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 2ibz_1_A DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPSA HTASVGVVFG SGAANENPYN NGVSNLWKNI DATA SEQUENCE FLSKENSAVA AKEGLALSSN ISRDFQSYIV SSLPGSTDKS LDFLNQSFIQ DATA SEQUENCE QKANLLSSSN FEATKKSVLK QVQDFEDNDH PNRVLEHLHS TAFQNTPLSL DATA SEQUENCE PTRGTLESLE NLVVADLESF ANNHFLNSNA VVVGTGNIKH EDLVNSIESK DATA SEQUENCE NLSLQTGTKP VLKKKAAFLG SEVRLRDDTL PKAWISLAVE GEPVNSPNYF DATA SEQUENCE VAKLAAQIFG SYNAFEPASR LQGIKLLDNI QEYQLCDNFN HFSLSYKDSG DATA SEQUENCE LWGFSTATRN VTMIDDLIHF TLKQWNRLTI SVTDTEVERA KSLLKLQLGQ DATA SEQUENCE LYESGNPVND ANLLGAEVLI KGSKLSLGEA FKKIDAITVK DVKAWAGKRL DATA SEQUENCE WDQDIAIAGT GQIEGLLDYM RIRSDMSMMR W 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.515 177.584 -0.115 0.000 1.274 27 A CA 0.000 51.964 52.037 -0.122 0.000 0.836 27 A CB 0.000 18.937 19.000 -0.104 0.000 0.831 28 E N 0.541 120.644 120.200 -0.163 0.000 2.175 28 E HA 0.491 4.841 4.350 -0.000 0.000 0.278 28 E C -1.093 175.469 176.600 -0.063 0.000 0.969 28 E CA -0.572 55.773 56.400 -0.092 0.000 0.796 28 E CB 2.282 31.962 29.700 -0.034 0.000 1.104 28 E HN 0.092 nan 8.360 nan 0.000 0.395 29 V N 3.675 123.560 119.914 -0.047 0.000 2.257 29 V HA 0.139 4.259 4.120 -0.000 0.000 0.269 29 V C 0.096 176.137 176.094 -0.087 0.000 1.040 29 V CA -0.647 61.615 62.300 -0.063 0.000 0.813 29 V CB 0.454 32.243 31.823 -0.057 0.000 1.065 29 V HN 0.694 nan 8.190 nan 0.000 0.457 30 T N 1.615 116.087 114.554 -0.137 0.000 2.799 30 T HA 0.662 5.011 4.350 -0.000 0.000 0.286 30 T C -0.560 173.863 174.700 -0.463 0.000 0.973 30 T CA -0.627 61.306 62.100 -0.279 0.000 1.035 30 T CB 2.182 70.849 68.868 -0.335 0.000 0.932 30 T HN 0.534 nan 8.240 nan 0.000 0.469 31 Q N 2.958 122.559 119.800 -0.331 0.000 2.280 31 Q HA 0.466 4.806 4.340 -0.000 0.000 0.259 31 Q C -2.148 173.830 176.000 -0.036 0.000 0.964 31 Q CA -0.561 55.115 55.803 -0.213 0.000 0.844 31 Q CB 1.919 30.582 28.738 -0.125 0.000 1.334 31 Q HN 0.859 nan 8.270 nan 0.000 0.423 32 L N 1.237 122.518 121.223 0.096 0.000 2.371 32 L HA 0.637 4.977 4.340 -0.000 0.000 0.262 32 L C -0.452 176.458 176.870 0.066 0.000 1.006 32 L CA -0.790 54.121 54.840 0.118 0.000 0.818 32 L CB 2.439 44.620 42.059 0.204 0.000 1.354 32 L HN 0.548 nan 8.230 nan 0.000 0.415 33 S N 0.107 115.827 115.700 0.033 0.000 2.519 33 S HA 0.486 4.956 4.470 -0.000 0.000 0.309 33 S C -0.202 174.401 174.600 0.006 0.000 1.100 33 S CA -0.554 57.654 58.200 0.014 0.000 1.059 33 S CB 1.031 64.234 63.200 0.006 0.000 1.008 33 S HN 0.786 nan 8.310 nan 0.000 0.478 34 N N 3.316 122.015 118.700 -0.002 0.000 2.677 34 N HA 0.317 5.057 4.740 -0.000 0.000 0.242 34 N C 1.164 176.669 175.510 -0.008 0.000 1.044 34 N CA 0.118 53.163 53.050 -0.008 0.000 0.934 34 N CB 0.008 38.485 38.487 -0.016 0.000 1.595 34 N HN 0.560 nan 8.380 nan 0.000 0.459 35 G N -0.476 108.318 108.800 -0.009 0.000 2.310 35 G HA2 0.412 4.372 3.960 -0.000 0.000 0.185 35 G HA3 0.412 4.372 3.960 -0.000 0.000 0.185 35 G C -0.168 174.727 174.900 -0.008 0.000 1.460 35 G CA -0.150 44.945 45.100 -0.008 0.000 0.660 35 G HN 0.104 nan 8.290 nan 0.000 1.081 36 I N 0.881 121.443 120.570 -0.014 0.000 2.730 36 I HA 0.471 4.641 4.170 -0.000 0.000 0.298 36 I C -0.819 175.287 176.117 -0.020 0.000 1.089 36 I CA -1.303 59.984 61.300 -0.021 0.000 1.041 36 I CB 2.932 40.911 38.000 -0.035 0.000 1.235 36 I HN -0.151 nan 8.210 nan 0.000 0.423 37 V N 6.706 126.605 119.914 -0.026 0.000 2.389 37 V HA 0.343 4.463 4.120 -0.000 0.000 0.264 37 V C -0.344 175.733 176.094 -0.028 0.000 1.049 37 V CA -0.109 62.178 62.300 -0.021 0.000 0.932 37 V CB 1.170 32.978 31.823 -0.026 0.000 1.011 37 V HN 0.446 nan 8.190 nan 0.000 0.475 38 V N 7.166 127.085 119.914 0.009 0.000 2.394 38 V HA 0.806 4.926 4.120 -0.000 0.000 0.282 38 V C 0.487 176.599 176.094 0.029 0.000 1.031 38 V CA 0.039 62.359 62.300 0.034 0.000 0.881 38 V CB 1.120 33.005 31.823 0.102 0.000 0.982 38 V HN 1.101 nan 8.190 nan 0.000 0.451 39 A N 3.995 126.794 122.820 -0.035 0.000 2.343 39 A HA 0.935 5.255 4.320 -0.000 0.000 0.308 39 A C -0.057 177.473 177.584 -0.090 0.000 1.092 39 A CA -0.347 51.630 52.037 -0.100 0.000 0.751 39 A CB 1.701 20.635 19.000 -0.110 0.000 1.203 39 A HN 0.945 nan 8.150 nan 0.000 0.452 40 T N -0.957 113.516 114.554 -0.135 0.000 2.841 40 T HA 0.786 5.136 4.350 -0.000 0.000 0.296 40 T C -0.918 173.755 174.700 -0.045 0.000 1.166 40 T CA -0.649 61.415 62.100 -0.059 0.000 1.007 40 T CB 2.000 70.883 68.868 0.026 0.000 1.253 40 T HN 0.684 nan 8.240 nan 0.000 0.511 41 E N 0.919 121.130 120.200 0.017 0.000 2.378 41 E HA 0.269 4.619 4.350 -0.000 0.000 0.282 41 E C -1.087 175.556 176.600 0.070 0.000 0.910 41 E CA -0.676 55.739 56.400 0.026 0.000 0.816 41 E CB 0.743 30.415 29.700 -0.047 0.000 1.359 41 E HN 0.942 nan 8.360 nan 0.000 0.397 42 H N 1.976 121.032 119.070 -0.024 0.000 2.505 42 H HA 0.528 5.084 4.556 0.000 0.000 0.351 42 H C -0.201 175.122 175.328 -0.007 0.000 1.151 42 H CA -0.798 55.245 56.048 -0.009 0.000 1.339 42 H CB 1.123 30.886 29.762 0.002 0.000 1.483 42 H HN 0.221 nan 8.280 nan 0.000 0.558 43 N N 2.863 121.587 118.700 0.041 0.000 2.793 43 N HA 0.043 4.783 4.740 -0.000 0.000 0.251 43 N C -2.275 173.259 175.510 0.039 0.000 1.308 43 N CA -1.397 51.648 53.050 -0.009 0.000 0.781 43 N CB 1.520 39.997 38.487 -0.016 0.000 1.439 43 N HN 0.509 nan 8.380 nan 0.000 0.562 44 P HA -0.178 nan 4.420 nan 0.000 0.217 44 P C 1.187 178.507 177.300 0.033 0.000 1.148 44 P CA 1.320 64.448 63.100 0.046 0.000 0.834 44 P CB 0.182 31.910 31.700 0.046 0.000 0.783 45 S N -0.950 114.773 115.700 0.038 0.000 2.515 45 S HA 0.146 4.616 4.470 -0.000 0.000 0.231 45 S C 1.223 175.895 174.600 0.119 0.000 0.987 45 S CA 0.116 58.352 58.200 0.061 0.000 0.936 45 S CB -0.896 62.336 63.200 0.053 0.000 0.766 45 S HN 0.229 nan 8.310 nan 0.000 0.528 46 A N 1.280 124.160 122.820 0.099 0.000 2.409 46 A HA 0.463 4.783 4.320 -0.000 0.000 0.262 46 A C 0.671 178.359 177.584 0.173 0.000 1.113 46 A CA -0.361 51.758 52.037 0.136 0.000 0.790 46 A CB -0.030 19.016 19.000 0.076 0.000 1.046 46 A HN 0.451 nan 8.150 nan 0.000 0.496 47 H N 1.091 120.166 119.070 0.008 0.000 2.428 47 H HA 0.025 4.581 4.556 0.000 0.000 0.296 47 H C 1.501 176.834 175.328 0.007 0.000 1.062 47 H CA 1.807 57.859 56.048 0.008 0.000 1.350 47 H CB 0.010 29.776 29.762 0.006 0.000 1.403 47 H HN 0.763 nan 8.280 nan 0.000 0.533 48 T N -2.171 112.463 114.554 0.134 0.000 2.938 48 T HA 0.813 5.163 4.350 -0.000 0.000 0.285 48 T C -0.272 174.457 174.700 0.050 0.000 1.028 48 T CA -0.616 61.528 62.100 0.073 0.000 1.005 48 T CB 2.374 71.278 68.868 0.058 0.000 1.157 48 T HN 0.214 nan 8.240 nan 0.000 0.550 49 A N 0.687 123.528 122.820 0.035 0.000 2.422 49 A HA 0.728 5.048 4.320 -0.000 0.000 0.302 49 A C -0.453 177.146 177.584 0.025 0.000 1.041 49 A CA -0.825 51.230 52.037 0.029 0.000 0.708 49 A CB 1.616 20.631 19.000 0.025 0.000 1.257 49 A HN 0.778 nan 8.150 nan 0.000 0.414 50 S N 0.499 116.211 115.700 0.020 0.000 2.473 50 S HA 0.686 5.156 4.470 -0.000 0.000 0.307 50 S C -0.576 174.031 174.600 0.012 0.000 1.094 50 S CA -0.499 57.713 58.200 0.020 0.000 1.070 50 S CB 1.525 64.734 63.200 0.015 0.000 1.019 50 S HN 0.721 nan 8.310 nan 0.000 0.480 51 V N 1.862 121.790 119.914 0.023 0.000 2.735 51 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 51 V C 0.415 176.516 176.094 0.012 0.000 1.061 51 V CA -0.402 61.903 62.300 0.010 0.000 0.913 51 V CB 1.729 33.564 31.823 0.021 0.000 1.005 51 V HN 1.056 nan 8.190 nan 0.000 0.428 52 G N 1.408 110.182 108.800 -0.044 0.000 2.523 52 G HA2 0.539 4.499 3.960 -0.000 0.000 0.291 52 G HA3 0.539 4.499 3.960 -0.000 0.000 0.291 52 G C -2.054 172.725 174.900 -0.201 0.000 1.450 52 G CA -0.430 44.620 45.100 -0.084 0.000 0.790 52 G HN 0.796 nan 8.290 nan 0.000 0.496 53 V N 0.146 119.864 119.914 -0.328 0.000 2.483 53 V HA 0.771 4.891 4.120 -0.000 0.000 0.295 53 V C -0.717 175.036 176.094 -0.569 0.000 1.035 53 V CA -0.579 61.396 62.300 -0.543 0.000 0.896 53 V CB 1.513 32.823 31.823 -0.855 0.000 0.986 53 V HN 0.784 nan 8.190 nan 0.000 0.447 54 V N 7.577 127.169 119.914 -0.537 0.000 2.407 54 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 54 V C -0.481 175.400 176.094 -0.355 0.000 1.018 54 V CA -0.512 61.578 62.300 -0.349 0.000 0.842 54 V CB 1.171 32.849 31.823 -0.240 0.000 0.996 54 V HN 0.752 nan 8.190 nan 0.000 0.426 55 F N 1.705 121.680 119.950 0.040 0.000 2.385 55 F HA 0.538 5.065 4.527 -0.000 0.000 0.336 55 F C 1.504 177.392 175.800 0.146 0.000 1.100 55 F CA -0.353 57.692 58.000 0.075 0.000 1.116 55 F CB 1.318 40.384 39.000 0.110 0.000 1.166 55 F HN 0.582 nan 8.300 nan 0.000 0.511 56 G N 1.324 110.309 108.800 0.309 0.000 3.375 56 G HA2 0.251 4.211 3.960 -0.000 0.000 0.247 56 G HA3 0.251 4.211 3.960 -0.000 0.000 0.247 56 G C -0.367 174.669 174.900 0.227 0.000 1.343 56 G CA 0.020 45.259 45.100 0.233 0.000 1.368 56 G HN 0.436 nan 8.290 nan 0.000 0.549 57 S N -1.666 114.193 115.700 0.265 0.000 2.566 57 S HA 0.724 5.194 4.470 -0.000 0.000 0.273 57 S C 0.243 174.959 174.600 0.193 0.000 1.157 57 S CA -0.227 58.070 58.200 0.161 0.000 0.938 57 S CB 2.059 65.280 63.200 0.035 0.000 1.087 57 S HN 0.545 nan 8.310 nan 0.000 0.474 58 G N 0.865 109.723 108.800 0.096 0.000 3.247 58 G HA2 0.670 4.630 3.960 -0.000 0.000 0.226 58 G HA3 0.670 4.630 3.960 -0.000 0.000 0.226 58 G C 0.832 175.728 174.900 -0.007 0.000 1.220 58 G CA -0.001 45.123 45.100 0.040 0.000 0.875 58 G HN 0.782 nan 8.290 nan 0.000 0.606 59 A N -0.614 122.145 122.820 -0.102 0.000 2.076 59 A HA 0.235 4.555 4.320 -0.000 0.000 0.220 59 A C 2.450 179.963 177.584 -0.119 0.000 1.160 59 A CA 2.506 54.462 52.037 -0.134 0.000 0.653 59 A CB -0.728 18.165 19.000 -0.179 0.000 0.801 59 A HN 1.439 nan 8.150 nan 0.000 0.455 60 A N -0.404 122.345 122.820 -0.119 0.000 2.209 60 A HA -0.049 4.271 4.320 -0.000 0.000 0.212 60 A C 1.662 179.214 177.584 -0.053 0.000 1.158 60 A CA 1.086 53.056 52.037 -0.112 0.000 0.742 60 A CB -0.375 18.545 19.000 -0.133 0.000 0.790 60 A HN 0.625 nan 8.150 nan 0.000 0.472 61 N N -0.209 118.473 118.700 -0.030 0.000 2.282 61 N HA 0.024 4.764 4.740 -0.000 0.000 0.185 61 N C 0.106 175.647 175.510 0.052 0.000 1.099 61 N CA 0.068 53.111 53.050 -0.012 0.000 0.878 61 N CB 0.441 38.845 38.487 -0.138 0.000 0.993 61 N HN 0.639 nan 8.380 nan 0.000 0.481 62 E N 1.112 121.331 120.200 0.032 0.000 2.421 62 E HA 0.147 4.497 4.350 -0.000 0.000 0.253 62 E C -0.434 176.178 176.600 0.020 0.000 1.277 62 E CA 0.020 56.436 56.400 0.027 0.000 0.968 62 E CB 0.577 30.220 29.700 -0.096 0.000 1.040 62 E HN 0.114 nan 8.360 nan 0.000 0.512 63 N N -0.584 118.125 118.700 0.014 0.000 2.457 63 N HA 0.183 4.923 4.740 -0.000 0.000 0.290 63 N C -2.219 173.239 175.510 -0.085 0.000 1.232 63 N CA -1.303 51.752 53.050 0.009 0.000 0.852 63 N CB 1.374 39.914 38.487 0.089 0.000 1.313 63 N HN 0.120 nan 8.380 nan 0.000 0.522 64 P HA -0.064 nan 4.420 nan 0.000 0.223 64 P C 0.055 177.019 177.300 -0.560 0.000 1.151 64 P CA 1.268 64.118 63.100 -0.417 0.000 0.787 64 P CB 0.100 31.433 31.700 -0.611 0.000 0.788 65 Y N -0.605 119.688 120.300 -0.010 0.000 2.476 65 Y HA 0.044 4.594 4.550 -0.000 0.000 0.283 65 Y C 1.592 177.480 175.900 -0.021 0.000 1.109 65 Y CA 0.664 58.757 58.100 -0.012 0.000 1.246 65 Y CB -0.789 37.669 38.460 -0.003 0.000 1.068 65 Y HN 0.098 nan 8.280 nan 0.000 0.552 66 N N -0.870 117.868 118.700 0.063 0.000 2.214 66 N HA 0.013 4.753 4.740 -0.000 0.000 0.214 66 N C -0.363 175.101 175.510 -0.077 0.000 1.132 66 N CA -0.312 52.743 53.050 0.009 0.000 0.856 66 N CB -0.174 38.332 38.487 0.031 0.000 1.020 66 N HN -0.052 nan 8.380 nan 0.000 0.509 67 N N 0.808 119.453 118.700 -0.092 0.000 2.414 67 N HA 0.211 4.951 4.740 -0.000 0.000 0.268 67 N C 1.030 176.460 175.510 -0.134 0.000 1.286 67 N CA 1.646 54.618 53.050 -0.131 0.000 0.896 67 N CB 0.095 38.499 38.487 -0.138 0.000 1.093 67 N HN 0.493 nan 8.380 nan 0.000 0.480 68 G N 1.424 110.124 108.800 -0.166 0.000 2.205 68 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.180 68 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.180 68 G C 0.726 175.527 174.900 -0.166 0.000 1.004 68 G CA 0.070 45.078 45.100 -0.152 0.000 0.670 68 G HN 0.602 nan 8.290 nan 0.000 0.496 69 V N 1.035 120.809 119.914 -0.234 0.000 2.358 69 V HA -0.056 4.064 4.120 -0.000 0.000 0.246 69 V C 2.598 178.572 176.094 -0.201 0.000 1.047 69 V CA 3.359 65.496 62.300 -0.271 0.000 1.035 69 V CB -0.226 31.360 31.823 -0.395 0.000 0.658 69 V HN 0.401 nan 8.190 nan 0.000 0.452 70 S N 0.678 116.212 115.700 -0.276 0.000 2.368 70 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 70 S C 1.850 176.527 174.600 0.129 0.000 1.030 70 S CA 1.874 60.079 58.200 0.008 0.000 0.999 70 S CB -0.627 62.544 63.200 -0.049 0.000 0.844 70 S HN 0.765 nan 8.310 nan 0.000 0.459 71 N N 1.186 119.881 118.700 -0.009 0.000 2.166 71 N HA -0.043 4.697 4.740 -0.000 0.000 0.186 71 N C 1.559 177.094 175.510 0.042 0.000 1.019 71 N CA 0.680 53.726 53.050 -0.006 0.000 0.856 71 N CB -0.414 38.021 38.487 -0.087 0.000 0.993 71 N HN 0.182 nan 8.380 nan 0.000 0.426 72 L N -0.631 120.592 121.223 -0.000 0.000 2.056 72 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 72 L C 1.787 178.703 176.870 0.076 0.000 1.078 72 L CA 1.443 56.260 54.840 -0.038 0.000 0.749 72 L CB -0.935 41.041 42.059 -0.138 0.000 0.901 72 L HN 0.318 nan 8.230 nan 0.000 0.433 73 W N 0.363 121.754 121.300 0.152 0.000 2.333 73 W HA -0.293 4.367 4.660 -0.000 0.000 0.316 73 W C 2.779 179.526 176.519 0.381 0.000 1.215 73 W CA 1.831 59.344 57.345 0.279 0.000 1.278 73 W CB -0.185 29.521 29.460 0.410 0.000 1.154 73 W HN 0.099 nan 8.180 nan 0.000 0.486 74 K N 0.410 121.186 120.400 0.627 0.000 2.074 74 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 74 K C 1.616 178.461 176.600 0.408 0.000 1.048 74 K CA 1.869 58.440 56.287 0.473 0.000 0.926 74 K CB -0.595 32.012 32.500 0.178 0.000 0.713 74 K HN 0.191 nan 8.250 nan 0.000 0.444 75 N N 1.103 119.961 118.700 0.264 0.000 2.244 75 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 75 N C 1.984 177.610 175.510 0.194 0.000 1.016 75 N CA 1.576 54.731 53.050 0.176 0.000 0.866 75 N CB -0.096 38.427 38.487 0.059 0.000 0.980 75 N HN 0.496 nan 8.380 nan 0.000 0.430 76 I N -2.327 118.389 120.570 0.244 0.000 2.584 76 I HA -0.046 4.124 4.170 -0.000 0.000 0.255 76 I C 2.150 178.446 176.117 0.299 0.000 1.145 76 I CA 0.648 62.078 61.300 0.216 0.000 1.462 76 I CB -0.650 37.456 38.000 0.175 0.000 1.102 76 I HN -0.183 nan 8.210 nan 0.000 0.433 77 F N 2.563 122.690 119.950 0.295 0.000 2.250 77 F HA -0.030 4.497 4.527 0.000 0.000 0.301 77 F C 1.651 177.616 175.800 0.276 0.000 1.077 77 F CA 1.559 59.743 58.000 0.306 0.000 1.348 77 F CB 0.062 39.350 39.000 0.480 0.000 1.040 77 F HN -0.018 nan 8.300 nan 0.000 0.509 78 L N -0.313 121.110 121.223 0.334 0.000 2.741 78 L HA 0.170 4.511 4.340 -0.000 0.000 0.237 78 L C 1.073 178.009 176.870 0.111 0.000 1.178 78 L CA -0.288 54.668 54.840 0.194 0.000 0.973 78 L CB -0.544 41.661 42.059 0.243 0.000 1.255 78 L HN 0.003 nan 8.230 nan 0.000 0.498 79 S N 0.617 116.378 115.700 0.103 0.000 2.566 79 S HA -0.077 4.393 4.470 -0.000 0.000 0.280 79 S C 1.443 176.072 174.600 0.048 0.000 1.343 79 S CA 0.005 58.246 58.200 0.069 0.000 1.036 79 S CB 1.041 64.282 63.200 0.069 0.000 0.866 79 S HN 0.387 nan 8.310 nan 0.000 0.526 80 K N 2.141 122.563 120.400 0.036 0.000 2.113 80 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 80 K C 1.835 178.454 176.600 0.032 0.000 1.047 80 K CA 2.050 58.353 56.287 0.028 0.000 0.928 80 K CB -0.185 32.328 32.500 0.021 0.000 0.716 80 K HN 0.777 nan 8.250 nan 0.000 0.446 81 E N 0.063 120.285 120.200 0.037 0.000 2.015 81 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 81 E C 1.931 178.568 176.600 0.061 0.000 0.991 81 E CA 1.362 57.787 56.400 0.042 0.000 0.802 81 E CB -0.188 29.534 29.700 0.037 0.000 0.759 81 E HN 0.328 nan 8.360 nan 0.000 0.447 82 N N 0.272 119.009 118.700 0.063 0.000 2.244 82 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 82 N C 1.763 177.378 175.510 0.174 0.000 1.016 82 N CA 1.075 54.188 53.050 0.105 0.000 0.866 82 N CB -0.001 38.495 38.487 0.015 0.000 0.980 82 N HN -0.085 nan 8.380 nan 0.000 0.430 83 S N -1.116 114.624 115.700 0.066 0.000 2.406 83 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 83 S C 1.833 176.425 174.600 -0.013 0.000 1.020 83 S CA 0.897 59.103 58.200 0.010 0.000 0.965 83 S CB -0.378 62.827 63.200 0.009 0.000 0.798 83 S HN 0.499 nan 8.310 nan 0.000 0.488 84 A N 0.659 123.490 122.820 0.018 0.000 1.969 84 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 84 A C 2.197 179.789 177.584 0.013 0.000 1.169 84 A CA 1.386 53.428 52.037 0.009 0.000 0.635 84 A CB -0.757 18.255 19.000 0.020 0.000 0.810 84 A HN 0.416 nan 8.150 nan 0.000 0.445 85 V N -0.283 119.674 119.914 0.072 0.000 2.407 85 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 85 V C 2.919 179.026 176.094 0.022 0.000 1.055 85 V CA 1.897 64.275 62.300 0.130 0.000 1.049 85 V CB -0.965 31.036 31.823 0.296 0.000 0.662 85 V HN 0.597 nan 8.190 nan 0.000 0.455 86 A N -0.452 122.236 122.820 -0.220 0.000 2.021 86 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 86 A C 2.330 179.734 177.584 -0.300 0.000 1.163 86 A CA 1.335 52.993 52.037 -0.631 0.000 0.676 86 A CB -0.413 17.869 19.000 -1.198 0.000 0.818 86 A HN 0.510 nan 8.150 nan 0.000 0.453 87 A N -0.058 122.662 122.820 -0.167 0.000 1.968 87 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 87 A C 2.061 179.606 177.584 -0.066 0.000 1.169 87 A CA 1.389 53.367 52.037 -0.098 0.000 0.638 87 A CB -0.246 18.718 19.000 -0.059 0.000 0.812 87 A HN 0.293 nan 8.150 nan 0.000 0.446 88 K N -0.149 120.222 120.400 -0.049 0.000 2.057 88 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 88 K C 1.727 178.309 176.600 -0.029 0.000 1.049 88 K CA 1.612 57.885 56.287 -0.024 0.000 0.931 88 K CB -0.286 32.212 32.500 -0.004 0.000 0.714 88 K HN 0.509 nan 8.250 nan 0.000 0.440 89 E N -0.188 119.984 120.200 -0.047 0.000 2.478 89 E HA -0.036 4.314 4.350 -0.000 0.000 0.198 89 E C 0.501 177.067 176.600 -0.056 0.000 1.046 89 E CA 0.688 57.061 56.400 -0.044 0.000 0.870 89 E CB -0.112 29.558 29.700 -0.049 0.000 0.818 89 E HN 0.471 nan 8.360 nan 0.000 0.527 90 G N -0.035 108.723 108.800 -0.069 0.000 2.149 90 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.235 90 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.235 90 G C -0.448 174.406 174.900 -0.076 0.000 1.018 90 G CA 0.314 45.379 45.100 -0.058 0.000 0.728 90 G HN 0.126 nan 8.290 nan 0.000 0.508 91 L N 0.410 121.552 121.223 -0.136 0.000 2.325 91 L HA 0.882 5.222 4.340 -0.000 0.000 0.278 91 L C 0.541 177.316 176.870 -0.158 0.000 1.023 91 L CA -0.334 54.410 54.840 -0.160 0.000 0.811 91 L CB 1.869 43.765 42.059 -0.271 0.000 1.249 91 L HN 0.552 nan 8.230 nan 0.000 0.431 92 A N 3.940 126.707 122.820 -0.089 0.000 2.318 92 A HA 0.816 5.136 4.320 -0.000 0.000 0.324 92 A C -0.793 176.790 177.584 -0.001 0.000 1.170 92 A CA -0.524 51.485 52.037 -0.047 0.000 0.810 92 A CB 0.566 19.560 19.000 -0.010 0.000 1.198 92 A HN 0.632 nan 8.150 nan 0.000 0.484 93 L N 1.413 122.652 121.223 0.027 0.000 2.343 93 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 93 L C 0.180 177.174 176.870 0.206 0.000 1.056 93 L CA -0.325 54.609 54.840 0.157 0.000 0.804 93 L CB 1.791 43.924 42.059 0.123 0.000 1.203 93 L HN 0.666 nan 8.230 nan 0.000 0.440 94 S N 0.694 116.577 115.700 0.304 0.000 2.543 94 S HA 0.511 4.981 4.470 -0.000 0.000 0.273 94 S C -1.162 173.539 174.600 0.170 0.000 1.152 94 S CA -0.521 57.799 58.200 0.200 0.000 0.910 94 S CB 2.121 65.387 63.200 0.111 0.000 1.105 94 S HN 0.610 nan 8.310 nan 0.000 0.465 95 S N 2.293 118.040 115.700 0.079 0.000 2.564 95 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 95 S C -1.825 172.710 174.600 -0.109 0.000 1.124 95 S CA -0.703 57.425 58.200 -0.120 0.000 0.869 95 S CB 1.349 64.436 63.200 -0.188 0.000 1.105 95 S HN 0.732 nan 8.310 nan 0.000 0.472 96 N N 3.684 122.278 118.700 -0.177 0.000 2.454 96 N HA 0.311 5.051 4.740 -0.000 0.000 0.291 96 N C -1.687 173.721 175.510 -0.171 0.000 1.079 96 N CA -0.429 52.556 53.050 -0.108 0.000 0.893 96 N CB 0.996 39.480 38.487 -0.005 0.000 1.512 96 N HN 0.503 nan 8.380 nan 0.000 0.497 97 I N 2.090 122.551 120.570 -0.182 0.000 2.321 97 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 97 I C 0.871 176.798 176.117 -0.317 0.000 0.998 97 I CA -0.193 60.978 61.300 -0.216 0.000 1.227 97 I CB 0.614 38.532 38.000 -0.138 0.000 1.368 97 I HN 0.431 nan 8.210 nan 0.000 0.466 98 S N 5.644 121.029 115.700 -0.525 0.000 2.786 98 S HA 0.538 5.008 4.470 -0.000 0.000 0.302 98 S C 1.219 175.572 174.600 -0.411 0.000 1.080 98 S CA -0.445 57.404 58.200 -0.586 0.000 0.925 98 S CB 1.599 64.061 63.200 -1.229 0.000 1.325 98 S HN 0.620 nan 8.310 nan 0.000 0.576 99 R N 0.054 120.360 120.500 -0.324 0.000 2.064 99 R HA 0.162 4.502 4.340 -0.000 0.000 0.221 99 R C 0.899 177.107 176.300 -0.152 0.000 1.136 99 R CA 1.109 57.056 56.100 -0.255 0.000 0.980 99 R CB -0.292 29.779 30.300 -0.383 0.000 0.876 99 R HN 0.570 nan 8.270 nan 0.000 0.437 100 D N -0.125 120.253 120.400 -0.036 0.000 2.333 100 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 100 D C 0.413 176.831 176.300 0.196 0.000 0.984 100 D CA 0.687 54.752 54.000 0.108 0.000 0.873 100 D CB 0.393 41.339 40.800 0.242 0.000 0.935 100 D HN 0.084 nan 8.370 nan 0.000 0.521 101 F N -0.639 119.352 119.950 0.068 0.000 2.824 101 F HA 0.631 5.158 4.527 -0.000 0.000 0.330 101 F C -1.203 174.653 175.800 0.092 0.000 1.175 101 F CA -1.218 56.833 58.000 0.085 0.000 0.974 101 F CB 1.579 40.609 39.000 0.051 0.000 1.430 101 F HN -0.359 nan 8.300 nan 0.000 0.507 102 Q N 1.034 121.076 119.800 0.402 0.000 2.353 102 Q HA 0.612 4.952 4.340 -0.000 0.000 0.275 102 Q C -1.975 174.186 176.000 0.267 0.000 1.029 102 Q CA -0.690 55.256 55.803 0.239 0.000 0.848 102 Q CB 2.439 31.396 28.738 0.366 0.000 1.390 102 Q HN 1.101 nan 8.270 nan 0.000 0.401 103 S N 1.646 117.312 115.700 -0.057 0.000 2.536 103 S HA 0.671 5.141 4.470 -0.000 0.000 0.271 103 S C -1.729 172.494 174.600 -0.628 0.000 1.134 103 S CA -0.543 57.545 58.200 -0.187 0.000 0.897 103 S CB 0.921 64.108 63.200 -0.022 0.000 1.094 103 S HN 0.505 nan 8.310 nan 0.000 0.473 104 Y N 1.639 121.797 120.300 -0.238 0.000 2.326 104 Y HA 0.655 5.205 4.550 0.000 0.000 0.331 104 Y C -0.211 175.582 175.900 -0.178 0.000 0.962 104 Y CA -0.823 57.026 58.100 -0.419 0.000 1.167 104 Y CB 1.366 39.403 38.460 -0.705 0.000 1.148 104 Y HN 0.649 nan 8.280 nan 0.000 0.463 105 I N 3.700 124.324 120.570 0.089 0.000 2.569 105 I HA 0.627 4.797 4.170 -0.000 0.000 0.296 105 I C -1.044 175.237 176.117 0.275 0.000 1.028 105 I CA -1.226 60.160 61.300 0.144 0.000 1.082 105 I CB 2.158 40.193 38.000 0.058 0.000 1.264 105 I HN 0.197 nan 8.210 nan 0.000 0.429 106 V N 3.820 123.859 119.914 0.209 0.000 2.483 106 V HA 0.413 4.533 4.120 -0.000 0.000 0.297 106 V C -0.210 175.935 176.094 0.084 0.000 1.027 106 V CA -0.503 61.901 62.300 0.174 0.000 0.855 106 V CB 1.663 33.610 31.823 0.207 0.000 0.995 106 V HN 0.747 nan 8.190 nan 0.000 0.424 107 S N 3.019 118.749 115.700 0.051 0.000 2.565 107 S HA 0.897 5.367 4.470 -0.000 0.000 0.290 107 S C 0.020 174.625 174.600 0.009 0.000 1.150 107 S CA -0.482 57.736 58.200 0.029 0.000 1.058 107 S CB 1.761 64.978 63.200 0.028 0.000 1.032 107 S HN 1.100 nan 8.310 nan 0.000 0.510 108 S N 1.290 116.998 115.700 0.012 0.000 2.672 108 S HA 0.659 5.129 4.470 -0.000 0.000 0.271 108 S C -1.312 173.297 174.600 0.014 0.000 1.171 108 S CA -0.865 57.337 58.200 0.004 0.000 0.817 108 S CB 0.219 63.420 63.200 0.002 0.000 1.150 108 S HN 0.320 nan 8.310 nan 0.000 0.478 109 L N 2.377 123.607 121.223 0.010 0.000 2.453 109 L HA 0.440 4.780 4.340 -0.000 0.000 0.261 109 L C -1.095 175.782 176.870 0.011 0.000 1.179 109 L CA -1.691 53.157 54.840 0.014 0.000 0.813 109 L CB -0.066 41.998 42.059 0.008 0.000 1.110 109 L HN 0.602 nan 8.230 nan 0.000 0.466 110 P HA -0.118 nan 4.420 nan 0.000 0.221 110 P C 1.035 178.335 177.300 -0.000 0.000 1.145 110 P CA 1.427 64.530 63.100 0.004 0.000 0.795 110 P CB 0.238 31.935 31.700 -0.004 0.000 0.775 111 G N -0.212 108.587 108.800 -0.002 0.000 2.459 111 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.213 111 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.213 111 G C 1.336 176.237 174.900 0.001 0.000 1.155 111 G CA 0.152 45.251 45.100 -0.003 0.000 0.811 111 G HN 0.222 nan 8.290 nan 0.000 0.534 112 S N 0.457 116.159 115.700 0.003 0.000 2.803 112 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 112 S C 1.933 176.540 174.600 0.012 0.000 0.953 112 S CA 0.507 58.711 58.200 0.007 0.000 0.983 112 S CB -0.028 63.174 63.200 0.003 0.000 0.784 112 S HN 0.406 nan 8.310 nan 0.000 0.498 113 T N 1.086 115.646 114.554 0.010 0.000 3.025 113 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 113 T C 1.352 176.062 174.700 0.017 0.000 1.126 113 T CA 1.574 63.682 62.100 0.013 0.000 1.105 113 T CB -0.226 68.646 68.868 0.008 0.000 0.884 113 T HN 0.489 nan 8.240 nan 0.000 0.522 114 D N -0.280 120.130 120.400 0.017 0.000 2.262 114 D HA 0.086 4.726 4.640 -0.000 0.000 0.212 114 D C 2.066 178.389 176.300 0.037 0.000 0.964 114 D CA 0.582 54.594 54.000 0.020 0.000 0.875 114 D CB 0.006 40.814 40.800 0.013 0.000 0.996 114 D HN 0.088 nan 8.370 nan 0.000 0.497 115 K N -0.152 120.271 120.400 0.039 0.000 2.442 115 K HA 0.118 4.438 4.320 -0.000 0.000 0.198 115 K C 1.859 178.514 176.600 0.093 0.000 1.042 115 K CA 0.406 56.729 56.287 0.059 0.000 0.958 115 K CB -0.053 32.471 32.500 0.040 0.000 0.766 115 K HN -0.020 nan 8.250 nan 0.000 0.474 116 S N 0.154 115.902 115.700 0.079 0.000 2.395 116 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 116 S C 1.583 176.273 174.600 0.150 0.000 1.027 116 S CA 0.590 58.858 58.200 0.113 0.000 0.965 116 S CB -0.040 63.204 63.200 0.074 0.000 0.812 116 S HN 0.201 nan 8.310 nan 0.000 0.482 117 L N 1.310 122.589 121.223 0.093 0.000 2.217 117 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 117 L C 1.990 178.913 176.870 0.088 0.000 1.107 117 L CA 0.865 55.748 54.840 0.071 0.000 0.783 117 L CB -0.460 41.618 42.059 0.032 0.000 0.919 117 L HN 0.219 nan 8.230 nan 0.000 0.442 118 D N -0.160 120.304 120.400 0.107 0.000 2.117 118 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 118 D C 1.934 178.316 176.300 0.137 0.000 0.982 118 D CA 1.299 55.361 54.000 0.104 0.000 0.828 118 D CB -0.035 40.827 40.800 0.102 0.000 0.967 118 D HN 0.220 nan 8.370 nan 0.000 0.464 119 F N 1.247 121.230 119.950 0.056 0.000 2.325 119 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 119 F C 2.017 177.896 175.800 0.132 0.000 1.090 119 F CA 0.476 58.519 58.000 0.072 0.000 1.392 119 F CB 0.072 39.105 39.000 0.054 0.000 1.053 119 F HN -0.112 nan 8.300 nan 0.000 0.521 120 L N 0.624 121.979 121.223 0.220 0.000 2.044 120 L HA -0.219 4.121 4.340 -0.000 0.000 0.205 120 L C 2.208 179.167 176.870 0.149 0.000 1.075 120 L CA 1.818 56.775 54.840 0.196 0.000 0.747 120 L CB -1.298 40.818 42.059 0.096 0.000 0.903 120 L HN 0.277 nan 8.230 nan 0.000 0.435 121 N N -0.118 118.629 118.700 0.078 0.000 2.216 121 N HA -0.250 4.490 4.740 -0.000 0.000 0.183 121 N C 1.782 177.327 175.510 0.057 0.000 1.017 121 N CA 1.082 54.174 53.050 0.070 0.000 0.861 121 N CB 0.045 38.555 38.487 0.038 0.000 0.986 121 N HN 0.490 nan 8.380 nan 0.000 0.428 122 Q N -0.014 119.782 119.800 -0.007 0.000 2.291 122 Q HA -0.012 4.328 4.340 -0.000 0.000 0.206 122 Q C 1.183 177.115 176.000 -0.114 0.000 0.976 122 Q CA 1.126 56.888 55.803 -0.067 0.000 0.875 122 Q CB 0.185 28.855 28.738 -0.113 0.000 0.927 122 Q HN 0.286 nan 8.270 nan 0.000 0.450 123 S N -0.829 114.801 115.700 -0.116 0.000 2.492 123 S HA 0.103 4.573 4.470 -0.000 0.000 0.218 123 S C 0.675 175.213 174.600 -0.104 0.000 1.016 123 S CA -0.046 58.070 58.200 -0.140 0.000 0.916 123 S CB 0.189 63.254 63.200 -0.225 0.000 0.791 123 S HN 0.325 nan 8.310 nan 0.000 0.513 124 F N 0.485 120.407 119.950 -0.047 0.000 2.695 124 F HA 0.497 5.024 4.527 -0.000 0.000 0.303 124 F C 1.225 177.017 175.800 -0.014 0.000 1.091 124 F CA 0.019 57.998 58.000 -0.034 0.000 1.300 124 F CB 0.111 39.085 39.000 -0.043 0.000 1.071 124 F HN 0.135 nan 8.300 nan 0.000 0.578 125 I N -2.346 118.289 120.570 0.108 0.000 4.147 125 I HA -0.066 4.104 4.170 -0.000 0.000 0.278 125 I C 2.123 178.258 176.117 0.029 0.000 1.133 125 I CA 0.171 61.512 61.300 0.067 0.000 1.317 125 I CB -0.054 37.985 38.000 0.066 0.000 1.688 125 I HN -0.174 nan 8.210 nan 0.000 0.432 126 Q N 1.747 121.556 119.800 0.016 0.000 2.020 126 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 126 Q C 1.268 177.262 176.000 -0.010 0.000 0.974 126 Q CA 1.672 57.475 55.803 0.000 0.000 0.829 126 Q CB 0.168 28.901 28.738 -0.008 0.000 0.894 126 Q HN 0.496 nan 8.270 nan 0.000 0.433 127 Q N 0.362 120.143 119.800 -0.031 0.000 2.217 127 Q HA 0.040 4.380 4.340 -0.000 0.000 0.226 127 Q C 0.407 176.396 176.000 -0.017 0.000 0.875 127 Q CA -0.155 55.628 55.803 -0.034 0.000 0.974 127 Q CB 0.435 29.131 28.738 -0.069 0.000 1.079 127 Q HN -0.038 nan 8.270 nan 0.000 0.463 128 K N 0.231 120.628 120.400 -0.005 0.000 2.569 128 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 128 K C 0.725 177.363 176.600 0.064 0.000 1.026 128 K CA 0.280 56.581 56.287 0.024 0.000 1.093 128 K CB 0.096 32.605 32.500 0.016 0.000 0.849 128 K HN 0.250 nan 8.250 nan 0.000 0.509 129 A N -1.226 121.615 122.820 0.036 0.000 2.480 129 A HA 0.189 4.509 4.320 -0.000 0.000 0.191 129 A C 1.026 178.617 177.584 0.012 0.000 1.503 129 A CA -0.245 51.805 52.037 0.022 0.000 1.110 129 A CB 0.104 19.110 19.000 0.010 0.000 1.401 129 A HN 0.303 nan 8.150 nan 0.000 0.533 130 N N -0.043 118.664 118.700 0.012 0.000 2.415 130 N HA 0.184 4.924 4.740 -0.000 0.000 0.176 130 N C 1.335 176.857 175.510 0.019 0.000 1.042 130 N CA 0.514 53.569 53.050 0.009 0.000 0.902 130 N CB 0.037 38.524 38.487 0.000 0.000 0.986 130 N HN 0.412 nan 8.380 nan 0.000 0.447 131 L N 0.058 121.302 121.223 0.036 0.000 2.270 131 L HA 0.092 4.432 4.340 -0.000 0.000 0.210 131 L C 0.554 177.459 176.870 0.059 0.000 1.104 131 L CA 0.582 55.459 54.840 0.061 0.000 0.804 131 L CB -0.030 42.095 42.059 0.110 0.000 0.937 131 L HN 0.162 nan 8.230 nan 0.000 0.450 132 L N 0.811 122.050 121.223 0.027 0.000 2.998 132 L HA 0.129 4.469 4.340 -0.000 0.000 0.234 132 L C 0.751 177.593 176.870 -0.046 0.000 1.350 132 L CA -0.448 54.368 54.840 -0.041 0.000 1.202 132 L CB -0.551 41.444 42.059 -0.107 0.000 1.583 132 L HN 0.177 nan 8.230 nan 0.000 0.456 133 S N -2.386 113.320 115.700 0.009 0.000 2.610 133 S HA 0.205 4.675 4.470 -0.000 0.000 0.273 133 S C 1.030 175.652 174.600 0.036 0.000 1.274 133 S CA -0.708 57.497 58.200 0.009 0.000 1.023 133 S CB 1.753 64.965 63.200 0.019 0.000 0.962 133 S HN 0.206 nan 8.310 nan 0.000 0.523 134 S N 1.633 117.344 115.700 0.018 0.000 2.727 134 S HA 0.062 4.532 4.470 -0.000 0.000 0.226 134 S C 0.972 175.611 174.600 0.065 0.000 0.963 134 S CA 0.217 58.445 58.200 0.046 0.000 0.950 134 S CB -0.539 62.669 63.200 0.013 0.000 0.779 134 S HN 0.710 nan 8.310 nan 0.000 0.532 135 S N 0.719 116.454 115.700 0.059 0.000 2.619 135 S HA 0.141 4.611 4.470 -0.000 0.000 0.238 135 S C 1.536 176.164 174.600 0.046 0.000 1.068 135 S CA -0.326 57.900 58.200 0.043 0.000 0.926 135 S CB -0.055 63.161 63.200 0.027 0.000 0.864 135 S HN 0.471 nan 8.310 nan 0.000 0.493 136 N N 1.424 120.163 118.700 0.065 0.000 2.220 136 N HA 0.120 4.860 4.740 -0.000 0.000 0.182 136 N C 1.354 176.909 175.510 0.076 0.000 1.023 136 N CA 0.880 53.966 53.050 0.061 0.000 0.856 136 N CB -0.352 38.174 38.487 0.066 0.000 0.997 136 N HN 0.244 nan 8.380 nan 0.000 0.429 137 F N 1.892 121.812 119.950 -0.049 0.000 2.095 137 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 137 F C 2.139 177.903 175.800 -0.061 0.000 1.104 137 F CA 1.456 59.412 58.000 -0.074 0.000 1.232 137 F CB -0.144 38.800 39.000 -0.094 0.000 0.987 137 F HN 0.046 nan 8.300 nan 0.000 0.475 138 E N 0.384 120.590 120.200 0.010 0.000 2.077 138 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 138 E C 2.386 178.914 176.600 -0.119 0.000 0.989 138 E CA 1.177 57.529 56.400 -0.080 0.000 0.800 138 E CB -0.869 28.841 29.700 0.017 0.000 0.746 138 E HN 0.477 nan 8.360 nan 0.000 0.452 139 A N 0.537 123.314 122.820 -0.071 0.000 2.015 139 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 139 A C 2.350 179.879 177.584 -0.093 0.000 1.163 139 A CA 1.667 53.667 52.037 -0.062 0.000 0.646 139 A CB -0.471 18.513 19.000 -0.027 0.000 0.806 139 A HN 0.189 nan 8.150 nan 0.000 0.448 140 T N -0.765 113.707 114.554 -0.138 0.000 2.894 140 T HA -0.039 4.311 4.350 -0.000 0.000 0.258 140 T C 2.001 176.561 174.700 -0.233 0.000 1.043 140 T CA 1.274 63.280 62.100 -0.156 0.000 1.141 140 T CB -0.095 68.686 68.868 -0.145 0.000 0.873 140 T HN 0.533 nan 8.240 nan 0.000 0.449 141 K N 1.364 121.531 120.400 -0.388 0.000 2.103 141 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 141 K C 2.278 178.747 176.600 -0.217 0.000 1.048 141 K CA 1.355 57.404 56.287 -0.396 0.000 0.930 141 K CB -0.108 32.063 32.500 -0.549 0.000 0.716 141 K HN 0.173 nan 8.250 nan 0.000 0.444 142 K N -0.020 120.280 120.400 -0.168 0.000 2.283 142 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 142 K C 1.782 178.332 176.600 -0.083 0.000 1.048 142 K CA 1.236 57.461 56.287 -0.104 0.000 0.948 142 K CB 0.121 32.574 32.500 -0.078 0.000 0.742 142 K HN 0.034 nan 8.250 nan 0.000 0.458 143 S N 0.031 115.677 115.700 -0.089 0.000 2.406 143 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 143 S C 1.764 176.326 174.600 -0.064 0.000 1.030 143 S CA 0.952 59.114 58.200 -0.063 0.000 0.958 143 S CB 0.280 63.450 63.200 -0.051 0.000 0.811 143 S HN 0.380 nan 8.310 nan 0.000 0.489 144 V N -0.531 119.330 119.914 -0.088 0.000 3.041 144 V HA 0.105 4.225 4.120 -0.000 0.000 0.260 144 V C 1.834 177.882 176.094 -0.077 0.000 1.105 144 V CA 0.906 63.155 62.300 -0.085 0.000 1.125 144 V CB -0.608 31.152 31.823 -0.106 0.000 0.730 144 V HN 0.239 nan 8.190 nan 0.000 0.479 145 L N 0.581 121.757 121.223 -0.078 0.000 2.095 145 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 145 L C 2.601 179.449 176.870 -0.037 0.000 1.080 145 L CA 2.159 56.964 54.840 -0.059 0.000 0.759 145 L CB -0.821 41.199 42.059 -0.064 0.000 0.914 145 L HN 0.374 nan 8.230 nan 0.000 0.439 146 K N -1.078 119.301 120.400 -0.035 0.000 2.288 146 K HA -0.187 4.133 4.320 -0.000 0.000 0.201 146 K C 2.058 178.651 176.600 -0.012 0.000 1.048 146 K CA 0.964 57.239 56.287 -0.021 0.000 0.956 146 K CB 0.158 32.645 32.500 -0.022 0.000 0.746 146 K HN 0.378 nan 8.250 nan 0.000 0.461 147 Q N 0.118 119.905 119.800 -0.021 0.000 2.020 147 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 147 Q C 1.844 177.846 176.000 0.003 0.000 0.974 147 Q CA 1.294 57.087 55.803 -0.016 0.000 0.829 147 Q CB 0.223 28.937 28.738 -0.040 0.000 0.894 147 Q HN 0.133 nan 8.270 nan 0.000 0.433 148 V N 1.184 121.089 119.914 -0.015 0.000 2.626 148 V HA -0.228 3.892 4.120 -0.000 0.000 0.252 148 V C 2.291 178.438 176.094 0.089 0.000 1.067 148 V CA 1.935 64.244 62.300 0.015 0.000 1.081 148 V CB -0.466 31.337 31.823 -0.034 0.000 0.686 148 V HN 0.473 nan 8.190 nan 0.000 0.468 149 Q N -0.313 119.512 119.800 0.043 0.000 2.083 149 Q HA -0.229 4.111 4.340 -0.000 0.000 0.198 149 Q C 2.095 178.116 176.000 0.036 0.000 0.969 149 Q CA 1.735 57.559 55.803 0.035 0.000 0.838 149 Q CB -0.172 28.571 28.738 0.009 0.000 0.900 149 Q HN 0.603 nan 8.270 nan 0.000 0.436 150 D N -0.437 119.985 120.400 0.037 0.000 2.149 150 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 150 D C 1.651 177.964 176.300 0.021 0.000 0.990 150 D CA 0.863 54.873 54.000 0.017 0.000 0.839 150 D CB -0.040 40.772 40.800 0.020 0.000 0.948 150 D HN 0.234 nan 8.370 nan 0.000 0.460 151 F N 2.071 121.969 119.950 -0.087 0.000 2.051 151 F HA -0.181 4.346 4.527 0.000 0.000 0.296 151 F C 2.356 178.081 175.800 -0.125 0.000 1.122 151 F CA 1.481 59.417 58.000 -0.105 0.000 1.201 151 F CB -0.334 38.618 39.000 -0.081 0.000 0.978 151 F HN -0.204 nan 8.300 nan 0.000 0.472 152 E N 0.327 120.476 120.200 -0.085 0.000 2.153 152 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 152 E C 1.671 178.163 176.600 -0.180 0.000 0.988 152 E CA 1.740 58.045 56.400 -0.158 0.000 0.811 152 E CB -0.410 29.304 29.700 0.024 0.000 0.746 152 E HN 0.510 nan 8.360 nan 0.000 0.466 153 D N -1.137 119.179 120.400 -0.141 0.000 2.234 153 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 153 D C 1.093 177.250 176.300 -0.237 0.000 0.962 153 D CA 0.840 54.771 54.000 -0.116 0.000 0.855 153 D CB 0.260 41.024 40.800 -0.059 0.000 0.951 153 D HN 0.156 nan 8.370 nan 0.000 0.500 154 N N -0.879 117.570 118.700 -0.418 0.000 2.325 154 N HA -0.049 4.691 4.740 -0.000 0.000 0.220 154 N C -0.271 174.674 175.510 -0.943 0.000 1.176 154 N CA 0.028 52.697 53.050 -0.635 0.000 0.861 154 N CB 0.736 39.052 38.487 -0.285 0.000 1.230 154 N HN -0.043 nan 8.380 nan 0.000 0.479 155 D N 1.307 121.263 120.400 -0.740 0.000 2.619 155 D HA 0.089 4.729 4.640 -0.000 0.000 0.224 155 D C 0.887 176.723 176.300 -0.774 0.000 1.133 155 D CA -0.171 53.441 54.000 -0.647 0.000 1.017 155 D CB -0.166 40.386 40.800 -0.414 0.000 1.077 155 D HN 0.247 nan 8.370 nan 0.000 0.503 156 H N 1.183 119.859 119.070 -0.657 0.000 2.319 156 H HA -0.081 4.475 4.556 0.000 0.000 0.299 156 H C -0.732 174.205 175.328 -0.651 0.000 1.092 156 H CA 1.458 56.989 56.048 -0.862 0.000 1.302 156 H CB -0.647 28.128 29.762 -1.646 0.000 1.373 156 H HN 0.402 nan 8.280 nan 0.000 0.497 157 P HA -0.129 nan 4.420 nan 0.000 0.216 157 P C 0.750 178.035 177.300 -0.025 0.000 1.153 157 P CA 1.409 64.462 63.100 -0.078 0.000 0.848 157 P CB 0.209 31.959 31.700 0.082 0.000 0.787 158 N N -0.286 118.379 118.700 -0.058 0.000 2.270 158 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 158 N C 2.075 177.622 175.510 0.063 0.000 1.016 158 N CA 0.563 53.657 53.050 0.074 0.000 0.870 158 N CB -0.376 38.257 38.487 0.243 0.000 0.979 158 N HN 0.182 nan 8.380 nan 0.000 0.431 159 R N 1.262 121.602 120.500 -0.267 0.000 2.073 159 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 159 R C 1.950 178.310 176.300 0.101 0.000 1.134 159 R CA 1.103 57.051 56.100 -0.253 0.000 0.952 159 R CB -0.210 29.814 30.300 -0.461 0.000 0.850 159 R HN -0.074 nan 8.270 nan 0.000 0.433 160 V N 1.274 121.211 119.914 0.037 0.000 2.358 160 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 160 V C 2.268 178.455 176.094 0.157 0.000 1.047 160 V CA 1.545 63.908 62.300 0.104 0.000 1.035 160 V CB -0.410 31.463 31.823 0.083 0.000 0.658 160 V HN 0.352 nan 8.190 nan 0.000 0.452 161 L N 0.121 121.424 121.223 0.135 0.000 2.131 161 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 161 L C 2.319 179.343 176.870 0.256 0.000 1.092 161 L CA 2.097 57.020 54.840 0.140 0.000 0.759 161 L CB -0.498 41.614 42.059 0.087 0.000 0.903 161 L HN 0.356 nan 8.230 nan 0.000 0.435 162 E N -1.114 119.239 120.200 0.256 0.000 2.072 162 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 162 E C 2.099 178.802 176.600 0.171 0.000 0.985 162 E CA 1.506 58.046 56.400 0.234 0.000 0.801 162 E CB -0.160 29.653 29.700 0.188 0.000 0.750 162 E HN 0.653 nan 8.360 nan 0.000 0.452 163 H N -0.399 118.752 119.070 0.134 0.000 2.457 163 H HA 0.001 4.557 4.556 0.000 0.000 0.294 163 H C 1.869 177.250 175.328 0.087 0.000 1.064 163 H CA 1.127 57.231 56.048 0.092 0.000 1.330 163 H CB 0.076 29.871 29.762 0.054 0.000 1.395 163 H HN 0.139 nan 8.280 nan 0.000 0.541 164 L N 0.099 121.443 121.223 0.201 0.000 2.046 164 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 164 L C 1.577 178.478 176.870 0.052 0.000 1.077 164 L CA 1.942 56.841 54.840 0.098 0.000 0.747 164 L CB -0.349 41.744 42.059 0.056 0.000 0.896 164 L HN 0.438 nan 8.230 nan 0.000 0.432 165 H N -1.544 117.612 119.070 0.144 0.000 2.389 165 H HA -0.144 4.412 4.556 0.000 0.000 0.299 165 H C 2.561 177.988 175.328 0.166 0.000 1.081 165 H CA 1.649 57.828 56.048 0.220 0.000 1.345 165 H CB 0.034 29.910 29.762 0.190 0.000 1.393 165 H HN 0.297 nan 8.280 nan 0.000 0.520 166 S N -0.845 114.978 115.700 0.206 0.000 2.359 166 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 166 S C 2.351 176.992 174.600 0.069 0.000 1.035 166 S CA 1.970 60.232 58.200 0.103 0.000 1.018 166 S CB -0.477 62.741 63.200 0.029 0.000 0.876 166 S HN 0.523 nan 8.310 nan 0.000 0.448 167 T N 0.324 114.903 114.554 0.043 0.000 2.937 167 T HA 0.277 4.627 4.350 -0.000 0.000 0.260 167 T C 1.855 176.460 174.700 -0.158 0.000 1.051 167 T CA 1.227 63.308 62.100 -0.031 0.000 1.141 167 T CB -0.597 68.261 68.868 -0.017 0.000 0.879 167 T HN 0.447 nan 8.240 nan 0.000 0.459 168 A N 0.150 122.825 122.820 -0.242 0.000 1.933 168 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 168 A C 1.366 178.530 177.584 -0.701 0.000 1.175 168 A CA 1.150 52.804 52.037 -0.638 0.000 0.628 168 A CB -0.641 17.975 19.000 -0.640 0.000 0.814 168 A HN 0.632 nan 8.150 nan 0.000 0.444 169 F N 0.562 120.480 119.950 -0.053 0.000 2.791 169 F HA 0.168 4.695 4.527 0.000 0.000 0.308 169 F C 0.711 176.499 175.800 -0.019 0.000 1.138 169 F CA -0.693 57.304 58.000 -0.004 0.000 1.294 169 F CB 0.112 39.150 39.000 0.062 0.000 0.975 169 F HN 0.326 nan 8.300 nan 0.000 0.512 170 Q N 0.472 120.314 119.800 0.069 0.000 2.326 170 Q HA -0.123 4.217 4.340 -0.000 0.000 0.314 170 Q C 0.089 176.117 176.000 0.047 0.000 1.091 170 Q CA 0.547 56.373 55.803 0.039 0.000 0.974 170 Q CB -0.108 28.624 28.738 -0.010 0.000 1.220 170 Q HN 0.585 nan 8.270 nan 0.000 0.398 171 N N 0.544 119.262 118.700 0.031 0.000 2.721 171 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 171 N C -1.170 174.366 175.510 0.043 0.000 1.072 171 N CA 0.823 53.889 53.050 0.027 0.000 0.710 171 N CB -0.724 37.777 38.487 0.024 0.000 0.993 171 N HN 0.728 nan 8.380 nan 0.000 0.547 172 T N -1.632 112.954 114.554 0.053 0.000 2.868 172 T HA 0.291 4.641 4.350 -0.000 0.000 0.306 172 T C -1.899 172.808 174.700 0.013 0.000 1.224 172 T CA -1.151 60.982 62.100 0.055 0.000 1.012 172 T CB 2.235 71.176 68.868 0.120 0.000 1.221 172 T HN -0.333 nan 8.240 nan 0.000 0.499 173 P HA -0.087 nan 4.420 nan 0.000 0.216 173 P C 1.441 178.660 177.300 -0.135 0.000 1.157 173 P CA 0.750 63.808 63.100 -0.071 0.000 0.880 173 P CB 0.141 31.799 31.700 -0.070 0.000 0.791 174 L N -0.522 120.565 121.223 -0.225 0.000 2.549 174 L HA -0.062 4.278 4.340 -0.000 0.000 0.229 174 L C 2.118 178.934 176.870 -0.089 0.000 1.158 174 L CA 1.840 56.471 54.840 -0.349 0.000 0.842 174 L CB -2.034 39.498 42.059 -0.878 0.000 0.952 174 L HN 0.118 nan 8.230 nan 0.000 0.452 175 S N -1.698 114.018 115.700 0.027 0.000 2.436 175 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 175 S C 0.988 175.578 174.600 -0.016 0.000 1.014 175 S CA -0.159 58.091 58.200 0.083 0.000 0.950 175 S CB -0.174 63.077 63.200 0.084 0.000 0.784 175 S HN 0.115 nan 8.310 nan 0.000 0.504 176 L N 4.159 125.336 121.223 -0.076 0.000 2.462 176 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 176 L C -2.158 174.627 176.870 -0.143 0.000 1.166 176 L CA -1.790 52.982 54.840 -0.112 0.000 0.880 176 L CB -0.518 41.468 42.059 -0.121 0.000 1.142 176 L HN 0.194 nan 8.230 nan 0.000 0.473 177 P HA 0.107 nan 4.420 nan 0.000 0.275 177 P C 0.792 177.982 177.300 -0.183 0.000 1.227 177 P CA -0.290 62.715 63.100 -0.158 0.000 0.781 177 P CB 0.661 32.279 31.700 -0.136 0.000 0.906 178 T N 1.670 116.097 114.554 -0.212 0.000 2.759 178 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 178 T C 1.446 176.018 174.700 -0.214 0.000 1.042 178 T CA 1.175 63.144 62.100 -0.219 0.000 1.140 178 T CB -0.533 68.195 68.868 -0.234 0.000 0.864 178 T HN 0.309 nan 8.240 nan 0.000 0.455 179 R N 1.468 121.818 120.500 -0.250 0.000 2.299 179 R HA 0.485 4.825 4.340 -0.000 0.000 0.197 179 R C 1.485 177.677 176.300 -0.180 0.000 0.971 179 R CA 0.487 56.439 56.100 -0.246 0.000 1.030 179 R CB -0.607 29.468 30.300 -0.375 0.000 0.932 179 R HN 0.695 nan 8.270 nan 0.000 0.477 180 G N 0.160 108.863 108.800 -0.163 0.000 2.814 180 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.677 180 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.677 180 G C -0.215 174.623 174.900 -0.103 0.000 1.429 180 G CA -0.349 44.671 45.100 -0.133 0.000 0.868 180 G HN 0.291 nan 8.290 nan 0.000 0.553 181 T N -1.067 113.434 114.554 -0.088 0.000 2.902 181 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 181 T C 1.910 176.584 174.700 -0.042 0.000 1.009 181 T CA -0.114 61.952 62.100 -0.058 0.000 1.051 181 T CB 1.541 70.371 68.868 -0.063 0.000 0.999 181 T HN 0.859 nan 8.240 nan 0.000 0.474 182 L N 0.962 122.172 121.223 -0.021 0.000 2.081 182 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 182 L C 2.743 179.604 176.870 -0.015 0.000 1.080 182 L CA 1.790 56.620 54.840 -0.017 0.000 0.754 182 L CB -0.490 41.568 42.059 -0.002 0.000 0.893 182 L HN 0.798 nan 8.230 nan 0.000 0.433 183 E N -0.584 119.611 120.200 -0.008 0.000 2.107 183 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 183 E C 2.226 178.833 176.600 0.013 0.000 0.982 183 E CA 1.383 57.787 56.400 0.007 0.000 0.809 183 E CB -0.019 29.692 29.700 0.018 0.000 0.756 183 E HN 0.506 nan 8.360 nan 0.000 0.459 184 S N -0.071 115.625 115.700 -0.006 0.000 2.446 184 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 184 S C 1.813 176.405 174.600 -0.013 0.000 1.016 184 S CA 0.226 58.427 58.200 0.002 0.000 0.943 184 S CB -0.040 63.137 63.200 -0.038 0.000 0.786 184 S HN 0.016 nan 8.310 nan 0.000 0.508 185 L N 2.926 124.128 121.223 -0.035 0.000 2.023 185 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 185 L C 2.771 179.615 176.870 -0.044 0.000 1.073 185 L CA 2.060 56.868 54.840 -0.053 0.000 0.745 185 L CB -0.881 41.136 42.059 -0.070 0.000 0.900 185 L HN 0.594 nan 8.230 nan 0.000 0.435 186 E N -1.278 118.904 120.200 -0.032 0.000 2.409 186 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 186 E C 1.327 177.926 176.600 -0.002 0.000 1.024 186 E CA 1.030 57.415 56.400 -0.026 0.000 0.861 186 E CB -0.515 29.173 29.700 -0.020 0.000 0.788 186 E HN 0.545 nan 8.360 nan 0.000 0.521 187 N N 0.456 119.163 118.700 0.012 0.000 2.214 187 N HA 0.050 4.790 4.740 -0.000 0.000 0.214 187 N C -0.584 174.949 175.510 0.038 0.000 1.132 187 N CA -0.307 52.759 53.050 0.027 0.000 0.856 187 N CB 0.380 38.889 38.487 0.036 0.000 1.020 187 N HN 0.063 nan 8.380 nan 0.000 0.509 188 L N 1.752 123.001 121.223 0.043 0.000 2.334 188 L HA 0.367 4.707 4.340 -0.000 0.000 0.277 188 L C -0.028 176.936 176.870 0.158 0.000 1.075 188 L CA -0.433 54.450 54.840 0.070 0.000 0.804 188 L CB 1.556 43.644 42.059 0.047 0.000 1.174 188 L HN -0.048 nan 8.230 nan 0.000 0.438 189 V N 1.723 121.694 119.914 0.096 0.000 3.126 189 V HA 0.472 4.592 4.120 -0.000 0.000 0.314 189 V C 0.842 176.761 176.094 -0.292 0.000 1.138 189 V CA -0.737 61.561 62.300 -0.003 0.000 1.034 189 V CB 1.407 33.197 31.823 -0.056 0.000 1.075 189 V HN 0.477 nan 8.190 nan 0.000 0.442 190 V N 1.113 120.590 119.914 -0.728 0.000 2.380 190 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 190 V C 2.928 178.793 176.094 -0.381 0.000 1.063 190 V CA 2.997 64.803 62.300 -0.824 0.000 1.055 190 V CB -1.435 29.959 31.823 -0.715 0.000 0.657 190 V HN 1.179 nan 8.190 nan 0.000 0.455 191 A N -0.395 122.283 122.820 -0.237 0.000 1.972 191 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 191 A C 2.029 179.571 177.584 -0.070 0.000 1.169 191 A CA 1.834 53.797 52.037 -0.123 0.000 0.635 191 A CB -0.485 18.463 19.000 -0.086 0.000 0.810 191 A HN 0.575 nan 8.150 nan 0.000 0.446 192 D N 0.056 120.412 120.400 -0.072 0.000 2.144 192 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 192 D C 1.960 178.273 176.300 0.022 0.000 0.978 192 D CA 0.760 54.754 54.000 -0.010 0.000 0.833 192 D CB -0.171 40.623 40.800 -0.010 0.000 0.961 192 D HN 0.275 nan 8.370 nan 0.000 0.470 193 L N 1.333 122.502 121.223 -0.089 0.000 1.994 193 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 193 L C 2.339 179.362 176.870 0.256 0.000 1.071 193 L CA 1.566 56.337 54.840 -0.115 0.000 0.745 193 L CB -1.067 40.606 42.059 -0.642 0.000 0.892 193 L HN 0.100 nan 8.230 nan 0.000 0.431 194 E N -0.185 120.081 120.200 0.110 0.000 2.058 194 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 194 E C 2.230 178.882 176.600 0.086 0.000 0.997 194 E CA 1.643 58.122 56.400 0.131 0.000 0.801 194 E CB -0.085 29.632 29.700 0.028 0.000 0.746 194 E HN 0.388 nan 8.360 nan 0.000 0.450 195 S N 0.671 116.412 115.700 0.068 0.000 2.370 195 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 195 S C 1.667 176.307 174.600 0.066 0.000 1.033 195 S CA 1.133 59.362 58.200 0.048 0.000 1.011 195 S CB -0.352 62.882 63.200 0.058 0.000 0.852 195 S HN 0.275 nan 8.310 nan 0.000 0.457 196 F N 2.244 122.198 119.950 0.007 0.000 2.113 196 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 196 F C 2.418 178.096 175.800 -0.203 0.000 1.103 196 F CA 1.004 59.021 58.000 0.029 0.000 1.248 196 F CB -0.588 38.467 39.000 0.092 0.000 0.999 196 F HN 0.179 nan 8.300 nan 0.000 0.475 197 A N 0.389 123.072 122.820 -0.228 0.000 1.940 197 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 197 A C 1.769 179.096 177.584 -0.428 0.000 1.176 197 A CA 1.991 53.567 52.037 -0.769 0.000 0.631 197 A CB -0.870 17.862 19.000 -0.447 0.000 0.814 197 A HN 0.528 nan 8.150 nan 0.000 0.446 198 N N -0.379 118.184 118.700 -0.229 0.000 2.461 198 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 198 N C 0.591 175.959 175.510 -0.236 0.000 1.134 198 N CA 0.851 53.801 53.050 -0.168 0.000 0.878 198 N CB -0.180 38.252 38.487 -0.092 0.000 0.972 198 N HN 0.644 nan 8.380 nan 0.000 0.456 199 N N -1.265 117.194 118.700 -0.400 0.000 2.317 199 N HA 0.120 4.860 4.740 -0.000 0.000 0.199 199 N C 0.806 175.791 175.510 -0.875 0.000 1.145 199 N CA 0.167 52.863 53.050 -0.590 0.000 0.882 199 N CB 0.517 38.603 38.487 -0.668 0.000 1.113 199 N HN 0.226 nan 8.380 nan 0.000 0.486 200 H N -1.466 117.320 119.070 -0.474 0.000 2.926 200 H HA 0.222 4.778 4.556 0.000 0.000 0.249 200 H C 0.183 175.389 175.328 -0.203 0.000 0.963 200 H CA -0.032 55.772 56.048 -0.406 0.000 1.158 200 H CB 0.220 29.529 29.762 -0.755 0.000 1.445 200 H HN 0.136 nan 8.280 nan 0.000 0.452 201 F N 2.565 122.194 119.950 -0.535 0.000 2.726 201 F HA 0.108 4.635 4.527 -0.000 0.000 0.296 201 F C 0.617 176.292 175.800 -0.207 0.000 1.250 201 F CA -0.307 57.222 58.000 -0.785 0.000 1.434 201 F CB -0.183 38.343 39.000 -0.790 0.000 1.043 201 F HN -0.139 nan 8.300 nan 0.000 0.508 202 L N -0.449 120.822 121.223 0.080 0.000 2.479 202 L HA 0.087 4.427 4.340 -0.000 0.000 0.248 202 L C 1.462 178.429 176.870 0.161 0.000 1.205 202 L CA -0.208 54.685 54.840 0.088 0.000 0.817 202 L CB 0.263 42.333 42.059 0.018 0.000 1.162 202 L HN 0.019 nan 8.230 nan 0.000 0.486 203 N N -0.266 118.491 118.700 0.095 0.000 2.207 203 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 203 N C 1.711 177.258 175.510 0.061 0.000 1.020 203 N CA 1.359 54.454 53.050 0.074 0.000 0.858 203 N CB 0.087 38.598 38.487 0.039 0.000 0.991 203 N HN 0.645 nan 8.380 nan 0.000 0.427 204 S N -1.429 114.301 115.700 0.051 0.000 2.547 204 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 204 S C 0.984 175.621 174.600 0.063 0.000 0.980 204 S CA 0.567 58.792 58.200 0.042 0.000 0.941 204 S CB -0.367 62.850 63.200 0.028 0.000 0.763 204 S HN 0.371 nan 8.310 nan 0.000 0.532 205 N N 1.081 119.844 118.700 0.105 0.000 2.535 205 N HA 0.578 5.318 4.740 -0.000 0.000 0.294 205 N C -0.654 174.998 175.510 0.237 0.000 1.408 205 N CA 0.049 53.192 53.050 0.155 0.000 0.927 205 N CB 0.780 39.367 38.487 0.166 0.000 1.276 205 N HN 0.495 nan 8.380 nan 0.000 0.505 206 A N -0.677 122.216 122.820 0.122 0.000 2.594 206 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 206 A C -1.572 175.956 177.584 -0.093 0.000 1.105 206 A CA -0.546 51.490 52.037 -0.000 0.000 0.694 206 A CB 1.641 20.629 19.000 -0.019 0.000 1.291 206 A HN 0.022 nan 8.150 nan 0.000 0.410 207 V N 0.555 120.347 119.914 -0.203 0.000 2.752 207 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 207 V C -0.738 175.216 176.094 -0.233 0.000 1.133 207 V CA -0.579 61.619 62.300 -0.171 0.000 0.919 207 V CB 1.601 33.339 31.823 -0.141 0.000 1.026 207 V HN 1.238 nan 8.190 nan 0.000 0.429 208 V N 6.980 126.784 119.914 -0.182 0.000 2.432 208 V HA 0.706 4.826 4.120 -0.000 0.000 0.275 208 V C -0.453 175.562 176.094 -0.133 0.000 1.043 208 V CA 0.251 62.441 62.300 -0.183 0.000 0.925 208 V CB 1.612 33.348 31.823 -0.145 0.000 0.985 208 V HN 0.643 nan 8.190 nan 0.000 0.466 209 V N 5.792 125.622 119.914 -0.140 0.000 2.628 209 V HA 0.899 5.019 4.120 -0.000 0.000 0.306 209 V C 0.529 176.580 176.094 -0.072 0.000 1.045 209 V CA 0.021 62.256 62.300 -0.108 0.000 0.905 209 V CB 1.812 33.553 31.823 -0.137 0.000 0.997 209 V HN 1.094 nan 8.190 nan 0.000 0.436 210 G N 1.515 110.288 108.800 -0.046 0.000 2.732 210 G HA2 0.691 4.651 3.960 -0.000 0.000 0.295 210 G HA3 0.691 4.651 3.960 -0.000 0.000 0.295 210 G C -0.647 174.246 174.900 -0.011 0.000 1.456 210 G CA -0.182 44.907 45.100 -0.019 0.000 1.050 210 G HN 0.869 nan 8.290 nan 0.000 0.525 211 T N -0.959 113.591 114.554 -0.008 0.000 2.901 211 T HA 0.924 5.274 4.350 -0.000 0.000 0.293 211 T C 0.686 175.395 174.700 0.015 0.000 1.084 211 T CA 0.262 62.361 62.100 -0.002 0.000 1.008 211 T CB 2.224 71.078 68.868 -0.024 0.000 1.170 211 T HN 2.186 nan 8.240 nan 0.000 0.509 212 G N 1.869 110.684 108.800 0.025 0.000 1.742 212 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.185 212 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.185 212 G C 0.186 175.116 174.900 0.050 0.000 1.174 212 G CA 0.648 45.769 45.100 0.035 0.000 1.276 212 G HN 1.340 nan 8.290 nan 0.000 0.424 213 N N 0.442 119.176 118.700 0.056 0.000 2.028 213 N HA 0.158 4.898 4.740 -0.000 0.000 0.230 213 N C 0.924 176.479 175.510 0.074 0.000 1.354 213 N CA 0.827 53.919 53.050 0.071 0.000 0.855 213 N CB 0.337 38.852 38.487 0.047 0.000 1.111 213 N HN 1.146 nan 8.380 nan 0.000 0.480 214 I N 0.951 121.550 120.570 0.049 0.000 2.815 214 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 214 I C 0.381 176.502 176.117 0.007 0.000 1.209 214 I CA -0.562 60.752 61.300 0.022 0.000 1.431 214 I CB 0.243 38.252 38.000 0.014 0.000 1.351 214 I HN -0.106 nan 8.210 nan 0.000 0.585 215 K N 2.851 123.218 120.400 -0.055 0.000 2.168 215 K HA 0.085 4.405 4.320 -0.000 0.000 0.258 215 K C 0.757 177.321 176.600 -0.059 0.000 1.010 215 K CA -0.412 55.783 56.287 -0.152 0.000 0.929 215 K CB 0.448 32.852 32.500 -0.161 0.000 0.998 215 K HN 0.715 nan 8.250 nan 0.000 0.479 216 H N 2.005 120.960 119.070 -0.191 0.000 2.326 216 H HA -0.084 4.472 4.556 0.000 0.000 0.301 216 H C 0.931 176.209 175.328 -0.084 0.000 1.081 216 H CA 1.976 57.961 56.048 -0.105 0.000 1.334 216 H CB 0.343 30.051 29.762 -0.090 0.000 1.385 216 H HN 0.666 nan 8.280 nan 0.000 0.504 217 E N -0.277 119.810 120.200 -0.187 0.000 2.204 217 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 217 E C 1.796 178.305 176.600 -0.151 0.000 0.989 217 E CA 0.859 57.127 56.400 -0.220 0.000 0.824 217 E CB 0.048 29.665 29.700 -0.137 0.000 0.756 217 E HN 0.610 nan 8.360 nan 0.000 0.477 218 D N 0.764 121.100 120.400 -0.106 0.000 2.117 218 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 218 D C 2.052 178.313 176.300 -0.065 0.000 0.982 218 D CA 0.702 54.659 54.000 -0.072 0.000 0.828 218 D CB 0.230 40.998 40.800 -0.053 0.000 0.967 218 D HN 0.109 nan 8.370 nan 0.000 0.464 219 L N 0.686 121.873 121.223 -0.060 0.000 2.068 219 L HA -0.050 4.290 4.340 -0.000 0.000 0.204 219 L C 2.467 179.296 176.870 -0.068 0.000 1.076 219 L CA 1.048 55.863 54.840 -0.042 0.000 0.753 219 L CB -0.822 41.235 42.059 -0.002 0.000 0.910 219 L HN -0.082 nan 8.230 nan 0.000 0.439 220 V N 0.365 120.201 119.914 -0.130 0.000 2.546 220 V HA -0.301 3.819 4.120 -0.000 0.000 0.254 220 V C 2.277 178.306 176.094 -0.108 0.000 1.076 220 V CA 2.143 64.354 62.300 -0.147 0.000 1.087 220 V CB -0.620 31.026 31.823 -0.295 0.000 0.674 220 V HN 0.610 nan 8.190 nan 0.000 0.470 221 N N 0.170 118.809 118.700 -0.102 0.000 2.106 221 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 221 N C 1.975 177.455 175.510 -0.050 0.000 1.029 221 N CA 1.791 54.797 53.050 -0.072 0.000 0.848 221 N CB -0.521 37.926 38.487 -0.067 0.000 1.007 221 N HN 0.461 nan 8.380 nan 0.000 0.423 222 S N 0.603 116.277 115.700 -0.043 0.000 2.447 222 S HA 0.088 4.558 4.470 -0.000 0.000 0.233 222 S C 1.952 176.536 174.600 -0.026 0.000 1.006 222 S CA 0.468 58.651 58.200 -0.028 0.000 0.957 222 S CB 0.021 63.209 63.200 -0.020 0.000 0.773 222 S HN 0.279 nan 8.310 nan 0.000 0.507 223 I N 0.688 121.237 120.570 -0.035 0.000 2.429 223 I HA 0.003 4.173 4.170 -0.000 0.000 0.247 223 I C 2.433 178.531 176.117 -0.032 0.000 1.099 223 I CA 0.811 62.091 61.300 -0.034 0.000 1.422 223 I CB -0.135 37.841 38.000 -0.040 0.000 1.112 223 I HN 0.210 nan 8.210 nan 0.000 0.430 224 E N 0.402 120.579 120.200 -0.039 0.000 2.418 224 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 224 E C 2.108 178.692 176.600 -0.027 0.000 1.026 224 E CA 0.618 56.998 56.400 -0.034 0.000 0.862 224 E CB 0.196 29.870 29.700 -0.043 0.000 0.799 224 E HN 0.303 nan 8.360 nan 0.000 0.518 225 S N 0.486 116.171 115.700 -0.025 0.000 2.329 225 S HA -0.064 4.406 4.470 -0.000 0.000 0.215 225 S C 0.526 175.118 174.600 -0.013 0.000 1.031 225 S CA 0.629 58.817 58.200 -0.019 0.000 0.985 225 S CB 0.006 63.195 63.200 -0.018 0.000 0.917 225 S HN 0.061 nan 8.310 nan 0.000 0.441 226 K N 2.928 123.322 120.400 -0.011 0.000 2.363 226 K HA 0.144 4.464 4.320 -0.000 0.000 0.289 226 K C 0.473 177.068 176.600 -0.007 0.000 1.063 226 K CA -0.180 56.103 56.287 -0.006 0.000 0.967 226 K CB 0.317 32.816 32.500 -0.003 0.000 0.987 226 K HN 0.381 nan 8.250 nan 0.000 0.473 227 N N 1.924 120.621 118.700 -0.005 0.000 2.284 227 N HA 0.121 4.861 4.740 -0.000 0.000 0.266 227 N C -0.322 175.187 175.510 -0.001 0.000 1.321 227 N CA -0.372 52.675 53.050 -0.005 0.000 0.933 227 N CB 0.161 38.646 38.487 -0.004 0.000 1.067 227 N HN 0.289 nan 8.380 nan 0.000 0.447 228 L N 0.060 121.283 121.223 0.000 0.000 2.619 228 L HA -0.199 4.141 4.340 -0.000 0.000 0.533 228 L C 0.432 177.305 176.870 0.005 0.000 1.002 228 L CA 0.393 55.235 54.840 0.004 0.000 1.266 228 L CB -1.061 41.002 42.059 0.007 0.000 1.549 228 L HN 0.501 nan 8.230 nan 0.000 0.778 229 S N 4.670 120.374 115.700 0.006 0.000 2.356 229 S HA 0.248 4.718 4.470 -0.000 0.000 0.219 229 S C 0.575 175.184 174.600 0.015 0.000 1.036 229 S CA 0.518 58.722 58.200 0.008 0.000 0.965 229 S CB -0.054 63.149 63.200 0.006 0.000 0.864 229 S HN 1.112 nan 8.310 nan 0.000 0.471 230 L N 2.135 123.367 121.223 0.015 0.000 3.052 230 L HA -0.198 4.143 4.340 -0.000 0.000 0.652 230 L C -0.714 176.169 176.870 0.022 0.000 1.019 230 L CA 0.560 55.413 54.840 0.021 0.000 1.317 230 L CB -1.681 40.397 42.059 0.033 0.000 1.728 230 L HN 0.717 nan 8.230 nan 0.000 0.839 231 Q N 1.297 121.105 119.800 0.013 0.000 2.459 231 Q HA -0.181 4.159 4.340 -0.000 0.000 0.314 231 Q C 0.353 176.357 176.000 0.007 0.000 1.432 231 Q CA 1.333 57.139 55.803 0.006 0.000 0.823 231 Q CB -0.854 27.887 28.738 0.005 0.000 1.124 231 Q HN 0.785 nan 8.270 nan 0.000 0.392 232 T N -2.276 112.282 114.554 0.006 0.000 2.922 232 T HA 0.542 4.892 4.350 -0.000 0.000 0.285 232 T C 1.332 176.033 174.700 0.001 0.000 1.005 232 T CA 1.132 63.235 62.100 0.006 0.000 1.061 232 T CB 1.286 70.157 68.868 0.005 0.000 1.007 232 T HN 0.889 nan 8.240 nan 0.000 0.502 233 G N 2.677 111.478 108.800 0.001 0.000 2.234 233 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 233 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 233 G C 0.337 175.233 174.900 -0.007 0.000 0.987 233 G CA 0.445 45.544 45.100 -0.002 0.000 0.625 233 G HN 0.978 nan 8.290 nan 0.000 0.532 234 T N 1.919 116.466 114.554 -0.011 0.000 2.869 234 T HA 0.537 4.887 4.350 -0.000 0.000 0.295 234 T C 0.239 174.923 174.700 -0.026 0.000 0.987 234 T CA 0.204 62.289 62.100 -0.024 0.000 1.109 234 T CB 1.577 70.424 68.868 -0.035 0.000 0.932 234 T HN 0.409 nan 8.240 nan 0.000 0.518 235 K N 3.245 123.625 120.400 -0.034 0.000 2.259 235 K HA 0.490 4.810 4.320 -0.000 0.000 0.249 235 K C -2.340 174.220 176.600 -0.066 0.000 0.942 235 K CA -2.073 54.195 56.287 -0.031 0.000 0.816 235 K CB 1.385 33.878 32.500 -0.013 0.000 1.155 235 K HN 0.394 nan 8.250 nan 0.000 0.428 236 P HA 0.063 nan 4.420 nan 0.000 0.274 236 P C -0.266 176.995 177.300 -0.065 0.000 1.237 236 P CA -0.459 62.560 63.100 -0.135 0.000 0.793 236 P CB 0.608 32.291 31.700 -0.029 0.000 0.977 237 V N 1.936 121.801 119.914 -0.081 0.000 2.963 237 V HA 0.015 4.135 4.120 -0.000 0.000 0.306 237 V C 1.193 177.318 176.094 0.052 0.000 1.077 237 V CA -0.197 62.100 62.300 -0.005 0.000 1.124 237 V CB -0.069 31.756 31.823 0.004 0.000 0.987 237 V HN 0.384 nan 8.190 nan 0.000 0.487 238 L N 2.939 124.187 121.223 0.043 0.000 2.472 238 L HA 0.667 5.007 4.340 -0.000 0.000 0.256 238 L C 0.134 177.037 176.870 0.055 0.000 1.111 238 L CA -0.353 54.517 54.840 0.050 0.000 0.800 238 L CB 1.342 43.423 42.059 0.037 0.000 1.286 238 L HN 0.976 nan 8.230 nan 0.000 0.479 239 K N -0.406 120.024 120.400 0.050 0.000 1.874 239 K HA 0.466 4.786 4.320 -0.000 0.000 0.255 239 K C -1.096 175.530 176.600 0.043 0.000 0.748 239 K CA -0.755 55.561 56.287 0.048 0.000 0.571 239 K CB 0.777 33.307 32.500 0.050 0.000 1.921 239 K HN 0.218 nan 8.250 nan 0.000 0.615 240 K N 0.879 121.304 120.400 0.041 0.000 2.259 240 K HA 0.363 4.683 4.320 -0.000 0.000 0.252 240 K C -1.066 175.560 176.600 0.043 0.000 0.936 240 K CA -0.830 55.483 56.287 0.043 0.000 0.810 240 K CB 1.010 33.536 32.500 0.043 0.000 1.143 240 K HN 0.523 nan 8.250 nan 0.000 0.427 241 K N 1.434 121.864 120.400 0.050 0.000 2.448 241 K HA 0.173 4.493 4.320 -0.000 0.000 0.278 241 K C -0.190 176.449 176.600 0.065 0.000 1.009 241 K CA -0.235 56.085 56.287 0.056 0.000 0.995 241 K CB 0.361 32.901 32.500 0.066 0.000 0.917 241 K HN 0.544 nan 8.250 nan 0.000 0.481 242 A N 1.792 124.643 122.820 0.051 0.000 2.462 242 A HA 0.518 4.838 4.320 -0.000 0.000 0.243 242 A C -0.119 177.571 177.584 0.175 0.000 1.076 242 A CA 0.133 52.205 52.037 0.058 0.000 0.773 242 A CB -0.066 18.881 19.000 -0.087 0.000 1.010 242 A HN 0.880 nan 8.150 nan 0.000 0.493 243 A N 1.434 124.428 122.820 0.289 0.000 2.486 243 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 243 A C -0.856 177.014 177.584 0.478 0.000 1.048 243 A CA -0.488 51.759 52.037 0.350 0.000 0.696 243 A CB 0.758 19.886 19.000 0.212 0.000 1.278 243 A HN 1.241 nan 8.150 nan 0.000 0.405 244 F N 2.141 122.257 119.950 0.277 0.000 2.427 244 F HA 0.621 5.148 4.527 -0.000 0.000 0.352 244 F C -0.528 175.288 175.800 0.026 0.000 1.100 244 F CA -0.467 57.565 58.000 0.053 0.000 1.191 244 F CB 1.022 40.039 39.000 0.029 0.000 1.128 244 F HN 0.474 nan 8.300 nan 0.000 0.533 245 L N 6.404 127.244 121.223 -0.638 0.000 2.404 245 L HA 0.561 4.901 4.340 -0.000 0.000 0.272 245 L C -0.149 176.352 176.870 -0.616 0.000 0.980 245 L CA -0.325 54.283 54.840 -0.385 0.000 0.836 245 L CB 1.387 43.319 42.059 -0.212 0.000 1.238 245 L HN 0.703 nan 8.230 nan 0.000 0.408 246 G N 3.436 112.086 108.800 -0.251 0.000 2.298 246 G HA2 0.441 4.401 3.960 -0.000 0.000 0.263 246 G HA3 0.441 4.401 3.960 -0.000 0.000 0.263 246 G C -0.175 174.624 174.900 -0.168 0.000 1.229 246 G CA 0.727 45.801 45.100 -0.044 0.000 0.976 246 G HN 1.017 nan 8.290 nan 0.000 0.459 247 S N 1.201 116.815 115.700 -0.143 0.000 2.694 247 S HA 0.749 5.219 4.470 -0.000 0.000 0.273 247 S C -0.992 173.586 174.600 -0.037 0.000 1.180 247 S CA -0.656 57.406 58.200 -0.230 0.000 0.864 247 S CB 1.817 64.888 63.200 -0.214 0.000 1.198 247 S HN 1.084 nan 8.310 nan 0.000 0.499 248 E N -0.995 119.175 120.200 -0.051 0.000 2.407 248 E HA 0.721 5.071 4.350 -0.000 0.000 0.279 248 E C -1.930 174.676 176.600 0.011 0.000 1.012 248 E CA -1.212 55.214 56.400 0.043 0.000 0.800 248 E CB 2.026 31.806 29.700 0.134 0.000 1.276 248 E HN 0.907 nan 8.360 nan 0.000 0.452 249 V N 1.487 121.418 119.914 0.027 0.000 2.569 249 V HA 0.558 4.678 4.120 -0.000 0.000 0.301 249 V C -1.567 174.522 176.094 -0.009 0.000 1.044 249 V CA -0.505 61.800 62.300 0.009 0.000 0.874 249 V CB 1.530 33.374 31.823 0.035 0.000 1.002 249 V HN 0.709 nan 8.190 nan 0.000 0.424 250 R N 6.460 126.948 120.500 -0.021 0.000 2.288 250 R HA 0.543 4.883 4.340 -0.000 0.000 0.326 250 R C -0.810 175.458 176.300 -0.052 0.000 0.959 250 R CA -0.504 55.581 56.100 -0.025 0.000 0.834 250 R CB 1.583 31.880 30.300 -0.004 0.000 1.157 250 R HN 0.691 nan 8.270 nan 0.000 0.470 251 L N 3.136 124.311 121.223 -0.080 0.000 2.865 251 L HA 0.306 4.646 4.340 -0.000 0.000 0.233 251 L C 0.738 177.576 176.870 -0.054 0.000 1.320 251 L CA -0.287 54.492 54.840 -0.101 0.000 1.225 251 L CB -0.213 41.731 42.059 -0.192 0.000 1.542 251 L HN 0.318 nan 8.230 nan 0.000 0.432 252 R N 1.696 122.177 120.500 -0.032 0.000 2.583 252 R HA -0.002 4.338 4.340 -0.000 0.000 0.274 252 R C -0.671 175.618 176.300 -0.017 0.000 0.998 252 R CA 0.713 56.803 56.100 -0.016 0.000 1.081 252 R CB 0.401 30.694 30.300 -0.013 0.000 0.940 252 R HN 0.269 nan 8.270 nan 0.000 0.413 253 D N 2.742 123.137 120.400 -0.008 0.000 2.319 253 D HA 0.087 4.727 4.640 -0.000 0.000 0.237 253 D C -0.625 175.675 176.300 0.001 0.000 1.353 253 D CA -0.476 53.518 54.000 -0.009 0.000 0.992 253 D CB 0.895 41.681 40.800 -0.024 0.000 1.368 253 D HN 0.391 nan 8.370 nan 0.000 0.564 254 D N 1.104 121.504 120.400 -0.001 0.000 2.371 254 D HA -0.071 4.569 4.640 -0.000 0.000 0.221 254 D C 1.895 178.199 176.300 0.005 0.000 0.986 254 D CA 0.897 54.897 54.000 0.000 0.000 0.899 254 D CB 0.216 41.015 40.800 -0.003 0.000 0.902 254 D HN 0.545 nan 8.370 nan 0.000 0.530 255 T N -2.274 112.284 114.554 0.008 0.000 3.067 255 T HA 0.090 4.440 4.350 -0.000 0.000 0.257 255 T C 1.146 175.861 174.700 0.027 0.000 1.105 255 T CA -0.145 61.964 62.100 0.014 0.000 1.104 255 T CB 0.042 68.918 68.868 0.014 0.000 0.925 255 T HN 0.006 nan 8.240 nan 0.000 0.498 256 L N 2.832 124.073 121.223 0.031 0.000 2.426 256 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 256 L C -1.010 175.903 176.870 0.071 0.000 1.169 256 L CA -1.872 53.012 54.840 0.074 0.000 0.836 256 L CB 0.688 42.807 42.059 0.101 0.000 1.112 256 L HN 0.017 nan 8.230 nan 0.000 0.465 257 P HA 0.021 nan 4.420 nan 0.000 0.245 257 P C -0.239 176.997 177.300 -0.107 0.000 1.212 257 P CA 0.866 63.972 63.100 0.011 0.000 0.774 257 P CB 0.502 32.227 31.700 0.042 0.000 0.999 258 K N -0.895 119.348 120.400 -0.262 0.000 2.318 258 K HA 0.742 5.062 4.320 -0.000 0.000 0.265 258 K C -1.118 175.123 176.600 -0.598 0.000 1.055 258 K CA -1.011 54.922 56.287 -0.591 0.000 0.896 258 K CB 1.924 33.749 32.500 -1.125 0.000 1.479 258 K HN -0.257 nan 8.250 nan 0.000 0.449 259 A N 0.904 123.366 122.820 -0.598 0.000 2.343 259 A HA 0.635 4.955 4.320 -0.000 0.000 0.316 259 A C -1.683 175.691 177.584 -0.351 0.000 1.104 259 A CA -0.616 51.258 52.037 -0.272 0.000 0.768 259 A CB 0.746 19.663 19.000 -0.137 0.000 1.213 259 A HN 0.537 nan 8.150 nan 0.000 0.456 260 W N 2.900 124.179 121.300 -0.035 0.000 2.538 260 W HA 0.548 5.208 4.660 0.000 0.000 0.322 260 W C -0.751 175.745 176.519 -0.039 0.000 1.028 260 W CA -0.457 56.877 57.345 -0.019 0.000 1.228 260 W CB 1.866 31.329 29.460 0.005 0.000 1.356 260 W HN 0.744 nan 8.180 nan 0.000 0.452 261 I N 0.484 121.120 120.570 0.110 0.000 2.828 261 I HA 0.767 4.937 4.170 -0.000 0.000 0.302 261 I C -0.832 175.244 176.117 -0.067 0.000 1.101 261 I CA -0.487 60.823 61.300 0.016 0.000 1.031 261 I CB 2.427 40.401 38.000 -0.043 0.000 1.231 261 I HN 0.014 nan 8.210 nan 0.000 0.427 262 S N 5.249 120.936 115.700 -0.021 0.000 2.547 262 S HA 0.795 5.265 4.470 -0.000 0.000 0.281 262 S C -1.269 173.378 174.600 0.077 0.000 1.118 262 S CA -0.581 57.630 58.200 0.017 0.000 0.947 262 S CB 1.598 64.886 63.200 0.147 0.000 1.053 262 S HN 0.791 nan 8.310 nan 0.000 0.482 263 L N 2.505 123.815 121.223 0.146 0.000 2.455 263 L HA 0.937 5.277 4.340 -0.000 0.000 0.264 263 L C -1.155 175.963 176.870 0.414 0.000 0.968 263 L CA -0.244 54.759 54.840 0.271 0.000 0.827 263 L CB 1.597 43.828 42.059 0.286 0.000 1.317 263 L HN 0.864 nan 8.230 nan 0.000 0.407 264 A N 3.208 126.271 122.820 0.404 0.000 2.610 264 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 264 A C -1.392 176.422 177.584 0.382 0.000 1.086 264 A CA -0.162 52.123 52.037 0.414 0.000 0.677 264 A CB 1.666 20.921 19.000 0.424 0.000 1.278 264 A HN 0.902 nan 8.150 nan 0.000 0.414 265 V N -1.549 118.520 119.914 0.259 0.000 3.177 265 V HA 0.746 4.866 4.120 -0.000 0.000 0.319 265 V C 0.222 176.084 176.094 -0.387 0.000 1.125 265 V CA -0.708 61.555 62.300 -0.062 0.000 1.029 265 V CB 1.416 33.208 31.823 -0.052 0.000 1.119 265 V HN 1.042 nan 8.190 nan 0.000 0.452 266 E N 0.822 120.420 120.200 -1.003 0.000 2.351 266 E HA 0.398 4.748 4.350 -0.000 0.000 0.266 266 E C 0.526 177.049 176.600 -0.129 0.000 1.031 266 E CA 0.445 56.421 56.400 -0.708 0.000 0.911 266 E CB 0.547 29.842 29.700 -0.674 0.000 0.986 266 E HN 1.020 nan 8.360 nan 0.000 0.446 267 G N 3.935 112.823 108.800 0.147 0.000 2.666 267 G HA2 0.137 4.097 3.960 -0.000 0.000 0.207 267 G HA3 0.137 4.097 3.960 -0.000 0.000 0.207 267 G C -0.469 174.600 174.900 0.281 0.000 1.481 267 G CA -0.420 44.859 45.100 0.299 0.000 1.071 267 G HN 0.561 nan 8.290 nan 0.000 0.572 268 E N 1.154 121.537 120.200 0.306 0.000 2.183 268 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 268 E C -2.322 174.426 176.600 0.248 0.000 0.919 268 E CA -1.738 54.820 56.400 0.263 0.000 0.781 268 E CB 2.247 32.093 29.700 0.244 0.000 1.140 268 E HN 0.209 nan 8.360 nan 0.000 0.402 269 P HA 0.074 nan 4.420 nan 0.000 0.276 269 P C 0.164 177.593 177.300 0.216 0.000 1.244 269 P CA -0.528 62.701 63.100 0.215 0.000 0.801 269 P CB 0.796 32.604 31.700 0.181 0.000 1.006 270 V N -1.618 118.395 119.914 0.166 0.000 2.763 270 V HA 0.164 4.284 4.120 -0.000 0.000 0.306 270 V C 0.739 176.820 176.094 -0.022 0.000 1.059 270 V CA 0.076 62.397 62.300 0.034 0.000 1.138 270 V CB -0.935 30.866 31.823 -0.036 0.000 0.940 270 V HN 0.853 nan 8.190 nan 0.000 0.489 271 N N 0.700 119.313 118.700 -0.145 0.000 2.861 271 N HA -0.178 4.562 4.740 -0.000 0.000 0.247 271 N C -0.269 175.259 175.510 0.029 0.000 1.117 271 N CA 1.016 54.028 53.050 -0.063 0.000 0.703 271 N CB -1.273 37.198 38.487 -0.027 0.000 1.052 271 N HN 1.350 nan 8.380 nan 0.000 0.555 272 S N -0.759 114.988 115.700 0.078 0.000 2.501 272 S HA 0.674 5.144 4.470 -0.000 0.000 0.301 272 S C -1.543 173.145 174.600 0.147 0.000 1.096 272 S CA -1.509 56.770 58.200 0.133 0.000 1.063 272 S CB 1.499 64.809 63.200 0.185 0.000 1.042 272 S HN 0.014 nan 8.310 nan 0.000 0.494 273 P HA -0.020 nan 4.420 nan 0.000 0.216 273 P C 0.053 177.445 177.300 0.155 0.000 1.150 273 P CA 1.268 64.449 63.100 0.136 0.000 0.837 273 P CB -0.051 31.716 31.700 0.112 0.000 0.786 274 N N -2.430 116.362 118.700 0.153 0.000 2.313 274 N HA 0.003 4.743 4.740 -0.000 0.000 0.207 274 N C 1.080 176.596 175.510 0.009 0.000 1.141 274 N CA -0.288 52.816 53.050 0.091 0.000 0.830 274 N CB -0.539 38.066 38.487 0.197 0.000 1.008 274 N HN 0.122 nan 8.380 nan 0.000 0.481 275 Y N 0.410 120.673 120.300 -0.062 0.000 2.151 275 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 275 Y C 1.153 176.849 175.900 -0.341 0.000 1.166 275 Y CA 1.778 59.752 58.100 -0.209 0.000 1.163 275 Y CB -0.156 38.109 38.460 -0.325 0.000 0.974 275 Y HN 0.087 nan 8.280 nan 0.000 0.511 276 F N -1.753 118.196 119.950 -0.002 0.000 2.270 276 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 276 F C 2.252 177.899 175.800 -0.254 0.000 1.087 276 F CA 0.942 58.874 58.000 -0.113 0.000 1.365 276 F CB -0.512 38.494 39.000 0.011 0.000 1.056 276 F HN -0.175 nan 8.300 nan 0.000 0.506 277 V N 0.177 120.001 119.914 -0.150 0.000 2.332 277 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 277 V C 2.556 178.178 176.094 -0.786 0.000 1.055 277 V CA 1.848 63.914 62.300 -0.390 0.000 1.038 277 V CB -1.362 30.214 31.823 -0.412 0.000 0.651 277 V HN 0.360 nan 8.190 nan 0.000 0.450 278 A N -0.320 121.926 122.820 -0.957 0.000 1.877 278 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 278 A C 2.326 179.707 177.584 -0.340 0.000 1.186 278 A CA 1.905 53.334 52.037 -1.014 0.000 0.620 278 A CB -0.454 18.294 19.000 -0.420 0.000 0.822 278 A HN 0.505 nan 8.150 nan 0.000 0.443 279 K N -0.731 119.491 120.400 -0.298 0.000 2.147 279 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 279 K C 1.977 178.516 176.600 -0.101 0.000 1.049 279 K CA 1.250 57.435 56.287 -0.171 0.000 0.936 279 K CB -0.328 32.025 32.500 -0.244 0.000 0.722 279 K HN 0.551 nan 8.250 nan 0.000 0.446 280 L N 0.574 121.710 121.223 -0.145 0.000 2.027 280 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 280 L C 2.353 179.141 176.870 -0.137 0.000 1.074 280 L CA 1.341 56.103 54.840 -0.131 0.000 0.745 280 L CB -0.357 41.616 42.059 -0.143 0.000 0.898 280 L HN 0.099 nan 8.230 nan 0.000 0.433 281 A N -0.039 122.678 122.820 -0.170 0.000 1.948 281 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 281 A C 2.371 180.070 177.584 0.191 0.000 1.177 281 A CA 1.896 53.900 52.037 -0.056 0.000 0.636 281 A CB -0.971 17.906 19.000 -0.205 0.000 0.815 281 A HN 0.613 nan 8.150 nan 0.000 0.449 282 A N -1.501 121.473 122.820 0.256 0.000 2.014 282 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 282 A C 2.072 179.633 177.584 -0.038 0.000 1.163 282 A CA 1.786 53.861 52.037 0.062 0.000 0.652 282 A CB -0.327 18.589 19.000 -0.139 0.000 0.808 282 A HN 0.513 nan 8.150 nan 0.000 0.449 283 Q N 0.126 119.887 119.800 -0.065 0.000 2.230 283 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 283 Q C 1.650 177.556 176.000 -0.156 0.000 0.963 283 Q CA 1.181 56.938 55.803 -0.076 0.000 0.866 283 Q CB -0.477 28.217 28.738 -0.073 0.000 0.931 283 Q HN 0.702 nan 8.270 nan 0.000 0.452 284 I N -0.445 119.943 120.570 -0.304 0.000 2.208 284 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 284 I C 1.109 176.900 176.117 -0.543 0.000 1.097 284 I CA 1.251 62.252 61.300 -0.498 0.000 1.363 284 I CB -0.249 37.284 38.000 -0.779 0.000 1.051 284 I HN 0.196 nan 8.210 nan 0.000 0.413 285 F N 0.462 120.312 119.950 -0.167 0.000 2.619 285 F HA 0.294 4.821 4.527 0.000 0.000 0.293 285 F C 1.900 177.662 175.800 -0.063 0.000 1.119 285 F CA 0.368 58.195 58.000 -0.289 0.000 1.445 285 F CB -1.245 37.215 39.000 -0.900 0.000 1.119 285 F HN 0.137 nan 8.300 nan 0.000 0.573 286 G N 0.722 109.564 108.800 0.070 0.000 2.582 286 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.300 286 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.300 286 G C 0.142 175.286 174.900 0.407 0.000 1.300 286 G CA 0.331 45.549 45.100 0.198 0.000 0.959 286 G HN 0.761 nan 8.290 nan 0.000 0.548 287 S N -1.506 114.335 115.700 0.235 0.000 2.634 287 S HA 0.765 5.235 4.470 -0.000 0.000 0.296 287 S C -0.907 173.610 174.600 -0.138 0.000 1.104 287 S CA 0.143 58.411 58.200 0.114 0.000 0.920 287 S CB 2.592 65.867 63.200 0.126 0.000 1.111 287 S HN 1.997 nan 8.310 nan 0.000 0.493 288 Y N 0.773 120.692 120.300 -0.634 0.000 2.571 288 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 288 Y C -1.467 174.237 175.900 -0.327 0.000 1.076 288 Y CA -0.669 57.066 58.100 -0.608 0.000 1.029 288 Y CB 1.839 39.592 38.460 -1.179 0.000 1.308 288 Y HN 1.007 nan 8.280 nan 0.000 0.461 289 N N 3.513 121.616 118.700 -0.996 0.000 2.571 289 N HA 0.456 5.196 4.740 -0.000 0.000 0.286 289 N C -0.186 174.723 175.510 -1.001 0.000 1.138 289 N CA 0.286 52.914 53.050 -0.704 0.000 0.859 289 N CB 1.640 39.971 38.487 -0.260 0.000 1.414 289 N HN 0.869 nan 8.380 nan 0.000 0.529 290 A N 2.716 124.893 122.820 -1.071 0.000 2.131 290 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 290 A C 0.854 178.042 177.584 -0.660 0.000 1.158 290 A CA 1.098 52.662 52.037 -0.789 0.000 0.665 290 A CB -0.561 18.106 19.000 -0.556 0.000 0.795 290 A HN 0.695 nan 8.150 nan 0.000 0.460 291 F N -0.173 119.666 119.950 -0.185 0.000 2.698 291 F HA 0.150 4.677 4.527 0.000 0.000 0.295 291 F C 0.693 176.442 175.800 -0.086 0.000 1.124 291 F CA 0.122 58.065 58.000 -0.096 0.000 1.426 291 F CB 0.324 39.285 39.000 -0.066 0.000 1.120 291 F HN -0.002 nan 8.300 nan 0.000 0.583 292 E N 1.722 121.915 120.200 -0.010 0.000 2.044 292 E HA 0.131 4.481 4.350 -0.000 0.000 0.282 292 E C -1.743 174.836 176.600 -0.035 0.000 1.031 292 E CA -1.899 54.491 56.400 -0.018 0.000 0.824 292 E CB 0.928 30.603 29.700 -0.041 0.000 1.076 292 E HN 0.060 nan 8.360 nan 0.000 0.395 293 P HA -0.270 nan 4.420 nan 0.000 0.217 293 P C 1.085 178.390 177.300 0.008 0.000 1.158 293 P CA 2.107 65.209 63.100 0.003 0.000 0.887 293 P CB 0.326 32.033 31.700 0.011 0.000 0.792 294 A N -1.257 121.567 122.820 0.006 0.000 1.972 294 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 294 A C 2.489 180.086 177.584 0.022 0.000 1.169 294 A CA 2.075 54.120 52.037 0.013 0.000 0.635 294 A CB -1.566 17.440 19.000 0.010 0.000 0.810 294 A HN 0.193 nan 8.150 nan 0.000 0.446 295 S N -0.500 115.202 115.700 0.004 0.000 2.402 295 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 295 S C 1.984 176.667 174.600 0.139 0.000 1.021 295 S CA 1.030 59.243 58.200 0.022 0.000 0.974 295 S CB -0.327 62.806 63.200 -0.112 0.000 0.800 295 S HN 0.646 nan 8.310 nan 0.000 0.484 296 R N 0.404 120.979 120.500 0.124 0.000 2.316 296 R HA 0.106 4.446 4.340 -0.000 0.000 0.202 296 R C 1.293 177.662 176.300 0.114 0.000 1.029 296 R CA 0.635 56.855 56.100 0.199 0.000 1.018 296 R CB -0.241 30.133 30.300 0.123 0.000 0.888 296 R HN 0.436 nan 8.270 nan 0.000 0.471 297 L N 0.398 121.669 121.223 0.079 0.000 2.640 297 L HA 0.116 4.456 4.340 -0.000 0.000 0.230 297 L C 0.490 177.388 176.870 0.047 0.000 1.123 297 L CA -0.117 54.752 54.840 0.050 0.000 0.900 297 L CB 0.034 42.112 42.059 0.032 0.000 1.146 297 L HN 0.067 nan 8.230 nan 0.000 0.484 298 Q N 0.808 120.648 119.800 0.066 0.000 2.428 298 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 298 Q C 0.966 176.992 176.000 0.044 0.000 1.059 298 Q CA 0.329 56.166 55.803 0.056 0.000 0.923 298 Q CB 0.395 29.181 28.738 0.080 0.000 1.283 298 Q HN 0.277 nan 8.270 nan 0.000 0.447 299 G N 2.466 111.282 108.800 0.026 0.000 3.197 299 G HA2 0.324 4.284 3.960 -0.000 0.000 0.257 299 G HA3 0.324 4.284 3.960 -0.000 0.000 0.257 299 G C -0.274 174.637 174.900 0.018 0.000 0.835 299 G CA -0.135 44.973 45.100 0.013 0.000 2.001 299 G HN 0.400 nan 8.290 nan 0.000 0.625 300 I N 0.300 120.895 120.570 0.042 0.000 2.439 300 I HA 0.203 4.373 4.170 -0.000 0.000 0.285 300 I C 0.984 177.136 176.117 0.059 0.000 1.021 300 I CA -0.751 60.591 61.300 0.070 0.000 1.091 300 I CB 2.190 40.274 38.000 0.139 0.000 1.242 300 I HN 0.158 nan 8.210 nan 0.000 0.439 301 K N 3.259 123.694 120.400 0.058 0.000 2.103 301 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 301 K C 1.834 178.430 176.600 -0.006 0.000 1.048 301 K CA 1.242 57.545 56.287 0.027 0.000 0.930 301 K CB -0.011 32.514 32.500 0.041 0.000 0.716 301 K HN 0.481 nan 8.250 nan 0.000 0.444 302 L N 1.586 122.827 121.223 0.029 0.000 2.187 302 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 302 L C 1.687 178.494 176.870 -0.105 0.000 1.100 302 L CA 1.496 56.300 54.840 -0.059 0.000 0.765 302 L CB -0.281 41.742 42.059 -0.060 0.000 0.904 302 L HN 0.155 nan 8.230 nan 0.000 0.437 303 L N -0.971 120.220 121.223 -0.053 0.000 2.275 303 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 303 L C 2.013 178.813 176.870 -0.117 0.000 1.119 303 L CA 0.797 55.575 54.840 -0.104 0.000 0.790 303 L CB -0.801 41.221 42.059 -0.062 0.000 0.919 303 L HN 0.291 nan 8.230 nan 0.000 0.443 304 D N 0.307 120.639 120.400 -0.114 0.000 2.144 304 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 304 D C 1.797 177.979 176.300 -0.197 0.000 0.978 304 D CA 1.223 55.149 54.000 -0.124 0.000 0.833 304 D CB -0.189 40.546 40.800 -0.108 0.000 0.961 304 D HN 0.467 nan 8.370 nan 0.000 0.470 305 N N 0.330 118.838 118.700 -0.320 0.000 2.173 305 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 305 N C 1.944 177.254 175.510 -0.334 0.000 1.025 305 N CA 0.733 53.434 53.050 -0.582 0.000 0.852 305 N CB -0.041 37.753 38.487 -1.155 0.000 0.998 305 N HN 0.205 nan 8.380 nan 0.000 0.427 306 I N -0.618 119.836 120.570 -0.193 0.000 2.928 306 I HA -0.048 4.122 4.170 -0.000 0.000 0.266 306 I C 1.513 177.627 176.117 -0.006 0.000 1.234 306 I CA 1.202 62.478 61.300 -0.041 0.000 1.483 306 I CB -0.179 37.805 38.000 -0.026 0.000 1.097 306 I HN 0.069 nan 8.210 nan 0.000 0.455 307 Q N 0.815 120.584 119.800 -0.050 0.000 2.331 307 Q HA -0.090 4.250 4.340 -0.000 0.000 0.203 307 Q C 1.944 177.928 176.000 -0.026 0.000 0.944 307 Q CA 0.912 56.705 55.803 -0.017 0.000 0.892 307 Q CB -0.075 28.650 28.738 -0.022 0.000 0.983 307 Q HN 0.719 nan 8.270 nan 0.000 0.482 308 E N 0.492 120.668 120.200 -0.039 0.000 2.049 308 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 308 E C 0.529 176.984 176.600 -0.240 0.000 1.007 308 E CA 1.297 57.624 56.400 -0.122 0.000 0.809 308 E CB 0.101 29.764 29.700 -0.060 0.000 0.749 308 E HN 0.387 nan 8.360 nan 0.000 0.450 309 Y N -0.609 119.703 120.300 0.020 0.000 2.507 309 Y HA 0.200 4.750 4.550 0.000 0.000 0.254 309 Y C -0.125 175.794 175.900 0.031 0.000 1.171 309 Y CA -0.186 57.932 58.100 0.031 0.000 1.238 309 Y CB 0.795 39.284 38.460 0.048 0.000 1.148 309 Y HN -0.004 nan 8.280 nan 0.000 0.525 310 Q N 0.504 120.378 119.800 0.123 0.000 2.453 310 Q HA -0.187 4.153 4.340 -0.000 0.000 0.350 310 Q C 0.042 176.116 176.000 0.124 0.000 1.447 310 Q CA 0.098 55.959 55.803 0.096 0.000 0.968 310 Q CB -1.338 27.427 28.738 0.045 0.000 1.175 310 Q HN 0.453 nan 8.270 nan 0.000 0.354 311 L N -0.575 120.735 121.223 0.145 0.000 2.456 311 L HA 0.088 4.428 4.340 -0.000 0.000 0.224 311 L C 1.105 178.057 176.870 0.136 0.000 1.148 311 L CA 1.506 56.429 54.840 0.140 0.000 0.825 311 L CB -0.766 41.389 42.059 0.161 0.000 0.937 311 L HN 0.860 nan 8.230 nan 0.000 0.450 312 C N -6.021 113.381 119.300 0.170 0.000 3.303 312 C HA 0.368 4.828 4.460 -0.000 0.000 0.340 312 C C 0.932 176.047 174.990 0.208 0.000 1.274 312 C CA -1.063 58.068 59.018 0.189 0.000 1.234 312 C CB 0.853 28.762 27.740 0.281 0.000 1.532 312 C HN 0.064 nan 8.230 nan 0.000 0.483 313 D N 1.276 121.768 120.400 0.154 0.000 2.213 313 D HA 0.142 4.782 4.640 -0.000 0.000 0.205 313 D C 0.555 176.929 176.300 0.123 0.000 0.961 313 D CA 1.624 55.707 54.000 0.138 0.000 0.853 313 D CB 0.152 41.092 40.800 0.234 0.000 0.967 313 D HN 0.874 nan 8.370 nan 0.000 0.496 314 N N -0.672 118.151 118.700 0.205 0.000 3.127 314 N HA 0.285 5.025 4.740 -0.000 0.000 0.239 314 N C -1.345 174.379 175.510 0.355 0.000 1.407 314 N CA -0.631 52.533 53.050 0.191 0.000 0.891 314 N CB 1.623 40.160 38.487 0.084 0.000 1.447 314 N HN -0.008 nan 8.380 nan 0.000 0.507 315 F N -1.585 118.566 119.950 0.335 0.000 2.713 315 F HA 0.638 5.165 4.527 0.000 0.000 0.311 315 F C -2.019 173.990 175.800 0.347 0.000 1.141 315 F CA -0.908 57.290 58.000 0.330 0.000 0.939 315 F CB 1.542 40.816 39.000 0.456 0.000 1.325 315 F HN 0.658 nan 8.300 nan 0.000 0.453 316 N N 0.240 119.330 118.700 0.649 0.000 2.452 316 N HA 0.214 4.954 4.740 -0.000 0.000 0.277 316 N C -2.085 173.677 175.510 0.420 0.000 1.078 316 N CA -0.623 52.742 53.050 0.525 0.000 0.947 316 N CB 1.639 40.329 38.487 0.339 0.000 1.655 316 N HN 0.880 nan 8.380 nan 0.000 0.490 317 H N 1.166 120.396 119.070 0.266 0.000 2.488 317 H HA 0.576 5.131 4.556 -0.000 0.000 0.347 317 H C -0.626 174.598 175.328 -0.172 0.000 1.174 317 H CA -0.035 55.921 56.048 -0.153 0.000 1.307 317 H CB 1.296 30.951 29.762 -0.178 0.000 1.517 317 H HN 0.583 nan 8.280 nan 0.000 0.554 318 F N -1.442 118.420 119.950 -0.146 0.000 2.668 318 F HA 0.379 4.906 4.527 0.000 0.000 0.309 318 F C -0.548 175.077 175.800 -0.291 0.000 1.117 318 F CA -1.196 56.722 58.000 -0.137 0.000 0.951 318 F CB 1.586 40.573 39.000 -0.021 0.000 1.323 318 F HN 0.301 nan 8.300 nan 0.000 0.451 319 S N 2.336 118.111 115.700 0.126 0.000 2.395 319 S HA 0.587 5.057 4.470 -0.000 0.000 0.207 319 S C -1.516 173.157 174.600 0.122 0.000 1.454 319 S CA -0.389 57.885 58.200 0.124 0.000 1.211 319 S CB -0.119 63.123 63.200 0.070 0.000 1.093 319 S HN 0.558 nan 8.310 nan 0.000 0.472 320 L N 3.753 125.101 121.223 0.208 0.000 2.319 320 L HA 0.504 4.844 4.340 -0.000 0.000 0.280 320 L C 0.315 177.137 176.870 -0.080 0.000 1.099 320 L CA 0.538 55.395 54.840 0.028 0.000 0.828 320 L CB 1.010 43.140 42.059 0.117 0.000 1.150 320 L HN 0.522 nan 8.230 nan 0.000 0.442 321 S N 3.517 119.063 115.700 -0.257 0.000 2.500 321 S HA 0.754 5.224 4.470 -0.000 0.000 0.301 321 S C -0.927 173.432 174.600 -0.401 0.000 1.092 321 S CA -0.478 57.636 58.200 -0.143 0.000 1.030 321 S CB 1.281 64.581 63.200 0.167 0.000 1.031 321 S HN 0.356 nan 8.310 nan 0.000 0.483 322 Y N 0.564 120.974 120.300 0.185 0.000 2.790 322 Y HA 0.463 5.013 4.550 -0.000 0.000 0.323 322 Y C 1.554 177.515 175.900 0.102 0.000 1.230 322 Y CA -1.240 56.933 58.100 0.122 0.000 1.121 322 Y CB 0.785 39.277 38.460 0.053 0.000 1.328 322 Y HN 0.548 nan 8.280 nan 0.000 0.514 323 K N 0.145 120.702 120.400 0.262 0.000 2.009 323 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 323 K C 0.441 177.121 176.600 0.134 0.000 1.049 323 K CA 2.524 58.905 56.287 0.157 0.000 0.929 323 K CB -0.197 32.378 32.500 0.125 0.000 0.714 323 K HN 0.699 nan 8.250 nan 0.000 0.440 324 D N -0.660 119.812 120.400 0.120 0.000 2.355 324 D HA 0.064 4.704 4.640 -0.000 0.000 0.206 324 D C 0.597 176.986 176.300 0.147 0.000 1.010 324 D CA 0.298 54.361 54.000 0.104 0.000 0.875 324 D CB 1.007 41.840 40.800 0.056 0.000 0.966 324 D HN 0.095 nan 8.370 nan 0.000 0.512 325 S N -1.848 113.967 115.700 0.193 0.000 2.755 325 S HA 0.676 5.146 4.470 -0.000 0.000 0.286 325 S C -1.084 173.766 174.600 0.417 0.000 1.207 325 S CA -0.133 58.243 58.200 0.294 0.000 0.892 325 S CB 1.440 64.854 63.200 0.356 0.000 1.240 325 S HN 0.203 nan 8.310 nan 0.000 0.525 326 G N -0.008 109.116 108.800 0.541 0.000 2.550 326 G HA2 0.595 4.555 3.960 -0.000 0.000 0.293 326 G HA3 0.595 4.555 3.960 -0.000 0.000 0.293 326 G C -2.415 172.846 174.900 0.602 0.000 1.402 326 G CA -0.607 44.826 45.100 0.554 0.000 0.784 326 G HN 0.731 nan 8.290 nan 0.000 0.482 327 L N -0.197 121.342 121.223 0.527 0.000 2.409 327 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 327 L C -1.516 175.659 176.870 0.508 0.000 0.980 327 L CA -0.528 54.599 54.840 0.478 0.000 0.826 327 L CB 2.704 45.037 42.059 0.456 0.000 1.268 327 L HN 0.672 nan 8.230 nan 0.000 0.407 328 W N 4.203 125.641 121.300 0.229 0.000 2.471 328 W HA 0.689 5.349 4.660 -0.000 0.000 0.318 328 W C 0.040 176.526 176.519 -0.056 0.000 1.034 328 W CA 0.087 57.508 57.345 0.126 0.000 1.224 328 W CB 1.750 31.303 29.460 0.154 0.000 1.335 328 W HN 0.585 nan 8.180 nan 0.000 0.452 329 G N 3.682 112.042 108.800 -0.732 0.000 2.435 329 G HA2 0.446 4.406 3.960 -0.000 0.000 0.228 329 G HA3 0.446 4.406 3.960 -0.000 0.000 0.228 329 G C -1.665 172.547 174.900 -1.147 0.000 1.198 329 G CA -0.288 44.426 45.100 -0.643 0.000 0.948 329 G HN 0.973 nan 8.290 nan 0.000 0.487 330 F N -0.872 118.617 119.950 -0.769 0.000 2.685 330 F HA 0.878 5.405 4.527 -0.000 0.000 0.315 330 F C -0.768 174.992 175.800 -0.067 0.000 1.126 330 F CA -0.969 56.586 58.000 -0.743 0.000 0.950 330 F CB 1.853 40.325 39.000 -0.881 0.000 1.360 330 F HN 0.563 nan 8.300 nan 0.000 0.469 331 S N 0.613 116.215 115.700 -0.164 0.000 2.568 331 S HA 0.772 5.242 4.470 -0.000 0.000 0.293 331 S C -1.037 173.443 174.600 -0.201 0.000 1.089 331 S CA -0.680 57.432 58.200 -0.147 0.000 0.945 331 S CB 1.994 65.340 63.200 0.242 0.000 1.077 331 S HN 0.925 nan 8.310 nan 0.000 0.485 332 T N 0.321 114.768 114.554 -0.179 0.000 2.853 332 T HA 0.735 5.085 4.350 -0.000 0.000 0.311 332 T C -1.994 172.731 174.700 0.041 0.000 1.307 332 T CA -0.386 61.722 62.100 0.014 0.000 1.019 332 T CB 1.406 70.270 68.868 -0.007 0.000 1.264 332 T HN 0.899 nan 8.240 nan 0.000 0.497 333 A N 1.785 124.633 122.820 0.046 0.000 2.393 333 A HA 0.858 5.178 4.320 -0.000 0.000 0.306 333 A C -0.303 177.198 177.584 -0.139 0.000 1.050 333 A CA -0.618 51.314 52.037 -0.176 0.000 0.724 333 A CB 1.976 20.885 19.000 -0.151 0.000 1.248 333 A HN 0.989 nan 8.150 nan 0.000 0.424 334 T N 0.315 114.706 114.554 -0.271 0.000 2.932 334 T HA 0.511 4.861 4.350 -0.000 0.000 0.318 334 T C 0.075 174.663 174.700 -0.187 0.000 1.265 334 T CA -0.413 61.602 62.100 -0.141 0.000 1.036 334 T CB 1.338 70.177 68.868 -0.047 0.000 1.209 334 T HN 0.604 nan 8.240 nan 0.000 0.484 335 R N 1.792 122.238 120.500 -0.089 0.000 2.397 335 R HA 0.303 4.643 4.340 -0.000 0.000 0.241 335 R C 0.728 177.008 176.300 -0.034 0.000 0.914 335 R CA -0.013 56.042 56.100 -0.075 0.000 1.071 335 R CB 0.193 30.480 30.300 -0.022 0.000 1.116 335 R HN 0.536 nan 8.270 nan 0.000 0.524 336 N N 0.999 119.689 118.700 -0.016 0.000 3.034 336 N HA 0.001 4.741 4.740 -0.000 0.000 0.265 336 N C 1.085 176.585 175.510 -0.017 0.000 1.166 336 N CA -0.271 52.782 53.050 0.005 0.000 1.081 336 N CB 0.817 39.327 38.487 0.037 0.000 1.378 336 N HN 0.005 nan 8.380 nan 0.000 0.520 337 V N 0.031 119.927 119.914 -0.030 0.000 3.141 337 V HA -0.060 4.060 4.120 -0.000 0.000 0.265 337 V C 1.683 177.756 176.094 -0.035 0.000 1.126 337 V CA 1.644 63.920 62.300 -0.039 0.000 1.141 337 V CB -0.670 31.126 31.823 -0.045 0.000 0.743 337 V HN 0.622 nan 8.190 nan 0.000 0.492 338 T N -3.610 110.927 114.554 -0.029 0.000 3.069 338 T HA 0.375 4.725 4.350 -0.000 0.000 0.252 338 T C 0.996 175.665 174.700 -0.051 0.000 1.053 338 T CA 0.271 62.349 62.100 -0.038 0.000 0.964 338 T CB -0.012 68.836 68.868 -0.033 0.000 1.005 338 T HN 0.468 nan 8.240 nan 0.000 0.532 339 M N 0.040 119.614 119.600 -0.043 0.000 2.511 339 M HA 0.466 4.946 4.480 -0.000 0.000 0.387 339 M C 0.900 177.173 176.300 -0.044 0.000 1.112 339 M CA -0.121 55.146 55.300 -0.055 0.000 0.921 339 M CB 0.305 32.881 32.600 -0.040 0.000 1.501 339 M HN 0.107 nan 8.290 nan 0.000 0.538 340 I N 1.732 122.277 120.570 -0.041 0.000 2.315 340 I HA -0.334 3.836 4.170 -0.000 0.000 0.251 340 I C 2.231 178.316 176.117 -0.052 0.000 1.125 340 I CA 1.564 62.843 61.300 -0.034 0.000 1.392 340 I CB -0.389 37.589 38.000 -0.037 0.000 1.065 340 I HN 0.473 nan 8.210 nan 0.000 0.424 341 D N 0.437 120.787 120.400 -0.083 0.000 2.178 341 D HA -0.223 4.417 4.640 -0.000 0.000 0.202 341 D C 1.358 177.566 176.300 -0.153 0.000 0.974 341 D CA 1.210 55.140 54.000 -0.116 0.000 0.841 341 D CB -0.505 40.213 40.800 -0.138 0.000 0.953 341 D HN 0.364 nan 8.370 nan 0.000 0.478 342 D N 0.763 121.066 120.400 -0.162 0.000 2.149 342 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 342 D C 2.290 178.514 176.300 -0.127 0.000 0.972 342 D CA 0.036 53.885 54.000 -0.251 0.000 0.835 342 D CB -0.002 40.690 40.800 -0.181 0.000 0.966 342 D HN 0.233 nan 8.370 nan 0.000 0.476 343 L N 0.938 122.154 121.223 -0.012 0.000 1.989 343 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 343 L C 2.192 179.040 176.870 -0.037 0.000 1.071 343 L CA 1.106 55.972 54.840 0.044 0.000 0.749 343 L CB -0.122 41.978 42.059 0.069 0.000 0.890 343 L HN -0.038 nan 8.230 nan 0.000 0.431 344 I N -0.525 120.011 120.570 -0.057 0.000 2.226 344 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 344 I C 2.485 178.452 176.117 -0.250 0.000 1.100 344 I CA 1.584 62.811 61.300 -0.122 0.000 1.374 344 I CB -1.817 36.132 38.000 -0.085 0.000 1.057 344 I HN 0.451 nan 8.210 nan 0.000 0.413 345 H N 0.998 119.876 119.070 -0.321 0.000 2.326 345 H HA -0.161 4.395 4.556 0.000 0.000 0.301 345 H C 2.048 177.166 175.328 -0.351 0.000 1.081 345 H CA 1.864 57.681 56.048 -0.385 0.000 1.334 345 H CB -0.271 29.203 29.762 -0.481 0.000 1.385 345 H HN 0.093 nan 8.280 nan 0.000 0.504 346 F N 0.298 120.031 119.950 -0.362 0.000 2.186 346 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 346 F C 2.729 178.225 175.800 -0.507 0.000 1.090 346 F CA 1.589 59.346 58.000 -0.404 0.000 1.307 346 F CB -1.015 37.855 39.000 -0.218 0.000 1.019 346 F HN 0.187 nan 8.300 nan 0.000 0.489 347 T N 0.292 114.592 114.554 -0.424 0.000 2.708 347 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 347 T C 2.016 176.017 174.700 -1.166 0.000 1.037 347 T CA 1.134 62.729 62.100 -0.842 0.000 1.146 347 T CB -0.467 67.717 68.868 -1.139 0.000 0.865 347 T HN -0.006 nan 8.240 nan 0.000 0.435 348 L N 0.679 121.309 121.223 -0.989 0.000 2.217 348 L HA 0.067 4.407 4.340 -0.000 0.000 0.211 348 L C 2.359 178.926 176.870 -0.506 0.000 1.107 348 L CA 1.406 55.715 54.840 -0.884 0.000 0.783 348 L CB -0.494 41.187 42.059 -0.629 0.000 0.919 348 L HN 0.009 nan 8.230 nan 0.000 0.442 349 K N -0.640 119.486 120.400 -0.456 0.000 2.097 349 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 349 K C 2.071 178.591 176.600 -0.134 0.000 1.050 349 K CA 0.797 56.921 56.287 -0.272 0.000 0.938 349 K CB -0.235 32.092 32.500 -0.288 0.000 0.718 349 K HN 0.307 nan 8.250 nan 0.000 0.442 350 Q N -0.436 119.247 119.800 -0.196 0.000 2.050 350 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 350 Q C 1.993 178.047 176.000 0.091 0.000 0.980 350 Q CA 1.249 57.017 55.803 -0.059 0.000 0.840 350 Q CB -0.349 28.282 28.738 -0.179 0.000 0.898 350 Q HN 0.388 nan 8.270 nan 0.000 0.424 351 W N 1.288 122.392 121.300 -0.327 0.000 2.392 351 W HA -0.073 4.587 4.660 0.000 0.000 0.279 351 W C 1.725 178.278 176.519 0.057 0.000 1.225 351 W CA 0.387 57.656 57.345 -0.127 0.000 1.233 351 W CB -1.274 28.108 29.460 -0.130 0.000 1.122 351 W HN 0.361 nan 8.180 nan 0.000 0.561 352 N N 0.052 118.893 118.700 0.236 0.000 2.166 352 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 352 N C 1.789 177.503 175.510 0.340 0.000 1.019 352 N CA 1.180 54.403 53.050 0.289 0.000 0.856 352 N CB -0.295 38.297 38.487 0.176 0.000 0.993 352 N HN 0.126 nan 8.380 nan 0.000 0.426 353 R N 0.920 121.577 120.500 0.262 0.000 2.105 353 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 353 R C 2.030 178.450 176.300 0.200 0.000 1.135 353 R CA 0.873 57.105 56.100 0.219 0.000 0.967 353 R CB -0.490 29.936 30.300 0.210 0.000 0.861 353 R HN 0.302 nan 8.270 nan 0.000 0.442 354 L N 0.117 121.496 121.223 0.261 0.000 2.189 354 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 354 L C 1.890 178.825 176.870 0.109 0.000 1.097 354 L CA 1.333 56.288 54.840 0.192 0.000 0.764 354 L CB -0.603 41.597 42.059 0.235 0.000 0.900 354 L HN 0.270 nan 8.230 nan 0.000 0.436 355 T N -0.483 114.131 114.554 0.101 0.000 3.035 355 T HA 0.060 4.410 4.350 -0.000 0.000 0.259 355 T C 1.699 176.328 174.700 -0.119 0.000 1.078 355 T CA 0.993 63.071 62.100 -0.037 0.000 1.132 355 T CB 0.237 69.040 68.868 -0.109 0.000 0.900 355 T HN 0.487 nan 8.240 nan 0.000 0.480 356 I N -1.436 119.103 120.570 -0.050 0.000 4.433 356 I HA 0.369 4.539 4.170 -0.000 0.000 0.322 356 I C 1.293 177.403 176.117 -0.012 0.000 1.284 356 I CA 0.007 61.265 61.300 -0.070 0.000 1.269 356 I CB 0.613 38.566 38.000 -0.078 0.000 1.219 356 I HN 0.109 nan 8.210 nan 0.000 0.436 357 S N 0.596 116.314 115.700 0.030 0.000 3.053 357 S HA 0.273 4.743 4.470 -0.000 0.000 0.255 357 S C 0.039 174.661 174.600 0.036 0.000 0.976 357 S CA -0.219 57.999 58.200 0.030 0.000 1.159 357 S CB -0.323 62.901 63.200 0.040 0.000 1.110 357 S HN 0.171 nan 8.310 nan 0.000 0.633 358 V N 4.224 124.163 119.914 0.042 0.000 2.673 358 V HA 0.431 4.551 4.120 -0.000 0.000 0.303 358 V C 0.639 176.734 176.094 0.002 0.000 1.046 358 V CA 1.053 63.370 62.300 0.029 0.000 1.126 358 V CB 0.795 32.631 31.823 0.023 0.000 0.934 358 V HN 0.736 nan 8.190 nan 0.000 0.487 359 T N 2.535 117.084 114.554 -0.007 0.000 2.902 359 T HA 0.308 4.658 4.350 -0.000 0.000 0.280 359 T C 0.827 175.510 174.700 -0.028 0.000 0.992 359 T CA -0.366 61.724 62.100 -0.015 0.000 1.015 359 T CB 1.208 70.068 68.868 -0.013 0.000 1.044 359 T HN 0.693 nan 8.240 nan 0.000 0.520 360 D N 0.874 121.258 120.400 -0.027 0.000 2.104 360 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 360 D C 2.211 178.487 176.300 -0.040 0.000 0.994 360 D CA 2.156 56.136 54.000 -0.033 0.000 0.830 360 D CB -0.636 40.147 40.800 -0.028 0.000 0.959 360 D HN 0.838 nan 8.370 nan 0.000 0.452 361 T N -0.281 114.252 114.554 -0.035 0.000 2.915 361 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 361 T C 1.701 176.370 174.700 -0.050 0.000 1.071 361 T CA 1.255 63.332 62.100 -0.039 0.000 1.132 361 T CB 0.013 68.863 68.868 -0.030 0.000 0.878 361 T HN 0.141 nan 8.240 nan 0.000 0.479 362 E N 0.041 120.207 120.200 -0.056 0.000 2.072 362 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 362 E C 2.405 178.944 176.600 -0.102 0.000 0.982 362 E CA 1.132 57.484 56.400 -0.081 0.000 0.803 362 E CB -0.116 29.531 29.700 -0.088 0.000 0.755 362 E HN 0.350 nan 8.360 nan 0.000 0.453 363 V N 1.865 121.725 119.914 -0.090 0.000 2.295 363 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 363 V C 2.183 178.221 176.094 -0.093 0.000 1.049 363 V CA 1.705 63.947 62.300 -0.096 0.000 1.024 363 V CB -0.406 31.371 31.823 -0.076 0.000 0.648 363 V HN 0.216 nan 8.190 nan 0.000 0.447 364 E N -0.059 120.095 120.200 -0.077 0.000 2.110 364 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 364 E C 2.315 178.867 176.600 -0.080 0.000 0.988 364 E CA 1.065 57.420 56.400 -0.075 0.000 0.804 364 E CB -0.363 29.302 29.700 -0.059 0.000 0.745 364 E HN 0.502 nan 8.360 nan 0.000 0.458 365 R N 0.503 120.958 120.500 -0.076 0.000 2.092 365 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 365 R C 2.163 178.411 176.300 -0.087 0.000 1.119 365 R CA 1.194 57.251 56.100 -0.072 0.000 0.970 365 R CB -0.079 30.183 30.300 -0.063 0.000 0.864 365 R HN 0.121 nan 8.270 nan 0.000 0.440 366 A N 1.245 124.002 122.820 -0.105 0.000 1.898 366 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 366 A C 1.988 179.499 177.584 -0.121 0.000 1.181 366 A CA 1.426 53.393 52.037 -0.117 0.000 0.620 366 A CB -0.304 18.612 19.000 -0.141 0.000 0.819 366 A HN 0.297 nan 8.150 nan 0.000 0.442 367 K N 0.015 120.337 120.400 -0.130 0.000 2.020 367 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 367 K C 2.410 178.895 176.600 -0.193 0.000 1.050 367 K CA 1.810 58.000 56.287 -0.162 0.000 0.929 367 K CB -0.285 32.125 32.500 -0.150 0.000 0.714 367 K HN 0.451 nan 8.250 nan 0.000 0.443 368 S N 1.348 116.956 115.700 -0.152 0.000 2.359 368 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 368 S C 1.936 176.455 174.600 -0.135 0.000 1.035 368 S CA 1.197 59.309 58.200 -0.146 0.000 1.018 368 S CB -0.246 62.896 63.200 -0.097 0.000 0.876 368 S HN 0.198 nan 8.310 nan 0.000 0.448 369 L N 0.803 121.965 121.223 -0.103 0.000 2.217 369 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 369 L C 2.303 179.124 176.870 -0.080 0.000 1.107 369 L CA 0.578 55.374 54.840 -0.074 0.000 0.783 369 L CB -0.351 41.679 42.059 -0.049 0.000 0.919 369 L HN 0.293 nan 8.230 nan 0.000 0.442 370 L N -0.035 121.120 121.223 -0.113 0.000 2.056 370 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 370 L C 2.559 179.336 176.870 -0.154 0.000 1.078 370 L CA 1.469 56.247 54.840 -0.103 0.000 0.749 370 L CB -0.104 41.891 42.059 -0.107 0.000 0.901 370 L HN 0.265 nan 8.230 nan 0.000 0.433 371 K N -0.388 119.826 120.400 -0.310 0.000 2.057 371 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 371 K C 1.928 178.430 176.600 -0.163 0.000 1.049 371 K CA 1.338 57.298 56.287 -0.546 0.000 0.931 371 K CB -0.263 31.676 32.500 -0.935 0.000 0.714 371 K HN 0.140 nan 8.250 nan 0.000 0.440 372 L N 1.938 123.101 121.223 -0.100 0.000 2.083 372 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 372 L C 2.447 179.337 176.870 0.033 0.000 1.083 372 L CA 1.771 56.609 54.840 -0.004 0.000 0.752 372 L CB -0.411 41.640 42.059 -0.013 0.000 0.899 372 L HN 0.236 nan 8.230 nan 0.000 0.433 373 Q N -1.785 118.027 119.800 0.019 0.000 2.163 373 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 373 Q C 2.079 178.128 176.000 0.081 0.000 0.954 373 Q CA 1.368 57.202 55.803 0.052 0.000 0.851 373 Q CB -0.682 28.084 28.738 0.046 0.000 0.928 373 Q HN 0.397 nan 8.270 nan 0.000 0.459 374 L N 1.217 122.477 121.223 0.063 0.000 2.141 374 L HA 0.073 4.413 4.340 -0.000 0.000 0.209 374 L C 2.202 179.122 176.870 0.084 0.000 1.094 374 L CA 2.096 56.968 54.840 0.055 0.000 0.763 374 L CB -0.932 41.142 42.059 0.024 0.000 0.908 374 L HN 0.457 nan 8.230 nan 0.000 0.437 375 G N -1.743 107.151 108.800 0.157 0.000 2.434 375 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 375 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 375 G C 1.409 176.400 174.900 0.151 0.000 1.202 375 G CA 0.434 45.639 45.100 0.175 0.000 0.788 375 G HN 0.445 nan 8.290 nan 0.000 0.539 376 Q N -0.370 119.505 119.800 0.125 0.000 2.376 376 Q HA 0.014 4.354 4.340 -0.000 0.000 0.211 376 Q C 2.436 178.514 176.000 0.131 0.000 0.986 376 Q CA 0.548 56.416 55.803 0.108 0.000 0.886 376 Q CB -0.130 28.659 28.738 0.084 0.000 0.927 376 Q HN 0.450 nan 8.270 nan 0.000 0.457 377 L N -1.519 119.817 121.223 0.189 0.000 2.116 377 L HA -0.089 4.251 4.340 -0.000 0.000 0.200 377 L C 1.794 178.826 176.870 0.271 0.000 1.084 377 L CA 0.751 55.730 54.840 0.232 0.000 0.766 377 L CB -0.231 42.017 42.059 0.315 0.000 0.930 377 L HN 0.229 nan 8.230 nan 0.000 0.453 378 Y N 0.645 120.982 120.300 0.061 0.000 2.403 378 Y HA -0.200 4.350 4.550 0.000 0.000 0.291 378 Y C 0.702 176.611 175.900 0.015 0.000 1.143 378 Y CA 0.448 58.571 58.100 0.037 0.000 1.257 378 Y CB 0.141 38.626 38.460 0.042 0.000 0.984 378 Y HN 0.357 nan 8.280 nan 0.000 0.550 379 E N -0.587 119.716 120.200 0.171 0.000 3.386 379 E HA 0.298 4.648 4.350 -0.000 0.000 0.236 379 E C -0.780 175.859 176.600 0.065 0.000 1.227 379 E CA -0.322 56.130 56.400 0.088 0.000 0.970 379 E CB 1.041 30.781 29.700 0.068 0.000 1.343 379 E HN -0.091 nan 8.360 nan 0.000 0.397 380 S N 0.598 116.329 115.700 0.053 0.000 2.730 380 S HA 0.575 5.045 4.470 -0.000 0.000 0.284 380 S C 0.932 175.546 174.600 0.023 0.000 1.153 380 S CA -0.094 58.130 58.200 0.040 0.000 0.995 380 S CB 1.159 64.383 63.200 0.040 0.000 1.058 380 S HN 0.540 nan 8.310 nan 0.000 0.552 381 G N 1.754 110.564 108.800 0.015 0.000 3.424 381 G HA2 0.164 4.124 3.960 -0.000 0.000 0.263 381 G HA3 0.164 4.124 3.960 -0.000 0.000 0.263 381 G C -0.084 174.817 174.900 0.002 0.000 1.310 381 G CA -0.205 44.898 45.100 0.004 0.000 1.089 381 G HN 0.526 nan 8.290 nan 0.000 0.534 382 N N -0.056 118.649 118.700 0.008 0.000 2.519 382 N HA 0.337 5.077 4.740 -0.000 0.000 0.286 382 N C -2.255 173.258 175.510 0.005 0.000 1.079 382 N CA -1.903 51.152 53.050 0.008 0.000 0.878 382 N CB 2.725 41.218 38.487 0.011 0.000 1.375 382 N HN -0.234 nan 8.380 nan 0.000 0.514 383 P HA -0.096 nan 4.420 nan 0.000 0.221 383 P C 1.466 178.761 177.300 -0.009 0.000 1.150 383 P CA 0.698 63.797 63.100 -0.001 0.000 0.800 383 P CB 0.355 32.061 31.700 0.010 0.000 0.787 384 V N -2.458 117.456 119.914 0.000 0.000 2.515 384 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 384 V C 1.641 177.728 176.094 -0.012 0.000 1.058 384 V CA 1.950 64.250 62.300 -0.000 0.000 1.064 384 V CB -1.717 30.116 31.823 0.017 0.000 0.675 384 V HN 0.074 nan 8.190 nan 0.000 0.461 385 N N 0.484 119.177 118.700 -0.011 0.000 2.171 385 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 385 N C 1.609 177.084 175.510 -0.058 0.000 1.021 385 N CA 1.351 54.391 53.050 -0.017 0.000 0.854 385 N CB -0.231 38.256 38.487 0.000 0.000 0.994 385 N HN 0.543 nan 8.380 nan 0.000 0.426 386 D N 1.148 121.511 120.400 -0.061 0.000 2.123 386 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 386 D C 1.971 178.197 176.300 -0.123 0.000 0.992 386 D CA 0.898 54.839 54.000 -0.098 0.000 0.833 386 D CB -0.112 40.648 40.800 -0.066 0.000 0.954 386 D HN 0.272 nan 8.370 nan 0.000 0.455 387 A N 1.287 124.050 122.820 -0.095 0.000 1.877 387 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 387 A C 2.016 179.504 177.584 -0.159 0.000 1.186 387 A CA 1.776 53.746 52.037 -0.112 0.000 0.620 387 A CB -0.890 18.064 19.000 -0.078 0.000 0.822 387 A HN 0.213 nan 8.150 nan 0.000 0.443 388 N N -0.102 118.517 118.700 -0.134 0.000 2.104 388 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 388 N C 1.616 176.965 175.510 -0.268 0.000 1.024 388 N CA 1.562 54.510 53.050 -0.170 0.000 0.853 388 N CB -0.325 38.146 38.487 -0.027 0.000 1.008 388 N HN 0.478 nan 8.380 nan 0.000 0.424 389 L N 0.320 121.410 121.223 -0.222 0.000 2.056 389 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 389 L C 2.276 178.960 176.870 -0.311 0.000 1.078 389 L CA 0.804 55.472 54.840 -0.286 0.000 0.749 389 L CB -0.472 41.355 42.059 -0.388 0.000 0.901 389 L HN 0.272 nan 8.230 nan 0.000 0.433 390 L N -0.197 120.863 121.223 -0.272 0.000 2.005 390 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 390 L C 2.526 179.253 176.870 -0.237 0.000 1.072 390 L CA 1.636 56.339 54.840 -0.228 0.000 0.744 390 L CB -0.694 41.257 42.059 -0.179 0.000 0.895 390 L HN 0.273 nan 8.230 nan 0.000 0.433 391 G N -0.717 107.920 108.800 -0.272 0.000 2.491 391 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 391 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 391 G C 1.627 176.291 174.900 -0.394 0.000 1.180 391 G CA 0.901 45.815 45.100 -0.310 0.000 0.774 391 G HN 0.577 nan 8.290 nan 0.000 0.562 392 A N 0.307 122.773 122.820 -0.590 0.000 1.940 392 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 392 A C 2.206 179.622 177.584 -0.280 0.000 1.176 392 A CA 1.966 53.616 52.037 -0.644 0.000 0.631 392 A CB -0.360 18.170 19.000 -0.784 0.000 0.814 392 A HN 0.444 nan 8.150 nan 0.000 0.446 393 E N -0.304 119.760 120.200 -0.226 0.000 2.046 393 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 393 E C 2.203 178.735 176.600 -0.114 0.000 0.982 393 E CA 1.668 57.983 56.400 -0.142 0.000 0.800 393 E CB -0.274 29.350 29.700 -0.126 0.000 0.756 393 E HN 0.601 nan 8.360 nan 0.000 0.449 394 V N -0.533 119.305 119.914 -0.127 0.000 2.594 394 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 394 V C 2.238 178.286 176.094 -0.076 0.000 1.069 394 V CA 1.247 63.489 62.300 -0.097 0.000 1.082 394 V CB -0.711 31.048 31.823 -0.106 0.000 0.680 394 V HN 0.145 nan 8.190 nan 0.000 0.469 395 L N -0.649 120.522 121.223 -0.088 0.000 2.201 395 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 395 L C 2.437 179.301 176.870 -0.010 0.000 1.105 395 L CA 1.561 56.374 54.840 -0.044 0.000 0.775 395 L CB -0.219 41.816 42.059 -0.039 0.000 0.913 395 L HN 0.314 nan 8.230 nan 0.000 0.440 396 I N -0.619 119.940 120.570 -0.018 0.000 2.628 396 I HA -0.141 4.029 4.170 -0.000 0.000 0.255 396 I C 1.837 177.951 176.117 -0.006 0.000 1.119 396 I CA 0.810 62.112 61.300 0.003 0.000 1.448 396 I CB -0.003 38.002 38.000 0.008 0.000 1.133 396 I HN 0.189 nan 8.210 nan 0.000 0.438 397 K N 0.815 121.200 120.400 -0.025 0.000 2.387 397 K HA 0.416 4.736 4.320 -0.000 0.000 0.203 397 K C 1.182 177.769 176.600 -0.022 0.000 1.030 397 K CA 0.599 56.872 56.287 -0.022 0.000 1.099 397 K CB 1.051 33.531 32.500 -0.033 0.000 0.863 397 K HN 0.226 nan 8.250 nan 0.000 0.529 398 G N 1.649 110.433 108.800 -0.027 0.000 2.189 398 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.267 398 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.267 398 G C 0.099 174.977 174.900 -0.037 0.000 0.975 398 G CA 0.708 45.791 45.100 -0.028 0.000 0.644 398 G HN 0.738 nan 8.290 nan 0.000 0.537 399 S N -2.022 113.653 115.700 -0.042 0.000 2.661 399 S HA 0.720 5.190 4.470 -0.000 0.000 0.268 399 S C -1.092 173.481 174.600 -0.047 0.000 1.162 399 S CA -0.132 58.042 58.200 -0.044 0.000 0.817 399 S CB 2.263 65.445 63.200 -0.030 0.000 1.141 399 S HN 0.861 nan 8.310 nan 0.000 0.477 400 K N 0.615 120.991 120.400 -0.040 0.000 2.376 400 K HA 0.578 4.898 4.320 -0.000 0.000 0.257 400 K C -1.566 175.043 176.600 0.015 0.000 0.939 400 K CA -0.911 55.362 56.287 -0.024 0.000 0.809 400 K CB 1.450 33.921 32.500 -0.048 0.000 1.121 400 K HN 0.624 nan 8.250 nan 0.000 0.425 401 L N 4.174 125.431 121.223 0.057 0.000 2.360 401 L HA 0.146 4.486 4.340 -0.000 0.000 0.276 401 L C -0.232 176.701 176.870 0.106 0.000 1.121 401 L CA 0.538 55.426 54.840 0.080 0.000 0.845 401 L CB 0.893 43.026 42.059 0.123 0.000 1.143 401 L HN 0.744 nan 8.230 nan 0.000 0.452 402 S N 4.111 119.837 115.700 0.044 0.000 2.568 402 S HA 0.034 4.504 4.470 -0.000 0.000 0.282 402 S C 1.185 175.775 174.600 -0.017 0.000 1.338 402 S CA -0.563 57.648 58.200 0.018 0.000 1.045 402 S CB 0.648 63.828 63.200 -0.033 0.000 0.873 402 S HN 0.722 nan 8.310 nan 0.000 0.516 403 L N 3.302 124.497 121.223 -0.047 0.000 2.081 403 L HA 0.026 4.366 4.340 -0.000 0.000 0.212 403 L C 2.322 178.916 176.870 -0.459 0.000 1.080 403 L CA 2.450 57.152 54.840 -0.229 0.000 0.754 403 L CB -1.372 40.541 42.059 -0.244 0.000 0.893 403 L HN 0.990 nan 8.230 nan 0.000 0.433 404 G N -1.834 106.746 108.800 -0.366 0.000 2.448 404 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 404 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 404 G C 1.495 176.288 174.900 -0.177 0.000 1.135 404 G CA 0.331 45.219 45.100 -0.354 0.000 0.784 404 G HN 0.354 nan 8.290 nan 0.000 0.543 405 E N 0.713 120.843 120.200 -0.117 0.000 2.152 405 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 405 E C 2.868 179.416 176.600 -0.086 0.000 0.983 405 E CA 0.813 57.173 56.400 -0.066 0.000 0.818 405 E CB -0.157 29.525 29.700 -0.030 0.000 0.758 405 E HN 0.338 nan 8.360 nan 0.000 0.467 406 A N 0.844 123.610 122.820 -0.090 0.000 1.858 406 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 406 A C 1.943 179.422 177.584 -0.175 0.000 1.190 406 A CA 1.133 53.036 52.037 -0.224 0.000 0.617 406 A CB -0.857 18.118 19.000 -0.042 0.000 0.827 406 A HN 0.159 nan 8.150 nan 0.000 0.443 407 F N 0.614 120.399 119.950 -0.276 0.000 2.192 407 F HA -0.169 4.358 4.527 0.000 0.000 0.301 407 F C 2.232 177.911 175.800 -0.201 0.000 1.079 407 F CA 1.368 59.239 58.000 -0.216 0.000 1.303 407 F CB -0.626 38.290 39.000 -0.140 0.000 1.024 407 F HN 0.236 nan 8.300 nan 0.000 0.494 408 K N 0.131 120.540 120.400 0.014 0.000 2.057 408 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 408 K C 2.044 178.584 176.600 -0.101 0.000 1.050 408 K CA 1.211 57.475 56.287 -0.039 0.000 0.935 408 K CB -0.165 32.312 32.500 -0.038 0.000 0.715 408 K HN 0.237 nan 8.250 nan 0.000 0.439 409 K N 0.682 120.968 120.400 -0.190 0.000 2.062 409 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 409 K C 2.131 178.579 176.600 -0.254 0.000 1.051 409 K CA 0.982 57.127 56.287 -0.237 0.000 0.941 409 K CB -0.061 32.212 32.500 -0.378 0.000 0.719 409 K HN 0.092 nan 8.250 nan 0.000 0.440 410 I N 1.537 121.898 120.570 -0.348 0.000 2.179 410 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 410 I C 1.710 177.724 176.117 -0.172 0.000 1.088 410 I CA 1.242 62.382 61.300 -0.266 0.000 1.357 410 I CB -0.275 37.534 38.000 -0.318 0.000 1.051 410 I HN 0.136 nan 8.210 nan 0.000 0.409 411 D N 0.967 121.276 120.400 -0.150 0.000 2.263 411 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 411 D C 2.019 178.271 176.300 -0.079 0.000 0.971 411 D CA 1.184 55.120 54.000 -0.107 0.000 0.867 411 D CB 0.088 40.840 40.800 -0.079 0.000 0.929 411 D HN 0.350 nan 8.370 nan 0.000 0.492 412 A N 0.253 123.028 122.820 -0.076 0.000 2.208 412 A HA 0.071 4.391 4.320 -0.000 0.000 0.209 412 A C 1.174 178.731 177.584 -0.045 0.000 1.161 412 A CA -0.151 51.855 52.037 -0.052 0.000 0.782 412 A CB -0.193 18.781 19.000 -0.043 0.000 0.816 412 A HN 0.122 nan 8.150 nan 0.000 0.477 413 I N 2.134 122.670 120.570 -0.057 0.000 2.533 413 I HA 0.118 4.288 4.170 -0.000 0.000 0.284 413 I C 0.879 176.969 176.117 -0.046 0.000 1.109 413 I CA 0.011 61.282 61.300 -0.048 0.000 1.412 413 I CB 1.016 38.978 38.000 -0.063 0.000 1.396 413 I HN 0.304 nan 8.210 nan 0.000 0.543 414 T N 1.996 116.531 114.554 -0.033 0.000 2.948 414 T HA 0.329 4.679 4.350 -0.000 0.000 0.285 414 T C 1.040 175.723 174.700 -0.028 0.000 1.019 414 T CA -0.887 61.195 62.100 -0.030 0.000 1.013 414 T CB 1.900 70.757 68.868 -0.020 0.000 1.117 414 T HN 0.223 nan 8.240 nan 0.000 0.533 415 V N 1.035 120.933 119.914 -0.026 0.000 2.392 415 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 415 V C 2.843 178.931 176.094 -0.011 0.000 1.059 415 V CA 1.897 64.184 62.300 -0.022 0.000 1.051 415 V CB -0.811 30.999 31.823 -0.021 0.000 0.658 415 V HN 0.944 nan 8.190 nan 0.000 0.455 416 K N -0.438 119.956 120.400 -0.010 0.000 2.147 416 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 416 K C 1.804 178.410 176.600 0.009 0.000 1.049 416 K CA 1.609 57.893 56.287 -0.005 0.000 0.936 416 K CB -0.132 32.364 32.500 -0.007 0.000 0.722 416 K HN 0.521 nan 8.250 nan 0.000 0.446 417 D N -0.018 120.389 120.400 0.011 0.000 2.084 417 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 417 D C 1.953 178.291 176.300 0.063 0.000 0.985 417 D CA 1.006 55.024 54.000 0.030 0.000 0.826 417 D CB -0.365 40.441 40.800 0.010 0.000 0.978 417 D HN -0.040 nan 8.370 nan 0.000 0.456 418 V N 1.468 121.402 119.914 0.034 0.000 2.324 418 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 418 V C 2.360 178.535 176.094 0.136 0.000 1.060 418 V CA 1.655 63.996 62.300 0.069 0.000 1.042 418 V CB -0.411 31.414 31.823 0.004 0.000 0.650 418 V HN 0.193 nan 8.190 nan 0.000 0.450 419 K N 0.021 120.459 120.400 0.064 0.000 2.057 419 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 419 K C 2.311 178.921 176.600 0.016 0.000 1.050 419 K CA 1.432 57.736 56.287 0.028 0.000 0.935 419 K CB -0.388 32.104 32.500 -0.014 0.000 0.715 419 K HN 0.487 nan 8.250 nan 0.000 0.439 420 A N 0.539 123.382 122.820 0.039 0.000 1.930 420 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 420 A C 1.888 179.501 177.584 0.049 0.000 1.175 420 A CA 1.102 53.154 52.037 0.025 0.000 0.627 420 A CB -0.713 18.311 19.000 0.039 0.000 0.815 420 A HN 0.585 nan 8.150 nan 0.000 0.443 421 W N 0.605 121.860 121.300 -0.075 0.000 2.378 421 W HA -0.032 4.628 4.660 0.000 0.000 0.313 421 W C 2.432 178.873 176.519 -0.129 0.000 1.197 421 W CA 2.048 59.336 57.345 -0.096 0.000 1.304 421 W CB -0.326 29.067 29.460 -0.112 0.000 1.148 421 W HN 0.310 nan 8.180 nan 0.000 0.494 422 A N 0.700 123.463 122.820 -0.095 0.000 1.908 422 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 422 A C 2.185 179.619 177.584 -0.250 0.000 1.181 422 A CA 1.931 53.777 52.037 -0.318 0.000 0.627 422 A CB -1.746 17.247 19.000 -0.010 0.000 0.818 422 A HN 0.460 nan 8.150 nan 0.000 0.445 423 G N -1.449 107.264 108.800 -0.146 0.000 2.535 423 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 423 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 423 G C 1.520 176.354 174.900 -0.110 0.000 1.122 423 G CA 1.378 46.407 45.100 -0.118 0.000 0.769 423 G HN 0.478 nan 8.290 nan 0.000 0.549 424 K N -0.809 119.462 120.400 -0.216 0.000 2.329 424 K HA 0.322 4.642 4.320 -0.000 0.000 0.198 424 K C 2.313 178.729 176.600 -0.308 0.000 1.085 424 K CA 0.218 56.378 56.287 -0.211 0.000 0.961 424 K CB 0.208 32.589 32.500 -0.198 0.000 0.971 424 K HN -0.005 nan 8.250 nan 0.000 0.502 425 R N -0.777 119.372 120.500 -0.585 0.000 2.175 425 R HA 0.284 4.624 4.340 -0.000 0.000 0.202 425 R C 1.279 177.266 176.300 -0.521 0.000 1.018 425 R CA 0.614 56.312 56.100 -0.670 0.000 1.029 425 R CB 0.093 29.665 30.300 -1.214 0.000 0.959 425 R HN 0.048 nan 8.270 nan 0.000 0.480 426 L N -1.603 119.332 121.223 -0.480 0.000 2.362 426 L HA 0.199 4.539 4.340 -0.000 0.000 0.204 426 L C 0.219 177.072 176.870 -0.029 0.000 1.060 426 L CA 0.362 55.057 54.840 -0.242 0.000 0.827 426 L CB -0.404 41.494 42.059 -0.269 0.000 1.027 426 L HN 0.184 nan 8.230 nan 0.000 0.474 427 W N 2.629 123.830 121.300 -0.165 0.000 2.565 427 W HA 0.032 4.691 4.660 -0.000 0.000 0.325 427 W C 0.340 176.817 176.519 -0.069 0.000 1.408 427 W CA 0.430 57.721 57.345 -0.091 0.000 1.350 427 W CB 0.209 29.619 29.460 -0.084 0.000 1.426 427 W HN 0.381 nan 8.180 nan 0.000 0.538 428 D N 3.159 123.346 120.400 -0.355 0.000 2.689 428 D HA -0.213 4.427 4.640 -0.000 0.000 0.237 428 D C -0.567 175.691 176.300 -0.070 0.000 1.148 428 D CA 1.083 54.939 54.000 -0.240 0.000 0.656 428 D CB -0.650 40.043 40.800 -0.177 0.000 1.050 428 D HN 0.354 nan 8.370 nan 0.000 0.426 429 Q N 0.397 120.162 119.800 -0.059 0.000 2.348 429 Q HA 0.383 4.723 4.340 -0.000 0.000 0.271 429 Q C -0.075 175.948 176.000 0.039 0.000 1.067 429 Q CA -0.680 55.117 55.803 -0.011 0.000 0.839 429 Q CB 1.317 30.022 28.738 -0.054 0.000 1.354 429 Q HN 0.188 nan 8.270 nan 0.000 0.447 430 D N 1.384 121.856 120.400 0.120 0.000 2.378 430 D HA 0.242 4.882 4.640 -0.000 0.000 0.238 430 D C 0.323 176.808 176.300 0.310 0.000 1.180 430 D CA 0.295 54.444 54.000 0.249 0.000 0.895 430 D CB 0.586 41.593 40.800 0.345 0.000 1.192 430 D HN 0.431 nan 8.370 nan 0.000 0.438 431 I N -2.892 117.901 120.570 0.371 0.000 3.239 431 I HA 0.811 4.981 4.170 -0.000 0.000 0.314 431 I C -1.180 175.220 176.117 0.472 0.000 1.126 431 I CA -1.331 60.204 61.300 0.391 0.000 0.973 431 I CB 2.204 40.308 38.000 0.174 0.000 1.252 431 I HN 0.283 nan 8.210 nan 0.000 0.463 432 A N 3.294 126.364 122.820 0.417 0.000 2.371 432 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 432 A C -0.956 176.759 177.584 0.218 0.000 1.068 432 A CA -0.584 51.594 52.037 0.236 0.000 0.744 432 A CB 1.276 20.325 19.000 0.081 0.000 1.239 432 A HN 0.682 nan 8.150 nan 0.000 0.435 433 I N 0.872 121.549 120.570 0.178 0.000 2.730 433 I HA 0.758 4.928 4.170 -0.000 0.000 0.298 433 I C 0.098 176.276 176.117 0.102 0.000 1.089 433 I CA -0.697 60.688 61.300 0.141 0.000 1.041 433 I CB 2.410 40.493 38.000 0.138 0.000 1.235 433 I HN 0.800 nan 8.210 nan 0.000 0.423 434 A N 3.180 126.052 122.820 0.086 0.000 2.520 434 A HA 0.953 5.273 4.320 -0.000 0.000 0.298 434 A C -0.762 176.854 177.584 0.053 0.000 1.051 434 A CA -0.436 51.642 52.037 0.068 0.000 0.690 434 A CB 1.958 21.017 19.000 0.099 0.000 1.281 434 A HN 0.948 nan 8.150 nan 0.000 0.402 435 G N -0.612 108.204 108.800 0.027 0.000 2.673 435 G HA2 0.735 4.695 3.960 -0.000 0.000 0.292 435 G HA3 0.735 4.695 3.960 -0.000 0.000 0.292 435 G C -1.011 173.904 174.900 0.025 0.000 1.450 435 G CA 0.315 45.443 45.100 0.046 0.000 0.837 435 G HN 1.286 nan 8.290 nan 0.000 0.505 436 T N -1.572 113.036 114.554 0.090 0.000 2.816 436 T HA 0.842 5.192 4.350 -0.000 0.000 0.299 436 T C 0.521 175.326 174.700 0.174 0.000 1.230 436 T CA 1.332 63.468 62.100 0.060 0.000 1.007 436 T CB 1.213 70.066 68.868 -0.026 0.000 1.289 436 T HN 2.688 nan 8.240 nan 0.000 0.508 437 G N 1.688 110.551 108.800 0.106 0.000 2.508 437 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.220 437 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.220 437 G C -0.555 174.374 174.900 0.047 0.000 1.287 437 G CA -0.096 45.089 45.100 0.142 0.000 0.916 437 G HN 0.888 nan 8.290 nan 0.000 0.574 438 Q N 0.984 120.789 119.800 0.009 0.000 3.004 438 Q HA 0.355 4.695 4.340 -0.000 0.000 0.256 438 Q C 1.360 177.346 176.000 -0.023 0.000 1.387 438 Q CA 0.336 56.129 55.803 -0.017 0.000 0.962 438 Q CB -0.448 28.268 28.738 -0.037 0.000 1.676 438 Q HN 0.629 nan 8.270 nan 0.000 0.568 439 I N -2.430 118.135 120.570 -0.009 0.000 3.864 439 I HA 0.122 4.292 4.170 -0.000 0.000 0.326 439 I C 1.360 177.468 176.117 -0.015 0.000 1.444 439 I CA -0.084 61.209 61.300 -0.011 0.000 1.195 439 I CB -0.016 37.985 38.000 0.003 0.000 1.124 439 I HN 0.342 nan 8.210 nan 0.000 0.407 440 E N 2.453 122.642 120.200 -0.018 0.000 2.153 440 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 440 E C 2.150 178.734 176.600 -0.026 0.000 0.988 440 E CA 1.394 57.782 56.400 -0.020 0.000 0.811 440 E CB -0.049 29.640 29.700 -0.020 0.000 0.746 440 E HN 0.680 nan 8.360 nan 0.000 0.466 441 G N 0.852 109.634 108.800 -0.031 0.000 2.744 441 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.211 441 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.211 441 G C 0.465 175.340 174.900 -0.042 0.000 1.143 441 G CA -0.254 44.822 45.100 -0.039 0.000 0.788 441 G HN 0.196 nan 8.290 nan 0.000 0.534 442 L N 1.855 123.059 121.223 -0.032 0.000 2.325 442 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 442 L C 0.049 176.901 176.870 -0.030 0.000 1.089 442 L CA -0.805 54.017 54.840 -0.030 0.000 0.836 442 L CB 0.392 42.442 42.059 -0.016 0.000 1.184 442 L HN -0.163 nan 8.230 nan 0.000 0.444 443 L N 4.106 125.303 121.223 -0.044 0.000 2.461 443 L HA 0.103 4.443 4.340 -0.000 0.000 0.259 443 L C 0.689 177.546 176.870 -0.022 0.000 1.248 443 L CA 0.169 54.983 54.840 -0.043 0.000 0.823 443 L CB -0.174 41.846 42.059 -0.066 0.000 1.111 443 L HN 0.774 nan 8.230 nan 0.000 0.516 444 D N -0.654 119.740 120.400 -0.011 0.000 2.364 444 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 444 D C 1.023 177.348 176.300 0.043 0.000 1.221 444 D CA -0.133 53.884 54.000 0.029 0.000 0.891 444 D CB 0.342 41.159 40.800 0.028 0.000 1.190 444 D HN 0.520 nan 8.370 nan 0.000 0.449 445 Y N 0.481 120.768 120.300 -0.023 0.000 2.053 445 Y HA -0.286 4.264 4.550 -0.000 0.000 0.277 445 Y C 2.594 178.480 175.900 -0.023 0.000 1.159 445 Y CA 2.006 60.096 58.100 -0.017 0.000 1.125 445 Y CB -0.129 38.323 38.460 -0.013 0.000 0.969 445 Y HN 0.187 nan 8.280 nan 0.000 0.492 446 M N -0.047 119.628 119.600 0.126 0.000 2.195 446 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 446 M C 2.086 178.338 176.300 -0.080 0.000 1.066 446 M CA 1.544 56.859 55.300 0.026 0.000 1.089 446 M CB -1.058 31.581 32.600 0.064 0.000 1.377 446 M HN 0.276 nan 8.290 nan 0.000 0.411 447 R N 0.163 120.614 120.500 -0.083 0.000 2.092 447 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 447 R C 2.039 178.250 176.300 -0.147 0.000 1.119 447 R CA 1.049 57.087 56.100 -0.104 0.000 0.970 447 R CB -0.467 29.779 30.300 -0.090 0.000 0.864 447 R HN 0.340 nan 8.270 nan 0.000 0.440 448 I N 0.303 120.758 120.570 -0.191 0.000 2.233 448 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 448 I C 2.400 178.351 176.117 -0.276 0.000 1.093 448 I CA 0.976 62.138 61.300 -0.231 0.000 1.380 448 I CB -1.073 36.774 38.000 -0.256 0.000 1.067 448 I HN 0.029 nan 8.210 nan 0.000 0.413 449 R N 1.696 121.972 120.500 -0.374 0.000 2.105 449 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 449 R C 2.272 178.448 176.300 -0.206 0.000 1.135 449 R CA 1.885 57.792 56.100 -0.322 0.000 0.967 449 R CB -0.711 29.366 30.300 -0.373 0.000 0.861 449 R HN 0.221 nan 8.270 nan 0.000 0.442 450 S N 0.598 116.193 115.700 -0.174 0.000 2.399 450 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 450 S C 0.927 175.414 174.600 -0.188 0.000 1.022 450 S CA 1.316 59.423 58.200 -0.154 0.000 0.983 450 S CB -0.246 62.884 63.200 -0.116 0.000 0.803 450 S HN 0.389 nan 8.310 nan 0.000 0.480 451 D N 0.890 121.177 120.400 -0.190 0.000 2.378 451 D HA 0.074 4.714 4.640 -0.000 0.000 0.227 451 D C 0.918 177.057 176.300 -0.268 0.000 1.012 451 D CA 0.344 54.221 54.000 -0.206 0.000 0.905 451 D CB -0.066 40.624 40.800 -0.183 0.000 0.895 451 D HN 0.252 nan 8.370 nan 0.000 0.532 452 M N 0.074 119.508 119.600 -0.278 0.000 2.691 452 M HA 0.048 4.528 4.480 -0.000 0.000 0.227 452 M C 0.532 176.485 176.300 -0.578 0.000 1.120 452 M CA 0.226 55.349 55.300 -0.295 0.000 1.034 452 M CB -1.061 31.416 32.600 -0.207 0.000 1.675 452 M HN -0.076 nan 8.290 nan 0.000 0.514 453 S N -1.180 114.115 115.700 -0.676 0.000 2.703 453 S HA 0.804 5.274 4.470 -0.000 0.000 0.273 453 S C -0.710 173.520 174.600 -0.617 0.000 1.178 453 S CA -1.067 56.408 58.200 -1.209 0.000 0.838 453 S CB 2.342 64.734 63.200 -1.347 0.000 1.178 453 S HN 0.199 nan 8.310 nan 0.000 0.494 454 M N 1.047 120.388 119.600 -0.433 0.000 2.550 454 M HA 0.482 4.962 4.480 -0.000 0.000 0.292 454 M C -0.968 175.387 176.300 0.092 0.000 1.221 454 M CA -0.783 54.500 55.300 -0.029 0.000 0.873 454 M CB 2.202 34.898 32.600 0.159 0.000 1.727 454 M HN 0.554 nan 8.290 nan 0.000 0.459 455 M N 2.532 122.173 119.600 0.070 0.000 2.238 455 M HA 0.398 4.878 4.480 -0.000 0.000 0.347 455 M C -0.187 176.193 176.300 0.133 0.000 1.173 455 M CA 0.485 55.834 55.300 0.081 0.000 1.147 455 M CB 0.169 32.801 32.600 0.053 0.000 1.547 455 M HN 0.692 nan 8.290 nan 0.000 0.455 456 R N 1.405 121.985 120.500 0.133 0.000 2.710 456 R HA 0.466 4.806 4.340 -0.000 0.000 0.270 456 R C -1.079 175.317 176.300 0.162 0.000 1.021 456 R CA -0.945 55.254 56.100 0.165 0.000 0.889 456 R CB 1.576 31.976 30.300 0.167 0.000 1.243 456 R HN 0.709 nan 8.270 nan 0.000 0.464 457 W N 0.000 121.321 121.300 0.036 0.000 2.388 457 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 457 W CA 0.000 57.360 57.345 0.025 0.000 1.226 457 W CB 0.000 29.471 29.460 0.018 0.000 1.126 457 W HN 0.000 nan 8.180 nan 0.000 0.535