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 3hdq_1_D DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 29 G C 0.000 174.680 174.900 -0.367 0.000 0.946 29 G CA 0.000 44.995 45.100 -0.175 0.000 0.502 30 F N 1.747 121.768 119.950 0.120 0.000 2.532 30 F HA 0.499 5.026 4.527 0.000 0.000 0.321 30 F C 0.659 176.544 175.800 0.142 0.000 1.089 30 F CA -0.825 57.257 58.000 0.137 0.000 0.926 30 F CB 2.307 41.399 39.000 0.152 0.000 1.168 30 F HN 0.103 nan 8.300 nan 0.000 0.459 31 D N 0.990 121.589 120.400 0.331 0.000 2.149 31 D HA -0.122 4.518 4.640 0.000 0.000 0.201 31 D C -0.448 175.893 176.300 0.068 0.000 0.972 31 D CA 1.820 55.934 54.000 0.189 0.000 0.835 31 D CB 0.158 41.113 40.800 0.259 0.000 0.966 31 D HN 0.339 nan 8.370 nan 0.000 0.476 32 Y N -0.363 120.104 120.300 0.279 0.000 2.421 32 Y HA 0.322 4.872 4.550 0.000 0.000 0.339 32 Y C -0.604 175.331 175.900 0.058 0.000 0.996 32 Y CA -1.171 57.055 58.100 0.209 0.000 1.046 32 Y CB 2.002 40.558 38.460 0.160 0.000 1.226 32 Y HN -0.259 nan 8.280 nan 0.000 0.445 33 L N 5.476 126.721 121.223 0.038 0.000 2.255 33 L HA 0.588 4.928 4.340 0.000 0.000 0.289 33 L C -1.180 175.560 176.870 -0.217 0.000 1.046 33 L CA -0.228 54.437 54.840 -0.290 0.000 0.816 33 L CB 0.023 41.563 42.059 -0.865 0.000 1.197 33 L HN 0.505 nan 8.230 nan 0.000 0.427 34 I N 6.066 126.529 120.570 -0.179 0.000 2.339 34 I HA 0.314 4.484 4.170 0.000 0.000 0.290 34 I C -0.574 175.406 176.117 -0.229 0.000 0.994 34 I CA -0.889 60.311 61.300 -0.167 0.000 1.191 34 I CB 1.687 39.617 38.000 -0.117 0.000 1.343 34 I HN 0.263 nan 8.210 nan 0.000 0.458 35 V N 5.599 125.344 119.914 -0.280 0.000 2.364 35 V HA 0.733 4.853 4.120 0.000 0.000 0.272 35 V C 0.519 176.408 176.094 -0.341 0.000 1.036 35 V CA -0.348 61.763 62.300 -0.316 0.000 0.880 35 V CB 0.612 32.180 31.823 -0.426 0.000 0.991 35 V HN 1.079 nan 8.190 nan 0.000 0.460 36 G N 4.095 112.730 108.800 -0.274 0.000 3.055 36 G HA2 0.298 4.258 3.960 0.000 0.000 0.686 36 G HA3 0.298 4.258 3.960 0.000 0.000 0.686 36 G C -0.156 174.604 174.900 -0.234 0.000 1.087 36 G CA -0.224 44.713 45.100 -0.271 0.000 0.779 36 G HN 1.588 nan 8.290 nan 0.000 0.599 37 A N 1.621 124.290 122.820 -0.251 0.000 2.701 37 A HA 0.795 5.115 4.320 0.000 0.000 0.297 37 A C 1.341 178.705 177.584 -0.367 0.000 1.197 37 A CA 1.133 53.015 52.037 -0.259 0.000 0.963 37 A CB -0.146 18.701 19.000 -0.256 0.000 1.175 37 A HN 2.175 nan 8.150 nan 0.000 0.531 38 G N -1.228 107.402 108.800 -0.284 0.000 2.508 38 G HA2 0.398 4.358 3.960 0.000 0.000 0.278 38 G HA3 0.398 4.358 3.960 0.000 0.000 0.278 38 G C 0.614 175.503 174.900 -0.019 0.000 1.389 38 G CA -0.459 44.478 45.100 -0.272 0.000 1.050 38 G HN 0.164 nan 8.290 nan 0.000 0.522 39 F N 0.711 120.794 119.950 0.221 0.000 2.091 39 F HA -0.164 4.363 4.527 0.000 0.000 0.299 39 F C 3.103 178.986 175.800 0.138 0.000 1.103 39 F CA 2.101 60.278 58.000 0.295 0.000 1.228 39 F CB -0.314 38.835 39.000 0.249 0.000 0.984 39 F HN 0.349 nan 8.300 nan 0.000 0.477 40 A N 0.184 123.160 122.820 0.262 0.000 1.865 40 A HA -0.138 4.182 4.320 0.000 0.000 0.217 40 A C 2.523 180.139 177.584 0.052 0.000 1.191 40 A CA 2.047 54.164 52.037 0.133 0.000 0.623 40 A CB -1.649 17.396 19.000 0.075 0.000 0.826 40 A HN 0.428 nan 8.150 nan 0.000 0.444 41 G N -1.259 107.536 108.800 -0.008 0.000 2.404 41 G HA2 -0.073 3.887 3.960 0.000 0.000 0.215 41 G HA3 -0.073 3.887 3.960 0.000 0.000 0.215 41 G C 1.833 176.706 174.900 -0.045 0.000 1.174 41 G CA 1.257 46.316 45.100 -0.068 0.000 0.780 41 G HN 0.491 nan 8.290 nan 0.000 0.537 42 S N -0.053 115.646 115.700 -0.001 0.000 2.383 42 S HA -0.068 4.402 4.470 0.000 0.000 0.227 42 S C 2.521 177.110 174.600 -0.018 0.000 1.026 42 S CA 0.987 59.190 58.200 0.005 0.000 0.981 42 S CB -0.152 63.132 63.200 0.140 0.000 0.818 42 S HN 0.170 nan 8.310 nan 0.000 0.472 43 V N 2.045 121.988 119.914 0.048 0.000 2.295 43 V HA -0.155 3.965 4.120 0.000 0.000 0.246 43 V C 2.187 178.245 176.094 -0.060 0.000 1.049 43 V CA 1.513 63.841 62.300 0.047 0.000 1.024 43 V CB -0.680 31.199 31.823 0.093 0.000 0.648 43 V HN 0.379 nan 8.190 nan 0.000 0.447 44 L N 0.031 121.218 121.223 -0.060 0.000 2.017 44 L HA -0.170 4.171 4.340 0.000 0.000 0.208 44 L C 2.725 179.503 176.870 -0.153 0.000 1.073 44 L CA 1.688 56.465 54.840 -0.106 0.000 0.745 44 L CB -0.765 41.262 42.059 -0.054 0.000 0.894 44 L HN 0.345 nan 8.230 nan 0.000 0.432 45 A N -0.634 122.117 122.820 -0.114 0.000 1.917 45 A HA -0.273 4.048 4.320 0.000 0.000 0.219 45 A C 2.336 179.852 177.584 -0.113 0.000 1.182 45 A CA 2.018 53.991 52.037 -0.107 0.000 0.633 45 A CB -0.544 18.402 19.000 -0.089 0.000 0.819 45 A HN 0.446 nan 8.150 nan 0.000 0.448 46 E N -0.176 119.949 120.200 -0.126 0.000 2.047 46 E HA -0.189 4.161 4.350 0.000 0.000 0.191 46 E C 2.260 178.780 176.600 -0.133 0.000 0.987 46 E CA 0.855 57.187 56.400 -0.114 0.000 0.799 46 E CB -0.247 29.359 29.700 -0.157 0.000 0.752 46 E HN 0.420 nan 8.360 nan 0.000 0.449 47 R N 0.335 120.667 120.500 -0.280 0.000 2.070 47 R HA -0.119 4.221 4.340 0.000 0.000 0.232 47 R C 2.472 178.444 176.300 -0.547 0.000 1.138 47 R CA 0.650 56.347 56.100 -0.671 0.000 0.936 47 R CB -1.125 28.323 30.300 -1.421 0.000 0.839 47 R HN 0.243 nan 8.270 nan 0.000 0.429 48 L N 0.724 121.740 121.223 -0.346 0.000 2.013 48 L HA -0.155 4.185 4.340 0.000 0.000 0.212 48 L C 2.440 179.317 176.870 0.010 0.000 1.073 48 L CA 2.150 56.950 54.840 -0.066 0.000 0.753 48 L CB -1.582 40.355 42.059 -0.204 0.000 0.890 48 L HN 0.196 nan 8.230 nan 0.000 0.432 49 A N -0.995 121.814 122.820 -0.020 0.000 2.015 49 A HA -0.140 4.180 4.320 0.000 0.000 0.219 49 A C 2.431 180.039 177.584 0.040 0.000 1.163 49 A CA 1.559 53.617 52.037 0.033 0.000 0.646 49 A CB -0.535 18.480 19.000 0.024 0.000 0.806 49 A HN 0.573 nan 8.150 nan 0.000 0.448 50 S N 0.082 115.790 115.700 0.014 0.000 2.461 50 S HA -0.093 4.378 4.470 0.000 0.000 0.228 50 S C 1.902 176.546 174.600 0.073 0.000 1.005 50 S CA 1.348 59.570 58.200 0.037 0.000 0.942 50 S CB -0.560 62.654 63.200 0.023 0.000 0.776 50 S HN 0.831 nan 8.310 nan 0.000 0.514 51 S N 0.271 116.034 115.700 0.105 0.000 2.501 51 S HA 0.457 4.927 4.470 0.000 0.000 0.220 51 S C 1.527 176.202 174.600 0.126 0.000 0.997 51 S CA 0.535 58.829 58.200 0.157 0.000 0.919 51 S CB -0.311 63.051 63.200 0.272 0.000 0.778 51 S HN 1.523 nan 8.310 nan 0.000 0.523 52 G N 0.536 109.403 108.800 0.112 0.000 2.148 52 G HA2 -0.107 3.853 3.960 0.000 0.000 0.157 52 G HA3 -0.107 3.853 3.960 0.000 0.000 0.157 52 G C -0.355 174.621 174.900 0.127 0.000 1.012 52 G CA -0.489 44.673 45.100 0.103 0.000 0.677 52 G HN 0.423 nan 8.290 nan 0.000 0.506 53 Q N 0.185 120.080 119.800 0.158 0.000 2.259 53 Q HA 0.457 4.798 4.340 0.000 0.000 0.246 53 Q C 0.518 176.645 176.000 0.212 0.000 0.920 53 Q CA -0.233 55.701 55.803 0.219 0.000 0.895 53 Q CB 1.021 29.946 28.738 0.312 0.000 1.220 53 Q HN 0.477 nan 8.270 nan 0.000 0.439 54 R N 0.696 121.342 120.500 0.244 0.000 2.216 54 R HA 0.378 4.718 4.340 0.000 0.000 0.332 54 R C -0.526 176.049 176.300 0.458 0.000 1.056 54 R CA -0.244 56.029 56.100 0.287 0.000 0.901 54 R CB 0.594 31.002 30.300 0.180 0.000 1.039 54 R HN 0.219 nan 8.270 nan 0.000 0.456 55 V N 4.963 125.103 119.914 0.376 0.000 2.555 55 V HA 0.337 4.457 4.120 0.000 0.000 0.302 55 V C -0.759 175.331 176.094 -0.006 0.000 1.038 55 V CA -0.953 61.481 62.300 0.223 0.000 0.887 55 V CB 1.823 33.703 31.823 0.094 0.000 0.991 55 V HN 0.480 nan 8.190 nan 0.000 0.434 56 L N 6.389 127.373 121.223 -0.399 0.000 2.319 56 L HA 0.668 5.008 4.340 0.000 0.000 0.281 56 L C -0.725 175.928 176.870 -0.361 0.000 1.005 56 L CA 0.071 54.493 54.840 -0.696 0.000 0.828 56 L CB 1.130 42.338 42.059 -1.419 0.000 1.227 56 L HN 0.673 nan 8.230 nan 0.000 0.415 57 I N 5.317 125.740 120.570 -0.245 0.000 2.377 57 I HA 0.610 4.780 4.170 0.000 0.000 0.293 57 I C -1.280 174.722 176.117 -0.192 0.000 0.987 57 I CA -0.585 60.597 61.300 -0.196 0.000 1.185 57 I CB 1.695 39.605 38.000 -0.149 0.000 1.341 57 I HN 0.517 nan 8.210 nan 0.000 0.455 58 V N 7.381 127.180 119.914 -0.191 0.000 2.735 58 V HA 0.603 4.723 4.120 0.000 0.000 0.310 58 V C -1.260 174.735 176.094 -0.165 0.000 1.061 58 V CA -0.275 61.926 62.300 -0.165 0.000 0.913 58 V CB 2.047 33.783 31.823 -0.146 0.000 1.005 58 V HN 0.798 nan 8.190 nan 0.000 0.428 59 D N 3.738 124.042 120.400 -0.160 0.000 2.947 59 D HA 0.305 4.945 4.640 0.000 0.000 0.224 59 D C 0.580 176.780 176.300 -0.167 0.000 1.230 59 D CA -0.518 53.371 54.000 -0.185 0.000 0.871 59 D CB 2.247 42.899 40.800 -0.246 0.000 1.671 59 D HN 0.662 nan 8.370 nan 0.000 0.507 60 R N 2.398 122.807 120.500 -0.151 0.000 2.236 60 R HA 0.105 4.445 4.340 0.000 0.000 0.208 60 R C 0.338 176.535 176.300 -0.171 0.000 1.036 60 R CA 0.101 56.125 56.100 -0.126 0.000 1.001 60 R CB 0.263 30.509 30.300 -0.090 0.000 0.896 60 R HN 0.168 nan 8.270 nan 0.000 0.464 61 R N 1.749 122.092 120.500 -0.262 0.000 2.615 61 R HA 0.129 4.470 4.340 0.000 0.000 0.270 61 R C -1.751 174.323 176.300 -0.377 0.000 1.081 61 R CA -1.662 54.211 56.100 -0.379 0.000 1.154 61 R CB 0.519 30.426 30.300 -0.655 0.000 1.063 61 R HN 0.053 nan 8.270 nan 0.000 0.519 62 P HA 0.012 nan 4.420 nan 0.000 0.255 62 P C -1.164 176.011 177.300 -0.210 0.000 1.301 62 P CA 0.606 63.579 63.100 -0.211 0.000 0.817 62 P CB 0.066 31.701 31.700 -0.108 0.000 1.259 63 H N -1.502 117.396 119.070 -0.286 0.000 3.008 63 H HA 0.560 5.116 4.556 0.000 0.000 0.354 63 H C 0.152 175.270 175.328 -0.349 0.000 1.252 63 H CA -1.417 54.409 56.048 -0.370 0.000 1.117 63 H CB 0.233 29.513 29.762 -0.804 0.000 1.857 63 H HN -0.173 nan 8.280 nan 0.000 0.547 64 I N -1.658 118.874 120.570 -0.063 0.000 3.244 64 I HA 0.659 4.829 4.170 0.000 0.000 0.314 64 I C 1.131 177.120 176.117 -0.214 0.000 1.043 64 I CA -0.224 60.971 61.300 -0.175 0.000 1.099 64 I CB 0.704 38.603 38.000 -0.169 0.000 1.449 64 I HN 1.084 nan 8.210 nan 0.000 0.625 65 G N 0.424 108.781 108.800 -0.737 0.000 2.234 65 G HA2 -0.025 3.935 3.960 0.000 0.000 0.235 65 G HA3 -0.025 3.935 3.960 0.000 0.000 0.235 65 G C 0.935 175.388 174.900 -0.745 0.000 0.997 65 G CA 0.212 44.522 45.100 -1.317 0.000 0.623 65 G HN 2.155 nan 8.290 nan 0.000 0.514 66 G N 0.683 109.244 108.800 -0.398 0.000 2.582 66 G HA2 -0.319 3.642 3.960 0.000 0.000 0.288 66 G HA3 -0.319 3.642 3.960 0.000 0.000 0.288 66 G C 0.781 175.528 174.900 -0.256 0.000 1.247 66 G CA 0.861 45.786 45.100 -0.291 0.000 0.972 66 G HN 1.128 nan 8.290 nan 0.000 0.557 67 N N 0.825 119.373 118.700 -0.254 0.000 2.348 67 N HA 0.041 4.781 4.740 0.000 0.000 0.185 67 N C 2.252 177.523 175.510 -0.398 0.000 1.019 67 N CA 1.797 54.689 53.050 -0.264 0.000 0.880 67 N CB -0.487 38.011 38.487 0.017 0.000 0.965 67 N HN 1.002 nan 8.380 nan 0.000 0.437 68 A N -0.551 122.045 122.820 -0.373 0.000 2.238 68 A HA -0.018 4.303 4.320 0.000 0.000 0.208 68 A C 0.356 177.693 177.584 -0.412 0.000 1.177 68 A CA -0.399 51.275 52.037 -0.606 0.000 0.804 68 A CB -0.624 18.259 19.000 -0.195 0.000 0.823 68 A HN 0.321 nan 8.150 nan 0.000 0.482 69 Y N 2.616 122.720 120.300 -0.326 0.000 2.717 69 Y HA 0.273 4.824 4.550 0.000 0.000 0.330 69 Y C -0.024 175.717 175.900 -0.265 0.000 1.217 69 Y CA -0.365 57.570 58.100 -0.274 0.000 1.506 69 Y CB 0.268 38.511 38.460 -0.362 0.000 1.268 69 Y HN 0.527 nan 8.280 nan 0.000 0.561 70 D N 4.453 124.362 120.400 -0.819 0.000 2.497 70 D HA 0.642 5.282 4.640 0.000 0.000 0.243 70 D C -0.985 174.705 176.300 -1.016 0.000 1.039 70 D CA -0.513 53.045 54.000 -0.736 0.000 1.052 70 D CB 1.260 41.903 40.800 -0.261 0.000 1.344 70 D HN 0.762 nan 8.370 nan 0.000 0.553 71 C N -2.804 116.082 119.300 -0.690 0.000 3.253 71 C HA 0.585 5.045 4.460 0.000 0.000 0.342 71 C C -1.596 173.135 174.990 -0.432 0.000 1.306 71 C CA -1.228 57.491 59.018 -0.498 0.000 1.207 71 C CB -0.393 27.098 27.740 -0.414 0.000 1.479 71 C HN 0.623 nan 8.230 nan 0.000 0.469 72 Y N 2.324 122.501 120.300 -0.205 0.000 2.316 72 Y HA 0.465 5.015 4.550 0.000 0.000 0.331 72 Y C 1.104 176.910 175.900 -0.157 0.000 1.083 72 Y CA 0.768 58.769 58.100 -0.165 0.000 1.206 72 Y CB 0.849 39.248 38.460 -0.103 0.000 1.195 72 Y HN 0.874 nan 8.280 nan 0.000 0.497 73 D N 0.042 120.408 120.400 -0.057 0.000 2.440 73 D HA 0.011 4.651 4.640 0.000 0.000 0.269 73 D C 0.319 176.610 176.300 -0.016 0.000 1.249 73 D CA -0.306 53.644 54.000 -0.084 0.000 1.055 73 D CB 0.443 41.156 40.800 -0.144 0.000 1.104 73 D HN 0.406 nan 8.370 nan 0.000 0.561 74 D N -0.984 119.401 120.400 -0.025 0.000 2.263 74 D HA -0.055 4.586 4.640 0.000 0.000 0.208 74 D C 1.592 177.907 176.300 0.026 0.000 0.971 74 D CA 1.576 55.576 54.000 0.001 0.000 0.867 74 D CB -0.344 40.453 40.800 -0.005 0.000 0.929 74 D HN 0.519 nan 8.370 nan 0.000 0.492 75 A N -0.651 122.181 122.820 0.020 0.000 2.178 75 A HA 0.439 4.759 4.320 0.000 0.000 0.211 75 A C 1.752 179.427 177.584 0.152 0.000 1.157 75 A CA 1.008 53.082 52.037 0.061 0.000 0.780 75 A CB 0.080 19.077 19.000 -0.005 0.000 0.828 75 A HN 0.229 nan 8.150 nan 0.000 0.476 76 G N -1.492 107.380 108.800 0.119 0.000 2.131 76 G HA2 -0.154 3.806 3.960 0.000 0.000 0.223 76 G HA3 -0.154 3.806 3.960 0.000 0.000 0.223 76 G C 0.021 175.061 174.900 0.235 0.000 0.990 76 G CA 0.026 45.258 45.100 0.220 0.000 0.671 76 G HN 0.766 nan 8.290 nan 0.000 0.521 77 V N 1.289 121.182 119.914 -0.035 0.000 2.465 77 V HA 0.616 4.736 4.120 0.000 0.000 0.279 77 V C 0.757 176.704 176.094 -0.245 0.000 1.045 77 V CA -0.795 61.391 62.300 -0.190 0.000 0.938 77 V CB 1.648 33.276 31.823 -0.326 0.000 0.986 77 V HN 0.452 nan 8.190 nan 0.000 0.467 78 L N 7.773 128.748 121.223 -0.413 0.000 2.361 78 L HA 0.535 4.876 4.340 0.000 0.000 0.278 78 L C -0.236 176.263 176.870 -0.617 0.000 1.113 78 L CA 0.696 55.073 54.840 -0.772 0.000 0.849 78 L CB -0.003 41.568 42.059 -0.814 0.000 1.155 78 L HN 0.669 nan 8.230 nan 0.000 0.452 79 I N 0.698 120.816 120.570 -0.752 0.000 3.145 79 I HA 0.524 4.695 4.170 0.000 0.000 0.313 79 I C -1.112 174.425 176.117 -0.966 0.000 1.122 79 I CA -0.897 59.623 61.300 -1.301 0.000 0.987 79 I CB 2.208 39.570 38.000 -1.063 0.000 1.236 79 I HN 0.565 nan 8.210 nan 0.000 0.453 80 H N 1.954 120.206 119.070 -1.363 0.000 2.638 80 H HA 0.315 4.871 4.556 0.000 0.000 0.303 80 H C -2.137 172.975 175.328 -0.360 0.000 1.034 80 H CA -1.948 53.789 56.048 -0.518 0.000 1.225 80 H CB 1.251 30.997 29.762 -0.026 0.000 1.394 80 H HN 0.434 nan 8.280 nan 0.000 0.477 81 P HA -0.150 nan 4.420 nan 0.000 0.222 81 P C -0.111 176.725 177.300 -0.775 0.000 1.147 81 P CA 1.228 64.008 63.100 -0.533 0.000 0.790 81 P CB 0.121 31.401 31.700 -0.700 0.000 0.780 82 Y N -0.598 119.478 120.300 -0.373 0.000 2.756 82 Y HA 0.529 5.080 4.550 0.000 0.000 0.300 82 Y C 1.233 176.803 175.900 -0.551 0.000 1.113 82 Y CA -0.254 57.475 58.100 -0.619 0.000 1.291 82 Y CB -0.041 38.318 38.460 -0.168 0.000 1.175 82 Y HN -0.092 nan 8.280 nan 0.000 0.534 83 G N 1.375 109.906 108.800 -0.450 0.000 2.675 83 G HA2 -0.148 3.812 3.960 0.000 0.000 0.686 83 G HA3 -0.148 3.812 3.960 0.000 0.000 0.686 83 G C -3.115 172.090 174.900 0.509 0.000 1.215 83 G CA -1.573 43.618 45.100 0.153 0.000 0.777 83 G HN -0.032 nan 8.290 nan 0.000 0.638 84 P HA 0.165 nan 4.420 nan 0.000 0.262 84 P C -0.577 177.010 177.300 0.479 0.000 1.199 84 P CA 0.557 63.977 63.100 0.533 0.000 0.763 84 P CB 0.216 32.000 31.700 0.140 0.000 0.790 85 H N 3.132 122.535 119.070 0.554 0.000 2.638 85 H HA 0.426 4.982 4.556 0.000 0.000 0.303 85 H C -0.085 175.497 175.328 0.423 0.000 1.034 85 H CA -0.423 55.784 56.048 0.264 0.000 1.225 85 H CB 0.218 29.918 29.762 -0.103 0.000 1.394 85 H HN 0.240 nan 8.280 nan 0.000 0.477 86 I N 3.722 124.547 120.570 0.424 0.000 2.312 86 I HA 0.114 4.284 4.170 0.000 0.000 0.290 86 I C -0.216 176.172 176.117 0.452 0.000 1.008 86 I CA -0.478 61.100 61.300 0.463 0.000 1.226 86 I CB 0.266 38.471 38.000 0.342 0.000 1.371 86 I HN 0.414 nan 8.210 nan 0.000 0.468 87 F N 7.398 127.611 119.950 0.439 0.000 2.443 87 F HA 0.457 4.985 4.527 0.000 0.000 0.353 87 F C 0.253 176.169 175.800 0.194 0.000 1.101 87 F CA 0.314 58.499 58.000 0.309 0.000 1.226 87 F CB 0.196 39.459 39.000 0.438 0.000 1.140 87 F HN 0.689 nan 8.300 nan 0.000 0.557 88 H N 1.203 119.749 119.070 -0.874 0.000 3.085 88 H HA 0.587 5.143 4.556 0.000 0.000 0.356 88 H C -1.395 173.510 175.328 -0.704 0.000 1.178 88 H CA -0.989 54.689 56.048 -0.617 0.000 1.214 88 H CB 1.750 31.054 29.762 -0.763 0.000 1.881 88 H HN 0.593 nan 8.280 nan 0.000 0.538 89 T N 1.355 115.738 114.554 -0.284 0.000 2.957 89 T HA 0.216 4.566 4.350 0.000 0.000 0.336 89 T C -0.507 174.235 174.700 0.071 0.000 1.462 89 T CA -0.773 61.212 62.100 -0.191 0.000 1.073 89 T CB 1.216 70.003 68.868 -0.135 0.000 1.319 89 T HN 0.753 nan 8.240 nan 0.000 0.485 90 N N 1.350 120.077 118.700 0.045 0.000 2.353 90 N HA 0.088 4.829 4.740 0.000 0.000 0.185 90 N C 0.387 176.007 175.510 0.184 0.000 1.098 90 N CA 0.171 53.284 53.050 0.104 0.000 0.872 90 N CB 0.596 39.100 38.487 0.027 0.000 0.970 90 N HN 0.491 nan 8.380 nan 0.000 0.467 91 S N 1.060 116.831 115.700 0.117 0.000 2.416 91 S HA 0.123 4.593 4.470 0.000 0.000 0.287 91 S C 1.252 175.844 174.600 -0.014 0.000 1.139 91 S CA -0.584 57.657 58.200 0.068 0.000 1.058 91 S CB 0.965 64.179 63.200 0.023 0.000 0.967 91 S HN 0.138 nan 8.310 nan 0.000 0.495 92 K N 3.862 124.263 120.400 0.003 0.000 2.152 92 K HA -0.178 4.142 4.320 0.000 0.000 0.206 92 K C 0.993 177.546 176.600 -0.079 0.000 1.048 92 K CA 2.038 58.212 56.287 -0.188 0.000 0.933 92 K CB -0.212 32.308 32.500 0.033 0.000 0.721 92 K HN 0.692 nan 8.250 nan 0.000 0.447 93 D N -0.100 120.303 120.400 0.004 0.000 2.084 93 D HA -0.146 4.494 4.640 0.000 0.000 0.194 93 D C 1.863 178.212 176.300 0.080 0.000 0.990 93 D CA 1.483 55.508 54.000 0.040 0.000 0.826 93 D CB 0.108 40.929 40.800 0.035 0.000 0.971 93 D HN -0.016 nan 8.370 nan 0.000 0.453 94 V N 0.243 120.207 119.914 0.084 0.000 2.332 94 V HA -0.239 3.881 4.120 0.000 0.000 0.248 94 V C 2.047 178.268 176.094 0.212 0.000 1.055 94 V CA 1.550 63.948 62.300 0.164 0.000 1.038 94 V CB -0.599 31.319 31.823 0.158 0.000 0.651 94 V HN 0.248 nan 8.190 nan 0.000 0.450 95 F N 0.871 120.785 119.950 -0.060 0.000 2.134 95 F HA -0.165 4.362 4.527 0.000 0.000 0.299 95 F C 2.437 178.196 175.800 -0.068 0.000 1.097 95 F CA 1.980 59.877 58.000 -0.173 0.000 1.264 95 F CB -0.038 38.582 39.000 -0.634 0.000 1.001 95 F HN 0.188 nan 8.300 nan 0.000 0.479 96 E N -1.198 118.997 120.200 -0.007 0.000 2.152 96 E HA -0.237 4.113 4.350 0.000 0.000 0.192 96 E C 1.816 178.406 176.600 -0.016 0.000 0.983 96 E CA 1.134 57.521 56.400 -0.022 0.000 0.818 96 E CB -0.387 29.334 29.700 0.034 0.000 0.758 96 E HN 0.612 nan 8.360 nan 0.000 0.467 97 Y N 1.245 121.518 120.300 -0.044 0.000 2.109 97 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 97 Y C 1.957 177.858 175.900 0.002 0.000 1.131 97 Y CA 1.145 59.240 58.100 -0.009 0.000 1.121 97 Y CB -0.292 38.206 38.460 0.063 0.000 0.987 97 Y HN -0.045 nan 8.280 nan 0.000 0.495 98 L N 0.222 121.434 121.223 -0.017 0.000 2.127 98 L HA -0.207 4.133 4.340 0.000 0.000 0.211 98 L C 2.502 179.251 176.870 -0.202 0.000 1.089 98 L CA 1.845 56.648 54.840 -0.062 0.000 0.757 98 L CB -1.535 40.567 42.059 0.072 0.000 0.899 98 L HN 0.240 nan 8.230 nan 0.000 0.434 99 S N -0.829 114.767 115.700 -0.174 0.000 2.440 99 S HA -0.177 4.293 4.470 0.000 0.000 0.238 99 S C 1.923 176.291 174.600 -0.387 0.000 1.010 99 S CA 0.821 58.909 58.200 -0.187 0.000 0.972 99 S CB -0.256 62.904 63.200 -0.067 0.000 0.774 99 S HN 0.449 nan 8.310 nan 0.000 0.501 100 R N -0.354 119.786 120.500 -0.601 0.000 2.235 100 R HA 0.040 4.381 4.340 0.000 0.000 0.213 100 R C 0.635 176.296 176.300 -1.065 0.000 1.059 100 R CA 0.933 56.494 56.100 -0.898 0.000 0.997 100 R CB -0.144 29.406 30.300 -1.250 0.000 0.884 100 R HN 0.457 nan 8.270 nan 0.000 0.462 101 F N -1.463 118.251 119.950 -0.394 0.000 2.706 101 F HA 0.265 4.793 4.527 0.000 0.000 0.313 101 F C 0.464 176.017 175.800 -0.411 0.000 1.096 101 F CA -0.317 57.458 58.000 -0.375 0.000 1.219 101 F CB 1.293 40.047 39.000 -0.409 0.000 1.051 101 F HN -0.231 nan 8.300 nan 0.000 0.568 102 T N -0.395 113.909 114.554 -0.417 0.000 2.893 102 T HA 0.256 4.606 4.350 0.000 0.000 0.337 102 T C -1.180 173.076 174.700 -0.739 0.000 1.587 102 T CA -0.600 61.164 62.100 -0.560 0.000 1.066 102 T CB 1.386 69.797 68.868 -0.761 0.000 1.414 102 T HN 0.049 nan 8.240 nan 0.000 0.488 103 E N 0.851 120.686 120.200 -0.609 0.000 2.292 103 E HA 0.550 4.900 4.350 0.000 0.000 0.258 103 E C -1.045 175.122 176.600 -0.721 0.000 1.115 103 E CA -0.625 55.451 56.400 -0.539 0.000 0.929 103 E CB 1.050 30.595 29.700 -0.259 0.000 1.161 103 E HN 0.499 nan 8.360 nan 0.000 0.453 104 W N 0.477 121.718 121.300 -0.097 0.000 2.736 104 W HA 0.391 5.052 4.660 0.000 0.000 0.335 104 W C -0.201 176.317 176.519 -0.002 0.000 1.059 104 W CA -0.793 56.533 57.345 -0.032 0.000 1.226 104 W CB 1.225 30.749 29.460 0.106 0.000 1.416 104 W HN 0.124 nan 8.180 nan 0.000 0.505 105 R N 3.678 124.340 120.500 0.269 0.000 2.246 105 R HA 0.405 4.745 4.340 0.000 0.000 0.332 105 R C -2.573 173.904 176.300 0.294 0.000 0.974 105 R CA -1.734 54.486 56.100 0.200 0.000 0.837 105 R CB 1.000 31.359 30.300 0.098 0.000 1.145 105 R HN 0.115 nan 8.270 nan 0.000 0.467 106 P HA 0.030 nan 4.420 nan 0.000 0.268 106 P C -1.641 175.858 177.300 0.332 0.000 1.205 106 P CA 0.201 63.455 63.100 0.256 0.000 0.771 106 P CB 0.268 32.069 31.700 0.168 0.000 0.858 107 Y N 0.932 121.334 120.300 0.170 0.000 2.376 107 Y HA 0.263 4.813 4.550 0.000 0.000 0.321 107 Y C -1.620 174.402 175.900 0.204 0.000 1.189 107 Y CA -0.514 57.698 58.100 0.186 0.000 1.069 107 Y CB 1.576 40.169 38.460 0.221 0.000 1.292 107 Y HN 0.316 nan 8.280 nan 0.000 0.430 108 Q N 5.105 124.643 119.800 -0.436 0.000 2.381 108 Q HA 0.221 4.561 4.340 0.000 0.000 0.263 108 Q C -1.292 174.350 176.000 -0.598 0.000 1.030 108 Q CA -1.004 54.593 55.803 -0.345 0.000 0.772 108 Q CB 1.397 30.055 28.738 -0.132 0.000 1.232 108 Q HN 0.670 nan 8.270 nan 0.000 0.476 109 H N 2.576 121.314 119.070 -0.554 0.000 2.848 109 H HA 0.176 4.733 4.556 0.000 0.000 0.341 109 H C -0.739 174.466 175.328 -0.204 0.000 1.060 109 H CA 0.640 56.472 56.048 -0.360 0.000 1.444 109 H CB 0.488 30.326 29.762 0.126 0.000 1.446 109 H HN 0.411 nan 8.280 nan 0.000 0.583 110 R N 3.503 123.671 120.500 -0.553 0.000 2.513 110 R HA 0.474 4.814 4.340 0.000 0.000 0.301 110 R C -1.300 174.648 176.300 -0.588 0.000 0.968 110 R CA -0.981 54.852 56.100 -0.445 0.000 0.872 110 R CB 2.056 32.202 30.300 -0.256 0.000 1.177 110 R HN 0.313 nan 8.270 nan 0.000 0.444 111 V N 4.196 123.832 119.914 -0.463 0.000 2.581 111 V HA 0.460 4.580 4.120 0.000 0.000 0.303 111 V C -0.707 175.236 176.094 -0.252 0.000 1.041 111 V CA -0.893 61.149 62.300 -0.430 0.000 0.907 111 V CB 1.822 33.312 31.823 -0.555 0.000 0.994 111 V HN 0.434 nan 8.190 nan 0.000 0.442 112 L N 3.263 124.343 121.223 -0.238 0.000 2.346 112 L HA 0.857 5.197 4.340 0.000 0.000 0.274 112 L C 0.192 176.949 176.870 -0.188 0.000 1.007 112 L CA -0.524 54.208 54.840 -0.179 0.000 0.818 112 L CB 1.668 43.623 42.059 -0.174 0.000 1.284 112 L HN 0.804 nan 8.230 nan 0.000 0.424 113 A N 1.482 124.226 122.820 -0.127 0.000 2.317 113 A HA 0.612 4.933 4.320 0.000 0.000 0.327 113 A C -0.202 177.261 177.584 -0.202 0.000 1.178 113 A CA -0.422 51.522 52.037 -0.155 0.000 0.817 113 A CB 1.012 20.005 19.000 -0.011 0.000 1.189 113 A HN 0.615 nan 8.150 nan 0.000 0.489 114 S N 2.146 117.645 115.700 -0.335 0.000 2.485 114 S HA 0.473 4.944 4.470 0.000 0.000 0.312 114 S C -0.650 173.821 174.600 -0.216 0.000 1.102 114 S CA -0.295 57.734 58.200 -0.285 0.000 1.066 114 S CB -0.780 62.168 63.200 -0.421 0.000 1.102 114 S HN 0.660 nan 8.310 nan 0.000 0.519 115 V N 4.989 124.774 119.914 -0.214 0.000 2.531 115 V HA 0.382 4.502 4.120 0.000 0.000 0.301 115 V C -0.502 175.485 176.094 -0.178 0.000 1.034 115 V CA -0.841 61.291 62.300 -0.279 0.000 0.865 115 V CB 1.681 33.185 31.823 -0.531 0.000 0.995 115 V HN 0.853 nan 8.190 nan 0.000 0.424 116 D N 4.004 124.320 120.400 -0.140 0.000 2.689 116 D HA -0.171 4.470 4.640 0.000 0.000 0.237 116 D C 1.332 177.597 176.300 -0.059 0.000 1.148 116 D CA 1.839 55.786 54.000 -0.089 0.000 0.656 116 D CB -1.105 39.641 40.800 -0.091 0.000 1.050 116 D HN 1.483 nan 8.370 nan 0.000 0.426 117 G N -0.664 108.110 108.800 -0.043 0.000 2.175 117 G HA2 -0.366 3.594 3.960 0.000 0.000 0.265 117 G HA3 -0.366 3.594 3.960 0.000 0.000 0.265 117 G C 0.244 175.129 174.900 -0.024 0.000 0.979 117 G CA 1.008 46.097 45.100 -0.018 0.000 0.663 117 G HN 0.555 nan 8.290 nan 0.000 0.533 118 Q N -1.212 118.559 119.800 -0.049 0.000 2.399 118 Q HA 0.746 5.087 4.340 0.000 0.000 0.276 118 Q C -0.128 175.830 176.000 -0.070 0.000 1.098 118 Q CA -0.947 54.826 55.803 -0.050 0.000 0.827 118 Q CB 1.919 30.628 28.738 -0.049 0.000 1.386 118 Q HN 0.233 nan 8.270 nan 0.000 0.443 119 L N 2.505 123.688 121.223 -0.065 0.000 2.264 119 L HA 0.383 4.724 4.340 0.000 0.000 0.287 119 L C -1.193 175.639 176.870 -0.063 0.000 1.039 119 L CA -0.561 54.228 54.840 -0.085 0.000 0.829 119 L CB 0.250 42.256 42.059 -0.090 0.000 1.211 119 L HN 0.252 nan 8.230 nan 0.000 0.427 120 L N 5.574 126.775 121.223 -0.037 0.000 2.342 120 L HA 0.641 4.981 4.340 0.000 0.000 0.271 120 L C -2.195 174.666 176.870 -0.016 0.000 1.008 120 L CA -2.402 52.439 54.840 0.001 0.000 0.818 120 L CB 1.453 43.571 42.059 0.098 0.000 1.296 120 L HN 0.214 nan 8.230 nan 0.000 0.427 121 P HA 0.257 nan 4.420 nan 0.000 0.268 121 P C -0.970 176.262 177.300 -0.114 0.000 1.204 121 P CA 0.088 63.133 63.100 -0.092 0.000 0.768 121 P CB 0.663 32.303 31.700 -0.101 0.000 0.842 122 I N 4.319 124.826 120.570 -0.105 0.000 2.569 122 I HA 0.473 4.643 4.170 0.000 0.000 0.290 122 I C -2.614 173.465 176.117 -0.063 0.000 1.088 122 I CA -3.290 57.936 61.300 -0.124 0.000 1.047 122 I CB 2.191 40.133 38.000 -0.096 0.000 1.237 122 I HN 0.201 nan 8.210 nan 0.000 0.421 123 P HA 0.087 nan 4.420 nan 0.000 0.268 123 P C -0.232 176.943 177.300 -0.208 0.000 1.208 123 P CA 0.173 63.147 63.100 -0.209 0.000 0.777 123 P CB 0.498 32.050 31.700 -0.246 0.000 0.875 124 I N 2.389 122.815 120.570 -0.240 0.000 2.741 124 I HA -0.090 4.080 4.170 0.000 0.000 0.288 124 I C 1.274 177.331 176.117 -0.099 0.000 1.192 124 I CA 0.821 61.966 61.300 -0.258 0.000 1.426 124 I CB -0.467 37.378 38.000 -0.258 0.000 1.367 124 I HN 0.515 nan 8.210 nan 0.000 0.563 125 N N 5.984 124.640 118.700 -0.074 0.000 3.102 125 N HA 0.280 5.021 4.740 0.000 0.000 0.299 125 N C 0.376 175.876 175.510 -0.017 0.000 1.482 125 N CA -0.896 52.141 53.050 -0.021 0.000 0.785 125 N CB 0.633 39.080 38.487 -0.068 0.000 1.680 125 N HN 0.413 nan 8.380 nan 0.000 0.594 126 L N -0.139 121.059 121.223 -0.042 0.000 2.021 126 L HA -0.209 4.131 4.340 0.000 0.000 0.215 126 L C 0.788 177.601 176.870 -0.094 0.000 1.074 126 L CA 2.190 56.979 54.840 -0.086 0.000 0.760 126 L CB -0.425 41.574 42.059 -0.099 0.000 0.889 126 L HN 0.558 nan 8.230 nan 0.000 0.433 127 D N -1.068 119.283 120.400 -0.082 0.000 2.178 127 D HA -0.143 4.497 4.640 0.000 0.000 0.201 127 D C 2.005 178.258 176.300 -0.080 0.000 0.980 127 D CA 1.652 55.605 54.000 -0.078 0.000 0.842 127 D CB -0.151 40.606 40.800 -0.071 0.000 0.948 127 D HN 0.396 nan 8.370 nan 0.000 0.472 128 T N 0.926 115.429 114.554 -0.084 0.000 2.652 128 T HA -0.112 4.238 4.350 0.000 0.000 0.267 128 T C 2.349 176.994 174.700 -0.092 0.000 1.039 128 T CA 1.065 63.113 62.100 -0.087 0.000 1.153 128 T CB -0.504 68.272 68.868 -0.154 0.000 0.863 128 T HN -0.022 nan 8.240 nan 0.000 0.428 129 V N 2.558 122.417 119.914 -0.092 0.000 2.261 129 V HA -0.201 3.919 4.120 0.000 0.000 0.246 129 V C 2.519 178.537 176.094 -0.127 0.000 1.047 129 V CA 1.706 63.938 62.300 -0.114 0.000 1.015 129 V CB -0.745 30.962 31.823 -0.193 0.000 0.642 129 V HN 0.409 nan 8.190 nan 0.000 0.446 130 N N 0.187 118.811 118.700 -0.128 0.000 2.104 130 N HA -0.153 4.587 4.740 0.000 0.000 0.190 130 N C 1.986 177.455 175.510 -0.068 0.000 1.024 130 N CA 1.518 54.509 53.050 -0.098 0.000 0.853 130 N CB -0.345 38.085 38.487 -0.095 0.000 1.008 130 N HN 0.495 nan 8.380 nan 0.000 0.424 131 R N -0.065 120.390 120.500 -0.075 0.000 2.075 131 R HA 0.027 4.367 4.340 0.000 0.000 0.226 131 R C 2.039 178.290 176.300 -0.081 0.000 1.114 131 R CA 0.365 56.428 56.100 -0.063 0.000 0.972 131 R CB -0.473 29.794 30.300 -0.055 0.000 0.869 131 R HN 0.097 nan 8.270 nan 0.000 0.437 132 L N -0.029 121.106 121.223 -0.147 0.000 2.013 132 L HA -0.209 4.131 4.340 0.000 0.000 0.212 132 L C 1.196 177.920 176.870 -0.243 0.000 1.073 132 L CA 1.909 56.587 54.840 -0.271 0.000 0.753 132 L CB -0.251 41.504 42.059 -0.507 0.000 0.890 132 L HN 0.153 nan 8.230 nan 0.000 0.432 133 Y N -0.659 119.631 120.300 -0.017 0.000 2.467 133 Y HA 0.465 5.015 4.550 0.000 0.000 0.250 133 Y C 1.617 177.493 175.900 -0.041 0.000 1.155 133 Y CA -0.299 57.786 58.100 -0.025 0.000 1.249 133 Y CB -0.284 38.145 38.460 -0.053 0.000 1.146 133 Y HN 0.200 nan 8.280 nan 0.000 0.524 134 G N 1.287 110.129 108.800 0.071 0.000 2.273 134 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 134 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 134 G C -0.060 174.847 174.900 0.012 0.000 1.047 134 G CA 0.259 45.376 45.100 0.029 0.000 0.869 134 G HN 0.298 nan 8.290 nan 0.000 0.502 135 L N -0.899 120.320 121.223 -0.006 0.000 2.448 135 L HA 0.536 4.877 4.340 0.000 0.000 0.258 135 L C 0.973 177.805 176.870 -0.063 0.000 1.104 135 L CA -1.008 53.798 54.840 -0.056 0.000 0.800 135 L CB 0.668 42.648 42.059 -0.132 0.000 1.241 135 L HN 0.105 nan 8.230 nan 0.000 0.472 136 N N 1.105 119.763 118.700 -0.070 0.000 2.536 136 N HA 0.279 5.019 4.740 0.000 0.000 0.286 136 N C -0.827 174.645 175.510 -0.063 0.000 1.577 136 N CA -0.107 52.909 53.050 -0.057 0.000 0.883 136 N CB 0.828 39.294 38.487 -0.035 0.000 1.390 136 N HN 0.376 nan 8.380 nan 0.000 0.491 137 L N 1.360 122.524 121.223 -0.099 0.000 2.461 137 L HA 0.142 4.482 4.340 0.000 0.000 0.272 137 L C 1.558 178.384 176.870 -0.073 0.000 1.197 137 L CA 0.130 54.913 54.840 -0.096 0.000 0.836 137 L CB 0.266 42.225 42.059 -0.167 0.000 1.105 137 L HN 0.147 nan 8.230 nan 0.000 0.477 138 T N -1.525 113.011 114.554 -0.030 0.000 2.847 138 T HA 0.134 4.484 4.350 0.000 0.000 0.279 138 T C 1.170 175.814 174.700 -0.094 0.000 0.984 138 T CA -0.575 61.512 62.100 -0.022 0.000 0.988 138 T CB 1.391 70.323 68.868 0.107 0.000 1.040 138 T HN 0.536 nan 8.240 nan 0.000 0.528 139 S N 0.200 115.767 115.700 -0.221 0.000 2.387 139 S HA -0.053 4.418 4.470 0.000 0.000 0.230 139 S C 1.486 175.901 174.600 -0.307 0.000 1.035 139 S CA 1.318 59.317 58.200 -0.335 0.000 1.014 139 S CB -0.764 62.120 63.200 -0.527 0.000 0.836 139 S HN 0.665 nan 8.310 nan 0.000 0.466 140 F N 1.647 121.587 119.950 -0.016 0.000 2.146 140 F HA -0.064 4.463 4.527 0.000 0.000 0.298 140 F C 2.617 178.413 175.800 -0.007 0.000 1.096 140 F CA 0.837 58.834 58.000 -0.006 0.000 1.275 140 F CB -0.752 38.244 39.000 -0.007 0.000 1.008 140 F HN 0.200 nan 8.300 nan 0.000 0.480 141 Q N -0.360 119.524 119.800 0.140 0.000 2.172 141 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 141 Q C 2.451 178.458 176.000 0.012 0.000 0.964 141 Q CA 1.175 57.019 55.803 0.069 0.000 0.855 141 Q CB -0.487 28.274 28.738 0.040 0.000 0.918 141 Q HN 0.334 nan 8.270 nan 0.000 0.444 142 V N 1.163 121.035 119.914 -0.071 0.000 2.515 142 V HA -0.257 3.863 4.120 0.000 0.000 0.250 142 V C 2.078 178.068 176.094 -0.173 0.000 1.058 142 V CA 1.935 64.110 62.300 -0.208 0.000 1.064 142 V CB -0.149 31.479 31.823 -0.325 0.000 0.675 142 V HN 0.391 nan 8.190 nan 0.000 0.461 143 E N -0.288 119.917 120.200 0.009 0.000 2.106 143 E HA -0.252 4.098 4.350 0.000 0.000 0.192 143 E C 2.050 178.735 176.600 0.141 0.000 0.984 143 E CA 1.618 58.109 56.400 0.152 0.000 0.806 143 E CB -0.064 29.718 29.700 0.137 0.000 0.750 143 E HN 0.798 nan 8.360 nan 0.000 0.458 144 E N -0.051 120.207 120.200 0.097 0.000 2.072 144 E HA -0.183 4.168 4.350 0.000 0.000 0.191 144 E C 1.898 178.545 176.600 0.078 0.000 0.985 144 E CA 1.028 57.477 56.400 0.082 0.000 0.801 144 E CB -0.327 29.415 29.700 0.071 0.000 0.750 144 E HN 0.286 nan 8.360 nan 0.000 0.452 145 F N 1.342 121.245 119.950 -0.078 0.000 2.065 145 F HA -0.273 4.255 4.527 0.000 0.000 0.298 145 F C 1.853 177.641 175.800 -0.020 0.000 1.112 145 F CA 1.433 59.368 58.000 -0.108 0.000 1.212 145 F CB -0.230 38.634 39.000 -0.227 0.000 0.975 145 F HN -0.118 nan 8.300 nan 0.000 0.476 146 F N 1.020 121.016 119.950 0.078 0.000 2.043 146 F HA -0.194 4.333 4.527 0.000 0.000 0.297 146 F C 2.729 178.443 175.800 -0.143 0.000 1.121 146 F CA 1.321 59.293 58.000 -0.047 0.000 1.199 146 F CB -1.723 37.313 39.000 0.061 0.000 0.968 146 F HN 0.090 nan 8.300 nan 0.000 0.478 147 A N -0.408 122.488 122.820 0.126 0.000 2.076 147 A HA -0.191 4.129 4.320 0.000 0.000 0.220 147 A C 2.299 179.858 177.584 -0.041 0.000 1.160 147 A CA 1.963 54.020 52.037 0.032 0.000 0.653 147 A CB -1.104 17.921 19.000 0.041 0.000 0.801 147 A HN 0.445 nan 8.150 nan 0.000 0.455 148 S N -0.548 115.090 115.700 -0.104 0.000 2.489 148 S HA -0.007 4.463 4.470 0.000 0.000 0.228 148 S C 1.444 175.930 174.600 -0.189 0.000 0.995 148 S CA 1.145 59.259 58.200 -0.143 0.000 0.934 148 S CB -0.472 62.637 63.200 -0.153 0.000 0.771 148 S HN 1.026 nan 8.310 nan 0.000 0.522 149 V N -2.138 117.629 119.914 -0.244 0.000 3.635 149 V HA 0.638 4.758 4.120 0.000 0.000 0.266 149 V C 0.969 177.004 176.094 -0.098 0.000 1.316 149 V CA -0.239 61.943 62.300 -0.197 0.000 1.060 149 V CB -0.892 30.762 31.823 -0.282 0.000 0.820 149 V HN 0.541 nan 8.190 nan 0.000 0.447 150 A N 1.412 124.187 122.820 -0.074 0.000 2.511 150 A HA 0.365 4.686 4.320 0.000 0.000 0.242 150 A C 0.329 177.876 177.584 -0.063 0.000 1.069 150 A CA 0.055 52.056 52.037 -0.059 0.000 0.763 150 A CB -0.207 18.763 19.000 -0.050 0.000 1.001 150 A HN 0.682 nan 8.150 nan 0.000 0.498 151 E N 1.172 121.329 120.200 -0.071 0.000 2.248 151 E HA 0.313 4.663 4.350 0.000 0.000 0.272 151 E C -0.511 176.046 176.600 -0.072 0.000 1.008 151 E CA -0.722 55.636 56.400 -0.070 0.000 0.856 151 E CB 1.440 31.091 29.700 -0.081 0.000 1.120 151 E HN 0.580 nan 8.360 nan 0.000 0.397 152 K N 1.485 121.848 120.400 -0.061 0.000 2.156 152 K HA 0.381 4.701 4.320 0.000 0.000 0.271 152 K C -1.268 175.297 176.600 -0.059 0.000 0.995 152 K CA -0.470 55.783 56.287 -0.056 0.000 0.890 152 K CB 1.057 33.531 32.500 -0.043 0.000 1.073 152 K HN 0.217 nan 8.250 nan 0.000 0.454 153 V N 3.368 123.246 119.914 -0.060 0.000 2.656 153 V HA 0.145 4.265 4.120 0.000 0.000 0.307 153 V C 0.605 176.671 176.094 -0.048 0.000 1.051 153 V CA -0.726 61.539 62.300 -0.059 0.000 0.893 153 V CB 1.628 33.407 31.823 -0.073 0.000 0.999 153 V HN 0.882 nan 8.190 nan 0.000 0.426 154 E N 1.605 121.781 120.200 -0.040 0.000 2.046 154 E HA -0.015 4.335 4.350 0.000 0.000 0.190 154 E C 0.756 177.336 176.600 -0.033 0.000 0.982 154 E CA 1.015 57.395 56.400 -0.033 0.000 0.800 154 E CB 0.310 29.994 29.700 -0.027 0.000 0.756 154 E HN 0.644 nan 8.360 nan 0.000 0.449 155 Q N 0.538 120.318 119.800 -0.035 0.000 2.320 155 Q HA 0.238 4.578 4.340 0.000 0.000 0.268 155 Q C -1.456 174.519 176.000 -0.041 0.000 1.023 155 Q CA -0.478 55.305 55.803 -0.034 0.000 0.744 155 Q CB 2.094 30.816 28.738 -0.027 0.000 1.246 155 Q HN -0.013 nan 8.270 nan 0.000 0.462 156 V N 5.460 125.346 119.914 -0.047 0.000 2.416 156 V HA -0.049 4.071 4.120 0.000 0.000 0.267 156 V C 1.115 177.180 176.094 -0.048 0.000 1.007 156 V CA 1.105 63.370 62.300 -0.057 0.000 1.102 156 V CB 0.025 31.810 31.823 -0.064 0.000 1.035 156 V HN 0.717 nan 8.190 nan 0.000 0.473 157 R N 2.229 122.700 120.500 -0.049 0.000 2.098 157 R HA 0.124 4.464 4.340 0.000 0.000 0.203 157 R C 1.265 177.538 176.300 -0.045 0.000 1.166 157 R CA 0.753 56.830 56.100 -0.039 0.000 1.090 157 R CB 0.095 30.376 30.300 -0.031 0.000 0.992 157 R HN 0.743 nan 8.270 nan 0.000 0.477 158 T N -2.061 112.462 114.554 -0.052 0.000 2.788 158 T HA 0.126 4.476 4.350 0.000 0.000 0.280 158 T C 1.023 175.684 174.700 -0.064 0.000 0.984 158 T CA -0.478 61.590 62.100 -0.052 0.000 0.972 158 T CB 1.605 70.446 68.868 -0.045 0.000 1.039 158 T HN -0.092 nan 8.240 nan 0.000 0.530 159 S N -0.580 115.087 115.700 -0.054 0.000 2.561 159 S HA 0.007 4.478 4.470 0.000 0.000 0.225 159 S C 1.682 176.268 174.600 -0.023 0.000 0.977 159 S CA 0.512 58.685 58.200 -0.045 0.000 0.926 159 S CB -0.443 62.736 63.200 -0.036 0.000 0.769 159 S HN 0.827 nan 8.310 nan 0.000 0.533 160 E N 1.160 121.333 120.200 -0.044 0.000 2.075 160 E HA -0.117 4.233 4.350 0.000 0.000 0.190 160 E C 1.000 177.445 176.600 -0.258 0.000 0.969 160 E CA 0.854 57.157 56.400 -0.161 0.000 0.815 160 E CB 0.001 29.602 29.700 -0.166 0.000 0.776 160 E HN 0.278 nan 8.360 nan 0.000 0.457 161 D N 1.042 121.337 120.400 -0.174 0.000 2.127 161 D HA -0.209 4.431 4.640 0.000 0.000 0.190 161 D C 2.147 178.348 176.300 -0.165 0.000 1.000 161 D CA 2.299 56.204 54.000 -0.157 0.000 0.839 161 D CB -0.668 40.068 40.800 -0.108 0.000 0.955 161 D HN 0.290 nan 8.370 nan 0.000 0.446 162 V N -0.514 119.310 119.914 -0.151 0.000 2.469 162 V HA -0.188 3.932 4.120 0.000 0.000 0.251 162 V C 2.401 178.363 176.094 -0.219 0.000 1.064 162 V CA 1.310 63.513 62.300 -0.162 0.000 1.066 162 V CB -0.980 30.756 31.823 -0.146 0.000 0.667 162 V HN 0.039 nan 8.190 nan 0.000 0.461 163 V N -0.927 118.831 119.914 -0.260 0.000 2.492 163 V HA 0.007 4.127 4.120 0.000 0.000 0.241 163 V C 2.505 178.460 176.094 -0.232 0.000 1.041 163 V CA 1.354 63.464 62.300 -0.316 0.000 1.057 163 V CB 0.276 31.874 31.823 -0.375 0.000 0.711 163 V HN 0.354 nan 8.190 nan 0.000 0.468 164 V N 1.535 121.284 119.914 -0.275 0.000 2.490 164 V HA -0.185 3.935 4.120 0.000 0.000 0.250 164 V C 2.553 178.547 176.094 -0.166 0.000 1.061 164 V CA 2.279 64.432 62.300 -0.245 0.000 1.064 164 V CB -0.358 31.235 31.823 -0.383 0.000 0.670 164 V HN 0.756 nan 8.190 nan 0.000 0.461 165 S N -1.371 114.229 115.700 -0.167 0.000 2.607 165 S HA 0.020 4.490 4.470 0.000 0.000 0.224 165 S C 1.465 175.989 174.600 -0.125 0.000 0.969 165 S CA 0.541 58.664 58.200 -0.129 0.000 0.927 165 S CB -0.062 63.067 63.200 -0.118 0.000 0.772 165 S HN 0.680 nan 8.310 nan 0.000 0.533 166 K N 0.372 120.676 120.400 -0.160 0.000 2.412 166 K HA 0.216 4.536 4.320 0.000 0.000 0.201 166 K C 1.425 177.878 176.600 -0.244 0.000 1.275 166 K CA 0.953 57.122 56.287 -0.197 0.000 0.910 166 K CB 0.517 32.866 32.500 -0.253 0.000 1.346 166 K HN 0.327 nan 8.250 nan 0.000 0.490 167 V N -1.836 117.939 119.914 -0.231 0.000 3.528 167 V HA 0.446 4.566 4.120 0.000 0.000 0.294 167 V C 0.550 176.693 176.094 0.080 0.000 1.404 167 V CA 0.207 62.417 62.300 -0.150 0.000 1.065 167 V CB -0.099 31.593 31.823 -0.218 0.000 0.904 167 V HN 0.409 nan 8.190 nan 0.000 0.435 168 G N 1.314 110.122 108.800 0.013 0.000 2.710 168 G HA2 -0.207 3.753 3.960 0.000 0.000 0.668 168 G HA3 -0.207 3.753 3.960 0.000 0.000 0.668 168 G C 0.114 175.075 174.900 0.103 0.000 1.320 168 G CA 0.316 45.437 45.100 0.035 0.000 0.860 168 G HN 0.579 nan 8.290 nan 0.000 0.538 169 R N -0.082 120.477 120.500 0.098 0.000 2.062 169 R HA 0.045 4.385 4.340 0.000 0.000 0.229 169 R C 2.193 178.661 176.300 0.279 0.000 1.128 169 R CA 2.431 58.627 56.100 0.160 0.000 0.960 169 R CB -0.930 29.427 30.300 0.094 0.000 0.855 169 R HN 0.644 nan 8.270 nan 0.000 0.432 170 D N -0.399 120.148 120.400 0.244 0.000 2.097 170 D HA -0.114 4.526 4.640 0.000 0.000 0.195 170 D C 1.869 178.377 176.300 0.348 0.000 0.989 170 D CA 1.336 55.502 54.000 0.278 0.000 0.827 170 D CB -0.026 40.950 40.800 0.294 0.000 0.966 170 D HN 0.263 nan 8.370 nan 0.000 0.456 171 L N -0.490 120.985 121.223 0.420 0.000 2.093 171 L HA -0.156 4.184 4.340 0.000 0.000 0.208 171 L C 2.287 179.485 176.870 0.547 0.000 1.085 171 L CA 1.028 56.178 54.840 0.516 0.000 0.755 171 L CB -0.632 41.712 42.059 0.475 0.000 0.904 171 L HN 0.208 nan 8.230 nan 0.000 0.435 172 Y N 1.447 121.935 120.300 0.314 0.000 2.128 172 Y HA -0.301 4.249 4.550 0.000 0.000 0.284 172 Y C 2.443 178.522 175.900 0.299 0.000 1.154 172 Y CA 1.880 60.161 58.100 0.302 0.000 1.149 172 Y CB -0.289 38.252 38.460 0.135 0.000 0.976 172 Y HN 0.204 nan 8.280 nan 0.000 0.505 173 N N 0.446 119.234 118.700 0.147 0.000 2.188 173 N HA -0.134 4.606 4.740 0.000 0.000 0.184 173 N C 1.679 177.165 175.510 -0.041 0.000 1.018 173 N CA 1.470 54.509 53.050 -0.019 0.000 0.858 173 N CB -0.283 38.264 38.487 0.101 0.000 0.989 173 N HN 0.414 nan 8.380 nan 0.000 0.426 174 K N -1.059 119.359 120.400 0.029 0.000 2.167 174 K HA 0.083 4.403 4.320 0.000 0.000 0.203 174 K C 0.863 177.201 176.600 -0.436 0.000 1.052 174 K CA 0.849 57.017 56.287 -0.199 0.000 0.956 174 K CB 0.135 32.504 32.500 -0.219 0.000 0.735 174 K HN 0.108 nan 8.250 nan 0.000 0.451 175 F N -2.783 117.138 119.950 -0.049 0.000 2.747 175 F HA 0.206 4.733 4.527 0.000 0.000 0.305 175 F C 1.102 176.638 175.800 -0.441 0.000 1.065 175 F CA -0.132 57.724 58.000 -0.239 0.000 1.230 175 F CB 0.512 39.352 39.000 -0.265 0.000 1.027 175 F HN -0.124 nan 8.300 nan 0.000 0.607 176 F N -0.803 119.163 119.950 0.027 0.000 2.557 176 F HA 0.262 4.789 4.527 0.000 0.000 0.278 176 F C 2.332 178.060 175.800 -0.120 0.000 1.051 176 F CA 0.096 58.084 58.000 -0.019 0.000 1.357 176 F CB -0.388 38.625 39.000 0.021 0.000 1.104 176 F HN -0.388 nan 8.300 nan 0.000 0.654 177 R N 0.818 121.147 120.500 -0.286 0.000 2.082 177 R HA -0.120 4.220 4.340 0.000 0.000 0.234 177 R C 2.383 178.666 176.300 -0.028 0.000 1.136 177 R CA 1.922 57.847 56.100 -0.293 0.000 0.935 177 R CB -1.072 28.929 30.300 -0.498 0.000 0.842 177 R HN 0.376 nan 8.270 nan 0.000 0.430 178 G N -0.598 108.184 108.800 -0.029 0.000 2.418 178 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 178 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 178 G C 1.341 176.281 174.900 0.068 0.000 1.158 178 G CA 0.874 45.982 45.100 0.013 0.000 0.771 178 G HN 0.504 nan 8.290 nan 0.000 0.545 179 Y N 1.685 121.975 120.300 -0.017 0.000 2.181 179 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 179 Y C 3.138 179.097 175.900 0.098 0.000 1.146 179 Y CA 2.260 60.370 58.100 0.016 0.000 1.164 179 Y CB -0.188 38.258 38.460 -0.023 0.000 0.982 179 Y HN 0.204 nan 8.280 nan 0.000 0.515 180 T N 0.294 115.066 114.554 0.364 0.000 2.777 180 T HA -0.144 4.206 4.350 0.000 0.000 0.266 180 T C 1.851 176.744 174.700 0.322 0.000 1.040 180 T CA 1.577 63.942 62.100 0.441 0.000 1.141 180 T CB -0.211 68.891 68.868 0.389 0.000 0.868 180 T HN 0.303 nan 8.240 nan 0.000 0.444 181 R N 0.792 121.400 120.500 0.181 0.000 2.091 181 R HA -0.043 4.298 4.340 0.000 0.000 0.238 181 R C 2.560 178.903 176.300 0.072 0.000 1.136 181 R CA 1.336 57.513 56.100 0.128 0.000 0.959 181 R CB -0.134 30.214 30.300 0.079 0.000 0.856 181 R HN 0.294 nan 8.270 nan 0.000 0.437 182 K N 0.272 120.668 120.400 -0.006 0.000 2.002 182 K HA -0.232 4.088 4.320 0.000 0.000 0.209 182 K C 2.223 178.732 176.600 -0.151 0.000 1.048 182 K CA 1.674 57.904 56.287 -0.095 0.000 0.930 182 K CB 0.027 32.417 32.500 -0.182 0.000 0.714 182 K HN -0.041 nan 8.250 nan 0.000 0.438 183 Q N -0.833 118.819 119.800 -0.246 0.000 2.119 183 Q HA -0.144 4.197 4.340 0.000 0.000 0.201 183 Q C 0.994 176.705 176.000 -0.482 0.000 0.972 183 Q CA 1.807 57.333 55.803 -0.462 0.000 0.847 183 Q CB -0.034 28.329 28.738 -0.625 0.000 0.903 183 Q HN 0.402 nan 8.270 nan 0.000 0.433 184 W N -1.439 119.828 121.300 -0.056 0.000 3.058 184 W HA 0.427 5.087 4.660 0.000 0.000 0.306 184 W C 1.132 177.659 176.519 0.013 0.000 1.188 184 W CA 0.170 57.506 57.345 -0.014 0.000 1.651 184 W CB 0.439 29.911 29.460 0.020 0.000 1.051 184 W HN 0.253 nan 8.180 nan 0.000 0.592 185 G N 1.043 109.954 108.800 0.184 0.000 2.168 185 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 185 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 185 G C -0.595 174.397 174.900 0.154 0.000 0.997 185 G CA 0.259 45.438 45.100 0.133 0.000 0.708 185 G HN 0.095 nan 8.290 nan 0.000 0.520 186 L N -0.455 120.890 121.223 0.203 0.000 2.434 186 L HA 0.591 4.931 4.340 0.000 0.000 0.260 186 L C -0.094 176.862 176.870 0.144 0.000 0.983 186 L CA -1.312 53.623 54.840 0.158 0.000 0.820 186 L CB 1.882 44.033 42.059 0.154 0.000 1.361 186 L HN 0.218 nan 8.230 nan 0.000 0.410 187 D N 2.736 123.200 120.400 0.107 0.000 2.362 187 D HA 0.232 4.873 4.640 0.000 0.000 0.242 187 D C -1.643 174.719 176.300 0.102 0.000 1.132 187 D CA -0.984 53.086 54.000 0.116 0.000 0.907 187 D CB 1.441 42.304 40.800 0.105 0.000 1.195 187 D HN 0.309 nan 8.370 nan 0.000 0.429 188 P HA -0.131 nan 4.420 nan 0.000 0.223 188 P C 0.770 178.108 177.300 0.063 0.000 1.144 188 P CA 0.941 64.119 63.100 0.130 0.000 0.783 188 P CB 0.018 31.902 31.700 0.307 0.000 0.771 189 S N -1.121 114.620 115.700 0.068 0.000 2.489 189 S HA -0.041 4.429 4.470 0.000 0.000 0.228 189 S C 1.325 175.928 174.600 0.006 0.000 0.995 189 S CA 0.590 58.803 58.200 0.022 0.000 0.934 189 S CB -0.761 62.455 63.200 0.026 0.000 0.771 189 S HN 0.265 nan 8.310 nan 0.000 0.522 190 E N 0.620 120.825 120.200 0.008 0.000 2.451 190 E HA 0.378 4.728 4.350 0.000 0.000 0.194 190 E C -0.674 175.904 176.600 -0.038 0.000 1.027 190 E CA -0.113 56.286 56.400 -0.001 0.000 0.914 190 E CB 0.225 29.939 29.700 0.024 0.000 1.054 190 E HN 0.493 nan 8.360 nan 0.000 0.461 191 L N 0.606 121.785 121.223 -0.073 0.000 2.388 191 L HA 0.300 4.640 4.340 0.000 0.000 0.264 191 L C -0.002 176.808 176.870 -0.100 0.000 0.998 191 L CA -1.087 53.669 54.840 -0.140 0.000 0.817 191 L CB 2.030 43.914 42.059 -0.292 0.000 1.338 191 L HN -0.037 nan 8.230 nan 0.000 0.414 192 D N 1.429 121.777 120.400 -0.087 0.000 2.472 192 D HA 0.005 4.645 4.640 0.000 0.000 0.237 192 D C 0.838 177.101 176.300 -0.062 0.000 1.141 192 D CA 0.370 54.339 54.000 -0.052 0.000 0.875 192 D CB 1.783 42.569 40.800 -0.023 0.000 1.192 192 D HN 0.718 nan 8.370 nan 0.000 0.450 193 A N 2.954 125.744 122.820 -0.049 0.000 2.234 193 A HA -0.165 4.155 4.320 0.000 0.000 0.216 193 A C 2.072 179.628 177.584 -0.047 0.000 1.167 193 A CA 1.591 53.594 52.037 -0.056 0.000 0.698 193 A CB -0.438 18.527 19.000 -0.058 0.000 0.779 193 A HN 0.602 nan 8.150 nan 0.000 0.475 194 S N -0.896 114.785 115.700 -0.031 0.000 2.481 194 S HA -0.044 4.427 4.470 0.000 0.000 0.231 194 S C 1.605 176.198 174.600 -0.012 0.000 0.996 194 S CA 1.003 59.194 58.200 -0.015 0.000 0.942 194 S CB -0.567 62.639 63.200 0.011 0.000 0.768 194 S HN 0.234 nan 8.310 nan 0.000 0.520 195 V N 3.085 122.990 119.914 -0.015 0.000 2.229 195 V HA -0.142 3.978 4.120 0.000 0.000 0.243 195 V C 3.193 179.338 176.094 0.085 0.000 1.042 195 V CA 2.217 64.537 62.300 0.034 0.000 1.000 195 V CB -1.619 30.121 31.823 -0.137 0.000 0.637 195 V HN 0.830 nan 8.190 nan 0.000 0.446 196 T N -1.228 113.360 114.554 0.058 0.000 3.035 196 T HA 0.058 4.408 4.350 0.000 0.000 0.268 196 T C 1.729 176.426 174.700 -0.006 0.000 1.109 196 T CA 1.049 63.204 62.100 0.091 0.000 1.119 196 T CB -0.244 68.628 68.868 0.008 0.000 0.900 196 T HN 0.430 nan 8.240 nan 0.000 0.503 197 A N 1.818 124.614 122.820 -0.041 0.000 2.121 197 A HA 0.059 4.379 4.320 0.000 0.000 0.218 197 A C 2.495 180.052 177.584 -0.046 0.000 1.154 197 A CA 0.764 52.763 52.037 -0.063 0.000 0.679 197 A CB -0.638 18.327 19.000 -0.059 0.000 0.795 197 A HN 0.533 nan 8.150 nan 0.000 0.458 198 R N -0.888 119.599 120.500 -0.022 0.000 2.127 198 R HA -0.060 4.281 4.340 0.000 0.000 0.238 198 R C -0.243 176.028 176.300 -0.049 0.000 1.134 198 R CA 1.191 57.273 56.100 -0.031 0.000 0.975 198 R CB -0.158 30.122 30.300 -0.034 0.000 0.865 198 R HN 0.309 nan 8.270 nan 0.000 0.447 199 V N 2.986 122.891 119.914 -0.014 0.000 2.235 199 V HA 0.226 4.347 4.120 0.000 0.000 0.266 199 V C -2.263 173.806 176.094 -0.043 0.000 1.055 199 V CA -1.773 60.486 62.300 -0.068 0.000 0.844 199 V CB 0.871 32.710 31.823 0.028 0.000 1.097 199 V HN 0.037 nan 8.190 nan 0.000 0.453 200 P HA 0.367 nan 4.420 nan 0.000 0.274 200 P C 0.100 177.318 177.300 -0.136 0.000 1.246 200 P CA -0.073 62.952 63.100 -0.126 0.000 0.795 200 P CB 0.530 32.158 31.700 -0.120 0.000 1.006 201 T N -0.882 113.570 114.554 -0.170 0.000 2.907 201 T HA 0.610 4.961 4.350 0.000 0.000 0.284 201 T C 0.061 174.679 174.700 -0.138 0.000 1.004 201 T CA -0.873 61.113 62.100 -0.189 0.000 1.063 201 T CB 1.046 69.701 68.868 -0.356 0.000 0.992 201 T HN 0.249 nan 8.240 nan 0.000 0.483 202 R N 0.376 120.836 120.500 -0.066 0.000 2.832 202 R HA 0.599 4.939 4.340 0.000 0.000 0.271 202 R C 1.049 177.415 176.300 0.109 0.000 0.996 202 R CA -0.663 55.429 56.100 -0.014 0.000 0.977 202 R CB 1.503 31.771 30.300 -0.053 0.000 1.168 202 R HN 0.923 nan 8.270 nan 0.000 0.482 203 T N -3.123 111.475 114.554 0.073 0.000 3.044 203 T HA 0.051 4.402 4.350 0.000 0.000 0.260 203 T C 0.520 175.189 174.700 -0.052 0.000 1.019 203 T CA -0.359 61.783 62.100 0.071 0.000 0.921 203 T CB -0.251 68.655 68.868 0.064 0.000 1.053 203 T HN 0.579 nan 8.240 nan 0.000 0.533 204 N N 1.681 120.343 118.700 -0.064 0.000 2.514 204 N HA 0.298 5.038 4.740 0.000 0.000 0.299 204 N C 0.306 175.765 175.510 -0.086 0.000 1.292 204 N CA -1.069 51.921 53.050 -0.099 0.000 0.963 204 N CB 0.475 38.904 38.487 -0.096 0.000 1.124 204 N HN 0.074 nan 8.380 nan 0.000 0.580 205 R N -1.575 118.872 120.500 -0.089 0.000 2.586 205 R HA 0.196 4.536 4.340 0.000 0.000 0.336 205 R C -0.718 175.534 176.300 -0.079 0.000 1.060 205 R CA -0.480 55.571 56.100 -0.081 0.000 1.079 205 R CB -0.208 30.045 30.300 -0.078 0.000 1.317 205 R HN 0.554 nan 8.270 nan 0.000 0.568 206 D N 2.153 122.504 120.400 -0.083 0.000 2.401 206 D HA -0.045 4.595 4.640 0.000 0.000 0.254 206 D C 0.430 176.671 176.300 -0.099 0.000 1.192 206 D CA 0.244 54.192 54.000 -0.087 0.000 0.885 206 D CB 0.762 41.508 40.800 -0.089 0.000 1.147 206 D HN 0.210 nan 8.370 nan 0.000 0.478 207 N N 2.614 121.254 118.700 -0.099 0.000 2.204 207 N HA 0.022 4.762 4.740 0.000 0.000 0.219 207 N C -0.169 175.265 175.510 -0.126 0.000 1.151 207 N CA -0.363 52.620 53.050 -0.111 0.000 0.867 207 N CB 0.117 38.544 38.487 -0.100 0.000 1.043 207 N HN 0.136 nan 8.380 nan 0.000 0.516 208 R N -0.226 120.199 120.500 -0.126 0.000 2.594 208 R HA 0.120 4.460 4.340 0.000 0.000 0.272 208 R C 0.399 176.590 176.300 -0.182 0.000 1.074 208 R CA -0.484 55.535 56.100 -0.135 0.000 1.105 208 R CB 0.433 30.675 30.300 -0.097 0.000 1.008 208 R HN 0.026 nan 8.270 nan 0.000 0.472 209 Y N 1.423 121.471 120.300 -0.420 0.000 2.242 209 Y HA -0.010 4.541 4.550 0.000 0.000 0.291 209 Y C -0.120 175.300 175.900 -0.801 0.000 1.137 209 Y CA 1.251 58.947 58.100 -0.673 0.000 1.181 209 Y CB 0.333 38.243 38.460 -0.916 0.000 0.989 209 Y HN 0.376 nan 8.280 nan 0.000 0.527 210 F N -1.865 118.016 119.950 -0.116 0.000 2.522 210 F HA 0.566 5.093 4.527 0.000 0.000 0.324 210 F C 0.624 176.335 175.800 -0.149 0.000 1.077 210 F CA -0.697 57.175 58.000 -0.212 0.000 0.944 210 F CB 1.505 40.312 39.000 -0.322 0.000 1.175 210 F HN -0.222 nan 8.300 nan 0.000 0.468 211 A N 0.692 123.539 122.820 0.045 0.000 2.500 211 A HA 0.264 4.585 4.320 0.000 0.000 0.267 211 A C -0.287 177.293 177.584 -0.007 0.000 1.290 211 A CA -0.369 51.662 52.037 -0.010 0.000 0.928 211 A CB -0.818 18.153 19.000 -0.048 0.000 1.066 211 A HN 0.692 nan 8.150 nan 0.000 0.516 212 D N -0.196 120.228 120.400 0.041 0.000 2.400 212 D HA 0.179 4.819 4.640 0.000 0.000 0.238 212 D C 1.307 177.547 176.300 -0.100 0.000 1.157 212 D CA 0.626 54.628 54.000 0.004 0.000 0.889 212 D CB 0.729 41.569 40.800 0.067 0.000 1.199 212 D HN 0.113 nan 8.370 nan 0.000 0.436 213 T N 0.428 114.866 114.554 -0.193 0.000 2.777 213 T HA -0.131 4.219 4.350 0.000 0.000 0.266 213 T C 0.237 174.514 174.700 -0.705 0.000 1.040 213 T CA 1.216 63.036 62.100 -0.467 0.000 1.141 213 T CB -0.211 68.285 68.868 -0.621 0.000 0.868 213 T HN 0.338 nan 8.240 nan 0.000 0.444 214 Y N 1.261 121.405 120.300 -0.260 0.000 2.334 214 Y HA 0.547 5.097 4.550 0.000 0.000 0.336 214 Y C 0.122 175.877 175.900 -0.241 0.000 0.960 214 Y CA -0.998 56.824 58.100 -0.463 0.000 1.164 214 Y CB 0.987 38.942 38.460 -0.842 0.000 1.155 214 Y HN -0.020 nan 8.280 nan 0.000 0.478 215 Q N 2.879 122.645 119.800 -0.056 0.000 2.294 215 Q HA 0.831 5.172 4.340 0.000 0.000 0.264 215 Q C -1.301 174.810 176.000 0.185 0.000 0.992 215 Q CA -0.782 55.085 55.803 0.107 0.000 0.747 215 Q CB 2.289 31.081 28.738 0.091 0.000 1.262 215 Q HN 0.805 nan 8.270 nan 0.000 0.452 216 A N 2.634 125.659 122.820 0.342 0.000 2.597 216 A HA 0.751 5.072 4.320 0.000 0.000 0.292 216 A C -1.619 176.341 177.584 0.627 0.000 1.057 216 A CA -0.727 51.575 52.037 0.443 0.000 0.674 216 A CB 1.549 20.769 19.000 0.368 0.000 1.278 216 A HN 0.507 nan 8.150 nan 0.000 0.416 217 M N 1.359 121.287 119.600 0.546 0.000 2.364 217 M HA 0.401 4.881 4.480 0.000 0.000 0.334 217 M C -2.606 173.790 176.300 0.159 0.000 1.107 217 M CA -2.475 53.033 55.300 0.346 0.000 0.988 217 M CB 0.931 33.631 32.600 0.166 0.000 1.673 217 M HN 0.292 nan 8.290 nan 0.000 0.441 218 P HA -0.047 nan 4.420 nan 0.000 0.260 218 P C 0.904 177.961 177.300 -0.405 0.000 1.185 218 P CA -0.051 62.701 63.100 -0.580 0.000 0.763 218 P CB 0.218 31.488 31.700 -0.717 0.000 0.776 219 L N 4.643 125.598 121.223 -0.446 0.000 2.081 219 L HA -0.193 4.148 4.340 0.000 0.000 0.212 219 L C 1.351 177.923 176.870 -0.497 0.000 1.080 219 L CA 2.143 56.712 54.840 -0.451 0.000 0.754 219 L CB -0.855 40.846 42.059 -0.596 0.000 0.893 219 L HN 0.468 nan 8.230 nan 0.000 0.433 220 H N -0.664 118.303 119.070 -0.171 0.000 2.528 220 H HA 0.550 5.106 4.556 0.000 0.000 0.282 220 H C 0.855 176.099 175.328 -0.140 0.000 1.097 220 H CA 0.388 56.368 56.048 -0.113 0.000 1.121 220 H CB -0.270 29.441 29.762 -0.085 0.000 1.590 220 H HN 0.348 nan 8.280 nan 0.000 0.553 221 G N -0.050 108.655 108.800 -0.159 0.000 2.662 221 G HA2 -0.247 3.713 3.960 0.000 0.000 0.686 221 G HA3 -0.247 3.713 3.960 0.000 0.000 0.686 221 G C 0.069 174.826 174.900 -0.239 0.000 1.271 221 G CA -0.495 44.480 45.100 -0.208 0.000 0.816 221 G HN 0.224 nan 8.290 nan 0.000 0.608 222 Y N 0.367 120.605 120.300 -0.102 0.000 2.200 222 Y HA -0.083 4.467 4.550 0.000 0.000 0.290 222 Y C 3.406 179.326 175.900 0.034 0.000 1.137 222 Y CA 2.386 60.449 58.100 -0.062 0.000 1.163 222 Y CB -0.468 38.005 38.460 0.022 0.000 0.988 222 Y HN 0.656 nan 8.280 nan 0.000 0.518 223 T N 0.238 114.876 114.554 0.139 0.000 2.684 223 T HA -0.195 4.155 4.350 0.000 0.000 0.267 223 T C 1.989 176.741 174.700 0.086 0.000 1.036 223 T CA 1.386 63.554 62.100 0.114 0.000 1.148 223 T CB -0.176 68.643 68.868 -0.081 0.000 0.863 223 T HN 0.222 nan 8.240 nan 0.000 0.436 224 R N 0.605 121.111 120.500 0.010 0.000 2.091 224 R HA -0.001 4.340 4.340 0.000 0.000 0.238 224 R C 2.466 178.735 176.300 -0.052 0.000 1.136 224 R CA 1.115 57.208 56.100 -0.012 0.000 0.959 224 R CB -0.819 29.475 30.300 -0.009 0.000 0.856 224 R HN 0.463 nan 8.270 nan 0.000 0.437 225 M N -0.133 119.394 119.600 -0.121 0.000 2.065 225 M HA -0.196 4.285 4.480 0.000 0.000 0.259 225 M C 1.896 178.038 176.300 -0.262 0.000 1.069 225 M CA 1.899 57.057 55.300 -0.237 0.000 1.110 225 M CB -0.253 32.115 32.600 -0.387 0.000 1.328 225 M HN -0.010 nan 8.290 nan 0.000 0.405 226 F N 0.608 120.443 119.950 -0.191 0.000 2.161 226 F HA -0.287 4.241 4.527 0.000 0.000 0.300 226 F C 2.560 178.247 175.800 -0.189 0.000 1.089 226 F CA 1.767 59.626 58.000 -0.235 0.000 1.282 226 F CB -0.462 38.414 39.000 -0.207 0.000 1.010 226 F HN 0.310 nan 8.300 nan 0.000 0.485 227 Q N -0.106 119.728 119.800 0.057 0.000 2.084 227 Q HA -0.199 4.142 4.340 0.000 0.000 0.202 227 Q C 1.948 177.932 176.000 -0.027 0.000 0.978 227 Q CA 1.433 57.244 55.803 0.012 0.000 0.844 227 Q CB -0.229 28.519 28.738 0.016 0.000 0.898 227 Q HN 0.373 nan 8.270 nan 0.000 0.426 228 N N 0.572 119.248 118.700 -0.040 0.000 2.106 228 N HA -0.159 4.581 4.740 0.000 0.000 0.188 228 N C 1.601 177.072 175.510 -0.064 0.000 1.029 228 N CA 1.129 54.180 53.050 0.001 0.000 0.848 228 N CB -0.271 38.256 38.487 0.067 0.000 1.007 228 N HN 0.238 nan 8.380 nan 0.000 0.423 229 M N 0.162 119.558 119.600 -0.340 0.000 2.267 229 M HA -0.060 4.420 4.480 0.000 0.000 0.263 229 M C 0.763 176.843 176.300 -0.366 0.000 1.063 229 M CA 1.384 56.200 55.300 -0.807 0.000 1.090 229 M CB 0.127 32.185 32.600 -0.902 0.000 1.392 229 M HN 0.032 nan 8.290 nan 0.000 0.422 230 L N -0.559 120.561 121.223 -0.171 0.000 2.769 230 L HA 0.161 4.501 4.340 0.000 0.000 0.240 230 L C 1.890 178.732 176.870 -0.046 0.000 1.163 230 L CA -0.024 54.761 54.840 -0.093 0.000 0.962 230 L CB -0.124 41.900 42.059 -0.058 0.000 1.258 230 L HN 0.345 nan 8.230 nan 0.000 0.513 231 S N -2.092 113.590 115.700 -0.031 0.000 2.522 231 S HA -0.031 4.439 4.470 0.000 0.000 0.227 231 S C 1.138 175.743 174.600 0.009 0.000 0.986 231 S CA -0.140 58.058 58.200 -0.004 0.000 0.929 231 S CB -0.067 63.136 63.200 0.005 0.000 0.769 231 S HN 0.299 nan 8.310 nan 0.000 0.529 232 S N 3.130 118.838 115.700 0.012 0.000 2.561 232 S HA 0.114 4.584 4.470 0.000 0.000 0.294 232 S C -1.586 173.032 174.600 0.031 0.000 1.294 232 S CA -0.839 57.376 58.200 0.025 0.000 1.055 232 S CB 0.477 63.693 63.200 0.027 0.000 0.819 232 S HN 0.213 nan 8.310 nan 0.000 0.503 233 P HA 0.025 nan 4.420 nan 0.000 0.228 233 P C 0.349 177.686 177.300 0.061 0.000 1.151 233 P CA 0.651 63.776 63.100 0.042 0.000 0.770 233 P CB 0.034 31.755 31.700 0.035 0.000 0.786 234 N N -0.670 118.070 118.700 0.067 0.000 2.336 234 N HA 0.112 4.852 4.740 0.000 0.000 0.189 234 N C 0.203 175.786 175.510 0.123 0.000 1.113 234 N CA 0.281 53.390 53.050 0.098 0.000 0.858 234 N CB 0.163 38.706 38.487 0.093 0.000 0.970 234 N HN 0.250 nan 8.380 nan 0.000 0.471 235 I N 1.236 121.858 120.570 0.086 0.000 2.382 235 I HA 0.220 4.390 4.170 0.000 0.000 0.286 235 I C -0.372 175.780 176.117 0.058 0.000 1.002 235 I CA -0.863 60.474 61.300 0.062 0.000 1.135 235 I CB 1.283 39.288 38.000 0.008 0.000 1.288 235 I HN -0.405 nan 8.210 nan 0.000 0.448 236 K N 5.931 126.368 120.400 0.062 0.000 2.159 236 K HA 0.582 4.902 4.320 0.000 0.000 0.266 236 K C -0.674 175.892 176.600 -0.057 0.000 0.975 236 K CA -0.733 55.577 56.287 0.038 0.000 0.865 236 K CB 2.469 35.047 32.500 0.130 0.000 1.087 236 K HN 0.257 nan 8.250 nan 0.000 0.446 237 V N 3.893 123.781 119.914 -0.043 0.000 2.417 237 V HA 0.428 4.548 4.120 0.000 0.000 0.291 237 V C -0.190 175.862 176.094 -0.071 0.000 1.024 237 V CA -0.767 61.489 62.300 -0.073 0.000 0.861 237 V CB 1.464 33.251 31.823 -0.060 0.000 0.985 237 V HN 0.719 nan 8.190 nan 0.000 0.436 238 M N 6.264 125.806 119.600 -0.098 0.000 2.181 238 M HA 0.648 5.128 4.480 0.000 0.000 0.323 238 M C -1.576 174.665 176.300 -0.098 0.000 1.004 238 M CA -0.273 54.978 55.300 -0.082 0.000 0.941 238 M CB 1.247 33.795 32.600 -0.087 0.000 1.579 238 M HN 0.533 nan 8.290 nan 0.000 0.427 239 L N 3.312 124.483 121.223 -0.086 0.000 2.303 239 L HA 0.539 4.880 4.340 0.000 0.000 0.266 239 L C 0.592 177.404 176.870 -0.095 0.000 1.011 239 L CA -0.933 53.839 54.840 -0.112 0.000 0.818 239 L CB 1.558 43.547 42.059 -0.117 0.000 1.326 239 L HN 0.916 nan 8.230 nan 0.000 0.435 240 N N -0.046 118.584 118.700 -0.118 0.000 2.725 240 N HA -0.166 4.575 4.740 0.000 0.000 0.249 240 N C -0.988 174.481 175.510 -0.069 0.000 1.103 240 N CA 1.077 54.072 53.050 -0.092 0.000 0.707 240 N CB -0.633 37.813 38.487 -0.068 0.000 1.043 240 N HN 0.770 nan 8.380 nan 0.000 0.553 241 T N 0.214 114.723 114.554 -0.076 0.000 2.906 241 T HA 0.146 4.497 4.350 0.000 0.000 0.302 241 T C -0.884 173.782 174.700 -0.057 0.000 1.002 241 T CA -0.761 61.304 62.100 -0.057 0.000 0.988 241 T CB 1.544 70.381 68.868 -0.052 0.000 0.972 241 T HN 0.106 nan 8.240 nan 0.000 0.447 242 D N 1.670 122.037 120.400 -0.055 0.000 2.389 242 D HA 0.041 4.682 4.640 0.000 0.000 0.247 242 D C 1.183 177.443 176.300 -0.067 0.000 1.128 242 D CA -0.363 53.609 54.000 -0.047 0.000 0.884 242 D CB 0.829 41.578 40.800 -0.087 0.000 1.194 242 D HN 0.707 nan 8.370 nan 0.000 0.441 243 Y N 3.226 123.468 120.300 -0.096 0.000 2.256 243 Y HA -0.112 4.439 4.550 0.000 0.000 0.288 243 Y C 1.961 177.785 175.900 -0.127 0.000 1.155 243 Y CA 0.912 58.937 58.100 -0.125 0.000 1.203 243 Y CB -0.194 38.200 38.460 -0.110 0.000 0.980 243 Y HN 0.284 nan 8.280 nan 0.000 0.530 244 R N 0.706 120.705 120.500 -0.835 0.000 2.189 244 R HA -0.069 4.271 4.340 0.000 0.000 0.218 244 R C 1.782 177.880 176.300 -0.337 0.000 1.074 244 R CA 1.242 56.939 56.100 -0.672 0.000 0.991 244 R CB -0.213 29.669 30.300 -0.698 0.000 0.883 244 R HN 0.560 nan 8.270 nan 0.000 0.457 245 E N 0.434 120.489 120.200 -0.241 0.000 2.418 245 E HA -0.116 4.234 4.350 0.000 0.000 0.197 245 E C 1.142 177.637 176.600 -0.174 0.000 1.026 245 E CA 0.864 57.190 56.400 -0.123 0.000 0.862 245 E CB 0.235 29.905 29.700 -0.050 0.000 0.799 245 E HN 0.429 nan 8.360 nan 0.000 0.518 246 I N -5.454 114.923 120.570 -0.322 0.000 4.557 246 I HA 0.366 4.537 4.170 0.000 0.000 0.333 246 I C 1.724 177.466 176.117 -0.624 0.000 1.332 246 I CA -0.131 60.825 61.300 -0.574 0.000 1.240 246 I CB 0.515 38.397 38.000 -0.197 0.000 1.312 246 I HN -0.172 nan 8.210 nan 0.000 0.457 247 A N 1.443 124.053 122.820 -0.350 0.000 1.940 247 A HA -0.177 4.143 4.320 0.000 0.000 0.219 247 A C 1.903 179.425 177.584 -0.102 0.000 1.176 247 A CA 2.295 54.283 52.037 -0.082 0.000 0.631 247 A CB -0.748 18.267 19.000 0.024 0.000 0.814 247 A HN 0.493 nan 8.150 nan 0.000 0.446 248 D N -0.216 120.003 120.400 -0.301 0.000 2.092 248 D HA -0.158 4.483 4.640 0.000 0.000 0.193 248 D C 1.555 177.821 176.300 -0.057 0.000 0.994 248 D CA 1.979 55.889 54.000 -0.149 0.000 0.828 248 D CB -0.441 40.330 40.800 -0.048 0.000 0.963 248 D HN 0.690 nan 8.370 nan 0.000 0.450 249 F N -0.412 119.586 119.950 0.079 0.000 2.731 249 F HA 0.346 4.873 4.527 0.000 0.000 0.298 249 F C 0.952 176.821 175.800 0.115 0.000 1.106 249 F CA -0.484 57.562 58.000 0.076 0.000 1.329 249 F CB -0.264 38.768 39.000 0.053 0.000 1.100 249 F HN -0.255 nan 8.300 nan 0.000 0.592 250 I N 3.647 124.275 120.570 0.097 0.000 2.304 250 I HA 0.305 4.475 4.170 0.000 0.000 0.291 250 I C -2.411 173.898 176.117 0.321 0.000 1.018 250 I CA -2.070 59.376 61.300 0.243 0.000 1.260 250 I CB 0.926 39.055 38.000 0.216 0.000 1.390 250 I HN -0.239 nan 8.210 nan 0.000 0.475 251 P HA 0.182 nan 4.420 nan 0.000 0.276 251 P C -1.076 176.430 177.300 0.343 0.000 1.243 251 P CA 0.106 63.319 63.100 0.189 0.000 0.768 251 P CB 0.146 31.914 31.700 0.114 0.000 0.856 252 F N 0.087 120.098 119.950 0.102 0.000 2.588 252 F HA 0.435 4.962 4.527 0.000 0.000 0.314 252 F C 0.748 176.571 175.800 0.038 0.000 1.134 252 F CA -0.914 57.148 58.000 0.103 0.000 0.961 252 F CB 1.148 40.207 39.000 0.098 0.000 1.239 252 F HN -0.004 nan 8.300 nan 0.000 0.448 253 Q N 1.353 121.208 119.800 0.090 0.000 2.230 253 Q HA -0.015 4.325 4.340 0.000 0.000 0.202 253 Q C -0.437 175.591 176.000 0.046 0.000 0.963 253 Q CA 1.363 57.157 55.803 -0.015 0.000 0.866 253 Q CB -0.173 28.541 28.738 -0.041 0.000 0.931 253 Q HN 0.873 nan 8.270 nan 0.000 0.452 254 H N -1.561 117.507 119.070 -0.003 0.000 3.085 254 H HA 0.427 4.983 4.556 0.000 0.000 0.356 254 H C -1.557 173.912 175.328 0.235 0.000 1.178 254 H CA -0.407 55.649 56.048 0.013 0.000 1.214 254 H CB 1.152 30.724 29.762 -0.318 0.000 1.881 254 H HN -0.026 nan 8.280 nan 0.000 0.538 255 M N 6.054 125.557 119.600 -0.162 0.000 2.336 255 M HA 0.515 4.995 4.480 0.000 0.000 0.342 255 M C -1.457 174.738 176.300 -0.174 0.000 1.128 255 M CA -0.657 54.567 55.300 -0.126 0.000 1.016 255 M CB 0.746 33.291 32.600 -0.091 0.000 1.665 255 M HN 0.582 nan 8.290 nan 0.000 0.445 256 I N 5.027 125.562 120.570 -0.058 0.000 2.362 256 I HA 0.288 4.459 4.170 0.000 0.000 0.289 256 I C -1.560 174.417 176.117 -0.233 0.000 0.994 256 I CA -0.751 60.503 61.300 -0.077 0.000 1.158 256 I CB 1.424 39.443 38.000 0.033 0.000 1.315 256 I HN 0.661 nan 8.210 nan 0.000 0.451 257 Y N 5.502 125.473 120.300 -0.548 0.000 2.341 257 Y HA 0.338 4.888 4.550 0.000 0.000 0.338 257 Y C 0.791 176.385 175.900 -0.509 0.000 0.965 257 Y CA -0.511 57.168 58.100 -0.701 0.000 1.108 257 Y CB 1.756 39.478 38.460 -1.231 0.000 1.180 257 Y HN 0.620 nan 8.280 nan 0.000 0.458 258 T N 1.106 115.086 114.554 -0.957 0.000 3.091 258 T HA 0.389 4.739 4.350 0.000 0.000 0.277 258 T C 0.729 174.994 174.700 -0.726 0.000 0.996 258 T CA 0.178 61.905 62.100 -0.621 0.000 0.897 258 T CB -0.330 68.342 68.868 -0.327 0.000 1.109 258 T HN 0.764 nan 8.240 nan 0.000 0.534 259 G N 2.369 110.330 108.800 -1.398 0.000 2.553 259 G HA2 0.553 4.513 3.960 0.000 0.000 0.278 259 G HA3 0.553 4.513 3.960 0.000 0.000 0.278 259 G C -2.772 171.983 174.900 -0.240 0.000 1.349 259 G CA -1.498 43.145 45.100 -0.762 0.000 1.037 259 G HN 0.221 nan 8.290 nan 0.000 0.508 260 P HA 0.140 nan 4.420 nan 0.000 0.271 260 P C 1.173 178.664 177.300 0.318 0.000 1.218 260 P CA -0.373 62.812 63.100 0.142 0.000 0.780 260 P CB 1.084 32.782 31.700 -0.004 0.000 0.901 261 V N 0.658 120.767 119.914 0.326 0.000 2.379 261 V HA -0.192 3.929 4.120 0.000 0.000 0.245 261 V C 1.799 177.853 176.094 -0.067 0.000 1.044 261 V CA 2.097 64.561 62.300 0.273 0.000 1.036 261 V CB -1.617 30.429 31.823 0.372 0.000 0.664 261 V HN 0.463 nan 8.190 nan 0.000 0.453 262 D N 2.707 122.869 120.400 -0.396 0.000 2.104 262 D HA -0.196 4.445 4.640 0.000 0.000 0.194 262 D C 2.070 177.929 176.300 -0.735 0.000 0.994 262 D CA 2.005 55.507 54.000 -0.830 0.000 0.830 262 D CB -0.790 39.675 40.800 -0.558 0.000 0.959 262 D HN 0.495 nan 8.370 nan 0.000 0.452 263 A N 0.113 122.510 122.820 -0.705 0.000 1.948 263 A HA -0.142 4.178 4.320 0.000 0.000 0.220 263 A C 2.141 179.480 177.584 -0.408 0.000 1.177 263 A CA 1.492 53.057 52.037 -0.787 0.000 0.636 263 A CB -1.326 17.546 19.000 -0.213 0.000 0.815 263 A HN 0.305 nan 8.150 nan 0.000 0.449 264 F N -1.115 118.564 119.950 -0.451 0.000 2.293 264 F HA 0.026 4.553 4.527 0.000 0.000 0.300 264 F C 1.022 176.438 175.800 -0.639 0.000 1.086 264 F CA 0.991 58.599 58.000 -0.653 0.000 1.375 264 F CB -0.015 38.291 39.000 -1.156 0.000 1.045 264 F HN 0.180 nan 8.300 nan 0.000 0.516 265 F N 0.543 120.447 119.950 -0.076 0.000 2.750 265 F HA 0.196 4.723 4.527 0.000 0.000 0.297 265 F C 0.282 176.007 175.800 -0.125 0.000 1.138 265 F CA -0.476 57.483 58.000 -0.068 0.000 1.346 265 F CB -0.239 38.833 39.000 0.119 0.000 0.965 265 F HN -0.139 nan 8.300 nan 0.000 0.514 266 D N -0.663 119.661 120.400 -0.126 0.000 3.059 266 D HA -0.292 4.349 4.640 0.000 0.000 0.220 266 D C 0.237 176.642 176.300 0.175 0.000 1.169 266 D CA 1.243 55.223 54.000 -0.033 0.000 0.902 266 D CB -1.798 39.019 40.800 0.027 0.000 1.116 266 D HN 0.422 nan 8.370 nan 0.000 0.417 267 F N -3.314 116.735 119.950 0.165 0.000 2.926 267 F HA -0.357 4.170 4.527 0.000 0.000 0.288 267 F C 2.234 178.149 175.800 0.193 0.000 0.756 267 F CA 0.481 58.605 58.000 0.207 0.000 1.292 267 F CB -2.562 36.517 39.000 0.131 0.000 1.482 267 F HN 0.402 nan 8.300 nan 0.000 0.400 268 C N -2.140 117.269 119.300 0.181 0.000 2.430 268 C HA -0.087 4.373 4.460 0.000 0.000 0.288 268 C C 1.720 176.648 174.990 -0.103 0.000 1.448 268 C CA 0.898 59.880 59.018 -0.061 0.000 1.784 268 C CB -1.456 26.118 27.740 -0.277 0.000 1.776 268 C HN 0.502 nan 8.230 nan 0.000 0.547 269 Y N 1.979 122.338 120.300 0.099 0.000 2.660 269 Y HA 0.514 5.064 4.550 0.000 0.000 0.254 269 Y C 1.352 177.342 175.900 0.151 0.000 1.176 269 Y CA -0.414 57.666 58.100 -0.033 0.000 1.195 269 Y CB -0.601 37.624 38.460 -0.391 0.000 1.190 269 Y HN 0.612 nan 8.280 nan 0.000 0.535 270 G N 0.849 109.884 108.800 0.391 0.000 2.707 270 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 270 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 270 G C -0.911 174.266 174.900 0.462 0.000 1.315 270 G CA -1.101 44.205 45.100 0.344 0.000 0.832 270 G HN 0.207 nan 8.290 nan 0.000 0.573 271 K N 0.060 120.661 120.400 0.335 0.000 2.349 271 K HA 0.531 4.851 4.320 0.000 0.000 0.288 271 K C 0.723 177.502 176.600 0.299 0.000 1.058 271 K CA -0.484 56.020 56.287 0.362 0.000 0.953 271 K CB 0.477 33.098 32.500 0.202 0.000 0.997 271 K HN 0.533 nan 8.250 nan 0.000 0.477 272 L N 8.055 129.445 121.223 0.279 0.000 2.433 272 L HA 0.188 4.528 4.340 0.000 0.000 0.275 272 L C -1.940 175.005 176.870 0.125 0.000 1.128 272 L CA -1.965 52.932 54.840 0.096 0.000 0.875 272 L CB 0.633 42.617 42.059 -0.126 0.000 1.171 272 L HN 0.620 nan 8.230 nan 0.000 0.463 273 P HA 0.070 nan 4.420 nan 0.000 0.266 273 P C -1.318 176.063 177.300 0.135 0.000 1.215 273 P CA 0.428 63.637 63.100 0.182 0.000 0.763 273 P CB 0.234 32.041 31.700 0.178 0.000 0.806 274 Y N 1.937 122.391 120.300 0.257 0.000 2.621 274 Y HA 0.687 5.237 4.550 0.000 0.000 0.334 274 Y C 0.914 176.913 175.900 0.165 0.000 1.074 274 Y CA -0.853 57.371 58.100 0.207 0.000 1.149 274 Y CB 1.709 40.254 38.460 0.142 0.000 1.302 274 Y HN 0.158 nan 8.280 nan 0.000 0.501 275 R N 0.210 120.914 120.500 0.341 0.000 2.740 275 R HA 0.704 5.045 4.340 0.000 0.000 0.282 275 R C -0.874 175.563 176.300 0.229 0.000 0.969 275 R CA -0.389 55.841 56.100 0.216 0.000 0.918 275 R CB 1.978 32.339 30.300 0.103 0.000 1.175 275 R HN 0.703 nan 8.270 nan 0.000 0.464 276 S N 2.196 117.990 115.700 0.156 0.000 2.823 276 S HA 0.780 5.251 4.470 0.000 0.000 0.316 276 S C -1.439 173.310 174.600 0.249 0.000 1.116 276 S CA -0.688 57.620 58.200 0.180 0.000 0.911 276 S CB 0.702 63.917 63.200 0.025 0.000 1.276 276 S HN 0.420 nan 8.310 nan 0.000 0.565 277 L N 1.214 122.606 121.223 0.282 0.000 2.505 277 L HA 0.513 4.853 4.340 0.000 0.000 0.259 277 L C -0.957 175.807 176.870 -0.177 0.000 0.952 277 L CA -0.498 54.333 54.840 -0.015 0.000 0.840 277 L CB 2.212 44.122 42.059 -0.248 0.000 1.358 277 L HN 0.678 nan 8.230 nan 0.000 0.409 278 E N 1.794 121.858 120.200 -0.227 0.000 2.179 278 E HA 0.571 4.922 4.350 0.000 0.000 0.275 278 E C -1.736 174.702 176.600 -0.269 0.000 0.945 278 E CA -0.566 55.741 56.400 -0.156 0.000 0.792 278 E CB 1.423 31.113 29.700 -0.018 0.000 1.125 278 E HN 0.315 nan 8.360 nan 0.000 0.397 279 F N 2.434 122.501 119.950 0.195 0.000 2.480 279 F HA 0.474 5.001 4.527 0.000 0.000 0.329 279 F C 0.443 176.292 175.800 0.081 0.000 1.091 279 F CA -0.938 57.130 58.000 0.113 0.000 0.972 279 F CB 1.569 40.596 39.000 0.045 0.000 1.150 279 F HN 0.280 nan 8.300 nan 0.000 0.467 280 R N 2.663 123.299 120.500 0.226 0.000 2.371 280 R HA 0.305 4.645 4.340 0.000 0.000 0.312 280 R C -1.137 175.223 176.300 0.099 0.000 0.980 280 R CA -0.531 55.679 56.100 0.184 0.000 0.867 280 R CB 0.409 30.863 30.300 0.257 0.000 1.163 280 R HN 0.710 nan 8.270 nan 0.000 0.492 281 H N 2.565 121.761 119.070 0.210 0.000 2.487 281 H HA 0.311 4.868 4.556 0.000 0.000 0.333 281 H C -0.455 174.949 175.328 0.128 0.000 1.114 281 H CA -0.155 55.997 56.048 0.174 0.000 1.310 281 H CB 1.745 31.576 29.762 0.115 0.000 1.462 281 H HN 0.542 nan 8.280 nan 0.000 0.516 282 E N 0.937 121.278 120.200 0.235 0.000 2.356 282 E HA 0.291 4.641 4.350 0.000 0.000 0.275 282 E C -1.031 175.597 176.600 0.047 0.000 0.904 282 E CA -0.757 55.701 56.400 0.097 0.000 0.757 282 E CB 2.496 32.283 29.700 0.145 0.000 1.232 282 E HN 0.425 nan 8.360 nan 0.000 0.442 283 T N 1.742 116.231 114.554 -0.108 0.000 2.812 283 T HA 0.438 4.788 4.350 0.000 0.000 0.282 283 T C -1.144 173.414 174.700 -0.237 0.000 0.990 283 T CA -0.680 61.373 62.100 -0.078 0.000 0.960 283 T CB 0.594 69.431 68.868 -0.052 0.000 0.948 283 T HN 0.322 nan 8.240 nan 0.000 0.438 284 H N 0.628 119.705 119.070 0.012 0.000 2.621 284 H HA 0.397 4.953 4.556 0.000 0.000 0.360 284 H C -0.215 175.114 175.328 0.002 0.000 1.163 284 H CA -0.848 55.210 56.048 0.016 0.000 1.194 284 H CB 1.093 30.869 29.762 0.024 0.000 1.649 284 H HN 0.405 nan 8.280 nan 0.000 0.532 285 D N 1.007 121.485 120.400 0.131 0.000 3.085 285 D HA 0.091 4.731 4.640 0.000 0.000 0.243 285 D C -0.557 175.794 176.300 0.085 0.000 1.232 285 D CA 0.232 54.280 54.000 0.079 0.000 0.913 285 D CB -0.239 40.605 40.800 0.073 0.000 1.108 285 D HN 0.441 nan 8.370 nan 0.000 0.468 286 T N -1.267 113.338 114.554 0.084 0.000 2.883 286 T HA 0.207 4.557 4.350 0.000 0.000 0.301 286 T C 0.897 175.629 174.700 0.052 0.000 1.158 286 T CA -0.513 61.625 62.100 0.064 0.000 1.007 286 T CB 1.536 70.434 68.868 0.050 0.000 1.186 286 T HN -0.020 nan 8.240 nan 0.000 0.499 287 E N 0.671 120.899 120.200 0.046 0.000 2.152 287 E HA -0.003 4.347 4.350 0.000 0.000 0.192 287 E C 0.476 177.082 176.600 0.009 0.000 0.983 287 E CA 0.664 57.087 56.400 0.039 0.000 0.818 287 E CB 0.309 30.031 29.700 0.038 0.000 0.758 287 E HN 0.463 nan 8.360 nan 0.000 0.467 288 Q N 0.172 119.977 119.800 0.009 0.000 2.268 288 Q HA 0.159 4.499 4.340 0.000 0.000 0.266 288 Q C -0.490 175.518 176.000 0.014 0.000 1.006 288 Q CA -0.216 55.588 55.803 0.002 0.000 0.824 288 Q CB 1.693 30.429 28.738 -0.003 0.000 1.306 288 Q HN 0.071 nan 8.270 nan 0.000 0.424 289 L N 3.972 125.202 121.223 0.011 0.000 2.286 289 L HA 0.389 4.729 4.340 0.000 0.000 0.203 289 L C -0.447 176.417 176.870 -0.010 0.000 1.068 289 L CA 0.928 55.743 54.840 -0.041 0.000 0.811 289 L CB 0.639 42.618 42.059 -0.134 0.000 0.989 289 L HN 0.576 nan 8.230 nan 0.000 0.467 290 L N 0.156 121.411 121.223 0.053 0.000 2.322 290 L HA 0.406 4.746 4.340 0.000 0.000 0.269 290 L C -1.574 175.324 176.870 0.046 0.000 1.012 290 L CA -1.629 53.211 54.840 -0.000 0.000 0.815 290 L CB 1.054 43.047 42.059 -0.110 0.000 1.295 290 L HN -0.173 nan 8.230 nan 0.000 0.438 291 P HA 0.022 nan 4.420 nan 0.000 0.235 291 P C 0.087 177.283 177.300 -0.172 0.000 1.177 291 P CA 0.647 63.722 63.100 -0.042 0.000 0.785 291 P CB 0.468 32.136 31.700 -0.054 0.000 0.885 292 T N -5.167 109.131 114.554 -0.426 0.000 2.696 292 T HA 0.526 4.876 4.350 0.000 0.000 0.291 292 T C 1.405 175.583 174.700 -0.870 0.000 1.095 292 T CA -0.127 61.616 62.100 -0.596 0.000 1.026 292 T CB 0.789 69.452 68.868 -0.342 0.000 1.390 292 T HN -0.124 nan 8.240 nan 0.000 0.513 293 G N 0.312 108.820 108.800 -0.487 0.000 2.418 293 G HA2 0.227 4.187 3.960 0.000 0.000 0.217 293 G HA3 0.227 4.187 3.960 0.000 0.000 0.217 293 G C 0.293 175.121 174.900 -0.120 0.000 1.158 293 G CA 0.894 45.920 45.100 -0.123 0.000 0.771 293 G HN 0.869 nan 8.290 nan 0.000 0.545 294 T N -0.529 113.909 114.554 -0.194 0.000 2.921 294 T HA 0.508 4.858 4.350 0.000 0.000 0.297 294 T C -1.121 173.443 174.700 -0.226 0.000 1.013 294 T CA -0.476 61.521 62.100 -0.172 0.000 0.990 294 T CB 2.805 71.629 68.868 -0.074 0.000 1.023 294 T HN -0.052 nan 8.240 nan 0.000 0.447 295 V N 3.967 123.773 119.914 -0.180 0.000 2.417 295 V HA 0.476 4.596 4.120 0.000 0.000 0.291 295 V C -0.288 175.707 176.094 -0.166 0.000 1.024 295 V CA -0.986 61.188 62.300 -0.210 0.000 0.861 295 V CB 1.664 33.365 31.823 -0.204 0.000 0.985 295 V HN 0.739 nan 8.190 nan 0.000 0.436 296 N N 2.739 121.307 118.700 -0.220 0.000 2.498 296 N HA 0.465 5.205 4.740 0.000 0.000 0.287 296 N C -1.143 174.239 175.510 -0.214 0.000 1.097 296 N CA -0.282 52.736 53.050 -0.054 0.000 0.973 296 N CB 1.102 39.534 38.487 -0.091 0.000 1.153 296 N HN 0.555 nan 8.380 nan 0.000 0.472 297 Y N 1.441 121.859 120.300 0.196 0.000 2.842 297 Y HA 0.312 4.863 4.550 0.000 0.000 0.334 297 Y C -1.480 174.504 175.900 0.139 0.000 1.019 297 Y CA -1.746 56.438 58.100 0.140 0.000 1.258 297 Y CB 1.496 40.050 38.460 0.158 0.000 1.106 297 Y HN 0.535 nan 8.280 nan 0.000 0.545 298 P HA -0.085 nan 4.420 nan 0.000 0.218 298 P C 0.381 177.712 177.300 0.051 0.000 1.149 298 P CA 1.533 64.724 63.100 0.151 0.000 0.817 298 P CB 0.526 32.196 31.700 -0.050 0.000 0.785 299 N N -1.751 116.956 118.700 0.012 0.000 2.118 299 N HA 0.110 4.850 4.740 0.000 0.000 0.226 299 N C -0.351 175.120 175.510 -0.066 0.000 1.305 299 N CA 0.178 53.203 53.050 -0.041 0.000 0.890 299 N CB 1.133 39.571 38.487 -0.082 0.000 1.118 299 N HN 0.175 nan 8.380 nan 0.000 0.511 300 D N 0.176 120.556 120.400 -0.033 0.000 2.547 300 D HA 0.357 4.997 4.640 0.000 0.000 0.231 300 D C -0.507 175.635 176.300 -0.264 0.000 1.099 300 D CA -0.170 53.701 54.000 -0.216 0.000 0.901 300 D CB 2.052 42.712 40.800 -0.234 0.000 1.478 300 D HN -0.178 nan 8.370 nan 0.000 0.471 301 Y N -0.608 119.487 120.300 -0.341 0.000 2.504 301 Y HA -0.265 4.285 4.550 0.000 0.000 0.025 301 Y C 1.074 176.649 175.900 -0.541 0.000 1.699 301 Y CA 0.147 57.868 58.100 -0.632 0.000 1.421 301 Y CB -0.954 36.658 38.460 -1.413 0.000 2.066 301 Y HN 0.523 nan 8.280 nan 0.000 0.254 302 A N 0.864 123.499 122.820 -0.308 0.000 2.016 302 A HA 0.077 4.397 4.320 0.000 0.000 0.217 302 A C 0.305 177.773 177.584 -0.193 0.000 1.162 302 A CA 1.336 53.305 52.037 -0.114 0.000 0.662 302 A CB -0.657 18.433 19.000 0.151 0.000 0.812 302 A HN 0.639 nan 8.150 nan 0.000 0.450 303 Y N -1.532 118.577 120.300 -0.317 0.000 2.307 303 Y HA 0.486 5.036 4.550 0.000 0.000 0.324 303 Y C 1.444 177.202 175.900 -0.238 0.000 1.238 303 Y CA -0.353 57.414 58.100 -0.554 0.000 1.280 303 Y CB 0.010 37.962 38.460 -0.847 0.000 1.248 303 Y HN 0.043 nan 8.280 nan 0.000 0.508 304 T N -0.954 113.575 114.554 -0.041 0.000 3.009 304 T HA 0.209 4.559 4.350 0.000 0.000 0.258 304 T C 0.260 175.098 174.700 0.231 0.000 1.063 304 T CA 0.479 62.535 62.100 -0.075 0.000 1.139 304 T CB -0.175 68.474 68.868 -0.366 0.000 0.890 304 T HN 0.856 nan 8.240 nan 0.000 0.471 305 R N -0.616 120.025 120.500 0.235 0.000 2.728 305 R HA 0.648 4.989 4.340 0.000 0.000 0.274 305 R C -2.388 173.928 176.300 0.027 0.000 1.032 305 R CA -1.088 55.163 56.100 0.253 0.000 0.866 305 R CB 1.314 31.720 30.300 0.177 0.000 1.263 305 R HN 0.010 nan 8.270 nan 0.000 0.475 306 V N 0.829 120.700 119.914 -0.071 0.000 2.540 306 V HA 0.615 4.735 4.120 0.000 0.000 0.302 306 V C -0.499 175.404 176.094 -0.319 0.000 1.035 306 V CA -0.750 61.300 62.300 -0.417 0.000 0.873 306 V CB 1.927 33.374 31.823 -0.626 0.000 0.992 306 V HN 0.847 nan 8.190 nan 0.000 0.428 307 S N 2.577 118.038 115.700 -0.398 0.000 2.542 307 S HA 0.598 5.068 4.470 0.000 0.000 0.293 307 S C -0.733 173.559 174.600 -0.514 0.000 1.089 307 S CA -0.722 57.239 58.200 -0.397 0.000 0.961 307 S CB 2.132 65.092 63.200 -0.400 0.000 1.062 307 S HN 0.859 nan 8.310 nan 0.000 0.483 308 E N 1.378 121.364 120.200 -0.358 0.000 2.145 308 E HA 0.348 4.698 4.350 0.000 0.000 0.262 308 E C -0.478 176.017 176.600 -0.175 0.000 0.883 308 E CA -0.462 55.810 56.400 -0.214 0.000 0.748 308 E CB 0.461 30.195 29.700 0.057 0.000 1.140 308 E HN 0.597 nan 8.360 nan 0.000 0.417 309 F N 3.294 123.210 119.950 -0.057 0.000 2.234 309 F HA -0.092 4.435 4.527 0.000 0.000 0.299 309 F C 2.036 177.761 175.800 -0.125 0.000 1.087 309 F CA 0.810 58.721 58.000 -0.148 0.000 1.340 309 F CB 0.069 38.924 39.000 -0.243 0.000 1.031 309 F HN 0.447 nan 8.300 nan 0.000 0.500 310 K N -0.538 119.893 120.400 0.053 0.000 2.103 310 K HA -0.185 4.135 4.320 0.000 0.000 0.207 310 K C 1.838 178.392 176.600 -0.076 0.000 1.048 310 K CA 1.240 57.505 56.287 -0.036 0.000 0.930 310 K CB -0.353 32.100 32.500 -0.077 0.000 0.716 310 K HN 0.370 nan 8.250 nan 0.000 0.444 311 H N 0.217 119.273 119.070 -0.023 0.000 2.387 311 H HA -0.103 4.454 4.556 0.000 0.000 0.299 311 H C 2.103 177.326 175.328 -0.175 0.000 1.099 311 H CA 1.438 57.490 56.048 0.006 0.000 1.315 311 H CB 0.011 29.822 29.762 0.082 0.000 1.380 311 H HN 0.201 nan 8.280 nan 0.000 0.513 312 I N 0.312 120.794 120.570 -0.148 0.000 2.400 312 I HA -0.150 4.020 4.170 0.000 0.000 0.248 312 I C 2.567 178.415 176.117 -0.447 0.000 1.109 312 I CA 1.434 62.407 61.300 -0.546 0.000 1.425 312 I CB -0.049 37.871 38.000 -0.133 0.000 1.094 312 I HN 0.246 nan 8.210 nan 0.000 0.425 313 T N -2.365 112.085 114.554 -0.173 0.000 3.051 313 T HA 0.208 4.558 4.350 0.000 0.000 0.255 313 T C 1.698 176.350 174.700 -0.079 0.000 1.085 313 T CA 0.577 62.618 62.100 -0.098 0.000 1.109 313 T CB 0.332 69.162 68.868 -0.064 0.000 0.921 313 T HN 0.479 nan 8.240 nan 0.000 0.488 314 G N 1.250 110.002 108.800 -0.079 0.000 2.162 314 G HA2 -0.315 3.646 3.960 0.000 0.000 0.260 314 G HA3 -0.315 3.646 3.960 0.000 0.000 0.260 314 G C -0.090 174.810 174.900 0.000 0.000 0.976 314 G CA 0.339 45.423 45.100 -0.026 0.000 0.655 314 G HN 0.917 nan 8.290 nan 0.000 0.533 315 Q N 0.231 120.033 119.800 0.003 0.000 2.330 315 Q HA 0.324 4.664 4.340 0.000 0.000 0.279 315 Q C 0.719 176.758 176.000 0.065 0.000 1.024 315 Q CA -0.297 55.535 55.803 0.048 0.000 0.900 315 Q CB 0.378 29.149 28.738 0.054 0.000 1.221 315 Q HN 0.530 nan 8.270 nan 0.000 0.396 316 R N 3.064 123.619 120.500 0.092 0.000 2.404 316 R HA 0.266 4.606 4.340 0.000 0.000 0.291 316 R C -1.167 175.244 176.300 0.187 0.000 1.025 316 R CA -0.237 55.924 56.100 0.102 0.000 0.991 316 R CB 0.761 31.102 30.300 0.069 0.000 1.053 316 R HN 0.757 nan 8.270 nan 0.000 0.479 317 H N 2.285 121.390 119.070 0.058 0.000 3.043 317 H HA 0.023 4.579 4.556 0.000 0.000 0.317 317 H C 0.013 175.398 175.328 0.095 0.000 1.321 317 H CA -0.440 55.663 56.048 0.092 0.000 1.243 317 H CB 1.010 30.799 29.762 0.045 0.000 1.924 317 H HN 0.943 nan 8.280 nan 0.000 0.527 318 H N 1.579 120.588 119.070 -0.101 0.000 2.502 318 H HA 0.152 4.709 4.556 0.000 0.000 0.283 318 H C -0.200 175.226 175.328 0.163 0.000 1.015 318 H CA 0.252 56.308 56.048 0.013 0.000 1.298 318 H CB 0.886 30.605 29.762 -0.072 0.000 1.411 318 H HN 0.437 nan 8.280 nan 0.000 0.556 319 Q N 0.096 119.881 119.800 -0.026 0.000 2.699 319 Q HA 0.517 4.858 4.340 0.000 0.000 0.240 319 Q C -0.713 175.303 176.000 0.026 0.000 1.033 319 Q CA -0.913 54.876 55.803 -0.022 0.000 0.938 319 Q CB 2.215 30.861 28.738 -0.154 0.000 1.312 319 Q HN 0.146 nan 8.270 nan 0.000 0.507 320 T N -0.235 114.311 114.554 -0.013 0.000 2.956 320 T HA 0.433 4.784 4.350 0.000 0.000 0.312 320 T C -1.514 173.207 174.700 0.034 0.000 1.151 320 T CA -0.409 61.683 62.100 -0.014 0.000 1.024 320 T CB 1.489 70.369 68.868 0.021 0.000 1.140 320 T HN 0.429 nan 8.240 nan 0.000 0.473 321 S N 1.988 117.708 115.700 0.035 0.000 2.472 321 S HA 0.821 5.292 4.470 0.000 0.000 0.303 321 S C -0.270 174.439 174.600 0.183 0.000 1.099 321 S CA -0.653 57.620 58.200 0.121 0.000 1.077 321 S CB 1.387 64.645 63.200 0.097 0.000 1.031 321 S HN 0.890 nan 8.310 nan 0.000 0.487 322 V N 0.508 120.521 119.914 0.165 0.000 3.102 322 V HA 0.947 5.067 4.120 0.000 0.000 0.312 322 V C -0.879 175.212 176.094 -0.004 0.000 1.135 322 V CA -0.787 61.497 62.300 -0.028 0.000 1.022 322 V CB 1.812 33.560 31.823 -0.124 0.000 1.056 322 V HN 0.592 nan 8.190 nan 0.000 0.436 323 V N 2.513 122.281 119.914 -0.243 0.000 2.577 323 V HA 0.635 4.756 4.120 0.000 0.000 0.303 323 V C -1.529 174.379 176.094 -0.310 0.000 1.042 323 V CA -0.412 61.768 62.300 -0.200 0.000 0.872 323 V CB 1.791 33.528 31.823 -0.143 0.000 0.998 323 V HN 0.881 nan 8.190 nan 0.000 0.423 324 Y N 4.089 124.285 120.300 -0.172 0.000 2.320 324 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 324 Y C 0.641 176.476 175.900 -0.109 0.000 1.055 324 Y CA -0.281 57.652 58.100 -0.279 0.000 1.143 324 Y CB 1.296 39.463 38.460 -0.489 0.000 1.193 324 Y HN 0.570 nan 8.280 nan 0.000 0.477 325 E N 3.107 123.293 120.200 -0.022 0.000 2.134 325 E HA 0.256 4.606 4.350 0.000 0.000 0.278 325 E C -1.597 174.924 176.600 -0.133 0.000 0.959 325 E CA -0.694 55.699 56.400 -0.012 0.000 0.783 325 E CB 0.975 30.694 29.700 0.031 0.000 1.095 325 E HN 0.500 nan 8.360 nan 0.000 0.399 326 Y N 3.756 124.020 120.300 -0.060 0.000 2.331 326 Y HA 0.237 4.788 4.550 0.000 0.000 0.338 326 Y C -1.978 173.861 175.900 -0.101 0.000 0.976 326 Y CA -2.888 55.191 58.100 -0.034 0.000 1.137 326 Y CB 0.955 39.410 38.460 -0.008 0.000 1.172 326 Y HN 0.387 nan 8.280 nan 0.000 0.478 327 P HA 0.070 nan 4.420 nan 0.000 0.266 327 P C -0.497 176.804 177.300 0.002 0.000 1.195 327 P CA 0.108 63.171 63.100 -0.062 0.000 0.768 327 P CB 0.903 32.526 31.700 -0.128 0.000 0.838 328 R N 1.625 122.125 120.500 0.001 0.000 2.604 328 R HA 0.452 4.792 4.340 0.000 0.000 0.281 328 R C 0.796 177.118 176.300 0.036 0.000 1.020 328 R CA -0.761 55.355 56.100 0.026 0.000 0.899 328 R CB 2.052 32.372 30.300 0.034 0.000 1.205 328 R HN 0.435 nan 8.270 nan 0.000 0.450 329 A N 1.893 124.738 122.820 0.041 0.000 1.898 329 A HA -0.014 4.307 4.320 0.000 0.000 0.214 329 A C 0.354 177.975 177.584 0.062 0.000 1.183 329 A CA 1.220 53.292 52.037 0.059 0.000 0.622 329 A CB 0.085 19.120 19.000 0.058 0.000 0.824 329 A HN 0.539 nan 8.150 nan 0.000 0.444 330 E N -1.838 118.389 120.200 0.044 0.000 2.214 330 E HA 0.578 4.929 4.350 0.000 0.000 0.274 330 E C 0.243 176.855 176.600 0.021 0.000 0.977 330 E CA 0.730 57.151 56.400 0.034 0.000 0.827 330 E CB 1.580 31.295 29.700 0.026 0.000 1.130 330 E HN 0.704 nan 8.360 nan 0.000 0.394 331 G N 1.993 110.793 108.800 0.001 0.000 2.325 331 G HA2 -0.047 3.913 3.960 0.000 0.000 0.285 331 G HA3 -0.047 3.913 3.960 0.000 0.000 0.285 331 G C -1.384 173.451 174.900 -0.108 0.000 1.303 331 G CA -1.032 44.055 45.100 -0.023 0.000 0.970 331 G HN 0.471 nan 8.290 nan 0.000 0.490 332 D N 2.534 122.824 120.400 -0.184 0.000 2.488 332 D HA 0.380 5.021 4.640 0.000 0.000 0.238 332 D C -1.774 174.118 176.300 -0.679 0.000 1.138 332 D CA -0.041 53.727 54.000 -0.386 0.000 0.873 332 D CB 0.983 41.545 40.800 -0.398 0.000 1.183 332 D HN 0.234 nan 8.370 nan 0.000 0.458 333 P HA 0.059 nan 4.420 nan 0.000 0.276 333 P C -0.400 176.594 177.300 -0.510 0.000 1.253 333 P CA 0.208 63.021 63.100 -0.478 0.000 0.766 333 P CB 0.304 31.577 31.700 -0.712 0.000 0.845 334 Y N 1.646 121.919 120.300 -0.044 0.000 2.609 334 Y HA 0.182 4.733 4.550 0.000 0.000 0.281 334 Y C 0.515 176.188 175.900 -0.377 0.000 1.132 334 Y CA -0.119 57.844 58.100 -0.228 0.000 1.264 334 Y CB 0.292 38.581 38.460 -0.285 0.000 1.325 334 Y HN 0.183 nan 8.280 nan 0.000 0.514 335 Y N 1.300 121.677 120.300 0.128 0.000 2.341 335 Y HA 0.427 4.977 4.550 0.000 0.000 0.338 335 Y C -2.651 173.283 175.900 0.058 0.000 0.965 335 Y CA -3.582 54.492 58.100 -0.044 0.000 1.108 335 Y CB 0.861 39.184 38.460 -0.228 0.000 1.180 335 Y HN -0.183 nan 8.280 nan 0.000 0.458 336 P HA 0.063 nan 4.420 nan 0.000 0.271 336 P C -0.684 176.584 177.300 -0.053 0.000 1.218 336 P CA -0.234 62.590 63.100 -0.461 0.000 0.780 336 P CB 0.829 31.878 31.700 -1.085 0.000 0.901 337 V N 4.880 124.807 119.914 0.022 0.000 2.270 337 V HA 0.208 4.328 4.120 0.000 0.000 0.263 337 V C -2.116 174.020 176.094 0.071 0.000 1.066 337 V CA -1.684 60.724 62.300 0.179 0.000 0.857 337 V CB 0.499 32.474 31.823 0.252 0.000 1.099 337 V HN 0.491 nan 8.190 nan 0.000 0.476 338 P HA 0.301 nan 4.420 nan 0.000 0.273 338 P C -0.329 176.963 177.300 -0.014 0.000 1.319 338 P CA 0.014 63.120 63.100 0.010 0.000 0.885 338 P CB 0.094 31.798 31.700 0.006 0.000 1.015 339 R N 2.792 123.317 120.500 0.043 0.000 2.579 339 R HA 0.376 4.716 4.340 0.000 0.000 0.260 339 R C -2.808 173.524 176.300 0.053 0.000 1.103 339 R CA -1.821 54.295 56.100 0.025 0.000 0.942 339 R CB 0.313 30.618 30.300 0.008 0.000 1.251 339 R HN -0.052 nan 8.270 nan 0.000 0.450 340 P HA -0.395 nan 4.420 nan 0.000 0.229 340 P C 0.864 178.193 177.300 0.048 0.000 1.073 340 P CA 2.546 65.669 63.100 0.039 0.000 1.022 340 P CB -0.010 31.704 31.700 0.023 0.000 0.752 341 E N -1.871 118.356 120.200 0.046 0.000 2.265 341 E HA -0.184 4.166 4.350 0.000 0.000 0.196 341 E C 1.384 178.019 176.600 0.058 0.000 0.996 341 E CA 1.194 57.620 56.400 0.044 0.000 0.832 341 E CB -0.923 28.803 29.700 0.043 0.000 0.756 341 E HN 0.350 nan 8.360 nan 0.000 0.491 342 N N 1.328 120.079 118.700 0.086 0.000 2.336 342 N HA 0.069 4.809 4.740 0.000 0.000 0.177 342 N C 1.857 177.438 175.510 0.119 0.000 1.018 342 N CA 1.352 54.466 53.050 0.107 0.000 0.878 342 N CB -0.274 38.327 38.487 0.189 0.000 0.997 342 N HN 0.275 nan 8.380 nan 0.000 0.433 343 A N 1.163 124.073 122.820 0.150 0.000 1.940 343 A HA -0.185 4.136 4.320 0.000 0.000 0.219 343 A C 2.135 179.797 177.584 0.129 0.000 1.176 343 A CA 1.561 53.704 52.037 0.177 0.000 0.631 343 A CB -0.493 18.590 19.000 0.139 0.000 0.814 343 A HN 0.371 nan 8.150 nan 0.000 0.446 344 E N -0.524 119.715 120.200 0.066 0.000 2.047 344 E HA -0.112 4.239 4.350 0.000 0.000 0.191 344 E C 1.992 178.582 176.600 -0.016 0.000 0.987 344 E CA 0.846 57.254 56.400 0.012 0.000 0.799 344 E CB -0.184 29.515 29.700 -0.003 0.000 0.752 344 E HN 0.591 nan 8.360 nan 0.000 0.449 345 L N 0.303 121.533 121.223 0.013 0.000 2.046 345 L HA -0.215 4.125 4.340 0.000 0.000 0.208 345 L C 2.460 179.380 176.870 0.084 0.000 1.077 345 L CA 1.556 56.411 54.840 0.025 0.000 0.747 345 L CB -0.342 41.768 42.059 0.084 0.000 0.896 345 L HN 0.337 nan 8.230 nan 0.000 0.432 346 Y N 0.913 121.185 120.300 -0.046 0.000 2.181 346 Y HA -0.320 4.230 4.550 0.000 0.000 0.288 346 Y C 2.514 178.444 175.900 0.049 0.000 1.146 346 Y CA 1.924 60.008 58.100 -0.026 0.000 1.164 346 Y CB -0.235 38.111 38.460 -0.191 0.000 0.982 346 Y HN 0.015 nan 8.280 nan 0.000 0.515 347 K N 0.711 121.007 120.400 -0.172 0.000 2.107 347 K HA -0.241 4.079 4.320 0.000 0.000 0.211 347 K C 1.995 178.416 176.600 -0.298 0.000 1.049 347 K CA 2.280 58.424 56.287 -0.238 0.000 0.927 347 K CB -0.129 32.315 32.500 -0.094 0.000 0.714 347 K HN 0.383 nan 8.250 nan 0.000 0.452 348 K N -1.209 119.032 120.400 -0.264 0.000 2.001 348 K HA -0.138 4.182 4.320 0.000 0.000 0.208 348 K C 2.215 178.695 176.600 -0.200 0.000 1.048 348 K CA 1.768 57.858 56.287 -0.328 0.000 0.932 348 K CB -0.336 31.812 32.500 -0.588 0.000 0.715 348 K HN 0.205 nan 8.250 nan 0.000 0.437 349 Y N 1.679 121.941 120.300 -0.064 0.000 2.333 349 Y HA -0.211 4.339 4.550 0.000 0.000 0.290 349 Y C 2.531 178.275 175.900 -0.260 0.000 1.144 349 Y CA 1.192 59.263 58.100 -0.048 0.000 1.228 349 Y CB -0.031 38.484 38.460 0.091 0.000 0.985 349 Y HN 0.255 nan 8.280 nan 0.000 0.542 350 E N 0.235 120.219 120.200 -0.360 0.000 2.072 350 E HA -0.221 4.129 4.350 0.000 0.000 0.191 350 E C 2.374 178.824 176.600 -0.251 0.000 0.985 350 E CA 0.933 57.085 56.400 -0.412 0.000 0.801 350 E CB -0.167 29.161 29.700 -0.619 0.000 0.750 350 E HN 0.416 nan 8.360 nan 0.000 0.452 351 A N 1.215 123.900 122.820 -0.226 0.000 1.940 351 A HA -0.175 4.146 4.320 0.000 0.000 0.219 351 A C 2.208 179.676 177.584 -0.193 0.000 1.176 351 A CA 1.161 53.094 52.037 -0.173 0.000 0.631 351 A CB -0.675 18.230 19.000 -0.158 0.000 0.814 351 A HN 0.317 nan 8.150 nan 0.000 0.446 352 L N -0.917 120.133 121.223 -0.288 0.000 1.994 352 L HA -0.227 4.113 4.340 0.000 0.000 0.208 352 L C 3.154 179.841 176.870 -0.306 0.000 1.071 352 L CA 1.225 55.779 54.840 -0.475 0.000 0.745 352 L CB -0.619 40.769 42.059 -1.118 0.000 0.892 352 L HN 0.453 nan 8.230 nan 0.000 0.431 353 A N -0.253 122.406 122.820 -0.269 0.000 1.940 353 A HA -0.256 4.064 4.320 0.000 0.000 0.219 353 A C 1.880 179.310 177.584 -0.258 0.000 1.176 353 A CA 2.131 53.889 52.037 -0.466 0.000 0.631 353 A CB -0.565 17.843 19.000 -0.987 0.000 0.814 353 A HN 0.378 nan 8.150 nan 0.000 0.446 354 D N -0.083 120.223 120.400 -0.157 0.000 2.117 354 D HA -0.030 4.611 4.640 0.000 0.000 0.197 354 D C 2.176 178.476 176.300 -0.000 0.000 0.987 354 D CA 1.580 55.548 54.000 -0.053 0.000 0.829 354 D CB -0.364 40.405 40.800 -0.052 0.000 0.961 354 D HN 0.433 nan 8.370 nan 0.000 0.460 355 A N 0.604 123.415 122.820 -0.015 0.000 2.014 355 A HA 0.260 4.580 4.320 0.000 0.000 0.218 355 A C 1.393 179.026 177.584 0.080 0.000 1.163 355 A CA 0.830 52.879 52.037 0.019 0.000 0.652 355 A CB -0.437 18.555 19.000 -0.013 0.000 0.808 355 A HN 0.213 nan 8.150 nan 0.000 0.449 356 A N 0.021 122.921 122.820 0.133 0.000 2.477 356 A HA 0.463 4.783 4.320 0.000 0.000 0.246 356 A C -0.042 177.667 177.584 0.209 0.000 1.078 356 A CA 0.097 52.274 52.037 0.233 0.000 0.770 356 A CB -0.035 19.213 19.000 0.415 0.000 1.011 356 A HN 0.576 nan 8.150 nan 0.000 0.494 357 Q N 0.828 120.740 119.800 0.187 0.000 2.353 357 Q HA 0.494 4.834 4.340 0.000 0.000 0.268 357 Q C -0.764 175.334 176.000 0.165 0.000 1.045 357 Q CA -0.564 55.344 55.803 0.176 0.000 0.811 357 Q CB 1.916 30.734 28.738 0.134 0.000 1.305 357 Q HN 0.753 nan 8.270 nan 0.000 0.447 358 D N -0.374 120.157 120.400 0.219 0.000 2.954 358 D HA -0.116 4.524 4.640 0.000 0.000 0.200 358 D C -0.990 175.060 176.300 -0.416 0.000 1.022 358 D CA 0.657 54.701 54.000 0.073 0.000 1.003 358 D CB -1.069 39.786 40.800 0.092 0.000 1.073 358 D HN 0.261 nan 8.370 nan 0.000 0.438 359 V N 0.808 120.641 119.914 -0.134 0.000 2.531 359 V HA 0.560 4.681 4.120 0.000 0.000 0.301 359 V C 0.318 176.480 176.094 0.112 0.000 1.034 359 V CA -0.506 61.710 62.300 -0.140 0.000 0.865 359 V CB 2.273 34.112 31.823 0.027 0.000 0.995 359 V HN -0.036 nan 8.190 nan 0.000 0.424 360 T N 5.137 119.739 114.554 0.079 0.000 2.779 360 T HA 0.679 5.029 4.350 0.000 0.000 0.280 360 T C -0.722 174.054 174.700 0.127 0.000 0.987 360 T CA -0.131 62.130 62.100 0.268 0.000 0.966 360 T CB 0.723 69.795 68.868 0.339 0.000 0.933 360 T HN 0.293 nan 8.240 nan 0.000 0.442 361 F N 2.501 122.482 119.950 0.051 0.000 2.420 361 F HA 0.694 5.221 4.527 0.000 0.000 0.342 361 F C 0.264 176.115 175.800 0.085 0.000 1.113 361 F CA -0.960 57.072 58.000 0.054 0.000 1.059 361 F CB 1.516 40.559 39.000 0.072 0.000 1.128 361 F HN 0.272 nan 8.300 nan 0.000 0.475 362 V N 2.522 122.538 119.914 0.171 0.000 2.950 362 V HA 0.888 5.008 4.120 0.000 0.000 0.295 362 V C -0.654 175.492 176.094 0.087 0.000 1.297 362 V CA 0.310 62.697 62.300 0.144 0.000 0.962 362 V CB 1.380 33.277 31.823 0.125 0.000 1.081 362 V HN 1.287 nan 8.190 nan 0.000 0.432 363 G N 4.936 113.813 108.800 0.127 0.000 2.357 363 G HA2 0.009 3.969 3.960 0.000 0.000 0.643 363 G HA3 0.009 3.969 3.960 0.000 0.000 0.643 363 G C 0.023 174.981 174.900 0.096 0.000 1.358 363 G CA 0.093 45.260 45.100 0.112 0.000 0.986 363 G HN 1.318 nan 8.290 nan 0.000 0.620 364 R N -0.498 120.062 120.500 0.101 0.000 2.105 364 R HA 0.013 4.353 4.340 0.000 0.000 0.239 364 R C 2.071 178.407 176.300 0.059 0.000 1.135 364 R CA 2.099 58.235 56.100 0.060 0.000 0.967 364 R CB -0.294 30.065 30.300 0.098 0.000 0.861 364 R HN 0.528 nan 8.270 nan 0.000 0.442 365 L N -0.683 120.576 121.223 0.060 0.000 2.168 365 L HA 0.139 4.479 4.340 0.000 0.000 0.203 365 L C 2.591 179.582 176.870 0.202 0.000 1.078 365 L CA 0.719 55.623 54.840 0.106 0.000 0.780 365 L CB -0.392 41.628 42.059 -0.065 0.000 0.939 365 L HN 0.202 nan 8.230 nan 0.000 0.451 366 A N 0.016 122.920 122.820 0.140 0.000 2.067 366 A HA -0.142 4.179 4.320 0.000 0.000 0.219 366 A C 2.033 179.843 177.584 0.377 0.000 1.158 366 A CA 2.010 54.219 52.037 0.287 0.000 0.661 366 A CB -0.622 18.493 19.000 0.191 0.000 0.801 366 A HN 0.499 nan 8.150 nan 0.000 0.452 367 T N -7.875 106.810 114.554 0.218 0.000 3.091 367 T HA 0.220 4.570 4.350 0.000 0.000 0.277 367 T C 0.264 174.830 174.700 -0.223 0.000 0.996 367 T CA 0.204 62.381 62.100 0.129 0.000 0.897 367 T CB -0.364 68.576 68.868 0.120 0.000 1.109 367 T HN 0.666 nan 8.240 nan 0.000 0.534 368 Y N 2.074 122.215 120.300 -0.265 0.000 3.168 368 Y HA -0.257 4.293 4.550 0.000 0.000 0.207 368 Y C -0.195 175.509 175.900 -0.326 0.000 1.280 368 Y CA 0.062 57.955 58.100 -0.346 0.000 1.235 368 Y CB -1.731 36.285 38.460 -0.740 0.000 1.370 368 Y HN 0.466 nan 8.280 nan 0.000 0.537 369 R N 0.390 120.711 120.500 -0.298 0.000 2.711 369 R HA 0.330 4.670 4.340 0.000 0.000 0.284 369 R C -0.805 175.388 176.300 -0.178 0.000 0.968 369 R CA -1.114 54.765 56.100 -0.369 0.000 0.924 369 R CB 0.977 30.788 30.300 -0.815 0.000 1.162 369 R HN 0.135 nan 8.270 nan 0.000 0.465 370 Y N 3.433 123.649 120.300 -0.140 0.000 2.623 370 Y HA 0.149 4.699 4.550 0.000 0.000 0.341 370 Y C -1.061 174.980 175.900 0.235 0.000 1.292 370 Y CA -0.729 57.420 58.100 0.082 0.000 1.840 370 Y CB -0.368 38.186 38.460 0.156 0.000 1.865 370 Y HN 0.356 nan 8.280 nan 0.000 0.440 371 Y N 1.983 122.449 120.300 0.278 0.000 2.323 371 Y HA 0.254 4.804 4.550 0.000 0.000 0.331 371 Y C 0.615 176.595 175.900 0.133 0.000 1.092 371 Y CA -1.548 56.647 58.100 0.158 0.000 1.150 371 Y CB 0.617 39.131 38.460 0.090 0.000 1.200 371 Y HN 0.350 nan 8.280 nan 0.000 0.472 372 N N 2.851 121.652 118.700 0.168 0.000 2.399 372 N HA 0.121 4.861 4.740 0.000 0.000 0.250 372 N C 1.285 176.711 175.510 -0.139 0.000 1.272 372 N CA -0.098 52.946 53.050 -0.009 0.000 0.928 372 N CB 0.607 38.995 38.487 -0.165 0.000 1.158 372 N HN 0.658 nan 8.380 nan 0.000 0.463 373 M N 0.283 119.746 119.600 -0.228 0.000 2.080 373 M HA -0.209 4.272 4.480 0.000 0.000 0.260 373 M C 1.492 177.536 176.300 -0.427 0.000 1.068 373 M CA 1.575 56.636 55.300 -0.399 0.000 1.109 373 M CB -0.341 32.004 32.600 -0.424 0.000 1.342 373 M HN 0.584 nan 8.290 nan 0.000 0.405 374 D N -0.059 120.080 120.400 -0.435 0.000 2.178 374 D HA -0.211 4.430 4.640 0.000 0.000 0.201 374 D C 1.674 177.831 176.300 -0.238 0.000 0.980 374 D CA 1.404 55.235 54.000 -0.282 0.000 0.842 374 D CB -0.570 39.941 40.800 -0.482 0.000 0.948 374 D HN 0.508 nan 8.370 nan 0.000 0.472 375 Q N 0.315 119.917 119.800 -0.331 0.000 2.050 375 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 375 Q C 2.663 178.461 176.000 -0.336 0.000 0.980 375 Q CA 1.224 56.761 55.803 -0.444 0.000 0.840 375 Q CB 0.043 28.314 28.738 -0.779 0.000 0.898 375 Q HN 0.192 nan 8.270 nan 0.000 0.424 376 V N 0.231 120.047 119.914 -0.163 0.000 2.407 376 V HA -0.213 3.908 4.120 0.000 0.000 0.248 376 V C 2.174 178.293 176.094 0.043 0.000 1.055 376 V CA 1.273 63.600 62.300 0.047 0.000 1.049 376 V CB -0.358 31.547 31.823 0.137 0.000 0.662 376 V HN 0.193 nan 8.190 nan 0.000 0.455 377 V N 0.303 120.213 119.914 -0.007 0.000 2.358 377 V HA -0.227 3.893 4.120 0.000 0.000 0.246 377 V C 2.697 178.786 176.094 -0.009 0.000 1.047 377 V CA 1.942 64.276 62.300 0.056 0.000 1.035 377 V CB -1.048 30.847 31.823 0.119 0.000 0.658 377 V HN 0.558 nan 8.190 nan 0.000 0.452 378 A N -0.973 121.823 122.820 -0.040 0.000 1.933 378 A HA -0.298 4.022 4.320 0.000 0.000 0.218 378 A C 2.251 179.826 177.584 -0.015 0.000 1.175 378 A CA 2.060 54.070 52.037 -0.046 0.000 0.628 378 A CB -0.527 18.432 19.000 -0.069 0.000 0.814 378 A HN 0.585 nan 8.150 nan 0.000 0.444 379 Q N -0.655 119.147 119.800 0.004 0.000 2.084 379 Q HA -0.148 4.193 4.340 0.000 0.000 0.202 379 Q C 2.267 178.317 176.000 0.083 0.000 0.978 379 Q CA 1.529 57.378 55.803 0.077 0.000 0.844 379 Q CB -0.308 28.529 28.738 0.166 0.000 0.898 379 Q HN 0.627 nan 8.270 nan 0.000 0.426 380 A N 0.682 123.543 122.820 0.069 0.000 1.902 380 A HA -0.149 4.171 4.320 0.000 0.000 0.217 380 A C 2.033 179.642 177.584 0.042 0.000 1.181 380 A CA 1.030 53.104 52.037 0.063 0.000 0.623 380 A CB -0.690 18.345 19.000 0.059 0.000 0.818 380 A HN 0.438 nan 8.150 nan 0.000 0.443 381 L N -0.941 120.270 121.223 -0.019 0.000 2.131 381 L HA -0.191 4.149 4.340 0.000 0.000 0.210 381 L C 2.999 179.911 176.870 0.070 0.000 1.092 381 L CA 0.944 55.764 54.840 -0.033 0.000 0.759 381 L CB -0.407 41.567 42.059 -0.142 0.000 0.903 381 L HN 0.476 nan 8.230 nan 0.000 0.435 382 A N -0.805 122.049 122.820 0.057 0.000 1.930 382 A HA -0.128 4.192 4.320 0.000 0.000 0.215 382 A C 2.315 179.946 177.584 0.077 0.000 1.176 382 A CA 1.790 53.865 52.037 0.063 0.000 0.632 382 A CB -0.643 18.391 19.000 0.056 0.000 0.819 382 A HN 0.318 nan 8.150 nan 0.000 0.445 383 T N -0.529 114.086 114.554 0.102 0.000 2.746 383 T HA -0.141 4.209 4.350 0.000 0.000 0.267 383 T C 1.589 176.356 174.700 0.112 0.000 1.039 383 T CA 1.645 63.811 62.100 0.111 0.000 1.142 383 T CB -0.390 68.556 68.868 0.129 0.000 0.866 383 T HN 0.509 nan 8.240 nan 0.000 0.444 384 F N 1.990 121.934 119.950 -0.010 0.000 2.234 384 F HA 0.025 4.552 4.527 0.000 0.000 0.299 384 F C 2.331 178.124 175.800 -0.011 0.000 1.087 384 F CA 0.910 58.893 58.000 -0.029 0.000 1.340 384 F CB -0.202 38.766 39.000 -0.053 0.000 1.031 384 F HN -0.078 nan 8.300 nan 0.000 0.500 385 R N 0.119 120.551 120.500 -0.113 0.000 2.080 385 R HA -0.150 4.190 4.340 0.000 0.000 0.236 385 R C 2.506 178.699 176.300 -0.178 0.000 1.137 385 R CA 1.879 57.868 56.100 -0.184 0.000 0.943 385 R CB -0.356 29.922 30.300 -0.036 0.000 0.846 385 R HN 0.238 nan 8.270 nan 0.000 0.431 386 R N 0.128 120.580 120.500 -0.080 0.000 2.097 386 R HA -0.168 4.172 4.340 0.000 0.000 0.236 386 R C 2.086 178.338 176.300 -0.080 0.000 1.135 386 R CA 1.403 57.474 56.100 -0.048 0.000 0.934 386 R CB -0.567 29.739 30.300 0.011 0.000 0.846 386 R HN 0.109 nan 8.270 nan 0.000 0.431 387 L N 1.180 122.350 121.223 -0.088 0.000 2.351 387 L HA -0.162 4.178 4.340 0.000 0.000 0.220 387 L C 1.104 177.884 176.870 -0.150 0.000 1.127 387 L CA 1.568 56.358 54.840 -0.084 0.000 0.786 387 L CB -0.920 41.124 42.059 -0.024 0.000 0.914 387 L HN 0.182 nan 8.230 nan 0.000 0.443 388 Q N 0.000 119.642 119.800 -0.264 0.000 2.315 388 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 388 Q CA 0.000 55.650 55.803 -0.256 0.000 1.022 388 Q CB 0.000 28.478 28.738 -0.433 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481