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 3mj4_1_J DATA FIRST_RESID 27 DATA SEQUENCE SKGFDYLIVG AGFAGSVLAE RLASSGQRVL IVDRRPHIGG NAYDCYDDAG DATA SEQUENCE VLIHPYGPHI FHTNSKDVFE YLSRFTEWRP YQHRVLASVD GQLLPIPINL DATA SEQUENCE DTVNRLYGLN LTSFQVEEFF ASVAEKVEQV RTSEDVVVSK VGRDLYNKFF DATA SEQUENCE RGYTRKQWGL DPSELDASVT ARVPTRTNRD NRYFADTYQA MPLHGYTRMF DATA SEQUENCE QNMLSSPNIK VMLNTDYREI ADFIPFQHMI YTGPVDAFFD FCYGKLPYRS DATA SEQUENCE LEFRHETHDT EQLLPTGTVN YPNDYAYTRV SEFKHITGQR HHQTSVVYEY DATA SEQUENCE PRAEGDPYYP VPRPENAELY KKYEALADAA QDVTFVGRLA TYRYYNMDQV DATA SEQUENCE VAQALATFRR LQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.582 174.600 -0.030 0.000 1.055 27 S CA 0.000 58.189 58.200 -0.019 0.000 1.107 27 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 28 K N -0.635 119.745 120.400 -0.032 0.000 1.200 28 K HA -0.112 4.208 4.320 0.000 0.000 0.773 28 K C 0.686 177.233 176.600 -0.088 0.000 2.023 28 K CA 1.192 57.456 56.287 -0.039 0.000 1.213 28 K CB -1.770 30.716 32.500 -0.025 0.000 2.254 28 K HN 0.508 nan 8.250 nan 0.000 0.392 29 G N -0.572 108.164 108.800 -0.106 0.000 2.534 29 G HA2 0.496 4.456 3.960 0.000 0.000 0.220 29 G HA3 0.496 4.456 3.960 0.000 0.000 0.220 29 G C -0.263 174.349 174.900 -0.480 0.000 1.699 29 G CA 0.021 44.937 45.100 -0.306 0.000 0.769 29 G HN 0.196 nan 8.290 nan 0.000 0.632 30 F N 0.942 120.953 119.950 0.101 0.000 2.508 30 F HA 0.427 4.954 4.527 0.000 0.000 0.325 30 F C 0.756 176.627 175.800 0.119 0.000 1.090 30 F CA -0.932 57.139 58.000 0.118 0.000 0.945 30 F CB 2.292 41.370 39.000 0.129 0.000 1.156 30 F HN 0.088 nan 8.300 nan 0.000 0.463 31 D N 0.903 121.489 120.400 0.310 0.000 2.091 31 D HA -0.110 4.530 4.640 0.000 0.000 0.199 31 D C -0.316 175.998 176.300 0.023 0.000 0.980 31 D CA 1.817 55.894 54.000 0.128 0.000 0.831 31 D CB 0.023 40.931 40.800 0.179 0.000 0.987 31 D HN 0.353 nan 8.370 nan 0.000 0.460 32 Y N -0.219 120.238 120.300 0.262 0.000 2.409 32 Y HA 0.392 4.942 4.550 0.000 0.000 0.343 32 Y C -0.342 175.623 175.900 0.109 0.000 0.973 32 Y CA -1.356 56.878 58.100 0.223 0.000 1.064 32 Y CB 1.992 40.553 38.460 0.168 0.000 1.207 32 Y HN -0.227 nan 8.280 nan 0.000 0.452 33 L N 5.243 126.572 121.223 0.177 0.000 2.276 33 L HA 0.597 4.937 4.340 0.000 0.000 0.286 33 L C -1.303 175.487 176.870 -0.132 0.000 1.024 33 L CA -0.542 54.214 54.840 -0.141 0.000 0.826 33 L CB 0.177 41.904 42.059 -0.555 0.000 1.211 33 L HN 0.520 nan 8.230 nan 0.000 0.422 34 I N 6.112 126.596 120.570 -0.143 0.000 2.312 34 I HA 0.276 4.446 4.170 0.000 0.000 0.290 34 I C -0.400 175.587 176.117 -0.216 0.000 1.008 34 I CA -0.867 60.346 61.300 -0.145 0.000 1.226 34 I CB 1.484 39.415 38.000 -0.116 0.000 1.371 34 I HN 0.289 nan 8.210 nan 0.000 0.468 35 V N 6.045 125.798 119.914 -0.269 0.000 2.353 35 V HA 0.654 4.774 4.120 0.000 0.000 0.264 35 V C 0.653 176.523 176.094 -0.373 0.000 1.049 35 V CA -0.294 61.810 62.300 -0.326 0.000 0.896 35 V CB 0.113 31.675 31.823 -0.434 0.000 1.025 35 V HN 1.080 nan 8.190 nan 0.000 0.475 36 G N 4.075 112.700 108.800 -0.292 0.000 3.233 36 G HA2 0.287 4.247 3.960 0.000 0.000 0.686 36 G HA3 0.287 4.247 3.960 0.000 0.000 0.686 36 G C -0.115 174.638 174.900 -0.245 0.000 1.153 36 G CA -0.299 44.627 45.100 -0.290 0.000 0.853 36 G HN 1.338 nan 8.290 nan 0.000 0.582 37 A N 1.623 124.285 122.820 -0.264 0.000 2.610 37 A HA 0.750 5.070 4.320 0.000 0.000 0.286 37 A C 1.547 178.930 177.584 -0.336 0.000 1.306 37 A CA 1.228 53.109 52.037 -0.260 0.000 0.942 37 A CB -0.231 18.606 19.000 -0.272 0.000 1.112 37 A HN 2.135 nan 8.150 nan 0.000 0.527 38 G N -1.320 107.313 108.800 -0.278 0.000 2.525 38 G HA2 0.327 4.287 3.960 0.000 0.000 0.276 38 G HA3 0.327 4.287 3.960 0.000 0.000 0.276 38 G C 0.629 175.519 174.900 -0.016 0.000 1.388 38 G CA -0.383 44.562 45.100 -0.259 0.000 1.050 38 G HN 0.220 nan 8.290 nan 0.000 0.520 39 F N 0.536 120.599 119.950 0.187 0.000 2.095 39 F HA -0.123 4.404 4.527 0.000 0.000 0.298 39 F C 3.083 178.958 175.800 0.126 0.000 1.104 39 F CA 1.598 59.765 58.000 0.278 0.000 1.232 39 F CB -0.067 39.078 39.000 0.241 0.000 0.987 39 F HN 0.367 nan 8.300 nan 0.000 0.475 40 A N 0.285 123.261 122.820 0.260 0.000 1.873 40 A HA -0.172 4.148 4.320 0.000 0.000 0.218 40 A C 2.474 180.090 177.584 0.054 0.000 1.193 40 A CA 2.063 54.177 52.037 0.128 0.000 0.629 40 A CB -1.664 17.383 19.000 0.079 0.000 0.826 40 A HN 0.430 nan 8.150 nan 0.000 0.447 41 G N -0.991 107.808 108.800 -0.002 0.000 2.433 41 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 41 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 41 G C 1.841 176.718 174.900 -0.038 0.000 1.186 41 G CA 1.337 46.400 45.100 -0.062 0.000 0.779 41 G HN 0.510 nan 8.290 nan 0.000 0.543 42 S N 0.054 115.762 115.700 0.013 0.000 2.383 42 S HA -0.078 4.392 4.470 0.000 0.000 0.227 42 S C 2.472 177.073 174.600 0.001 0.000 1.026 42 S CA 1.026 59.238 58.200 0.020 0.000 0.981 42 S CB -0.174 63.118 63.200 0.153 0.000 0.818 42 S HN 0.170 nan 8.310 nan 0.000 0.472 43 V N 2.022 121.978 119.914 0.071 0.000 2.295 43 V HA -0.133 3.987 4.120 0.000 0.000 0.246 43 V C 2.194 178.249 176.094 -0.065 0.000 1.049 43 V CA 1.496 63.835 62.300 0.064 0.000 1.024 43 V CB -0.646 31.223 31.823 0.076 0.000 0.648 43 V HN 0.400 nan 8.190 nan 0.000 0.447 44 L N -0.081 121.095 121.223 -0.077 0.000 2.083 44 L HA -0.150 4.190 4.340 0.000 0.000 0.209 44 L C 2.677 179.428 176.870 -0.199 0.000 1.083 44 L CA 1.453 56.205 54.840 -0.147 0.000 0.752 44 L CB -0.675 41.338 42.059 -0.076 0.000 0.899 44 L HN 0.364 nan 8.230 nan 0.000 0.433 45 A N -0.618 122.119 122.820 -0.138 0.000 1.902 45 A HA -0.238 4.082 4.320 0.000 0.000 0.217 45 A C 2.325 179.825 177.584 -0.140 0.000 1.181 45 A CA 1.764 53.722 52.037 -0.133 0.000 0.623 45 A CB -0.442 18.497 19.000 -0.102 0.000 0.818 45 A HN 0.398 nan 8.150 nan 0.000 0.443 46 E N 0.012 120.129 120.200 -0.137 0.000 2.028 46 E HA -0.186 4.164 4.350 0.000 0.000 0.191 46 E C 2.246 178.749 176.600 -0.162 0.000 0.988 46 E CA 0.838 57.170 56.400 -0.113 0.000 0.799 46 E CB -0.275 29.361 29.700 -0.107 0.000 0.755 46 E HN 0.393 nan 8.360 nan 0.000 0.447 47 R N 0.306 120.605 120.500 -0.335 0.000 2.094 47 R HA -0.154 4.186 4.340 0.000 0.000 0.239 47 R C 2.476 178.363 176.300 -0.689 0.000 1.137 47 R CA 0.788 56.412 56.100 -0.794 0.000 0.943 47 R CB -1.087 28.185 30.300 -1.714 0.000 0.850 47 R HN 0.226 nan 8.270 nan 0.000 0.433 48 L N 0.609 121.534 121.223 -0.497 0.000 2.012 48 L HA -0.114 4.226 4.340 0.000 0.000 0.210 48 L C 2.514 179.354 176.870 -0.050 0.000 1.073 48 L CA 2.044 56.770 54.840 -0.190 0.000 0.748 48 L CB -1.471 40.388 42.059 -0.333 0.000 0.891 48 L HN 0.185 nan 8.230 nan 0.000 0.431 49 A N -0.977 121.805 122.820 -0.063 0.000 2.019 49 A HA -0.174 4.146 4.320 0.000 0.000 0.219 49 A C 2.390 179.992 177.584 0.030 0.000 1.164 49 A CA 1.884 53.926 52.037 0.008 0.000 0.644 49 A CB -0.605 18.394 19.000 -0.001 0.000 0.805 49 A HN 0.577 nan 8.150 nan 0.000 0.449 50 S N -0.327 115.381 115.700 0.014 0.000 2.458 50 S HA -0.051 4.419 4.470 0.000 0.000 0.223 50 S C 1.782 176.431 174.600 0.082 0.000 1.019 50 S CA 0.931 59.159 58.200 0.045 0.000 0.937 50 S CB -0.542 62.684 63.200 0.042 0.000 0.788 50 S HN 0.857 nan 8.310 nan 0.000 0.511 51 S N 1.033 116.802 115.700 0.115 0.000 2.660 51 S HA 0.392 4.862 4.470 0.000 0.000 0.223 51 S C 1.463 176.143 174.600 0.134 0.000 0.963 51 S CA 0.441 58.741 58.200 0.167 0.000 0.932 51 S CB -0.784 62.591 63.200 0.292 0.000 0.775 51 S HN 1.425 nan 8.310 nan 0.000 0.531 52 G N 0.490 109.355 108.800 0.108 0.000 2.132 52 G HA2 -0.182 3.778 3.960 0.000 0.000 0.234 52 G HA3 -0.182 3.778 3.960 0.000 0.000 0.234 52 G C -0.184 174.793 174.900 0.128 0.000 0.989 52 G CA -0.083 45.079 45.100 0.102 0.000 0.676 52 G HN 0.544 nan 8.290 nan 0.000 0.522 53 Q N -0.322 119.572 119.800 0.156 0.000 2.312 53 Q HA 0.464 4.804 4.340 0.000 0.000 0.236 53 Q C 0.464 176.591 176.000 0.212 0.000 0.965 53 Q CA -0.312 55.626 55.803 0.225 0.000 0.894 53 Q CB 0.724 29.656 28.738 0.323 0.000 1.225 53 Q HN 0.255 nan 8.270 nan 0.000 0.478 54 R N 1.014 121.675 120.500 0.268 0.000 2.198 54 R HA 0.386 4.726 4.340 0.000 0.000 0.339 54 R C -0.882 175.680 176.300 0.436 0.000 1.020 54 R CA -0.455 55.834 56.100 0.315 0.000 0.864 54 R CB 0.502 30.960 30.300 0.263 0.000 1.105 54 R HN 0.277 nan 8.270 nan 0.000 0.463 55 V N 5.286 125.375 119.914 0.292 0.000 2.398 55 V HA 0.278 4.399 4.120 0.000 0.000 0.286 55 V C -0.281 175.707 176.094 -0.177 0.000 1.026 55 V CA -0.936 61.433 62.300 0.116 0.000 0.868 55 V CB 1.761 33.602 31.823 0.029 0.000 0.982 55 V HN 0.441 nan 8.190 nan 0.000 0.443 56 L N 7.140 128.043 121.223 -0.533 0.000 2.272 56 L HA 0.652 4.992 4.340 0.000 0.000 0.289 56 L C -0.620 176.016 176.870 -0.390 0.000 1.032 56 L CA 0.096 54.464 54.840 -0.786 0.000 0.810 56 L CB 1.084 42.316 42.059 -1.378 0.000 1.205 56 L HN 0.654 nan 8.230 nan 0.000 0.422 57 I N 5.445 125.844 120.570 -0.285 0.000 2.404 57 I HA 0.639 4.809 4.170 0.000 0.000 0.293 57 I C -1.399 174.591 176.117 -0.212 0.000 0.992 57 I CA -0.598 60.572 61.300 -0.217 0.000 1.149 57 I CB 1.785 39.685 38.000 -0.167 0.000 1.315 57 I HN 0.510 nan 8.210 nan 0.000 0.446 58 V N 7.338 127.130 119.914 -0.205 0.000 2.789 58 V HA 0.595 4.715 4.120 0.000 0.000 0.311 58 V C -1.418 174.569 176.094 -0.178 0.000 1.073 58 V CA -0.294 61.898 62.300 -0.180 0.000 0.921 58 V CB 2.093 33.819 31.823 -0.163 0.000 1.009 58 V HN 0.813 nan 8.190 nan 0.000 0.426 59 D N 3.537 123.832 120.400 -0.175 0.000 2.857 59 D HA 0.345 4.985 4.640 0.000 0.000 0.227 59 D C 0.737 176.934 176.300 -0.172 0.000 1.192 59 D CA -0.519 53.361 54.000 -0.201 0.000 0.857 59 D CB 2.490 43.124 40.800 -0.276 0.000 1.645 59 D HN 0.696 nan 8.370 nan 0.000 0.482 60 R N 2.032 122.442 120.500 -0.151 0.000 2.115 60 R HA 0.033 4.373 4.340 0.000 0.000 0.230 60 R C 0.638 176.842 176.300 -0.160 0.000 1.111 60 R CA 0.430 56.459 56.100 -0.118 0.000 0.976 60 R CB -0.052 30.201 30.300 -0.078 0.000 0.870 60 R HN 0.133 nan 8.270 nan 0.000 0.445 61 R N 1.847 122.193 120.500 -0.257 0.000 2.641 61 R HA 0.093 4.433 4.340 0.000 0.000 0.269 61 R C -1.772 174.309 176.300 -0.364 0.000 1.074 61 R CA -1.516 54.365 56.100 -0.364 0.000 1.133 61 R CB 0.352 30.250 30.300 -0.670 0.000 1.029 61 R HN 0.125 nan 8.270 nan 0.000 0.488 62 P HA 0.014 nan 4.420 nan 0.000 0.255 62 P C -1.250 175.939 177.300 -0.186 0.000 1.427 62 P CA 0.437 63.430 63.100 -0.179 0.000 0.863 62 P CB 0.014 31.666 31.700 -0.079 0.000 1.444 63 H N -1.422 117.465 119.070 -0.304 0.000 3.016 63 H HA 0.576 5.132 4.556 0.000 0.000 0.362 63 H C 0.020 175.108 175.328 -0.399 0.000 1.233 63 H CA -1.404 54.389 56.048 -0.425 0.000 1.124 63 H CB 0.275 29.496 29.762 -0.901 0.000 1.850 63 H HN -0.153 nan 8.280 nan 0.000 0.549 64 I N -1.159 119.322 120.570 -0.149 0.000 3.021 64 I HA 0.662 4.832 4.170 0.000 0.000 0.303 64 I C 1.202 177.128 176.117 -0.318 0.000 1.044 64 I CA -0.047 61.113 61.300 -0.233 0.000 1.266 64 I CB 0.894 38.789 38.000 -0.174 0.000 1.447 64 I HN 1.117 nan 8.210 nan 0.000 0.593 65 G N 1.208 109.528 108.800 -0.800 0.000 2.195 65 G HA2 0.006 3.966 3.960 0.000 0.000 0.246 65 G HA3 0.006 3.966 3.960 0.000 0.000 0.246 65 G C 0.933 175.307 174.900 -0.876 0.000 0.984 65 G CA 0.129 44.286 45.100 -1.572 0.000 0.633 65 G HN 2.160 nan 8.290 nan 0.000 0.525 66 G N 0.722 109.230 108.800 -0.487 0.000 2.582 66 G HA2 -0.345 3.615 3.960 0.000 0.000 0.288 66 G HA3 -0.345 3.615 3.960 0.000 0.000 0.288 66 G C 0.871 175.547 174.900 -0.373 0.000 1.247 66 G CA 0.937 45.807 45.100 -0.383 0.000 0.972 66 G HN 1.169 nan 8.290 nan 0.000 0.557 67 N N 0.784 119.266 118.700 -0.363 0.000 2.258 67 N HA 0.013 4.753 4.740 0.000 0.000 0.187 67 N C 2.242 177.483 175.510 -0.448 0.000 1.012 67 N CA 2.107 54.942 53.050 -0.357 0.000 0.870 67 N CB -0.485 37.981 38.487 -0.034 0.000 0.977 67 N HN 1.035 nan 8.380 nan 0.000 0.434 68 A N -0.832 121.681 122.820 -0.513 0.000 2.275 68 A HA 0.022 4.342 4.320 0.000 0.000 0.212 68 A C 0.360 177.612 177.584 -0.552 0.000 1.201 68 A CA -0.434 51.118 52.037 -0.809 0.000 0.843 68 A CB -0.529 18.151 19.000 -0.533 0.000 0.873 68 A HN 0.329 nan 8.150 nan 0.000 0.492 69 Y N 2.611 122.653 120.300 -0.430 0.000 2.712 69 Y HA 0.280 4.830 4.550 0.000 0.000 0.333 69 Y C -0.046 175.675 175.900 -0.299 0.000 1.225 69 Y CA -0.233 57.669 58.100 -0.329 0.000 1.499 69 Y CB 0.345 38.599 38.460 -0.342 0.000 1.288 69 Y HN 0.517 nan 8.280 nan 0.000 0.575 70 D N 4.166 124.061 120.400 -0.841 0.000 2.533 70 D HA 0.625 5.265 4.640 0.000 0.000 0.247 70 D C -1.009 174.652 176.300 -1.065 0.000 1.056 70 D CA -0.467 53.059 54.000 -0.790 0.000 1.054 70 D CB 1.173 41.780 40.800 -0.321 0.000 1.400 70 D HN 0.794 nan 8.370 nan 0.000 0.533 71 C N -2.908 115.966 119.300 -0.711 0.000 3.275 71 C HA 0.625 5.085 4.460 0.000 0.000 0.340 71 C C -1.484 173.265 174.990 -0.402 0.000 1.366 71 C CA -1.203 57.526 59.018 -0.482 0.000 1.227 71 C CB -0.228 27.271 27.740 -0.401 0.000 1.512 71 C HN 0.615 nan 8.230 nan 0.000 0.461 72 Y N 2.358 122.534 120.300 -0.208 0.000 2.336 72 Y HA 0.440 4.990 4.550 0.000 0.000 0.335 72 Y C 1.127 176.931 175.900 -0.159 0.000 1.046 72 Y CA 0.692 58.697 58.100 -0.159 0.000 1.198 72 Y CB 0.759 39.164 38.460 -0.091 0.000 1.182 72 Y HN 0.856 nan 8.280 nan 0.000 0.502 73 D N 0.330 120.688 120.400 -0.070 0.000 2.414 73 D HA -0.027 4.613 4.640 0.000 0.000 0.259 73 D C 0.377 176.662 176.300 -0.024 0.000 1.269 73 D CA -0.273 53.669 54.000 -0.096 0.000 1.028 73 D CB 0.493 41.194 40.800 -0.165 0.000 1.093 73 D HN 0.426 nan 8.370 nan 0.000 0.545 74 D N -0.868 119.510 120.400 -0.037 0.000 2.263 74 D HA -0.059 4.581 4.640 0.000 0.000 0.208 74 D C 1.336 177.646 176.300 0.016 0.000 0.971 74 D CA 1.473 55.468 54.000 -0.009 0.000 0.867 74 D CB -0.312 40.480 40.800 -0.014 0.000 0.929 74 D HN 0.532 nan 8.370 nan 0.000 0.492 75 A N -0.484 122.340 122.820 0.006 0.000 2.345 75 A HA 0.472 4.792 4.320 0.000 0.000 0.225 75 A C 1.601 179.284 177.584 0.164 0.000 1.243 75 A CA 0.645 52.705 52.037 0.039 0.000 0.875 75 A CB -0.134 18.830 19.000 -0.059 0.000 0.929 75 A HN 0.171 nan 8.150 nan 0.000 0.502 76 G N -0.957 107.940 108.800 0.162 0.000 2.176 76 G HA2 -0.175 3.785 3.960 0.000 0.000 0.252 76 G HA3 -0.175 3.785 3.960 0.000 0.000 0.252 76 G C 0.028 175.175 174.900 0.412 0.000 1.024 76 G CA 0.287 45.559 45.100 0.287 0.000 0.755 76 G HN 0.799 nan 8.290 nan 0.000 0.507 77 V N 0.710 120.692 119.914 0.112 0.000 2.472 77 V HA 0.644 4.764 4.120 0.000 0.000 0.290 77 V C 0.562 176.529 176.094 -0.212 0.000 1.037 77 V CA -0.958 61.301 62.300 -0.068 0.000 0.908 77 V CB 1.751 33.399 31.823 -0.291 0.000 0.985 77 V HN 0.454 nan 8.190 nan 0.000 0.454 78 L N 7.481 128.453 121.223 -0.417 0.000 2.313 78 L HA 0.620 4.960 4.340 0.000 0.000 0.282 78 L C -0.353 176.172 176.870 -0.576 0.000 1.092 78 L CA 0.543 54.929 54.840 -0.756 0.000 0.831 78 L CB 0.171 41.722 42.059 -0.846 0.000 1.159 78 L HN 0.651 nan 8.230 nan 0.000 0.442 79 I N 0.656 120.807 120.570 -0.698 0.000 3.174 79 I HA 0.531 4.701 4.170 0.000 0.000 0.313 79 I C -1.034 174.535 176.117 -0.912 0.000 1.155 79 I CA -0.716 59.854 61.300 -1.217 0.000 0.977 79 I CB 2.166 39.519 38.000 -1.078 0.000 1.248 79 I HN 0.563 nan 8.210 nan 0.000 0.453 80 H N 1.987 120.253 119.070 -1.341 0.000 2.661 80 H HA 0.315 4.871 4.556 0.000 0.000 0.290 80 H C -2.109 172.951 175.328 -0.448 0.000 1.082 80 H CA -1.985 53.706 56.048 -0.594 0.000 1.234 80 H CB 1.001 30.662 29.762 -0.169 0.000 1.387 80 H HN 0.436 nan 8.280 nan 0.000 0.476 81 P HA -0.235 nan 4.420 nan 0.000 0.216 81 P C 0.111 177.022 177.300 -0.648 0.000 1.154 81 P CA 1.544 64.325 63.100 -0.531 0.000 0.865 81 P CB 0.051 31.323 31.700 -0.712 0.000 0.789 82 Y N -0.996 119.057 120.300 -0.413 0.000 2.645 82 Y HA 0.495 5.046 4.550 0.000 0.000 0.307 82 Y C 1.328 176.759 175.900 -0.782 0.000 1.151 82 Y CA -0.002 57.642 58.100 -0.760 0.000 1.291 82 Y CB -0.292 38.009 38.460 -0.265 0.000 1.135 82 Y HN -0.053 nan 8.280 nan 0.000 0.523 83 G N 1.135 109.643 108.800 -0.487 0.000 2.650 83 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 83 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 83 G C -3.160 172.040 174.900 0.501 0.000 1.205 83 G CA -1.579 43.585 45.100 0.107 0.000 0.781 83 G HN -0.050 nan 8.290 nan 0.000 0.648 84 P HA 0.216 nan 4.420 nan 0.000 0.266 84 P C -0.668 176.951 177.300 0.533 0.000 1.215 84 P CA 0.446 63.863 63.100 0.529 0.000 0.763 84 P CB 0.334 32.111 31.700 0.128 0.000 0.806 85 H N 3.078 122.496 119.070 0.579 0.000 2.685 85 H HA 0.426 4.982 4.556 0.000 0.000 0.307 85 H C -0.087 175.510 175.328 0.448 0.000 1.017 85 H CA -0.468 55.766 56.048 0.309 0.000 1.237 85 H CB 0.159 29.890 29.762 -0.052 0.000 1.409 85 H HN 0.240 nan 8.280 nan 0.000 0.488 86 I N 3.799 124.615 120.570 0.410 0.000 2.304 86 I HA 0.109 4.279 4.170 0.000 0.000 0.291 86 I C -0.132 176.263 176.117 0.462 0.000 1.018 86 I CA -0.448 61.107 61.300 0.425 0.000 1.260 86 I CB 0.184 38.327 38.000 0.238 0.000 1.390 86 I HN 0.396 nan 8.210 nan 0.000 0.475 87 F N 7.530 127.746 119.950 0.443 0.000 2.412 87 F HA 0.534 5.061 4.527 0.000 0.000 0.348 87 F C 0.148 176.080 175.800 0.220 0.000 1.102 87 F CA 0.154 58.368 58.000 0.357 0.000 1.196 87 F CB 0.255 39.547 39.000 0.486 0.000 1.144 87 F HN 0.699 nan 8.300 nan 0.000 0.541 88 H N 1.242 119.671 119.070 -1.069 0.000 3.140 88 H HA 0.535 5.091 4.556 0.000 0.000 0.336 88 H C -1.439 173.391 175.328 -0.830 0.000 1.142 88 H CA -1.013 54.559 56.048 -0.792 0.000 1.308 88 H CB 1.520 30.792 29.762 -0.816 0.000 1.970 88 H HN 0.644 nan 8.280 nan 0.000 0.521 89 T N 1.245 115.474 114.554 -0.543 0.000 2.942 89 T HA 0.244 4.594 4.350 0.000 0.000 0.327 89 T C -0.454 174.201 174.700 -0.075 0.000 1.360 89 T CA -0.775 61.101 62.100 -0.373 0.000 1.055 89 T CB 1.376 70.060 68.868 -0.306 0.000 1.261 89 T HN 0.756 nan 8.240 nan 0.000 0.485 90 N N 1.244 119.917 118.700 -0.044 0.000 2.373 90 N HA 0.085 4.825 4.740 0.000 0.000 0.181 90 N C 0.419 176.011 175.510 0.136 0.000 1.082 90 N CA 0.131 53.199 53.050 0.030 0.000 0.885 90 N CB 0.609 39.086 38.487 -0.017 0.000 0.977 90 N HN 0.519 nan 8.380 nan 0.000 0.462 91 S N 0.978 116.734 115.700 0.093 0.000 2.439 91 S HA 0.135 4.605 4.470 0.000 0.000 0.282 91 S C 1.247 175.873 174.600 0.043 0.000 1.170 91 S CA -0.544 57.699 58.200 0.072 0.000 1.054 91 S CB 1.251 64.455 63.200 0.007 0.000 0.956 91 S HN 0.141 nan 8.310 nan 0.000 0.490 92 K N 3.751 124.201 120.400 0.085 0.000 2.103 92 K HA -0.141 4.179 4.320 0.000 0.000 0.207 92 K C 0.825 177.395 176.600 -0.050 0.000 1.048 92 K CA 2.045 58.295 56.287 -0.060 0.000 0.930 92 K CB -0.067 32.488 32.500 0.091 0.000 0.716 92 K HN 0.676 nan 8.250 nan 0.000 0.444 93 D N 0.127 120.533 120.400 0.009 0.000 2.123 93 D HA -0.124 4.516 4.640 0.000 0.000 0.200 93 D C 2.011 178.346 176.300 0.060 0.000 0.976 93 D CA 1.049 55.067 54.000 0.031 0.000 0.831 93 D CB -0.187 40.628 40.800 0.025 0.000 0.974 93 D HN 0.074 nan 8.370 nan 0.000 0.469 94 V N 0.946 120.891 119.914 0.052 0.000 2.343 94 V HA -0.216 3.904 4.120 0.000 0.000 0.247 94 V C 2.210 178.422 176.094 0.196 0.000 1.051 94 V CA 1.254 63.623 62.300 0.115 0.000 1.036 94 V CB -0.596 31.278 31.823 0.085 0.000 0.654 94 V HN 0.073 nan 8.190 nan 0.000 0.451 95 F N 0.787 120.684 119.950 -0.088 0.000 2.146 95 F HA -0.155 4.372 4.527 0.000 0.000 0.298 95 F C 2.460 178.207 175.800 -0.088 0.000 1.096 95 F CA 1.862 59.751 58.000 -0.185 0.000 1.275 95 F CB 0.039 38.630 39.000 -0.682 0.000 1.008 95 F HN 0.170 nan 8.300 nan 0.000 0.480 96 E N -1.109 119.053 120.200 -0.063 0.000 2.152 96 E HA -0.240 4.110 4.350 0.000 0.000 0.192 96 E C 1.770 178.358 176.600 -0.020 0.000 0.983 96 E CA 1.097 57.457 56.400 -0.068 0.000 0.818 96 E CB -0.335 29.357 29.700 -0.012 0.000 0.758 96 E HN 0.602 nan 8.360 nan 0.000 0.467 97 Y N 1.245 121.515 120.300 -0.050 0.000 2.070 97 Y HA -0.259 4.291 4.550 0.000 0.000 0.279 97 Y C 1.983 177.906 175.900 0.038 0.000 1.134 97 Y CA 1.269 59.369 58.100 -0.000 0.000 1.113 97 Y CB -0.358 38.134 38.460 0.053 0.000 0.981 97 Y HN -0.048 nan 8.280 nan 0.000 0.487 98 L N 0.325 121.604 121.223 0.094 0.000 2.129 98 L HA -0.252 4.088 4.340 0.000 0.000 0.212 98 L C 2.500 179.320 176.870 -0.084 0.000 1.087 98 L CA 2.017 56.880 54.840 0.037 0.000 0.757 98 L CB -1.416 40.713 42.059 0.116 0.000 0.896 98 L HN 0.244 nan 8.230 nan 0.000 0.434 99 S N -0.850 114.796 115.700 -0.090 0.000 2.469 99 S HA -0.153 4.317 4.470 0.000 0.000 0.238 99 S C 1.776 176.190 174.600 -0.311 0.000 0.998 99 S CA 0.726 58.860 58.200 -0.111 0.000 0.957 99 S CB -0.314 62.836 63.200 -0.085 0.000 0.764 99 S HN 0.468 nan 8.310 nan 0.000 0.514 100 R N -0.310 119.888 120.500 -0.503 0.000 2.339 100 R HA 0.077 4.417 4.340 0.000 0.000 0.199 100 R C 0.375 175.980 176.300 -1.157 0.000 1.018 100 R CA 0.779 56.369 56.100 -0.850 0.000 1.036 100 R CB -0.146 29.471 30.300 -1.138 0.000 0.899 100 R HN 0.460 nan 8.270 nan 0.000 0.473 101 F N -2.063 117.675 119.950 -0.353 0.000 2.925 101 F HA 0.190 4.717 4.527 0.000 0.000 0.355 101 F C 0.461 176.027 175.800 -0.389 0.000 1.073 101 F CA -0.416 57.377 58.000 -0.344 0.000 1.127 101 F CB 1.347 40.124 39.000 -0.371 0.000 1.123 101 F HN -0.240 nan 8.300 nan 0.000 0.551 102 T N 0.179 114.497 114.554 -0.394 0.000 2.932 102 T HA 0.373 4.723 4.350 0.000 0.000 0.318 102 T C -0.904 173.333 174.700 -0.772 0.000 1.265 102 T CA -0.455 61.294 62.100 -0.584 0.000 1.036 102 T CB 1.554 69.936 68.868 -0.810 0.000 1.209 102 T HN 0.058 nan 8.240 nan 0.000 0.484 103 E N 1.519 121.358 120.200 -0.601 0.000 2.351 103 E HA 0.481 4.831 4.350 0.000 0.000 0.255 103 E C -0.885 175.276 176.600 -0.732 0.000 1.188 103 E CA -0.563 55.524 56.400 -0.522 0.000 0.940 103 E CB 0.888 30.441 29.700 -0.245 0.000 1.094 103 E HN 0.519 nan 8.360 nan 0.000 0.474 104 W N -0.015 121.233 121.300 -0.088 0.000 2.799 104 W HA 0.437 5.097 4.660 0.000 0.000 0.349 104 W C -0.103 176.414 176.519 -0.003 0.000 1.100 104 W CA -0.773 56.560 57.345 -0.019 0.000 1.174 104 W CB 1.100 30.646 29.460 0.142 0.000 1.427 104 W HN 0.100 nan 8.180 nan 0.000 0.547 105 R N 2.689 123.367 120.500 0.297 0.000 2.371 105 R HA 0.377 4.717 4.340 0.000 0.000 0.312 105 R C -2.742 173.737 176.300 0.299 0.000 0.980 105 R CA -1.926 54.298 56.100 0.206 0.000 0.867 105 R CB 1.138 31.496 30.300 0.096 0.000 1.163 105 R HN 0.108 nan 8.270 nan 0.000 0.492 106 P HA -0.058 nan 4.420 nan 0.000 0.262 106 P C -1.542 175.953 177.300 0.325 0.000 1.182 106 P CA 0.525 63.775 63.100 0.250 0.000 0.761 106 P CB 0.053 31.854 31.700 0.169 0.000 0.795 107 Y N 1.695 122.091 120.300 0.161 0.000 2.376 107 Y HA 0.244 4.794 4.550 0.000 0.000 0.321 107 Y C -1.499 174.513 175.900 0.185 0.000 1.189 107 Y CA -0.524 57.680 58.100 0.174 0.000 1.069 107 Y CB 1.562 40.146 38.460 0.206 0.000 1.292 107 Y HN 0.300 nan 8.280 nan 0.000 0.430 108 Q N 5.304 124.832 119.800 -0.453 0.000 2.413 108 Q HA 0.201 4.541 4.340 0.000 0.000 0.258 108 Q C -1.178 174.477 176.000 -0.574 0.000 1.037 108 Q CA -1.015 54.581 55.803 -0.345 0.000 0.764 108 Q CB 1.173 29.828 28.738 -0.139 0.000 1.217 108 Q HN 0.653 nan 8.270 nan 0.000 0.490 109 H N 2.514 121.240 119.070 -0.573 0.000 3.034 109 H HA 0.077 4.633 4.556 0.000 0.000 0.324 109 H C -0.685 174.546 175.328 -0.162 0.000 1.015 109 H CA 0.825 56.681 56.048 -0.319 0.000 1.429 109 H CB 0.398 30.244 29.762 0.140 0.000 1.429 109 H HN 0.376 nan 8.280 nan 0.000 0.585 110 R N 3.697 123.926 120.500 -0.450 0.000 2.409 110 R HA 0.390 4.730 4.340 0.000 0.000 0.313 110 R C -1.175 174.814 176.300 -0.519 0.000 0.953 110 R CA -0.826 55.049 56.100 -0.376 0.000 0.849 110 R CB 1.645 31.820 30.300 -0.208 0.000 1.171 110 R HN 0.313 nan 8.270 nan 0.000 0.458 111 V N 4.646 124.295 119.914 -0.442 0.000 2.481 111 V HA 0.358 4.478 4.120 0.000 0.000 0.286 111 V C -0.523 175.433 176.094 -0.230 0.000 1.042 111 V CA -0.787 61.275 62.300 -0.398 0.000 0.928 111 V CB 1.542 33.081 31.823 -0.473 0.000 0.986 111 V HN 0.443 nan 8.190 nan 0.000 0.462 112 L N 4.184 125.269 121.223 -0.230 0.000 2.313 112 L HA 0.770 5.110 4.340 0.000 0.000 0.283 112 L C 0.316 177.075 176.870 -0.185 0.000 1.013 112 L CA -0.432 54.305 54.840 -0.172 0.000 0.816 112 L CB 1.330 43.289 42.059 -0.167 0.000 1.236 112 L HN 0.786 nan 8.230 nan 0.000 0.419 113 A N 2.430 125.182 122.820 -0.113 0.000 2.301 113 A HA 0.575 4.895 4.320 0.000 0.000 0.312 113 A C 0.030 177.514 177.584 -0.167 0.000 1.182 113 A CA -0.359 51.598 52.037 -0.133 0.000 0.826 113 A CB 0.687 19.697 19.000 0.016 0.000 1.134 113 A HN 0.640 nan 8.150 nan 0.000 0.501 114 S N 1.982 117.521 115.700 -0.267 0.000 2.411 114 S HA 0.496 4.966 4.470 0.000 0.000 0.304 114 S C -0.572 173.930 174.600 -0.162 0.000 1.098 114 S CA -0.300 57.785 58.200 -0.192 0.000 1.068 114 S CB -0.672 62.410 63.200 -0.197 0.000 1.032 114 S HN 0.651 nan 8.310 nan 0.000 0.511 115 V N 4.684 124.486 119.914 -0.187 0.000 2.760 115 V HA 0.366 4.486 4.120 0.000 0.000 0.309 115 V C -0.470 175.527 176.094 -0.163 0.000 1.077 115 V CA -0.964 61.173 62.300 -0.271 0.000 0.910 115 V CB 1.912 33.376 31.823 -0.599 0.000 1.008 115 V HN 0.837 nan 8.190 nan 0.000 0.424 116 D N 3.448 123.771 120.400 -0.128 0.000 2.713 116 D HA -0.196 4.444 4.640 0.000 0.000 0.231 116 D C 1.307 177.582 176.300 -0.042 0.000 1.173 116 D CA 1.849 55.807 54.000 -0.070 0.000 0.628 116 D CB -1.003 39.758 40.800 -0.065 0.000 1.033 116 D HN 1.546 nan 8.370 nan 0.000 0.419 117 G N -0.451 108.334 108.800 -0.026 0.000 2.179 117 G HA2 -0.338 3.622 3.960 0.000 0.000 0.257 117 G HA3 -0.338 3.622 3.960 0.000 0.000 0.257 117 G C 0.113 175.009 174.900 -0.007 0.000 1.010 117 G CA 0.691 45.791 45.100 0.000 0.000 0.736 117 G HN 0.541 nan 8.290 nan 0.000 0.513 118 Q N -1.282 118.500 119.800 -0.029 0.000 2.413 118 Q HA 0.690 5.030 4.340 0.000 0.000 0.276 118 Q C -0.105 175.867 176.000 -0.047 0.000 1.099 118 Q CA -1.017 54.767 55.803 -0.031 0.000 0.814 118 Q CB 1.938 30.656 28.738 -0.034 0.000 1.379 118 Q HN 0.238 nan 8.270 nan 0.000 0.436 119 L N 2.711 123.906 121.223 -0.046 0.000 2.268 119 L HA 0.347 4.687 4.340 0.000 0.000 0.289 119 L C -1.116 175.725 176.870 -0.049 0.000 1.064 119 L CA -0.537 54.262 54.840 -0.068 0.000 0.824 119 L CB 0.106 42.119 42.059 -0.077 0.000 1.202 119 L HN 0.241 nan 8.230 nan 0.000 0.433 120 L N 5.558 126.767 121.223 -0.023 0.000 2.346 120 L HA 0.591 4.931 4.340 0.000 0.000 0.274 120 L C -2.174 174.698 176.870 0.004 0.000 1.007 120 L CA -2.631 52.219 54.840 0.017 0.000 0.818 120 L CB 1.384 43.514 42.059 0.118 0.000 1.284 120 L HN 0.208 nan 8.230 nan 0.000 0.424 121 P HA 0.124 nan 4.420 nan 0.000 0.261 121 P C -0.760 176.476 177.300 -0.106 0.000 1.183 121 P CA 0.270 63.321 63.100 -0.082 0.000 0.761 121 P CB 0.446 32.090 31.700 -0.093 0.000 0.785 122 I N 5.792 126.298 120.570 -0.105 0.000 2.498 122 I HA 0.493 4.664 4.170 0.000 0.000 0.290 122 I C -2.641 173.391 176.117 -0.142 0.000 1.032 122 I CA -3.480 57.729 61.300 -0.151 0.000 1.073 122 I CB 1.952 39.885 38.000 -0.111 0.000 1.251 122 I HN 0.170 nan 8.210 nan 0.000 0.426 123 P HA 0.148 nan 4.420 nan 0.000 0.266 123 P C -0.484 176.672 177.300 -0.240 0.000 1.193 123 P CA 0.136 63.076 63.100 -0.267 0.000 0.770 123 P CB 0.274 31.811 31.700 -0.273 0.000 0.836 124 I N 2.675 123.074 120.570 -0.286 0.000 2.752 124 I HA -0.057 4.114 4.170 0.000 0.000 0.289 124 I C 1.140 177.179 176.117 -0.130 0.000 1.197 124 I CA 0.834 61.940 61.300 -0.322 0.000 1.432 124 I CB -0.288 37.494 38.000 -0.364 0.000 1.359 124 I HN 0.538 nan 8.210 nan 0.000 0.571 125 N N 5.963 124.609 118.700 -0.090 0.000 3.102 125 N HA 0.220 4.960 4.740 0.000 0.000 0.299 125 N C 0.334 175.832 175.510 -0.020 0.000 1.482 125 N CA -0.920 52.114 53.050 -0.028 0.000 0.785 125 N CB 0.623 39.067 38.487 -0.072 0.000 1.680 125 N HN 0.457 nan 8.380 nan 0.000 0.594 126 L N -0.300 120.894 121.223 -0.047 0.000 2.089 126 L HA -0.194 4.146 4.340 0.000 0.000 0.213 126 L C 0.448 177.259 176.870 -0.099 0.000 1.079 126 L CA 2.230 57.012 54.840 -0.098 0.000 0.758 126 L CB -0.407 41.585 42.059 -0.112 0.000 0.891 126 L HN 0.561 nan 8.230 nan 0.000 0.433 127 D N -1.175 119.177 120.400 -0.081 0.000 2.162 127 D HA -0.100 4.540 4.640 0.000 0.000 0.203 127 D C 2.022 178.279 176.300 -0.072 0.000 0.967 127 D CA 1.461 55.416 54.000 -0.075 0.000 0.840 127 D CB 0.131 40.891 40.800 -0.067 0.000 0.972 127 D HN 0.354 nan 8.370 nan 0.000 0.482 128 T N 0.776 115.285 114.554 -0.075 0.000 2.746 128 T HA -0.087 4.263 4.350 0.000 0.000 0.267 128 T C 2.265 176.919 174.700 -0.076 0.000 1.039 128 T CA 0.701 62.758 62.100 -0.072 0.000 1.142 128 T CB -0.191 68.591 68.868 -0.142 0.000 0.866 128 T HN -0.032 nan 8.240 nan 0.000 0.444 129 V N 2.219 122.089 119.914 -0.072 0.000 2.323 129 V HA -0.127 3.993 4.120 0.000 0.000 0.244 129 V C 2.479 178.507 176.094 -0.110 0.000 1.041 129 V CA 1.406 63.656 62.300 -0.083 0.000 1.025 129 V CB -0.565 31.177 31.823 -0.135 0.000 0.656 129 V HN 0.403 nan 8.190 nan 0.000 0.451 130 N N 0.325 118.956 118.700 -0.115 0.000 2.120 130 N HA -0.118 4.622 4.740 0.000 0.000 0.188 130 N C 1.995 177.472 175.510 -0.055 0.000 1.024 130 N CA 1.369 54.366 53.050 -0.087 0.000 0.852 130 N CB -0.298 38.136 38.487 -0.089 0.000 1.003 130 N HN 0.469 nan 8.380 nan 0.000 0.424 131 R N 0.281 120.743 120.500 -0.063 0.000 2.075 131 R HA -0.024 4.316 4.340 0.000 0.000 0.232 131 R C 2.176 178.436 176.300 -0.068 0.000 1.126 131 R CA 0.611 56.681 56.100 -0.050 0.000 0.963 131 R CB -0.542 29.732 30.300 -0.043 0.000 0.858 131 R HN 0.142 nan 8.270 nan 0.000 0.435 132 L N -0.161 120.980 121.223 -0.136 0.000 2.042 132 L HA -0.195 4.145 4.340 0.000 0.000 0.210 132 L C 1.421 178.148 176.870 -0.239 0.000 1.076 132 L CA 1.798 56.487 54.840 -0.251 0.000 0.749 132 L CB -0.167 41.629 42.059 -0.439 0.000 0.893 132 L HN 0.105 nan 8.230 nan 0.000 0.432 133 Y N -0.352 119.954 120.300 0.010 0.000 2.458 133 Y HA 0.414 4.964 4.550 0.000 0.000 0.254 133 Y C 1.803 177.695 175.900 -0.014 0.000 1.120 133 Y CA -0.166 57.937 58.100 0.004 0.000 1.282 133 Y CB -0.184 38.264 38.460 -0.020 0.000 1.109 133 Y HN 0.221 nan 8.280 nan 0.000 0.526 134 G N 0.868 109.725 108.800 0.094 0.000 2.160 134 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 134 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 134 G C 0.100 175.021 174.900 0.035 0.000 1.022 134 G CA 0.163 45.291 45.100 0.048 0.000 0.741 134 G HN 0.251 nan 8.290 nan 0.000 0.508 135 L N -0.672 120.567 121.223 0.027 0.000 2.479 135 L HA 0.449 4.789 4.340 0.000 0.000 0.249 135 L C 1.156 177.998 176.870 -0.048 0.000 1.178 135 L CA -0.632 54.191 54.840 -0.028 0.000 0.811 135 L CB 0.592 42.590 42.059 -0.102 0.000 1.187 135 L HN 0.133 nan 8.230 nan 0.000 0.480 136 N N 0.761 119.425 118.700 -0.060 0.000 2.536 136 N HA 0.254 4.994 4.740 0.000 0.000 0.286 136 N C -0.609 174.864 175.510 -0.063 0.000 1.577 136 N CA -0.124 52.895 53.050 -0.052 0.000 0.883 136 N CB 0.625 39.094 38.487 -0.029 0.000 1.390 136 N HN 0.378 nan 8.380 nan 0.000 0.491 137 L N 1.132 122.293 121.223 -0.104 0.000 2.482 137 L HA 0.094 4.434 4.340 0.000 0.000 0.273 137 L C 1.493 178.314 176.870 -0.081 0.000 1.228 137 L CA 0.394 55.169 54.840 -0.107 0.000 0.827 137 L CB 0.140 42.080 42.059 -0.199 0.000 1.099 137 L HN 0.142 nan 8.230 nan 0.000 0.494 138 T N -2.421 112.106 114.554 -0.044 0.000 2.923 138 T HA 0.212 4.562 4.350 0.000 0.000 0.281 138 T C 1.012 175.645 174.700 -0.111 0.000 0.995 138 T CA -0.605 61.476 62.100 -0.032 0.000 0.985 138 T CB 1.535 70.463 68.868 0.100 0.000 1.114 138 T HN 0.484 nan 8.240 nan 0.000 0.548 139 S N -0.210 115.352 115.700 -0.230 0.000 2.399 139 S HA -0.004 4.467 4.470 0.000 0.000 0.231 139 S C 1.418 175.808 174.600 -0.350 0.000 1.022 139 S CA 1.109 59.096 58.200 -0.353 0.000 0.983 139 S CB -0.719 62.173 63.200 -0.512 0.000 0.803 139 S HN 0.641 nan 8.310 nan 0.000 0.480 140 F N 1.593 121.521 119.950 -0.035 0.000 2.325 140 F HA 0.011 4.538 4.527 0.000 0.000 0.299 140 F C 2.528 178.311 175.800 -0.029 0.000 1.090 140 F CA 0.586 58.571 58.000 -0.025 0.000 1.392 140 F CB -0.448 38.540 39.000 -0.020 0.000 1.053 140 F HN 0.198 nan 8.300 nan 0.000 0.521 141 Q N -0.550 119.309 119.800 0.098 0.000 2.165 141 Q HA -0.048 4.292 4.340 0.000 0.000 0.197 141 Q C 2.401 178.385 176.000 -0.027 0.000 0.952 141 Q CA 0.799 56.627 55.803 0.042 0.000 0.848 141 Q CB -0.392 28.361 28.738 0.024 0.000 0.931 141 Q HN 0.280 nan 8.270 nan 0.000 0.470 142 V N 1.385 121.223 119.914 -0.127 0.000 2.867 142 V HA -0.264 3.856 4.120 0.000 0.000 0.260 142 V C 1.965 177.863 176.094 -0.326 0.000 1.099 142 V CA 1.823 63.941 62.300 -0.303 0.000 1.122 142 V CB -0.162 31.418 31.823 -0.405 0.000 0.708 142 V HN 0.372 nan 8.190 nan 0.000 0.490 143 E N -0.223 119.919 120.200 -0.096 0.000 2.028 143 E HA -0.236 4.114 4.350 0.000 0.000 0.191 143 E C 2.140 178.785 176.600 0.076 0.000 0.988 143 E CA 1.638 58.066 56.400 0.046 0.000 0.799 143 E CB -0.125 29.616 29.700 0.068 0.000 0.755 143 E HN 0.763 nan 8.360 nan 0.000 0.447 144 E N 0.011 120.245 120.200 0.056 0.000 2.051 144 E HA -0.211 4.139 4.350 0.000 0.000 0.192 144 E C 1.922 178.559 176.600 0.062 0.000 0.991 144 E CA 1.106 57.542 56.400 0.059 0.000 0.799 144 E CB -0.337 29.394 29.700 0.052 0.000 0.748 144 E HN 0.269 nan 8.360 nan 0.000 0.449 145 F N 1.469 121.361 119.950 -0.096 0.000 2.032 145 F HA -0.335 4.192 4.527 0.000 0.000 0.297 145 F C 1.960 177.763 175.800 0.005 0.000 1.125 145 F CA 1.682 59.617 58.000 -0.109 0.000 1.202 145 F CB -0.403 38.455 39.000 -0.238 0.000 0.958 145 F HN -0.084 nan 8.300 nan 0.000 0.491 146 F N 0.912 120.942 119.950 0.133 0.000 2.063 146 F HA -0.275 4.252 4.527 0.000 0.000 0.298 146 F C 2.712 178.439 175.800 -0.123 0.000 1.109 146 F CA 1.289 59.285 58.000 -0.006 0.000 1.212 146 F CB -1.866 37.187 39.000 0.088 0.000 0.973 146 F HN 0.135 nan 8.300 nan 0.000 0.480 147 A N -0.425 122.470 122.820 0.126 0.000 1.972 147 A HA -0.175 4.145 4.320 0.000 0.000 0.219 147 A C 2.236 179.794 177.584 -0.043 0.000 1.169 147 A CA 1.909 53.966 52.037 0.033 0.000 0.635 147 A CB -1.090 17.931 19.000 0.036 0.000 0.810 147 A HN 0.421 nan 8.150 nan 0.000 0.446 148 S N -0.710 114.926 115.700 -0.106 0.000 2.603 148 S HA 0.107 4.577 4.470 0.000 0.000 0.220 148 S C 1.170 175.646 174.600 -0.208 0.000 0.967 148 S CA 0.915 59.026 58.200 -0.148 0.000 0.920 148 S CB -0.281 62.825 63.200 -0.158 0.000 0.773 148 S HN 1.019 nan 8.310 nan 0.000 0.529 149 V N -3.085 116.693 119.914 -0.226 0.000 3.480 149 V HA 0.629 4.749 4.120 0.000 0.000 0.263 149 V C 0.980 177.016 176.094 -0.095 0.000 1.442 149 V CA -0.171 62.015 62.300 -0.189 0.000 1.053 149 V CB -0.863 30.794 31.823 -0.278 0.000 0.846 149 V HN 0.502 nan 8.190 nan 0.000 0.440 150 A N 1.351 124.129 122.820 -0.070 0.000 2.561 150 A HA 0.263 4.583 4.320 0.000 0.000 0.234 150 A C 0.311 177.855 177.584 -0.066 0.000 1.055 150 A CA 0.377 52.377 52.037 -0.060 0.000 0.756 150 A CB -0.268 18.704 19.000 -0.046 0.000 0.986 150 A HN 0.678 nan 8.150 nan 0.000 0.505 151 E N 0.417 120.571 120.200 -0.076 0.000 2.242 151 E HA 0.304 4.654 4.350 0.000 0.000 0.275 151 E C -0.494 176.063 176.600 -0.071 0.000 1.002 151 E CA -0.837 55.519 56.400 -0.073 0.000 0.841 151 E CB 1.134 30.782 29.700 -0.086 0.000 1.109 151 E HN 0.502 nan 8.360 nan 0.000 0.394 152 K N 1.841 122.206 120.400 -0.058 0.000 2.349 152 K HA 0.173 4.493 4.320 0.000 0.000 0.288 152 K C -1.341 175.225 176.600 -0.057 0.000 1.058 152 K CA -0.106 56.150 56.287 -0.052 0.000 0.953 152 K CB 0.534 33.010 32.500 -0.041 0.000 0.997 152 K HN 0.162 nan 8.250 nan 0.000 0.477 153 V N 5.697 125.574 119.914 -0.060 0.000 2.444 153 V HA 0.138 4.258 4.120 0.000 0.000 0.294 153 V C 0.873 176.938 176.094 -0.049 0.000 1.022 153 V CA -0.649 61.614 62.300 -0.061 0.000 0.850 153 V CB 1.451 33.227 31.823 -0.078 0.000 0.992 153 V HN 0.945 nan 8.190 nan 0.000 0.426 154 E N 2.598 122.773 120.200 -0.041 0.000 2.002 154 E HA -0.204 4.146 4.350 0.000 0.000 0.205 154 E C 0.729 177.309 176.600 -0.034 0.000 1.020 154 E CA 1.399 57.779 56.400 -0.033 0.000 0.856 154 E CB 0.261 29.944 29.700 -0.028 0.000 0.788 154 E HN 0.673 nan 8.360 nan 0.000 0.477 155 Q N 0.552 120.332 119.800 -0.034 0.000 2.337 155 Q HA 0.312 4.652 4.340 0.000 0.000 0.266 155 Q C -1.479 174.497 176.000 -0.040 0.000 1.023 155 Q CA -0.385 55.399 55.803 -0.032 0.000 0.829 155 Q CB 2.153 30.876 28.738 -0.025 0.000 1.306 155 Q HN -0.045 nan 8.270 nan 0.000 0.449 156 V N 5.710 125.598 119.914 -0.042 0.000 2.372 156 V HA 0.242 4.362 4.120 0.000 0.000 0.261 156 V C 0.612 176.680 176.094 -0.043 0.000 1.055 156 V CA 0.347 62.616 62.300 -0.052 0.000 0.930 156 V CB 0.712 32.500 31.823 -0.058 0.000 1.031 156 V HN 0.836 nan 8.190 nan 0.000 0.479 157 R N 1.968 122.441 120.500 -0.045 0.000 2.320 157 R HA 0.152 4.492 4.340 0.000 0.000 0.193 157 R C 0.926 177.204 176.300 -0.037 0.000 0.885 157 R CA 0.481 56.560 56.100 -0.034 0.000 1.085 157 R CB 0.689 30.973 30.300 -0.027 0.000 1.253 157 R HN 0.710 nan 8.270 nan 0.000 0.636 158 T N -2.200 112.327 114.554 -0.046 0.000 2.944 158 T HA 0.241 4.591 4.350 0.000 0.000 0.284 158 T C 0.854 175.524 174.700 -0.049 0.000 1.010 158 T CA -0.589 61.485 62.100 -0.042 0.000 1.025 158 T CB 1.983 70.830 68.868 -0.034 0.000 1.079 158 T HN -0.154 nan 8.240 nan 0.000 0.516 159 S N -0.151 115.532 115.700 -0.030 0.000 2.603 159 S HA -0.012 4.458 4.470 0.000 0.000 0.229 159 S C 1.608 176.223 174.600 0.025 0.000 0.972 159 S CA 0.590 58.786 58.200 -0.007 0.000 0.935 159 S CB -0.405 62.806 63.200 0.018 0.000 0.769 159 S HN 0.860 nan 8.310 nan 0.000 0.536 160 E N 1.142 121.333 120.200 -0.014 0.000 2.140 160 E HA -0.111 4.239 4.350 0.000 0.000 0.191 160 E C 0.794 177.212 176.600 -0.304 0.000 0.973 160 E CA 0.761 57.063 56.400 -0.164 0.000 0.829 160 E CB 0.085 29.687 29.700 -0.163 0.000 0.781 160 E HN 0.312 nan 8.360 nan 0.000 0.466 161 D N 0.562 120.851 120.400 -0.186 0.000 2.117 161 D HA -0.117 4.523 4.640 0.000 0.000 0.198 161 D C 2.102 178.295 176.300 -0.178 0.000 0.982 161 D CA 0.877 54.772 54.000 -0.176 0.000 0.828 161 D CB -0.039 40.691 40.800 -0.116 0.000 0.967 161 D HN 0.109 nan 8.370 nan 0.000 0.464 162 V N 0.954 120.772 119.914 -0.159 0.000 2.407 162 V HA -0.183 3.937 4.120 0.000 0.000 0.248 162 V C 2.561 178.514 176.094 -0.235 0.000 1.055 162 V CA 1.022 63.222 62.300 -0.166 0.000 1.049 162 V CB -0.283 31.456 31.823 -0.140 0.000 0.662 162 V HN 0.054 nan 8.190 nan 0.000 0.455 163 V N -0.855 118.886 119.914 -0.289 0.000 2.379 163 V HA -0.104 4.016 4.120 0.000 0.000 0.243 163 V C 2.344 178.273 176.094 -0.275 0.000 1.035 163 V CA 1.377 63.457 62.300 -0.367 0.000 1.035 163 V CB -0.154 31.424 31.823 -0.407 0.000 0.673 163 V HN 0.369 nan 8.190 nan 0.000 0.457 164 V N 1.382 121.112 119.914 -0.307 0.000 2.427 164 V HA -0.199 3.921 4.120 0.000 0.000 0.248 164 V C 2.751 178.736 176.094 -0.182 0.000 1.051 164 V CA 2.172 64.313 62.300 -0.265 0.000 1.048 164 V CB -0.713 30.892 31.823 -0.364 0.000 0.666 164 V HN 0.750 nan 8.190 nan 0.000 0.456 165 S N -0.103 115.491 115.700 -0.177 0.000 2.423 165 S HA -0.142 4.328 4.470 0.000 0.000 0.231 165 S C 1.815 176.339 174.600 -0.127 0.000 1.014 165 S CA 0.861 58.981 58.200 -0.133 0.000 0.965 165 S CB -0.165 62.964 63.200 -0.119 0.000 0.785 165 S HN 0.593 nan 8.310 nan 0.000 0.495 166 K N 1.065 121.362 120.400 -0.171 0.000 2.172 166 K HA 0.223 4.543 4.320 0.000 0.000 0.203 166 K C 2.122 178.564 176.600 -0.263 0.000 1.040 166 K CA 1.354 57.522 56.287 -0.199 0.000 0.974 166 K CB -0.543 31.810 32.500 -0.245 0.000 0.857 166 K HN 0.506 nan 8.250 nan 0.000 0.464 167 V N -2.253 117.483 119.914 -0.296 0.000 3.528 167 V HA 0.426 4.546 4.120 0.000 0.000 0.294 167 V C 0.512 176.588 176.094 -0.030 0.000 1.404 167 V CA 0.247 62.361 62.300 -0.310 0.000 1.065 167 V CB -0.244 31.326 31.823 -0.422 0.000 0.904 167 V HN 0.415 nan 8.190 nan 0.000 0.435 168 G N 1.158 109.935 108.800 -0.038 0.000 2.662 168 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 168 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 168 G C -0.018 174.927 174.900 0.074 0.000 1.271 168 G CA 0.147 45.254 45.100 0.012 0.000 0.816 168 G HN 0.613 nan 8.290 nan 0.000 0.608 169 R N 0.491 121.031 120.500 0.067 0.000 2.073 169 R HA -0.041 4.299 4.340 0.000 0.000 0.234 169 R C 2.157 178.604 176.300 0.246 0.000 1.134 169 R CA 2.670 58.849 56.100 0.132 0.000 0.952 169 R CB -0.797 29.551 30.300 0.079 0.000 0.850 169 R HN 0.700 nan 8.270 nan 0.000 0.433 170 D N -0.402 120.125 120.400 0.211 0.000 2.084 170 D HA -0.144 4.496 4.640 0.000 0.000 0.194 170 D C 1.895 178.393 176.300 0.330 0.000 0.990 170 D CA 1.623 55.777 54.000 0.255 0.000 0.826 170 D CB -0.113 40.844 40.800 0.262 0.000 0.971 170 D HN 0.311 nan 8.370 nan 0.000 0.453 171 L N -0.497 120.957 121.223 0.386 0.000 2.131 171 L HA -0.160 4.180 4.340 0.000 0.000 0.210 171 L C 2.317 179.481 176.870 0.491 0.000 1.092 171 L CA 1.095 56.212 54.840 0.462 0.000 0.759 171 L CB -0.622 41.683 42.059 0.411 0.000 0.903 171 L HN 0.224 nan 8.230 nan 0.000 0.435 172 Y N 1.246 121.695 120.300 0.249 0.000 2.165 172 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 172 Y C 2.453 178.516 175.900 0.272 0.000 1.155 172 Y CA 1.785 60.029 58.100 0.240 0.000 1.164 172 Y CB -0.243 38.268 38.460 0.084 0.000 0.978 172 Y HN 0.206 nan 8.280 nan 0.000 0.513 173 N N 0.618 119.426 118.700 0.181 0.000 2.120 173 N HA -0.164 4.576 4.740 0.000 0.000 0.188 173 N C 1.669 177.180 175.510 0.001 0.000 1.024 173 N CA 1.825 54.893 53.050 0.030 0.000 0.852 173 N CB -0.305 38.254 38.487 0.120 0.000 1.003 173 N HN 0.466 nan 8.380 nan 0.000 0.424 174 K N -0.873 119.568 120.400 0.068 0.000 2.103 174 K HA 0.027 4.347 4.320 0.000 0.000 0.204 174 K C 1.234 177.660 176.600 -0.291 0.000 1.052 174 K CA 0.870 57.081 56.287 -0.126 0.000 0.945 174 K CB 0.011 32.402 32.500 -0.181 0.000 0.722 174 K HN 0.153 nan 8.250 nan 0.000 0.443 175 F N -1.870 118.092 119.950 0.021 0.000 2.602 175 F HA 0.171 4.698 4.527 0.000 0.000 0.284 175 F C 1.488 177.143 175.800 -0.243 0.000 1.111 175 F CA 0.190 58.121 58.000 -0.116 0.000 1.405 175 F CB 0.267 39.182 39.000 -0.142 0.000 1.121 175 F HN -0.136 nan 8.300 nan 0.000 0.603 176 F N -0.862 119.113 119.950 0.043 0.000 2.553 176 F HA 0.237 4.764 4.527 0.000 0.000 0.282 176 F C 2.357 178.078 175.800 -0.131 0.000 1.089 176 F CA 0.104 58.095 58.000 -0.015 0.000 1.411 176 F CB -0.246 38.761 39.000 0.013 0.000 1.125 176 F HN -0.363 nan 8.300 nan 0.000 0.610 177 R N 0.773 121.111 120.500 -0.269 0.000 2.070 177 R HA -0.083 4.257 4.340 0.000 0.000 0.233 177 R C 2.369 178.645 176.300 -0.039 0.000 1.137 177 R CA 1.707 57.615 56.100 -0.320 0.000 0.945 177 R CB -0.939 29.046 30.300 -0.525 0.000 0.845 177 R HN 0.361 nan 8.270 nan 0.000 0.430 178 G N -0.265 108.521 108.800 -0.024 0.000 2.484 178 G HA2 -0.350 3.610 3.960 0.000 0.000 0.215 178 G HA3 -0.350 3.610 3.960 0.000 0.000 0.215 178 G C 1.298 176.233 174.900 0.059 0.000 1.219 178 G CA 0.924 46.032 45.100 0.013 0.000 0.791 178 G HN 0.472 nan 8.290 nan 0.000 0.550 179 Y N 1.680 121.966 120.300 -0.023 0.000 2.062 179 Y HA -0.269 4.282 4.550 0.000 0.000 0.276 179 Y C 3.244 179.182 175.900 0.064 0.000 1.189 179 Y CA 2.665 60.764 58.100 -0.001 0.000 1.130 179 Y CB -0.434 37.999 38.460 -0.046 0.000 0.959 179 Y HN 0.229 nan 8.280 nan 0.000 0.499 180 T N 0.398 115.159 114.554 0.344 0.000 2.777 180 T HA -0.156 4.194 4.350 0.000 0.000 0.266 180 T C 1.920 176.793 174.700 0.288 0.000 1.040 180 T CA 1.400 63.747 62.100 0.412 0.000 1.141 180 T CB -0.240 68.874 68.868 0.410 0.000 0.868 180 T HN 0.312 nan 8.240 nan 0.000 0.444 181 R N 0.779 121.378 120.500 0.164 0.000 2.091 181 R HA -0.108 4.232 4.340 0.000 0.000 0.238 181 R C 2.547 178.891 176.300 0.073 0.000 1.136 181 R CA 1.595 57.767 56.100 0.120 0.000 0.959 181 R CB -0.175 30.168 30.300 0.071 0.000 0.856 181 R HN 0.337 nan 8.270 nan 0.000 0.437 182 K N 0.628 121.023 120.400 -0.008 0.000 2.007 182 K HA -0.230 4.090 4.320 0.000 0.000 0.206 182 K C 2.183 178.697 176.600 -0.143 0.000 1.047 182 K CA 1.712 57.948 56.287 -0.085 0.000 0.937 182 K CB -0.061 32.346 32.500 -0.155 0.000 0.718 182 K HN -0.058 nan 8.250 nan 0.000 0.438 183 Q N -0.540 119.105 119.800 -0.259 0.000 2.084 183 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 183 Q C 1.241 176.957 176.000 -0.474 0.000 0.978 183 Q CA 2.173 57.712 55.803 -0.441 0.000 0.844 183 Q CB -0.182 28.199 28.738 -0.596 0.000 0.898 183 Q HN 0.519 nan 8.270 nan 0.000 0.426 184 W N -1.607 119.665 121.300 -0.047 0.000 2.907 184 W HA 0.392 5.052 4.660 0.000 0.000 0.271 184 W C 1.275 177.805 176.519 0.018 0.000 1.253 184 W CA 0.299 57.638 57.345 -0.011 0.000 1.501 184 W CB 0.445 29.915 29.460 0.018 0.000 1.047 184 W HN 0.294 nan 8.180 nan 0.000 0.610 185 G N 0.390 109.316 108.800 0.211 0.000 2.162 185 G HA2 -0.248 3.712 3.960 0.000 0.000 0.260 185 G HA3 -0.248 3.712 3.960 0.000 0.000 0.260 185 G C -0.505 174.489 174.900 0.157 0.000 0.976 185 G CA 0.031 45.220 45.100 0.148 0.000 0.655 185 G HN 0.047 nan 8.290 nan 0.000 0.533 186 L N 0.224 121.566 121.223 0.199 0.000 2.370 186 L HA 0.655 4.995 4.340 0.000 0.000 0.266 186 L C 0.129 177.081 176.870 0.137 0.000 1.002 186 L CA -1.414 53.513 54.840 0.144 0.000 0.818 186 L CB 1.636 43.768 42.059 0.122 0.000 1.325 186 L HN 0.190 nan 8.230 nan 0.000 0.418 187 D N 2.611 123.075 120.400 0.106 0.000 2.400 187 D HA 0.129 4.769 4.640 0.000 0.000 0.238 187 D C -1.653 174.717 176.300 0.118 0.000 1.157 187 D CA -0.775 53.294 54.000 0.115 0.000 0.889 187 D CB 1.223 42.083 40.800 0.101 0.000 1.199 187 D HN 0.292 nan 8.370 nan 0.000 0.436 188 P HA -0.103 nan 4.420 nan 0.000 0.222 188 P C 0.809 178.167 177.300 0.097 0.000 1.147 188 P CA 1.044 64.245 63.100 0.168 0.000 0.790 188 P CB 0.025 31.931 31.700 0.344 0.000 0.780 189 S N -1.346 114.410 115.700 0.093 0.000 2.561 189 S HA -0.013 4.457 4.470 0.000 0.000 0.225 189 S C 1.416 176.028 174.600 0.019 0.000 0.977 189 S CA 0.621 58.845 58.200 0.039 0.000 0.926 189 S CB -0.721 62.502 63.200 0.038 0.000 0.769 189 S HN 0.205 nan 8.310 nan 0.000 0.533 190 E N 0.231 120.444 120.200 0.022 0.000 2.501 190 E HA 0.388 4.738 4.350 0.000 0.000 0.200 190 E C -0.592 175.993 176.600 -0.024 0.000 1.016 190 E CA -0.138 56.268 56.400 0.010 0.000 0.921 190 E CB 0.440 30.159 29.700 0.031 0.000 1.034 190 E HN 0.507 nan 8.360 nan 0.000 0.468 191 L N 0.665 121.857 121.223 -0.052 0.000 2.354 191 L HA 0.323 4.663 4.340 0.000 0.000 0.269 191 L C 0.146 176.962 176.870 -0.091 0.000 1.005 191 L CA -1.035 53.730 54.840 -0.125 0.000 0.819 191 L CB 1.688 43.600 42.059 -0.245 0.000 1.311 191 L HN -0.019 nan 8.230 nan 0.000 0.423 192 D N 1.216 121.559 120.400 -0.096 0.000 2.506 192 D HA -0.021 4.619 4.640 0.000 0.000 0.234 192 D C 0.882 177.149 176.300 -0.054 0.000 1.143 192 D CA 0.493 54.459 54.000 -0.056 0.000 0.871 192 D CB 1.688 42.465 40.800 -0.040 0.000 1.190 192 D HN 0.725 nan 8.370 nan 0.000 0.459 193 A N 3.154 125.950 122.820 -0.039 0.000 1.986 193 A HA -0.249 4.071 4.320 0.000 0.000 0.220 193 A C 2.230 179.795 177.584 -0.032 0.000 1.171 193 A CA 2.288 54.301 52.037 -0.041 0.000 0.640 193 A CB -0.660 18.315 19.000 -0.043 0.000 0.811 193 A HN 0.705 nan 8.150 nan 0.000 0.451 194 S N -0.369 115.319 115.700 -0.020 0.000 2.402 194 S HA -0.163 4.307 4.470 0.000 0.000 0.233 194 S C 1.709 176.312 174.600 0.004 0.000 1.030 194 S CA 1.532 59.729 58.200 -0.005 0.000 1.003 194 S CB -1.011 62.197 63.200 0.015 0.000 0.813 194 S HN 0.296 nan 8.310 nan 0.000 0.477 195 V N 2.992 122.907 119.914 0.002 0.000 2.244 195 V HA -0.155 3.966 4.120 0.000 0.000 0.244 195 V C 3.131 179.297 176.094 0.120 0.000 1.042 195 V CA 2.193 64.528 62.300 0.058 0.000 1.006 195 V CB -1.587 30.183 31.823 -0.087 0.000 0.641 195 V HN 0.856 nan 8.190 nan 0.000 0.446 196 T N -1.255 113.362 114.554 0.104 0.000 3.035 196 T HA 0.055 4.405 4.350 0.000 0.000 0.268 196 T C 1.728 176.468 174.700 0.067 0.000 1.109 196 T CA 0.994 63.197 62.100 0.172 0.000 1.119 196 T CB -0.252 68.667 68.868 0.086 0.000 0.900 196 T HN 0.435 nan 8.240 nan 0.000 0.503 197 A N 1.791 124.613 122.820 0.004 0.000 2.119 197 A HA 0.091 4.411 4.320 0.000 0.000 0.217 197 A C 2.470 180.042 177.584 -0.021 0.000 1.153 197 A CA 0.505 52.523 52.037 -0.033 0.000 0.692 197 A CB -0.563 18.415 19.000 -0.038 0.000 0.799 197 A HN 0.491 nan 8.150 nan 0.000 0.458 198 R N -0.861 119.639 120.500 0.000 0.000 2.148 198 R HA -0.014 4.326 4.340 0.000 0.000 0.227 198 R C -0.264 176.008 176.300 -0.046 0.000 1.103 198 R CA 0.980 57.065 56.100 -0.025 0.000 0.983 198 R CB -0.074 30.194 30.300 -0.054 0.000 0.874 198 R HN 0.295 nan 8.270 nan 0.000 0.451 199 V N 3.732 123.648 119.914 0.003 0.000 2.225 199 V HA 0.203 4.323 4.120 0.000 0.000 0.264 199 V C -2.145 173.945 176.094 -0.006 0.000 1.067 199 V CA -1.641 60.624 62.300 -0.058 0.000 0.903 199 V CB 0.827 32.653 31.823 0.005 0.000 1.136 199 V HN 0.055 nan 8.190 nan 0.000 0.456 200 P HA 0.304 nan 4.420 nan 0.000 0.278 200 P C -0.046 177.186 177.300 -0.114 0.000 1.238 200 P CA 0.034 63.075 63.100 -0.099 0.000 0.794 200 P CB 1.222 32.864 31.700 -0.096 0.000 0.955 201 T N 2.830 117.305 114.554 -0.132 0.000 2.922 201 T HA 0.407 4.757 4.350 0.000 0.000 0.285 201 T C 0.357 175.006 174.700 -0.084 0.000 1.005 201 T CA -0.468 61.546 62.100 -0.143 0.000 1.061 201 T CB 0.591 69.293 68.868 -0.276 0.000 1.007 201 T HN 0.320 nan 8.240 nan 0.000 0.502 202 R N 0.488 120.969 120.500 -0.032 0.000 2.740 202 R HA 0.445 4.785 4.340 0.000 0.000 0.282 202 R C 0.991 177.342 176.300 0.086 0.000 0.969 202 R CA -0.630 55.470 56.100 -0.001 0.000 0.918 202 R CB 1.315 31.583 30.300 -0.053 0.000 1.175 202 R HN 0.789 nan 8.270 nan 0.000 0.464 203 T N -2.722 111.861 114.554 0.048 0.000 3.044 203 T HA -0.011 4.339 4.350 0.000 0.000 0.250 203 T C 0.692 175.346 174.700 -0.076 0.000 1.081 203 T CA -0.077 62.033 62.100 0.018 0.000 1.040 203 T CB -0.257 68.608 68.868 -0.005 0.000 0.962 203 T HN 0.593 nan 8.240 nan 0.000 0.506 204 N N 1.401 120.054 118.700 -0.078 0.000 2.476 204 N HA 0.258 4.998 4.740 0.000 0.000 0.287 204 N C 0.165 175.621 175.510 -0.089 0.000 1.262 204 N CA -1.106 51.881 53.050 -0.104 0.000 0.980 204 N CB 0.464 38.891 38.487 -0.099 0.000 1.163 204 N HN 0.054 nan 8.380 nan 0.000 0.592 205 R N -1.346 119.100 120.500 -0.089 0.000 2.568 205 R HA 0.144 4.484 4.340 0.000 0.000 0.288 205 R C -0.738 175.516 176.300 -0.076 0.000 1.077 205 R CA -0.336 55.716 56.100 -0.080 0.000 1.102 205 R CB -0.458 29.798 30.300 -0.074 0.000 1.278 205 R HN 0.557 nan 8.270 nan 0.000 0.560 206 D N 1.604 121.955 120.400 -0.081 0.000 2.316 206 D HA -0.019 4.621 4.640 0.000 0.000 0.245 206 D C 0.483 176.726 176.300 -0.096 0.000 1.171 206 D CA -0.244 53.706 54.000 -0.084 0.000 0.856 206 D CB 0.753 41.502 40.800 -0.084 0.000 1.090 206 D HN 0.157 nan 8.370 nan 0.000 0.476 207 N N 2.788 121.432 118.700 -0.093 0.000 2.230 207 N HA 0.014 4.754 4.740 0.000 0.000 0.202 207 N C -0.229 175.212 175.510 -0.116 0.000 1.119 207 N CA -0.287 52.701 53.050 -0.103 0.000 0.851 207 N CB 0.044 38.477 38.487 -0.091 0.000 0.990 207 N HN 0.162 nan 8.380 nan 0.000 0.497 208 R N -0.160 120.272 120.500 -0.113 0.000 2.438 208 R HA 0.130 4.470 4.340 0.000 0.000 0.287 208 R C 0.292 176.497 176.300 -0.157 0.000 1.077 208 R CA -0.531 55.502 56.100 -0.113 0.000 1.034 208 R CB 0.466 30.720 30.300 -0.076 0.000 0.993 208 R HN 0.041 nan 8.270 nan 0.000 0.459 209 Y N 1.780 121.861 120.300 -0.365 0.000 2.293 209 Y HA -0.005 4.545 4.550 0.000 0.000 0.291 209 Y C -0.123 175.315 175.900 -0.769 0.000 1.137 209 Y CA 1.285 59.018 58.100 -0.612 0.000 1.202 209 Y CB 0.359 38.334 38.460 -0.807 0.000 0.990 209 Y HN 0.390 nan 8.280 nan 0.000 0.537 210 F N -1.563 118.354 119.950 -0.055 0.000 2.480 210 F HA 0.537 5.064 4.527 0.000 0.000 0.329 210 F C 0.680 176.419 175.800 -0.102 0.000 1.091 210 F CA -0.606 57.317 58.000 -0.127 0.000 0.972 210 F CB 1.490 40.377 39.000 -0.188 0.000 1.150 210 F HN -0.196 nan 8.300 nan 0.000 0.467 211 A N 0.948 123.817 122.820 0.081 0.000 2.460 211 A HA 0.242 4.562 4.320 0.000 0.000 0.258 211 A C -0.196 177.391 177.584 0.005 0.000 1.300 211 A CA -0.385 51.657 52.037 0.010 0.000 0.913 211 A CB -0.852 18.127 19.000 -0.034 0.000 1.031 211 A HN 0.712 nan 8.150 nan 0.000 0.512 212 D N -0.319 120.118 120.400 0.060 0.000 2.419 212 D HA 0.168 4.809 4.640 0.000 0.000 0.236 212 D C 1.287 177.509 176.300 -0.130 0.000 1.165 212 D CA 0.703 54.697 54.000 -0.010 0.000 0.882 212 D CB 0.615 41.435 40.800 0.033 0.000 1.201 212 D HN 0.099 nan 8.370 nan 0.000 0.443 213 T N 0.225 114.639 114.554 -0.234 0.000 2.777 213 T HA -0.117 4.233 4.350 0.000 0.000 0.266 213 T C 0.210 174.487 174.700 -0.704 0.000 1.040 213 T CA 1.162 62.964 62.100 -0.498 0.000 1.141 213 T CB -0.211 68.254 68.868 -0.671 0.000 0.868 213 T HN 0.333 nan 8.240 nan 0.000 0.444 214 Y N 1.482 121.575 120.300 -0.345 0.000 2.356 214 Y HA 0.518 5.068 4.550 0.000 0.000 0.334 214 Y C 0.080 175.724 175.900 -0.425 0.000 0.958 214 Y CA -0.995 56.746 58.100 -0.598 0.000 1.196 214 Y CB 0.848 38.670 38.460 -1.064 0.000 1.137 214 Y HN 0.000 nan 8.280 nan 0.000 0.485 215 Q N 3.069 122.767 119.800 -0.169 0.000 2.337 215 Q HA 0.826 5.166 4.340 0.000 0.000 0.264 215 Q C -1.149 174.927 176.000 0.126 0.000 1.007 215 Q CA -0.748 55.062 55.803 0.011 0.000 0.727 215 Q CB 2.148 30.904 28.738 0.030 0.000 1.256 215 Q HN 0.785 nan 8.270 nan 0.000 0.467 216 A N 2.593 125.598 122.820 0.308 0.000 2.610 216 A HA 0.810 5.130 4.320 0.000 0.000 0.291 216 A C -1.486 176.505 177.584 0.678 0.000 1.086 216 A CA -0.744 51.564 52.037 0.452 0.000 0.677 216 A CB 1.591 20.830 19.000 0.397 0.000 1.278 216 A HN 0.499 nan 8.150 nan 0.000 0.414 217 M N 1.015 120.965 119.600 0.583 0.000 2.508 217 M HA 0.411 4.891 4.480 0.000 0.000 0.327 217 M C -2.627 173.775 176.300 0.170 0.000 1.160 217 M CA -2.531 52.993 55.300 0.373 0.000 0.980 217 M CB 0.873 33.569 32.600 0.160 0.000 1.693 217 M HN 0.264 nan 8.290 nan 0.000 0.452 218 P HA -0.001 nan 4.420 nan 0.000 0.262 218 P C 0.910 177.942 177.300 -0.446 0.000 1.199 218 P CA -0.099 62.616 63.100 -0.641 0.000 0.763 218 P CB 0.237 31.473 31.700 -0.773 0.000 0.790 219 L N 4.370 125.300 121.223 -0.489 0.000 2.129 219 L HA -0.194 4.146 4.340 0.000 0.000 0.212 219 L C 1.144 177.682 176.870 -0.553 0.000 1.087 219 L CA 2.121 56.660 54.840 -0.502 0.000 0.757 219 L CB -0.694 40.953 42.059 -0.686 0.000 0.896 219 L HN 0.478 nan 8.230 nan 0.000 0.434 220 H N -1.122 117.841 119.070 -0.178 0.000 2.662 220 H HA 0.556 5.112 4.556 0.000 0.000 0.268 220 H C 0.799 176.039 175.328 -0.147 0.000 1.152 220 H CA 0.327 56.307 56.048 -0.115 0.000 1.072 220 H CB -0.079 29.632 29.762 -0.086 0.000 1.660 220 H HN 0.258 nan 8.280 nan 0.000 0.584 221 G N 0.090 108.785 108.800 -0.175 0.000 2.662 221 G HA2 -0.251 3.709 3.960 0.000 0.000 0.686 221 G HA3 -0.251 3.709 3.960 0.000 0.000 0.686 221 G C 0.129 174.862 174.900 -0.278 0.000 1.271 221 G CA -0.502 44.458 45.100 -0.233 0.000 0.816 221 G HN 0.200 nan 8.290 nan 0.000 0.608 222 Y N 0.385 120.606 120.300 -0.132 0.000 2.207 222 Y HA -0.123 4.427 4.550 0.000 0.000 0.287 222 Y C 3.368 179.304 175.900 0.059 0.000 1.156 222 Y CA 2.468 60.527 58.100 -0.067 0.000 1.182 222 Y CB -0.428 38.031 38.460 -0.002 0.000 0.979 222 Y HN 0.639 nan 8.280 nan 0.000 0.521 223 T N -0.075 114.550 114.554 0.119 0.000 2.777 223 T HA -0.141 4.209 4.350 0.000 0.000 0.266 223 T C 1.987 176.744 174.700 0.096 0.000 1.040 223 T CA 1.027 63.202 62.100 0.125 0.000 1.141 223 T CB -0.129 68.708 68.868 -0.052 0.000 0.868 223 T HN 0.196 nan 8.240 nan 0.000 0.444 224 R N 0.804 121.313 120.500 0.017 0.000 2.105 224 R HA -0.014 4.326 4.340 0.000 0.000 0.239 224 R C 2.407 178.680 176.300 -0.045 0.000 1.135 224 R CA 1.138 57.234 56.100 -0.008 0.000 0.967 224 R CB -0.798 29.499 30.300 -0.005 0.000 0.861 224 R HN 0.455 nan 8.270 nan 0.000 0.442 225 M N -0.418 119.115 119.600 -0.112 0.000 2.067 225 M HA -0.157 4.323 4.480 0.000 0.000 0.260 225 M C 1.795 177.939 176.300 -0.260 0.000 1.069 225 M CA 1.803 56.963 55.300 -0.232 0.000 1.117 225 M CB -0.183 32.182 32.600 -0.392 0.000 1.334 225 M HN -0.019 nan 8.290 nan 0.000 0.407 226 F N 0.545 120.389 119.950 -0.177 0.000 2.171 226 F HA -0.238 4.289 4.527 0.000 0.000 0.300 226 F C 2.565 178.256 175.800 -0.181 0.000 1.090 226 F CA 1.573 59.442 58.000 -0.217 0.000 1.293 226 F CB -0.458 38.425 39.000 -0.196 0.000 1.013 226 F HN 0.269 nan 8.300 nan 0.000 0.486 227 Q N 0.198 120.036 119.800 0.063 0.000 2.050 227 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 227 Q C 2.072 178.056 176.000 -0.027 0.000 0.980 227 Q CA 1.639 57.451 55.803 0.015 0.000 0.840 227 Q CB -0.147 28.603 28.738 0.019 0.000 0.898 227 Q HN 0.318 nan 8.270 nan 0.000 0.424 228 N N 0.009 118.687 118.700 -0.037 0.000 2.084 228 N HA -0.179 4.561 4.740 0.000 0.000 0.190 228 N C 1.668 177.136 175.510 -0.070 0.000 1.030 228 N CA 1.242 54.298 53.050 0.010 0.000 0.849 228 N CB -0.294 38.255 38.487 0.103 0.000 1.012 228 N HN 0.258 nan 8.380 nan 0.000 0.423 229 M N 0.510 119.865 119.600 -0.409 0.000 2.089 229 M HA -0.143 4.337 4.480 0.000 0.000 0.257 229 M C 1.178 177.287 176.300 -0.319 0.000 1.071 229 M CA 1.539 56.359 55.300 -0.801 0.000 1.096 229 M CB -0.073 32.036 32.600 -0.818 0.000 1.330 229 M HN 0.052 nan 8.290 nan 0.000 0.403 230 L N -0.639 120.487 121.223 -0.161 0.000 2.653 230 L HA 0.072 4.412 4.340 0.000 0.000 0.232 230 L C 1.972 178.814 176.870 -0.047 0.000 1.169 230 L CA -0.070 54.717 54.840 -0.088 0.000 0.951 230 L CB -0.434 41.588 42.059 -0.062 0.000 1.181 230 L HN 0.340 nan 8.230 nan 0.000 0.460 231 S N -2.143 113.538 115.700 -0.031 0.000 2.522 231 S HA -0.057 4.413 4.470 0.000 0.000 0.227 231 S C 1.173 175.778 174.600 0.008 0.000 0.986 231 S CA -0.051 58.146 58.200 -0.004 0.000 0.929 231 S CB -0.118 63.089 63.200 0.011 0.000 0.769 231 S HN 0.346 nan 8.310 nan 0.000 0.529 232 S N 2.895 118.601 115.700 0.010 0.000 2.558 232 S HA 0.147 4.617 4.470 0.000 0.000 0.287 232 S C -1.629 172.985 174.600 0.025 0.000 1.321 232 S CA -0.891 57.322 58.200 0.021 0.000 1.048 232 S CB 0.546 63.758 63.200 0.021 0.000 0.844 232 S HN 0.190 nan 8.310 nan 0.000 0.512 233 P HA 0.060 nan 4.420 nan 0.000 0.229 233 P C 0.328 177.663 177.300 0.058 0.000 1.160 233 P CA 0.571 63.694 63.100 0.039 0.000 0.777 233 P CB 0.047 31.769 31.700 0.035 0.000 0.814 234 N N -0.506 118.232 118.700 0.063 0.000 2.398 234 N HA 0.084 4.824 4.740 0.000 0.000 0.188 234 N C 0.276 175.845 175.510 0.099 0.000 1.122 234 N CA 0.385 53.491 53.050 0.093 0.000 0.866 234 N CB 0.261 38.801 38.487 0.089 0.000 0.970 234 N HN 0.266 nan 8.380 nan 0.000 0.462 235 I N 1.343 121.947 120.570 0.056 0.000 2.382 235 I HA 0.224 4.394 4.170 0.000 0.000 0.286 235 I C -0.284 175.839 176.117 0.010 0.000 1.002 235 I CA -0.814 60.497 61.300 0.019 0.000 1.135 235 I CB 1.251 39.239 38.000 -0.020 0.000 1.288 235 I HN -0.396 nan 8.210 nan 0.000 0.448 236 K N 5.879 126.269 120.400 -0.017 0.000 2.159 236 K HA 0.605 4.926 4.320 0.000 0.000 0.266 236 K C -0.703 175.830 176.600 -0.112 0.000 0.975 236 K CA -0.754 55.513 56.287 -0.034 0.000 0.865 236 K CB 2.680 35.186 32.500 0.011 0.000 1.087 236 K HN 0.266 nan 8.250 nan 0.000 0.446 237 V N 3.699 123.564 119.914 -0.082 0.000 2.448 237 V HA 0.447 4.567 4.120 0.000 0.000 0.295 237 V C -0.467 175.568 176.094 -0.098 0.000 1.025 237 V CA -0.833 61.406 62.300 -0.102 0.000 0.859 237 V CB 1.586 33.361 31.823 -0.080 0.000 0.988 237 V HN 0.750 nan 8.190 nan 0.000 0.431 238 M N 6.760 126.285 119.600 -0.125 0.000 2.053 238 M HA 0.622 5.102 4.480 0.000 0.000 0.297 238 M C -1.647 174.582 176.300 -0.119 0.000 0.921 238 M CA -0.084 55.150 55.300 -0.110 0.000 0.918 238 M CB 0.929 33.454 32.600 -0.126 0.000 1.499 238 M HN 0.517 nan 8.290 nan 0.000 0.422 239 L N 3.374 124.534 121.223 -0.105 0.000 2.332 239 L HA 0.605 4.945 4.340 0.000 0.000 0.269 239 L C 0.884 177.692 176.870 -0.103 0.000 1.016 239 L CA -0.940 53.824 54.840 -0.127 0.000 0.809 239 L CB 1.159 43.139 42.059 -0.133 0.000 1.280 239 L HN 0.903 nan 8.230 nan 0.000 0.447 240 N N -0.617 118.011 118.700 -0.120 0.000 2.741 240 N HA -0.159 4.581 4.740 0.000 0.000 0.251 240 N C -0.761 174.709 175.510 -0.068 0.000 1.112 240 N CA 1.143 54.140 53.050 -0.088 0.000 0.750 240 N CB -0.683 37.767 38.487 -0.062 0.000 1.119 240 N HN 0.819 nan 8.380 nan 0.000 0.561 241 T N 0.157 114.664 114.554 -0.078 0.000 2.861 241 T HA 0.257 4.607 4.350 0.000 0.000 0.287 241 T C -0.862 173.806 174.700 -0.053 0.000 1.003 241 T CA -0.734 61.331 62.100 -0.060 0.000 0.977 241 T CB 2.202 71.031 68.868 -0.065 0.000 0.996 241 T HN 0.093 nan 8.240 nan 0.000 0.448 242 D N 1.029 121.403 120.400 -0.043 0.000 2.175 242 D HA 0.140 4.780 4.640 0.000 0.000 0.248 242 D C 0.990 177.263 176.300 -0.045 0.000 1.047 242 D CA -0.721 53.267 54.000 -0.021 0.000 0.883 242 D CB 1.068 41.836 40.800 -0.054 0.000 1.180 242 D HN 0.717 nan 8.370 nan 0.000 0.438 243 Y N 2.929 123.177 120.300 -0.087 0.000 2.315 243 Y HA -0.081 4.470 4.550 0.000 0.000 0.288 243 Y C 1.815 177.648 175.900 -0.112 0.000 1.154 243 Y CA 0.869 58.892 58.100 -0.128 0.000 1.229 243 Y CB -0.166 38.223 38.460 -0.118 0.000 0.980 243 Y HN 0.261 nan 8.280 nan 0.000 0.540 244 R N 0.941 120.930 120.500 -0.851 0.000 2.235 244 R HA -0.073 4.267 4.340 0.000 0.000 0.213 244 R C 1.387 177.524 176.300 -0.272 0.000 1.059 244 R CA 1.373 57.080 56.100 -0.655 0.000 0.997 244 R CB -0.218 29.703 30.300 -0.631 0.000 0.884 244 R HN 0.689 nan 8.270 nan 0.000 0.462 245 E N 0.405 120.498 120.200 -0.179 0.000 2.447 245 E HA -0.020 4.330 4.350 0.000 0.000 0.195 245 E C 1.650 178.247 176.600 -0.006 0.000 1.028 245 E CA 0.594 56.966 56.400 -0.047 0.000 0.876 245 E CB 0.185 29.877 29.700 -0.013 0.000 0.885 245 E HN 0.500 nan 8.360 nan 0.000 0.500 246 I N -3.714 116.749 120.570 -0.179 0.000 4.456 246 I HA 0.427 4.597 4.170 0.000 0.000 0.329 246 I C 2.043 177.829 176.117 -0.551 0.000 1.313 246 I CA -0.072 60.931 61.300 -0.495 0.000 1.205 246 I CB 0.506 38.267 38.000 -0.399 0.000 1.179 246 I HN -0.065 nan 8.210 nan 0.000 0.419 247 A N 1.116 123.778 122.820 -0.263 0.000 2.125 247 A HA -0.153 4.167 4.320 0.000 0.000 0.219 247 A C 1.708 179.326 177.584 0.056 0.000 1.156 247 A CA 1.866 53.840 52.037 -0.106 0.000 0.671 247 A CB -0.599 18.398 19.000 -0.005 0.000 0.794 247 A HN 0.470 nan 8.150 nan 0.000 0.459 248 D N -1.469 118.921 120.400 -0.016 0.000 2.349 248 D HA 0.082 4.722 4.640 0.000 0.000 0.215 248 D C 0.563 176.999 176.300 0.226 0.000 1.016 248 D CA 0.722 54.799 54.000 0.128 0.000 0.870 248 D CB 0.100 40.996 40.800 0.159 0.000 0.917 248 D HN 0.676 nan 8.370 nan 0.000 0.524 249 F N -1.304 118.709 119.950 0.104 0.000 2.880 249 F HA 0.411 4.939 4.527 0.000 0.000 0.328 249 F C -0.196 175.679 175.800 0.126 0.000 1.146 249 F CA -0.774 57.281 58.000 0.093 0.000 1.135 249 F CB -0.335 38.700 39.000 0.058 0.000 1.151 249 F HN -0.323 nan 8.300 nan 0.000 0.523 250 I N 2.999 123.520 120.570 -0.083 0.000 2.378 250 I HA 0.430 4.601 4.170 0.000 0.000 0.291 250 I C -2.513 173.781 176.117 0.295 0.000 0.992 250 I CA -2.224 59.129 61.300 0.090 0.000 1.154 250 I CB 1.636 39.639 38.000 0.005 0.000 1.315 250 I HN -0.211 nan 8.210 nan 0.000 0.448 251 P HA 0.144 nan 4.420 nan 0.000 0.270 251 P C -1.119 176.408 177.300 0.379 0.000 1.242 251 P CA 0.261 63.486 63.100 0.210 0.000 0.768 251 P CB -0.063 31.693 31.700 0.092 0.000 0.820 252 F N 0.435 120.440 119.950 0.091 0.000 2.581 252 F HA 0.471 4.999 4.527 0.000 0.000 0.311 252 F C 0.805 176.630 175.800 0.041 0.000 1.113 252 F CA -0.972 57.089 58.000 0.102 0.000 0.935 252 F CB 1.316 40.379 39.000 0.106 0.000 1.232 252 F HN -0.018 nan 8.300 nan 0.000 0.445 253 Q N 1.330 121.159 119.800 0.049 0.000 2.137 253 Q HA 0.038 4.378 4.340 0.000 0.000 0.198 253 Q C -0.274 175.714 176.000 -0.021 0.000 0.960 253 Q CA 1.388 57.154 55.803 -0.062 0.000 0.847 253 Q CB -0.109 28.585 28.738 -0.074 0.000 0.915 253 Q HN 0.894 nan 8.270 nan 0.000 0.448 254 H N -1.456 117.569 119.070 -0.074 0.000 2.996 254 H HA 0.547 5.103 4.556 0.000 0.000 0.368 254 H C -1.509 173.966 175.328 0.245 0.000 1.185 254 H CA -0.554 55.495 56.048 0.002 0.000 1.160 254 H CB 1.551 31.199 29.762 -0.190 0.000 1.820 254 H HN -0.022 nan 8.280 nan 0.000 0.547 255 M N 5.657 125.206 119.600 -0.085 0.000 2.321 255 M HA 0.468 4.948 4.480 0.000 0.000 0.315 255 M C -1.662 174.616 176.300 -0.037 0.000 1.052 255 M CA -0.796 54.539 55.300 0.057 0.000 0.936 255 M CB 1.003 33.667 32.600 0.107 0.000 1.639 255 M HN 0.606 nan 8.290 nan 0.000 0.433 256 I N 5.424 126.026 120.570 0.052 0.000 2.307 256 I HA 0.251 4.421 4.170 0.000 0.000 0.289 256 I C -1.395 174.617 176.117 -0.175 0.000 1.021 256 I CA -0.529 60.767 61.300 -0.006 0.000 1.224 256 I CB 0.991 39.035 38.000 0.073 0.000 1.376 256 I HN 0.602 nan 8.210 nan 0.000 0.470 257 Y N 5.882 125.890 120.300 -0.487 0.000 2.331 257 Y HA 0.337 4.887 4.550 0.000 0.000 0.338 257 Y C 1.004 176.622 175.900 -0.470 0.000 0.976 257 Y CA -0.556 57.160 58.100 -0.640 0.000 1.137 257 Y CB 1.576 39.363 38.460 -1.122 0.000 1.172 257 Y HN 0.645 nan 8.280 nan 0.000 0.478 258 T N 1.320 115.317 114.554 -0.929 0.000 3.084 258 T HA 0.378 4.728 4.350 0.000 0.000 0.270 258 T C 0.832 175.085 174.700 -0.745 0.000 1.008 258 T CA 0.179 61.908 62.100 -0.619 0.000 0.900 258 T CB -0.316 68.356 68.868 -0.326 0.000 1.084 258 T HN 0.747 nan 8.240 nan 0.000 0.538 259 G N 2.279 110.184 108.800 -1.491 0.000 2.525 259 G HA2 0.524 4.485 3.960 0.000 0.000 0.276 259 G HA3 0.524 4.485 3.960 0.000 0.000 0.276 259 G C -2.780 172.008 174.900 -0.187 0.000 1.388 259 G CA -1.430 43.199 45.100 -0.785 0.000 1.050 259 G HN 0.250 nan 8.290 nan 0.000 0.520 260 P HA 0.220 nan 4.420 nan 0.000 0.280 260 P C 0.973 178.459 177.300 0.309 0.000 1.244 260 P CA -0.524 62.660 63.100 0.141 0.000 0.784 260 P CB 1.476 33.150 31.700 -0.044 0.000 0.913 261 V N 2.430 122.532 119.914 0.314 0.000 2.307 261 V HA -0.236 3.884 4.120 0.000 0.000 0.245 261 V C 1.968 177.976 176.094 -0.145 0.000 1.045 261 V CA 2.395 64.822 62.300 0.213 0.000 1.024 261 V CB -1.372 30.623 31.823 0.286 0.000 0.651 261 V HN 0.563 nan 8.190 nan 0.000 0.449 262 D N 2.254 122.386 120.400 -0.446 0.000 2.104 262 D HA -0.207 4.433 4.640 0.000 0.000 0.194 262 D C 1.996 177.724 176.300 -0.953 0.000 0.994 262 D CA 1.907 55.383 54.000 -0.872 0.000 0.830 262 D CB -0.716 39.723 40.800 -0.602 0.000 0.959 262 D HN 0.424 nan 8.370 nan 0.000 0.452 263 A N -0.511 121.773 122.820 -0.894 0.000 2.070 263 A HA -0.050 4.270 4.320 0.000 0.000 0.220 263 A C 2.050 179.433 177.584 -0.336 0.000 1.159 263 A CA 1.082 52.625 52.037 -0.824 0.000 0.656 263 A CB -1.143 17.766 19.000 -0.151 0.000 0.800 263 A HN 0.301 nan 8.150 nan 0.000 0.453 264 F N -0.767 118.919 119.950 -0.440 0.000 2.163 264 F HA 0.067 4.594 4.527 0.000 0.000 0.297 264 F C 0.944 176.458 175.800 -0.477 0.000 1.094 264 F CA 0.923 58.582 58.000 -0.568 0.000 1.290 264 F CB -0.043 38.346 39.000 -1.020 0.000 1.017 264 F HN 0.165 nan 8.300 nan 0.000 0.483 265 F N 1.453 121.390 119.950 -0.023 0.000 2.873 265 F HA 0.157 4.684 4.527 0.000 0.000 0.289 265 F C 0.426 176.180 175.800 -0.077 0.000 1.206 265 F CA -0.412 57.564 58.000 -0.040 0.000 1.401 265 F CB -0.763 38.307 39.000 0.116 0.000 0.996 265 F HN -0.069 nan 8.300 nan 0.000 0.511 266 D N -0.110 120.277 120.400 -0.022 0.000 2.913 266 D HA -0.318 4.322 4.640 0.000 0.000 0.228 266 D C 0.454 176.959 176.300 0.342 0.000 1.180 266 D CA 1.289 55.358 54.000 0.115 0.000 0.761 266 D CB -1.529 39.331 40.800 0.100 0.000 1.085 266 D HN 0.531 nan 8.370 nan 0.000 0.420 267 F N -3.439 116.631 119.950 0.200 0.000 2.884 267 F HA -0.385 4.143 4.527 0.000 0.000 0.294 267 F C 2.350 178.291 175.800 0.234 0.000 0.723 267 F CA 0.598 58.751 58.000 0.255 0.000 1.294 267 F CB -2.640 36.462 39.000 0.171 0.000 1.551 267 F HN 0.409 nan 8.300 nan 0.000 0.363 268 C N -1.385 118.052 119.300 0.230 0.000 2.388 268 C HA -0.205 4.255 4.460 0.000 0.000 0.299 268 C C 1.874 176.905 174.990 0.069 0.000 1.390 268 C CA 1.276 60.313 59.018 0.031 0.000 1.808 268 C CB -1.334 26.279 27.740 -0.211 0.000 1.831 268 C HN 0.532 nan 8.230 nan 0.000 0.548 269 Y N 1.822 122.174 120.300 0.087 0.000 2.588 269 Y HA 0.494 5.044 4.550 0.000 0.000 0.247 269 Y C 1.340 177.312 175.900 0.119 0.000 1.157 269 Y CA -0.275 57.785 58.100 -0.067 0.000 1.215 269 Y CB -0.414 37.734 38.460 -0.520 0.000 1.245 269 Y HN 0.671 nan 8.280 nan 0.000 0.534 270 G N 0.860 109.904 108.800 0.407 0.000 2.619 270 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 270 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 270 G C -1.027 174.155 174.900 0.470 0.000 1.256 270 G CA -1.244 44.067 45.100 0.351 0.000 0.826 270 G HN 0.097 nan 8.290 nan 0.000 0.619 271 K N 0.589 121.210 120.400 0.368 0.000 2.363 271 K HA 0.415 4.735 4.320 0.000 0.000 0.289 271 K C 0.845 177.635 176.600 0.315 0.000 1.063 271 K CA -0.437 56.092 56.287 0.404 0.000 0.967 271 K CB 0.280 32.935 32.500 0.259 0.000 0.987 271 K HN 0.584 nan 8.250 nan 0.000 0.473 272 L N 7.932 129.329 121.223 0.290 0.000 2.500 272 L HA 0.163 4.503 4.340 0.000 0.000 0.272 272 L C -1.961 174.982 176.870 0.121 0.000 1.149 272 L CA -1.808 53.096 54.840 0.107 0.000 0.897 272 L CB 0.562 42.558 42.059 -0.106 0.000 1.178 272 L HN 0.608 nan 8.230 nan 0.000 0.473 273 P HA 0.060 nan 4.420 nan 0.000 0.262 273 P C -1.387 175.987 177.300 0.123 0.000 1.199 273 P CA 0.551 63.758 63.100 0.179 0.000 0.763 273 P CB 0.210 32.017 31.700 0.179 0.000 0.790 274 Y N 1.865 122.325 120.300 0.266 0.000 2.587 274 Y HA 0.644 5.195 4.550 0.000 0.000 0.337 274 Y C 0.978 176.994 175.900 0.193 0.000 1.065 274 Y CA -0.875 57.360 58.100 0.225 0.000 1.126 274 Y CB 1.766 40.323 38.460 0.162 0.000 1.279 274 Y HN 0.161 nan 8.280 nan 0.000 0.489 275 R N 0.289 121.021 120.500 0.387 0.000 2.787 275 R HA 0.753 5.093 4.340 0.000 0.000 0.271 275 R C -1.014 175.431 176.300 0.242 0.000 0.993 275 R CA -0.422 55.838 56.100 0.267 0.000 0.993 275 R CB 1.844 32.249 30.300 0.176 0.000 1.155 275 R HN 0.673 nan 8.270 nan 0.000 0.486 276 S N 1.377 117.179 115.700 0.170 0.000 2.697 276 S HA 0.761 5.231 4.470 0.000 0.000 0.289 276 S C -1.595 173.133 174.600 0.213 0.000 1.149 276 S CA -0.723 57.554 58.200 0.129 0.000 0.850 276 S CB 0.806 63.990 63.200 -0.025 0.000 1.151 276 S HN 0.404 nan 8.310 nan 0.000 0.491 277 L N 1.379 122.778 121.223 0.294 0.000 2.376 277 L HA 0.664 5.004 4.340 0.000 0.000 0.258 277 L C -0.572 176.191 176.870 -0.178 0.000 1.013 277 L CA -0.696 54.155 54.840 0.019 0.000 0.822 277 L CB 2.116 44.080 42.059 -0.159 0.000 1.388 277 L HN 0.677 nan 8.230 nan 0.000 0.413 278 E N 0.646 120.664 120.200 -0.303 0.000 2.227 278 E HA 0.618 4.968 4.350 0.000 0.000 0.268 278 E C -1.867 174.471 176.600 -0.437 0.000 0.907 278 E CA -0.597 55.648 56.400 -0.259 0.000 0.786 278 E CB 1.784 31.455 29.700 -0.048 0.000 1.191 278 E HN 0.346 nan 8.360 nan 0.000 0.411 279 F N 1.891 121.955 119.950 0.190 0.000 2.507 279 F HA 0.463 4.990 4.527 0.000 0.000 0.325 279 F C 0.220 176.051 175.800 0.052 0.000 1.116 279 F CA -0.943 57.110 58.000 0.088 0.000 0.930 279 F CB 1.687 40.680 39.000 -0.012 0.000 1.146 279 F HN 0.240 nan 8.300 nan 0.000 0.447 280 R N 3.222 123.861 120.500 0.231 0.000 2.288 280 R HA 0.328 4.668 4.340 0.000 0.000 0.326 280 R C -0.963 175.383 176.300 0.076 0.000 0.959 280 R CA -0.536 55.670 56.100 0.176 0.000 0.834 280 R CB 0.424 30.867 30.300 0.238 0.000 1.157 280 R HN 0.699 nan 8.270 nan 0.000 0.470 281 H N 2.521 121.710 119.070 0.197 0.000 2.481 281 H HA 0.253 4.809 4.556 0.000 0.000 0.339 281 H C -0.548 174.835 175.328 0.092 0.000 1.131 281 H CA -0.187 55.951 56.048 0.150 0.000 1.301 281 H CB 1.963 31.779 29.762 0.091 0.000 1.476 281 H HN 0.560 nan 8.280 nan 0.000 0.529 282 E N 0.499 120.801 120.200 0.169 0.000 2.340 282 E HA 0.321 4.671 4.350 0.000 0.000 0.273 282 E C -1.075 175.449 176.600 -0.127 0.000 0.891 282 E CA -0.646 55.744 56.400 -0.017 0.000 0.757 282 E CB 2.123 31.796 29.700 -0.044 0.000 1.231 282 E HN 0.447 nan 8.360 nan 0.000 0.439 283 T N 2.201 116.606 114.554 -0.249 0.000 2.829 283 T HA 0.447 4.797 4.350 0.000 0.000 0.280 283 T C -1.051 173.430 174.700 -0.365 0.000 0.999 283 T CA -0.768 61.197 62.100 -0.224 0.000 0.983 283 T CB 0.597 69.388 68.868 -0.128 0.000 0.968 283 T HN 0.291 nan 8.240 nan 0.000 0.446 284 H N 1.485 120.550 119.070 -0.008 0.000 2.538 284 H HA 0.253 4.809 4.556 0.000 0.000 0.353 284 H C -0.709 174.618 175.328 -0.003 0.000 1.109 284 H CA -0.767 55.284 56.048 0.005 0.000 1.192 284 H CB 1.904 31.674 29.762 0.014 0.000 1.555 284 H HN 0.548 nan 8.280 nan 0.000 0.518 285 D N 1.998 122.478 120.400 0.134 0.000 2.600 285 D HA 0.112 4.752 4.640 0.000 0.000 0.226 285 D C -0.332 176.026 176.300 0.096 0.000 1.119 285 D CA 0.452 54.509 54.000 0.095 0.000 1.051 285 D CB -0.092 40.761 40.800 0.087 0.000 1.106 285 D HN 0.519 nan 8.370 nan 0.000 0.491 286 T N 0.178 114.785 114.554 0.090 0.000 2.893 286 T HA 0.129 4.479 4.350 0.000 0.000 0.337 286 T C 0.568 175.306 174.700 0.063 0.000 1.587 286 T CA -0.570 61.573 62.100 0.072 0.000 1.066 286 T CB 1.166 70.065 68.868 0.051 0.000 1.414 286 T HN 0.097 nan 8.240 nan 0.000 0.488 287 E N 0.714 120.948 120.200 0.057 0.000 2.112 287 E HA 0.040 4.390 4.350 0.000 0.000 0.190 287 E C 0.539 177.154 176.600 0.024 0.000 0.979 287 E CA 0.536 56.966 56.400 0.050 0.000 0.814 287 E CB 0.331 30.062 29.700 0.052 0.000 0.762 287 E HN 0.498 nan 8.360 nan 0.000 0.460 288 Q N 0.279 120.095 119.800 0.026 0.000 2.271 288 Q HA 0.184 4.525 4.340 0.000 0.000 0.268 288 Q C -0.427 175.599 176.000 0.043 0.000 1.021 288 Q CA -0.237 55.586 55.803 0.033 0.000 0.802 288 Q CB 1.860 30.614 28.738 0.026 0.000 1.282 288 Q HN 0.072 nan 8.270 nan 0.000 0.431 289 L N 3.866 125.119 121.223 0.051 0.000 2.269 289 L HA 0.377 4.717 4.340 0.000 0.000 0.200 289 L C -0.304 176.568 176.870 0.003 0.000 1.069 289 L CA 0.895 55.731 54.840 -0.007 0.000 0.804 289 L CB 0.584 42.613 42.059 -0.050 0.000 0.987 289 L HN 0.592 nan 8.230 nan 0.000 0.468 290 L N 0.497 121.739 121.223 0.032 0.000 2.344 290 L HA 0.367 4.707 4.340 0.000 0.000 0.272 290 L C -1.482 175.383 176.870 -0.009 0.000 1.035 290 L CA -1.637 53.180 54.840 -0.039 0.000 0.807 290 L CB 0.675 42.641 42.059 -0.156 0.000 1.237 290 L HN -0.098 nan 8.230 nan 0.000 0.442 291 P HA -0.010 nan 4.420 nan 0.000 0.227 291 P C 0.264 177.493 177.300 -0.119 0.000 1.161 291 P CA 0.786 63.866 63.100 -0.034 0.000 0.788 291 P CB 0.276 31.951 31.700 -0.043 0.000 0.822 292 T N -5.428 108.921 114.554 -0.341 0.000 2.626 292 T HA 0.551 4.901 4.350 0.000 0.000 0.279 292 T C 1.494 175.726 174.700 -0.780 0.000 0.983 292 T CA -0.035 61.788 62.100 -0.463 0.000 1.059 292 T CB 0.579 69.287 68.868 -0.266 0.000 1.396 292 T HN -0.107 nan 8.240 nan 0.000 0.519 293 G N 0.040 108.597 108.800 -0.405 0.000 2.418 293 G HA2 0.282 4.243 3.960 0.000 0.000 0.217 293 G HA3 0.282 4.243 3.960 0.000 0.000 0.217 293 G C 0.313 175.125 174.900 -0.145 0.000 1.158 293 G CA 0.903 45.933 45.100 -0.117 0.000 0.771 293 G HN 0.868 nan 8.290 nan 0.000 0.545 294 T N -0.793 113.614 114.554 -0.246 0.000 2.993 294 T HA 0.485 4.835 4.350 0.000 0.000 0.312 294 T C -1.215 173.323 174.700 -0.269 0.000 1.115 294 T CA -0.456 61.510 62.100 -0.223 0.000 1.027 294 T CB 2.753 71.541 68.868 -0.134 0.000 1.116 294 T HN -0.052 nan 8.240 nan 0.000 0.464 295 V N 3.899 123.664 119.914 -0.248 0.000 2.417 295 V HA 0.501 4.621 4.120 0.000 0.000 0.291 295 V C -0.204 175.676 176.094 -0.356 0.000 1.024 295 V CA -0.960 61.151 62.300 -0.316 0.000 0.861 295 V CB 1.718 33.342 31.823 -0.331 0.000 0.985 295 V HN 0.732 nan 8.190 nan 0.000 0.436 296 N N 2.564 121.043 118.700 -0.369 0.000 2.508 296 N HA 0.519 5.259 4.740 0.000 0.000 0.285 296 N C -1.204 174.052 175.510 -0.422 0.000 1.144 296 N CA -0.279 52.653 53.050 -0.197 0.000 0.978 296 N CB 1.093 39.508 38.487 -0.120 0.000 1.180 296 N HN 0.579 nan 8.380 nan 0.000 0.484 297 Y N 0.840 121.251 120.300 0.185 0.000 2.749 297 Y HA 0.310 4.860 4.550 0.000 0.000 0.343 297 Y C -1.599 174.373 175.900 0.120 0.000 1.015 297 Y CA -1.533 56.639 58.100 0.121 0.000 1.270 297 Y CB 1.773 40.301 38.460 0.113 0.000 1.097 297 Y HN 0.541 nan 8.280 nan 0.000 0.571 298 P HA -0.049 nan 4.420 nan 0.000 0.221 298 P C 0.374 177.709 177.300 0.058 0.000 1.150 298 P CA 1.399 64.601 63.100 0.170 0.000 0.800 298 P CB 0.533 32.246 31.700 0.022 0.000 0.787 299 N N -1.420 117.305 118.700 0.042 0.000 2.143 299 N HA 0.105 4.845 4.740 0.000 0.000 0.222 299 N C -0.481 175.008 175.510 -0.035 0.000 1.264 299 N CA 0.206 53.248 53.050 -0.012 0.000 0.897 299 N CB 1.023 39.482 38.487 -0.047 0.000 1.092 299 N HN 0.148 nan 8.380 nan 0.000 0.516 300 D N 0.130 120.532 120.400 0.003 0.000 2.756 300 D HA 0.363 5.003 4.640 0.000 0.000 0.226 300 D C -0.477 175.704 176.300 -0.197 0.000 1.186 300 D CA -0.150 53.754 54.000 -0.159 0.000 0.845 300 D CB 2.009 42.723 40.800 -0.143 0.000 1.610 300 D HN -0.147 nan 8.370 nan 0.000 0.465 301 Y N -0.676 119.397 120.300 -0.378 0.000 2.503 301 Y HA -0.222 4.328 4.550 0.000 0.000 0.021 301 Y C 1.012 176.599 175.900 -0.522 0.000 1.699 301 Y CA 0.123 57.841 58.100 -0.638 0.000 1.421 301 Y CB -0.977 36.627 38.460 -1.426 0.000 2.066 301 Y HN 0.499 nan 8.280 nan 0.000 0.253 302 A N 0.269 122.912 122.820 -0.295 0.000 2.021 302 A HA 0.138 4.458 4.320 0.000 0.000 0.216 302 A C 0.223 177.710 177.584 -0.162 0.000 1.163 302 A CA 1.181 53.162 52.037 -0.094 0.000 0.676 302 A CB -0.535 18.567 19.000 0.170 0.000 0.818 302 A HN 0.660 nan 8.150 nan 0.000 0.453 303 Y N -1.216 118.924 120.300 -0.267 0.000 2.301 303 Y HA 0.473 5.023 4.550 0.000 0.000 0.328 303 Y C 1.496 177.279 175.900 -0.196 0.000 1.242 303 Y CA -0.370 57.435 58.100 -0.493 0.000 1.323 303 Y CB -0.131 37.856 38.460 -0.788 0.000 1.266 303 Y HN 0.059 nan 8.280 nan 0.000 0.527 304 T N -0.262 114.275 114.554 -0.028 0.000 2.851 304 T HA 0.157 4.507 4.350 0.000 0.000 0.262 304 T C 0.115 174.957 174.700 0.236 0.000 1.043 304 T CA 0.970 63.018 62.100 -0.087 0.000 1.140 304 T CB -0.281 68.395 68.868 -0.320 0.000 0.872 304 T HN 0.818 nan 8.240 nan 0.000 0.446 305 R N -0.449 120.214 120.500 0.271 0.000 2.712 305 R HA 0.680 5.020 4.340 0.000 0.000 0.272 305 R C -2.183 174.138 176.300 0.034 0.000 1.032 305 R CA -1.070 55.191 56.100 0.267 0.000 0.874 305 R CB 1.325 31.711 30.300 0.144 0.000 1.256 305 R HN 0.031 nan 8.270 nan 0.000 0.468 306 V N 0.362 120.225 119.914 -0.085 0.000 2.628 306 V HA 0.797 4.917 4.120 0.000 0.000 0.306 306 V C -0.505 175.381 176.094 -0.347 0.000 1.045 306 V CA -0.764 61.271 62.300 -0.442 0.000 0.905 306 V CB 1.904 33.360 31.823 -0.611 0.000 0.997 306 V HN 0.835 nan 8.190 nan 0.000 0.436 307 S N 2.223 117.663 115.700 -0.434 0.000 2.548 307 S HA 0.603 5.073 4.470 0.000 0.000 0.286 307 S C -0.790 173.484 174.600 -0.543 0.000 1.098 307 S CA -0.736 57.209 58.200 -0.424 0.000 0.930 307 S CB 2.141 65.075 63.200 -0.443 0.000 1.070 307 S HN 0.880 nan 8.310 nan 0.000 0.480 308 E N 1.327 121.286 120.200 -0.401 0.000 2.186 308 E HA 0.366 4.716 4.350 0.000 0.000 0.255 308 E C -0.440 176.047 176.600 -0.189 0.000 0.881 308 E CA -0.480 55.772 56.400 -0.246 0.000 0.752 308 E CB 0.384 30.102 29.700 0.029 0.000 1.176 308 E HN 0.586 nan 8.360 nan 0.000 0.421 309 F N 3.172 123.082 119.950 -0.066 0.000 2.161 309 F HA -0.161 4.366 4.527 0.000 0.000 0.300 309 F C 2.009 177.738 175.800 -0.118 0.000 1.089 309 F CA 0.977 58.884 58.000 -0.155 0.000 1.282 309 F CB 0.015 38.865 39.000 -0.250 0.000 1.010 309 F HN 0.445 nan 8.300 nan 0.000 0.485 310 K N -0.616 119.824 120.400 0.067 0.000 2.152 310 K HA -0.185 4.136 4.320 0.000 0.000 0.206 310 K C 1.792 178.355 176.600 -0.063 0.000 1.048 310 K CA 1.180 57.457 56.287 -0.016 0.000 0.933 310 K CB -0.350 32.120 32.500 -0.050 0.000 0.721 310 K HN 0.411 nan 8.250 nan 0.000 0.447 311 H N 0.044 119.096 119.070 -0.030 0.000 2.421 311 H HA -0.064 4.492 4.556 0.000 0.000 0.298 311 H C 2.056 177.273 175.328 -0.185 0.000 1.087 311 H CA 1.346 57.398 56.048 0.006 0.000 1.330 311 H CB 0.094 29.906 29.762 0.083 0.000 1.388 311 H HN 0.180 nan 8.280 nan 0.000 0.526 312 I N 0.286 120.747 120.570 -0.182 0.000 2.400 312 I HA -0.148 4.022 4.170 0.000 0.000 0.248 312 I C 2.565 178.406 176.117 -0.461 0.000 1.109 312 I CA 1.371 62.283 61.300 -0.648 0.000 1.425 312 I CB -0.046 37.811 38.000 -0.238 0.000 1.094 312 I HN 0.215 nan 8.210 nan 0.000 0.425 313 T N -2.257 112.193 114.554 -0.173 0.000 3.054 313 T HA 0.221 4.571 4.350 0.000 0.000 0.259 313 T C 1.730 176.387 174.700 -0.071 0.000 1.092 313 T CA 0.563 62.607 62.100 -0.092 0.000 1.121 313 T CB 0.246 69.080 68.868 -0.057 0.000 0.912 313 T HN 0.486 nan 8.240 nan 0.000 0.489 314 G N 1.194 109.952 108.800 -0.071 0.000 2.184 314 G HA2 -0.321 3.639 3.960 0.000 0.000 0.264 314 G HA3 -0.321 3.639 3.960 0.000 0.000 0.264 314 G C -0.062 174.841 174.900 0.004 0.000 0.975 314 G CA 0.311 45.399 45.100 -0.019 0.000 0.642 314 G HN 0.928 nan 8.290 nan 0.000 0.536 315 Q N 0.189 119.993 119.800 0.007 0.000 2.300 315 Q HA 0.365 4.705 4.340 0.000 0.000 0.280 315 Q C 0.705 176.745 176.000 0.068 0.000 1.033 315 Q CA -0.245 55.588 55.803 0.051 0.000 0.903 315 Q CB 0.336 29.112 28.738 0.064 0.000 1.195 315 Q HN 0.508 nan 8.270 nan 0.000 0.386 316 R N 3.057 123.609 120.500 0.087 0.000 2.357 316 R HA 0.246 4.586 4.340 0.000 0.000 0.296 316 R C -1.271 175.130 176.300 0.167 0.000 1.052 316 R CA -0.117 56.040 56.100 0.095 0.000 0.988 316 R CB 0.691 31.029 30.300 0.064 0.000 1.025 316 R HN 0.716 nan 8.270 nan 0.000 0.469 317 H N 2.455 121.562 119.070 0.061 0.000 3.094 317 H HA 0.072 4.628 4.556 0.000 0.000 0.335 317 H C -0.036 175.338 175.328 0.077 0.000 1.254 317 H CA -0.566 55.531 56.048 0.082 0.000 1.240 317 H CB 0.948 30.709 29.762 -0.001 0.000 1.936 317 H HN 0.934 nan 8.280 nan 0.000 0.536 318 H N 1.339 120.546 119.070 0.229 0.000 2.470 318 H HA 0.134 4.690 4.556 0.000 0.000 0.289 318 H C -0.064 175.405 175.328 0.235 0.000 1.033 318 H CA 0.290 56.443 56.048 0.174 0.000 1.331 318 H CB 0.812 30.614 29.762 0.066 0.000 1.414 318 H HN 0.419 nan 8.280 nan 0.000 0.545 319 Q N 0.138 119.974 119.800 0.059 0.000 2.699 319 Q HA 0.524 4.864 4.340 0.000 0.000 0.240 319 Q C -0.603 175.317 176.000 -0.133 0.000 1.033 319 Q CA -0.844 54.916 55.803 -0.072 0.000 0.938 319 Q CB 2.182 30.806 28.738 -0.191 0.000 1.312 319 Q HN 0.136 nan 8.270 nan 0.000 0.507 320 T N -0.343 114.148 114.554 -0.105 0.000 2.923 320 T HA 0.455 4.805 4.350 0.000 0.000 0.311 320 T C -1.496 173.182 174.700 -0.038 0.000 1.183 320 T CA -0.438 61.616 62.100 -0.076 0.000 1.020 320 T CB 1.550 70.426 68.868 0.014 0.000 1.165 320 T HN 0.432 nan 8.240 nan 0.000 0.482 321 S N 1.940 117.629 115.700 -0.019 0.000 2.482 321 S HA 0.787 5.257 4.470 0.000 0.000 0.303 321 S C -0.201 174.473 174.600 0.124 0.000 1.091 321 S CA -0.668 57.564 58.200 0.054 0.000 1.057 321 S CB 1.385 64.613 63.200 0.047 0.000 1.031 321 S HN 0.876 nan 8.310 nan 0.000 0.485 322 V N 0.768 120.742 119.914 0.100 0.000 3.126 322 V HA 0.967 5.087 4.120 0.000 0.000 0.314 322 V C -0.628 175.453 176.094 -0.021 0.000 1.138 322 V CA -0.746 61.516 62.300 -0.063 0.000 1.034 322 V CB 1.757 33.510 31.823 -0.117 0.000 1.075 322 V HN 0.599 nan 8.190 nan 0.000 0.442 323 V N 1.589 121.344 119.914 -0.265 0.000 2.876 323 V HA 0.694 4.814 4.120 0.000 0.000 0.312 323 V C -1.772 174.082 176.094 -0.401 0.000 1.085 323 V CA -0.511 61.661 62.300 -0.213 0.000 0.945 323 V CB 2.295 34.044 31.823 -0.123 0.000 1.017 323 V HN 0.901 nan 8.190 nan 0.000 0.428 324 Y N 3.353 123.550 120.300 -0.171 0.000 2.341 324 Y HA 0.540 5.091 4.550 0.000 0.000 0.338 324 Y C 0.326 176.147 175.900 -0.131 0.000 0.965 324 Y CA -0.491 57.439 58.100 -0.283 0.000 1.108 324 Y CB 1.739 39.904 38.460 -0.493 0.000 1.180 324 Y HN 0.576 nan 8.280 nan 0.000 0.458 325 E N 3.274 123.459 120.200 -0.024 0.000 2.146 325 E HA 0.253 4.603 4.350 0.000 0.000 0.282 325 E C -1.558 174.970 176.600 -0.120 0.000 0.989 325 E CA -0.598 55.807 56.400 0.008 0.000 0.799 325 E CB 0.912 30.653 29.700 0.068 0.000 1.088 325 E HN 0.482 nan 8.360 nan 0.000 0.397 326 Y N 3.413 123.697 120.300 -0.027 0.000 2.328 326 Y HA 0.282 4.832 4.550 0.000 0.000 0.337 326 Y C -2.159 173.698 175.900 -0.072 0.000 0.966 326 Y CA -2.872 55.223 58.100 -0.009 0.000 1.136 326 Y CB 1.086 39.549 38.460 0.005 0.000 1.170 326 Y HN 0.425 nan 8.280 nan 0.000 0.470 327 P HA 0.308 nan 4.420 nan 0.000 0.275 327 P C -0.460 176.861 177.300 0.036 0.000 1.228 327 P CA -0.348 62.749 63.100 -0.004 0.000 0.786 327 P CB 0.913 32.556 31.700 -0.094 0.000 0.927 328 R N 0.904 121.424 120.500 0.034 0.000 2.739 328 R HA 0.588 4.928 4.340 0.000 0.000 0.271 328 R C 0.232 176.563 176.300 0.052 0.000 1.010 328 R CA -0.893 55.231 56.100 0.040 0.000 0.897 328 R CB 1.622 31.941 30.300 0.032 0.000 1.236 328 R HN 0.407 nan 8.270 nan 0.000 0.466 329 A N 0.526 123.379 122.820 0.054 0.000 2.195 329 A HA 0.154 4.474 4.320 0.000 0.000 0.210 329 A C 0.153 177.780 177.584 0.072 0.000 1.165 329 A CA 0.797 52.879 52.037 0.074 0.000 0.806 329 A CB 0.261 19.304 19.000 0.072 0.000 0.847 329 A HN 0.560 nan 8.150 nan 0.000 0.482 330 E N -2.054 118.174 120.200 0.047 0.000 2.317 330 E HA 0.567 4.917 4.350 0.000 0.000 0.270 330 E C -0.030 176.574 176.600 0.007 0.000 0.885 330 E CA 0.484 56.904 56.400 0.033 0.000 0.760 330 E CB 2.105 31.820 29.700 0.027 0.000 1.227 330 E HN 0.702 nan 8.360 nan 0.000 0.434 331 G N 1.993 110.786 108.800 -0.013 0.000 2.343 331 G HA2 -0.086 3.874 3.960 0.000 0.000 0.562 331 G HA3 -0.086 3.874 3.960 0.000 0.000 0.562 331 G C -1.425 173.389 174.900 -0.143 0.000 1.269 331 G CA -0.954 44.116 45.100 -0.050 0.000 1.011 331 G HN 0.512 nan 8.290 nan 0.000 0.498 332 D N 2.348 122.609 120.400 -0.231 0.000 2.586 332 D HA 0.299 4.939 4.640 0.000 0.000 0.234 332 D C -1.687 174.193 176.300 -0.700 0.000 1.132 332 D CA 0.258 54.005 54.000 -0.422 0.000 0.860 332 D CB 0.787 41.324 40.800 -0.440 0.000 1.159 332 D HN 0.299 nan 8.370 nan 0.000 0.490 333 P HA 0.029 nan 4.420 nan 0.000 0.276 333 P C -0.359 176.716 177.300 -0.375 0.000 1.264 333 P CA 0.225 63.066 63.100 -0.432 0.000 0.769 333 P CB 0.254 31.511 31.700 -0.738 0.000 0.840 334 Y N 1.698 121.944 120.300 -0.089 0.000 2.638 334 Y HA 0.187 4.737 4.550 0.000 0.000 0.275 334 Y C 0.497 176.139 175.900 -0.430 0.000 1.122 334 Y CA -0.243 57.696 58.100 -0.268 0.000 1.266 334 Y CB 0.518 38.782 38.460 -0.327 0.000 1.317 334 Y HN 0.206 nan 8.280 nan 0.000 0.501 335 Y N 0.962 121.365 120.300 0.171 0.000 2.391 335 Y HA 0.408 4.959 4.550 0.000 0.000 0.341 335 Y C -2.601 173.385 175.900 0.143 0.000 0.965 335 Y CA -3.191 54.923 58.100 0.024 0.000 1.067 335 Y CB 1.234 39.586 38.460 -0.181 0.000 1.199 335 Y HN -0.197 nan 8.280 nan 0.000 0.450 336 P HA 0.054 nan 4.420 nan 0.000 0.270 336 P C -0.818 176.427 177.300 -0.091 0.000 1.223 336 P CA -0.220 62.624 63.100 -0.427 0.000 0.785 336 P CB 0.740 31.946 31.700 -0.823 0.000 0.923 337 V N 3.200 123.030 119.914 -0.141 0.000 2.239 337 V HA 0.230 4.350 4.120 0.000 0.000 0.267 337 V C -2.224 173.831 176.094 -0.066 0.000 1.056 337 V CA -1.833 60.477 62.300 0.018 0.000 0.830 337 V CB 0.624 32.545 31.823 0.163 0.000 1.090 337 V HN 0.475 nan 8.190 nan 0.000 0.459 338 P HA 0.252 nan 4.420 nan 0.000 0.267 338 P C -0.207 177.052 177.300 -0.067 0.000 1.328 338 P CA 0.199 63.254 63.100 -0.075 0.000 0.990 338 P CB 0.073 31.733 31.700 -0.067 0.000 1.168 339 R N 2.919 123.426 120.500 0.011 0.000 2.680 339 R HA 0.456 4.796 4.340 0.000 0.000 0.269 339 R C -2.759 173.567 176.300 0.044 0.000 1.026 339 R CA -2.024 54.080 56.100 0.007 0.000 0.889 339 R CB 0.252 30.548 30.300 -0.007 0.000 1.241 339 R HN -0.103 nan 8.270 nan 0.000 0.463 340 P HA -0.303 nan 4.420 nan 0.000 0.216 340 P C 0.947 178.274 177.300 0.045 0.000 1.157 340 P CA 1.918 65.039 63.100 0.036 0.000 0.880 340 P CB 0.091 31.803 31.700 0.020 0.000 0.791 341 E N -1.050 119.175 120.200 0.042 0.000 2.208 341 E HA -0.167 4.183 4.350 0.000 0.000 0.193 341 E C 1.323 177.959 176.600 0.061 0.000 0.988 341 E CA 0.995 57.421 56.400 0.043 0.000 0.828 341 E CB -0.583 29.140 29.700 0.039 0.000 0.763 341 E HN 0.161 nan 8.360 nan 0.000 0.478 342 N N 1.223 119.975 118.700 0.087 0.000 2.333 342 N HA 0.017 4.757 4.740 0.000 0.000 0.178 342 N C 1.764 177.350 175.510 0.126 0.000 1.018 342 N CA 1.317 54.435 53.050 0.112 0.000 0.882 342 N CB -0.280 38.321 38.487 0.190 0.000 0.984 342 N HN 0.305 nan 8.380 nan 0.000 0.434 343 A N 1.058 123.968 122.820 0.150 0.000 1.933 343 A HA -0.177 4.143 4.320 0.000 0.000 0.218 343 A C 2.197 179.861 177.584 0.135 0.000 1.175 343 A CA 1.683 53.828 52.037 0.181 0.000 0.628 343 A CB -0.493 18.591 19.000 0.141 0.000 0.814 343 A HN 0.353 nan 8.150 nan 0.000 0.444 344 E N -0.065 120.178 120.200 0.072 0.000 2.017 344 E HA -0.165 4.185 4.350 0.000 0.000 0.193 344 E C 1.908 178.508 176.600 0.001 0.000 0.997 344 E CA 1.289 57.701 56.400 0.021 0.000 0.804 344 E CB -0.377 29.324 29.700 0.002 0.000 0.757 344 E HN 0.507 nan 8.360 nan 0.000 0.448 345 L N 0.014 121.252 121.223 0.024 0.000 2.021 345 L HA -0.258 4.082 4.340 0.000 0.000 0.215 345 L C 2.429 179.354 176.870 0.091 0.000 1.074 345 L CA 1.942 56.805 54.840 0.038 0.000 0.760 345 L CB -0.453 41.659 42.059 0.087 0.000 0.889 345 L HN 0.385 nan 8.230 nan 0.000 0.433 346 Y N 0.860 121.129 120.300 -0.053 0.000 2.070 346 Y HA -0.315 4.235 4.550 0.000 0.000 0.280 346 Y C 2.529 178.455 175.900 0.044 0.000 1.148 346 Y CA 1.840 59.903 58.100 -0.061 0.000 1.125 346 Y CB -0.425 37.889 38.460 -0.244 0.000 0.975 346 Y HN 0.055 nan 8.280 nan 0.000 0.492 347 K N 0.416 120.656 120.400 -0.267 0.000 2.127 347 K HA -0.258 4.062 4.320 0.000 0.000 0.208 347 K C 2.100 178.513 176.600 -0.311 0.000 1.047 347 K CA 1.971 58.044 56.287 -0.356 0.000 0.927 347 K CB -0.223 32.193 32.500 -0.139 0.000 0.716 347 K HN 0.398 nan 8.250 nan 0.000 0.450 348 K N 0.151 120.408 120.400 -0.238 0.000 2.001 348 K HA -0.210 4.110 4.320 0.000 0.000 0.214 348 K C 2.241 178.757 176.600 -0.139 0.000 1.050 348 K CA 1.992 58.114 56.287 -0.274 0.000 0.934 348 K CB -0.467 31.744 32.500 -0.482 0.000 0.718 348 K HN 0.230 nan 8.250 nan 0.000 0.443 349 Y N 1.196 121.483 120.300 -0.023 0.000 2.128 349 Y HA -0.257 4.294 4.550 0.000 0.000 0.284 349 Y C 2.652 178.375 175.900 -0.296 0.000 1.154 349 Y CA 1.617 59.659 58.100 -0.097 0.000 1.149 349 Y CB -0.346 38.159 38.460 0.074 0.000 0.976 349 Y HN 0.280 nan 8.280 nan 0.000 0.505 350 E N 0.268 120.246 120.200 -0.369 0.000 2.108 350 E HA -0.358 3.992 4.350 0.000 0.000 0.203 350 E C 2.296 178.743 176.600 -0.255 0.000 1.022 350 E CA 1.476 57.622 56.400 -0.422 0.000 0.823 350 E CB -0.295 29.017 29.700 -0.648 0.000 0.744 350 E HN 0.457 nan 8.360 nan 0.000 0.456 351 A N 0.918 123.599 122.820 -0.232 0.000 1.859 351 A HA -0.226 4.094 4.320 0.000 0.000 0.217 351 A C 2.250 179.717 177.584 -0.195 0.000 1.198 351 A CA 1.891 53.823 52.037 -0.174 0.000 0.629 351 A CB -0.960 17.948 19.000 -0.155 0.000 0.830 351 A HN 0.357 nan 8.150 nan 0.000 0.446 352 L N -0.997 120.034 121.223 -0.319 0.000 2.079 352 L HA -0.227 4.113 4.340 0.000 0.000 0.210 352 L C 3.014 179.713 176.870 -0.284 0.000 1.081 352 L CA 1.226 55.766 54.840 -0.500 0.000 0.752 352 L CB -0.750 40.577 42.059 -1.221 0.000 0.896 352 L HN 0.474 nan 8.230 nan 0.000 0.433 353 A N -0.431 122.253 122.820 -0.227 0.000 1.968 353 A HA -0.170 4.150 4.320 0.000 0.000 0.217 353 A C 1.940 179.458 177.584 -0.109 0.000 1.169 353 A CA 1.460 53.351 52.037 -0.243 0.000 0.638 353 A CB -0.339 18.080 19.000 -0.968 0.000 0.812 353 A HN 0.331 nan 8.150 nan 0.000 0.446 354 D N 0.173 120.521 120.400 -0.086 0.000 2.178 354 D HA -0.018 4.622 4.640 0.000 0.000 0.202 354 D C 2.143 178.468 176.300 0.041 0.000 0.974 354 D CA 1.269 55.270 54.000 0.001 0.000 0.841 354 D CB -0.180 40.609 40.800 -0.019 0.000 0.953 354 D HN 0.435 nan 8.370 nan 0.000 0.478 355 A N 1.297 124.128 122.820 0.019 0.000 1.929 355 A HA 0.155 4.475 4.320 0.000 0.000 0.216 355 A C 1.457 179.112 177.584 0.118 0.000 1.176 355 A CA 0.835 52.899 52.037 0.045 0.000 0.628 355 A CB -0.574 18.425 19.000 -0.001 0.000 0.816 355 A HN 0.202 nan 8.150 nan 0.000 0.444 356 A N 0.444 123.385 122.820 0.201 0.000 2.592 356 A HA 0.063 4.383 4.320 0.000 0.000 0.250 356 A C 1.222 178.932 177.584 0.210 0.000 1.017 356 A CA 0.366 52.580 52.037 0.295 0.000 0.794 356 A CB 0.050 19.331 19.000 0.467 0.000 0.917 356 A HN 0.547 nan 8.150 nan 0.000 0.515 357 Q N 1.984 121.888 119.800 0.173 0.000 1.856 357 Q HA -0.147 4.193 4.340 0.000 0.000 0.233 357 Q C -0.084 176.001 176.000 0.141 0.000 0.995 357 Q CA 2.030 57.911 55.803 0.130 0.000 0.877 357 Q CB -0.277 28.517 28.738 0.094 0.000 0.937 357 Q HN 0.923 nan 8.270 nan 0.000 0.423 358 D N -0.048 120.402 120.400 0.084 0.000 2.736 358 D HA 0.297 4.937 4.640 0.000 0.000 0.293 358 D C -1.281 174.796 176.300 -0.371 0.000 1.241 358 D CA -0.005 53.984 54.000 -0.018 0.000 0.965 358 D CB 0.831 41.657 40.800 0.044 0.000 0.992 358 D HN -0.161 nan 8.370 nan 0.000 0.510 359 V N 1.258 121.075 119.914 -0.162 0.000 2.559 359 V HA 0.251 4.371 4.120 0.000 0.000 0.289 359 V C -0.084 176.060 176.094 0.084 0.000 1.036 359 V CA -0.770 61.430 62.300 -0.167 0.000 0.887 359 V CB 1.886 33.686 31.823 -0.038 0.000 1.022 359 V HN 0.240 nan 8.190 nan 0.000 0.442 360 T N 5.482 120.115 114.554 0.131 0.000 2.743 360 T HA 0.561 4.911 4.350 0.000 0.000 0.293 360 T C -0.375 174.404 174.700 0.130 0.000 0.945 360 T CA 0.011 62.284 62.100 0.289 0.000 1.030 360 T CB 0.229 69.315 68.868 0.364 0.000 0.912 360 T HN 0.250 nan 8.240 nan 0.000 0.483 361 F N 2.979 122.971 119.950 0.069 0.000 2.424 361 F HA 0.535 5.062 4.527 0.000 0.000 0.356 361 F C 0.391 176.254 175.800 0.104 0.000 1.110 361 F CA -0.781 57.260 58.000 0.068 0.000 1.161 361 F CB 0.895 39.946 39.000 0.086 0.000 1.115 361 F HN 0.234 nan 8.300 nan 0.000 0.507 362 V N 3.231 123.247 119.914 0.170 0.000 2.808 362 V HA 0.952 5.072 4.120 0.000 0.000 0.308 362 V C -0.453 175.708 176.094 0.111 0.000 1.099 362 V CA 0.208 62.604 62.300 0.160 0.000 0.920 362 V CB 1.402 33.300 31.823 0.125 0.000 1.014 362 V HN 1.106 nan 8.190 nan 0.000 0.425 363 G N 5.031 113.936 108.800 0.175 0.000 2.357 363 G HA2 -0.017 3.944 3.960 0.000 0.000 0.643 363 G HA3 -0.017 3.944 3.960 0.000 0.000 0.643 363 G C 0.021 175.030 174.900 0.182 0.000 1.358 363 G CA 0.112 45.310 45.100 0.163 0.000 0.986 363 G HN 1.281 nan 8.290 nan 0.000 0.620 364 R N -0.312 120.299 120.500 0.184 0.000 2.083 364 R HA -0.016 4.324 4.340 0.000 0.000 0.237 364 R C 2.248 178.611 176.300 0.105 0.000 1.137 364 R CA 2.267 58.448 56.100 0.136 0.000 0.951 364 R CB -0.392 30.009 30.300 0.168 0.000 0.851 364 R HN 0.537 nan 8.270 nan 0.000 0.434 365 L N 0.119 121.401 121.223 0.097 0.000 2.023 365 L HA 0.013 4.353 4.340 0.000 0.000 0.205 365 L C 2.754 179.765 176.870 0.234 0.000 1.073 365 L CA 1.129 56.050 54.840 0.135 0.000 0.745 365 L CB -0.601 41.423 42.059 -0.058 0.000 0.900 365 L HN 0.316 nan 8.230 nan 0.000 0.435 366 A N -0.292 122.627 122.820 0.164 0.000 2.125 366 A HA -0.145 4.175 4.320 0.000 0.000 0.219 366 A C 2.051 179.864 177.584 0.382 0.000 1.156 366 A CA 1.940 54.163 52.037 0.311 0.000 0.671 366 A CB -0.710 18.415 19.000 0.207 0.000 0.794 366 A HN 0.552 nan 8.150 nan 0.000 0.459 367 T N -7.812 106.890 114.554 0.246 0.000 3.091 367 T HA 0.207 4.557 4.350 0.000 0.000 0.277 367 T C 0.268 174.916 174.700 -0.086 0.000 0.996 367 T CA 0.178 62.389 62.100 0.185 0.000 0.897 367 T CB -0.371 68.601 68.868 0.174 0.000 1.109 367 T HN 0.667 nan 8.240 nan 0.000 0.534 368 Y N 1.790 121.961 120.300 -0.215 0.000 3.078 368 Y HA -0.233 4.317 4.550 0.000 0.000 0.202 368 Y C -0.182 175.522 175.900 -0.328 0.000 1.322 368 Y CA 0.068 57.957 58.100 -0.351 0.000 1.118 368 Y CB -1.688 36.246 38.460 -0.878 0.000 1.343 368 Y HN 0.446 nan 8.280 nan 0.000 0.499 369 R N 1.238 121.566 120.500 -0.287 0.000 2.575 369 R HA 0.285 4.625 4.340 0.000 0.000 0.293 369 R C -0.867 175.328 176.300 -0.174 0.000 0.983 369 R CA -1.036 54.822 56.100 -0.404 0.000 0.887 369 R CB 0.785 30.484 30.300 -1.001 0.000 1.184 369 R HN 0.162 nan 8.270 nan 0.000 0.445 370 Y N 4.483 124.705 120.300 -0.130 0.000 2.758 370 Y HA 0.061 4.612 4.550 0.000 0.000 0.351 370 Y C -0.979 175.053 175.900 0.220 0.000 1.214 370 Y CA -0.416 57.746 58.100 0.102 0.000 1.983 370 Y CB -0.448 38.111 38.460 0.164 0.000 2.062 370 Y HN 0.379 nan 8.280 nan 0.000 0.416 371 Y N 1.407 121.901 120.300 0.323 0.000 2.310 371 Y HA 0.226 4.776 4.550 0.000 0.000 0.326 371 Y C 0.729 176.754 175.900 0.209 0.000 1.151 371 Y CA -1.337 56.886 58.100 0.205 0.000 1.195 371 Y CB 0.591 39.137 38.460 0.143 0.000 1.210 371 Y HN 0.300 nan 8.280 nan 0.000 0.483 372 N N 1.848 120.712 118.700 0.273 0.000 2.408 372 N HA 0.198 4.938 4.740 0.000 0.000 0.260 372 N C 1.277 176.814 175.510 0.046 0.000 1.242 372 N CA -0.315 52.821 53.050 0.144 0.000 0.959 372 N CB 0.540 39.029 38.487 0.003 0.000 1.201 372 N HN 0.662 nan 8.380 nan 0.000 0.511 373 M N 0.286 119.903 119.600 0.027 0.000 2.106 373 M HA -0.222 4.258 4.480 0.000 0.000 0.259 373 M C 1.349 177.517 176.300 -0.220 0.000 1.068 373 M CA 1.651 56.931 55.300 -0.034 0.000 1.100 373 M CB -0.237 32.431 32.600 0.113 0.000 1.351 373 M HN 0.590 nan 8.290 nan 0.000 0.404 374 D N -0.511 119.737 120.400 -0.253 0.000 2.123 374 D HA -0.194 4.446 4.640 0.000 0.000 0.200 374 D C 1.663 177.836 176.300 -0.212 0.000 0.976 374 D CA 1.288 55.158 54.000 -0.217 0.000 0.831 374 D CB -0.771 39.785 40.800 -0.407 0.000 0.974 374 D HN 0.472 nan 8.370 nan 0.000 0.469 375 Q N 0.399 120.040 119.800 -0.264 0.000 2.152 375 Q HA -0.103 4.237 4.340 0.000 0.000 0.206 375 Q C 2.612 178.387 176.000 -0.375 0.000 0.985 375 Q CA 1.288 56.866 55.803 -0.375 0.000 0.863 375 Q CB -0.027 28.397 28.738 -0.524 0.000 0.904 375 Q HN 0.216 nan 8.270 nan 0.000 0.422 376 V N 0.002 119.802 119.914 -0.191 0.000 2.358 376 V HA -0.212 3.908 4.120 0.000 0.000 0.246 376 V C 2.207 178.280 176.094 -0.035 0.000 1.047 376 V CA 1.330 63.613 62.300 -0.028 0.000 1.035 376 V CB -0.345 31.560 31.823 0.137 0.000 0.658 376 V HN 0.190 nan 8.190 nan 0.000 0.452 377 V N 0.454 120.312 119.914 -0.094 0.000 2.332 377 V HA -0.284 3.836 4.120 0.000 0.000 0.248 377 V C 2.713 178.736 176.094 -0.117 0.000 1.055 377 V CA 2.070 64.319 62.300 -0.085 0.000 1.038 377 V CB -1.237 30.533 31.823 -0.089 0.000 0.651 377 V HN 0.560 nan 8.190 nan 0.000 0.450 378 A N -0.935 121.808 122.820 -0.128 0.000 1.865 378 A HA -0.326 3.995 4.320 0.000 0.000 0.217 378 A C 2.265 179.796 177.584 -0.088 0.000 1.191 378 A CA 2.187 54.153 52.037 -0.120 0.000 0.623 378 A CB -0.639 18.277 19.000 -0.140 0.000 0.826 378 A HN 0.566 nan 8.150 nan 0.000 0.444 379 Q N -0.947 118.795 119.800 -0.097 0.000 2.170 379 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 379 Q C 2.171 178.194 176.000 0.037 0.000 0.976 379 Q CA 1.324 57.121 55.803 -0.009 0.000 0.858 379 Q CB -0.247 28.521 28.738 0.051 0.000 0.907 379 Q HN 0.672 nan 8.270 nan 0.000 0.433 380 A N 0.153 122.980 122.820 0.013 0.000 1.898 380 A HA -0.064 4.256 4.320 0.000 0.000 0.214 380 A C 1.957 179.549 177.584 0.013 0.000 1.183 380 A CA 0.557 52.609 52.037 0.025 0.000 0.622 380 A CB -0.448 18.561 19.000 0.016 0.000 0.824 380 A HN 0.362 nan 8.150 nan 0.000 0.444 381 L N -0.531 120.659 121.223 -0.055 0.000 2.046 381 L HA -0.190 4.150 4.340 0.000 0.000 0.208 381 L C 3.071 179.985 176.870 0.073 0.000 1.077 381 L CA 1.084 55.901 54.840 -0.038 0.000 0.747 381 L CB -0.498 41.464 42.059 -0.163 0.000 0.896 381 L HN 0.432 nan 8.230 nan 0.000 0.432 382 A N -0.593 122.247 122.820 0.034 0.000 1.898 382 A HA -0.191 4.129 4.320 0.000 0.000 0.216 382 A C 2.360 179.981 177.584 0.062 0.000 1.181 382 A CA 2.257 54.318 52.037 0.040 0.000 0.620 382 A CB -0.903 18.115 19.000 0.029 0.000 0.819 382 A HN 0.359 nan 8.150 nan 0.000 0.442 383 T N -0.661 113.946 114.554 0.089 0.000 2.833 383 T HA -0.121 4.229 4.350 0.000 0.000 0.269 383 T C 1.552 176.327 174.700 0.125 0.000 1.054 383 T CA 1.513 63.677 62.100 0.107 0.000 1.135 383 T CB -0.372 68.571 68.868 0.125 0.000 0.869 383 T HN 0.495 nan 8.240 nan 0.000 0.466 384 F N 2.256 122.193 119.950 -0.021 0.000 2.102 384 F HA -0.009 4.518 4.527 0.000 0.000 0.298 384 F C 2.336 178.123 175.800 -0.020 0.000 1.105 384 F CA 1.115 59.092 58.000 -0.040 0.000 1.239 384 F CB -0.384 38.580 39.000 -0.060 0.000 0.991 384 F HN -0.078 nan 8.300 nan 0.000 0.474 385 R N 0.020 120.392 120.500 -0.214 0.000 2.091 385 R HA -0.174 4.166 4.340 0.000 0.000 0.238 385 R C 2.487 178.665 176.300 -0.203 0.000 1.136 385 R CA 1.785 57.709 56.100 -0.294 0.000 0.959 385 R CB -0.372 29.858 30.300 -0.118 0.000 0.856 385 R HN 0.283 nan 8.270 nan 0.000 0.437 386 R N 0.053 120.498 120.500 -0.090 0.000 2.091 386 R HA -0.130 4.210 4.340 0.000 0.000 0.238 386 R C 1.330 177.594 176.300 -0.060 0.000 1.136 386 R CA 1.029 57.102 56.100 -0.045 0.000 0.959 386 R CB -0.277 30.031 30.300 0.014 0.000 0.856 386 R HN 0.075 nan 8.270 nan 0.000 0.437 387 L N 1.231 122.413 121.223 -0.069 0.000 2.762 387 L HA -0.036 4.304 4.340 0.000 0.000 0.250 387 L C 0.864 177.669 176.870 -0.108 0.000 1.160 387 L CA 1.422 56.234 54.840 -0.046 0.000 0.951 387 L CB -0.357 41.725 42.059 0.038 0.000 1.148 387 L HN 0.226 nan 8.230 nan 0.000 0.424 388 Q N -1.817 117.879 119.800 -0.173 0.000 1.842 388 Q HA 0.233 4.573 4.340 0.000 0.000 0.180 388 Q C 0.835 176.756 176.000 -0.131 0.000 0.751 388 Q CA 0.365 56.056 55.803 -0.188 0.000 0.861 388 Q CB 1.176 29.679 28.738 -0.393 0.000 1.223 388 Q HN 0.346 nan 8.270 nan 0.000 0.401 389 G N 0.000 108.738 108.800 -0.103 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925