008 38.000 -0.147 0.000 1.310 165 I HN 0.716 nan 8.210 nan 0.000 0.445 166 G N 3.655 112.342 108.800 -0.189 0.000 2.537 166 G HA2 0.724 4.684 3.960 0.000 0.000 0.308 166 G HA3 0.724 4.684 3.960 0.000 0.000 0.308 166 G C -1.438 173.418 174.900 -0.073 0.000 1.237 166 G CA -0.491 44.510 45.100 -0.165 0.000 0.968 166 G HN 0.612 nan 8.290 nan 0.000 0.481 167 E N -0.346 119.843 120.200 -0.019 0.000 2.244 167 E HA 0.693 5.044 4.350 0.000 0.000 0.266 167 E C -1.044 175.598 176.600 0.070 0.000 0.914 167 E CA -0.965 55.411 56.400 -0.039 0.000 0.794 167 E CB 2.242 31.894 29.700 -0.080 0.000 1.210 167 E HN 0.760 nan 8.360 nan 0.000 0.414 168 H N 0.151 119.097 119.070 -0.207 0.000 3.003 168 H HA 0.247 4.803 4.556 0.000 0.000 0.327 168 H C -1.890 173.231 175.328 -0.344 0.000 1.353 168 H CA -1.173 54.782 56.048 -0.154 0.000 1.142 168 H CB 0.188 29.943 29.762 -0.011 0.000 1.864 168 H HN 0.616 nan 8.280 nan 0.000 0.529 169 W N 1.093 122.379 121.300 -0.023 0.000 2.376 169 W HA 0.709 5.369 4.660 0.000 0.000 0.322 169 W C -0.004 176.456 176.519 -0.098 0.000 1.160 169 W CA 0.135 57.411 57.345 -0.115 0.000 1.218 169 W CB 1.718 31.138 29.460 -0.067 0.000 1.205 169 W HN 0.867 nan 8.180 nan 0.000 0.559 170 A N 2.238 125.084 122.820 0.044 0.000 2.564 170 A HA 0.633 4.953 4.320 0.000 0.000 0.288 170 A C -1.326 176.290 177.584 0.053 0.000 1.164 170 A CA -1.134 50.922 52.037 0.033 0.000 0.712 170 A CB 1.606 20.561 19.000 -0.075 0.000 1.303 170 A HN 0.523 nan 8.150 nan 0.000 0.418 171 K N 1.100 121.524 120.400 0.040 0.000 2.284 171 K HA 0.402 4.722 4.320 0.000 0.000 0.287 171 K C 0.479 177.093 176.600 0.022 0.000 1.081 171 K CA 0.089 56.395 56.287 0.032 0.000 0.910 171 K CB 0.239 32.754 32.500 0.024 0.000 1.088 171 K HN 0.927 nan 8.250 nan 0.000 0.478 172 G N 2.935 111.751 108.800 0.027 0.000 2.414 172 G HA2 -0.045 3.915 3.960 0.000 0.000 0.236 172 G HA3 -0.045 3.915 3.960 0.000 0.000 0.236 172 G C -0.315 174.590 174.900 0.009 0.000 1.293 172 G CA -0.374 44.736 45.100 0.018 0.000 0.869 172 G HN 0.683 nan 8.290 nan 0.000 0.556 173 T N 1.272 115.828 114.554 0.002 0.000 2.871 173 T HA 0.347 4.698 4.350 0.000 0.000 0.296 173 T C 0.898 175.599 174.700 0.002 0.000 0.998 173 T CA 0.383 62.483 62.100 0.001 0.000 1.162 173 T CB 0.736 69.602 68.868 -0.003 0.000 0.947 173 T HN 0.891 nan 8.240 nan 0.000 0.536 174 A N 4.293 127.115 122.820 0.002 0.000 2.491 174 A HA 0.428 4.748 4.320 0.000 0.000 0.261 174 A C 0.973 178.558 177.584 0.001 0.000 1.101 174 A CA -0.715 51.323 52.037 0.002 0.000 0.772 174 A CB -0.142 18.858 19.000 0.001 0.000 1.043 174 A HN 0.963 nan 8.150 nan 0.000 0.501 175 S N 2.787 118.487 115.700 0.001 0.000 2.510 175 S HA 0.162 4.632 4.470 0.000 0.000 0.279 175 S C 1.022 175.621 174.600 -0.001 0.000 1.284 175 S CA -0.052 58.148 58.200 0.000 0.000 1.059 175 S CB 0.882 64.082 63.200 0.001 0.000 0.901 175 S HN 0.787 nan 8.310 nan 0.000 0.491 176 K N 2.962 123.361 120.400 -0.001 0.000 2.044 176 K HA -0.200 4.120 4.320 0.000 0.000 0.210 176 K C 2.228 178.827 176.600 -0.001 0.000 1.049 176 K CA 1.809 58.095 56.287 -0.002 0.000 0.927 176 K CB -1.084 31.415 32.500 -0.002 0.000 0.713 176 K HN 0.750 nan 8.250 nan 0.000 0.443 177 S N 0.559 116.259 115.700 -0.001 0.000 2.374 177 S HA -0.153 4.317 4.470 0.000 0.000 0.227 177 S C 1.403 176.002 174.600 -0.001 0.000 1.037 177 S CA 0.783 58.982 58.200 -0.001 0.000 1.024 177 S CB -0.162 63.037 63.200 -0.001 0.000 0.861 177 S HN 0.229 nan 8.310 nan 0.000 0.456 178 R N 2.308 122.807 120.500 -0.001 0.000 2.585 178 R HA 0.443 4.783 4.340 0.000 0.000 0.278 178 R C -2.967 173.332 176.300 -0.001 0.000 1.663 178 R CA -2.331 53.768 56.100 -0.001 0.000 1.592 178 R CB 0.887 31.186 30.300 -0.001 0.000 1.200 178 R HN 0.413 nan 8.270 nan 0.000 0.611 179 P HA 0.018 nan 4.420 nan 0.000 0.271 179 P C -0.535 176.764 177.300 -0.002 0.000 1.233 179 P CA -0.540 62.559 63.100 -0.002 0.000 0.789 179 P CB 1.118 32.817 31.700 -0.002 0.000 0.951 180 L N 1.897 123.119 121.223 -0.002 0.000 2.298 180 L HA 0.245 4.585 4.340 0.000 0.000 0.284 180 L C 0.157 177.024 176.870 -0.004 0.000 1.013 180 L CA -0.221 54.618 54.840 -0.003 0.000 0.824 180 L CB 0.853 42.911 42.059 -0.002 0.000 1.221 180 L HN 0.408 nan 8.230 nan 0.000 0.418 181 S N 2.802 118.499 115.700 -0.005 0.000 2.549 181 S HA 0.245 4.715 4.470 0.000 0.000 0.283 181 S C 0.067 174.663 174.600 -0.007 0.000 1.320 181 S CA -0.607 57.590 58.200 -0.006 0.000 1.058 181 S CB 0.691 63.887 63.200 -0.006 0.000 0.882 181 S HN 0.614 nan 8.310 nan 0.000 0.498 182 Q N 1.490 121.285 119.800 -0.007 0.000 2.269 182 Q HA 0.384 4.724 4.340 0.000 0.000 0.300 182 Q C 1.226 177.220 176.000 -0.010 0.000 1.070 182 Q CA 1.726 57.524 55.803 -0.008 0.000 0.957 182 Q CB -0.238 28.495 28.738 -0.009 0.000 1.131 182 Q HN 1.238 nan 8.270 nan 0.000 0.377 183 G N 3.239 112.033 108.800 -0.011 0.000 2.380 183 G HA2 -0.171 3.789 3.960 0.000 0.000 0.197 183 G HA3 -0.171 3.789 3.960 0.000 0.000 0.197 183 G C -0.354 174.537 174.900 -0.014 0.000 1.001 183 G CA -0.127 44.964 45.100 -0.014 0.000 0.668 183 G HN 0.623 nan 8.290 nan 0.000 0.483 184 D N 0.120 120.513 120.400 -0.012 0.000 2.354 184 D HA 0.507 5.147 4.640 0.000 0.000 0.247 184 D C 0.608 176.900 176.300 -0.013 0.000 1.138 184 D CA -0.013 53.979 54.000 -0.012 0.000 0.958 184 D CB 1.343 42.137 40.800 -0.010 0.000 1.144 184 D HN 0.390 nan 8.370 nan 0.000 0.458 185 C N 2.526 121.816 119.300 -0.015 0.000 2.415 185 C HA 0.481 4.941 4.460 0.000 0.000 0.369 185 C C -2.048 172.934 174.990 -0.013 0.000 1.279 185 C CA -1.382 57.626 59.018 -0.018 0.000 1.886 185 C CB -0.636 27.090 27.740 -0.024 0.000 2.468 185 C HN 0.436 nan 8.230 nan 0.000 0.553 186 P HA 0.367 nan 4.420 nan 0.000 0.273 186 P C -2.723 174.577 177.300 0.000 0.000 1.250 186 P CA -0.985 62.114 63.100 -0.002 0.000 0.793 186 P CB -0.126 31.575 31.700 0.002 0.000 1.011 187 P HA 0.251 nan 4.420 nan 0.000 0.292 187 P C -0.873 176.454 177.300 0.044 0.000 1.283 187 P CA -0.349 62.762 63.100 0.018 0.000 0.835 187 P CB 0.787 32.499 31.700 0.021 0.000 1.017 188 L N 2.105 123.369 121.223 0.068 0.000 2.326 188 L HA 0.414 4.754 4.340 0.000 0.000 0.278 188 L C 0.829 177.860 176.870 0.268 0.000 1.092 188 L CA 0.113 55.055 54.840 0.170 0.000 0.810 188 L CB 0.112 42.260 42.059 0.148 0.000 1.153 188 L HN 0.598 nan 8.230 nan 0.000 0.439 189 E N 2.284 122.620 120.200 0.226 0.000 2.248 189 E HA 0.372 4.722 4.350 0.000 0.000 0.267 189 E C -1.422 175.062 176.600 -0.193 0.000 0.877 189 E CA -0.927 55.523 56.400 0.083 0.000 0.759 189 E CB 2.419 32.110 29.700 -0.014 0.000 1.182 189 E HN 0.404 nan 8.360 nan 0.000 0.418 190 L N 4.161 125.082 121.223 -0.503 0.000 2.313 190 L HA 0.357 4.697 4.340 0.000 0.000 0.282 190 L C -0.897 175.648 176.870 -0.542 0.000 1.092 190 L CA 0.281 54.557 54.840 -0.940 0.000 0.831 190 L CB 0.412 41.807 42.059 -1.106 0.000 1.159 190 L HN 0.411 nan 8.230 nan 0.000 0.442 191 K N 4.118 124.161 120.400 -0.594 0.000 2.292 191 K HA 0.398 4.718 4.320 0.000 0.000 0.257 191 K C -0.897 175.525 176.600 -0.298 0.000 0.940 191 K CA -0.940 55.102 56.287 -0.407 0.000 0.811 191 K CB 1.400 33.628 32.500 -0.453 0.000 1.120 191 K HN 0.598 nan 8.250 nan 0.000 0.428 192 N N 0.950 119.546 118.700 -0.174 0.000 2.509 192 N HA 0.310 5.050 4.740 0.000 0.000 0.287 192 N C -0.604 174.869 175.510 -0.061 0.000 1.121 192 N CA 0.147 53.129 53.050 -0.112 0.000 0.977 192 N CB 1.848 40.275 38.487 -0.099 0.000 1.167 192 N HN 0.556 nan 8.380 nan 0.000 0.476 193 T N -0.730 113.798 114.554 -0.045 0.000 2.885 193 T HA 0.305 4.655 4.350 0.000 0.000 0.322 193 T C -1.148 173.505 174.700 -0.080 0.000 1.387 193 T CA -0.600 61.480 62.100 -0.033 0.000 1.041 193 T CB 0.638 69.523 68.868 0.029 0.000 1.287 193 T HN 0.025 nan 8.240 nan 0.000 0.491 194 V N 4.569 124.437 119.914 -0.078 0.000 2.637 194 V HA 0.301 4.421 4.120 0.000 0.000 0.296 194 V C 0.450 176.462 176.094 -0.136 0.000 1.046 194 V CA -0.257 61.979 62.300 -0.108 0.000 1.066 194 V CB 0.719 32.499 31.823 -0.072 0.000 0.968 194 V HN 0.713 nan 8.190 nan 0.000 0.483 195 L N 6.096 127.205 121.223 -0.190 0.000 2.363 195 L HA 0.325 4.665 4.340 0.000 0.000 0.286 195 L C 0.484 177.293 176.870 -0.102 0.000 1.106 195 L CA 0.205 54.882 54.840 -0.272 0.000 0.859 195 L CB -0.026 41.737 42.059 -0.494 0.000 1.223 195 L HN 0.687 nan 8.230 nan 0.000 0.446 196 E N 1.375 121.522 120.200 -0.088 0.000 2.250 196 E HA 0.174 4.524 4.350 0.000 0.000 0.269 196 E C -0.830 175.788 176.600 0.030 0.000 1.018 196 E CA -0.905 55.481 56.400 -0.024 0.000 0.873 196 E CB 1.412 31.009 29.700 -0.172 0.000 1.134 196 E HN 0.390 nan 8.360 nan 0.000 0.403 197 D N 0.010 120.469 120.400 0.098 0.000 2.401 197 D HA 0.222 4.862 4.640 0.000 0.000 0.254 197 D C 0.724 177.064 176.300 0.067 0.000 1.192 197 D CA 1.549 55.607 54.000 0.098 0.000 0.885 197 D CB 0.229 41.101 40.800 0.119 0.000 1.147 197 D HN 0.569 nan 8.370 nan 0.000 0.478 198 G N 3.403 112.269 108.800 0.111 0.000 2.284 198 G HA2 -0.203 3.757 3.960 0.000 0.000 0.201 198 G HA3 -0.203 3.757 3.960 0.000 0.000 0.201 198 G C 0.015 175.001 174.900 0.143 0.000 0.998 198 G CA -0.191 44.975 45.100 0.109 0.000 0.651 198 G HN 0.596 nan 8.290 nan 0.000 0.489 199 D N 1.554 122.047 120.400 0.155 0.000 2.382 199 D HA 0.430 5.070 4.640 0.000 0.000 0.240 199 D C 1.087 177.586 176.300 0.331 0.000 1.146 199 D CA 0.193 54.293 54.000 0.167 0.000 0.897 199 D CB 0.503 41.336 40.800 0.055 0.000 1.197 199 D HN 0.020 nan 8.370 nan 0.000 0.432 200 M N 0.957 120.719 119.600 0.269 0.000 2.255 200 M HA 0.162 4.642 4.480 0.000 0.000 0.336 200 M C 0.173 176.674 176.300 0.335 0.000 1.135 200 M CA -0.708 54.753 55.300 0.269 0.000 1.145 200 M CB 1.080 33.794 32.600 0.190 0.000 1.473 200 M HN 0.143 nan 8.290 nan 0.000 0.462 201 V N -0.809 119.216 119.914 0.185 0.000 3.262 201 V HA 0.427 4.548 4.120 0.000 0.000 0.313 201 V C 0.020 176.225 176.094 0.184 0.000 1.070 201 V CA -1.223 61.163 62.300 0.143 0.000 1.049 201 V CB 0.911 32.694 31.823 -0.066 0.000 1.157 201 V HN 0.790 nan 8.190 nan 0.000 0.454 202 D N 1.397 121.935 120.400 0.231 0.000 2.434 202 D HA 0.105 4.745 4.640 0.000 0.000 0.252 202 D C 1.165 177.500 176.300 0.058 0.000 1.185 202 D CA 0.799 54.900 54.000 0.168 0.000 0.886 202 D CB 1.218 42.111 40.800 0.154 0.000 1.148 202 D HN 0.940 nan 8.370 nan 0.000 0.483 203 T N 0.620 115.110 114.554 -0.107 0.000 3.069 203 T HA 0.400 4.750 4.350 0.000 0.000 0.252 203 T C 1.270 175.817 174.700 -0.255 0.000 1.053 203 T CA 0.149 62.031 62.100 -0.363 0.000 0.964 203 T CB 0.280 68.327 68.868 -1.370 0.000 1.005 203 T HN 0.606 nan 8.240 nan 0.000 0.532 204 G N 0.444 109.179 108.800 -0.108 0.000 2.273 204 G HA2 -0.151 3.809 3.960 0.000 0.000 0.162 204 G HA3 -0.151 3.809 3.960 0.000 0.000 0.162 204 G C 0.112 174.894 174.900 -0.197 0.000 1.006 204 G CA -0.297 44.710 45.100 -0.155 0.000 0.704 204 G HN 0.493 nan 8.290 nan 0.000 0.487 205 Y N 1.134 121.444 120.300 0.015 0.000 2.660 205 Y HA 0.491 5.041 4.550 0.000 0.000 0.254 205 Y C 1.368 177.410 175.900 0.237 0.000 1.176 205 Y CA 0.480 58.658 58.100 0.130 0.000 1.195 205 Y CB 1.232 39.774 38.460 0.137 0.000 1.190 205 Y HN 1.024 nan 8.280 nan 0.000 0.535 206 G N 0.616 109.580 108.800 0.272 0.000 2.617 206 G HA2 0.154 4.114 3.960 0.000 0.000 0.686 206 G HA3 0.154 4.114 3.960 0.000 0.000 0.686 206 G C -0.753 174.311 174.900 0.274 0.000 1.214 206 G CA -0.766 44.458 45.100 0.207 0.000 0.796 206 G HN 0.451 nan 8.290 nan 0.000 0.654 207 A N 2.176 125.145 122.820 0.249 0.000 2.666 207 A HA 0.738 5.058 4.320 0.000 0.000 0.312 207 A C 0.688 178.460 177.584 0.313 0.000 1.471 207 A CA 1.043 53.265 52.037 0.308 0.000 1.134 207 A CB -0.702 18.494 19.000 0.328 0.000 1.129 207 A HN 2.044 nan 8.150 nan 0.000 0.539 208 M N -0.007 119.678 119.600 0.141 0.000 3.079 208 M HA 0.559 5.039 4.480 0.000 0.000 0.277 208 M C -1.540 174.690 176.300 -0.117 0.000 1.317 208 M CA -0.846 54.473 55.300 0.032 0.000 0.793 208 M CB 1.451 33.923 32.600 -0.214 0.000 1.690 208 M HN 0.187 nan 8.290 nan 0.000 0.451 209 D N 0.818 121.203 120.400 -0.026 0.000 2.524 209 D HA 0.331 4.971 4.640 0.000 0.000 0.222 209 D C 0.155 176.409 176.300 -0.076 0.000 1.142 209 D CA -0.317 53.690 54.000 0.012 0.000 0.973 209 D CB -0.259 40.628 40.800 0.145 0.000 1.025 209 D HN 0.539 nan 8.370 nan 0.000 0.519 210 F N 1.081 121.070 119.950 0.064 0.000 2.192 210 F HA -0.250 4.277 4.527 0.000 0.000 0.301 210 F C 2.743 178.557 175.800 0.023 0.000 1.079 210 F CA 1.244 59.262 58.000 0.031 0.000 1.303 210 F CB -0.621 38.381 39.000 0.004 0.000 1.024 210 F HN 0.343 nan 8.300 nan 0.000 0.494 211 S N -0.910 114.904 115.700 0.190 0.000 2.399 211 S HA -0.184 4.286 4.470 0.000 0.000 0.231 211 S C 1.872 176.517 174.600 0.075 0.000 1.022 211 S CA 1.517 59.787 58.200 0.117 0.000 0.983 211 S CB -1.118 62.139 63.200 0.094 0.000 0.803 211 S HN 0.510 nan 8.310 nan 0.000 0.480 212 T N -2.418 112.172 114.554 0.060 0.000 3.001 212 T HA 0.383 4.733 4.350 0.000 0.000 0.251 212 T C 1.234 175.947 174.700 0.021 0.000 1.040 212 T CA -0.208 61.915 62.100 0.039 0.000 0.985 212 T CB 0.010 68.903 68.868 0.042 0.000 1.011 212 T HN 0.214 nan 8.240 nan 0.000 0.509 213 L N 0.559 121.786 121.223 0.007 0.000 2.556 213 L HA 0.482 4.822 4.340 0.000 0.000 0.226 213 L C 0.541 177.407 176.870 -0.007 0.000 1.089 213 L CA 0.749 55.579 54.840 -0.017 0.000 0.864 213 L CB -0.012 42.004 42.059 -0.070 0.000 1.067 213 L HN 0.353 nan 8.230 nan 0.000 0.477 214 Q N -0.486 119.328 119.800 0.023 0.000 2.394 214 Q HA 0.166 4.506 4.340 0.000 0.000 0.261 214 Q C -0.269 175.744 176.000 0.023 0.000 1.023 214 Q CA -0.288 55.533 55.803 0.029 0.000 0.720 214 Q CB 1.436 30.222 28.738 0.080 0.000 1.241 214 Q HN -0.016 nan 8.270 nan 0.000 0.483 215 D N 0.484 120.885 120.400 0.001 0.000 2.269 215 D HA -0.092 4.548 4.640 0.000 0.000 0.208 215 D C 1.347 177.639 176.300 -0.013 0.000 0.963 215 D CA 1.138 55.136 54.000 -0.003 0.000 0.864 215 D CB 0.414 41.207 40.800 -0.011 0.000 0.936 215 D HN 0.412 nan 8.370 nan 0.000 0.505 216 T N 0.363 114.899 114.554 -0.030 0.000 2.684 216 T HA -0.162 4.188 4.350 0.000 0.000 0.267 216 T C 0.962 175.637 174.700 -0.042 0.000 1.036 216 T CA 1.337 63.406 62.100 -0.053 0.000 1.148 216 T CB -0.030 68.784 68.868 -0.091 0.000 0.863 216 T HN 0.187 nan 8.240 nan 0.000 0.436 217 K N -1.496 118.889 120.400 -0.026 0.000 3.379 217 K HA -0.133 4.187 4.320 0.000 0.000 0.300 217 K C -0.295 176.278 176.600 -0.046 0.000 1.302 217 K CA 0.440 56.739 56.287 0.020 0.000 0.877 217 K CB -2.069 30.470 32.500 0.064 0.000 1.343 217 K HN 0.427 nan 8.250 nan 0.000 0.488 218 C N 0.024 119.196 119.300 -0.214 0.000 3.680 218 C HA 0.145 4.605 4.460 0.000 0.000 0.301 218 C C 1.261 175.931 174.990 -0.532 0.000 2.566 218 C CA -0.723 57.972 59.018 -0.538 0.000 1.614 218 C CB 0.137 27.636 27.740 -0.403 0.000 3.388 218 C HN 0.309 nan 8.230 nan 0.000 0.384 219 E N 1.177 121.143 120.200 -0.391 0.000 2.364 219 E HA 0.126 4.476 4.350 0.000 0.000 0.196 219 E C 0.772 177.015 176.600 -0.594 0.000 0.990 219 E CA 0.887 57.010 56.400 -0.461 0.000 0.886 219 E CB 0.702 30.283 29.700 -0.200 0.000 0.866 219 E HN 0.631 nan 8.360 nan 0.000 0.493 220 V N -2.150 117.487 119.914 -0.462 0.000 3.130 220 V HA 0.556 4.676 4.120 0.000 0.000 0.310 220 V C -2.886 173.137 176.094 -0.119 0.000 1.158 220 V CA -3.086 58.925 62.300 -0.481 0.000 1.029 220 V CB 1.589 32.911 31.823 -0.834 0.000 1.057 220 V HN -0.282 nan 8.190 nan 0.000 0.436 221 P HA 0.099 nan 4.420 nan 0.000 0.267 221 P C 0.774 178.083 177.300 0.015 0.000 1.201 221 P CA -0.047 63.092 63.100 0.066 0.000 0.775 221 P CB 0.336 32.070 31.700 0.056 0.000 0.854 222 L N 2.392 123.576 121.223 -0.066 0.000 2.137 222 L HA -0.207 4.133 4.340 0.000 0.000 0.213 222 L C 1.686 178.572 176.870 0.027 0.000 1.085 222 L CA 2.055 56.856 54.840 -0.064 0.000 0.760 222 L CB -1.409 40.563 42.059 -0.144 0.000 0.893 222 L HN 0.491 nan 8.230 nan 0.000 0.434 223 D N -1.310 119.093 120.400 0.004 0.000 2.347 223 D HA -0.113 4.527 4.640 0.000 0.000 0.213 223 D C 1.612 177.962 176.300 0.083 0.000 0.985 223 D CA 0.939 55.005 54.000 0.109 0.000 0.879 223 D CB -0.192 40.715 40.800 0.178 0.000 0.919 223 D HN 0.578 nan 8.370 nan 0.000 0.526 224 I N -2.927 117.631 120.570 -0.021 0.000 4.439 224 I HA 0.254 4.424 4.170 0.000 0.000 0.331 224 I C 2.023 178.032 176.117 -0.181 0.000 1.345 224 I CA -0.587 60.636 61.300 -0.127 0.000 1.193 224 I CB 0.004 37.793 38.000 -0.352 0.000 1.221 224 I HN 0.020 nan 8.210 nan 0.000 0.429 225 C N 1.869 121.106 119.300 -0.105 0.000 2.401 225 C HA -0.133 4.327 4.460 0.000 0.000 0.276 225 C C 2.000 177.023 174.990 0.055 0.000 1.233 225 C CA 1.444 60.434 59.018 -0.047 0.000 1.753 225 C CB -0.757 27.026 27.740 0.072 0.000 2.029 225 C HN 0.650 nan 8.230 nan 0.000 0.478 226 Q N 1.051 120.897 119.800 0.077 0.000 2.182 226 Q HA 0.385 4.725 4.340 0.000 0.000 0.270 226 Q C -0.106 175.960 176.000 0.111 0.000 0.861 226 Q CA 0.111 55.974 55.803 0.100 0.000 1.098 226 Q CB 1.025 29.810 28.738 0.078 0.000 1.188 226 Q HN 0.734 nan 8.270 nan 0.000 0.464 227 S N -0.599 115.186 115.700 0.141 0.000 2.810 227 S HA 0.645 5.115 4.470 0.000 0.000 0.315 227 S C -0.133 174.585 174.600 0.196 0.000 1.138 227 S CA -0.619 57.663 58.200 0.137 0.000 0.889 227 S CB 1.640 64.907 63.200 0.112 0.000 1.236 227 S HN 0.165 nan 8.310 nan 0.000 0.548 228 I N 0.947 121.585 120.570 0.113 0.000 2.406 228 I HA 0.356 4.526 4.170 0.000 0.000 0.290 228 I C -0.965 175.216 176.117 0.107 0.000 0.999 228 I CA -0.434 60.894 61.300 0.047 0.000 1.124 228 I CB 1.306 39.190 38.000 -0.194 0.000 1.289 228 I HN 0.473 nan 8.210 nan 0.000 0.441 229 C N 6.348 125.782 119.300 0.222 0.000 2.285 229 C HA 0.399 4.859 4.460 0.000 0.000 0.335 229 C C 0.330 175.452 174.990 0.221 0.000 1.267 229 C CA -0.735 58.440 59.018 0.262 0.000 1.762 229 C CB 0.096 28.065 27.740 0.381 0.000 2.365 229 C HN 0.676 nan 8.230 nan 0.000 0.527 230 K N 2.124 122.678 120.400 0.257 0.000 2.166 230 K HA 0.564 4.884 4.320 0.000 0.000 0.245 230 K C -1.274 175.579 176.600 0.422 0.000 0.967 230 K CA -0.567 55.867 56.287 0.246 0.000 0.863 230 K CB 1.835 34.365 32.500 0.050 0.000 1.107 230 K HN 0.631 nan 8.250 nan 0.000 0.436 231 Y N 1.401 121.814 120.300 0.189 0.000 2.442 231 Y HA 0.303 4.853 4.550 0.000 0.000 0.344 231 Y C -2.691 173.244 175.900 0.058 0.000 0.976 231 Y CA -2.617 55.605 58.100 0.203 0.000 1.040 231 Y CB 1.665 40.241 38.460 0.193 0.000 1.228 231 Y HN 0.406 nan 8.280 nan 0.000 0.451 232 P HA -0.049 nan 4.420 nan 0.000 0.262 232 P C -0.595 176.284 177.300 -0.702 0.000 1.182 232 P CA 0.508 63.161 63.100 -0.744 0.000 0.761 232 P CB 0.523 31.479 31.700 -1.240 0.000 0.795 233 D N 2.597 122.752 120.400 -0.408 0.000 2.713 233 D HA 0.036 4.676 4.640 0.000 0.000 0.229 233 D C 0.742 176.959 176.300 -0.139 0.000 1.136 233 D CA -0.208 53.683 54.000 -0.183 0.000 1.010 233 D CB -0.578 40.155 40.800 -0.111 0.000 1.084 233 D HN 0.303 nan 8.370 nan 0.000 0.495 234 Y N 0.373 120.635 120.300 -0.064 0.000 2.139 234 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 234 Y C 2.261 178.154 175.900 -0.012 0.000 1.179 234 Y CA 0.927 59.001 58.100 -0.044 0.000 1.161 234 Y CB -0.108 38.328 38.460 -0.039 0.000 0.970 234 Y HN 0.280 nan 8.280 nan 0.000 0.511 235 L N -0.463 120.865 121.223 0.175 0.000 1.994 235 L HA -0.262 4.078 4.340 0.000 0.000 0.208 235 L C 2.681 179.588 176.870 0.060 0.000 1.071 235 L CA 1.757 56.661 54.840 0.106 0.000 0.745 235 L CB -0.724 41.391 42.059 0.093 0.000 0.892 235 L HN 0.218 nan 8.230 nan 0.000 0.431 236 Q N 0.437 120.256 119.800 0.032 0.000 2.152 236 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 236 Q C 2.026 178.030 176.000 0.007 0.000 0.985 236 Q CA 2.029 57.836 55.803 0.006 0.000 0.863 236 Q CB -0.324 28.400 28.738 -0.023 0.000 0.904 236 Q HN 0.447 nan 8.270 nan 0.000 0.422 237 M N -0.530 119.073 119.600 0.004 0.000 2.419 237 M HA -0.003 4.477 4.480 0.000 0.000 0.264 237 M C 1.866 178.189 176.300 0.038 0.000 1.082 237 M CA 1.064 56.368 55.300 0.007 0.000 1.119 237 M CB 0.210 32.798 32.600 -0.020 0.000 1.398 237 M HN 0.146 nan 8.290 nan 0.000 0.453 238 S N 0.465 116.195 115.700 0.050 0.000 2.446 238 S HA 0.076 4.546 4.470 0.000 0.000 0.225 238 S C 2.049 176.669 174.600 0.032 0.000 1.016 238 S CA 0.951 59.179 58.200 0.047 0.000 0.943 238 S CB -0.073 63.156 63.200 0.048 0.000 0.786 238 S HN 0.529 nan 8.310 nan 0.000 0.508 239 A N 1.422 124.261 122.820 0.031 0.000 1.929 239 A HA 0.031 4.351 4.320 0.000 0.000 0.216 239 A C 0.814 178.413 177.584 0.025 0.000 1.176 239 A CA 0.386 52.437 52.037 0.023 0.000 0.628 239 A CB -0.642 18.370 19.000 0.021 0.000 0.816 239 A HN 0.401 nan 8.150 nan 0.000 0.444 240 D N 0.544 120.964 120.400 0.034 0.000 3.264 240 D HA -0.079 4.561 4.640 0.000 0.000 0.213 240 D C -0.786 175.551 176.300 0.062 0.000 1.112 240 D CA 0.159 54.191 54.000 0.054 0.000 0.777 240 D CB 0.766 41.613 40.800 0.078 0.000 1.156 240 D HN 0.246 nan 8.370 nan 0.000 0.556 241 P HA -0.190 nan 4.420 nan 0.000 0.216 241 P C 0.997 178.307 177.300 0.016 0.000 1.153 241 P CA 1.360 64.435 63.100 -0.041 0.000 0.844 241 P CB -0.002 31.582 31.700 -0.195 0.000 0.787 242 Y N 0.067 120.491 120.300 0.207 0.000 2.314 242 Y HA 0.216 4.766 4.550 0.000 0.000 0.294 242 Y C 1.822 177.899 175.900 0.294 0.000 1.119 242 Y CA 0.976 59.237 58.100 0.268 0.000 1.179 242 Y CB -0.617 37.957 38.460 0.190 0.000 1.025 242 Y HN 0.060 nan 8.280 nan 0.000 0.541 243 G N 0.618 109.629 108.800 0.351 0.000 2.248 243 G HA2 -0.232 3.728 3.960 0.000 0.000 0.252 243 G HA3 -0.232 3.728 3.960 0.000 0.000 0.252 243 G C 0.051 175.137 174.900 0.311 0.000 1.085 243 G CA 0.403 45.669 45.100 0.276 0.000 0.845 243 G HN 0.350 nan 8.290 nan 0.000 0.494 244 D N -0.292 120.269 120.400 0.268 0.000 2.367 244 D HA 0.148 4.788 4.640 0.000 0.000 0.207 244 D C 2.305 178.618 176.300 0.023 0.000 1.034 244 D CA 0.936 55.078 54.000 0.236 0.000 0.861 244 D CB 0.238 41.198 40.800 0.268 0.000 0.943 244 D HN 0.365 nan 8.370 nan 0.000 0.515 245 S N 0.240 115.941 115.700 0.002 0.000 2.377 245 S HA 0.031 4.501 4.470 0.000 0.000 0.223 245 S C 1.019 175.521 174.600 -0.162 0.000 1.030 245 S CA 0.575 58.716 58.200 -0.099 0.000 0.970 245 S CB 0.073 63.237 63.200 -0.058 0.000 0.830 245 S HN 0.371 nan 8.310 nan 0.000 0.473 246 M N -0.290 119.248 119.600 -0.104 0.000 2.274 246 M HA 0.480 4.960 4.480 0.000 0.000 0.272 246 M C -1.257 175.077 176.300 0.056 0.000 1.053 246 M CA -0.731 54.499 55.300 -0.117 0.000 0.978 246 M CB 1.156 33.746 32.600 -0.017 0.000 1.836 246 M HN 0.028 nan 8.290 nan 0.000 0.484 247 F N 0.925 120.980 119.950 0.175 0.000 2.735 247 F HA 0.736 5.263 4.527 0.000 0.000 0.308 247 F C -1.092 174.878 175.800 0.284 0.000 1.112 247 F CA -1.440 56.671 58.000 0.184 0.000 1.235 247 F CB -0.008 39.090 39.000 0.163 0.000 1.027 247 F HN 0.527 nan 8.300 nan 0.000 0.528 248 F N 1.530 121.647 119.950 0.279 0.000 2.652 248 F HA 0.520 5.047 4.527 0.000 0.000 0.320 248 F C -1.865 173.996 175.800 0.103 0.000 1.115 248 F CA -1.698 56.416 58.000 0.190 0.000 1.053 248 F CB 1.038 40.182 39.000 0.240 0.000 1.297 248 F HN 0.167 nan 8.300 nan 0.000 0.471 249 C N 7.931 126.912 119.300 -0.532 0.000 2.752 249 C HA 0.858 5.318 4.460 0.000 0.000 0.360 249 C C -2.413 172.298 174.990 -0.464 0.000 1.081 249 C CA -0.560 58.291 59.018 -0.279 0.000 1.272 249 C CB 0.427 28.139 27.740 -0.047 0.000 1.754 249 C HN 0.777 nan 8.230 nan 0.000 0.483 250 L N 6.568 127.581 121.223 -0.350 0.000 2.404 250 L HA 0.725 5.065 4.340 0.000 0.000 0.272 250 L C -0.025 176.755 176.870 -0.150 0.000 0.980 250 L CA -0.039 54.606 54.840 -0.326 0.000 0.836 250 L CB 1.624 43.428 42.059 -0.425 0.000 1.238 250 L HN 0.910 nan 8.230 nan 0.000 0.408 251 R N 2.548 122.963 120.500 -0.142 0.000 2.807 251 R HA 0.949 5.289 4.340 0.000 0.000 0.276 251 R C -0.768 175.492 176.300 -0.066 0.000 0.979 251 R CA -1.079 54.984 56.100 -0.062 0.000 0.928 251 R CB 2.309 32.563 30.300 -0.077 0.000 1.191 251 R HN 0.458 nan 8.270 nan 0.000 0.471 252 R N 1.446 121.936 120.500 -0.017 0.000 2.585 252 R HA 0.150 4.490 4.340 0.000 0.000 0.288 252 R C -1.463 174.859 176.300 0.037 0.000 1.194 252 R CA -0.346 55.746 56.100 -0.013 0.000 1.006 252 R CB 1.383 31.652 30.300 -0.051 0.000 1.229 252 R HN 0.990 nan 8.270 nan 0.000 0.412 253 E N 3.767 124.002 120.200 0.059 0.000 2.359 253 E HA 0.467 4.817 4.350 0.000 0.000 0.266 253 E C -1.455 175.188 176.600 0.072 0.000 0.920 253 E CA -1.076 55.378 56.400 0.089 0.000 0.788 253 E CB 2.590 32.370 29.700 0.132 0.000 1.279 253 E HN 0.601 nan 8.360 nan 0.000 0.438 254 Q N 0.819 120.670 119.800 0.085 0.000 2.468 254 Q HA 0.513 4.853 4.340 0.000 0.000 0.263 254 Q C -1.385 174.678 176.000 0.105 0.000 0.979 254 Q CA -1.085 54.769 55.803 0.085 0.000 0.932 254 Q CB 1.558 30.343 28.738 0.079 0.000 1.462 254 Q HN 0.604 nan 8.270 nan 0.000 0.403 255 L N -1.021 120.271 121.223 0.115 0.000 3.041 255 L HA 0.875 5.215 4.340 0.000 0.000 0.278 255 L C -1.648 175.339 176.870 0.195 0.000 1.051 255 L CA -0.935 53.978 54.840 0.121 0.000 0.957 255 L CB 0.431 42.504 42.059 0.023 0.000 1.538 255 L HN 1.031 nan 8.230 nan 0.000 0.393 256 F N -1.390 118.561 119.950 0.001 0.000 2.779 256 F HA 0.929 5.456 4.527 0.000 0.000 0.316 256 F C -0.877 174.919 175.800 -0.007 0.000 1.164 256 F CA -0.735 57.262 58.000 -0.005 0.000 0.924 256 F CB 1.149 40.144 39.000 -0.008 0.000 1.348 256 F HN 0.867 nan 8.300 nan 0.000 0.467 257 A N 2.243 125.147 122.820 0.140 0.000 2.391 257 A HA 0.551 4.871 4.320 0.000 0.000 0.316 257 A C 0.947 178.529 177.584 -0.003 0.000 1.381 257 A CA -0.386 51.670 52.037 0.033 0.000 0.998 257 A CB 0.414 19.581 19.000 0.277 0.000 1.147 257 A HN 0.904 nan 8.150 nan 0.000 0.545 258 R N 1.933 122.226 120.500 -0.345 0.000 2.055 258 R HA 0.028 4.368 4.340 0.000 0.000 0.228 258 R C -0.083 175.916 176.300 -0.501 0.000 1.143 258 R CA 1.736 57.669 56.100 -0.278 0.000 0.945 258 R CB -0.215 29.928 30.300 -0.262 0.000 0.841 258 R HN 0.821 nan 8.270 nan 0.000 0.429 259 H N -2.174 116.625 119.070 -0.452 0.000 2.797 259 H HA 0.390 4.946 4.556 0.000 0.000 0.372 259 H C -1.189 173.812 175.328 -0.545 0.000 1.168 259 H CA -0.663 54.960 56.048 -0.707 0.000 1.163 259 H CB 1.526 30.733 29.762 -0.926 0.000 1.778 259 H HN 0.009 nan 8.280 nan 0.000 0.551 260 F N 1.782 121.444 119.950 -0.479 0.000 2.427 260 F HA 0.317 4.844 4.527 0.000 0.000 0.346 260 F C -0.639 175.100 175.800 -0.102 0.000 1.120 260 F CA -0.786 57.054 58.000 -0.267 0.000 1.033 260 F CB 1.310 40.246 39.000 -0.107 0.000 1.126 260 F HN 0.181 nan 8.300 nan 0.000 0.462 261 W N 1.506 123.037 121.300 0.384 0.000 3.031 261 W HA 0.315 4.975 4.660 0.000 0.000 0.337 261 W C -0.638 176.040 176.519 0.266 0.000 1.187 261 W CA -1.214 56.312 57.345 0.302 0.000 1.166 261 W CB 1.407 31.034 29.460 0.278 0.000 1.437 261 W HN 0.455 nan 8.180 nan 0.000 0.551 262 N N 0.673 119.629 118.700 0.427 0.000 2.413 262 N HA 0.432 5.172 4.740 0.000 0.000 0.266 262 N C -0.451 175.121 175.510 0.103 0.000 1.238 262 N CA -0.568 52.583 53.050 0.169 0.000 0.972 262 N CB 0.865 39.419 38.487 0.112 0.000 1.210 262 N HN -0.047 nan 8.380 nan 0.000 0.547 263 R N 0.871 121.362 120.500 -0.014 0.000 2.480 263 R HA 0.404 4.744 4.340 0.000 0.000 0.306 263 R C -0.860 175.404 176.300 -0.060 0.000 0.958 263 R CA -0.629 55.449 56.100 -0.036 0.000 0.861 263 R CB 1.486 31.755 30.300 -0.052 0.000 1.171 263 R HN 0.597 nan 8.270 nan 0.000 0.445 264 A N 1.319 124.102 122.820 -0.062 0.000 2.425 264 A HA 0.628 4.948 4.320 0.000 0.000 0.242 264 A C 0.601 178.146 177.584 -0.064 0.000 1.077 264 A CA 0.864 52.865 52.037 -0.060 0.000 0.781 264 A CB 0.247 19.212 19.000 -0.059 0.000 1.020 264 A HN 0.879 nan 8.150 nan 0.000 0.494 265 G N -0.462 108.304 108.800 -0.056 0.000 2.355 265 G HA2 0.467 4.427 3.960 0.000 0.000 0.619 265 G HA3 0.467 4.427 3.960 0.000 0.000 0.619 265 G C -0.313 174.557 174.900 -0.049 0.000 1.337 265 G CA -0.135 44.934 45.100 -0.053 0.000 0.993 265 G HN 1.943 nan 8.290 nan 0.000 0.599 266 T N -0.747 113.782 114.554 -0.043 0.000 2.909 266 T HA 0.643 4.993 4.350 0.000 0.000 0.289 266 T C 0.823 175.497 174.700 -0.042 0.000 1.005 266 T CA -0.737 61.340 62.100 -0.038 0.000 1.084 266 T CB 1.174 70.024 68.868 -0.029 0.000 0.975 266 T HN 0.608 nan 8.240 nan 0.000 0.509 267 M N 2.821 122.396 119.600 -0.042 0.000 2.200 267 M HA 0.248 4.728 4.480 0.000 0.000 0.355 267 M C 1.648 177.929 176.300 -0.032 0.000 1.283 267 M CA -0.376 54.898 55.300 -0.044 0.000 1.124 267 M CB 0.503 33.075 32.600 -0.046 0.000 1.625 267 M HN 1.068 nan 8.290 nan 0.000 0.463 268 G N 3.084 111.864 108.800 -0.033 0.000 2.434 268 G HA2 -0.075 3.885 3.960 0.000 0.000 0.214 268 G HA3 -0.075 3.885 3.960 0.000 0.000 0.214 268 G C 0.179 175.068 174.900 -0.019 0.000 1.202 268 G CA 0.280 45.365 45.100 -0.025 0.000 0.788 268 G HN 0.635 nan 8.290 nan 0.000 0.539 269 D N 1.028 121.416 120.400 -0.019 0.000 2.225 269 D HA 0.370 5.010 4.640 0.000 0.000 0.248 269 D C -0.247 176.050 176.300 -0.005 0.000 1.096 269 D CA 0.172 54.165 54.000 -0.011 0.000 0.863 269 D CB 1.438 42.231 40.800 -0.013 0.000 1.156 269 D HN -0.048 nan 8.370 nan 0.000 0.450 270 T N 1.083 115.641 114.554 0.007 0.000 2.817 270 T HA 0.215 4.565 4.350 0.000 0.000 0.293 270 T C 0.627 175.351 174.700 0.040 0.000 0.964 270 T CA -0.701 61.411 62.100 0.020 0.000 1.085 270 T CB 1.035 69.918 68.868 0.026 0.000 0.921 270 T HN 0.028 nan 8.240 nan 0.000 0.502 271 V N 6.332 126.278 119.914 0.053 0.000 2.485 271 V HA 0.105 4.225 4.120 0.000 0.000 0.287 271 V C -1.770 174.424 176.094 0.167 0.000 1.022 271 V CA -1.492 60.863 62.300 0.091 0.000 1.067 271 V CB -0.551 31.313 31.823 0.067 0.000 0.967 271 V HN 0.743 nan 8.190 nan 0.000 0.479 272 P HA -0.016 nan 4.420 nan 0.000 0.263 272 P C 0.799 178.162 177.300 0.105 0.000 1.175 272 P CA 0.173 63.329 63.100 0.093 0.000 0.761 272 P CB 0.426 32.164 31.700 0.064 0.000 0.794 273 Q N 1.444 121.235 119.800 -0.016 0.000 2.224 273 Q HA -0.096 4.244 4.340 0.000 0.000 0.203 273 Q C 1.605 177.444 176.000 -0.269 0.000 0.970 273 Q CA 1.652 57.319 55.803 -0.227 0.000 0.865 273 Q CB -0.366 28.272 28.738 -0.168 0.000 0.922 273 Q HN 0.595 nan 8.270 nan 0.000 0.445 274 S N -0.575 115.064 115.700 -0.102 0.000 2.603 274 S HA 0.032 4.502 4.470 0.000 0.000 0.229 274 S C 1.473 176.056 174.600 -0.028 0.000 0.972 274 S CA 0.290 58.448 58.200 -0.070 0.000 0.935 274 S CB -0.155 63.026 63.200 -0.031 0.000 0.769 274 S HN 0.280 nan 8.310 nan 0.000 0.536 275 L N 0.228 121.464 121.223 0.021 0.000 2.808 275 L HA 0.437 4.777 4.340 0.000 0.000 0.246 275 L C 0.036 177.059 176.870 0.255 0.000 1.153 275 L CA -0.475 54.445 54.840 0.133 0.000 0.956 275 L CB -0.034 42.129 42.059 0.173 0.000 1.270 275 L HN 0.604 nan 8.230 nan 0.000 0.528 276 Y N -2.744 117.563 120.300 0.012 0.000 2.871 276 Y HA 0.617 5.167 4.550 0.000 0.000 0.331 276 Y C -1.318 174.589 175.900 0.012 0.000 1.378 276 Y CA -1.585 56.523 58.100 0.014 0.000 1.079 276 Y CB 1.017 39.488 38.460 0.019 0.000 1.441 276 Y HN -0.274 nan 8.280 nan 0.000 0.446 277 I N 2.505 123.151 120.570 0.126 0.000 2.436 277 I HA 0.356 4.526 4.170 0.000 0.000 0.289 277 I C -0.728 175.482 176.117 0.155 0.000 1.010 277 I CA -1.151 60.164 61.300 0.025 0.000 1.098 277 I CB 2.045 40.073 38.000 0.048 0.000 1.266 277 I HN 0.571 nan 8.210 nan 0.000 0.434 278 K N 3.522 123.958 120.400 0.060 0.000 2.380 278 K HA 0.329 4.649 4.320 0.000 0.000 0.267 278 K C 0.466 177.130 176.600 0.106 0.000 0.990 278 K CA -0.097 56.276 56.287 0.144 0.000 0.946 278 K CB 0.878 33.424 32.500 0.077 0.000 0.937 278 K HN 0.840 nan 8.250 nan 0.000 0.491 279 G N 0.272 109.137 108.800 0.108 0.000 3.119 279 G HA2 0.481 4.441 3.960 0.000 0.000 0.206 279 G HA3 0.481 4.441 3.960 0.000 0.000 0.206 279 G C -0.805 174.127 174.900 0.054 0.000 1.313 279 G CA -0.476 44.666 45.100 0.069 0.000 1.010 279 G HN 0.597 nan 8.290 nan 0.000 0.578 280 T N -3.543 111.036 114.554 0.041 0.000 2.908 280 T HA 0.701 5.051 4.350 0.000 0.000 0.290 280 T C 0.719 175.436 174.700 0.029 0.000 1.034 280 T CA 0.632 62.752 62.100 0.032 0.000 1.010 280 T CB 1.401 70.284 68.868 0.025 0.000 1.068 280 T HN 2.409 nan 8.240 nan 0.000 0.481 281 G N 2.525 111.340 108.800 0.025 0.000 2.512 281 G HA2 -0.303 3.657 3.960 0.000 0.000 0.254 281 G HA3 -0.303 3.657 3.960 0.000 0.000 0.254 281 G C 0.900 175.813 174.900 0.022 0.000 1.199 281 G CA 0.660 45.773 45.100 0.021 0.000 0.941 281 G HN 1.587 nan 8.290 nan 0.000 0.569 282 M N -0.530 119.081 119.600 0.019 0.000 2.460 282 M HA 0.250 4.730 4.480 0.000 0.000 0.263 282 M C 1.979 178.289 176.300 0.017 0.000 1.071 282 M CA 2.161 57.471 55.300 0.016 0.000 1.096 282 M CB -0.092 32.517 32.600 0.014 0.000 1.408 282 M HN 0.326 nan 8.290 nan 0.000 0.463 283 R N 0.597 121.111 120.500 0.024 0.000 2.391 283 R HA 0.312 4.652 4.340 0.000 0.000 0.249 283 R C 1.537 177.867 176.300 0.050 0.000 0.957 283 R CA 0.318 56.435 56.100 0.030 0.000 1.093 283 R CB 0.078 30.398 30.300 0.034 0.000 1.156 283 R HN 0.563 nan 8.270 nan 0.000 0.526 284 A N -0.318 122.532 122.820 0.049 0.000 2.081 284 A HA 0.070 4.390 4.320 0.000 0.000 0.214 284 A C 0.816 178.458 177.584 0.097 0.000 1.158 284 A CA 0.436 52.514 52.037 0.069 0.000 0.724 284 A CB 0.451 19.480 19.000 0.049 0.000 0.826 284 A HN 0.154 nan 8.150 nan 0.000 0.463 285 S N 0.815 116.552 115.700 0.061 0.000 2.538 285 S HA 0.573 5.043 4.470 0.000 0.000 0.288 285 S C -3.049 171.532 174.600 -0.032 0.000 1.108 285 S CA -1.581 56.650 58.200 0.052 0.000 0.971 285 S CB 1.378 64.603 63.200 0.041 0.000 1.041 285 S HN 0.176 nan 8.310 nan 0.000 0.483 286 P HA 0.231 nan 4.420 nan 0.000 0.268 286 P C 0.575 177.808 177.300 -0.110 0.000 1.205 286 P CA -0.104 62.870 63.100 -0.209 0.000 0.771 286 P CB 0.235 31.710 31.700 -0.375 0.000 0.858 287 G N 1.474 110.219 108.800 -0.091 0.000 2.489 287 G HA2 0.184 4.144 3.960 0.000 0.000 0.271 287 G HA3 0.184 4.144 3.960 0.000 0.000 0.271 287 G C -0.186 174.662 174.900 -0.086 0.000 1.427 287 G CA -0.454 44.610 45.100 -0.060 0.000 1.057 287 G HN 0.600 nan 8.290 nan 0.000 0.532 288 S N -2.239 113.406 115.700 -0.091 0.000 2.549 288 S HA 0.135 4.605 4.470 0.000 0.000 0.283 288 S C 0.449 174.879 174.600 -0.283 0.000 1.320 288 S CA -0.452 57.656 58.200 -0.153 0.000 1.058 288 S CB 0.259 63.377 63.200 -0.136 0.000 0.882 288 S HN 0.514 nan 8.310 nan 0.000 0.498 289 C N 4.892 123.986 119.300 -0.344 0.000 3.240 289 C HA 0.370 4.830 4.460 0.000 0.000 0.271 289 C C -0.394 174.293 174.990 -0.506 0.000 1.534 289 C CA -0.469 58.276 59.018 -0.455 0.000 1.796 289 C CB -0.706 26.942 27.740 -0.154 0.000 2.892 289 C HN 0.683 nan 8.230 nan 0.000 0.566 290 V N 2.004 121.615 119.914 -0.505 0.000 2.311 290 V HA 0.398 4.518 4.120 0.000 0.000 0.275 290 V C -0.779 175.100 176.094 -0.360 0.000 1.022 290 V CA -0.267 61.859 62.300 -0.291 0.000 0.830 290 V CB 0.105 31.838 31.823 -0.149 0.000 1.012 290 V HN 0.388 nan 8.190 nan 0.000 0.452 291 Y N 2.372 122.691 120.300 0.032 0.000 2.446 291 Y HA 0.712 5.262 4.550 0.000 0.000 0.338 291 Y C 0.552 176.491 175.900 0.066 0.000 1.055 291 Y CA -0.653 57.481 58.100 0.057 0.000 1.101 291 Y CB 2.320 40.779 38.460 -0.001 0.000 1.221 291 Y HN 0.629 nan 8.280 nan 0.000 0.460 292 S N 2.353 118.225 115.700 0.288 0.000 2.626 292 S HA 0.495 4.965 4.470 0.000 0.000 0.275 292 S C -3.389 171.373 174.600 0.270 0.000 1.175 292 S CA -1.433 56.908 58.200 0.234 0.000 0.982 292 S CB 2.095 65.453 63.200 0.263 0.000 1.093 292 S HN 0.357 nan 8.310 nan 0.000 0.472 293 P HA 0.363 nan 4.420 nan 0.000 0.281 293 P C -0.228 177.051 177.300 -0.034 0.000 1.249 293 P CA -0.408 62.717 63.100 0.041 0.000 0.810 293 P CB 1.225 32.926 31.700 0.003 0.000 1.008 294 S N 2.536 118.139 115.700 -0.162 0.000 2.523 294 S HA 0.400 4.870 4.470 0.000 0.000 0.275 294 S C -2.007 172.462 174.600 -0.218 0.000 1.281 294 S CA -1.112 57.024 58.200 -0.107 0.000 1.050 294 S CB 0.075 63.190 63.200 -0.142 0.000 0.937 294 S HN 0.345 nan 8.310 nan 0.000 0.492 295 P HA 0.481 nan 4.420 nan 0.000 0.282 295 P C -0.567 176.548 177.300 -0.309 0.000 1.287 295 P CA -0.641 62.280 63.100 -0.298 0.000 0.792 295 P CB 1.016 32.557 31.700 -0.264 0.000 1.163 296 S N -1.779 113.681 115.700 -0.399 0.000 2.658 296 S HA 0.500 4.970 4.470 0.000 0.000 0.312 296 S C -0.765 173.681 174.600 -0.258 0.000 1.006 296 S CA -0.598 57.369 58.200 -0.387 0.000 0.855 296 S CB -0.205 62.545 63.200 -0.750 0.000 1.053 296 S HN 0.695 nan 8.310 nan 0.000 0.455 297 G N 2.111 110.921 108.800 0.017 0.000 2.412 297 G HA2 0.562 4.522 3.960 0.000 0.000 0.318 297 G HA3 0.562 4.522 3.960 0.000 0.000 0.318 297 G C 0.601 175.635 174.900 0.224 0.000 1.146 297 G CA 0.081 45.263 45.100 0.138 0.000 0.882 297 G HN 0.774 nan 8.290 nan 0.000 0.501 298 S N 0.548 116.422 115.700 0.289 0.000 2.343 298 S HA 0.257 4.727 4.470 0.000 0.000 0.155 298 S C 1.026 175.720 174.600 0.157 0.000 1.261 298 S CA -0.331 58.044 58.200 0.292 0.000 2.081 298 S CB -0.389 62.917 63.200 0.177 0.000 0.460 298 S HN 0.397 nan 8.310 nan 0.000 0.370 299 I N 1.665 122.291 120.570 0.094 0.000 2.575 299 I HA 0.301 4.471 4.170 0.000 0.000 0.285 299 I C -0.259 175.896 176.117 0.063 0.000 1.085 299 I CA -0.293 61.045 61.300 0.063 0.000 1.403 299 I CB 1.490 39.510 38.000 0.034 0.000 1.409 299 I HN 0.205 nan 8.210 nan 0.000 0.557 300 V N 5.836 125.784 119.914 0.057 0.000 2.384 300 V HA 0.619 4.739 4.120 0.000 0.000 0.287 300 V C -0.315 175.801 176.094 0.036 0.000 1.020 300 V CA 0.131 62.463 62.300 0.053 0.000 0.850 300 V CB 1.615 33.474 31.823 0.060 0.000 0.987 300 V HN 0.874 nan 8.190 nan 0.000 0.436 301 T N 2.767 117.338 114.554 0.028 0.000 2.909 301 T HA 0.372 4.722 4.350 0.000 0.000 0.299 301 T C 0.965 175.673 174.700 0.013 0.000 1.073 301 T CA 0.110 62.221 62.100 0.018 0.000 0.999 301 T CB 1.838 70.714 68.868 0.012 0.000 1.098 301 T HN 1.299 nan 8.240 nan 0.000 0.477 302 S N 2.081 117.787 115.700 0.010 0.000 2.595 302 S HA -0.027 4.443 4.470 0.000 0.000 0.235 302 S C 0.999 175.599 174.600 -0.000 0.000 0.974 302 S CA 0.599 58.802 58.200 0.006 0.000 0.942 302 S CB -0.362 62.841 63.200 0.005 0.000 0.766 302 S HN 0.742 nan 8.310 nan 0.000 0.536 303 D N 2.467 122.867 120.400 -0.000 0.000 2.149 303 D HA -0.046 4.594 4.640 0.000 0.000 0.201 303 D C 1.535 177.830 176.300 -0.008 0.000 0.972 303 D CA 1.585 55.583 54.000 -0.003 0.000 0.835 303 D CB -0.232 40.566 40.800 -0.003 0.000 0.966 303 D HN 0.695 nan 8.370 nan 0.000 0.476 304 S N 0.039 115.734 115.700 -0.009 0.000 2.573 304 S HA 0.166 4.636 4.470 0.000 0.000 0.244 304 S C 0.440 175.017 174.600 -0.038 0.000 0.984 304 S CA -0.597 57.591 58.200 -0.019 0.000 1.001 304 S CB 0.472 63.666 63.200 -0.010 0.000 0.788 304 S HN -0.107 nan 8.310 nan 0.000 0.456 305 Q N 1.122 120.902 119.800 -0.034 0.000 2.297 305 Q HA 0.409 4.749 4.340 0.000 0.000 0.267 305 Q C 0.575 176.511 176.000 -0.107 0.000 1.006 305 Q CA -0.290 55.480 55.803 -0.054 0.000 0.896 305 Q CB 0.925 29.656 28.738 -0.011 0.000 1.186 305 Q HN 0.365 nan 8.270 nan 0.000 0.392 306 L N 4.059 125.117 121.223 -0.274 0.000 2.209 306 L HA 0.239 4.579 4.340 0.000 0.000 0.207 306 L C -0.039 176.648 176.870 -0.305 0.000 1.094 306 L CA 1.021 55.625 54.840 -0.394 0.000 0.790 306 L CB -0.062 41.569 42.059 -0.713 0.000 0.932 306 L HN 0.646 nan 8.230 nan 0.000 0.447 307 F N -0.718 119.333 119.950 0.168 0.000 2.294 307 F HA 0.225 4.752 4.527 0.000 0.000 0.319 307 F C 1.418 177.234 175.800 0.026 0.000 1.107 307 F CA -0.617 57.483 58.000 0.166 0.000 1.094 307 F CB -0.160 38.896 39.000 0.093 0.000 1.508 307 F HN -0.109 nan 8.300 nan 0.000 0.506 308 N N -0.353 118.470 118.700 0.204 0.000 2.741 308 N HA -0.214 4.526 4.740 0.000 0.000 0.250 308 N C -1.375 174.069 175.510 -0.110 0.000 1.115 308 N CA 0.535 53.590 53.050 0.008 0.000 0.724 308 N CB -0.729 37.768 38.487 0.017 0.000 1.090 308 N HN 0.383 nan 8.380 nan 0.000 0.558 309 K N -0.065 120.179 120.400 -0.259 0.000 2.468 309 K HA 0.414 4.734 4.320 0.000 0.000 0.252 309 K C -2.769 173.278 176.600 -0.921 0.000 0.932 309 K CA -1.624 54.373 56.287 -0.483 0.000 0.794 309 K CB 2.726 34.937 32.500 -0.481 0.000 1.241 309 K HN -0.156 nan 8.250 nan 0.000 0.428 310 P HA 0.184 nan 4.420 nan 0.000 0.284 310 P C -1.520 175.059 177.300 -1.202 0.000 1.253 310 P CA -0.294 62.215 63.100 -0.984 0.000 0.800 310 P CB 0.423 31.642 31.700 -0.802 0.000 0.961 311 Y N 0.577 120.477 120.300 -0.667 0.000 2.406 311 Y HA 0.482 5.032 4.550 0.000 0.000 0.340 311 Y C -0.546 174.954 175.900 -0.667 0.000 0.975 311 Y CA -0.813 56.975 58.100 -0.519 0.000 1.056 311 Y CB 1.116 39.578 38.460 0.003 0.000 1.210 311 Y HN 0.341 nan 8.280 nan 0.000 0.448 312 W N 4.468 125.863 121.300 0.159 0.000 2.478 312 W HA 0.729 5.389 4.660 0.000 0.000 0.318 312 W C -0.907 175.710 176.519 0.165 0.000 1.062 312 W CA -1.148 56.251 57.345 0.090 0.000 1.210 312 W CB 1.192 30.715 29.460 0.104 0.000 1.325 312 W HN 0.389 nan 8.180 nan 0.000 0.496 313 L N 2.863 124.245 121.223 0.265 0.000 2.262 313 L HA 0.454 4.794 4.340 0.000 0.000 0.288 313 L C 1.168 178.193 176.870 0.258 0.000 1.035 313 L CA -0.794 54.195 54.840 0.248 0.000 0.820 313 L CB 0.568 42.657 42.059 0.050 0.000 1.204 313 L HN 0.640 nan 8.230 nan 0.000 0.424 314 H N 2.155 121.327 119.070 0.169 0.000 2.370 314 H HA 0.252 4.808 4.556 0.000 0.000 0.304 314 H C -0.327 175.062 175.328 0.102 0.000 1.055 314 H CA 0.018 56.147 56.048 0.135 0.000 1.373 314 H CB 0.215 30.054 29.762 0.130 0.000 1.423 314 H HN 0.517 nan 8.280 nan 0.000 0.533 315 K N 0.900 120.940 120.400 -0.599 0.000 2.613 315 K HA 0.569 4.889 4.320 0.000 0.000 0.248 315 K C -0.760 175.724 176.600 -0.193 0.000 0.959 315 K CA -0.261 55.862 56.287 -0.273 0.000 0.855 315 K CB 2.786 35.180 32.500 -0.177 0.000 1.143 315 K HN 0.410 nan 8.250 nan 0.000 0.437 316 A N 1.990 124.773 122.820 -0.062 0.000 2.536 316 A HA -0.058 4.262 4.320 0.000 0.000 0.234 316 A C 1.280 178.897 177.584 0.055 0.000 1.076 316 A CA 0.310 52.372 52.037 0.042 0.000 0.769 316 A CB 0.265 19.306 19.000 0.068 0.000 1.020 316 A HN 0.901 nan 8.150 nan 0.000 0.508 317 Q N 1.401 121.264 119.800 0.105 0.000 2.046 317 Q HA 0.171 4.511 4.340 0.000 0.000 0.200 317 Q C 1.098 177.114 176.000 0.026 0.000 0.975 317 Q CA 1.573 57.413 55.803 0.061 0.000 0.836 317 Q CB -0.766 28.015 28.738 0.073 0.000 0.896 317 Q HN 0.815 nan 8.270 nan 0.000 0.428 318 G N -0.905 107.933 108.800 0.064 0.000 2.531 318 G HA2 0.195 4.155 3.960 0.000 0.000 0.253 318 G HA3 0.195 4.155 3.960 0.000 0.000 0.253 318 G C -0.166 174.747 174.900 0.021 0.000 1.439 318 G CA 0.012 45.103 45.100 -0.014 0.000 1.056 318 G HN 0.441 nan 8.290 nan 0.000 0.555 319 H N -0.892 118.298 119.070 0.200 0.000 2.403 319 H HA 0.054 4.610 4.556 0.000 0.000 0.298 319 H C 0.951 176.434 175.328 0.257 0.000 1.059 319 H CA 0.263 56.444 56.048 0.222 0.000 1.363 319 H CB 0.292 30.210 29.762 0.260 0.000 1.410 319 H HN 0.234 nan 8.280 nan 0.000 0.528 320 N N 1.662 120.629 118.700 0.445 0.000 2.442 320 N HA -0.096 4.644 4.740 0.000 0.000 0.265 320 N C -0.691 174.948 175.510 0.215 0.000 1.138 320 N CA 0.165 53.443 53.050 0.380 0.000 0.956 320 N CB 0.283 39.075 38.487 0.508 0.000 1.067 320 N HN 0.252 nan 8.380 nan 0.000 0.474 321 N N 2.946 121.673 118.700 0.044 0.000 3.271 321 N HA 0.143 4.883 4.740 0.000 0.000 0.303 321 N C 0.283 175.597 175.510 -0.327 0.000 1.415 321 N CA 0.167 53.164 53.050 -0.088 0.000 1.159 321 N CB -0.549 37.915 38.487 -0.039 0.000 1.432 321 N HN 0.801 nan 8.380 nan 0.000 0.521 322 G N 0.644 108.976 108.800 -0.780 0.000 2.249 322 G HA2 -0.251 3.709 3.960 0.000 0.000 0.273 322 G HA3 -0.251 3.709 3.960 0.000 0.000 0.273 322 G C 0.029 174.622 174.900 -0.512 0.000 1.036 322 G CA 0.262 44.496 45.100 -1.443 0.000 0.824 322 G HN 0.340 nan 8.290 nan 0.000 0.504 323 V N 0.497 120.215 119.914 -0.326 0.000 2.470 323 V HA 0.207 4.327 4.120 0.000 0.000 0.276 323 V C 1.208 177.096 176.094 -0.343 0.000 1.040 323 V CA -0.215 61.836 62.300 -0.415 0.000 1.008 323 V CB 1.068 32.442 31.823 -0.748 0.000 0.990 323 V HN 0.462 nan 8.190 nan 0.000 0.477 324 C N 6.000 125.201 119.300 -0.165 0.000 2.210 324 C HA 0.273 4.733 4.460 0.000 0.000 0.377 324 C C 0.372 175.391 174.990 0.048 0.000 1.037 324 C CA -1.380 57.653 59.018 0.024 0.000 1.405 324 C CB -1.810 25.991 27.740 0.101 0.000 1.802 324 C HN 0.848 nan 8.230 nan 0.000 0.495 325 W N 2.046 123.511 121.300 0.275 0.000 2.158 325 W HA 0.281 4.941 4.660 0.000 0.000 0.339 325 W C 1.179 177.920 176.519 0.370 0.000 1.294 325 W CA 0.280 57.801 57.345 0.293 0.000 1.231 325 W CB -0.048 29.601 29.460 0.315 0.000 1.143 325 W HN 0.801 nan 8.180 nan 0.000 0.571 326 H N 0.428 119.696 119.070 0.330 0.000 3.080 326 H HA -0.261 4.295 4.556 0.000 0.000 0.254 326 H C 0.408 175.807 175.328 0.117 0.000 1.179 326 H CA 1.053 57.208 56.048 0.177 0.000 1.144 326 H CB -2.053 27.801 29.762 0.153 0.000 1.261 326 H HN 0.558 nan 8.280 nan 0.000 0.333 327 N N -0.586 118.243 118.700 0.216 0.000 2.727 327 N HA -0.225 4.515 4.740 0.000 0.000 0.249 327 N C -0.139 175.376 175.510 0.007 0.000 1.048 327 N CA 1.421 54.526 53.050 0.091 0.000 0.714 327 N CB -0.789 37.721 38.487 0.039 0.000 0.959 327 N HN 0.742 nan 8.380 nan 0.000 0.544 328 Q N -0.295 119.535 119.800 0.049 0.000 2.416 328 Q HA 0.834 5.174 4.340 0.000 0.000 0.279 328 Q C -0.728 175.229 176.000 -0.072 0.000 1.101 328 Q CA -0.839 54.929 55.803 -0.058 0.000 0.830 328 Q CB 2.678 31.424 28.738 0.013 0.000 1.402 328 Q HN 0.352 nan 8.270 nan 0.000 0.445 329 L N 0.904 121.983 121.223 -0.240 0.000 2.666 329 L HA 0.457 4.797 4.340 0.000 0.000 0.259 329 L C -1.905 174.793 176.870 -0.285 0.000 0.919 329 L CA -0.530 54.256 54.840 -0.090 0.000 0.927 329 L CB 1.137 43.188 42.059 -0.014 0.000 1.423 329 L HN 0.538 nan 8.230 nan 0.000 0.426 330 F N 4.197 124.069 119.950 -0.130 0.000 2.404 330 F HA 0.612 5.139 4.527 0.000 0.000 0.339 330 F C 0.179 175.948 175.800 -0.053 0.000 1.105 330 F CA -0.568 57.327 58.000 -0.176 0.000 1.087 330 F CB 1.926 40.737 39.000 -0.315 0.000 1.143 330 F HN 0.075 nan 8.300 nan 0.000 0.491 331 V N 2.707 122.727 119.914 0.177 0.000 2.357 331 V HA 0.272 4.392 4.120 0.000 0.000 0.281 331 V C -0.506 175.707 176.094 0.199 0.000 1.015 331 V CA -0.668 61.770 62.300 0.230 0.000 0.827 331 V CB 1.424 33.431 31.823 0.307 0.000 1.018 331 V HN 0.799 nan 8.190 nan 0.000 0.432 332 T N 4.664 119.312 114.554 0.157 0.000 2.743 332 T HA 0.600 4.950 4.350 0.000 0.000 0.293 332 T C -0.216 174.596 174.700 0.187 0.000 0.945 332 T CA -0.287 61.896 62.100 0.138 0.000 1.030 332 T CB 1.451 70.382 68.868 0.104 0.000 0.912 332 T HN 0.293 nan 8.240 nan 0.000 0.483 333 V N 4.104 124.115 119.914 0.161 0.000 2.638 333 V HA 0.568 4.688 4.120 0.000 0.000 0.306 333 V C -0.528 175.657 176.094 0.152 0.000 1.052 333 V CA -0.736 61.667 62.300 0.171 0.000 0.885 333 V CB 2.244 34.138 31.823 0.119 0.000 0.999 333 V HN 0.689 nan 8.190 nan 0.000 0.424 334 V N 3.420 123.445 119.914 0.185 0.000 2.577 334 V HA 0.626 4.746 4.120 0.000 0.000 0.303 334 V C -1.255 174.981 176.094 0.236 0.000 1.042 334 V CA -0.399 61.956 62.300 0.092 0.000 0.872 334 V CB 2.095 33.886 31.823 -0.052 0.000 0.998 334 V HN 1.011 nan 8.190 nan 0.000 0.423 335 D N 2.287 122.803 120.400 0.193 0.000 2.375 335 D HA 0.268 4.908 4.640 0.000 0.000 0.241 335 D C 0.643 176.993 176.300 0.082 0.000 1.361 335 D CA 0.132 54.290 54.000 0.264 0.000 0.995 335 D CB 1.873 42.879 40.800 0.345 0.000 1.312 335 D HN 0.579 nan 8.370 nan 0.000 0.576 336 T N -0.566 113.997 114.554 0.014 0.000 3.107 336 T HA 0.002 4.352 4.350 0.000 0.000 0.249 336 T C 1.556 176.232 174.700 -0.040 0.000 1.096 336 T CA 0.741 62.746 62.100 -0.158 0.000 1.012 336 T CB -0.184 68.559 68.868 -0.209 0.000 0.977 336 T HN 0.333 nan 8.240 nan 0.000 0.527 337 T N -0.157 114.424 114.554 0.045 0.000 3.160 337 T HA 0.168 4.518 4.350 0.000 0.000 0.257 337 T C 0.934 175.664 174.700 0.050 0.000 1.147 337 T CA -0.143 61.992 62.100 0.058 0.000 1.064 337 T CB -0.352 68.561 68.868 0.074 0.000 0.949 337 T HN 0.420 nan 8.240 nan 0.000 0.526 338 R N 1.264 121.789 120.500 0.043 0.000 2.644 338 R HA 0.302 4.642 4.340 0.000 0.000 0.271 338 R C 0.348 176.719 176.300 0.119 0.000 1.687 338 R CA -0.020 56.116 56.100 0.061 0.000 1.655 338 R CB 0.898 31.220 30.300 0.036 0.000 1.285 338 R HN 0.393 nan 8.270 nan 0.000 0.643 339 S N -1.602 114.138 115.700 0.066 0.000 2.601 339 S HA 0.004 4.474 4.470 0.000 0.000 0.244 339 S C 0.644 175.273 174.600 0.049 0.000 1.001 339 S CA -0.597 57.613 58.200 0.016 0.000 0.984 339 S CB 0.166 63.286 63.200 -0.135 0.000 0.842 339 S HN 0.318 nan 8.310 nan 0.000 0.474 340 T N 1.865 116.486 114.554 0.111 0.000 2.871 340 T HA 0.168 4.518 4.350 0.000 0.000 0.296 340 T C -0.227 174.561 174.700 0.146 0.000 0.998 340 T CA -0.198 61.960 62.100 0.097 0.000 1.162 340 T CB -0.282 68.633 68.868 0.078 0.000 0.947 340 T HN 0.456 nan 8.240 nan 0.000 0.536 341 N N 2.327 121.078 118.700 0.086 0.000 2.419 341 N HA 0.430 5.170 4.740 0.000 0.000 0.277 341 N C -0.351 175.192 175.510 0.054 0.000 1.006 341 N CA -0.807 52.295 53.050 0.086 0.000 0.923 341 N CB 1.111 39.598 38.487 -0.000 0.000 1.140 341 N HN 0.507 nan 8.380 nan 0.000 0.488 342 L N 1.410 122.665 121.223 0.053 0.000 2.417 342 L HA 0.309 4.649 4.340 0.000 0.000 0.268 342 L C 0.461 177.344 176.870 0.023 0.000 1.158 342 L CA -0.113 54.747 54.840 0.032 0.000 0.819 342 L CB 0.723 42.796 42.059 0.024 0.000 1.112 342 L HN 0.429 nan 8.230 nan 0.000 0.458 343 T N 3.481 118.052 114.554 0.028 0.000 2.779 343 T HA 0.625 4.975 4.350 0.000 0.000 0.280 343 T C -0.253 174.480 174.700 0.055 0.000 0.987 343 T CA -0.245 61.879 62.100 0.039 0.000 0.966 343 T CB 0.913 69.801 68.868 0.033 0.000 0.933 343 T HN 0.265 nan 8.240 nan 0.000 0.442 344 I N 3.357 123.982 120.570 0.090 0.000 2.465 344 I HA 0.548 4.718 4.170 0.000 0.000 0.291 344 I C -0.139 176.091 176.117 0.187 0.000 1.014 344 I CA -0.816 60.541 61.300 0.095 0.000 1.093 344 I CB 1.537 39.557 38.000 0.034 0.000 1.267 344 I HN 0.754 nan 8.210 nan 0.000 0.431 345 C N 3.913 123.318 119.300 0.175 0.000 2.535 345 C HA 0.969 5.429 4.460 0.000 0.000 0.319 345 C C -0.164 174.980 174.990 0.257 0.000 1.171 345 C CA -0.545 58.631 59.018 0.264 0.000 1.394 345 C CB 0.485 28.363 27.740 0.230 0.000 1.990 345 C HN 0.875 nan 8.230 nan 0.000 0.466 346 A N 2.935 125.926 122.820 0.284 0.000 2.356 346 A HA 0.954 5.274 4.320 0.000 0.000 0.323 346 A C 0.140 177.809 177.584 0.143 0.000 1.119 346 A CA -0.043 52.102 52.037 0.180 0.000 0.790 346 A CB 1.259 20.322 19.000 0.105 0.000 1.273 346 A HN 1.887 nan 8.150 nan 0.000 0.452 347 S N 0.168 115.850 115.700 -0.031 0.000 2.672 347 S HA 0.456 4.926 4.470 0.000 0.000 0.276 347 S C 0.679 175.161 174.600 -0.196 0.000 1.207 347 S CA 0.279 58.279 58.200 -0.333 0.000 1.002 347 S CB 1.098 63.886 63.200 -0.686 0.000 0.998 347 S HN 0.598 nan 8.310 nan 0.000 0.542 348 T N 0.817 115.227 114.554 -0.239 0.000 2.937 348 T HA 0.067 4.417 4.350 0.000 0.000 0.260 348 T C 0.492 175.118 174.700 -0.125 0.000 1.051 348 T CA 0.808 62.831 62.100 -0.129 0.000 1.141 348 T CB -0.170 68.626 68.868 -0.119 0.000 0.879 348 T HN 0.538 nan 8.240 nan 0.000 0.459 349 Q N 1.185 120.881 119.800 -0.174 0.000 2.340 349 Q HA 0.302 4.642 4.340 0.000 0.000 0.249 349 Q C 1.353 177.292 176.000 -0.101 0.000 0.957 349 Q CA -0.054 55.675 55.803 -0.123 0.000 0.882 349 Q CB 1.255 29.915 28.738 -0.130 0.000 1.235 349 Q HN 0.135 nan 8.270 nan 0.000 0.439 350 S N 2.216 117.878 115.700 -0.063 0.000 2.356 350 S HA -0.078 4.392 4.470 0.000 0.000 0.223 350 S C -0.759 173.819 174.600 -0.037 0.000 1.032 350 S CA 1.161 59.335 58.200 -0.044 0.000 1.005 350 S CB -0.603 62.580 63.200 -0.028 0.000 0.867 350 S HN 0.515 nan 8.310 nan 0.000 0.449 351 P HA 0.241 nan 4.420 nan 0.000 0.227 351 P C -0.316 176.974 177.300 -0.017 0.000 1.161 351 P CA 0.360 63.448 63.100 -0.019 0.000 0.788 351 P CB 0.065 31.757 31.700 -0.014 0.000 0.822 352 V N -0.813 119.073 119.914 -0.046 0.000 5.979 352 V HA -0.112 4.008 4.120 0.000 0.000 0.296 352 V C -2.099 174.002 176.094 0.011 0.000 0.582 352 V CA -0.836 61.436 62.300 -0.045 0.000 0.932 352 V CB -2.402 29.426 31.823 0.009 0.000 1.005 352 V HN 0.260 nan 8.190 nan 0.000 0.511 353 P HA 0.135 nan 4.420 nan 0.000 0.267 353 P C 1.258 178.606 177.300 0.080 0.000 1.201 353 P CA 0.831 63.950 63.100 0.032 0.000 0.775 353 P CB 0.808 32.517 31.700 0.015 0.000 0.854 354 G N 0.499 109.340 108.800 0.069 0.000 2.848 354 G HA2 -0.088 3.872 3.960 0.000 0.000 0.208 354 G HA3 -0.088 3.872 3.960 0.000 0.000 0.208 354 G C 0.618 175.579 174.900 0.102 0.000 1.152 354 G CA 0.288 45.437 45.100 0.081 0.000 0.789 354 G HN 0.521 nan 8.290 nan 0.000 0.531 355 Q N -0.264 119.600 119.800 0.107 0.000 2.307 355 Q HA 0.478 4.818 4.340 0.000 0.000 0.262 355 Q C -1.380 174.730 176.000 0.184 0.000 0.961 355 Q CA -1.029 54.847 55.803 0.123 0.000 0.882 355 Q CB 1.175 29.957 28.738 0.075 0.000 1.264 355 Q HN 0.291 nan 8.270 nan 0.000 0.446 356 Y N 3.113 123.471 120.300 0.097 0.000 2.359 356 Y HA 0.427 4.977 4.550 0.000 0.000 0.334 356 Y C -1.057 174.922 175.900 0.131 0.000 1.058 356 Y CA -0.186 57.993 58.100 0.133 0.000 1.244 356 Y CB 0.979 39.468 38.460 0.048 0.000 1.187 356 Y HN 0.589 nan 8.280 nan 0.000 0.510 357 D N 5.019 125.123 120.400 -0.493 0.000 2.478 357 D HA 0.353 4.993 4.640 0.000 0.000 0.240 357 D C 0.442 176.491 176.300 -0.418 0.000 1.364 357 D CA 0.211 53.959 54.000 -0.420 0.000 0.987 357 D CB 1.399 42.129 40.800 -0.117 0.000 1.328 357 D HN 0.782 nan 8.370 nan 0.000 0.584 358 A N 2.734 125.215 122.820 -0.564 0.000 1.882 358 A HA -0.293 4.027 4.320 0.000 0.000 0.220 358 A C 2.048 179.631 177.584 -0.000 0.000 1.253 358 A CA 3.170 55.049 52.037 -0.262 0.000 0.664 358 A CB -1.486 17.451 19.000 -0.106 0.000 0.838 358 A HN 0.733 nan 8.150 nan 0.000 0.460 359 T N -2.561 111.982 114.554 -0.019 0.000 2.897 359 T HA -0.144 4.206 4.350 0.000 0.000 0.271 359 T C 1.507 176.224 174.700 0.029 0.000 1.084 359 T CA 1.769 63.875 62.100 0.011 0.000 1.123 359 T CB -0.274 68.586 68.868 -0.014 0.000 0.865 359 T HN 0.513 nan 8.240 nan 0.000 0.496 360 K N -0.213 120.211 120.400 0.040 0.000 2.505 360 K HA 0.210 4.530 4.320 0.000 0.000 0.192 360 K C -0.887 175.568 176.600 -0.241 0.000 1.025 360 K CA -0.063 56.166 56.287 -0.097 0.000 1.086 360 K CB 0.061 32.458 32.500 -0.173 0.000 0.840 360 K HN 0.382 nan 8.250 nan 0.000 0.514 361 F N 0.403 120.336 119.950 -0.029 0.000 2.565 361 F HA 0.381 4.908 4.527 0.000 0.000 0.313 361 F C -0.238 175.576 175.800 0.023 0.000 1.091 361 F CA -0.983 57.030 58.000 0.022 0.000 0.915 361 F CB 1.617 40.643 39.000 0.044 0.000 1.208 361 F HN -0.429 nan 8.300 nan 0.000 0.453 362 K N 2.159 122.702 120.400 0.237 0.000 2.265 362 K HA 0.396 4.716 4.320 0.000 0.000 0.267 362 K C -0.972 175.705 176.600 0.128 0.000 0.994 362 K CA -0.897 55.456 56.287 0.110 0.000 0.860 362 K CB 1.990 34.569 32.500 0.131 0.000 1.099 362 K HN 0.531 nan 8.250 nan 0.000 0.448 363 Q N 2.464 122.228 119.800 -0.060 0.000 2.290 363 Q HA 0.302 4.642 4.340 0.000 0.000 0.259 363 Q C -1.611 174.287 176.000 -0.170 0.000 0.941 363 Q CA -0.257 55.553 55.803 0.011 0.000 0.912 363 Q CB 0.729 29.471 28.738 0.006 0.000 1.244 363 Q HN 0.348 nan 8.270 nan 0.000 0.441 364 Y N 0.136 120.447 120.300 0.018 0.000 2.562 364 Y HA 0.636 5.186 4.550 0.000 0.000 0.343 364 Y C -0.135 175.734 175.900 -0.052 0.000 1.025 364 Y CA -1.115 56.977 58.100 -0.013 0.000 1.082 364 Y CB 2.389 40.843 38.460 -0.009 0.000 1.264 364 Y HN 0.443 nan 8.280 nan 0.000 0.478 365 S N 2.424 118.152 115.700 0.047 0.000 2.552 365 S HA 0.686 5.156 4.470 0.000 0.000 0.314 365 S C -1.092 173.444 174.600 -0.106 0.000 1.099 365 S CA -0.740 57.407 58.200 -0.088 0.000 1.070 365 S CB 0.148 63.167 63.200 -0.302 0.000 0.998 365 S HN 0.507 nan 8.310 nan 0.000 0.474 366 R N 3.041 123.509 120.500 -0.052 0.000 2.628 366 R HA 0.374 4.714 4.340 0.000 0.000 0.288 366 R C -0.918 175.402 176.300 0.034 0.000 0.980 366 R CA -0.640 55.443 56.100 -0.030 0.000 0.891 366 R CB 1.402 31.691 30.300 -0.017 0.000 1.188 366 R HN 0.808 nan 8.270 nan 0.000 0.450 367 H N 1.119 120.149 119.070 -0.066 0.000 2.573 367 H HA 0.638 5.194 4.556 0.000 0.000 0.351 367 H C -0.996 174.336 175.328 0.007 0.000 1.163 367 H CA -0.831 55.201 56.048 -0.027 0.000 1.205 367 H CB 2.010 31.762 29.762 -0.017 0.000 1.605 367 H HN 0.178 nan 8.280 nan 0.000 0.525 368 V N 2.547 122.005 119.914 -0.759 0.000 3.074 368 V HA 0.276 4.396 4.120 0.000 0.000 0.314 368 V C -0.892 174.882 176.094 -0.533 0.000 1.117 368 V CA -0.662 61.378 62.300 -0.434 0.000 1.014 368 V CB 2.207 33.899 31.823 -0.218 0.000 1.057 368 V HN 0.792 nan 8.190 nan 0.000 0.438 369 E N 1.555 121.659 120.200 -0.160 0.000 2.321 369 E HA 0.450 4.800 4.350 0.000 0.000 0.281 369 E C -1.377 175.288 176.600 0.109 0.000 0.910 369 E CA -0.406 55.993 56.400 -0.001 0.000 0.770 369 E CB 1.831 31.661 29.700 0.217 0.000 1.225 369 E HN 0.715 nan 8.360 nan 0.000 0.417 370 E N 4.195 124.380 120.200 -0.026 0.000 2.255 370 E HA 0.339 4.689 4.350 0.000 0.000 0.256 370 E C -1.310 175.163 176.600 -0.211 0.000 0.887 370 E CA -0.485 55.909 56.400 -0.010 0.000 0.782 370 E CB 0.700 30.371 29.700 -0.048 0.000 1.214 370 E HN 0.426 nan 8.360 nan 0.000 0.417 371 Y N 1.596 121.840 120.300 -0.093 0.000 2.675 371 Y HA 0.500 5.050 4.550 0.000 0.000 0.328 371 Y C -0.133 175.616 175.900 -0.251 0.000 1.092 371 Y CA -0.683 57.284 58.100 -0.222 0.000 1.190 371 Y CB 1.673 39.907 38.460 -0.378 0.000 1.350 371 Y HN 0.441 nan 8.280 nan 0.000 0.525 372 D N 1.036 121.357 120.400 -0.131 0.000 2.484 372 D HA 0.195 4.835 4.640 0.000 0.000 0.206 372 D C -2.041 174.098 176.300 -0.267 0.000 1.322 372 D CA -0.187 53.709 54.000 -0.173 0.000 0.913 372 D CB 0.742 41.469 40.800 -0.121 0.000 1.559 372 D HN 0.530 nan 8.370 nan 0.000 0.565 373 L N 2.307 123.332 121.223 -0.330 0.000 2.307 373 L HA 0.548 4.888 4.340 0.000 0.000 0.282 373 L C 0.321 176.905 176.870 -0.477 0.000 1.051 373 L CA -0.632 53.933 54.840 -0.457 0.000 0.804 373 L CB 1.704 43.544 42.059 -0.365 0.000 1.197 373 L HN 0.294 nan 8.230 nan 0.000 0.431 374 Q N 2.466 121.769 119.800 -0.829 0.000 2.389 374 Q HA 0.704 5.044 4.340 0.000 0.000 0.277 374 Q C -1.697 173.612 176.000 -1.152 0.000 1.082 374 Q CA -0.583 54.801 55.803 -0.700 0.000 0.810 374 Q CB 3.105 31.580 28.738 -0.438 0.000 1.374 374 Q HN 0.391 nan 8.270 nan 0.000 0.422 375 F N 0.552 120.092 119.950 -0.683 0.000 2.685 375 F HA 0.575 5.102 4.527 0.000 0.000 0.315 375 F C -0.791 174.454 175.800 -0.925 0.000 1.126 375 F CA -0.956 56.553 58.000 -0.818 0.000 0.950 375 F CB 1.330 39.673 39.000 -1.094 0.000 1.360 375 F HN 0.252 nan 8.300 nan 0.000 0.469 376 I N 2.182 122.335 120.570 -0.695 0.000 2.468 376 I HA 0.347 4.517 4.170 0.000 0.000 0.285 376 I C -1.253 174.484 176.117 -0.634 0.000 1.039 376 I CA -0.703 60.234 61.300 -0.606 0.000 1.074 376 I CB 1.368 39.012 38.000 -0.593 0.000 1.228 376 I HN 0.413 nan 8.210 nan 0.000 0.436 377 F N 3.975 123.754 119.950 -0.285 0.000 2.458 377 F HA 0.484 5.011 4.527 0.000 0.000 0.330 377 F C 0.590 176.438 175.800 0.081 0.000 1.082 377 F CA -0.670 57.212 58.000 -0.197 0.000 0.995 377 F CB 1.641 40.286 39.000 -0.591 0.000 1.170 377 F HN 0.366 nan 8.300 nan 0.000 0.478 378 Q N 3.009 123.040 119.800 0.386 0.000 2.333 378 Q HA 0.420 4.760 4.340 0.000 0.000 0.265 378 Q C -1.247 174.966 176.000 0.355 0.000 0.989 378 Q CA -1.168 54.765 55.803 0.215 0.000 0.842 378 Q CB 1.712 30.477 28.738 0.044 0.000 1.262 378 Q HN 0.718 nan 8.270 nan 0.000 0.451 379 L N 4.064 125.500 121.223 0.354 0.000 2.499 379 L HA 0.156 4.496 4.340 0.000 0.000 0.273 379 L C -1.266 175.552 176.870 -0.086 0.000 1.195 379 L CA 0.656 55.545 54.840 0.081 0.000 0.882 379 L CB 0.321 42.403 42.059 0.038 0.000 1.133 379 L HN 0.809 nan 8.230 nan 0.000 0.483 380 C N 2.295 121.485 119.300 -0.182 0.000 2.889 380 C HA 0.803 5.263 4.460 0.000 0.000 0.307 380 C C 0.057 174.917 174.990 -0.217 0.000 1.251 380 C CA -0.573 58.350 59.018 -0.160 0.000 1.593 380 C CB 1.940 29.610 27.740 -0.117 0.000 2.104 380 C HN 0.886 nan 8.230 nan 0.000 0.476 381 T N -0.457 114.011 114.554 -0.144 0.000 2.856 381 T HA 0.812 5.162 4.350 0.000 0.000 0.283 381 T C -0.978 173.694 174.700 -0.046 0.000 1.008 381 T CA -0.446 61.579 62.100 -0.126 0.000 0.997 381 T CB 0.841 69.673 68.868 -0.060 0.000 0.992 381 T HN 0.528 nan 8.240 nan 0.000 0.454 382 I N 2.628 123.175 120.570 -0.039 0.000 2.439 382 I HA 0.239 4.409 4.170 0.000 0.000 0.283 382 I C -0.043 176.101 176.117 0.045 0.000 1.023 382 I CA -0.861 60.479 61.300 0.068 0.000 1.100 382 I CB 1.961 40.051 38.000 0.151 0.000 1.238 382 I HN 0.687 nan 8.210 nan 0.000 0.445 383 T N 7.174 121.775 114.554 0.078 0.000 2.738 383 T HA 0.294 4.644 4.350 0.000 0.000 0.293 383 T C 0.387 175.138 174.700 0.085 0.000 0.913 383 T CA -0.289 61.849 62.100 0.062 0.000 1.103 383 T CB -0.002 68.900 68.868 0.057 0.000 0.880 383 T HN 0.301 nan 8.240 nan 0.000 0.526 384 L N 5.276 126.540 121.223 0.069 0.000 2.565 384 L HA 0.242 4.582 4.340 0.000 0.000 0.275 384 L C 1.320 178.230 176.870 0.067 0.000 1.137 384 L CA -0.279 54.616 54.840 0.092 0.000 0.915 384 L CB -0.533 41.583 42.059 0.094 0.000 1.232 384 L HN 0.754 nan 8.230 nan 0.000 0.473 385 T N -0.614 113.980 114.554 0.068 0.000 2.883 385 T HA 0.639 4.989 4.350 0.000 0.000 0.284 385 T C 1.064 175.789 174.700 0.042 0.000 1.041 385 T CA -0.164 61.964 62.100 0.046 0.000 1.007 385 T CB 1.793 70.685 68.868 0.039 0.000 1.220 385 T HN 0.392 nan 8.240 nan 0.000 0.552 386 A N 1.686 124.524 122.820 0.030 0.000 1.859 386 A HA -0.245 4.075 4.320 0.000 0.000 0.218 386 A C 1.843 179.443 177.584 0.027 0.000 1.242 386 A CA 2.823 54.875 52.037 0.025 0.000 0.661 386 A CB -1.793 17.218 19.000 0.017 0.000 0.842 386 A HN 1.038 nan 8.150 nan 0.000 0.455 387 D N -0.683 119.730 120.400 0.022 0.000 2.219 387 D HA -0.057 4.583 4.640 0.000 0.000 0.205 387 D C 1.513 177.829 176.300 0.027 0.000 0.970 387 D CA 1.174 55.187 54.000 0.021 0.000 0.851 387 D CB -0.794 40.010 40.800 0.007 0.000 0.943 387 D HN 0.216 nan 8.370 nan 0.000 0.488 388 V N 0.291 120.219 119.914 0.023 0.000 2.358 388 V HA -0.214 3.906 4.120 0.000 0.000 0.246 388 V C 2.551 178.683 176.094 0.063 0.000 1.047 388 V CA 1.665 63.978 62.300 0.022 0.000 1.035 388 V CB -0.478 31.385 31.823 0.067 0.000 0.658 388 V HN 0.195 nan 8.190 nan 0.000 0.452 389 M N 0.465 120.105 119.600 0.067 0.000 2.200 389 M HA -0.128 4.352 4.480 0.000 0.000 0.265 389 M C 2.392 178.700 176.300 0.012 0.000 1.066 389 M CA 1.882 57.215 55.300 0.055 0.000 1.127 389 M CB -0.322 32.311 32.600 0.055 0.000 1.379 389 M HN 0.567 nan 8.290 nan 0.000 0.420 390 S N -0.640 115.072 115.700 0.020 0.000 2.419 390 S HA -0.193 4.277 4.470 0.000 0.000 0.233 390 S C 1.745 176.337 174.600 -0.013 0.000 1.016 390 S CA 0.866 59.066 58.200 -0.000 0.000 0.974 390 S CB -0.759 62.450 63.200 0.015 0.000 0.786 390 S HN 0.611 nan 8.310 nan 0.000 0.492 391 Y N 2.065 122.299 120.300 -0.111 0.000 2.176 391 Y HA 0.245 4.795 4.550 0.000 0.000 0.291 391 Y C 1.954 177.746 175.900 -0.180 0.000 1.122 391 Y CA 0.997 59.009 58.100 -0.147 0.000 1.128 391 Y CB -0.344 37.979 38.460 -0.228 0.000 1.005 391 Y HN 0.180 nan 8.280 nan 0.000 0.509 392 I N 0.722 121.212 120.570 -0.133 0.000 2.567 392 I HA -0.272 3.898 4.170 0.000 0.000 0.257 392 I C 2.200 178.125 176.117 -0.319 0.000 1.184 392 I CA 1.522 62.665 61.300 -0.262 0.000 1.451 392 I CB -0.302 37.610 38.000 -0.146 0.000 1.089 392 I HN 0.367 nan 8.210 nan 0.000 0.441 393 Q N 0.854 120.518 119.800 -0.226 0.000 2.062 393 Q HA -0.104 4.236 4.340 0.000 0.000 0.196 393 Q C 2.216 178.085 176.000 -0.217 0.000 0.967 393 Q CA 1.977 57.664 55.803 -0.194 0.000 0.832 393 Q CB -0.043 28.627 28.738 -0.114 0.000 0.899 393 Q HN 0.335 nan 8.270 nan 0.000 0.442 394 S N 0.322 115.885 115.700 -0.228 0.000 2.383 394 S HA -0.121 4.349 4.470 0.000 0.000 0.227 394 S C 1.796 176.237 174.600 -0.265 0.000 1.026 394 S CA 1.260 59.342 58.200 -0.196 0.000 0.981 394 S CB -0.364 62.744 63.200 -0.154 0.000 0.818 394 S HN 0.522 nan 8.310 nan 0.000 0.472 395 M N 1.254 120.577 119.600 -0.461 0.000 2.059 395 M HA -0.063 4.417 4.480 0.000 0.000 0.259 395 M C 0.381 176.319 176.300 -0.602 0.000 1.072 395 M CA 1.582 56.458 55.300 -0.706 0.000 1.117 395 M CB 0.049 32.098 32.600 -0.918 0.000 1.320 395 M HN 0.268 nan 8.290 nan 0.000 0.408 396 N N -0.279 118.129 118.700 -0.487 0.000 2.932 396 N HA 0.049 4.789 4.740 0.000 0.000 0.242 396 N C 0.395 175.711 175.510 -0.324 0.000 1.351 396 N CA 0.296 53.123 53.050 -0.372 0.000 0.785 396 N CB 0.817 39.072 38.487 -0.387 0.000 1.501 396 N HN 0.309 nan 8.380 nan 0.000 0.584 397 S N 0.699 116.250 115.700 -0.249 0.000 2.407 397 S HA -0.266 4.204 4.470 0.000 0.000 0.235 397 S C 1.959 176.421 174.600 -0.229 0.000 1.036 397 S CA 1.917 59.987 58.200 -0.217 0.000 1.013 397 S CB -0.461 62.646 63.200 -0.154 0.000 0.820 397 S HN 0.629 nan 8.310 nan 0.000 0.476 398 S N 2.198 117.786 115.700 -0.186 0.000 2.423 398 S HA 0.028 4.498 4.470 0.000 0.000 0.231 398 S C 1.798 176.211 174.600 -0.312 0.000 1.014 398 S CA 0.942 59.057 58.200 -0.142 0.000 0.965 398 S CB -0.953 62.250 63.200 0.004 0.000 0.785 398 S HN 0.614 nan 8.310 nan 0.000 0.495 399 I N 1.457 121.763 120.570 -0.440 0.000 2.151 399 I HA -0.194 3.976 4.170 0.000 0.000 0.243 399 I C 2.429 177.861 176.117 -1.140 0.000 1.080 399 I CA 1.510 62.304 61.300 -0.842 0.000 1.339 399 I CB -0.488 36.999 38.000 -0.855 0.000 1.039 399 I HN 0.309 nan 8.210 nan 0.000 0.409 400 L N 0.161 120.916 121.223 -0.779 0.000 2.275 400 L HA -0.180 4.160 4.340 0.000 0.000 0.215 400 L C 2.445 179.112 176.870 -0.338 0.000 1.119 400 L CA 0.976 55.495 54.840 -0.535 0.000 0.790 400 L CB -0.376 41.537 42.059 -0.244 0.000 0.919 400 L HN 0.303 nan 8.230 nan 0.000 0.443 401 E N 0.174 120.174 120.200 -0.333 0.000 2.028 401 E HA -0.220 4.130 4.350 0.000 0.000 0.191 401 E C 1.641 178.150 176.600 -0.153 0.000 0.988 401 E CA 1.354 57.642 56.400 -0.185 0.000 0.799 401 E CB 0.211 29.823 29.700 -0.147 0.000 0.755 401 E HN 0.360 nan 8.360 nan 0.000 0.447 402 D N -0.277 119.971 120.400 -0.253 0.000 2.144 402 D HA -0.169 4.471 4.640 0.000 0.000 0.199 402 D C 1.310 177.625 176.300 0.026 0.000 0.984 402 D CA 0.703 54.614 54.000 -0.150 0.000 0.834 402 D CB -0.264 40.383 40.800 -0.256 0.000 0.955 402 D HN 0.404 nan 8.370 nan 0.000 0.465 403 W N 1.495 122.756 121.300 -0.064 0.000 2.961 403 W HA 0.069 4.729 4.660 0.000 0.000 0.240 403 W C 0.570 177.076 176.519 -0.022 0.000 1.305 403 W CA -0.124 57.201 57.345 -0.034 0.000 1.465 403 W CB -1.302 28.148 29.460 -0.018 0.000 1.135 403 W HN -0.063 nan 8.180 nan 0.000 0.688 439 K N 1.084 121.477 120.400 -0.012 0.000 2.234 439 K HA 0.260 4.580 4.320 0.000 0.000 0.277 439 K C -0.807 175.770 176.600 -0.037 0.000 1.038 439 K CA -0.353 55.922 56.287 -0.020 0.000 0.888 439 K CB 0.456 32.939 32.500 -0.028 0.000 1.091 439 K HN 0.341 nan 8.250 nan 0.000 0.467 440 D N 4.802 125.185 120.400 -0.029 0.000 2.249 440 D HA 0.118 4.758 4.640 0.000 0.000 0.246 440 D C -1.592 174.633 176.300 -0.126 0.000 1.114 440 D CA -1.828 52.135 54.000 -0.061 0.000 0.854 440 D CB 1.419 42.233 40.800 0.023 0.000 1.132 440 D HN 0.263 nan 8.370 nan 0.000 0.461 441 P HA -0.082 nan 4.420 nan 0.000 0.234 441 P C 0.272 177.394 177.300 -0.295 0.000 1.167 441 P CA 0.748 63.629 63.100 -0.365 0.000 0.763 441 P CB -0.122 31.266 31.700 -0.521 0.000 0.835 442 Y N -0.726 119.625 120.300 0.085 0.000 2.658 442 Y HA 0.180 4.730 4.550 0.000 0.000 0.276 442 Y C 1.362 177.335 175.900 0.122 0.000 1.167 442 Y CA -0.606 57.589 58.100 0.158 0.000 1.230 442 Y CB -0.089 38.593 38.460 0.370 0.000 1.144 442 Y HN -0.143 nan 8.280 nan 0.000 0.529 443 D N 0.306 120.794 120.400 0.146 0.000 2.363 443 D HA -0.067 4.573 4.640 0.000 0.000 0.220 443 D C 1.663 177.988 176.300 0.043 0.000 0.994 443 D CA 0.727 54.785 54.000 0.097 0.000 0.890 443 D CB 0.268 41.101 40.800 0.055 0.000 0.906 443 D HN 0.258 nan 8.370 nan 0.000 0.530 444 K N -0.018 120.401 120.400 0.031 0.000 2.243 444 K HA 0.102 4.422 4.320 0.000 0.000 0.201 444 K C 0.960 177.517 176.600 -0.073 0.000 1.051 444 K CA 0.193 56.472 56.287 -0.013 0.000 0.970 444 K CB 0.528 33.023 32.500 -0.008 0.000 0.755 444 K HN 0.202 nan 8.250 nan 0.000 0.465 445 L N 2.199 123.342 121.223 -0.132 0.000 2.357 445 L HA 0.218 4.558 4.340 0.000 0.000 0.273 445 L C 0.298 176.835 176.870 -0.554 0.000 1.080 445 L CA -0.866 53.756 54.840 -0.363 0.000 0.803 445 L CB 0.530 42.285 42.059 -0.508 0.000 1.174 445 L HN -0.220 nan 8.230 nan 0.000 0.443 446 K N 2.914 123.003 120.400 -0.518 0.000 2.258 446 K HA 0.564 4.884 4.320 0.000 0.000 0.284 446 K C -0.898 175.411 176.600 -0.485 0.000 1.051 446 K CA 0.129 56.189 56.287 -0.379 0.000 0.923 446 K CB 0.990 33.382 32.500 -0.179 0.000 1.046 446 K HN 0.352 nan 8.250 nan 0.000 0.474 447 F N 0.285 120.271 119.950 0.060 0.000 2.643 447 F HA 0.286 4.813 4.527 0.000 0.000 0.314 447 F C -0.346 175.527 175.800 0.121 0.000 1.096 447 F CA -1.294 56.755 58.000 0.082 0.000 0.953 447 F CB 1.649 40.714 39.000 0.108 0.000 1.345 447 F HN 0.395 nan 8.300 nan 0.000 0.468 448 W N 4.412 125.781 121.300 0.115 0.000 2.311 448 W HA 0.318 4.978 4.660 0.000 0.000 0.317 448 W C -1.028 175.556 176.519 0.108 0.000 1.065 448 W CA -1.130 56.245 57.345 0.049 0.000 1.364 448 W CB 0.310 29.717 29.460 -0.088 0.000 1.233 448 W HN 0.418 nan 8.180 nan 0.000 0.409 449 N N 4.568 123.551 118.700 0.471 0.000 2.470 449 N HA 0.154 4.894 4.740 0.000 0.000 0.268 449 N C -1.008 174.700 175.510 0.330 0.000 1.136 449 N CA 0.046 53.282 53.050 0.309 0.000 0.961 449 N CB 2.013 40.616 38.487 0.194 0.000 1.067 449 N HN 0.102 nan 8.380 nan 0.000 0.468 450 V N 2.348 122.367 119.914 0.175 0.000 2.409 450 V HA 0.095 4.215 4.120 0.000 0.000 0.290 450 V C -0.115 176.004 176.094 0.043 0.000 1.017 450 V CA -0.878 61.494 62.300 0.121 0.000 0.841 450 V CB 1.745 33.594 31.823 0.044 0.000 1.003 450 V HN 0.555 nan 8.190 nan 0.000 0.426 451 D N 4.829 125.261 120.400 0.054 0.000 2.249 451 D HA 0.355 4.995 4.640 0.000 0.000 0.246 451 D C 0.078 176.386 176.300 0.013 0.000 1.114 451 D CA -0.143 53.868 54.000 0.017 0.000 0.854 451 D CB 1.791 42.611 40.800 0.034 0.000 1.132 451 D HN 0.470 nan 8.370 nan 0.000 0.461 452 L N 4.021 125.231 121.223 -0.021 0.000 3.202 452 L HA 0.185 4.525 4.340 0.000 0.000 0.278 452 L C 1.807 178.670 176.870 -0.011 0.000 1.268 452 L CA -0.206 54.651 54.840 0.030 0.000 1.034 452 L CB 0.435 42.533 42.059 0.066 0.000 1.407 452 L HN 0.202 nan 8.230 nan 0.000 0.581 453 K N 0.280 120.637 120.400 -0.073 0.000 2.155 453 K HA -0.046 4.274 4.320 0.000 0.000 0.203 453 K C 0.884 177.443 176.600 -0.070 0.000 1.052 453 K CA 0.817 57.006 56.287 -0.164 0.000 0.948 453 K CB 0.297 32.735 32.500 -0.103 0.000 0.728 453 K HN 0.189 nan 8.250 nan 0.000 0.448 454 E N 0.660 120.878 120.200 0.030 0.000 2.394 454 E HA 0.036 4.386 4.350 0.000 0.000 0.191 454 E C 0.229 176.921 176.600 0.152 0.000 1.044 454 E CA 0.288 56.745 56.400 0.095 0.000 0.939 454 E CB 0.555 30.306 29.700 0.085 0.000 1.089 454 E HN 0.209 nan 8.360 nan 0.000 0.456 455 K N 0.042 120.564 120.400 0.203 0.000 2.520 455 K HA 0.178 4.498 4.320 0.000 0.000 0.206 455 K C -0.023 176.766 176.600 0.315 0.000 1.122 455 K CA -0.350 56.077 56.287 0.233 0.000 1.045 455 K CB 0.655 33.252 32.500 0.161 0.000 0.932 455 K HN -0.080 nan 8.250 nan 0.000 0.571 456 F N 2.033 122.016 119.950 0.055 0.000 2.443 456 F HA 0.206 4.733 4.527 0.000 0.000 0.353 456 F C 0.948 176.952 175.800 0.340 0.000 1.101 456 F CA -0.198 57.874 58.000 0.121 0.000 1.226 456 F CB 1.196 40.145 39.000 -0.084 0.000 1.140 456 F HN -0.202 nan 8.300 nan 0.000 0.557 457 S N 3.461 119.449 115.700 0.481 0.000 2.548 457 S HA 0.559 5.029 4.470 0.000 0.000 0.286 457 S C 0.254 175.012 174.600 0.263 0.000 1.098 457 S CA -0.678 57.766 58.200 0.406 0.000 0.930 457 S CB 1.096 64.479 63.200 0.305 0.000 1.070 457 S HN 0.659 nan 8.310 nan 0.000 0.480 458 L N 1.610 122.885 121.223 0.087 0.000 2.554 458 L HA 0.260 4.600 4.340 0.000 0.000 0.225 458 L C -0.365 176.491 176.870 -0.024 0.000 1.104 458 L CA 0.291 55.018 54.840 -0.189 0.000 0.866 458 L CB 0.083 42.003 42.059 -0.231 0.000 1.047 458 L HN 0.639 nan 8.230 nan 0.000 0.468 459 D N -0.163 120.291 120.400 0.092 0.000 2.485 459 D HA 0.180 4.820 4.640 0.000 0.000 0.229 459 D C 1.014 177.405 176.300 0.152 0.000 1.101 459 D CA -0.340 53.714 54.000 0.089 0.000 0.906 459 D CB 0.586 41.419 40.800 0.054 0.000 1.019 459 D HN -0.015 nan 8.370 nan 0.000 0.516 460 L N 0.507 121.817 121.223 0.145 0.000 2.083 460 L HA -0.140 4.200 4.340 0.000 0.000 0.209 460 L C 2.129 179.092 176.870 0.156 0.000 1.083 460 L CA 1.161 56.115 54.840 0.190 0.000 0.752 460 L CB -0.357 41.813 42.059 0.185 0.000 0.899 460 L HN 0.420 nan 8.230 nan 0.000 0.433 461 D N 0.264 120.715 120.400 0.084 0.000 2.203 461 D HA -0.245 4.395 4.640 0.000 0.000 0.199 461 D C 1.816 178.088 176.300 -0.047 0.000 0.997 461 D CA 1.264 55.279 54.000 0.025 0.000 0.863 461 D CB 0.117 40.922 40.800 0.010 0.000 0.928 461 D HN 0.379 nan 8.370 nan 0.000 0.458 462 Q N -0.826 118.904 119.800 -0.116 0.000 2.488 462 Q HA -0.052 4.288 4.340 0.000 0.000 0.211 462 Q C -0.150 175.463 176.000 -0.645 0.000 0.967 462 Q CA 0.598 56.164 55.803 -0.395 0.000 0.926 462 Q CB 0.007 28.405 28.738 -0.568 0.000 0.992 462 Q HN 0.509 nan 8.270 nan 0.000 0.506 463 Y N -0.583 119.615 120.300 -0.170 0.000 2.499 463 Y HA 0.217 4.767 4.550 0.000 0.000 0.347 463 Y C -1.542 174.307 175.900 -0.084 0.000 0.987 463 Y CA -2.455 55.512 58.100 -0.221 0.000 1.044 463 Y CB 1.465 39.537 38.460 -0.646 0.000 1.245 463 Y HN -0.183 nan 8.280 nan 0.000 0.461 464 P HA -0.257 nan 4.420 nan 0.000 0.208 464 P C 1.765 179.140 177.300 0.125 0.000 1.180 464 P CA 1.631 64.782 63.100 0.086 0.000 0.935 464 P CB 0.535 32.271 31.700 0.060 0.000 0.785 465 L N -0.509 120.799 121.223 0.141 0.000 2.081 465 L HA -0.152 4.188 4.340 0.000 0.000 0.212 465 L C 2.630 179.666 176.870 0.278 0.000 1.080 465 L CA 2.370 57.292 54.840 0.138 0.000 0.754 465 L CB -1.365 40.690 42.059 -0.007 0.000 0.893 465 L HN 0.073 nan 8.230 nan 0.000 0.433 466 G N -0.495 108.490 108.800 0.308 0.000 2.418 466 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 466 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 466 G C 1.590 176.640 174.900 0.251 0.000 1.158 466 G CA 0.675 45.951 45.100 0.294 0.000 0.771 466 G HN 0.369 nan 8.290 nan 0.000 0.545 467 R N 0.451 121.051 120.500 0.166 0.000 2.073 467 R HA -0.017 4.323 4.340 0.000 0.000 0.234 467 R C 2.642 179.002 176.300 0.100 0.000 1.134 467 R CA 1.448 57.608 56.100 0.099 0.000 0.952 467 R CB -0.300 30.031 30.300 0.051 0.000 0.850 467 R HN 0.283 nan 8.270 nan 0.000 0.433 468 K N 0.028 120.522 120.400 0.157 0.000 2.074 468 K HA -0.194 4.126 4.320 0.000 0.000 0.209 468 K C 1.895 178.606 176.600 0.184 0.000 1.048 468 K CA 1.604 58.012 56.287 0.202 0.000 0.926 468 K CB -0.288 32.399 32.500 0.312 0.000 0.713 468 K HN 0.103 nan 8.250 nan 0.000 0.444 469 F N 1.623 121.631 119.950 0.097 0.000 2.234 469 F HA -0.085 4.442 4.527 0.000 0.000 0.299 469 F C 1.643 177.228 175.800 -0.358 0.000 1.087 469 F CA 0.997 58.812 58.000 -0.309 0.000 1.340 469 F CB -0.100 38.852 39.000 -0.080 0.000 1.031 469 F HN -0.093 nan 8.300 nan 0.000 0.500 470 L N -0.695 120.436 121.223 -0.153 0.000 2.046 470 L HA -0.234 4.106 4.340 0.000 0.000 0.208 470 L C 2.411 179.089 176.870 -0.320 0.000 1.077 470 L CA 1.183 55.868 54.840 -0.259 0.000 0.747 470 L CB -0.839 41.187 42.059 -0.056 0.000 0.896 470 L HN 0.018 nan 8.230 nan 0.000 0.432 471 V N -0.249 119.530 119.914 -0.225 0.000 2.231 471 V HA -0.359 3.761 4.120 0.000 0.000 0.248 471 V C 2.498 178.398 176.094 -0.323 0.000 1.054 471 V CA 2.223 64.399 62.300 -0.207 0.000 1.015 471 V CB -0.766 30.985 31.823 -0.121 0.000 0.638 471 V HN 0.583 nan 8.190 nan 0.000 0.444 472 Q N 0.277 119.797 119.800 -0.467 0.000 2.291 472 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 472 Q C 2.050 177.704 176.000 -0.577 0.000 0.976 472 Q CA 2.049 57.518 55.803 -0.556 0.000 0.875 472 Q CB -0.237 27.995 28.738 -0.843 0.000 0.927 472 Q HN 0.642 nan 8.270 nan 0.000 0.450 473 A N -0.762 121.639 122.820 -0.697 0.000 2.067 473 A HA 0.257 4.577 4.320 0.000 0.000 0.217 473 A C 1.646 179.019 177.584 -0.352 0.000 1.156 473 A CA 1.586 53.261 52.037 -0.603 0.000 0.683 473 A CB -0.123 18.397 19.000 -0.800 0.000 0.808 473 A HN 0.610 nan 8.150 nan 0.000 0.455 474 G N -1.025 107.602 108.800 -0.288 0.000 3.151 474 G HA2 -0.148 3.812 3.960 0.000 0.000 0.197 474 G HA3 -0.148 3.812 3.960 0.000 0.000 0.197 474 G C 0.423 175.229 174.900 -0.156 0.000 1.682 474 G CA -0.233 44.755 45.100 -0.185 0.000 1.205 474 G HN 0.912 nan 8.290 nan 0.000 0.510 475 L N 0.000 121.130 121.223 -0.155 0.000 2.949 475 L HA 0.000 4.340 4.340 0.000 0.000 0.249 475 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 475 L CB 0.000 42.007 42.059 -0.086 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502