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 3cxh_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 0.000 177.552 177.584 -0.053 0.000 1.274 27 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 27 A CB 0.000 18.948 19.000 -0.086 0.000 0.831 28 E N 0.857 121.037 120.200 -0.033 0.000 2.180 28 E HA 0.333 4.683 4.350 -0.000 0.000 0.283 28 E C -0.238 176.334 176.600 -0.047 0.000 1.061 28 E CA -0.453 55.931 56.400 -0.027 0.000 0.861 28 E CB 1.716 31.419 29.700 0.005 0.000 1.056 28 E HN 0.306 nan 8.360 nan 0.000 0.407 29 V N 4.524 124.407 119.914 -0.053 0.000 2.352 29 V HA 0.053 4.173 4.120 -0.000 0.000 0.253 29 V C 0.288 176.338 176.094 -0.074 0.000 1.083 29 V CA -0.125 62.135 62.300 -0.066 0.000 0.993 29 V CB -0.330 31.459 31.823 -0.056 0.000 1.111 29 V HN 0.654 nan 8.190 nan 0.000 0.490 30 T N 2.606 117.078 114.554 -0.137 0.000 2.791 30 T HA 0.656 5.006 4.350 -0.000 0.000 0.288 30 T C -0.701 173.828 174.700 -0.285 0.000 0.999 30 T CA -0.673 61.295 62.100 -0.219 0.000 0.952 30 T CB 1.769 70.396 68.868 -0.402 0.000 0.938 30 T HN 0.611 nan 8.240 nan 0.000 0.444 31 Q N 3.438 123.198 119.800 -0.067 0.000 2.315 31 Q HA 0.687 5.027 4.340 -0.000 0.000 0.273 31 Q C -2.059 174.029 176.000 0.147 0.000 1.053 31 Q CA -0.954 54.857 55.803 0.013 0.000 0.817 31 Q CB 1.913 30.643 28.738 -0.013 0.000 1.326 31 Q HN 0.795 nan 8.270 nan 0.000 0.423 32 L N 1.548 122.870 121.223 0.166 0.000 2.445 32 L HA 0.602 4.942 4.340 -0.000 0.000 0.262 32 L C -0.943 175.965 176.870 0.064 0.000 0.974 32 L CA -0.755 54.155 54.840 0.116 0.000 0.822 32 L CB 2.563 44.684 42.059 0.103 0.000 1.339 32 L HN 0.575 nan 8.230 nan 0.000 0.409 33 S N 1.061 116.782 115.700 0.035 0.000 2.521 33 S HA 0.615 5.085 4.470 -0.000 0.000 0.295 33 S C -0.413 174.195 174.600 0.013 0.000 1.098 33 S CA -0.469 57.745 58.200 0.023 0.000 0.999 33 S CB 1.075 64.286 63.200 0.018 0.000 1.034 33 S HN 0.835 nan 8.310 nan 0.000 0.483 34 N N 1.999 120.705 118.700 0.011 0.000 2.162 34 N HA 0.370 5.110 4.740 -0.000 0.000 0.232 34 N C 0.596 176.111 175.510 0.008 0.000 1.361 34 N CA 0.040 53.094 53.050 0.006 0.000 0.786 34 N CB 0.810 39.298 38.487 0.002 0.000 1.290 34 N HN 0.795 nan 8.380 nan 0.000 0.505 35 G N 0.586 109.393 108.800 0.011 0.000 3.736 35 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.196 35 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.196 35 G C -0.674 174.235 174.900 0.015 0.000 1.811 35 G CA -0.378 44.729 45.100 0.011 0.000 1.175 35 G HN 0.140 nan 8.290 nan 0.000 0.429 36 I N 2.068 122.648 120.570 0.018 0.000 2.396 36 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 36 I C 0.301 176.430 176.117 0.020 0.000 0.999 36 I CA -0.818 60.494 61.300 0.020 0.000 1.310 36 I CB 2.015 40.029 38.000 0.023 0.000 1.404 36 I HN 0.118 nan 8.210 nan 0.000 0.496 37 V N 8.347 128.270 119.914 0.015 0.000 2.334 37 V HA 0.305 4.425 4.120 -0.000 0.000 0.267 37 V C -0.094 176.009 176.094 0.015 0.000 1.040 37 V CA -0.265 62.045 62.300 0.016 0.000 0.866 37 V CB 1.199 33.026 31.823 0.006 0.000 1.019 37 V HN 0.446 nan 8.190 nan 0.000 0.468 38 V N 6.701 126.641 119.914 0.043 0.000 2.509 38 V HA 0.828 4.948 4.120 -0.000 0.000 0.284 38 V C 0.532 176.645 176.094 0.031 0.000 1.047 38 V CA 0.135 62.471 62.300 0.060 0.000 0.952 38 V CB 1.216 33.118 31.823 0.131 0.000 0.988 38 V HN 1.116 nan 8.190 nan 0.000 0.469 39 A N 3.579 126.384 122.820 -0.025 0.000 2.381 39 A HA 0.883 5.203 4.320 -0.000 0.000 0.299 39 A C -0.151 177.363 177.584 -0.117 0.000 1.049 39 A CA -0.332 51.647 52.037 -0.097 0.000 0.715 39 A CB 1.798 20.752 19.000 -0.078 0.000 1.222 39 A HN 0.948 nan 8.150 nan 0.000 0.428 40 T N -0.961 113.467 114.554 -0.211 0.000 2.887 40 T HA 0.818 5.168 4.350 -0.000 0.000 0.292 40 T C -0.780 173.851 174.700 -0.116 0.000 1.087 40 T CA -0.651 61.364 62.100 -0.143 0.000 1.009 40 T CB 2.069 70.856 68.868 -0.134 0.000 1.203 40 T HN 0.650 nan 8.240 nan 0.000 0.518 41 E N 0.406 120.582 120.200 -0.040 0.000 2.466 41 E HA 0.233 4.582 4.350 -0.000 0.000 0.308 41 E C -1.670 174.952 176.600 0.037 0.000 0.933 41 E CA -0.510 55.882 56.400 -0.013 0.000 0.800 41 E CB 0.905 30.591 29.700 -0.024 0.000 1.434 41 E HN 0.812 nan 8.360 nan 0.000 0.389 42 H N 2.978 122.032 119.070 -0.028 0.000 2.683 42 H HA 0.357 4.913 4.556 -0.000 0.000 0.339 42 H C -0.865 174.461 175.328 -0.003 0.000 1.081 42 H CA 0.271 56.314 56.048 -0.009 0.000 1.432 42 H CB 0.760 30.521 29.762 -0.002 0.000 1.462 42 H HN 0.304 nan 8.280 nan 0.000 0.557 43 N N 6.632 124.917 118.700 -0.690 0.000 2.577 43 N HA 0.190 4.930 4.740 -0.000 0.000 0.275 43 N C -2.159 173.005 175.510 -0.576 0.000 1.091 43 N CA -2.205 50.555 53.050 -0.484 0.000 0.843 43 N CB 1.491 39.863 38.487 -0.193 0.000 1.295 43 N HN 0.383 nan 8.380 nan 0.000 0.530 44 P HA -0.157 nan 4.420 nan 0.000 0.214 44 P C -0.062 177.201 177.300 -0.063 0.000 1.169 44 P CA 1.227 64.221 63.100 -0.176 0.000 0.908 44 P CB -0.112 31.566 31.700 -0.035 0.000 0.791 45 S N -0.971 114.706 115.700 -0.037 0.000 2.422 45 S HA 0.608 5.078 4.470 -0.000 0.000 0.283 45 S C 0.522 175.153 174.600 0.052 0.000 1.163 45 S CA -0.056 58.170 58.200 0.044 0.000 1.054 45 S CB 1.059 64.276 63.200 0.028 0.000 0.967 45 S HN 0.370 nan 8.310 nan 0.000 0.499 46 A N 2.329 125.251 122.820 0.169 0.000 1.554 46 A HA 0.437 4.757 4.320 -0.000 0.000 0.198 46 A C 0.717 178.472 177.584 0.285 0.000 1.649 46 A CA 0.507 52.626 52.037 0.137 0.000 1.362 46 A CB -0.508 18.514 19.000 0.037 0.000 1.254 46 A HN 0.993 nan 8.150 nan 0.000 0.492 47 H N -0.375 118.691 119.070 -0.008 0.000 4.251 47 H HA -0.141 4.415 4.556 -0.000 0.000 0.125 47 H C 0.494 175.824 175.328 0.002 0.000 0.689 47 H CA 1.985 58.033 56.048 -0.000 0.000 1.244 47 H CB -1.935 27.826 29.762 -0.002 0.000 0.672 47 H HN 1.146 nan 8.280 nan 0.000 0.576 48 T N -2.411 112.208 114.554 0.108 0.000 2.838 48 T HA 0.932 5.282 4.350 -0.000 0.000 0.292 48 T C -0.510 174.215 174.700 0.043 0.000 1.113 48 T CA -0.349 61.786 62.100 0.059 0.000 1.008 48 T CB 2.934 71.831 68.868 0.048 0.000 1.259 48 T HN 0.857 nan 8.240 nan 0.000 0.520 49 A N 0.335 123.175 122.820 0.033 0.000 2.539 49 A HA 0.839 5.159 4.320 -0.000 0.000 0.296 49 A C -0.731 176.869 177.584 0.027 0.000 1.073 49 A CA -0.842 51.215 52.037 0.033 0.000 0.700 49 A CB 1.791 20.814 19.000 0.039 0.000 1.296 49 A HN 0.883 nan 8.150 nan 0.000 0.405 50 S N -0.193 115.523 115.700 0.028 0.000 2.614 50 S HA 0.669 5.139 4.470 -0.000 0.000 0.288 50 S C -1.046 173.574 174.600 0.033 0.000 1.137 50 S CA -0.427 57.790 58.200 0.028 0.000 0.992 50 S CB 1.628 64.843 63.200 0.024 0.000 1.026 50 S HN 0.828 nan 8.310 nan 0.000 0.486 51 V N 2.000 121.940 119.914 0.043 0.000 2.735 51 V HA 1.008 5.128 4.120 -0.000 0.000 0.310 51 V C 0.444 176.577 176.094 0.064 0.000 1.061 51 V CA -0.257 62.072 62.300 0.048 0.000 0.913 51 V CB 1.847 33.704 31.823 0.057 0.000 1.005 51 V HN 1.069 nan 8.190 nan 0.000 0.428 52 G N 1.538 110.366 108.800 0.046 0.000 2.430 52 G HA2 0.539 4.499 3.960 -0.000 0.000 0.300 52 G HA3 0.539 4.499 3.960 -0.000 0.000 0.300 52 G C -2.114 172.775 174.900 -0.018 0.000 1.330 52 G CA -0.278 44.853 45.100 0.052 0.000 0.813 52 G HN 0.813 nan 8.290 nan 0.000 0.487 53 V N -0.207 119.667 119.914 -0.066 0.000 2.540 53 V HA 0.752 4.872 4.120 -0.000 0.000 0.302 53 V C -0.850 175.001 176.094 -0.405 0.000 1.035 53 V CA -0.631 61.501 62.300 -0.280 0.000 0.873 53 V CB 1.617 33.185 31.823 -0.424 0.000 0.992 53 V HN 0.772 nan 8.190 nan 0.000 0.428 54 V N 7.649 127.312 119.914 -0.418 0.000 2.409 54 V HA 0.524 4.644 4.120 -0.000 0.000 0.291 54 V C -0.515 175.393 176.094 -0.310 0.000 1.020 54 V CA -0.443 61.692 62.300 -0.274 0.000 0.848 54 V CB 1.345 33.083 31.823 -0.142 0.000 0.990 54 V HN 0.747 nan 8.190 nan 0.000 0.430 55 F N 1.779 121.791 119.950 0.104 0.000 2.404 55 F HA 0.525 5.052 4.527 -0.000 0.000 0.339 55 F C 1.447 177.344 175.800 0.161 0.000 1.105 55 F CA -0.539 57.523 58.000 0.104 0.000 1.087 55 F CB 1.514 40.590 39.000 0.127 0.000 1.143 55 F HN 0.579 nan 8.300 nan 0.000 0.491 56 G N 1.534 110.520 108.800 0.309 0.000 3.375 56 G HA2 0.212 4.172 3.960 -0.000 0.000 0.247 56 G HA3 0.212 4.172 3.960 -0.000 0.000 0.247 56 G C -0.256 174.772 174.900 0.213 0.000 1.343 56 G CA 0.045 45.284 45.100 0.230 0.000 1.368 56 G HN 0.443 nan 8.290 nan 0.000 0.549 57 S N -1.746 114.099 115.700 0.242 0.000 2.549 57 S HA 0.829 5.299 4.470 -0.000 0.000 0.280 57 S C 0.270 174.961 174.600 0.152 0.000 1.109 57 S CA -0.139 58.129 58.200 0.113 0.000 0.905 57 S CB 2.309 65.460 63.200 -0.083 0.000 1.081 57 S HN 0.558 nan 8.310 nan 0.000 0.477 58 G N 0.425 109.266 108.800 0.068 0.000 2.976 58 G HA2 0.624 4.584 3.960 -0.000 0.000 0.276 58 G HA3 0.624 4.584 3.960 -0.000 0.000 0.276 58 G C 0.605 175.497 174.900 -0.013 0.000 1.207 58 G CA 0.021 45.136 45.100 0.024 0.000 0.803 58 G HN 0.770 nan 8.290 nan 0.000 0.572 59 A N -0.643 122.122 122.820 -0.092 0.000 2.070 59 A HA 0.289 4.609 4.320 -0.000 0.000 0.220 59 A C 2.455 179.981 177.584 -0.097 0.000 1.159 59 A CA 2.562 54.530 52.037 -0.114 0.000 0.656 59 A CB -0.686 18.217 19.000 -0.162 0.000 0.800 59 A HN 1.501 nan 8.150 nan 0.000 0.453 60 A N -0.179 122.582 122.820 -0.098 0.000 2.119 60 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 60 A C 1.496 179.056 177.584 -0.040 0.000 1.152 60 A CA 0.924 52.906 52.037 -0.092 0.000 0.708 60 A CB -0.322 18.608 19.000 -0.117 0.000 0.805 60 A HN 0.556 nan 8.150 nan 0.000 0.460 61 N N 0.481 119.167 118.700 -0.024 0.000 2.314 61 N HA 0.058 4.798 4.740 -0.000 0.000 0.200 61 N C -0.170 175.383 175.510 0.071 0.000 1.135 61 N CA 0.216 53.256 53.050 -0.017 0.000 0.835 61 N CB 0.440 38.820 38.487 -0.178 0.000 0.989 61 N HN 0.661 nan 8.380 nan 0.000 0.478 62 E N 0.611 120.851 120.200 0.067 0.000 2.405 62 E HA 0.270 4.620 4.350 -0.000 0.000 0.249 62 E C -0.419 176.214 176.600 0.054 0.000 1.028 62 E CA -0.804 55.653 56.400 0.094 0.000 0.897 62 E CB 0.832 30.533 29.700 0.002 0.000 1.262 62 E HN 0.241 nan 8.360 nan 0.000 0.442 63 N N -1.520 117.211 118.700 0.052 0.000 2.469 63 N HA 0.298 5.038 4.740 -0.000 0.000 0.286 63 N C -2.614 172.855 175.510 -0.068 0.000 1.275 63 N CA -1.591 51.476 53.050 0.028 0.000 0.790 63 N CB 1.108 39.661 38.487 0.110 0.000 1.446 63 N HN -0.055 nan 8.380 nan 0.000 0.501 64 P HA -0.144 nan 4.420 nan 0.000 0.218 64 P C 0.083 177.033 177.300 -0.584 0.000 1.146 64 P CA 1.442 64.256 63.100 -0.477 0.000 0.813 64 P CB -0.101 31.140 31.700 -0.765 0.000 0.778 65 Y N -1.147 119.158 120.300 0.008 0.000 2.503 65 Y HA 0.078 4.627 4.550 -0.000 0.000 0.278 65 Y C 1.756 177.660 175.900 0.006 0.000 1.111 65 Y CA 0.607 58.712 58.100 0.008 0.000 1.270 65 Y CB -0.895 37.574 38.460 0.014 0.000 1.063 65 Y HN 0.123 nan 8.280 nan 0.000 0.548 66 N N -0.580 118.186 118.700 0.111 0.000 2.203 66 N HA -0.004 4.736 4.740 -0.000 0.000 0.207 66 N C -0.086 175.410 175.510 -0.024 0.000 1.130 66 N CA -0.279 52.808 53.050 0.061 0.000 0.861 66 N CB -0.085 38.459 38.487 0.095 0.000 1.005 66 N HN -0.036 nan 8.380 nan 0.000 0.507 67 N N 1.063 119.734 118.700 -0.048 0.000 2.374 67 N HA 0.112 4.852 4.740 -0.000 0.000 0.269 67 N C 1.038 176.487 175.510 -0.101 0.000 1.310 67 N CA 1.824 54.818 53.050 -0.093 0.000 0.877 67 N CB 0.183 38.602 38.487 -0.113 0.000 1.096 67 N HN 0.492 nan 8.380 nan 0.000 0.484 68 G N 1.509 110.229 108.800 -0.133 0.000 2.192 68 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.193 68 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.193 68 G C 0.766 175.584 174.900 -0.136 0.000 0.999 68 G CA 0.102 45.125 45.100 -0.129 0.000 0.659 68 G HN 0.616 nan 8.290 nan 0.000 0.503 69 V N 1.039 120.841 119.914 -0.187 0.000 2.358 69 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 69 V C 2.651 178.628 176.094 -0.195 0.000 1.047 69 V CA 3.399 65.570 62.300 -0.214 0.000 1.035 69 V CB -0.259 31.372 31.823 -0.319 0.000 0.658 69 V HN 0.424 nan 8.190 nan 0.000 0.452 70 S N 0.569 116.073 115.700 -0.328 0.000 2.356 70 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 70 S C 1.861 176.514 174.600 0.089 0.000 1.032 70 S CA 1.815 59.962 58.200 -0.089 0.000 1.005 70 S CB -0.645 62.481 63.200 -0.122 0.000 0.867 70 S HN 0.751 nan 8.310 nan 0.000 0.449 71 N N 1.310 119.993 118.700 -0.029 0.000 2.149 71 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 71 N C 1.568 177.092 175.510 0.023 0.000 1.019 71 N CA 0.761 53.795 53.050 -0.027 0.000 0.857 71 N CB -0.472 37.956 38.487 -0.100 0.000 0.997 71 N HN 0.195 nan 8.380 nan 0.000 0.426 72 L N -0.646 120.575 121.223 -0.004 0.000 2.017 72 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 72 L C 1.817 178.721 176.870 0.056 0.000 1.073 72 L CA 1.524 56.334 54.840 -0.050 0.000 0.745 72 L CB -1.149 40.832 42.059 -0.130 0.000 0.894 72 L HN 0.311 nan 8.230 nan 0.000 0.432 73 W N 0.414 121.821 121.300 0.179 0.000 2.338 73 W HA -0.252 4.408 4.660 -0.000 0.000 0.304 73 W C 2.754 179.552 176.519 0.466 0.000 1.212 73 W CA 1.898 59.466 57.345 0.372 0.000 1.264 73 W CB -0.132 29.654 29.460 0.543 0.000 1.142 73 W HN 0.134 nan 8.180 nan 0.000 0.512 74 K N 0.365 121.117 120.400 0.587 0.000 2.032 74 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 74 K C 1.636 178.455 176.600 0.365 0.000 1.048 74 K CA 1.802 58.331 56.287 0.404 0.000 0.927 74 K CB -0.611 31.965 32.500 0.126 0.000 0.712 74 K HN 0.152 nan 8.250 nan 0.000 0.441 75 N N 1.140 119.973 118.700 0.222 0.000 2.331 75 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 75 N C 1.966 177.564 175.510 0.147 0.000 1.019 75 N CA 1.397 54.529 53.050 0.137 0.000 0.881 75 N CB -0.042 38.461 38.487 0.027 0.000 0.972 75 N HN 0.487 nan 8.380 nan 0.000 0.435 76 I N -2.383 118.299 120.570 0.187 0.000 2.617 76 I HA -0.038 4.132 4.170 -0.000 0.000 0.256 76 I C 2.029 178.308 176.117 0.269 0.000 1.167 76 I CA 0.693 62.084 61.300 0.151 0.000 1.469 76 I CB -0.501 37.534 38.000 0.058 0.000 1.098 76 I HN -0.180 nan 8.210 nan 0.000 0.436 77 F N 2.155 122.279 119.950 0.290 0.000 2.407 77 F HA 0.123 4.649 4.527 -0.000 0.000 0.299 77 F C 1.543 177.476 175.800 0.221 0.000 1.097 77 F CA 1.282 59.464 58.000 0.305 0.000 1.422 77 F CB 0.127 39.430 39.000 0.504 0.000 1.067 77 F HN -0.022 nan 8.300 nan 0.000 0.539 78 L N -0.459 120.892 121.223 0.212 0.000 2.769 78 L HA 0.194 4.534 4.340 -0.000 0.000 0.240 78 L C 1.006 177.894 176.870 0.029 0.000 1.163 78 L CA -0.273 54.614 54.840 0.079 0.000 0.962 78 L CB -0.303 41.844 42.059 0.145 0.000 1.258 78 L HN -0.054 nan 8.230 nan 0.000 0.513 79 S N 0.525 116.244 115.700 0.032 0.000 2.568 79 S HA -0.041 4.429 4.470 -0.000 0.000 0.282 79 S C 1.453 176.052 174.600 -0.003 0.000 1.338 79 S CA -0.064 58.145 58.200 0.014 0.000 1.045 79 S CB 1.014 64.226 63.200 0.021 0.000 0.873 79 S HN 0.348 nan 8.310 nan 0.000 0.516 80 K N 2.810 123.208 120.400 -0.003 0.000 2.089 80 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 80 K C 1.692 178.291 176.600 -0.001 0.000 1.048 80 K CA 2.282 58.566 56.287 -0.005 0.000 0.926 80 K CB -0.231 32.266 32.500 -0.005 0.000 0.714 80 K HN 0.797 nan 8.250 nan 0.000 0.448 81 E N 0.252 120.454 120.200 0.003 0.000 2.023 81 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 81 E C 1.903 178.512 176.600 0.015 0.000 1.003 81 E CA 1.350 57.755 56.400 0.008 0.000 0.809 81 E CB -0.258 29.447 29.700 0.008 0.000 0.755 81 E HN 0.303 nan 8.360 nan 0.000 0.449 82 N N 0.043 118.748 118.700 0.009 0.000 2.520 82 N HA -0.045 4.695 4.740 -0.000 0.000 0.185 82 N C 1.274 176.835 175.510 0.085 0.000 1.068 82 N CA 0.644 53.710 53.050 0.026 0.000 0.911 82 N CB 0.150 38.612 38.487 -0.041 0.000 0.961 82 N HN -0.064 nan 8.380 nan 0.000 0.446 83 S N -0.904 114.803 115.700 0.011 0.000 2.456 83 S HA 0.238 4.708 4.470 -0.000 0.000 0.224 83 S C 1.856 176.444 174.600 -0.019 0.000 1.035 83 S CA 0.397 58.578 58.200 -0.032 0.000 0.940 83 S CB -0.008 63.161 63.200 -0.051 0.000 0.799 83 S HN 0.493 nan 8.310 nan 0.000 0.508 84 A N 1.352 124.175 122.820 0.005 0.000 1.933 84 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 84 A C 2.206 179.805 177.584 0.026 0.000 1.175 84 A CA 1.386 53.427 52.037 0.006 0.000 0.628 84 A CB -0.839 18.167 19.000 0.009 0.000 0.814 84 A HN 0.327 nan 8.150 nan 0.000 0.444 85 V N -0.158 119.799 119.914 0.072 0.000 2.261 85 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 85 V C 3.059 179.238 176.094 0.142 0.000 1.047 85 V CA 2.044 64.423 62.300 0.131 0.000 1.015 85 V CB -1.298 30.639 31.823 0.191 0.000 0.642 85 V HN 0.602 nan 8.190 nan 0.000 0.446 86 A N -0.222 122.655 122.820 0.094 0.000 1.972 86 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 86 A C 2.374 179.853 177.584 -0.175 0.000 1.169 86 A CA 1.987 53.859 52.037 -0.275 0.000 0.635 86 A CB -0.670 17.827 19.000 -0.839 0.000 0.810 86 A HN 0.584 nan 8.150 nan 0.000 0.446 87 A N -0.010 122.752 122.820 -0.096 0.000 1.898 87 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 87 A C 2.066 179.627 177.584 -0.039 0.000 1.181 87 A CA 1.780 53.777 52.037 -0.068 0.000 0.620 87 A CB -0.404 18.569 19.000 -0.045 0.000 0.819 87 A HN 0.511 nan 8.150 nan 0.000 0.442 88 K N -0.623 119.767 120.400 -0.016 0.000 2.147 88 K HA -0.146 4.173 4.320 -0.000 0.000 0.205 88 K C 1.745 178.344 176.600 -0.002 0.000 1.049 88 K CA 1.497 57.783 56.287 -0.002 0.000 0.936 88 K CB -0.020 32.488 32.500 0.013 0.000 0.722 88 K HN 0.446 nan 8.250 nan 0.000 0.446 89 E N -0.322 119.874 120.200 -0.006 0.000 2.489 89 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 89 E C 0.245 176.828 176.600 -0.028 0.000 1.057 89 E CA 0.418 56.816 56.400 -0.004 0.000 0.866 89 E CB 0.341 30.051 29.700 0.016 0.000 0.916 89 E HN 0.342 nan 8.360 nan 0.000 0.500 90 G N 0.680 109.455 108.800 -0.042 0.000 2.256 90 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.272 90 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.272 90 G C -0.599 174.261 174.900 -0.068 0.000 1.076 90 G CA 0.360 45.433 45.100 -0.044 0.000 0.882 90 G HN 0.117 nan 8.290 nan 0.000 0.497 91 L N -0.072 121.080 121.223 -0.118 0.000 2.362 91 L HA 0.918 5.258 4.340 -0.000 0.000 0.271 91 L C 0.399 177.157 176.870 -0.186 0.000 1.002 91 L CA -0.691 54.046 54.840 -0.172 0.000 0.818 91 L CB 1.928 43.808 42.059 -0.298 0.000 1.298 91 L HN 0.655 nan 8.230 nan 0.000 0.420 92 A N 3.619 126.355 122.820 -0.141 0.000 2.337 92 A HA 0.853 5.173 4.320 -0.000 0.000 0.329 92 A C -0.961 176.563 177.584 -0.100 0.000 1.146 92 A CA -0.507 51.466 52.037 -0.107 0.000 0.800 92 A CB 0.749 19.718 19.000 -0.052 0.000 1.220 92 A HN 0.629 nan 8.150 nan 0.000 0.472 93 L N 1.667 122.842 121.223 -0.081 0.000 2.309 93 L HA 0.602 4.941 4.340 -0.000 0.000 0.282 93 L C 0.015 176.960 176.870 0.125 0.000 1.036 93 L CA -0.253 54.595 54.840 0.012 0.000 0.806 93 L CB 1.836 43.834 42.059 -0.103 0.000 1.220 93 L HN 0.678 nan 8.230 nan 0.000 0.429 94 S N 1.159 117.006 115.700 0.244 0.000 2.541 94 S HA 0.643 5.113 4.470 -0.000 0.000 0.280 94 S C -0.964 173.735 174.600 0.166 0.000 1.112 94 S CA -0.620 57.680 58.200 0.168 0.000 0.925 94 S CB 2.152 65.403 63.200 0.085 0.000 1.067 94 S HN 0.561 nan 8.310 nan 0.000 0.479 95 S N 2.167 117.898 115.700 0.052 0.000 2.566 95 S HA 0.509 4.979 4.470 -0.000 0.000 0.273 95 S C -1.797 172.713 174.600 -0.150 0.000 1.157 95 S CA -0.768 57.343 58.200 -0.149 0.000 0.938 95 S CB 0.810 63.936 63.200 -0.123 0.000 1.087 95 S HN 0.774 nan 8.310 nan 0.000 0.474 96 N N 5.252 123.820 118.700 -0.219 0.000 2.448 96 N HA 0.357 5.097 4.740 -0.000 0.000 0.279 96 N C -1.348 174.023 175.510 -0.231 0.000 1.025 96 N CA -0.539 52.414 53.050 -0.161 0.000 0.898 96 N CB 0.739 39.188 38.487 -0.065 0.000 1.303 96 N HN 0.478 nan 8.380 nan 0.000 0.495 97 I N 2.427 122.865 120.570 -0.220 0.000 2.307 97 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 97 I C 0.774 176.704 176.117 -0.311 0.000 1.021 97 I CA -0.100 61.061 61.300 -0.231 0.000 1.224 97 I CB 0.432 38.343 38.000 -0.148 0.000 1.376 97 I HN 0.454 nan 8.210 nan 0.000 0.470 98 S N 5.899 121.312 115.700 -0.479 0.000 2.721 98 S HA 0.513 4.982 4.470 -0.000 0.000 0.296 98 S C 1.245 175.637 174.600 -0.348 0.000 1.093 98 S CA -0.408 57.481 58.200 -0.518 0.000 0.959 98 S CB 1.602 64.165 63.200 -1.061 0.000 1.301 98 S HN 0.621 nan 8.310 nan 0.000 0.550 99 R N -0.263 120.085 120.500 -0.252 0.000 2.090 99 R HA 0.168 4.508 4.340 -0.000 0.000 0.219 99 R C 0.410 176.659 176.300 -0.084 0.000 1.100 99 R CA 1.099 57.086 56.100 -0.188 0.000 0.991 99 R CB -0.126 30.001 30.300 -0.288 0.000 0.893 99 R HN 0.555 nan 8.270 nan 0.000 0.443 100 D N -0.643 119.782 120.400 0.041 0.000 2.369 100 D HA 0.096 4.736 4.640 -0.000 0.000 0.211 100 D C -0.053 176.423 176.300 0.293 0.000 1.077 100 D CA 0.350 54.456 54.000 0.176 0.000 0.842 100 D CB 0.567 41.540 40.800 0.289 0.000 0.947 100 D HN 0.078 nan 8.370 nan 0.000 0.509 101 F N -0.989 119.004 119.950 0.072 0.000 2.779 101 F HA 0.559 5.086 4.527 -0.000 0.000 0.316 101 F C -1.693 174.162 175.800 0.092 0.000 1.164 101 F CA -1.116 56.939 58.000 0.091 0.000 0.924 101 F CB 1.188 40.230 39.000 0.070 0.000 1.348 101 F HN -0.412 nan 8.300 nan 0.000 0.467 102 Q N 0.951 120.949 119.800 0.329 0.000 2.416 102 Q HA 0.664 5.004 4.340 -0.000 0.000 0.281 102 Q C -1.632 174.484 176.000 0.193 0.000 1.067 102 Q CA -1.180 54.722 55.803 0.165 0.000 0.809 102 Q CB 2.710 31.652 28.738 0.341 0.000 1.418 102 Q HN 0.928 nan 8.270 nan 0.000 0.411 103 S N 0.423 116.045 115.700 -0.130 0.000 2.546 103 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 103 S C -1.715 172.503 174.600 -0.637 0.000 1.121 103 S CA -0.562 57.534 58.200 -0.173 0.000 0.887 103 S CB 1.034 64.239 63.200 0.008 0.000 1.094 103 S HN 0.537 nan 8.310 nan 0.000 0.474 104 Y N 1.344 121.536 120.300 -0.180 0.000 2.333 104 Y HA 0.583 5.132 4.550 -0.000 0.000 0.324 104 Y C -0.452 175.367 175.900 -0.136 0.000 1.033 104 Y CA -0.775 57.091 58.100 -0.391 0.000 1.224 104 Y CB 1.203 39.226 38.460 -0.728 0.000 1.120 104 Y HN 0.661 nan 8.280 nan 0.000 0.457 105 I N 3.404 124.037 120.570 0.105 0.000 2.530 105 I HA 0.643 4.812 4.170 -0.000 0.000 0.297 105 I C -0.849 175.393 176.117 0.209 0.000 1.011 105 I CA -1.313 60.071 61.300 0.139 0.000 1.107 105 I CB 2.119 40.161 38.000 0.069 0.000 1.285 105 I HN 0.178 nan 8.210 nan 0.000 0.436 106 V N 3.972 123.975 119.914 0.147 0.000 2.487 106 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 106 V C -0.163 175.946 176.094 0.025 0.000 1.028 106 V CA -0.383 61.960 62.300 0.072 0.000 0.860 106 V CB 1.756 33.617 31.823 0.062 0.000 0.991 106 V HN 0.768 nan 8.190 nan 0.000 0.427 107 S N 2.892 118.586 115.700 -0.010 0.000 2.593 107 S HA 0.924 5.394 4.470 -0.000 0.000 0.297 107 S C -0.117 174.467 174.600 -0.027 0.000 1.112 107 S CA -0.479 57.717 58.200 -0.007 0.000 1.043 107 S CB 1.898 65.097 63.200 -0.002 0.000 1.054 107 S HN 1.083 nan 8.310 nan 0.000 0.516 108 S N 1.189 116.884 115.700 -0.009 0.000 2.703 108 S HA 0.572 5.042 4.470 -0.000 0.000 0.273 108 S C -1.386 173.218 174.600 0.006 0.000 1.178 108 S CA -0.970 57.224 58.200 -0.011 0.000 0.838 108 S CB 0.127 63.320 63.200 -0.012 0.000 1.178 108 S HN 0.341 nan 8.310 nan 0.000 0.494 109 L N 2.232 123.458 121.223 0.006 0.000 2.472 109 L HA 0.385 4.724 4.340 -0.000 0.000 0.260 109 L C -0.983 175.896 176.870 0.015 0.000 1.209 109 L CA -1.699 53.149 54.840 0.012 0.000 0.817 109 L CB -0.498 41.565 42.059 0.007 0.000 1.106 109 L HN 0.608 nan 8.230 nan 0.000 0.479 110 P HA -0.114 nan 4.420 nan 0.000 0.221 110 P C 1.123 178.433 177.300 0.017 0.000 1.145 110 P CA 1.395 64.506 63.100 0.018 0.000 0.795 110 P CB 0.358 32.062 31.700 0.006 0.000 0.775 111 G N -0.335 108.471 108.800 0.010 0.000 2.510 111 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.212 111 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.212 111 G C 1.340 176.248 174.900 0.014 0.000 1.151 111 G CA 0.099 45.205 45.100 0.010 0.000 0.817 111 G HN 0.195 nan 8.290 nan 0.000 0.534 112 S N 0.887 116.594 115.700 0.013 0.000 2.803 112 S HA -0.014 4.455 4.470 -0.000 0.000 0.226 112 S C 2.173 176.786 174.600 0.022 0.000 0.962 112 S CA 0.881 59.090 58.200 0.015 0.000 0.968 112 S CB -0.293 62.912 63.200 0.008 0.000 0.786 112 S HN 0.525 nan 8.310 nan 0.000 0.527 113 T N 2.135 116.704 114.554 0.026 0.000 2.778 113 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 113 T C 1.347 176.072 174.700 0.041 0.000 1.050 113 T CA 1.681 63.801 62.100 0.034 0.000 1.137 113 T CB -0.353 68.537 68.868 0.036 0.000 0.860 113 T HN 0.448 nan 8.240 nan 0.000 0.468 114 D N 0.333 120.756 120.400 0.037 0.000 2.149 114 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 114 D C 2.152 178.485 176.300 0.055 0.000 0.972 114 D CA 1.017 55.042 54.000 0.042 0.000 0.835 114 D CB -0.055 40.764 40.800 0.033 0.000 0.966 114 D HN 0.381 nan 8.370 nan 0.000 0.476 115 K N 0.917 121.348 120.400 0.051 0.000 2.147 115 K HA -0.025 4.294 4.320 -0.000 0.000 0.205 115 K C 2.239 178.898 176.600 0.099 0.000 1.049 115 K CA 0.486 56.814 56.287 0.067 0.000 0.936 115 K CB -0.281 32.246 32.500 0.045 0.000 0.722 115 K HN -0.094 nan 8.250 nan 0.000 0.446 116 S N 0.867 116.613 115.700 0.077 0.000 2.356 116 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 116 S C 1.832 176.523 174.600 0.152 0.000 1.032 116 S CA 1.163 59.421 58.200 0.097 0.000 1.005 116 S CB -0.335 62.904 63.200 0.064 0.000 0.867 116 S HN 0.158 nan 8.310 nan 0.000 0.449 117 L N 1.429 122.720 121.223 0.113 0.000 2.083 117 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 117 L C 2.043 178.981 176.870 0.114 0.000 1.083 117 L CA 1.031 55.935 54.840 0.108 0.000 0.752 117 L CB -0.643 41.462 42.059 0.076 0.000 0.899 117 L HN 0.185 nan 8.230 nan 0.000 0.433 118 D N -0.536 119.932 120.400 0.114 0.000 2.178 118 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 118 D C 1.936 178.299 176.300 0.106 0.000 0.980 118 D CA 1.195 55.252 54.000 0.095 0.000 0.842 118 D CB -0.096 40.758 40.800 0.090 0.000 0.948 118 D HN 0.219 nan 8.370 nan 0.000 0.472 119 F N 0.646 120.607 119.950 0.019 0.000 2.163 119 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 119 F C 2.027 177.834 175.800 0.010 0.000 1.094 119 F CA 0.602 58.605 58.000 0.005 0.000 1.290 119 F CB 0.103 39.105 39.000 0.004 0.000 1.017 119 F HN -0.130 nan 8.300 nan 0.000 0.483 120 L N 0.319 121.674 121.223 0.219 0.000 2.056 120 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 120 L C 2.133 179.046 176.870 0.072 0.000 1.078 120 L CA 1.486 56.416 54.840 0.149 0.000 0.749 120 L CB -1.873 40.300 42.059 0.191 0.000 0.901 120 L HN 0.225 nan 8.230 nan 0.000 0.433 121 N N -0.040 118.701 118.700 0.068 0.000 2.289 121 N HA -0.215 4.525 4.740 -0.000 0.000 0.184 121 N C 1.819 177.330 175.510 0.001 0.000 1.016 121 N CA 1.120 54.202 53.050 0.054 0.000 0.872 121 N CB 0.133 38.649 38.487 0.048 0.000 0.973 121 N HN 0.508 nan 8.380 nan 0.000 0.433 122 Q N -0.545 119.200 119.800 -0.091 0.000 2.036 122 Q HA 0.064 4.403 4.340 -0.000 0.000 0.195 122 Q C 1.607 177.483 176.000 -0.206 0.000 0.971 122 Q CA 1.082 56.783 55.803 -0.169 0.000 0.826 122 Q CB -0.113 28.444 28.738 -0.300 0.000 0.896 122 Q HN 0.216 nan 8.270 nan 0.000 0.449 123 S N -0.054 115.431 115.700 -0.358 0.000 2.442 123 S HA -0.054 4.416 4.470 -0.000 0.000 0.236 123 S C 0.846 175.256 174.600 -0.316 0.000 1.007 123 S CA 0.955 58.919 58.200 -0.394 0.000 0.965 123 S CB -0.081 62.820 63.200 -0.498 0.000 0.773 123 S HN 0.393 nan 8.310 nan 0.000 0.504 124 F N -0.624 119.337 119.950 0.018 0.000 2.683 124 F HA 0.475 5.002 4.527 -0.000 0.000 0.306 124 F C 1.034 176.846 175.800 0.019 0.000 1.102 124 F CA -0.210 57.794 58.000 0.008 0.000 1.244 124 F CB 0.523 39.504 39.000 -0.031 0.000 1.029 124 F HN 0.111 nan 8.300 nan 0.000 0.545 125 I N -2.043 118.620 120.570 0.155 0.000 5.007 125 I HA -0.051 4.119 4.170 -0.000 0.000 0.323 125 I C 1.753 177.905 176.117 0.060 0.000 1.195 125 I CA 0.208 61.569 61.300 0.101 0.000 1.407 125 I CB 0.319 38.368 38.000 0.080 0.000 1.544 125 I HN -0.038 nan 8.210 nan 0.000 0.505 126 Q N 1.503 121.318 119.800 0.025 0.000 2.178 126 Q HA 0.085 4.425 4.340 -0.000 0.000 0.197 126 Q C 1.354 177.356 176.000 0.004 0.000 0.998 126 Q CA 0.793 56.597 55.803 0.002 0.000 0.845 126 Q CB 0.129 28.848 28.738 -0.032 0.000 0.943 126 Q HN 0.333 nan 8.270 nan 0.000 0.514 127 Q N 1.129 120.909 119.800 -0.035 0.000 2.518 127 Q HA -0.097 4.242 4.340 -0.000 0.000 0.217 127 Q C 1.281 177.309 176.000 0.045 0.000 0.974 127 Q CA 0.199 55.988 55.803 -0.023 0.000 0.971 127 Q CB 0.158 28.841 28.738 -0.091 0.000 0.988 127 Q HN 0.119 nan 8.270 nan 0.000 0.536 128 K N 0.831 121.288 120.400 0.095 0.000 2.160 128 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 128 K C 1.557 178.271 176.600 0.190 0.000 1.047 128 K CA 1.583 57.990 56.287 0.200 0.000 0.930 128 K CB -0.093 32.531 32.500 0.207 0.000 0.720 128 K HN 0.257 nan 8.250 nan 0.000 0.450 129 A N 0.036 122.923 122.820 0.112 0.000 1.956 129 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 129 A C 1.723 179.344 177.584 0.062 0.000 1.188 129 A CA 0.777 52.863 52.037 0.082 0.000 0.675 129 A CB -0.315 18.717 19.000 0.054 0.000 0.845 129 A HN 0.319 nan 8.150 nan 0.000 0.455 130 N N 0.577 119.306 118.700 0.049 0.000 2.205 130 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 130 N C 1.576 177.113 175.510 0.045 0.000 1.015 130 N CA 1.290 54.360 53.050 0.033 0.000 0.862 130 N CB -0.319 38.175 38.487 0.012 0.000 0.986 130 N HN 0.490 nan 8.380 nan 0.000 0.429 131 L N 0.374 121.640 121.223 0.072 0.000 2.240 131 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 131 L C 1.545 178.463 176.870 0.081 0.000 1.106 131 L CA 0.536 55.428 54.840 0.088 0.000 0.793 131 L CB -0.132 42.020 42.059 0.155 0.000 0.927 131 L HN 0.053 nan 8.230 nan 0.000 0.446 132 L N 0.090 121.358 121.223 0.075 0.000 2.728 132 L HA 0.122 4.462 4.340 -0.000 0.000 0.235 132 L C 1.135 178.022 176.870 0.028 0.000 1.197 132 L CA -0.438 54.428 54.840 0.043 0.000 0.992 132 L CB -0.182 41.884 42.059 0.011 0.000 1.263 132 L HN 0.212 nan 8.230 nan 0.000 0.484 133 S N -1.955 113.774 115.700 0.048 0.000 2.584 133 S HA 0.087 4.557 4.470 -0.000 0.000 0.270 133 S C 1.372 176.007 174.600 0.058 0.000 1.346 133 S CA -0.394 57.827 58.200 0.035 0.000 1.018 133 S CB 1.572 64.792 63.200 0.033 0.000 0.899 133 S HN 0.175 nan 8.310 nan 0.000 0.542 134 S N 2.150 117.870 115.700 0.034 0.000 2.370 134 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 134 S C 2.165 176.816 174.600 0.086 0.000 1.033 134 S CA 1.613 59.846 58.200 0.055 0.000 1.011 134 S CB -0.713 62.501 63.200 0.023 0.000 0.852 134 S HN 0.781 nan 8.310 nan 0.000 0.457 135 S N 1.643 117.376 115.700 0.055 0.000 2.382 135 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 135 S C 1.802 176.430 174.600 0.047 0.000 1.027 135 S CA 1.103 59.329 58.200 0.044 0.000 0.991 135 S CB -0.413 62.803 63.200 0.027 0.000 0.823 135 S HN 0.480 nan 8.310 nan 0.000 0.469 136 N N 0.764 119.501 118.700 0.061 0.000 2.173 136 N HA 0.046 4.786 4.740 -0.000 0.000 0.184 136 N C 1.420 176.964 175.510 0.057 0.000 1.025 136 N CA 0.853 53.932 53.050 0.049 0.000 0.852 136 N CB -0.463 38.055 38.487 0.052 0.000 0.998 136 N HN 0.316 nan 8.380 nan 0.000 0.427 137 F N 1.986 121.907 119.950 -0.048 0.000 2.069 137 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 137 F C 2.199 177.967 175.800 -0.053 0.000 1.113 137 F CA 1.542 59.501 58.000 -0.069 0.000 1.214 137 F CB -0.198 38.754 39.000 -0.080 0.000 0.978 137 F HN 0.029 nan 8.300 nan 0.000 0.474 138 E N 0.516 120.788 120.200 0.120 0.000 2.118 138 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 138 E C 2.346 178.898 176.600 -0.080 0.000 0.992 138 E CA 1.209 57.619 56.400 0.016 0.000 0.804 138 E CB -0.845 28.900 29.700 0.076 0.000 0.741 138 E HN 0.526 nan 8.360 nan 0.000 0.458 139 A N 0.498 123.282 122.820 -0.059 0.000 1.897 139 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 139 A C 2.435 179.955 177.584 -0.107 0.000 1.181 139 A CA 1.867 53.866 52.037 -0.063 0.000 0.620 139 A CB -0.684 18.296 19.000 -0.033 0.000 0.821 139 A HN 0.236 nan 8.150 nan 0.000 0.443 140 T N -0.293 114.167 114.554 -0.157 0.000 2.777 140 T HA -0.101 4.248 4.350 -0.000 0.000 0.266 140 T C 2.010 176.554 174.700 -0.259 0.000 1.040 140 T CA 1.396 63.383 62.100 -0.187 0.000 1.141 140 T CB -0.153 68.591 68.868 -0.207 0.000 0.868 140 T HN 0.478 nan 8.240 nan 0.000 0.444 141 K N 1.374 121.526 120.400 -0.413 0.000 2.097 141 K HA -0.130 4.189 4.320 -0.000 0.000 0.206 141 K C 2.302 178.775 176.600 -0.211 0.000 1.049 141 K CA 1.371 57.414 56.287 -0.406 0.000 0.933 141 K CB -0.150 32.014 32.500 -0.561 0.000 0.717 141 K HN 0.240 nan 8.250 nan 0.000 0.442 142 K N 0.021 120.327 120.400 -0.158 0.000 2.155 142 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 142 K C 1.916 178.469 176.600 -0.079 0.000 1.052 142 K CA 1.266 57.497 56.287 -0.093 0.000 0.948 142 K CB 0.119 32.580 32.500 -0.067 0.000 0.728 142 K HN 0.013 nan 8.250 nan 0.000 0.448 143 S N 0.307 115.954 115.700 -0.089 0.000 2.362 143 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 143 S C 1.907 176.466 174.600 -0.069 0.000 1.032 143 S CA 1.174 59.333 58.200 -0.068 0.000 0.973 143 S CB -0.060 63.102 63.200 -0.062 0.000 0.849 143 S HN 0.379 nan 8.310 nan 0.000 0.465 144 V N 0.072 119.931 119.914 -0.092 0.000 2.759 144 V HA 0.007 4.127 4.120 -0.000 0.000 0.256 144 V C 1.983 178.029 176.094 -0.080 0.000 1.080 144 V CA 1.080 63.327 62.300 -0.090 0.000 1.101 144 V CB -0.778 30.979 31.823 -0.110 0.000 0.698 144 V HN 0.263 nan 8.190 nan 0.000 0.477 145 L N 0.583 121.759 121.223 -0.078 0.000 2.056 145 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 145 L C 2.605 179.453 176.870 -0.037 0.000 1.078 145 L CA 2.298 57.103 54.840 -0.058 0.000 0.749 145 L CB -0.836 41.188 42.059 -0.058 0.000 0.901 145 L HN 0.415 nan 8.230 nan 0.000 0.433 146 K N -1.401 118.977 120.400 -0.037 0.000 2.217 146 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 146 K C 1.995 178.585 176.600 -0.015 0.000 1.051 146 K CA 0.900 57.174 56.287 -0.023 0.000 0.952 146 K CB 0.103 32.589 32.500 -0.024 0.000 0.736 146 K HN 0.421 nan 8.250 nan 0.000 0.453 147 Q N 0.031 119.815 119.800 -0.027 0.000 1.993 147 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 147 Q C 2.063 178.064 176.000 0.001 0.000 0.984 147 Q CA 1.728 57.517 55.803 -0.023 0.000 0.837 147 Q CB -0.017 28.689 28.738 -0.053 0.000 0.902 147 Q HN 0.115 nan 8.270 nan 0.000 0.423 148 V N 1.067 120.967 119.914 -0.022 0.000 2.469 148 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 148 V C 2.249 178.397 176.094 0.090 0.000 1.064 148 V CA 1.939 64.244 62.300 0.009 0.000 1.066 148 V CB -0.575 31.224 31.823 -0.040 0.000 0.667 148 V HN 0.410 nan 8.190 nan 0.000 0.461 149 Q N -0.437 119.388 119.800 0.042 0.000 2.083 149 Q HA -0.216 4.124 4.340 -0.000 0.000 0.198 149 Q C 1.956 177.974 176.000 0.030 0.000 0.969 149 Q CA 1.678 57.502 55.803 0.035 0.000 0.838 149 Q CB -0.041 28.703 28.738 0.010 0.000 0.900 149 Q HN 0.602 nan 8.270 nan 0.000 0.436 150 D N -0.131 120.287 120.400 0.030 0.000 2.178 150 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 150 D C 1.508 177.807 176.300 -0.001 0.000 0.980 150 D CA 0.737 54.740 54.000 0.005 0.000 0.842 150 D CB -0.246 40.558 40.800 0.006 0.000 0.948 150 D HN 0.269 nan 8.370 nan 0.000 0.472 151 F N 1.683 121.572 119.950 -0.102 0.000 2.146 151 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 151 F C 2.167 177.877 175.800 -0.149 0.000 1.096 151 F CA 1.180 59.104 58.000 -0.127 0.000 1.275 151 F CB 0.123 39.063 39.000 -0.099 0.000 1.008 151 F HN -0.229 nan 8.300 nan 0.000 0.480 152 E N 0.133 120.305 120.200 -0.047 0.000 2.274 152 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 152 E C 1.485 177.968 176.600 -0.194 0.000 0.996 152 E CA 1.120 57.440 56.400 -0.135 0.000 0.840 152 E CB -0.270 29.461 29.700 0.052 0.000 0.772 152 E HN 0.384 nan 8.360 nan 0.000 0.491 153 D N -1.049 119.244 120.400 -0.177 0.000 2.277 153 D HA 0.071 4.710 4.640 -0.000 0.000 0.209 153 D C 0.888 177.018 176.300 -0.283 0.000 0.970 153 D CA 0.504 54.416 54.000 -0.147 0.000 0.874 153 D CB 0.290 41.048 40.800 -0.071 0.000 0.982 153 D HN 0.121 nan 8.370 nan 0.000 0.504 154 N N -0.392 118.042 118.700 -0.443 0.000 2.360 154 N HA -0.056 4.684 4.740 -0.000 0.000 0.211 154 N C -0.115 174.872 175.510 -0.872 0.000 1.147 154 N CA 0.018 52.720 53.050 -0.580 0.000 0.866 154 N CB 0.746 39.086 38.487 -0.245 0.000 1.206 154 N HN -0.046 nan 8.380 nan 0.000 0.478 155 D N 1.126 121.064 120.400 -0.770 0.000 2.619 155 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 155 D C 0.779 176.556 176.300 -0.871 0.000 1.133 155 D CA -0.180 53.401 54.000 -0.698 0.000 1.017 155 D CB -0.133 40.365 40.800 -0.505 0.000 1.077 155 D HN 0.244 nan 8.370 nan 0.000 0.503 156 H N 1.046 119.700 119.070 -0.693 0.000 2.319 156 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 156 H C -0.710 174.206 175.328 -0.688 0.000 1.092 156 H CA 1.705 57.220 56.048 -0.887 0.000 1.302 156 H CB -0.715 28.052 29.762 -1.659 0.000 1.373 156 H HN 0.399 nan 8.280 nan 0.000 0.497 157 P HA -0.130 nan 4.420 nan 0.000 0.216 157 P C 0.759 178.033 177.300 -0.044 0.000 1.153 157 P CA 1.420 64.451 63.100 -0.116 0.000 0.848 157 P CB 0.228 31.963 31.700 0.058 0.000 0.787 158 N N -0.130 118.522 118.700 -0.081 0.000 2.216 158 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 158 N C 2.070 177.620 175.510 0.066 0.000 1.017 158 N CA 0.675 53.762 53.050 0.062 0.000 0.861 158 N CB -0.532 38.102 38.487 0.245 0.000 0.986 158 N HN 0.207 nan 8.380 nan 0.000 0.428 159 R N 1.216 121.548 120.500 -0.279 0.000 2.091 159 R HA -0.057 4.282 4.340 -0.000 0.000 0.238 159 R C 1.819 178.217 176.300 0.163 0.000 1.136 159 R CA 1.180 57.155 56.100 -0.208 0.000 0.959 159 R CB -0.230 29.782 30.300 -0.480 0.000 0.856 159 R HN -0.071 nan 8.270 nan 0.000 0.437 160 V N 1.249 121.200 119.914 0.063 0.000 2.358 160 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 160 V C 2.269 178.480 176.094 0.196 0.000 1.047 160 V CA 1.410 63.789 62.300 0.132 0.000 1.035 160 V CB -0.463 31.415 31.823 0.092 0.000 0.658 160 V HN 0.345 nan 8.190 nan 0.000 0.452 161 L N 0.302 121.623 121.223 0.163 0.000 2.083 161 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 161 L C 2.303 179.343 176.870 0.283 0.000 1.083 161 L CA 2.056 57.006 54.840 0.183 0.000 0.752 161 L CB -0.690 41.441 42.059 0.119 0.000 0.899 161 L HN 0.337 nan 8.230 nan 0.000 0.433 162 E N -1.076 119.264 120.200 0.234 0.000 2.077 162 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 162 E C 2.088 178.765 176.600 0.128 0.000 0.989 162 E CA 1.491 57.987 56.400 0.162 0.000 0.800 162 E CB -0.140 29.636 29.700 0.125 0.000 0.746 162 E HN 0.663 nan 8.360 nan 0.000 0.452 163 H N -0.501 118.651 119.070 0.135 0.000 2.491 163 H HA 0.027 4.583 4.556 -0.000 0.000 0.290 163 H C 1.832 177.227 175.328 0.112 0.000 1.050 163 H CA 0.960 57.071 56.048 0.104 0.000 1.309 163 H CB 0.065 29.867 29.762 0.068 0.000 1.392 163 H HN 0.134 nan 8.280 nan 0.000 0.554 164 L N 0.004 121.371 121.223 0.240 0.000 2.056 164 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 164 L C 1.588 178.512 176.870 0.091 0.000 1.078 164 L CA 1.833 56.763 54.840 0.149 0.000 0.749 164 L CB -0.249 41.893 42.059 0.137 0.000 0.901 164 L HN 0.400 nan 8.230 nan 0.000 0.433 165 H N -1.456 117.697 119.070 0.138 0.000 2.357 165 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 165 H C 2.562 177.992 175.328 0.170 0.000 1.082 165 H CA 1.696 57.876 56.048 0.220 0.000 1.342 165 H CB -0.077 29.793 29.762 0.180 0.000 1.389 165 H HN 0.280 nan 8.280 nan 0.000 0.511 166 S N -0.981 114.836 115.700 0.195 0.000 2.383 166 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 166 S C 2.305 176.942 174.600 0.061 0.000 1.030 166 S CA 1.901 60.154 58.200 0.089 0.000 1.002 166 S CB -0.409 62.785 63.200 -0.010 0.000 0.829 166 S HN 0.535 nan 8.310 nan 0.000 0.467 167 T N 0.124 114.701 114.554 0.037 0.000 3.010 167 T HA 0.335 4.685 4.350 -0.000 0.000 0.252 167 T C 1.851 176.453 174.700 -0.162 0.000 1.047 167 T CA 1.060 63.140 62.100 -0.032 0.000 1.140 167 T CB -0.535 68.329 68.868 -0.007 0.000 0.885 167 T HN 0.423 nan 8.240 nan 0.000 0.464 168 A N 0.146 122.813 122.820 -0.253 0.000 1.933 168 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 168 A C 1.355 178.504 177.584 -0.723 0.000 1.175 168 A CA 1.171 52.813 52.037 -0.658 0.000 0.628 168 A CB -0.638 17.947 19.000 -0.691 0.000 0.814 168 A HN 0.635 nan 8.150 nan 0.000 0.444 169 F N 0.432 120.350 119.950 -0.054 0.000 2.735 169 F HA 0.164 4.691 4.527 -0.000 0.000 0.304 169 F C 0.689 176.476 175.800 -0.021 0.000 1.119 169 F CA -0.676 57.319 58.000 -0.008 0.000 1.280 169 F CB 0.072 39.104 39.000 0.052 0.000 0.994 169 F HN 0.306 nan 8.300 nan 0.000 0.520 170 Q N 0.508 120.351 119.800 0.072 0.000 2.342 170 Q HA -0.141 4.199 4.340 -0.000 0.000 0.330 170 Q C 0.050 176.079 176.000 0.049 0.000 1.117 170 Q CA 0.747 56.575 55.803 0.041 0.000 1.010 170 Q CB -0.220 28.513 28.738 -0.009 0.000 1.204 170 Q HN 0.600 nan 8.270 nan 0.000 0.400 171 N N -0.097 118.623 118.700 0.033 0.000 2.725 171 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 171 N C -1.191 174.347 175.510 0.046 0.000 1.103 171 N CA 0.948 54.016 53.050 0.030 0.000 0.707 171 N CB -0.837 37.665 38.487 0.025 0.000 1.043 171 N HN 0.721 nan 8.380 nan 0.000 0.553 172 T N -1.701 112.888 114.554 0.059 0.000 2.883 172 T HA 0.324 4.674 4.350 -0.000 0.000 0.301 172 T C -1.868 172.843 174.700 0.020 0.000 1.158 172 T CA -1.360 60.776 62.100 0.060 0.000 1.007 172 T CB 2.196 71.139 68.868 0.126 0.000 1.186 172 T HN -0.341 nan 8.240 nan 0.000 0.499 173 P HA -0.085 nan 4.420 nan 0.000 0.215 173 P C 1.453 178.682 177.300 -0.118 0.000 1.163 173 P CA 0.859 63.923 63.100 -0.060 0.000 0.894 173 P CB 0.117 31.779 31.700 -0.062 0.000 0.791 174 L N -0.491 120.601 121.223 -0.219 0.000 2.642 174 L HA -0.060 4.280 4.340 -0.000 0.000 0.236 174 L C 2.093 178.916 176.870 -0.080 0.000 1.169 174 L CA 1.940 56.575 54.840 -0.342 0.000 0.851 174 L CB -1.932 39.595 42.059 -0.887 0.000 0.968 174 L HN 0.170 nan 8.230 nan 0.000 0.453 175 S N -1.464 114.253 115.700 0.028 0.000 2.446 175 S HA -0.010 4.460 4.470 -0.000 0.000 0.225 175 S C 1.003 175.601 174.600 -0.003 0.000 1.016 175 S CA -0.185 58.072 58.200 0.096 0.000 0.943 175 S CB -0.004 63.251 63.200 0.092 0.000 0.786 175 S HN 0.133 nan 8.310 nan 0.000 0.508 176 L N 4.153 125.337 121.223 -0.064 0.000 2.410 176 L HA 0.391 4.731 4.340 -0.000 0.000 0.273 176 L C -2.121 174.668 176.870 -0.135 0.000 1.144 176 L CA -1.792 52.987 54.840 -0.101 0.000 0.863 176 L CB -0.296 41.700 42.059 -0.106 0.000 1.140 176 L HN 0.213 nan 8.230 nan 0.000 0.463 177 P HA 0.064 nan 4.420 nan 0.000 0.269 177 P C 0.786 177.972 177.300 -0.189 0.000 1.209 177 P CA -0.167 62.832 63.100 -0.168 0.000 0.776 177 P CB 0.516 32.127 31.700 -0.148 0.000 0.876 178 T N 1.360 115.779 114.554 -0.224 0.000 2.788 178 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 178 T C 1.525 176.093 174.700 -0.219 0.000 1.044 178 T CA 1.043 63.009 62.100 -0.223 0.000 1.139 178 T CB -0.501 68.222 68.868 -0.241 0.000 0.867 178 T HN 0.291 nan 8.240 nan 0.000 0.454 179 R N 1.551 121.894 120.500 -0.262 0.000 2.276 179 R HA 0.454 4.794 4.340 -0.000 0.000 0.203 179 R C 1.515 177.703 176.300 -0.187 0.000 1.017 179 R CA 0.535 56.478 56.100 -0.261 0.000 1.010 179 R CB -0.748 29.313 30.300 -0.398 0.000 0.900 179 R HN 0.700 nan 8.270 nan 0.000 0.469 180 G N -0.106 108.595 108.800 -0.165 0.000 2.795 180 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.664 180 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.664 180 G C -0.191 174.650 174.900 -0.099 0.000 1.381 180 G CA -0.414 44.610 45.100 -0.127 0.000 0.853 180 G HN 0.294 nan 8.290 nan 0.000 0.545 181 T N -1.457 113.050 114.554 -0.078 0.000 2.944 181 T HA 0.689 5.039 4.350 -0.000 0.000 0.284 181 T C 1.863 176.543 174.700 -0.033 0.000 1.010 181 T CA -0.142 61.928 62.100 -0.049 0.000 1.025 181 T CB 1.602 70.439 68.868 -0.052 0.000 1.079 181 T HN 0.800 nan 8.240 nan 0.000 0.516 182 L N 0.345 121.561 121.223 -0.012 0.000 2.046 182 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 182 L C 2.823 179.692 176.870 -0.002 0.000 1.077 182 L CA 1.459 56.295 54.840 -0.007 0.000 0.747 182 L CB -0.593 41.470 42.059 0.006 0.000 0.896 182 L HN 0.713 nan 8.230 nan 0.000 0.432 183 E N 0.152 120.355 120.200 0.005 0.000 2.058 183 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 183 E C 2.332 178.950 176.600 0.029 0.000 0.997 183 E CA 1.764 58.175 56.400 0.019 0.000 0.801 183 E CB -0.360 29.355 29.700 0.024 0.000 0.746 183 E HN 0.509 nan 8.360 nan 0.000 0.450 184 S N -0.021 115.687 115.700 0.014 0.000 2.414 184 S HA -0.047 4.423 4.470 -0.000 0.000 0.227 184 S C 1.863 176.474 174.600 0.019 0.000 1.022 184 S CA 0.353 58.570 58.200 0.029 0.000 0.958 184 S CB -0.246 62.947 63.200 -0.011 0.000 0.797 184 S HN 0.052 nan 8.310 nan 0.000 0.493 185 L N 3.139 124.357 121.223 -0.008 0.000 2.046 185 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 185 L C 2.633 179.498 176.870 -0.008 0.000 1.077 185 L CA 2.123 56.949 54.840 -0.023 0.000 0.747 185 L CB -1.154 40.877 42.059 -0.046 0.000 0.896 185 L HN 0.695 nan 8.230 nan 0.000 0.432 186 E N -2.041 118.161 120.200 0.003 0.000 2.511 186 E HA -0.140 4.209 4.350 -0.000 0.000 0.196 186 E C 1.377 177.998 176.600 0.036 0.000 1.066 186 E CA 0.511 56.919 56.400 0.012 0.000 0.871 186 E CB -0.452 29.253 29.700 0.008 0.000 0.863 186 E HN 0.547 nan 8.360 nan 0.000 0.520 187 N N 0.435 119.164 118.700 0.047 0.000 2.220 187 N HA 0.033 4.773 4.740 -0.000 0.000 0.195 187 N C -0.366 175.188 175.510 0.074 0.000 1.123 187 N CA -0.290 52.796 53.050 0.059 0.000 0.874 187 N CB 0.414 38.942 38.487 0.068 0.000 0.995 187 N HN 0.065 nan 8.380 nan 0.000 0.498 188 L N 2.182 123.458 121.223 0.088 0.000 2.380 188 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 188 L C 0.172 177.177 176.870 0.225 0.000 1.138 188 L CA -0.132 54.786 54.840 0.129 0.000 0.832 188 L CB 1.233 43.359 42.059 0.113 0.000 1.124 188 L HN -0.060 nan 8.230 nan 0.000 0.454 189 V N 1.568 121.562 119.914 0.134 0.000 3.074 189 V HA 0.478 4.598 4.120 -0.000 0.000 0.314 189 V C 0.944 176.813 176.094 -0.374 0.000 1.117 189 V CA -0.863 61.400 62.300 -0.061 0.000 1.014 189 V CB 1.432 33.197 31.823 -0.096 0.000 1.057 189 V HN 0.439 nan 8.190 nan 0.000 0.438 190 V N 1.210 120.518 119.914 -1.011 0.000 2.313 190 V HA -0.310 3.810 4.120 -0.000 0.000 0.253 190 V C 2.974 178.875 176.094 -0.321 0.000 1.070 190 V CA 3.125 64.890 62.300 -0.891 0.000 1.057 190 V CB -1.598 29.782 31.823 -0.738 0.000 0.653 190 V HN 1.227 nan 8.190 nan 0.000 0.450 191 A N -0.083 122.610 122.820 -0.211 0.000 1.917 191 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 191 A C 2.049 179.628 177.584 -0.008 0.000 1.182 191 A CA 2.167 54.156 52.037 -0.081 0.000 0.633 191 A CB -0.693 18.269 19.000 -0.063 0.000 0.819 191 A HN 0.599 nan 8.150 nan 0.000 0.448 192 D N 0.096 120.497 120.400 0.002 0.000 2.123 192 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 192 D C 2.004 178.400 176.300 0.160 0.000 0.992 192 D CA 1.127 55.174 54.000 0.078 0.000 0.833 192 D CB -0.284 40.561 40.800 0.076 0.000 0.954 192 D HN 0.371 nan 8.370 nan 0.000 0.455 193 L N 1.046 122.344 121.223 0.125 0.000 1.989 193 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 193 L C 2.392 179.601 176.870 0.565 0.000 1.071 193 L CA 1.525 56.534 54.840 0.282 0.000 0.749 193 L CB -0.826 41.106 42.059 -0.211 0.000 0.890 193 L HN 0.086 nan 8.230 nan 0.000 0.431 194 E N -0.112 120.272 120.200 0.307 0.000 2.051 194 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 194 E C 2.263 178.937 176.600 0.123 0.000 0.991 194 E CA 1.548 58.089 56.400 0.235 0.000 0.799 194 E CB -0.067 29.706 29.700 0.121 0.000 0.748 194 E HN 0.374 nan 8.360 nan 0.000 0.449 195 S N 0.891 116.655 115.700 0.106 0.000 2.359 195 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 195 S C 1.721 176.342 174.600 0.035 0.000 1.039 195 S CA 1.404 59.637 58.200 0.055 0.000 1.042 195 S CB -0.488 62.760 63.200 0.079 0.000 0.915 195 S HN 0.278 nan 8.310 nan 0.000 0.439 196 F N 2.337 122.282 119.950 -0.009 0.000 2.075 196 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 196 F C 2.446 178.046 175.800 -0.334 0.000 1.113 196 F CA 1.128 59.104 58.000 -0.040 0.000 1.218 196 F CB -0.701 38.333 39.000 0.057 0.000 0.984 196 F HN 0.179 nan 8.300 nan 0.000 0.472 197 A N 0.597 123.213 122.820 -0.340 0.000 1.908 197 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 197 A C 1.994 179.219 177.584 -0.598 0.000 1.181 197 A CA 2.113 53.594 52.037 -0.928 0.000 0.627 197 A CB -1.007 17.674 19.000 -0.531 0.000 0.818 197 A HN 0.542 nan 8.150 nan 0.000 0.445 198 N N 0.224 118.728 118.700 -0.327 0.000 2.244 198 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 198 N C 1.255 176.555 175.510 -0.351 0.000 1.016 198 N CA 1.644 54.540 53.050 -0.257 0.000 0.866 198 N CB -0.636 37.762 38.487 -0.149 0.000 0.980 198 N HN 0.668 nan 8.380 nan 0.000 0.430 199 N N -0.690 117.714 118.700 -0.492 0.000 2.416 199 N HA 0.016 4.756 4.740 -0.000 0.000 0.177 199 N C 1.015 175.911 175.510 -1.023 0.000 1.036 199 N CA 0.644 53.277 53.050 -0.695 0.000 0.901 199 N CB 0.236 38.264 38.487 -0.766 0.000 0.976 199 N HN 0.368 nan 8.380 nan 0.000 0.444 200 H N -1.465 117.197 119.070 -0.681 0.000 2.735 200 H HA 0.185 4.741 4.556 -0.000 0.000 0.250 200 H C -0.134 174.861 175.328 -0.555 0.000 0.948 200 H CA -0.107 55.543 56.048 -0.663 0.000 1.137 200 H CB 0.140 29.293 29.762 -1.014 0.000 1.440 200 H HN 0.117 nan 8.280 nan 0.000 0.444 201 F N 3.015 122.460 119.950 -0.841 0.000 2.678 201 F HA 0.204 4.731 4.527 -0.000 0.000 0.358 201 F C -0.001 175.398 175.800 -0.669 0.000 1.256 201 F CA -0.182 57.005 58.000 -1.355 0.000 1.278 201 F CB -0.360 37.827 39.000 -1.355 0.000 1.681 201 F HN -0.194 nan 8.300 nan 0.000 0.661 202 L N 0.354 121.449 121.223 -0.213 0.000 2.341 202 L HA 0.314 4.654 4.340 -0.000 0.000 0.267 202 L C 0.987 177.900 176.870 0.072 0.000 1.009 202 L CA -0.810 53.992 54.840 -0.063 0.000 0.819 202 L CB 1.682 43.682 42.059 -0.099 0.000 1.323 202 L HN 0.138 nan 8.230 nan 0.000 0.425 203 N N 0.396 119.127 118.700 0.052 0.000 2.137 203 N HA -0.221 4.518 4.740 -0.000 0.000 0.190 203 N C 1.704 177.250 175.510 0.060 0.000 1.017 203 N CA 1.786 54.875 53.050 0.065 0.000 0.859 203 N CB 0.223 38.731 38.487 0.034 0.000 1.002 203 N HN 0.746 nan 8.380 nan 0.000 0.428 204 S N -1.399 114.324 115.700 0.038 0.000 2.481 204 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 204 S C 1.091 175.724 174.600 0.055 0.000 0.996 204 S CA 0.613 58.832 58.200 0.033 0.000 0.942 204 S CB -0.036 63.170 63.200 0.011 0.000 0.768 204 S HN 0.302 nan 8.310 nan 0.000 0.520 205 N N 1.311 120.066 118.700 0.093 0.000 2.467 205 N HA 0.567 5.307 4.740 -0.000 0.000 0.278 205 N C -0.742 174.930 175.510 0.270 0.000 1.306 205 N CA 0.049 53.187 53.050 0.146 0.000 0.905 205 N CB 0.885 39.448 38.487 0.127 0.000 1.236 205 N HN 0.515 nan 8.380 nan 0.000 0.509 206 A N -0.700 122.227 122.820 0.178 0.000 2.587 206 A HA 0.778 5.098 4.320 -0.000 0.000 0.293 206 A C -1.567 176.005 177.584 -0.020 0.000 1.087 206 A CA -0.534 51.561 52.037 0.096 0.000 0.692 206 A CB 1.638 20.731 19.000 0.155 0.000 1.291 206 A HN -0.007 nan 8.150 nan 0.000 0.407 207 V N 1.150 120.994 119.914 -0.116 0.000 2.655 207 V HA 0.408 4.528 4.120 -0.000 0.000 0.301 207 V C -0.428 175.590 176.094 -0.126 0.000 1.082 207 V CA -0.622 61.624 62.300 -0.090 0.000 0.899 207 V CB 1.506 33.282 31.823 -0.078 0.000 1.014 207 V HN 1.172 nan 8.190 nan 0.000 0.429 208 V N 7.227 127.093 119.914 -0.079 0.000 2.455 208 V HA 0.550 4.670 4.120 -0.000 0.000 0.273 208 V C -0.207 175.860 176.094 -0.045 0.000 1.045 208 V CA 0.412 62.675 62.300 -0.063 0.000 0.976 208 V CB 1.470 33.282 31.823 -0.018 0.000 0.993 208 V HN 0.632 nan 8.190 nan 0.000 0.475 209 V N 5.969 125.854 119.914 -0.049 0.000 2.547 209 V HA 0.848 4.968 4.120 -0.000 0.000 0.299 209 V C 0.664 176.752 176.094 -0.011 0.000 1.040 209 V CA 0.063 62.340 62.300 -0.039 0.000 0.913 209 V CB 1.646 33.436 31.823 -0.054 0.000 0.992 209 V HN 1.077 nan 8.190 nan 0.000 0.449 210 G N 1.741 110.535 108.800 -0.009 0.000 2.753 210 G HA2 0.647 4.607 3.960 -0.000 0.000 0.282 210 G HA3 0.647 4.607 3.960 -0.000 0.000 0.282 210 G C -0.527 174.378 174.900 0.009 0.000 1.512 210 G CA -0.207 44.901 45.100 0.012 0.000 1.076 210 G HN 0.849 nan 8.290 nan 0.000 0.545 211 T N -0.732 113.831 114.554 0.015 0.000 2.916 211 T HA 0.942 5.292 4.350 -0.000 0.000 0.292 211 T C 0.716 175.429 174.700 0.022 0.000 1.064 211 T CA 0.156 62.264 62.100 0.013 0.000 1.011 211 T CB 2.221 71.092 68.868 0.005 0.000 1.152 211 T HN 2.239 nan 8.240 nan 0.000 0.510 212 G N 2.054 110.861 108.800 0.011 0.000 2.456 212 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.204 212 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.204 212 G C -0.019 174.883 174.900 0.002 0.000 1.193 212 G CA 0.193 45.300 45.100 0.010 0.000 1.220 212 G HN 1.351 nan 8.290 nan 0.000 0.565 213 N N 0.789 119.520 118.700 0.052 0.000 2.187 213 N HA 0.280 5.020 4.740 -0.000 0.000 0.212 213 N C 0.778 176.471 175.510 0.304 0.000 1.152 213 N CA 0.676 53.808 53.050 0.138 0.000 0.872 213 N CB -0.183 38.362 38.487 0.096 0.000 1.025 213 N HN 1.164 nan 8.380 nan 0.000 0.514 214 I N -1.042 119.636 120.570 0.179 0.000 2.588 214 I HA 0.246 4.416 4.170 -0.000 0.000 0.283 214 I C 0.329 176.516 176.117 0.116 0.000 1.119 214 I CA -0.833 60.540 61.300 0.121 0.000 1.419 214 I CB 0.354 38.401 38.000 0.078 0.000 1.394 214 I HN -0.147 nan 8.210 nan 0.000 0.562 215 K N 3.149 123.569 120.400 0.033 0.000 2.168 215 K HA 0.100 4.420 4.320 -0.000 0.000 0.258 215 K C 0.771 177.424 176.600 0.088 0.000 1.010 215 K CA -0.533 55.750 56.287 -0.007 0.000 0.929 215 K CB 0.483 32.945 32.500 -0.064 0.000 0.998 215 K HN 0.646 nan 8.250 nan 0.000 0.479 216 H N 2.393 121.447 119.070 -0.027 0.000 2.267 216 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 216 H C 1.125 176.445 175.328 -0.013 0.000 1.080 216 H CA 2.038 58.079 56.048 -0.011 0.000 1.278 216 H CB 0.322 30.076 29.762 -0.013 0.000 1.365 216 H HN 0.669 nan 8.280 nan 0.000 0.489 217 E N -0.454 119.738 120.200 -0.015 0.000 2.110 217 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 217 E C 1.952 178.531 176.600 -0.035 0.000 0.988 217 E CA 1.201 57.544 56.400 -0.094 0.000 0.804 217 E CB -0.105 29.546 29.700 -0.081 0.000 0.745 217 E HN 0.582 nan 8.360 nan 0.000 0.458 218 D N 0.187 120.586 120.400 -0.002 0.000 2.149 218 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 218 D C 1.855 178.168 176.300 0.022 0.000 0.990 218 D CA 0.723 54.727 54.000 0.007 0.000 0.839 218 D CB 0.122 40.929 40.800 0.011 0.000 0.948 218 D HN 0.030 nan 8.370 nan 0.000 0.460 219 L N -0.440 120.811 121.223 0.047 0.000 2.102 219 L HA 0.065 4.405 4.340 -0.000 0.000 0.202 219 L C 2.235 179.132 176.870 0.044 0.000 1.076 219 L CA 0.888 55.762 54.840 0.058 0.000 0.761 219 L CB -0.690 41.423 42.059 0.090 0.000 0.921 219 L HN 0.040 nan 8.230 nan 0.000 0.444 220 V N 0.432 120.365 119.914 0.032 0.000 2.546 220 V HA -0.283 3.837 4.120 -0.000 0.000 0.254 220 V C 2.202 178.285 176.094 -0.019 0.000 1.076 220 V CA 2.159 64.453 62.300 -0.010 0.000 1.087 220 V CB -0.595 31.156 31.823 -0.120 0.000 0.674 220 V HN 0.604 nan 8.190 nan 0.000 0.470 221 N N -0.385 118.303 118.700 -0.020 0.000 2.333 221 N HA -0.031 4.709 4.740 -0.000 0.000 0.178 221 N C 1.946 177.457 175.510 0.001 0.000 1.018 221 N CA 1.466 54.507 53.050 -0.015 0.000 0.882 221 N CB -0.079 38.396 38.487 -0.020 0.000 0.984 221 N HN 0.435 nan 8.380 nan 0.000 0.434 222 S N 0.887 116.593 115.700 0.011 0.000 2.423 222 S HA 0.116 4.586 4.470 -0.000 0.000 0.231 222 S C 1.996 176.611 174.600 0.025 0.000 1.014 222 S CA 0.440 58.652 58.200 0.020 0.000 0.965 222 S CB 0.126 63.342 63.200 0.027 0.000 0.785 222 S HN 0.273 nan 8.310 nan 0.000 0.495 223 I N 0.913 121.498 120.570 0.025 0.000 2.494 223 I HA -0.022 4.148 4.170 -0.000 0.000 0.250 223 I C 2.483 178.612 176.117 0.021 0.000 1.112 223 I CA 0.838 62.156 61.300 0.029 0.000 1.438 223 I CB -0.206 37.814 38.000 0.033 0.000 1.111 223 I HN 0.230 nan 8.210 nan 0.000 0.431 224 E N 0.513 120.720 120.200 0.012 0.000 2.333 224 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 224 E C 2.193 178.797 176.600 0.007 0.000 1.007 224 E CA 0.884 57.288 56.400 0.006 0.000 0.845 224 E CB 0.116 29.812 29.700 -0.005 0.000 0.766 224 E HN 0.286 nan 8.360 nan 0.000 0.507 225 S N 0.049 115.755 115.700 0.010 0.000 2.353 225 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 225 S C 0.624 175.232 174.600 0.013 0.000 1.035 225 S CA 1.076 59.283 58.200 0.010 0.000 1.025 225 S CB 0.087 63.295 63.200 0.013 0.000 0.902 225 S HN -0.001 nan 8.310 nan 0.000 0.440 226 K N 1.458 121.869 120.400 0.018 0.000 2.107 226 K HA 0.414 4.734 4.320 -0.000 0.000 0.251 226 K C 0.652 177.263 176.600 0.019 0.000 1.012 226 K CA -0.285 56.014 56.287 0.020 0.000 0.920 226 K CB 0.495 33.011 32.500 0.027 0.000 1.033 226 K HN 0.237 nan 8.250 nan 0.000 0.478 227 N N -0.130 118.581 118.700 0.019 0.000 2.356 227 N HA 0.304 5.043 4.740 -0.000 0.000 0.110 227 N C -0.140 175.381 175.510 0.020 0.000 1.739 227 N CA -0.352 52.708 53.050 0.017 0.000 1.227 227 N CB -0.502 37.992 38.487 0.012 0.000 1.075 227 N HN 0.244 nan 8.380 nan 0.000 0.322 228 L N -0.195 121.038 121.223 0.017 0.000 7.603 228 L HA -0.362 3.978 4.340 -0.000 0.000 0.092 228 L C 0.492 177.373 176.870 0.018 0.000 1.252 228 L CA 1.517 56.367 54.840 0.017 0.000 1.482 228 L CB -1.227 40.845 42.059 0.021 0.000 2.830 228 L HN 0.662 nan 8.230 nan 0.000 1.159 229 S N -2.656 113.055 115.700 0.019 0.000 4.257 229 S HA 0.314 4.784 4.470 -0.000 0.000 0.208 229 S C -0.558 174.052 174.600 0.018 0.000 1.152 229 S CA 0.244 58.454 58.200 0.017 0.000 1.110 229 S CB 0.324 63.530 63.200 0.009 0.000 1.434 229 S HN 1.187 nan 8.310 nan 0.000 0.509 230 L N 3.247 124.479 121.223 0.015 0.000 3.291 230 L HA -0.198 4.142 4.340 -0.000 0.000 0.659 230 L C -0.922 175.948 176.870 -0.001 0.000 1.042 230 L CA 1.149 55.997 54.840 0.014 0.000 1.256 230 L CB -1.520 40.557 42.059 0.030 0.000 1.596 230 L HN 0.833 nan 8.230 nan 0.000 0.819 231 Q N 0.955 120.747 119.800 -0.012 0.000 2.461 231 Q HA -0.164 4.176 4.340 -0.000 0.000 0.298 231 Q C 0.306 176.288 176.000 -0.031 0.000 1.399 231 Q CA 1.259 57.044 55.803 -0.030 0.000 0.778 231 Q CB -1.062 27.646 28.738 -0.049 0.000 1.130 231 Q HN 0.781 nan 8.270 nan 0.000 0.407 232 T N -2.062 112.481 114.554 -0.018 0.000 2.927 232 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 232 T C 1.215 175.904 174.700 -0.018 0.000 0.998 232 T CA 0.976 63.068 62.100 -0.014 0.000 1.019 232 T CB 1.308 70.175 68.868 -0.002 0.000 1.061 232 T HN 0.961 nan 8.240 nan 0.000 0.518 233 G N 1.858 110.648 108.800 -0.015 0.000 2.148 233 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.254 233 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.254 233 G C 0.291 175.175 174.900 -0.027 0.000 0.981 233 G CA 0.560 45.650 45.100 -0.017 0.000 0.670 233 G HN 0.958 nan 8.290 nan 0.000 0.528 234 T N -0.279 114.252 114.554 -0.038 0.000 2.897 234 T HA 0.688 5.038 4.350 -0.000 0.000 0.278 234 T C 0.202 174.868 174.700 -0.057 0.000 0.981 234 T CA -0.165 61.902 62.100 -0.056 0.000 0.973 234 T CB 1.708 70.527 68.868 -0.082 0.000 1.092 234 T HN 0.362 nan 8.240 nan 0.000 0.543 235 K N 1.225 121.582 120.400 -0.072 0.000 2.469 235 K HA 0.483 4.802 4.320 -0.000 0.000 0.254 235 K C -2.664 173.871 176.600 -0.107 0.000 0.939 235 K CA -1.892 54.355 56.287 -0.066 0.000 0.812 235 K CB 1.808 34.282 32.500 -0.043 0.000 1.301 235 K HN 0.396 nan 8.250 nan 0.000 0.433 236 P HA 0.094 nan 4.420 nan 0.000 0.274 236 P C -0.238 177.004 177.300 -0.097 0.000 1.231 236 P CA -0.490 62.521 63.100 -0.148 0.000 0.790 236 P CB 0.696 32.380 31.700 -0.026 0.000 0.951 237 V N 1.984 121.823 119.914 -0.126 0.000 3.237 237 V HA 0.076 4.196 4.120 -0.000 0.000 0.305 237 V C 1.034 177.134 176.094 0.010 0.000 1.096 237 V CA -0.261 62.006 62.300 -0.054 0.000 1.130 237 V CB -0.090 31.700 31.823 -0.055 0.000 1.048 237 V HN 0.421 nan 8.190 nan 0.000 0.484 238 L N 2.003 123.232 121.223 0.011 0.000 2.304 238 L HA 0.717 5.057 4.340 -0.000 0.000 0.268 238 L C -0.082 176.806 176.870 0.030 0.000 1.010 238 L CA -0.475 54.379 54.840 0.024 0.000 0.813 238 L CB 1.974 44.043 42.059 0.017 0.000 1.315 238 L HN 0.980 nan 8.230 nan 0.000 0.445 239 K N 0.052 120.472 120.400 0.033 0.000 1.928 239 K HA 0.382 4.702 4.320 -0.000 0.000 0.251 239 K C -0.994 175.626 176.600 0.033 0.000 0.713 239 K CA -0.763 55.545 56.287 0.034 0.000 0.547 239 K CB 0.423 32.947 32.500 0.040 0.000 1.755 239 K HN 0.249 nan 8.250 nan 0.000 0.536 240 K N 1.844 122.264 120.400 0.034 0.000 2.143 240 K HA 0.237 4.557 4.320 -0.000 0.000 0.272 240 K C -0.727 175.896 176.600 0.037 0.000 1.001 240 K CA -0.616 55.693 56.287 0.037 0.000 0.915 240 K CB 0.662 33.185 32.500 0.038 0.000 1.047 240 K HN 0.497 nan 8.250 nan 0.000 0.458 241 K N 2.387 122.814 120.400 0.045 0.000 2.339 241 K HA 0.248 4.568 4.320 -0.000 0.000 0.286 241 K C -0.304 176.335 176.600 0.063 0.000 1.050 241 K CA -0.535 55.783 56.287 0.051 0.000 0.956 241 K CB 1.036 33.572 32.500 0.059 0.000 0.990 241 K HN 0.573 nan 8.250 nan 0.000 0.475 242 A N 2.626 125.476 122.820 0.050 0.000 2.540 242 A HA 0.366 4.686 4.320 -0.000 0.000 0.239 242 A C -0.072 177.613 177.584 0.169 0.000 1.061 242 A CA 0.205 52.275 52.037 0.056 0.000 0.758 242 A CB -0.090 18.871 19.000 -0.065 0.000 0.991 242 A HN 0.913 nan 8.150 nan 0.000 0.502 243 A N 2.017 125.001 122.820 0.274 0.000 2.486 243 A HA 0.637 4.957 4.320 -0.000 0.000 0.300 243 A C -0.853 177.014 177.584 0.472 0.000 1.048 243 A CA -0.487 51.750 52.037 0.333 0.000 0.696 243 A CB 0.840 19.960 19.000 0.199 0.000 1.278 243 A HN 1.271 nan 8.150 nan 0.000 0.405 244 F N 2.321 122.431 119.950 0.266 0.000 2.411 244 F HA 0.635 5.162 4.527 -0.000 0.000 0.350 244 F C -0.626 175.190 175.800 0.027 0.000 1.114 244 F CA -0.685 57.354 58.000 0.066 0.000 1.135 244 F CB 1.123 40.151 39.000 0.047 0.000 1.120 244 F HN 0.471 nan 8.300 nan 0.000 0.495 245 L N 6.553 127.367 121.223 -0.682 0.000 2.343 245 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 245 L C -0.043 176.443 176.870 -0.641 0.000 0.996 245 L CA -0.342 54.240 54.840 -0.430 0.000 0.831 245 L CB 1.413 43.334 42.059 -0.232 0.000 1.232 245 L HN 0.712 nan 8.230 nan 0.000 0.413 246 G N 3.533 112.161 108.800 -0.286 0.000 2.255 246 G HA2 0.425 4.385 3.960 -0.000 0.000 0.267 246 G HA3 0.425 4.385 3.960 -0.000 0.000 0.267 246 G C -0.141 174.646 174.900 -0.190 0.000 1.177 246 G CA 0.694 45.752 45.100 -0.070 0.000 1.027 246 G HN 0.992 nan 8.290 nan 0.000 0.437 247 S N 1.229 116.838 115.700 -0.152 0.000 2.724 247 S HA 0.788 5.258 4.470 -0.000 0.000 0.278 247 S C -0.938 173.662 174.600 0.000 0.000 1.190 247 S CA -0.653 57.414 58.200 -0.222 0.000 0.860 247 S CB 1.996 65.070 63.200 -0.209 0.000 1.206 247 S HN 1.061 nan 8.310 nan 0.000 0.507 248 E N -1.006 119.182 120.200 -0.020 0.000 2.407 248 E HA 0.726 5.076 4.350 -0.000 0.000 0.279 248 E C -1.969 174.652 176.600 0.036 0.000 1.012 248 E CA -1.203 55.243 56.400 0.076 0.000 0.800 248 E CB 2.003 31.809 29.700 0.177 0.000 1.276 248 E HN 0.878 nan 8.360 nan 0.000 0.452 249 V N 1.468 121.415 119.914 0.056 0.000 2.569 249 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 249 V C -1.581 174.529 176.094 0.025 0.000 1.044 249 V CA -0.495 61.831 62.300 0.044 0.000 0.874 249 V CB 1.643 33.515 31.823 0.081 0.000 1.002 249 V HN 0.716 nan 8.190 nan 0.000 0.424 250 R N 7.248 127.753 120.500 0.007 0.000 2.337 250 R HA 0.535 4.875 4.340 -0.000 0.000 0.319 250 R C -1.065 175.216 176.300 -0.032 0.000 0.954 250 R CA -0.775 55.321 56.100 -0.005 0.000 0.840 250 R CB 1.462 31.767 30.300 0.009 0.000 1.164 250 R HN 0.487 nan 8.270 nan 0.000 0.472 251 L N 3.746 124.930 121.223 -0.064 0.000 2.657 251 L HA 0.287 4.627 4.340 -0.000 0.000 0.239 251 L C 0.660 177.507 176.870 -0.038 0.000 1.215 251 L CA -0.013 54.778 54.840 -0.082 0.000 1.161 251 L CB -0.338 41.616 42.059 -0.176 0.000 1.436 251 L HN 0.454 nan 8.230 nan 0.000 0.414 252 R N 1.751 122.240 120.500 -0.018 0.000 2.484 252 R HA 0.057 4.397 4.340 -0.000 0.000 0.293 252 R C -0.640 175.657 176.300 -0.005 0.000 1.023 252 R CA 0.339 56.435 56.100 -0.005 0.000 1.037 252 R CB 0.528 30.826 30.300 -0.003 0.000 0.951 252 R HN 0.300 nan 8.270 nan 0.000 0.418 253 D N 3.037 123.438 120.400 0.002 0.000 2.336 253 D HA 0.107 4.747 4.640 -0.000 0.000 0.248 253 D C -0.410 175.893 176.300 0.005 0.000 1.326 253 D CA -0.495 53.505 54.000 0.000 0.000 0.973 253 D CB 1.058 41.854 40.800 -0.007 0.000 1.255 253 D HN 0.388 nan 8.370 nan 0.000 0.558 254 D N 1.206 121.608 120.400 0.002 0.000 2.350 254 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 254 D C 1.832 178.134 176.300 0.003 0.000 0.968 254 D CA 0.957 54.957 54.000 0.001 0.000 0.894 254 D CB 0.208 41.007 40.800 -0.002 0.000 0.909 254 D HN 0.553 nan 8.370 nan 0.000 0.520 255 T N -2.216 112.342 114.554 0.006 0.000 3.088 255 T HA 0.098 4.448 4.350 -0.000 0.000 0.259 255 T C 1.087 175.797 174.700 0.017 0.000 1.122 255 T CA -0.100 62.006 62.100 0.010 0.000 1.095 255 T CB 0.057 68.932 68.868 0.012 0.000 0.930 255 T HN -0.010 nan 8.240 nan 0.000 0.508 256 L N 2.495 123.730 121.223 0.019 0.000 2.395 256 L HA 0.326 4.666 4.340 -0.000 0.000 0.269 256 L C -0.960 175.936 176.870 0.043 0.000 1.133 256 L CA -2.270 52.599 54.840 0.047 0.000 0.812 256 L CB 1.118 43.213 42.059 0.059 0.000 1.125 256 L HN -0.063 nan 8.230 nan 0.000 0.452 257 P HA -0.012 nan 4.420 nan 0.000 0.233 257 P C -0.115 177.102 177.300 -0.138 0.000 1.167 257 P CA 1.052 64.144 63.100 -0.012 0.000 0.770 257 P CB 0.528 32.244 31.700 0.027 0.000 0.837 258 K N -0.738 119.470 120.400 -0.319 0.000 2.197 258 K HA 0.744 5.064 4.320 -0.000 0.000 0.247 258 K C -0.926 175.317 176.600 -0.595 0.000 1.077 258 K CA -1.025 54.859 56.287 -0.672 0.000 0.882 258 K CB 1.838 33.518 32.500 -1.366 0.000 1.396 258 K HN -0.264 nan 8.250 nan 0.000 0.482 259 A N 1.062 123.513 122.820 -0.616 0.000 2.332 259 A HA 0.512 4.832 4.320 -0.000 0.000 0.300 259 A C -1.698 175.707 177.584 -0.298 0.000 1.153 259 A CA -0.634 51.247 52.037 -0.260 0.000 0.764 259 A CB 0.577 19.489 19.000 -0.145 0.000 1.174 259 A HN 0.526 nan 8.150 nan 0.000 0.467 260 W N 3.115 124.397 121.300 -0.031 0.000 2.475 260 W HA 0.616 5.276 4.660 0.000 0.000 0.317 260 W C -0.441 176.061 176.519 -0.029 0.000 1.046 260 W CA -0.461 56.876 57.345 -0.014 0.000 1.215 260 W CB 1.772 31.238 29.460 0.010 0.000 1.335 260 W HN 0.737 nan 8.180 nan 0.000 0.471 261 I N 1.426 122.076 120.570 0.133 0.000 2.802 261 I HA 0.602 4.771 4.170 -0.000 0.000 0.298 261 I C -1.108 174.975 176.117 -0.058 0.000 1.176 261 I CA -0.317 61.006 61.300 0.038 0.000 1.025 261 I CB 2.376 40.372 38.000 -0.007 0.000 1.243 261 I HN 0.068 nan 8.210 nan 0.000 0.424 262 S N 6.936 122.638 115.700 0.004 0.000 2.557 262 S HA 0.733 5.203 4.470 -0.000 0.000 0.291 262 S C -1.092 173.571 174.600 0.104 0.000 1.116 262 S CA -0.594 57.628 58.200 0.036 0.000 0.992 262 S CB 1.844 65.148 63.200 0.173 0.000 1.028 262 S HN 0.665 nan 8.310 nan 0.000 0.484 263 L N 2.595 123.913 121.223 0.159 0.000 2.431 263 L HA 0.945 5.285 4.340 -0.000 0.000 0.266 263 L C -1.064 176.062 176.870 0.426 0.000 0.978 263 L CA -0.228 54.785 54.840 0.288 0.000 0.822 263 L CB 1.555 43.792 42.059 0.297 0.000 1.310 263 L HN 0.860 nan 8.230 nan 0.000 0.409 264 A N 3.337 126.402 122.820 0.409 0.000 2.610 264 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 264 A C -1.390 176.416 177.584 0.369 0.000 1.086 264 A CA -0.162 52.119 52.037 0.407 0.000 0.677 264 A CB 1.602 20.860 19.000 0.430 0.000 1.278 264 A HN 0.958 nan 8.150 nan 0.000 0.414 265 V N -1.540 118.514 119.914 0.234 0.000 3.096 265 V HA 0.741 4.861 4.120 -0.000 0.000 0.319 265 V C 0.248 176.090 176.094 -0.420 0.000 1.103 265 V CA -0.727 61.523 62.300 -0.083 0.000 1.016 265 V CB 1.389 33.165 31.823 -0.078 0.000 1.090 265 V HN 1.050 nan 8.190 nan 0.000 0.449 266 E N 0.807 120.368 120.200 -1.064 0.000 2.415 266 E HA 0.383 4.733 4.350 -0.000 0.000 0.260 266 E C 0.529 177.035 176.600 -0.156 0.000 1.016 266 E CA 0.505 56.436 56.400 -0.781 0.000 0.924 266 E CB 0.535 29.793 29.700 -0.736 0.000 0.961 266 E HN 1.013 nan 8.360 nan 0.000 0.459 267 G N 3.916 112.785 108.800 0.115 0.000 2.714 267 G HA2 0.162 4.122 3.960 -0.000 0.000 0.197 267 G HA3 0.162 4.122 3.960 -0.000 0.000 0.197 267 G C -0.564 174.498 174.900 0.271 0.000 1.449 267 G CA -0.424 44.846 45.100 0.284 0.000 1.065 267 G HN 0.565 nan 8.290 nan 0.000 0.575 268 E N 1.349 121.727 120.200 0.296 0.000 2.171 268 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 268 E C -2.411 174.331 176.600 0.236 0.000 0.916 268 E CA -1.925 54.627 56.400 0.254 0.000 0.774 268 E CB 2.182 32.023 29.700 0.236 0.000 1.128 268 E HN 0.209 nan 8.360 nan 0.000 0.403 269 P HA 0.024 nan 4.420 nan 0.000 0.274 269 P C 0.306 177.709 177.300 0.171 0.000 1.231 269 P CA -0.469 62.746 63.100 0.191 0.000 0.790 269 P CB 0.697 32.494 31.700 0.161 0.000 0.951 270 V N -0.715 119.276 119.914 0.129 0.000 2.752 270 V HA -0.009 4.111 4.120 -0.000 0.000 0.306 270 V C 0.835 176.871 176.094 -0.098 0.000 1.099 270 V CA -0.296 62.006 62.300 0.004 0.000 1.240 270 V CB -1.030 30.782 31.823 -0.018 0.000 0.887 270 V HN 0.893 nan 8.190 nan 0.000 0.499 271 N N 1.625 120.125 118.700 -0.332 0.000 2.568 271 N HA -0.182 4.558 4.740 -0.000 0.000 0.277 271 N C -0.290 175.188 175.510 -0.053 0.000 1.200 271 N CA 1.009 53.923 53.050 -0.227 0.000 0.702 271 N CB -0.517 37.881 38.487 -0.148 0.000 0.889 271 N HN 1.407 nan 8.380 nan 0.000 0.546 272 S N 1.845 117.548 115.700 0.006 0.000 2.569 272 S HA 0.672 5.142 4.470 -0.000 0.000 0.280 272 S C -1.905 172.755 174.600 0.100 0.000 1.111 272 S CA -1.143 57.108 58.200 0.084 0.000 0.887 272 S CB 2.067 65.354 63.200 0.145 0.000 1.095 272 S HN 0.066 nan 8.310 nan 0.000 0.476 273 P HA 0.042 nan 4.420 nan 0.000 0.218 273 P C 0.081 177.459 177.300 0.130 0.000 1.148 273 P CA 1.193 64.360 63.100 0.110 0.000 0.822 273 P CB -0.121 31.638 31.700 0.098 0.000 0.784 274 N N -2.377 116.404 118.700 0.135 0.000 2.321 274 N HA 0.054 4.794 4.740 -0.000 0.000 0.242 274 N C 0.827 176.340 175.510 0.005 0.000 1.141 274 N CA -0.341 52.759 53.050 0.083 0.000 0.864 274 N CB -0.233 38.364 38.487 0.183 0.000 1.100 274 N HN 0.065 nan 8.380 nan 0.000 0.510 275 Y N 0.534 120.770 120.300 -0.107 0.000 2.097 275 Y HA -0.239 4.310 4.550 -0.000 0.000 0.282 275 Y C 1.232 176.930 175.900 -0.337 0.000 1.152 275 Y CA 1.817 59.764 58.100 -0.255 0.000 1.136 275 Y CB -0.175 38.031 38.460 -0.423 0.000 0.975 275 Y HN 0.077 nan 8.280 nan 0.000 0.498 276 F N -1.302 118.655 119.950 0.012 0.000 2.206 276 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 276 F C 2.335 177.998 175.800 -0.229 0.000 1.090 276 F CA 1.156 59.094 58.000 -0.103 0.000 1.323 276 F CB -0.714 38.304 39.000 0.030 0.000 1.028 276 F HN -0.146 nan 8.300 nan 0.000 0.492 277 V N 0.207 120.055 119.914 -0.110 0.000 2.332 277 V HA -0.342 3.777 4.120 -0.000 0.000 0.248 277 V C 2.556 178.230 176.094 -0.700 0.000 1.055 277 V CA 1.838 63.940 62.300 -0.329 0.000 1.038 277 V CB -1.357 30.266 31.823 -0.333 0.000 0.651 277 V HN 0.378 nan 8.190 nan 0.000 0.450 278 A N -0.441 121.856 122.820 -0.872 0.000 1.898 278 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 278 A C 2.328 179.728 177.584 -0.308 0.000 1.181 278 A CA 1.807 53.267 52.037 -0.961 0.000 0.620 278 A CB -0.395 18.334 19.000 -0.452 0.000 0.819 278 A HN 0.521 nan 8.150 nan 0.000 0.442 279 K N -0.686 119.548 120.400 -0.277 0.000 2.148 279 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 279 K C 1.982 178.530 176.600 -0.088 0.000 1.050 279 K CA 1.094 57.289 56.287 -0.154 0.000 0.942 279 K CB -0.298 32.079 32.500 -0.205 0.000 0.724 279 K HN 0.546 nan 8.250 nan 0.000 0.446 280 L N 0.735 121.883 121.223 -0.125 0.000 2.027 280 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 280 L C 2.381 179.175 176.870 -0.127 0.000 1.074 280 L CA 1.393 56.166 54.840 -0.113 0.000 0.745 280 L CB -0.385 41.601 42.059 -0.122 0.000 0.898 280 L HN 0.115 nan 8.230 nan 0.000 0.433 281 A N 0.033 122.751 122.820 -0.170 0.000 1.917 281 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 281 A C 2.395 180.069 177.584 0.150 0.000 1.182 281 A CA 1.998 53.991 52.037 -0.073 0.000 0.633 281 A CB -1.037 17.817 19.000 -0.243 0.000 0.819 281 A HN 0.619 nan 8.150 nan 0.000 0.448 282 A N -1.507 121.458 122.820 0.242 0.000 2.015 282 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 282 A C 2.082 179.650 177.584 -0.027 0.000 1.163 282 A CA 1.892 53.962 52.037 0.056 0.000 0.646 282 A CB -0.365 18.542 19.000 -0.156 0.000 0.806 282 A HN 0.527 nan 8.150 nan 0.000 0.448 283 Q N 0.067 119.836 119.800 -0.051 0.000 2.230 283 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 283 Q C 1.652 177.578 176.000 -0.124 0.000 0.963 283 Q CA 1.197 56.968 55.803 -0.055 0.000 0.866 283 Q CB -0.475 28.232 28.738 -0.052 0.000 0.931 283 Q HN 0.708 nan 8.270 nan 0.000 0.452 284 I N -0.532 119.879 120.570 -0.265 0.000 2.208 284 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 284 I C 1.042 176.871 176.117 -0.480 0.000 1.097 284 I CA 1.167 62.200 61.300 -0.444 0.000 1.363 284 I CB -0.213 37.348 38.000 -0.731 0.000 1.051 284 I HN 0.187 nan 8.210 nan 0.000 0.413 285 F N 0.639 120.503 119.950 -0.144 0.000 2.698 285 F HA 0.292 4.819 4.527 -0.000 0.000 0.295 285 F C 1.872 177.627 175.800 -0.075 0.000 1.124 285 F CA 0.263 58.083 58.000 -0.300 0.000 1.426 285 F CB -1.257 37.212 39.000 -0.885 0.000 1.120 285 F HN 0.118 nan 8.300 nan 0.000 0.583 286 G N 0.754 109.614 108.800 0.100 0.000 2.578 286 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.313 286 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.313 286 G C 0.114 175.312 174.900 0.497 0.000 1.324 286 G CA 0.303 45.551 45.100 0.246 0.000 0.955 286 G HN 0.706 nan 8.290 nan 0.000 0.541 287 S N -1.579 114.281 115.700 0.267 0.000 2.599 287 S HA 0.744 5.214 4.470 -0.000 0.000 0.294 287 S C -0.932 173.554 174.600 -0.190 0.000 1.094 287 S CA 0.011 58.276 58.200 0.110 0.000 0.931 287 S CB 2.596 65.877 63.200 0.134 0.000 1.093 287 S HN 1.903 nan 8.310 nan 0.000 0.488 288 Y N 0.787 120.661 120.300 -0.709 0.000 2.544 288 Y HA 0.599 5.149 4.550 -0.000 0.000 0.342 288 Y C -1.468 174.223 175.900 -0.347 0.000 1.062 288 Y CA -0.679 57.033 58.100 -0.646 0.000 1.023 288 Y CB 1.815 39.552 38.460 -1.206 0.000 1.308 288 Y HN 0.977 nan 8.280 nan 0.000 0.457 289 N N 3.914 122.084 118.700 -0.883 0.000 2.581 289 N HA 0.438 5.178 4.740 -0.000 0.000 0.279 289 N C 0.116 175.047 175.510 -0.965 0.000 1.124 289 N CA 0.354 53.006 53.050 -0.663 0.000 0.833 289 N CB 1.546 39.888 38.487 -0.242 0.000 1.338 289 N HN 0.891 nan 8.380 nan 0.000 0.533 290 A N 2.765 124.867 122.820 -1.196 0.000 1.997 290 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 290 A C 1.061 178.270 177.584 -0.624 0.000 1.172 290 A CA 1.341 52.835 52.037 -0.905 0.000 0.645 290 A CB -0.658 17.912 19.000 -0.717 0.000 0.813 290 A HN 0.720 nan 8.150 nan 0.000 0.454 291 F N -0.175 119.656 119.950 -0.198 0.000 2.615 291 F HA 0.108 4.635 4.527 -0.000 0.000 0.297 291 F C 0.833 176.579 175.800 -0.089 0.000 1.124 291 F CA 0.277 58.215 58.000 -0.104 0.000 1.451 291 F CB 0.225 39.180 39.000 -0.075 0.000 1.103 291 F HN 0.026 nan 8.300 nan 0.000 0.569 292 E N 1.395 121.602 120.200 0.011 0.000 2.081 292 E HA 0.142 4.491 4.350 -0.000 0.000 0.281 292 E C -1.758 174.833 176.600 -0.016 0.000 0.986 292 E CA -1.818 54.583 56.400 0.000 0.000 0.796 292 E CB 1.187 30.875 29.700 -0.021 0.000 1.085 292 E HN 0.018 nan 8.360 nan 0.000 0.398 293 P HA -0.278 nan 4.420 nan 0.000 0.219 293 P C 1.097 178.410 177.300 0.021 0.000 1.161 293 P CA 2.178 65.288 63.100 0.017 0.000 0.909 293 P CB 0.301 32.012 31.700 0.019 0.000 0.793 294 A N -1.241 121.589 122.820 0.017 0.000 1.972 294 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 294 A C 2.491 180.096 177.584 0.034 0.000 1.169 294 A CA 2.095 54.146 52.037 0.023 0.000 0.635 294 A CB -1.599 17.411 19.000 0.017 0.000 0.810 294 A HN 0.202 nan 8.150 nan 0.000 0.446 295 S N -0.594 115.119 115.700 0.021 0.000 2.382 295 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 295 S C 2.067 176.766 174.600 0.165 0.000 1.027 295 S CA 1.149 59.375 58.200 0.043 0.000 0.991 295 S CB -0.333 62.819 63.200 -0.080 0.000 0.823 295 S HN 0.636 nan 8.310 nan 0.000 0.469 296 R N 0.297 120.886 120.500 0.149 0.000 2.237 296 R HA 0.086 4.426 4.340 -0.000 0.000 0.219 296 R C 1.501 177.875 176.300 0.123 0.000 1.080 296 R CA 0.782 57.017 56.100 0.226 0.000 0.995 296 R CB -0.252 30.135 30.300 0.145 0.000 0.875 296 R HN 0.442 nan 8.270 nan 0.000 0.462 297 L N 0.527 121.800 121.223 0.082 0.000 2.607 297 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 297 L C 0.457 177.354 176.870 0.046 0.000 1.123 297 L CA -0.079 54.792 54.840 0.050 0.000 0.890 297 L CB -0.037 42.043 42.059 0.035 0.000 1.103 297 L HN 0.072 nan 8.230 nan 0.000 0.468 298 Q N 0.791 120.630 119.800 0.064 0.000 2.386 298 Q HA 0.054 4.394 4.340 -0.000 0.000 0.282 298 Q C 0.992 177.016 176.000 0.041 0.000 1.050 298 Q CA 0.308 56.143 55.803 0.054 0.000 0.918 298 Q CB 0.475 29.259 28.738 0.076 0.000 1.266 298 Q HN 0.285 nan 8.270 nan 0.000 0.423 299 G N 3.053 111.870 108.800 0.028 0.000 3.197 299 G HA2 0.302 4.262 3.960 -0.000 0.000 0.257 299 G HA3 0.302 4.262 3.960 -0.000 0.000 0.257 299 G C -0.224 174.690 174.900 0.023 0.000 0.835 299 G CA -0.162 44.948 45.100 0.017 0.000 2.001 299 G HN 0.423 nan 8.290 nan 0.000 0.625 300 I N 0.314 120.910 120.570 0.045 0.000 2.382 300 I HA 0.235 4.404 4.170 -0.000 0.000 0.286 300 I C 0.990 177.144 176.117 0.062 0.000 1.002 300 I CA -0.909 60.437 61.300 0.077 0.000 1.135 300 I CB 2.147 40.236 38.000 0.148 0.000 1.288 300 I HN 0.038 nan 8.210 nan 0.000 0.448 301 K N 3.412 123.852 120.400 0.068 0.000 2.044 301 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 301 K C 1.794 178.388 176.600 -0.010 0.000 1.049 301 K CA 1.615 57.922 56.287 0.034 0.000 0.927 301 K CB -0.226 32.313 32.500 0.064 0.000 0.713 301 K HN 0.559 nan 8.250 nan 0.000 0.443 302 L N 0.831 122.065 121.223 0.019 0.000 2.189 302 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 302 L C 1.531 178.328 176.870 -0.122 0.000 1.097 302 L CA 1.630 56.419 54.840 -0.085 0.000 0.764 302 L CB -0.319 41.677 42.059 -0.105 0.000 0.900 302 L HN 0.232 nan 8.230 nan 0.000 0.436 303 L N -1.005 120.179 121.223 -0.066 0.000 2.265 303 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 303 L C 2.078 178.866 176.870 -0.138 0.000 1.117 303 L CA 0.945 55.707 54.840 -0.130 0.000 0.782 303 L CB -0.800 41.194 42.059 -0.109 0.000 0.914 303 L HN 0.312 nan 8.230 nan 0.000 0.441 304 D N 0.300 120.624 120.400 -0.126 0.000 2.144 304 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 304 D C 1.788 177.966 176.300 -0.205 0.000 0.978 304 D CA 1.247 55.167 54.000 -0.132 0.000 0.833 304 D CB -0.167 40.566 40.800 -0.111 0.000 0.961 304 D HN 0.454 nan 8.370 nan 0.000 0.470 305 N N 0.357 118.858 118.700 -0.333 0.000 2.300 305 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 305 N C 2.034 177.298 175.510 -0.410 0.000 1.016 305 N CA 0.538 53.221 53.050 -0.613 0.000 0.876 305 N CB 0.082 37.855 38.487 -1.189 0.000 0.979 305 N HN 0.303 nan 8.380 nan 0.000 0.432 306 I N -1.844 118.592 120.570 -0.224 0.000 3.427 306 I HA 0.051 4.221 4.170 -0.000 0.000 0.288 306 I C 1.444 177.559 176.117 -0.003 0.000 1.249 306 I CA 0.614 61.883 61.300 -0.053 0.000 1.421 306 I CB -0.004 37.986 38.000 -0.017 0.000 1.086 306 I HN 0.029 nan 8.210 nan 0.000 0.448 307 Q N 1.462 121.231 119.800 -0.052 0.000 2.245 307 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 307 Q C 1.887 177.878 176.000 -0.015 0.000 0.955 307 Q CA 1.247 57.041 55.803 -0.014 0.000 0.870 307 Q CB -0.003 28.720 28.738 -0.025 0.000 0.945 307 Q HN 0.656 nan 8.270 nan 0.000 0.461 308 E N 0.472 120.655 120.200 -0.029 0.000 2.021 308 E HA -0.210 4.139 4.350 -0.000 0.000 0.200 308 E C 0.621 177.112 176.600 -0.182 0.000 1.015 308 E CA 1.275 57.614 56.400 -0.102 0.000 0.824 308 E CB 0.009 29.667 29.700 -0.071 0.000 0.762 308 E HN 0.376 nan 8.360 nan 0.000 0.454 309 Y N 0.098 120.408 120.300 0.015 0.000 2.493 309 Y HA 0.152 4.702 4.550 -0.000 0.000 0.275 309 Y C -0.003 175.912 175.900 0.026 0.000 1.183 309 Y CA 0.037 58.153 58.100 0.026 0.000 1.258 309 Y CB 0.352 38.838 38.460 0.044 0.000 1.108 309 Y HN 0.093 nan 8.280 nan 0.000 0.521 310 Q N 0.432 120.300 119.800 0.114 0.000 2.434 310 Q HA -0.203 4.137 4.340 -0.000 0.000 0.366 310 Q C 0.222 176.288 176.000 0.110 0.000 1.398 310 Q CA 0.086 55.941 55.803 0.086 0.000 1.074 310 Q CB -1.180 27.579 28.738 0.035 0.000 1.236 310 Q HN 0.446 nan 8.270 nan 0.000 0.329 311 L N -0.184 121.120 121.223 0.135 0.000 2.362 311 L HA 0.071 4.411 4.340 -0.000 0.000 0.219 311 L C 1.129 178.068 176.870 0.116 0.000 1.134 311 L CA 1.574 56.491 54.840 0.129 0.000 0.807 311 L CB -0.748 41.403 42.059 0.153 0.000 0.927 311 L HN 0.889 nan 8.230 nan 0.000 0.447 312 C N -5.690 113.696 119.300 0.143 0.000 3.312 312 C HA 0.397 4.857 4.460 -0.000 0.000 0.332 312 C C 0.989 176.048 174.990 0.115 0.000 1.340 312 C CA -1.040 58.061 59.018 0.139 0.000 1.265 312 C CB 0.939 28.816 27.740 0.230 0.000 1.563 312 C HN 0.099 nan 8.230 nan 0.000 0.471 313 D N 1.278 121.707 120.400 0.048 0.000 2.249 313 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 313 D C 0.495 176.771 176.300 -0.040 0.000 0.962 313 D CA 1.491 55.461 54.000 -0.050 0.000 0.860 313 D CB 0.152 41.027 40.800 0.125 0.000 0.955 313 D HN 0.866 nan 8.370 nan 0.000 0.505 314 N N -0.559 118.209 118.700 0.113 0.000 3.127 314 N HA 0.234 4.974 4.740 -0.000 0.000 0.239 314 N C -1.446 174.265 175.510 0.336 0.000 1.407 314 N CA -0.618 52.502 53.050 0.118 0.000 0.891 314 N CB 1.502 40.022 38.487 0.055 0.000 1.447 314 N HN -0.041 nan 8.380 nan 0.000 0.507 315 F N -1.250 118.885 119.950 0.308 0.000 2.668 315 F HA 0.622 5.149 4.527 -0.000 0.000 0.309 315 F C -1.967 174.033 175.800 0.332 0.000 1.117 315 F CA -0.913 57.283 58.000 0.327 0.000 0.951 315 F CB 1.589 40.862 39.000 0.456 0.000 1.323 315 F HN 0.623 nan 8.300 nan 0.000 0.451 316 N N 0.971 120.056 118.700 0.643 0.000 2.503 316 N HA 0.203 4.943 4.740 -0.000 0.000 0.287 316 N C -1.908 173.868 175.510 0.443 0.000 1.096 316 N CA -0.586 52.769 53.050 0.508 0.000 0.936 316 N CB 1.427 40.109 38.487 0.325 0.000 1.570 316 N HN 0.829 nan 8.380 nan 0.000 0.504 317 H N 1.706 120.995 119.070 0.364 0.000 2.551 317 H HA 0.452 5.008 4.556 -0.000 0.000 0.358 317 H C -0.571 174.730 175.328 -0.045 0.000 1.151 317 H CA 0.256 56.314 56.048 0.017 0.000 1.374 317 H CB 1.141 30.895 29.762 -0.013 0.000 1.473 317 H HN 0.604 nan 8.280 nan 0.000 0.574 318 F N -1.311 118.566 119.950 -0.121 0.000 2.668 318 F HA 0.397 4.924 4.527 -0.000 0.000 0.309 318 F C -0.620 174.975 175.800 -0.341 0.000 1.117 318 F CA -1.209 56.702 58.000 -0.147 0.000 0.951 318 F CB 1.589 40.571 39.000 -0.030 0.000 1.323 318 F HN 0.291 nan 8.300 nan 0.000 0.451 319 S N 2.459 118.231 115.700 0.120 0.000 2.389 319 S HA 0.567 5.037 4.470 -0.000 0.000 0.201 319 S C -1.517 173.156 174.600 0.121 0.000 1.422 319 S CA -0.399 57.861 58.200 0.101 0.000 1.216 319 S CB -0.173 63.054 63.200 0.045 0.000 1.130 319 S HN 0.566 nan 8.310 nan 0.000 0.465 320 L N 3.405 124.753 121.223 0.208 0.000 2.367 320 L HA 0.497 4.837 4.340 -0.000 0.000 0.275 320 L C 0.408 177.213 176.870 -0.108 0.000 1.129 320 L CA 0.599 55.445 54.840 0.009 0.000 0.839 320 L CB 1.050 43.165 42.059 0.094 0.000 1.133 320 L HN 0.506 nan 8.230 nan 0.000 0.453 321 S N 3.306 118.816 115.700 -0.317 0.000 2.532 321 S HA 0.743 5.213 4.470 -0.000 0.000 0.299 321 S C -0.952 173.367 174.600 -0.468 0.000 1.105 321 S CA -0.469 57.613 58.200 -0.197 0.000 1.018 321 S CB 1.222 64.513 63.200 0.152 0.000 1.021 321 S HN 0.360 nan 8.310 nan 0.000 0.483 322 Y N 0.574 120.981 120.300 0.178 0.000 2.773 322 Y HA 0.476 5.026 4.550 -0.000 0.000 0.323 322 Y C 1.555 177.512 175.900 0.095 0.000 1.183 322 Y CA -1.181 56.991 58.100 0.120 0.000 1.144 322 Y CB 0.775 39.272 38.460 0.061 0.000 1.340 322 Y HN 0.493 nan 8.280 nan 0.000 0.531 323 K N 0.090 120.641 120.400 0.253 0.000 2.026 323 K HA -0.167 4.152 4.320 -0.000 0.000 0.208 323 K C 0.309 176.984 176.600 0.124 0.000 1.048 323 K CA 2.376 58.751 56.287 0.148 0.000 0.929 323 K CB -0.167 32.404 32.500 0.118 0.000 0.713 323 K HN 0.704 nan 8.250 nan 0.000 0.439 324 D N -0.760 119.711 120.400 0.117 0.000 2.338 324 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 324 D C 0.744 177.131 176.300 0.145 0.000 0.997 324 D CA 0.294 54.355 54.000 0.102 0.000 0.880 324 D CB 0.961 41.797 40.800 0.059 0.000 0.980 324 D HN 0.030 nan 8.370 nan 0.000 0.509 325 S N -1.705 114.107 115.700 0.187 0.000 2.843 325 S HA 0.720 5.190 4.470 -0.000 0.000 0.301 325 S C -1.019 173.818 174.600 0.394 0.000 1.206 325 S CA -0.200 58.173 58.200 0.289 0.000 0.875 325 S CB 1.653 65.087 63.200 0.389 0.000 1.248 325 S HN 0.201 nan 8.310 nan 0.000 0.555 326 G N 0.059 109.160 108.800 0.502 0.000 2.608 326 G HA2 0.602 4.562 3.960 -0.000 0.000 0.291 326 G HA3 0.602 4.562 3.960 -0.000 0.000 0.291 326 G C -2.390 172.835 174.900 0.541 0.000 1.425 326 G CA -0.596 44.802 45.100 0.496 0.000 0.787 326 G HN 0.692 nan 8.290 nan 0.000 0.484 327 L N -0.171 121.342 121.223 0.484 0.000 2.410 327 L HA 0.584 4.923 4.340 -0.000 0.000 0.270 327 L C -1.513 175.667 176.870 0.518 0.000 0.983 327 L CA -0.568 54.545 54.840 0.456 0.000 0.822 327 L CB 2.746 45.060 42.059 0.425 0.000 1.285 327 L HN 0.677 nan 8.230 nan 0.000 0.409 328 W N 4.046 125.484 121.300 0.229 0.000 2.538 328 W HA 0.679 5.339 4.660 -0.000 0.000 0.322 328 W C 0.051 176.499 176.519 -0.118 0.000 1.028 328 W CA 0.127 57.534 57.345 0.103 0.000 1.228 328 W CB 1.782 31.320 29.460 0.130 0.000 1.356 328 W HN 0.604 nan 8.180 nan 0.000 0.452 329 G N 3.497 111.749 108.800 -0.914 0.000 2.485 329 G HA2 0.424 4.384 3.960 -0.000 0.000 0.182 329 G HA3 0.424 4.384 3.960 -0.000 0.000 0.182 329 G C -1.550 172.611 174.900 -1.231 0.000 1.172 329 G CA -0.167 44.461 45.100 -0.786 0.000 0.996 329 G HN 1.013 nan 8.290 nan 0.000 0.496 330 F N -0.944 118.483 119.950 -0.870 0.000 2.713 330 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 330 F C -0.888 174.915 175.800 0.005 0.000 1.141 330 F CA -0.928 56.669 58.000 -0.671 0.000 0.939 330 F CB 1.627 40.126 39.000 -0.835 0.000 1.325 330 F HN 0.583 nan 8.300 nan 0.000 0.453 331 S N 0.745 116.337 115.700 -0.179 0.000 2.600 331 S HA 0.823 5.293 4.470 -0.000 0.000 0.300 331 S C -1.029 173.439 174.600 -0.219 0.000 1.087 331 S CA -0.620 57.474 58.200 -0.176 0.000 0.965 331 S CB 2.045 65.358 63.200 0.190 0.000 1.089 331 S HN 0.905 nan 8.310 nan 0.000 0.496 332 T N 0.457 114.919 114.554 -0.153 0.000 2.886 332 T HA 0.678 5.028 4.350 -0.000 0.000 0.330 332 T C -2.067 172.662 174.700 0.048 0.000 1.488 332 T CA -0.320 61.801 62.100 0.035 0.000 1.054 332 T CB 1.284 70.174 68.868 0.036 0.000 1.348 332 T HN 0.854 nan 8.240 nan 0.000 0.489 333 A N 1.878 124.722 122.820 0.038 0.000 2.393 333 A HA 0.876 5.196 4.320 -0.000 0.000 0.306 333 A C -0.314 177.169 177.584 -0.167 0.000 1.050 333 A CA -0.583 51.330 52.037 -0.205 0.000 0.724 333 A CB 2.022 20.893 19.000 -0.216 0.000 1.248 333 A HN 0.980 nan 8.150 nan 0.000 0.424 334 T N 0.314 114.693 114.554 -0.292 0.000 2.889 334 T HA 0.491 4.841 4.350 -0.000 0.000 0.315 334 T C 0.091 174.666 174.700 -0.208 0.000 1.291 334 T CA -0.477 61.525 62.100 -0.163 0.000 1.028 334 T CB 1.308 70.140 68.868 -0.062 0.000 1.235 334 T HN 0.612 nan 8.240 nan 0.000 0.491 335 R N 1.775 122.209 120.500 -0.109 0.000 2.362 335 R HA 0.256 4.596 4.340 -0.000 0.000 0.227 335 R C 0.734 177.005 176.300 -0.048 0.000 0.905 335 R CA -0.042 56.005 56.100 -0.088 0.000 1.067 335 R CB 0.125 30.405 30.300 -0.033 0.000 1.078 335 R HN 0.535 nan 8.270 nan 0.000 0.516 336 N N 1.471 120.152 118.700 -0.032 0.000 3.245 336 N HA -0.012 4.728 4.740 -0.000 0.000 0.296 336 N C 1.286 176.782 175.510 -0.024 0.000 1.254 336 N CA -0.308 52.738 53.050 -0.007 0.000 1.190 336 N CB 0.688 39.190 38.487 0.025 0.000 1.460 336 N HN 0.011 nan 8.380 nan 0.000 0.538 337 V N -0.898 118.994 119.914 -0.037 0.000 3.026 337 V HA -0.124 3.996 4.120 -0.000 0.000 0.265 337 V C 1.772 177.845 176.094 -0.035 0.000 1.121 337 V CA 1.880 64.154 62.300 -0.043 0.000 1.142 337 V CB -0.931 30.864 31.823 -0.047 0.000 0.730 337 V HN 0.569 nan 8.190 nan 0.000 0.503 338 T N -3.655 110.882 114.554 -0.028 0.000 3.069 338 T HA 0.345 4.695 4.350 -0.000 0.000 0.252 338 T C 1.070 175.741 174.700 -0.048 0.000 1.053 338 T CA 0.376 62.455 62.100 -0.035 0.000 0.964 338 T CB -0.040 68.812 68.868 -0.028 0.000 1.005 338 T HN 0.486 nan 8.240 nan 0.000 0.532 339 M N 0.189 119.765 119.600 -0.040 0.000 2.603 339 M HA 0.475 4.955 4.480 -0.000 0.000 0.380 339 M C 0.798 177.073 176.300 -0.042 0.000 1.158 339 M CA -0.143 55.126 55.300 -0.052 0.000 0.921 339 M CB 0.267 32.844 32.600 -0.039 0.000 1.417 339 M HN 0.088 nan 8.290 nan 0.000 0.523 340 I N 1.667 122.212 120.570 -0.042 0.000 2.264 340 I HA -0.319 3.850 4.170 -0.000 0.000 0.248 340 I C 2.358 178.442 176.117 -0.054 0.000 1.111 340 I CA 1.567 62.846 61.300 -0.035 0.000 1.382 340 I CB -0.336 37.642 38.000 -0.036 0.000 1.060 340 I HN 0.492 nan 8.210 nan 0.000 0.418 341 D N 0.611 120.961 120.400 -0.085 0.000 2.178 341 D HA -0.249 4.391 4.640 -0.000 0.000 0.201 341 D C 1.360 177.566 176.300 -0.156 0.000 0.980 341 D CA 1.399 55.327 54.000 -0.120 0.000 0.842 341 D CB -0.521 40.193 40.800 -0.144 0.000 0.948 341 D HN 0.372 nan 8.370 nan 0.000 0.472 342 D N 0.749 121.050 120.400 -0.165 0.000 2.149 342 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 342 D C 2.307 178.531 176.300 -0.127 0.000 0.972 342 D CA 0.069 53.920 54.000 -0.248 0.000 0.835 342 D CB -0.002 40.700 40.800 -0.163 0.000 0.966 342 D HN 0.248 nan 8.370 nan 0.000 0.476 343 L N 0.930 122.146 121.223 -0.011 0.000 1.989 343 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 343 L C 2.209 179.055 176.870 -0.040 0.000 1.071 343 L CA 1.093 55.959 54.840 0.044 0.000 0.749 343 L CB -0.106 41.990 42.059 0.062 0.000 0.890 343 L HN -0.035 nan 8.230 nan 0.000 0.431 344 I N -0.588 119.943 120.570 -0.066 0.000 2.252 344 I HA -0.290 3.879 4.170 -0.000 0.000 0.245 344 I C 2.474 178.445 176.117 -0.244 0.000 1.102 344 I CA 1.435 62.657 61.300 -0.130 0.000 1.385 344 I CB -1.776 36.173 38.000 -0.084 0.000 1.064 344 I HN 0.427 nan 8.210 nan 0.000 0.414 345 H N 1.162 120.035 119.070 -0.328 0.000 2.290 345 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 345 H C 2.040 177.143 175.328 -0.374 0.000 1.087 345 H CA 1.998 57.805 56.048 -0.402 0.000 1.291 345 H CB -0.337 29.116 29.762 -0.515 0.000 1.369 345 H HN 0.113 nan 8.280 nan 0.000 0.492 346 F N 0.187 119.912 119.950 -0.374 0.000 2.186 346 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 346 F C 2.724 178.201 175.800 -0.539 0.000 1.090 346 F CA 1.566 59.308 58.000 -0.431 0.000 1.307 346 F CB -0.983 37.867 39.000 -0.251 0.000 1.019 346 F HN 0.191 nan 8.300 nan 0.000 0.489 347 T N 0.354 114.635 114.554 -0.454 0.000 2.674 347 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 347 T C 2.026 175.978 174.700 -1.248 0.000 1.039 347 T CA 1.194 62.763 62.100 -0.886 0.000 1.150 347 T CB -0.573 67.602 68.868 -1.156 0.000 0.864 347 T HN -0.009 nan 8.240 nan 0.000 0.427 348 L N 0.792 121.349 121.223 -1.111 0.000 2.191 348 L HA 0.059 4.399 4.340 -0.000 0.000 0.212 348 L C 2.323 178.860 176.870 -0.555 0.000 1.103 348 L CA 1.411 55.658 54.840 -0.987 0.000 0.769 348 L CB -0.654 41.020 42.059 -0.642 0.000 0.908 348 L HN 0.035 nan 8.230 nan 0.000 0.438 349 K N -0.751 119.344 120.400 -0.508 0.000 2.097 349 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 349 K C 2.127 178.607 176.600 -0.200 0.000 1.050 349 K CA 1.083 57.167 56.287 -0.338 0.000 0.938 349 K CB -0.086 32.165 32.500 -0.416 0.000 0.718 349 K HN 0.206 nan 8.250 nan 0.000 0.442 350 Q N -0.949 118.677 119.800 -0.291 0.000 2.079 350 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 350 Q C 1.841 177.837 176.000 -0.007 0.000 0.974 350 Q CA 1.144 56.840 55.803 -0.178 0.000 0.840 350 Q CB -0.306 28.201 28.738 -0.385 0.000 0.898 350 Q HN 0.390 nan 8.270 nan 0.000 0.430 351 W N 1.579 122.658 121.300 -0.369 0.000 2.342 351 W HA -0.125 4.535 4.660 -0.000 0.000 0.297 351 W C 1.798 178.351 176.519 0.057 0.000 1.213 351 W CA 0.645 57.919 57.345 -0.118 0.000 1.251 351 W CB -1.351 28.049 29.460 -0.101 0.000 1.136 351 W HN 0.360 nan 8.180 nan 0.000 0.526 352 N N 0.012 118.852 118.700 0.233 0.000 2.137 352 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 352 N C 1.771 177.498 175.510 0.362 0.000 1.017 352 N CA 1.545 54.767 53.050 0.286 0.000 0.859 352 N CB -0.434 38.139 38.487 0.144 0.000 1.002 352 N HN 0.145 nan 8.380 nan 0.000 0.428 353 R N 0.841 121.504 120.500 0.272 0.000 2.139 353 R HA -0.101 4.239 4.340 -0.000 0.000 0.243 353 R C 2.047 178.484 176.300 0.228 0.000 1.145 353 R CA 0.853 57.096 56.100 0.239 0.000 0.976 353 R CB -0.436 30.001 30.300 0.229 0.000 0.866 353 R HN 0.330 nan 8.270 nan 0.000 0.449 354 L N -0.101 121.296 121.223 0.291 0.000 2.187 354 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 354 L C 2.008 178.957 176.870 0.132 0.000 1.100 354 L CA 1.284 56.254 54.840 0.215 0.000 0.765 354 L CB -0.490 41.721 42.059 0.253 0.000 0.904 354 L HN 0.251 nan 8.230 nan 0.000 0.437 355 T N -0.168 114.467 114.554 0.134 0.000 2.976 355 T HA 0.003 4.353 4.350 -0.000 0.000 0.257 355 T C 1.729 176.375 174.700 -0.090 0.000 1.051 355 T CA 1.223 63.325 62.100 0.003 0.000 1.141 355 T CB 0.144 69.008 68.868 -0.008 0.000 0.881 355 T HN 0.459 nan 8.240 nan 0.000 0.461 356 I N -0.851 119.700 120.570 -0.033 0.000 3.939 356 I HA 0.347 4.517 4.170 -0.000 0.000 0.313 356 I C 1.162 177.279 176.117 0.000 0.000 1.274 356 I CA 0.128 61.390 61.300 -0.063 0.000 1.301 356 I CB 0.544 38.498 38.000 -0.076 0.000 1.105 356 I HN 0.143 nan 8.210 nan 0.000 0.427 357 S N 0.347 116.074 115.700 0.046 0.000 3.088 357 S HA 0.242 4.712 4.470 -0.000 0.000 0.249 357 S C -0.057 174.574 174.600 0.051 0.000 0.877 357 S CA -0.295 57.931 58.200 0.043 0.000 1.184 357 S CB -0.523 62.707 63.200 0.050 0.000 1.170 357 S HN 0.137 nan 8.310 nan 0.000 0.603 358 V N 4.394 124.343 119.914 0.058 0.000 2.617 358 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 358 V C 0.753 176.856 176.094 0.015 0.000 1.040 358 V CA 1.076 63.403 62.300 0.045 0.000 1.149 358 V CB 0.640 32.486 31.823 0.037 0.000 0.914 358 V HN 0.742 nan 8.190 nan 0.000 0.487 359 T N 2.207 116.765 114.554 0.006 0.000 2.882 359 T HA 0.175 4.525 4.350 -0.000 0.000 0.287 359 T C 1.055 175.745 174.700 -0.017 0.000 1.014 359 T CA 0.049 62.147 62.100 -0.004 0.000 1.049 359 T CB 1.157 70.024 68.868 -0.002 0.000 1.001 359 T HN 0.789 nan 8.240 nan 0.000 0.525 360 D N 0.600 120.990 120.400 -0.016 0.000 2.104 360 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 360 D C 2.047 178.329 176.300 -0.029 0.000 0.994 360 D CA 2.141 56.127 54.000 -0.022 0.000 0.830 360 D CB -0.244 40.545 40.800 -0.018 0.000 0.959 360 D HN 0.827 nan 8.370 nan 0.000 0.452 361 T N -1.474 113.065 114.554 -0.026 0.000 3.035 361 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 361 T C 1.666 176.343 174.700 -0.039 0.000 1.109 361 T CA 1.025 63.107 62.100 -0.029 0.000 1.119 361 T CB -0.052 68.803 68.868 -0.022 0.000 0.900 361 T HN 0.163 nan 8.240 nan 0.000 0.503 362 E N 0.059 120.233 120.200 -0.044 0.000 2.072 362 E HA -0.005 4.344 4.350 -0.000 0.000 0.190 362 E C 2.306 178.854 176.600 -0.087 0.000 0.982 362 E CA 0.889 57.249 56.400 -0.067 0.000 0.803 362 E CB -0.019 29.637 29.700 -0.072 0.000 0.755 362 E HN 0.345 nan 8.360 nan 0.000 0.453 363 V N 1.765 121.634 119.914 -0.074 0.000 2.358 363 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 363 V C 2.112 178.161 176.094 -0.076 0.000 1.047 363 V CA 1.552 63.805 62.300 -0.079 0.000 1.035 363 V CB -0.308 31.479 31.823 -0.060 0.000 0.658 363 V HN 0.207 nan 8.190 nan 0.000 0.452 364 E N -0.060 120.102 120.200 -0.062 0.000 2.106 364 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 364 E C 2.316 178.876 176.600 -0.067 0.000 0.984 364 E CA 0.842 57.206 56.400 -0.061 0.000 0.806 364 E CB -0.314 29.358 29.700 -0.048 0.000 0.750 364 E HN 0.478 nan 8.360 nan 0.000 0.458 365 R N 0.549 121.011 120.500 -0.063 0.000 2.092 365 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 365 R C 2.114 178.371 176.300 -0.072 0.000 1.119 365 R CA 1.157 57.221 56.100 -0.059 0.000 0.970 365 R CB -0.051 30.219 30.300 -0.051 0.000 0.864 365 R HN 0.108 nan 8.270 nan 0.000 0.440 366 A N 1.132 123.899 122.820 -0.088 0.000 1.930 366 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 366 A C 1.957 179.481 177.584 -0.099 0.000 1.175 366 A CA 1.211 53.190 52.037 -0.097 0.000 0.627 366 A CB -0.228 18.700 19.000 -0.120 0.000 0.815 366 A HN 0.275 nan 8.150 nan 0.000 0.443 367 K N 0.065 120.400 120.400 -0.107 0.000 2.009 367 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 367 K C 2.427 178.926 176.600 -0.168 0.000 1.049 367 K CA 1.724 57.930 56.287 -0.134 0.000 0.929 367 K CB -0.256 32.170 32.500 -0.124 0.000 0.714 367 K HN 0.457 nan 8.250 nan 0.000 0.440 368 S N 1.582 117.201 115.700 -0.134 0.000 2.351 368 S HA -0.132 4.338 4.470 -0.000 0.000 0.220 368 S C 2.005 176.531 174.600 -0.124 0.000 1.035 368 S CA 1.255 59.375 58.200 -0.133 0.000 1.031 368 S CB -0.368 62.782 63.200 -0.084 0.000 0.928 368 S HN 0.184 nan 8.310 nan 0.000 0.433 369 L N 1.072 122.245 121.223 -0.084 0.000 2.131 369 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 369 L C 2.376 179.213 176.870 -0.054 0.000 1.092 369 L CA 0.771 55.578 54.840 -0.054 0.000 0.759 369 L CB -0.422 41.616 42.059 -0.034 0.000 0.903 369 L HN 0.296 nan 8.230 nan 0.000 0.435 370 L N -0.224 120.950 121.223 -0.081 0.000 2.027 370 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 370 L C 2.671 179.489 176.870 -0.086 0.000 1.074 370 L CA 1.497 56.302 54.840 -0.058 0.000 0.745 370 L CB -0.151 41.870 42.059 -0.063 0.000 0.898 370 L HN 0.239 nan 8.230 nan 0.000 0.433 371 K N -0.319 119.924 120.400 -0.262 0.000 2.020 371 K HA -0.276 4.044 4.320 -0.000 0.000 0.212 371 K C 1.960 178.490 176.600 -0.116 0.000 1.050 371 K CA 1.771 57.742 56.287 -0.527 0.000 0.929 371 K CB -0.470 31.435 32.500 -0.992 0.000 0.714 371 K HN 0.156 nan 8.250 nan 0.000 0.443 372 L N 2.051 123.233 121.223 -0.068 0.000 2.043 372 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 372 L C 2.590 179.505 176.870 0.076 0.000 1.075 372 L CA 1.909 56.770 54.840 0.035 0.000 0.752 372 L CB -0.584 41.480 42.059 0.009 0.000 0.891 372 L HN 0.284 nan 8.230 nan 0.000 0.432 373 Q N -1.030 118.805 119.800 0.058 0.000 2.079 373 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 373 Q C 2.153 178.226 176.000 0.122 0.000 0.974 373 Q CA 2.029 57.877 55.803 0.075 0.000 0.840 373 Q CB -0.802 27.970 28.738 0.058 0.000 0.898 373 Q HN 0.563 nan 8.270 nan 0.000 0.430 374 L N 0.828 122.168 121.223 0.195 0.000 2.131 374 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 374 L C 2.542 179.642 176.870 0.383 0.000 1.092 374 L CA 1.037 56.084 54.840 0.345 0.000 0.759 374 L CB -0.846 41.501 42.059 0.480 0.000 0.903 374 L HN 0.558 nan 8.230 nan 0.000 0.435 375 G N -0.745 108.256 108.800 0.334 0.000 2.433 375 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 375 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 375 G C 1.436 176.438 174.900 0.169 0.000 1.186 375 G CA 0.241 45.507 45.100 0.278 0.000 0.779 375 G HN 0.372 nan 8.290 nan 0.000 0.543 376 Q N -0.479 119.392 119.800 0.118 0.000 2.364 376 Q HA 0.103 4.443 4.340 -0.000 0.000 0.209 376 Q C 2.324 178.339 176.000 0.025 0.000 0.977 376 Q CA 0.330 56.171 55.803 0.063 0.000 0.885 376 Q CB -0.092 28.675 28.738 0.048 0.000 0.941 376 Q HN 0.428 nan 8.270 nan 0.000 0.464 377 L N -1.157 120.067 121.223 0.001 0.000 2.121 377 L HA -0.092 4.248 4.340 -0.000 0.000 0.200 377 L C 1.582 178.340 176.870 -0.186 0.000 1.077 377 L CA 1.179 55.931 54.840 -0.147 0.000 0.766 377 L CB -0.095 41.786 42.059 -0.297 0.000 0.931 377 L HN 0.216 nan 8.230 nan 0.000 0.452 378 Y N 0.438 120.775 120.300 0.062 0.000 2.337 378 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 378 Y C 1.564 177.473 175.900 0.016 0.000 1.123 378 Y CA 0.592 58.715 58.100 0.038 0.000 1.201 378 Y CB 0.063 38.548 38.460 0.042 0.000 1.011 378 Y HN 0.246 nan 8.280 nan 0.000 0.545 379 E N 0.181 120.473 120.200 0.154 0.000 2.411 379 E HA 0.111 4.461 4.350 -0.000 0.000 0.228 379 E C 0.034 176.663 176.600 0.048 0.000 1.169 379 E CA -0.220 56.230 56.400 0.083 0.000 1.421 379 E CB 0.277 30.019 29.700 0.070 0.000 1.333 379 E HN 0.023 nan 8.360 nan 0.000 0.434 380 S N -0.713 115.008 115.700 0.036 0.000 2.592 380 S HA 0.233 4.703 4.470 -0.000 0.000 0.271 380 S C 1.400 176.006 174.600 0.009 0.000 1.326 380 S CA -0.168 58.041 58.200 0.015 0.000 1.024 380 S CB 1.274 64.475 63.200 0.001 0.000 0.921 380 S HN 0.360 nan 8.310 nan 0.000 0.527 381 G N 2.655 111.455 108.800 0.001 0.000 2.534 381 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 381 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 381 G C 0.546 175.442 174.900 -0.006 0.000 1.128 381 G CA -0.027 45.068 45.100 -0.007 0.000 0.784 381 G HN 0.714 nan 8.290 nan 0.000 0.542 382 N N 0.711 119.409 118.700 -0.003 0.000 2.430 382 N HA 0.284 5.024 4.740 -0.000 0.000 0.265 382 N C -1.534 173.979 175.510 0.004 0.000 1.100 382 N CA -1.726 51.325 53.050 0.000 0.000 0.961 382 N CB 1.810 40.297 38.487 -0.000 0.000 1.075 382 N HN -0.167 nan 8.380 nan 0.000 0.478 383 P HA -0.146 nan 4.420 nan 0.000 0.219 383 P C 1.379 178.686 177.300 0.011 0.000 1.150 383 P CA 0.680 63.785 63.100 0.009 0.000 0.814 383 P CB 0.126 31.833 31.700 0.012 0.000 0.787 384 V N -1.704 118.218 119.914 0.013 0.000 2.490 384 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 384 V C 1.684 177.786 176.094 0.015 0.000 1.061 384 V CA 2.089 64.399 62.300 0.016 0.000 1.064 384 V CB -1.676 30.159 31.823 0.020 0.000 0.670 384 V HN 0.065 nan 8.190 nan 0.000 0.461 385 N N 0.535 119.241 118.700 0.010 0.000 2.084 385 N HA -0.175 4.564 4.740 -0.000 0.000 0.190 385 N C 1.626 177.139 175.510 0.006 0.000 1.030 385 N CA 1.639 54.693 53.050 0.006 0.000 0.849 385 N CB -0.280 38.204 38.487 -0.005 0.000 1.012 385 N HN 0.561 nan 8.380 nan 0.000 0.423 386 D N 0.880 121.287 120.400 0.011 0.000 2.178 386 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 386 D C 1.877 178.181 176.300 0.006 0.000 0.980 386 D CA 0.687 54.700 54.000 0.022 0.000 0.842 386 D CB -0.133 40.681 40.800 0.023 0.000 0.948 386 D HN 0.293 nan 8.370 nan 0.000 0.472 387 A N 1.281 124.100 122.820 -0.001 0.000 1.877 387 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 387 A C 2.041 179.602 177.584 -0.038 0.000 1.186 387 A CA 1.621 53.648 52.037 -0.016 0.000 0.620 387 A CB -0.752 18.246 19.000 -0.004 0.000 0.822 387 A HN 0.173 nan 8.150 nan 0.000 0.443 388 N N -0.165 118.525 118.700 -0.016 0.000 2.120 388 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 388 N C 1.589 177.020 175.510 -0.131 0.000 1.024 388 N CA 1.382 54.418 53.050 -0.023 0.000 0.852 388 N CB -0.313 38.234 38.487 0.100 0.000 1.003 388 N HN 0.459 nan 8.380 nan 0.000 0.424 389 L N 0.199 121.391 121.223 -0.053 0.000 2.056 389 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 389 L C 2.210 179.052 176.870 -0.046 0.000 1.078 389 L CA 0.816 55.642 54.840 -0.023 0.000 0.749 389 L CB -0.397 41.707 42.059 0.074 0.000 0.901 389 L HN 0.251 nan 8.230 nan 0.000 0.433 390 L N -0.513 120.684 121.223 -0.043 0.000 1.976 390 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 390 L C 2.528 179.328 176.870 -0.116 0.000 1.071 390 L CA 1.688 56.492 54.840 -0.060 0.000 0.746 390 L CB -0.774 41.257 42.059 -0.048 0.000 0.890 390 L HN 0.303 nan 8.230 nan 0.000 0.432 391 G N -0.880 107.830 108.800 -0.150 0.000 2.491 391 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 391 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 391 G C 1.639 176.379 174.900 -0.266 0.000 1.180 391 G CA 0.946 45.934 45.100 -0.186 0.000 0.774 391 G HN 0.570 nan 8.290 nan 0.000 0.562 392 A N 0.528 123.060 122.820 -0.480 0.000 1.917 392 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 392 A C 2.190 179.602 177.584 -0.287 0.000 1.182 392 A CA 2.237 53.889 52.037 -0.641 0.000 0.633 392 A CB -0.512 17.783 19.000 -1.174 0.000 0.819 392 A HN 0.477 nan 8.150 nan 0.000 0.448 393 E N -0.525 119.558 120.200 -0.194 0.000 2.072 393 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 393 E C 1.992 178.539 176.600 -0.088 0.000 0.985 393 E CA 1.526 57.862 56.400 -0.107 0.000 0.801 393 E CB -0.149 29.514 29.700 -0.062 0.000 0.750 393 E HN 0.584 nan 8.360 nan 0.000 0.452 394 V N -1.179 118.681 119.914 -0.091 0.000 2.809 394 V HA -0.097 4.023 4.120 -0.000 0.000 0.256 394 V C 2.028 178.091 176.094 -0.053 0.000 1.080 394 V CA 1.020 63.280 62.300 -0.066 0.000 1.102 394 V CB -0.488 31.297 31.823 -0.064 0.000 0.705 394 V HN 0.188 nan 8.190 nan 0.000 0.475 395 L N -0.640 120.545 121.223 -0.063 0.000 2.201 395 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 395 L C 2.399 179.263 176.870 -0.011 0.000 1.105 395 L CA 1.614 56.436 54.840 -0.029 0.000 0.775 395 L CB -0.250 41.794 42.059 -0.026 0.000 0.913 395 L HN 0.312 nan 8.230 nan 0.000 0.440 396 I N -0.412 120.142 120.570 -0.025 0.000 2.594 396 I HA -0.148 4.022 4.170 -0.000 0.000 0.237 396 I C 1.922 178.027 176.117 -0.020 0.000 1.071 396 I CA 0.712 62.005 61.300 -0.012 0.000 1.427 396 I CB -0.077 37.915 38.000 -0.015 0.000 1.218 396 I HN 0.146 nan 8.210 nan 0.000 0.444 397 K N 1.253 121.630 120.400 -0.038 0.000 2.410 397 K HA 0.334 4.654 4.320 -0.000 0.000 0.200 397 K C 1.252 177.832 176.600 -0.032 0.000 1.023 397 K CA 0.706 56.970 56.287 -0.037 0.000 1.149 397 K CB 0.664 33.131 32.500 -0.054 0.000 0.859 397 K HN 0.416 nan 8.250 nan 0.000 0.514 398 G N 1.338 110.120 108.800 -0.030 0.000 2.377 398 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.250 398 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.250 398 G C 0.271 175.150 174.900 -0.035 0.000 1.039 398 G CA 0.777 45.861 45.100 -0.027 0.000 0.625 398 G HN 0.693 nan 8.290 nan 0.000 0.526 399 S N -1.164 114.510 115.700 -0.043 0.000 2.661 399 S HA 0.732 5.202 4.470 -0.000 0.000 0.285 399 S C -0.726 173.837 174.600 -0.061 0.000 1.138 399 S CA -0.116 58.054 58.200 -0.050 0.000 0.855 399 S CB 2.593 65.766 63.200 -0.044 0.000 1.136 399 S HN 0.708 nan 8.310 nan 0.000 0.484 400 K N 0.591 120.950 120.400 -0.068 0.000 2.172 400 K HA 0.468 4.788 4.320 -0.000 0.000 0.276 400 K C -0.781 175.757 176.600 -0.103 0.000 1.013 400 K CA -0.901 55.338 56.287 -0.081 0.000 0.913 400 K CB 0.758 33.214 32.500 -0.074 0.000 1.055 400 K HN 0.613 nan 8.250 nan 0.000 0.461 401 L N 4.464 125.609 121.223 -0.130 0.000 2.477 401 L HA 0.071 4.410 4.340 -0.000 0.000 0.272 401 L C -0.395 176.351 176.870 -0.207 0.000 1.157 401 L CA 0.640 55.397 54.840 -0.138 0.000 0.889 401 L CB 0.453 42.446 42.059 -0.110 0.000 1.158 401 L HN 0.696 nan 8.230 nan 0.000 0.473 402 S N 4.610 120.219 115.700 -0.151 0.000 2.531 402 S HA 0.110 4.580 4.470 -0.000 0.000 0.279 402 S C 1.132 175.605 174.600 -0.211 0.000 1.305 402 S CA -0.705 57.391 58.200 -0.173 0.000 1.058 402 S CB 0.832 63.956 63.200 -0.126 0.000 0.899 402 S HN 0.741 nan 8.310 nan 0.000 0.493 403 L N 4.380 125.436 121.223 -0.278 0.000 2.079 403 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 403 L C 2.350 178.949 176.870 -0.452 0.000 1.081 403 L CA 2.355 56.981 54.840 -0.356 0.000 0.752 403 L CB -1.393 40.425 42.059 -0.402 0.000 0.896 403 L HN 0.998 nan 8.230 nan 0.000 0.433 404 G N -1.694 106.893 108.800 -0.355 0.000 2.422 404 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 404 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 404 G C 1.475 176.291 174.900 -0.139 0.000 1.140 404 G CA 0.393 45.326 45.100 -0.279 0.000 0.775 404 G HN 0.361 nan 8.290 nan 0.000 0.545 405 E N 0.584 120.711 120.200 -0.121 0.000 2.216 405 E HA 0.095 4.444 4.350 -0.000 0.000 0.192 405 E C 2.814 179.352 176.600 -0.105 0.000 0.988 405 E CA 0.748 57.100 56.400 -0.081 0.000 0.834 405 E CB -0.116 29.547 29.700 -0.061 0.000 0.772 405 E HN 0.359 nan 8.360 nan 0.000 0.479 406 A N 0.681 123.431 122.820 -0.116 0.000 1.872 406 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 406 A C 1.894 179.378 177.584 -0.166 0.000 1.187 406 A CA 0.841 52.717 52.037 -0.268 0.000 0.614 406 A CB -0.670 18.302 19.000 -0.046 0.000 0.826 406 A HN 0.118 nan 8.150 nan 0.000 0.442 407 F N 0.599 120.406 119.950 -0.238 0.000 2.161 407 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 407 F C 2.215 177.912 175.800 -0.171 0.000 1.089 407 F CA 1.366 59.261 58.000 -0.175 0.000 1.282 407 F CB -0.508 38.432 39.000 -0.101 0.000 1.010 407 F HN 0.215 nan 8.300 nan 0.000 0.485 408 K N 0.044 120.462 120.400 0.031 0.000 2.103 408 K HA -0.125 4.194 4.320 -0.000 0.000 0.204 408 K C 1.999 178.553 176.600 -0.078 0.000 1.052 408 K CA 1.051 57.325 56.287 -0.023 0.000 0.945 408 K CB -0.118 32.368 32.500 -0.022 0.000 0.722 408 K HN 0.194 nan 8.250 nan 0.000 0.443 409 K N 0.732 121.040 120.400 -0.153 0.000 2.097 409 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 409 K C 2.046 178.538 176.600 -0.181 0.000 1.050 409 K CA 1.016 57.201 56.287 -0.170 0.000 0.938 409 K CB -0.044 32.298 32.500 -0.264 0.000 0.718 409 K HN 0.088 nan 8.250 nan 0.000 0.442 410 I N 1.488 121.897 120.570 -0.269 0.000 2.226 410 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 410 I C 1.582 177.622 176.117 -0.130 0.000 1.100 410 I CA 1.170 62.348 61.300 -0.203 0.000 1.374 410 I CB -0.232 37.614 38.000 -0.256 0.000 1.057 410 I HN 0.135 nan 8.210 nan 0.000 0.413 411 D N 1.069 121.401 120.400 -0.113 0.000 2.178 411 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 411 D C 2.200 178.466 176.300 -0.056 0.000 0.974 411 D CA 1.296 55.248 54.000 -0.079 0.000 0.841 411 D CB -0.037 40.729 40.800 -0.057 0.000 0.953 411 D HN 0.324 nan 8.370 nan 0.000 0.478 412 A N 0.642 123.432 122.820 -0.051 0.000 2.121 412 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 412 A C 1.301 178.870 177.584 -0.025 0.000 1.154 412 A CA 0.089 52.108 52.037 -0.031 0.000 0.679 412 A CB -0.450 18.536 19.000 -0.023 0.000 0.795 412 A HN 0.167 nan 8.150 nan 0.000 0.458 413 I N 1.801 122.350 120.570 -0.034 0.000 2.618 413 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 413 I C 0.952 177.052 176.117 -0.029 0.000 1.146 413 I CA 0.210 61.493 61.300 -0.028 0.000 1.425 413 I CB 0.825 38.801 38.000 -0.040 0.000 1.383 413 I HN 0.357 nan 8.210 nan 0.000 0.562 414 T N 1.748 116.291 114.554 -0.019 0.000 2.927 414 T HA 0.369 4.719 4.350 -0.000 0.000 0.286 414 T C 0.941 175.632 174.700 -0.015 0.000 1.040 414 T CA -0.873 61.217 62.100 -0.017 0.000 1.010 414 T CB 1.686 70.548 68.868 -0.010 0.000 1.177 414 T HN 0.197 nan 8.240 nan 0.000 0.546 415 V N 1.183 121.088 119.914 -0.014 0.000 2.343 415 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 415 V C 2.747 178.842 176.094 0.001 0.000 1.051 415 V CA 1.781 64.076 62.300 -0.009 0.000 1.036 415 V CB -0.924 30.893 31.823 -0.010 0.000 0.654 415 V HN 0.865 nan 8.190 nan 0.000 0.451 416 K N -0.150 120.250 120.400 0.000 0.000 2.063 416 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 416 K C 1.932 178.543 176.600 0.019 0.000 1.048 416 K CA 1.758 58.047 56.287 0.004 0.000 0.928 416 K CB -0.340 32.160 32.500 0.000 0.000 0.713 416 K HN 0.454 nan 8.250 nan 0.000 0.442 417 D N 0.512 120.925 120.400 0.022 0.000 2.104 417 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 417 D C 2.008 178.352 176.300 0.075 0.000 0.994 417 D CA 1.066 55.091 54.000 0.041 0.000 0.830 417 D CB -0.392 40.422 40.800 0.023 0.000 0.959 417 D HN -0.068 nan 8.370 nan 0.000 0.452 418 V N 1.180 121.125 119.914 0.051 0.000 2.287 418 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 418 V C 2.344 178.526 176.094 0.147 0.000 1.053 418 V CA 1.673 64.026 62.300 0.088 0.000 1.027 418 V CB -0.362 31.477 31.823 0.027 0.000 0.646 418 V HN 0.203 nan 8.190 nan 0.000 0.447 419 K N 0.148 120.591 120.400 0.072 0.000 2.097 419 K HA -0.117 4.202 4.320 -0.000 0.000 0.206 419 K C 2.285 178.895 176.600 0.016 0.000 1.049 419 K CA 1.437 57.744 56.287 0.033 0.000 0.933 419 K CB -0.392 32.103 32.500 -0.009 0.000 0.717 419 K HN 0.487 nan 8.250 nan 0.000 0.442 420 A N 0.752 123.596 122.820 0.041 0.000 1.898 420 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 420 A C 1.925 179.537 177.584 0.046 0.000 1.181 420 A CA 1.155 53.208 52.037 0.026 0.000 0.620 420 A CB -0.790 18.235 19.000 0.042 0.000 0.819 420 A HN 0.597 nan 8.150 nan 0.000 0.442 421 W N 0.714 121.972 121.300 -0.070 0.000 2.379 421 W HA -0.076 4.584 4.660 -0.000 0.000 0.307 421 W C 2.371 178.814 176.519 -0.126 0.000 1.200 421 W CA 2.146 59.436 57.345 -0.092 0.000 1.297 421 W CB -0.256 29.140 29.460 -0.106 0.000 1.140 421 W HN 0.316 nan 8.180 nan 0.000 0.507 422 A N 0.654 123.364 122.820 -0.184 0.000 1.972 422 A HA -0.024 4.295 4.320 -0.000 0.000 0.219 422 A C 2.204 179.618 177.584 -0.283 0.000 1.169 422 A CA 1.819 53.601 52.037 -0.426 0.000 0.635 422 A CB -1.677 17.281 19.000 -0.070 0.000 0.810 422 A HN 0.450 nan 8.150 nan 0.000 0.446 423 G N -0.474 108.227 108.800 -0.164 0.000 2.448 423 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 423 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 423 G C 1.597 176.427 174.900 -0.116 0.000 1.127 423 G CA 1.212 46.241 45.100 -0.118 0.000 0.766 423 G HN 0.594 nan 8.290 nan 0.000 0.552 424 K N -0.450 119.817 120.400 -0.221 0.000 2.078 424 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 424 K C 2.529 178.945 176.600 -0.306 0.000 1.043 424 K CA 0.251 56.408 56.287 -0.217 0.000 0.960 424 K CB 0.041 32.420 32.500 -0.202 0.000 0.761 424 K HN 0.029 nan 8.250 nan 0.000 0.448 425 R N -0.077 120.066 120.500 -0.595 0.000 2.189 425 R HA 0.161 4.501 4.340 -0.000 0.000 0.203 425 R C 1.754 177.718 176.300 -0.560 0.000 1.012 425 R CA 0.497 56.200 56.100 -0.660 0.000 1.015 425 R CB 0.023 29.651 30.300 -1.120 0.000 0.938 425 R HN 0.184 nan 8.270 nan 0.000 0.472 426 L N -1.630 119.262 121.223 -0.551 0.000 2.435 426 L HA 0.200 4.540 4.340 -0.000 0.000 0.195 426 L C 0.028 176.853 176.870 -0.075 0.000 1.072 426 L CA 0.476 55.121 54.840 -0.326 0.000 0.833 426 L CB -0.661 41.150 42.059 -0.414 0.000 1.081 426 L HN 0.200 nan 8.230 nan 0.000 0.485 427 W N 2.911 124.097 121.300 -0.190 0.000 2.607 427 W HA -0.047 4.613 4.660 -0.000 0.000 0.336 427 W C 0.357 176.832 176.519 -0.074 0.000 1.439 427 W CA 0.891 58.175 57.345 -0.101 0.000 1.346 427 W CB -0.008 29.396 29.460 -0.093 0.000 1.425 427 W HN 0.474 nan 8.180 nan 0.000 0.565 428 D N 3.066 123.233 120.400 -0.388 0.000 2.697 428 D HA -0.219 4.421 4.640 -0.000 0.000 0.238 428 D C -0.549 175.709 176.300 -0.070 0.000 1.152 428 D CA 1.073 54.923 54.000 -0.250 0.000 0.666 428 D CB -0.622 40.061 40.800 -0.195 0.000 1.037 428 D HN 0.386 nan 8.370 nan 0.000 0.423 429 Q N 0.327 120.094 119.800 -0.056 0.000 2.351 429 Q HA 0.368 4.708 4.340 -0.000 0.000 0.273 429 Q C -0.164 175.869 176.000 0.054 0.000 1.077 429 Q CA -0.721 55.080 55.803 -0.003 0.000 0.843 429 Q CB 1.276 29.985 28.738 -0.049 0.000 1.367 429 Q HN 0.216 nan 8.270 nan 0.000 0.449 430 D N 1.449 121.933 120.400 0.141 0.000 2.400 430 D HA 0.237 4.876 4.640 -0.000 0.000 0.238 430 D C 0.197 176.709 176.300 0.353 0.000 1.157 430 D CA 0.325 54.489 54.000 0.273 0.000 0.889 430 D CB 0.559 41.569 40.800 0.350 0.000 1.199 430 D HN 0.387 nan 8.370 nan 0.000 0.436 431 I N -2.395 118.406 120.570 0.384 0.000 3.002 431 I HA 0.782 4.952 4.170 -0.000 0.000 0.310 431 I C -0.935 175.455 176.117 0.455 0.000 1.087 431 I CA -1.360 60.180 61.300 0.399 0.000 1.017 431 I CB 2.220 40.325 38.000 0.176 0.000 1.226 431 I HN 0.238 nan 8.210 nan 0.000 0.443 432 A N 4.371 127.438 122.820 0.412 0.000 2.343 432 A HA 0.882 5.202 4.320 -0.000 0.000 0.316 432 A C -0.814 176.904 177.584 0.223 0.000 1.104 432 A CA -0.578 51.592 52.037 0.221 0.000 0.768 432 A CB 0.904 19.960 19.000 0.093 0.000 1.213 432 A HN 0.682 nan 8.150 nan 0.000 0.456 433 I N 1.183 121.868 120.570 0.191 0.000 2.608 433 I HA 0.744 4.914 4.170 -0.000 0.000 0.295 433 I C 0.159 176.351 176.117 0.124 0.000 1.049 433 I CA -0.616 60.779 61.300 0.158 0.000 1.063 433 I CB 2.368 40.457 38.000 0.148 0.000 1.248 433 I HN 0.758 nan 8.210 nan 0.000 0.424 434 A N 3.399 126.286 122.820 0.111 0.000 2.549 434 A HA 0.971 5.291 4.320 -0.000 0.000 0.297 434 A C -0.724 176.905 177.584 0.075 0.000 1.061 434 A CA -0.470 51.626 52.037 0.097 0.000 0.690 434 A CB 1.990 21.074 19.000 0.140 0.000 1.287 434 A HN 0.956 nan 8.150 nan 0.000 0.402 435 G N -0.599 108.228 108.800 0.045 0.000 2.632 435 G HA2 0.689 4.649 3.960 -0.000 0.000 0.292 435 G HA3 0.689 4.649 3.960 -0.000 0.000 0.292 435 G C -1.061 173.858 174.900 0.032 0.000 1.465 435 G CA 0.363 45.497 45.100 0.057 0.000 0.824 435 G HN 1.293 nan 8.290 nan 0.000 0.509 436 T N -1.254 113.356 114.554 0.093 0.000 2.864 436 T HA 0.864 5.214 4.350 -0.000 0.000 0.299 436 T C 0.597 175.400 174.700 0.171 0.000 1.166 436 T CA 1.351 63.494 62.100 0.072 0.000 1.007 436 T CB 1.256 70.130 68.868 0.010 0.000 1.219 436 T HN 2.696 nan 8.240 nan 0.000 0.506 437 G N 2.018 110.880 108.800 0.102 0.000 2.484 437 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.225 437 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.225 437 G C -0.437 174.488 174.900 0.042 0.000 1.250 437 G CA -0.128 45.042 45.100 0.115 0.000 0.926 437 G HN 0.882 nan 8.290 nan 0.000 0.581 438 Q N 1.049 120.852 119.800 0.006 0.000 3.107 438 Q HA 0.314 4.654 4.340 -0.000 0.000 0.268 438 Q C 1.402 177.388 176.000 -0.024 0.000 1.382 438 Q CA 0.432 56.223 55.803 -0.020 0.000 0.927 438 Q CB -0.556 28.157 28.738 -0.042 0.000 1.755 438 Q HN 0.618 nan 8.270 nan 0.000 0.545 439 I N -2.613 117.953 120.570 -0.007 0.000 3.858 439 I HA 0.112 4.282 4.170 -0.000 0.000 0.325 439 I C 1.406 177.516 176.117 -0.012 0.000 1.403 439 I CA -0.090 61.205 61.300 -0.008 0.000 1.169 439 I CB -0.018 37.987 38.000 0.008 0.000 1.077 439 I HN 0.307 nan 8.210 nan 0.000 0.403 440 E N 2.451 122.641 120.200 -0.016 0.000 2.153 440 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 440 E C 2.158 178.743 176.600 -0.024 0.000 0.988 440 E CA 1.376 57.765 56.400 -0.017 0.000 0.811 440 E CB -0.055 29.634 29.700 -0.018 0.000 0.746 440 E HN 0.680 nan 8.360 nan 0.000 0.466 441 G N 0.784 109.567 108.800 -0.029 0.000 2.744 441 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.211 441 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.211 441 G C 0.470 175.346 174.900 -0.040 0.000 1.143 441 G CA -0.265 44.812 45.100 -0.038 0.000 0.788 441 G HN 0.191 nan 8.290 nan 0.000 0.534 442 L N 2.051 123.257 121.223 -0.029 0.000 2.342 442 L HA 0.413 4.753 4.340 -0.000 0.000 0.285 442 L C 0.035 176.889 176.870 -0.026 0.000 1.095 442 L CA -0.948 53.876 54.840 -0.026 0.000 0.843 442 L CB 0.192 42.245 42.059 -0.011 0.000 1.201 442 L HN -0.164 nan 8.230 nan 0.000 0.445 443 L N 4.228 125.426 121.223 -0.042 0.000 2.483 443 L HA 0.024 4.364 4.340 -0.000 0.000 0.277 443 L C 0.822 177.680 176.870 -0.020 0.000 1.248 443 L CA 0.340 55.155 54.840 -0.041 0.000 0.825 443 L CB -0.227 41.791 42.059 -0.067 0.000 1.096 443 L HN 0.763 nan 8.230 nan 0.000 0.512 444 D N 0.140 120.536 120.400 -0.007 0.000 2.370 444 D HA -0.206 4.434 4.640 -0.000 0.000 0.235 444 D C 1.049 177.377 176.300 0.048 0.000 1.228 444 D CA -0.097 53.922 54.000 0.032 0.000 0.884 444 D CB 0.356 41.174 40.800 0.030 0.000 1.201 444 D HN 0.550 nan 8.370 nan 0.000 0.456 445 Y N 0.669 120.959 120.300 -0.017 0.000 2.053 445 Y HA -0.295 4.255 4.550 -0.000 0.000 0.277 445 Y C 2.598 178.488 175.900 -0.016 0.000 1.159 445 Y CA 2.028 60.122 58.100 -0.010 0.000 1.125 445 Y CB -0.113 38.343 38.460 -0.007 0.000 0.969 445 Y HN 0.210 nan 8.280 nan 0.000 0.492 446 M N -0.073 119.612 119.600 0.141 0.000 2.195 446 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 446 M C 2.118 178.379 176.300 -0.064 0.000 1.066 446 M CA 1.540 56.868 55.300 0.045 0.000 1.089 446 M CB -1.067 31.578 32.600 0.076 0.000 1.377 446 M HN 0.266 nan 8.290 nan 0.000 0.411 447 R N 0.266 120.724 120.500 -0.070 0.000 2.066 447 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 447 R C 2.075 178.293 176.300 -0.137 0.000 1.131 447 R CA 1.122 57.165 56.100 -0.096 0.000 0.955 447 R CB -0.661 29.587 30.300 -0.087 0.000 0.851 447 R HN 0.326 nan 8.270 nan 0.000 0.432 448 I N 0.642 121.109 120.570 -0.172 0.000 2.179 448 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 448 I C 2.418 178.384 176.117 -0.251 0.000 1.088 448 I CA 1.098 62.274 61.300 -0.207 0.000 1.357 448 I CB -1.153 36.711 38.000 -0.226 0.000 1.051 448 I HN 0.049 nan 8.210 nan 0.000 0.409 449 R N 1.654 121.948 120.500 -0.344 0.000 2.091 449 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 449 R C 2.300 178.487 176.300 -0.188 0.000 1.136 449 R CA 1.992 57.908 56.100 -0.306 0.000 0.959 449 R CB -0.886 29.212 30.300 -0.337 0.000 0.856 449 R HN 0.234 nan 8.270 nan 0.000 0.437 450 S N 0.639 116.245 115.700 -0.156 0.000 2.419 450 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 450 S C 0.899 175.396 174.600 -0.171 0.000 1.016 450 S CA 1.295 59.412 58.200 -0.138 0.000 0.974 450 S CB -0.264 62.874 63.200 -0.104 0.000 0.786 450 S HN 0.398 nan 8.310 nan 0.000 0.492 451 D N 0.902 121.198 120.400 -0.173 0.000 2.378 451 D HA 0.053 4.693 4.640 -0.000 0.000 0.227 451 D C 1.019 177.166 176.300 -0.255 0.000 1.012 451 D CA 0.361 54.246 54.000 -0.191 0.000 0.905 451 D CB -0.021 40.676 40.800 -0.171 0.000 0.895 451 D HN 0.294 nan 8.370 nan 0.000 0.532 452 M N -0.063 119.378 119.600 -0.264 0.000 2.659 452 M HA 0.026 4.505 4.480 -0.000 0.000 0.243 452 M C 0.657 176.602 176.300 -0.592 0.000 1.111 452 M CA 0.318 55.442 55.300 -0.293 0.000 1.070 452 M CB -0.678 31.801 32.600 -0.201 0.000 1.525 452 M HN -0.098 nan 8.290 nan 0.000 0.517 453 S N -0.974 114.312 115.700 -0.690 0.000 2.656 453 S HA 0.798 5.268 4.470 -0.000 0.000 0.273 453 S C -0.641 173.577 174.600 -0.638 0.000 1.168 453 S CA -1.071 56.389 58.200 -1.234 0.000 0.817 453 S CB 2.389 64.869 63.200 -1.201 0.000 1.146 453 S HN 0.181 nan 8.310 nan 0.000 0.475 454 M N 1.483 120.808 119.600 -0.459 0.000 2.602 454 M HA 0.502 4.982 4.480 -0.000 0.000 0.312 454 M C -0.468 175.902 176.300 0.117 0.000 1.181 454 M CA -0.879 54.410 55.300 -0.019 0.000 0.910 454 M CB 1.903 34.611 32.600 0.180 0.000 1.723 454 M HN 0.521 nan 8.290 nan 0.000 0.459 455 M N 2.381 122.035 119.600 0.090 0.000 2.228 455 M HA 0.481 4.961 4.480 -0.000 0.000 0.326 455 M C -0.036 176.357 176.300 0.154 0.000 1.122 455 M CA 0.360 55.723 55.300 0.105 0.000 1.161 455 M CB 0.429 33.074 32.600 0.075 0.000 1.437 455 M HN 0.708 nan 8.290 nan 0.000 0.465 456 R N 0.353 120.946 120.500 0.155 0.000 2.741 456 R HA 0.335 4.675 4.340 -0.000 0.000 0.276 456 R C -1.490 174.934 176.300 0.207 0.000 1.028 456 R CA -0.850 55.362 56.100 0.186 0.000 0.865 456 R CB 1.224 31.631 30.300 0.178 0.000 1.268 456 R HN 0.794 nan 8.270 nan 0.000 0.475 457 W N 0.000 121.320 121.300 0.034 0.000 2.388 457 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 457 W CA 0.000 57.359 57.345 0.023 0.000 1.226 457 W CB 0.000 29.470 29.460 0.016 0.000 1.126 457 W HN 0.000 nan 8.180 nan 0.000 0.535