REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3hdq_1_B 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 LQGQ 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 0.000 174.562 174.600 -0.064 0.000 1.055 27 S CA 0.000 58.164 58.200 -0.060 0.000 1.107 27 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 28 K N 2.078 122.439 120.400 -0.066 0.000 2.168 28 K HA 0.646 4.967 4.320 0.000 0.000 0.258 28 K C 1.302 177.834 176.600 -0.113 0.000 1.010 28 K CA 0.505 56.741 56.287 -0.085 0.000 0.929 28 K CB 0.588 33.050 32.500 -0.063 0.000 0.998 28 K HN 1.198 nan 8.250 nan 0.000 0.479 29 G N 1.057 109.728 108.800 -0.215 0.000 2.496 29 G HA2 -0.251 3.710 3.960 0.000 0.000 0.243 29 G HA3 -0.251 3.710 3.960 0.000 0.000 0.243 29 G C -0.887 173.708 174.900 -0.507 0.000 1.176 29 G CA -0.529 44.347 45.100 -0.373 0.000 0.940 29 G HN 0.389 nan 8.290 nan 0.000 0.573 30 F N 1.231 121.225 119.950 0.074 0.000 2.492 30 F HA 0.534 5.061 4.527 0.000 0.000 0.327 30 F C 1.287 177.125 175.800 0.064 0.000 1.079 30 F CA -0.480 57.572 58.000 0.087 0.000 0.967 30 F CB 1.625 40.693 39.000 0.114 0.000 1.169 30 F HN 0.375 nan 8.300 nan 0.000 0.472 31 D N 0.536 121.085 120.400 0.248 0.000 2.097 31 D HA -0.161 4.479 4.640 0.000 0.000 0.197 31 D C -0.346 175.927 176.300 -0.045 0.000 0.984 31 D CA 1.990 56.039 54.000 0.083 0.000 0.826 31 D CB 0.021 40.929 40.800 0.180 0.000 0.973 31 D HN 0.333 nan 8.370 nan 0.000 0.460 32 Y N -0.399 120.060 120.300 0.264 0.000 2.391 32 Y HA 0.355 4.905 4.550 0.000 0.000 0.341 32 Y C -0.381 175.537 175.900 0.031 0.000 0.965 32 Y CA -1.179 57.028 58.100 0.179 0.000 1.067 32 Y CB 1.932 40.468 38.460 0.126 0.000 1.199 32 Y HN -0.229 nan 8.280 nan 0.000 0.450 33 L N 5.273 126.507 121.223 0.018 0.000 2.282 33 L HA 0.648 4.988 4.340 0.000 0.000 0.288 33 L C -1.242 175.495 176.870 -0.223 0.000 1.033 33 L CA -0.414 54.250 54.840 -0.293 0.000 0.807 33 L CB 0.333 41.890 42.059 -0.837 0.000 1.209 33 L HN 0.519 nan 8.230 nan 0.000 0.423 34 I N 5.862 126.307 120.570 -0.209 0.000 2.406 34 I HA 0.363 4.533 4.170 0.000 0.000 0.290 34 I C -0.770 175.204 176.117 -0.240 0.000 0.999 34 I CA -0.952 60.232 61.300 -0.193 0.000 1.124 34 I CB 1.971 39.878 38.000 -0.156 0.000 1.289 34 I HN 0.267 nan 8.210 nan 0.000 0.441 35 V N 5.377 125.122 119.914 -0.281 0.000 2.333 35 V HA 0.744 4.864 4.120 0.000 0.000 0.274 35 V C 0.427 176.310 176.094 -0.351 0.000 1.028 35 V CA -0.286 61.823 62.300 -0.318 0.000 0.851 35 V CB 0.706 32.271 31.823 -0.430 0.000 1.000 35 V HN 1.076 nan 8.190 nan 0.000 0.456 36 G N 4.265 112.896 108.800 -0.282 0.000 3.055 36 G HA2 0.286 4.246 3.960 0.000 0.000 0.686 36 G HA3 0.286 4.246 3.960 0.000 0.000 0.686 36 G C -0.126 174.624 174.900 -0.249 0.000 1.087 36 G CA -0.219 44.713 45.100 -0.280 0.000 0.779 36 G HN 1.518 nan 8.290 nan 0.000 0.599 37 A N 1.641 124.299 122.820 -0.270 0.000 2.701 37 A HA 0.787 5.107 4.320 0.000 0.000 0.297 37 A C 1.407 178.754 177.584 -0.394 0.000 1.197 37 A CA 1.161 53.027 52.037 -0.285 0.000 0.963 37 A CB -0.153 18.675 19.000 -0.288 0.000 1.175 37 A HN 2.170 nan 8.150 nan 0.000 0.531 38 G N -1.141 107.472 108.800 -0.313 0.000 2.489 38 G HA2 0.381 4.341 3.960 0.000 0.000 0.271 38 G HA3 0.381 4.341 3.960 0.000 0.000 0.271 38 G C 0.623 175.486 174.900 -0.062 0.000 1.427 38 G CA -0.404 44.517 45.100 -0.299 0.000 1.057 38 G HN 0.163 nan 8.290 nan 0.000 0.532 39 F N 0.750 120.803 119.950 0.172 0.000 2.095 39 F HA -0.128 4.399 4.527 0.000 0.000 0.298 39 F C 3.106 178.975 175.800 0.116 0.000 1.104 39 F CA 2.012 60.165 58.000 0.255 0.000 1.232 39 F CB -0.393 38.746 39.000 0.232 0.000 0.987 39 F HN 0.344 nan 8.300 nan 0.000 0.475 40 A N 0.315 123.281 122.820 0.243 0.000 1.865 40 A HA -0.145 4.175 4.320 0.000 0.000 0.217 40 A C 2.538 180.138 177.584 0.027 0.000 1.191 40 A CA 2.085 54.191 52.037 0.115 0.000 0.623 40 A CB -1.665 17.375 19.000 0.068 0.000 0.826 40 A HN 0.427 nan 8.150 nan 0.000 0.444 41 G N -1.079 107.701 108.800 -0.034 0.000 2.433 41 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 41 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 41 G C 1.852 176.706 174.900 -0.077 0.000 1.186 41 G CA 1.336 46.379 45.100 -0.094 0.000 0.779 41 G HN 0.500 nan 8.290 nan 0.000 0.543 42 S N -0.042 115.636 115.700 -0.038 0.000 2.383 42 S HA -0.077 4.393 4.470 0.000 0.000 0.227 42 S C 2.513 177.083 174.600 -0.049 0.000 1.026 42 S CA 1.010 59.191 58.200 -0.032 0.000 0.981 42 S CB -0.204 63.045 63.200 0.082 0.000 0.818 42 S HN 0.170 nan 8.310 nan 0.000 0.472 43 V N 2.022 121.946 119.914 0.017 0.000 2.287 43 V HA -0.171 3.949 4.120 0.000 0.000 0.248 43 V C 2.190 178.225 176.094 -0.098 0.000 1.053 43 V CA 1.599 63.909 62.300 0.018 0.000 1.027 43 V CB -0.632 31.236 31.823 0.074 0.000 0.646 43 V HN 0.395 nan 8.190 nan 0.000 0.447 44 L N -0.297 120.864 121.223 -0.103 0.000 2.093 44 L HA -0.123 4.218 4.340 0.000 0.000 0.208 44 L C 2.678 179.426 176.870 -0.203 0.000 1.085 44 L CA 1.402 56.144 54.840 -0.163 0.000 0.755 44 L CB -0.686 41.301 42.059 -0.121 0.000 0.904 44 L HN 0.351 nan 8.230 nan 0.000 0.435 45 A N -0.400 122.327 122.820 -0.155 0.000 1.865 45 A HA -0.273 4.048 4.320 0.000 0.000 0.217 45 A C 2.309 179.812 177.584 -0.136 0.000 1.191 45 A CA 1.943 53.899 52.037 -0.135 0.000 0.623 45 A CB -0.612 18.321 19.000 -0.112 0.000 0.826 45 A HN 0.413 nan 8.150 nan 0.000 0.444 46 E N -0.047 120.066 120.200 -0.145 0.000 2.058 46 E HA -0.232 4.118 4.350 0.000 0.000 0.194 46 E C 2.246 178.757 176.600 -0.148 0.000 0.997 46 E CA 1.233 57.556 56.400 -0.128 0.000 0.801 46 E CB -0.251 29.348 29.700 -0.169 0.000 0.746 46 E HN 0.448 nan 8.360 nan 0.000 0.450 47 R N 0.050 120.363 120.500 -0.312 0.000 2.062 47 R HA -0.101 4.239 4.340 0.000 0.000 0.231 47 R C 2.500 178.476 176.300 -0.540 0.000 1.136 47 R CA 0.598 56.276 56.100 -0.703 0.000 0.948 47 R CB -1.050 28.327 30.300 -1.538 0.000 0.845 47 R HN 0.235 nan 8.270 nan 0.000 0.430 48 L N 0.871 121.882 121.223 -0.354 0.000 2.013 48 L HA -0.145 4.195 4.340 0.000 0.000 0.212 48 L C 2.532 179.418 176.870 0.027 0.000 1.073 48 L CA 2.079 56.881 54.840 -0.063 0.000 0.753 48 L CB -1.643 40.307 42.059 -0.182 0.000 0.890 48 L HN 0.183 nan 8.230 nan 0.000 0.432 49 A N -0.654 122.161 122.820 -0.009 0.000 1.933 49 A HA -0.210 4.110 4.320 0.000 0.000 0.218 49 A C 2.481 180.095 177.584 0.051 0.000 1.175 49 A CA 2.015 54.077 52.037 0.041 0.000 0.628 49 A CB -0.760 18.253 19.000 0.022 0.000 0.814 49 A HN 0.570 nan 8.150 nan 0.000 0.444 50 S N 0.162 115.876 115.700 0.023 0.000 2.481 50 S HA -0.077 4.393 4.470 0.000 0.000 0.231 50 S C 1.627 176.281 174.600 0.091 0.000 0.996 50 S CA 1.401 59.631 58.200 0.051 0.000 0.942 50 S CB -0.601 62.623 63.200 0.041 0.000 0.768 50 S HN 0.906 nan 8.310 nan 0.000 0.520 51 S N -0.502 115.273 115.700 0.125 0.000 2.597 51 S HA 0.541 5.012 4.470 0.000 0.000 0.224 51 S C 1.387 176.075 174.600 0.147 0.000 0.955 51 S CA 0.257 58.562 58.200 0.173 0.000 0.933 51 S CB -0.241 63.131 63.200 0.286 0.000 0.788 51 S HN 1.429 nan 8.310 nan 0.000 0.488 52 G N 0.750 109.625 108.800 0.124 0.000 2.176 52 G HA2 -0.197 3.763 3.960 0.000 0.000 0.232 52 G HA3 -0.197 3.763 3.960 0.000 0.000 0.232 52 G C -0.150 174.833 174.900 0.138 0.000 0.986 52 G CA -0.261 44.908 45.100 0.114 0.000 0.643 52 G HN 0.518 nan 8.290 nan 0.000 0.522 53 Q N 0.427 120.333 119.800 0.178 0.000 2.314 53 Q HA 0.395 4.736 4.340 0.000 0.000 0.258 53 Q C 0.584 176.719 176.000 0.225 0.000 0.954 53 Q CA -0.082 55.864 55.803 0.238 0.000 0.890 53 Q CB 0.782 29.733 28.738 0.355 0.000 1.210 53 Q HN 0.514 nan 8.270 nan 0.000 0.410 54 R N 0.942 121.588 120.500 0.243 0.000 2.248 54 R HA 0.337 4.678 4.340 0.000 0.000 0.328 54 R C -0.428 176.124 176.300 0.420 0.000 1.067 54 R CA -0.215 56.058 56.100 0.287 0.000 0.924 54 R CB 0.531 30.957 30.300 0.211 0.000 1.013 54 R HN 0.239 nan 8.270 nan 0.000 0.454 55 V N 4.942 125.051 119.914 0.325 0.000 2.513 55 V HA 0.362 4.482 4.120 0.000 0.000 0.299 55 V C -0.789 175.247 176.094 -0.096 0.000 1.035 55 V CA -0.930 61.470 62.300 0.166 0.000 0.889 55 V CB 1.864 33.728 31.823 0.069 0.000 0.988 55 V HN 0.473 nan 8.190 nan 0.000 0.440 56 L N 6.372 127.347 121.223 -0.413 0.000 2.343 56 L HA 0.682 5.022 4.340 0.000 0.000 0.278 56 L C -0.830 175.816 176.870 -0.373 0.000 0.996 56 L CA 0.013 54.443 54.840 -0.684 0.000 0.831 56 L CB 1.260 42.457 42.059 -1.437 0.000 1.232 56 L HN 0.670 nan 8.230 nan 0.000 0.413 57 I N 6.486 126.897 120.570 -0.265 0.000 2.404 57 I HA 0.714 4.884 4.170 0.000 0.000 0.293 57 I C -0.874 175.122 176.117 -0.202 0.000 0.992 57 I CA -0.651 60.522 61.300 -0.212 0.000 1.149 57 I CB 1.571 39.469 38.000 -0.170 0.000 1.315 57 I HN 0.594 nan 8.210 nan 0.000 0.446 58 V N 4.020 123.817 119.914 -0.196 0.000 2.914 58 V HA 0.737 4.857 4.120 0.000 0.000 0.314 58 V C -1.256 174.738 176.094 -0.168 0.000 1.084 58 V CA -0.448 61.753 62.300 -0.164 0.000 0.963 58 V CB 1.947 33.690 31.823 -0.132 0.000 1.025 58 V HN 0.793 nan 8.190 nan 0.000 0.432 59 D N 1.544 121.847 120.400 -0.162 0.000 2.837 59 D HA 0.316 4.956 4.640 0.000 0.000 0.220 59 D C 0.775 176.980 176.300 -0.159 0.000 1.236 59 D CA -0.472 53.415 54.000 -0.188 0.000 0.838 59 D CB 2.730 43.370 40.800 -0.266 0.000 1.647 59 D HN 0.847 nan 8.370 nan 0.000 0.486 60 R N 2.260 122.678 120.500 -0.137 0.000 2.235 60 R HA 0.086 4.426 4.340 0.000 0.000 0.213 60 R C 0.304 176.515 176.300 -0.147 0.000 1.059 60 R CA 0.206 56.243 56.100 -0.105 0.000 0.997 60 R CB 0.243 30.505 30.300 -0.063 0.000 0.884 60 R HN 0.160 nan 8.270 nan 0.000 0.462 61 R N 1.709 122.063 120.500 -0.244 0.000 2.582 61 R HA 0.142 4.482 4.340 0.000 0.000 0.271 61 R C -1.819 174.275 176.300 -0.342 0.000 1.078 61 R CA -1.753 54.139 56.100 -0.345 0.000 1.127 61 R CB 0.574 30.488 30.300 -0.643 0.000 1.038 61 R HN 0.069 nan 8.270 nan 0.000 0.500 62 P HA 0.021 nan 4.420 nan 0.000 0.255 62 P C -1.211 175.986 177.300 -0.171 0.000 1.357 62 P CA 0.493 63.495 63.100 -0.162 0.000 0.839 62 P CB -0.002 31.662 31.700 -0.060 0.000 1.356 63 H N -1.487 117.409 119.070 -0.289 0.000 3.017 63 H HA 0.570 5.126 4.556 0.000 0.000 0.346 63 H C 0.032 175.119 175.328 -0.402 0.000 1.286 63 H CA -1.333 54.466 56.048 -0.414 0.000 1.120 63 H CB 0.256 29.493 29.762 -0.876 0.000 1.860 63 H HN -0.166 nan 8.280 nan 0.000 0.542 64 I N -1.828 118.652 120.570 -0.151 0.000 3.502 64 I HA 0.685 4.855 4.170 0.000 0.000 0.302 64 I C 1.183 177.127 176.117 -0.288 0.000 1.170 64 I CA -0.490 60.664 61.300 -0.243 0.000 0.953 64 I CB 0.728 38.610 38.000 -0.197 0.000 1.475 64 I HN 1.098 nan 8.210 nan 0.000 0.657 65 G N 0.180 108.496 108.800 -0.807 0.000 2.179 65 G HA2 -0.052 3.909 3.960 0.000 0.000 0.260 65 G HA3 -0.052 3.909 3.960 0.000 0.000 0.260 65 G C 0.936 175.347 174.900 -0.815 0.000 0.977 65 G CA 0.384 44.573 45.100 -1.519 0.000 0.641 65 G HN 2.139 nan 8.290 nan 0.000 0.533 66 G N 0.586 109.105 108.800 -0.467 0.000 2.596 66 G HA2 -0.354 3.606 3.960 0.000 0.000 0.295 66 G HA3 -0.354 3.606 3.960 0.000 0.000 0.295 66 G C 0.835 175.568 174.900 -0.278 0.000 1.240 66 G CA 0.929 45.832 45.100 -0.329 0.000 0.985 66 G HN 1.121 nan 8.290 nan 0.000 0.555 67 N N 1.163 119.707 118.700 -0.260 0.000 2.453 67 N HA 0.159 4.899 4.740 0.000 0.000 0.183 67 N C 2.089 177.335 175.510 -0.440 0.000 1.041 67 N CA 1.614 54.492 53.050 -0.287 0.000 0.900 67 N CB -0.360 38.123 38.487 -0.007 0.000 0.961 67 N HN 0.941 nan 8.380 nan 0.000 0.443 68 A N -0.432 122.140 122.820 -0.413 0.000 2.275 68 A HA 0.015 4.335 4.320 0.000 0.000 0.212 68 A C 0.371 177.717 177.584 -0.396 0.000 1.201 68 A CA -0.443 51.200 52.037 -0.657 0.000 0.843 68 A CB -0.564 18.258 19.000 -0.297 0.000 0.873 68 A HN 0.326 nan 8.150 nan 0.000 0.492 69 Y N 2.610 122.722 120.300 -0.313 0.000 2.712 69 Y HA 0.288 4.839 4.550 0.001 0.000 0.333 69 Y C -0.165 175.599 175.900 -0.226 0.000 1.225 69 Y CA -0.440 57.523 58.100 -0.228 0.000 1.499 69 Y CB 0.308 38.606 38.460 -0.270 0.000 1.288 69 Y HN 0.494 nan 8.280 nan 0.000 0.575 70 D N 4.525 124.464 120.400 -0.769 0.000 2.423 70 D HA 0.611 5.252 4.640 0.000 0.000 0.235 70 D C -0.935 174.763 176.300 -1.003 0.000 1.011 70 D CA -0.540 53.015 54.000 -0.742 0.000 0.963 70 D CB 1.231 41.840 40.800 -0.318 0.000 1.349 70 D HN 0.775 nan 8.370 nan 0.000 0.508 71 C N -2.434 116.445 119.300 -0.701 0.000 3.306 71 C HA 0.670 5.130 4.460 0.000 0.000 0.335 71 C C -1.495 173.239 174.990 -0.427 0.000 1.382 71 C CA -1.146 57.580 59.018 -0.487 0.000 1.254 71 C CB -0.101 27.396 27.740 -0.404 0.000 1.555 71 C HN 0.620 nan 8.230 nan 0.000 0.463 72 Y N 2.194 122.370 120.300 -0.205 0.000 2.313 72 Y HA 0.466 5.017 4.550 0.000 0.000 0.332 72 Y C 0.991 176.798 175.900 -0.155 0.000 1.071 72 Y CA 0.669 58.673 58.100 -0.160 0.000 1.169 72 Y CB 0.907 39.310 38.460 -0.096 0.000 1.192 72 Y HN 0.872 nan 8.280 nan 0.000 0.487 73 D N 0.160 120.519 120.400 -0.068 0.000 2.440 73 D HA 0.008 4.648 4.640 0.000 0.000 0.269 73 D C 0.368 176.656 176.300 -0.020 0.000 1.249 73 D CA -0.283 53.661 54.000 -0.093 0.000 1.055 73 D CB 0.473 41.179 40.800 -0.158 0.000 1.104 73 D HN 0.415 nan 8.370 nan 0.000 0.561 74 D N -0.867 119.516 120.400 -0.028 0.000 2.221 74 D HA -0.071 4.569 4.640 0.000 0.000 0.204 74 D C 1.531 177.846 176.300 0.025 0.000 0.982 74 D CA 1.747 55.747 54.000 0.001 0.000 0.857 74 D CB -0.336 40.462 40.800 -0.004 0.000 0.934 74 D HN 0.528 nan 8.370 nan 0.000 0.475 75 A N -0.885 121.943 122.820 0.014 0.000 2.238 75 A HA 0.465 4.785 4.320 0.000 0.000 0.210 75 A C 1.718 179.387 177.584 0.143 0.000 1.179 75 A CA 0.950 53.017 52.037 0.050 0.000 0.827 75 A CB 0.108 19.097 19.000 -0.018 0.000 0.856 75 A HN 0.225 nan 8.150 nan 0.000 0.488 76 G N -1.456 107.418 108.800 0.123 0.000 2.141 76 G HA2 -0.169 3.792 3.960 0.000 0.000 0.231 76 G HA3 -0.169 3.792 3.960 0.000 0.000 0.231 76 G C 0.059 175.101 174.900 0.236 0.000 0.984 76 G CA 0.031 45.281 45.100 0.251 0.000 0.660 76 G HN 0.778 nan 8.290 nan 0.000 0.525 77 V N 1.495 121.364 119.914 -0.075 0.000 2.465 77 V HA 0.597 4.718 4.120 0.000 0.000 0.279 77 V C 0.818 176.732 176.094 -0.300 0.000 1.045 77 V CA -0.717 61.453 62.300 -0.217 0.000 0.938 77 V CB 1.616 33.245 31.823 -0.324 0.000 0.986 77 V HN 0.491 nan 8.190 nan 0.000 0.467 78 L N 7.901 128.835 121.223 -0.480 0.000 2.418 78 L HA 0.521 4.862 4.340 0.000 0.000 0.274 78 L C -0.270 176.236 176.870 -0.607 0.000 1.135 78 L CA 0.666 55.021 54.840 -0.808 0.000 0.870 78 L CB -0.136 41.444 42.059 -0.799 0.000 1.154 78 L HN 0.667 nan 8.230 nan 0.000 0.462 79 I N 0.806 120.937 120.570 -0.730 0.000 3.145 79 I HA 0.539 4.709 4.170 0.000 0.000 0.313 79 I C -1.036 174.562 176.117 -0.866 0.000 1.122 79 I CA -0.794 59.762 61.300 -1.240 0.000 0.987 79 I CB 2.155 39.514 38.000 -1.068 0.000 1.236 79 I HN 0.565 nan 8.210 nan 0.000 0.453 80 H N 1.863 120.155 119.070 -1.297 0.000 2.673 80 H HA 0.309 4.865 4.556 0.000 0.000 0.293 80 H C -2.114 172.992 175.328 -0.371 0.000 1.065 80 H CA -1.979 53.759 56.048 -0.516 0.000 1.236 80 H CB 1.143 30.866 29.762 -0.065 0.000 1.389 80 H HN 0.440 nan 8.280 nan 0.000 0.481 81 P HA -0.196 nan 4.420 nan 0.000 0.218 81 P C -0.028 176.829 177.300 -0.738 0.000 1.148 81 P CA 1.413 64.189 63.100 -0.541 0.000 0.822 81 P CB 0.083 31.334 31.700 -0.749 0.000 0.784 82 Y N -0.859 119.217 120.300 -0.373 0.000 2.746 82 Y HA 0.534 5.085 4.550 0.000 0.000 0.312 82 Y C 1.312 176.870 175.900 -0.571 0.000 1.117 82 Y CA -0.132 57.563 58.100 -0.674 0.000 1.324 82 Y CB -0.169 38.184 38.460 -0.178 0.000 1.173 82 Y HN -0.071 nan 8.280 nan 0.000 0.529 83 G N 1.135 109.703 108.800 -0.388 0.000 2.663 83 G HA2 -0.144 3.817 3.960 0.000 0.000 0.686 83 G HA3 -0.144 3.817 3.960 0.000 0.000 0.686 83 G C -3.131 172.078 174.900 0.514 0.000 1.246 83 G CA -1.587 43.607 45.100 0.157 0.000 0.795 83 G HN -0.034 nan 8.290 nan 0.000 0.627 84 P HA 0.209 nan 4.420 nan 0.000 0.262 84 P C -0.593 176.993 177.300 0.476 0.000 1.199 84 P CA 0.533 63.925 63.100 0.487 0.000 0.763 84 P CB 0.223 32.011 31.700 0.146 0.000 0.790 85 H N 3.095 122.553 119.070 0.646 0.000 2.685 85 H HA 0.456 5.012 4.556 0.000 0.000 0.307 85 H C -0.135 175.504 175.328 0.517 0.000 1.017 85 H CA -0.382 55.889 56.048 0.372 0.000 1.237 85 H CB 0.297 30.067 29.762 0.013 0.000 1.409 85 H HN 0.245 nan 8.280 nan 0.000 0.488 86 I N 3.795 124.644 120.570 0.465 0.000 2.330 86 I HA 0.131 4.301 4.170 0.000 0.000 0.289 86 I C -0.335 176.077 176.117 0.491 0.000 1.001 86 I CA -0.530 61.073 61.300 0.504 0.000 1.193 86 I CB 0.520 38.738 38.000 0.363 0.000 1.345 86 I HN 0.413 nan 8.210 nan 0.000 0.461 87 F N 7.446 127.664 119.950 0.447 0.000 2.412 87 F HA 0.500 5.027 4.527 0.000 0.000 0.348 87 F C 0.116 176.022 175.800 0.178 0.000 1.102 87 F CA 0.256 58.431 58.000 0.292 0.000 1.196 87 F CB 0.218 39.483 39.000 0.442 0.000 1.144 87 F HN 0.678 nan 8.300 nan 0.000 0.541 88 H N 1.480 119.964 119.070 -0.977 0.000 3.123 88 H HA 0.547 5.104 4.556 0.000 0.000 0.346 88 H C -1.346 173.475 175.328 -0.845 0.000 1.138 88 H CA -0.969 54.640 56.048 -0.732 0.000 1.273 88 H CB 1.508 30.839 29.762 -0.719 0.000 1.926 88 H HN 0.607 nan 8.280 nan 0.000 0.524 89 T N 1.231 115.523 114.554 -0.437 0.000 2.889 89 T HA 0.276 4.626 4.350 0.000 0.000 0.315 89 T C -0.416 174.293 174.700 0.016 0.000 1.291 89 T CA -0.767 61.169 62.100 -0.273 0.000 1.028 89 T CB 1.392 70.144 68.868 -0.193 0.000 1.235 89 T HN 0.736 nan 8.240 nan 0.000 0.491 90 N N 1.067 119.779 118.700 0.020 0.000 2.299 90 N HA 0.119 4.859 4.740 0.000 0.000 0.187 90 N C 0.222 175.843 175.510 0.185 0.000 1.099 90 N CA 0.109 53.209 53.050 0.083 0.000 0.867 90 N CB 0.733 39.222 38.487 0.003 0.000 0.974 90 N HN 0.496 nan 8.380 nan 0.000 0.477 91 S N 0.853 116.631 115.700 0.131 0.000 2.416 91 S HA 0.157 4.628 4.470 0.000 0.000 0.287 91 S C 1.269 175.895 174.600 0.043 0.000 1.139 91 S CA -0.516 57.741 58.200 0.096 0.000 1.058 91 S CB 1.093 64.317 63.200 0.040 0.000 0.967 91 S HN 0.117 nan 8.310 nan 0.000 0.495 92 K N 3.802 124.244 120.400 0.069 0.000 2.074 92 K HA -0.161 4.159 4.320 0.000 0.000 0.209 92 K C 0.884 177.457 176.600 -0.044 0.000 1.048 92 K CA 2.193 58.419 56.287 -0.101 0.000 0.926 92 K CB -0.088 32.464 32.500 0.087 0.000 0.713 92 K HN 0.623 nan 8.250 nan 0.000 0.444 93 D N -0.097 120.322 120.400 0.031 0.000 2.097 93 D HA -0.135 4.505 4.640 0.000 0.000 0.195 93 D C 1.916 178.281 176.300 0.108 0.000 0.989 93 D CA 1.135 55.173 54.000 0.063 0.000 0.827 93 D CB -0.224 40.609 40.800 0.056 0.000 0.966 93 D HN 0.030 nan 8.370 nan 0.000 0.456 94 V N 0.591 120.574 119.914 0.114 0.000 2.295 94 V HA -0.226 3.894 4.120 0.000 0.000 0.246 94 V C 2.150 178.398 176.094 0.257 0.000 1.049 94 V CA 1.322 63.743 62.300 0.202 0.000 1.024 94 V CB -0.574 31.367 31.823 0.197 0.000 0.648 94 V HN 0.122 nan 8.190 nan 0.000 0.447 95 F N 0.957 120.898 119.950 -0.015 0.000 2.134 95 F HA -0.182 4.346 4.527 0.000 0.000 0.299 95 F C 2.482 178.262 175.800 -0.035 0.000 1.097 95 F CA 2.042 59.968 58.000 -0.123 0.000 1.264 95 F CB -0.037 38.614 39.000 -0.582 0.000 1.001 95 F HN 0.192 nan 8.300 nan 0.000 0.479 96 E N -1.037 119.151 120.200 -0.021 0.000 2.106 96 E HA -0.271 4.080 4.350 0.000 0.000 0.192 96 E C 1.920 178.498 176.600 -0.037 0.000 0.984 96 E CA 1.409 57.782 56.400 -0.045 0.000 0.806 96 E CB -0.527 29.185 29.700 0.020 0.000 0.750 96 E HN 0.616 nan 8.360 nan 0.000 0.458 97 Y N 1.378 121.657 120.300 -0.036 0.000 2.114 97 Y HA -0.238 4.313 4.550 0.000 0.000 0.284 97 Y C 1.995 177.914 175.900 0.031 0.000 1.143 97 Y CA 1.183 59.289 58.100 0.009 0.000 1.135 97 Y CB -0.240 38.271 38.460 0.084 0.000 0.980 97 Y HN -0.032 nan 8.280 nan 0.000 0.499 98 L N -0.006 121.190 121.223 -0.046 0.000 2.131 98 L HA -0.177 4.163 4.340 0.000 0.000 0.210 98 L C 2.521 179.249 176.870 -0.236 0.000 1.092 98 L CA 1.788 56.579 54.840 -0.081 0.000 0.759 98 L CB -1.472 40.626 42.059 0.065 0.000 0.903 98 L HN 0.218 nan 8.230 nan 0.000 0.435 99 S N -0.729 114.834 115.700 -0.228 0.000 2.440 99 S HA -0.179 4.291 4.470 0.000 0.000 0.238 99 S C 1.908 176.256 174.600 -0.420 0.000 1.010 99 S CA 0.826 58.886 58.200 -0.233 0.000 0.972 99 S CB -0.253 62.856 63.200 -0.151 0.000 0.774 99 S HN 0.448 nan 8.310 nan 0.000 0.501 100 R N -0.381 119.726 120.500 -0.655 0.000 2.235 100 R HA 0.036 4.376 4.340 0.000 0.000 0.213 100 R C 0.601 176.236 176.300 -1.107 0.000 1.059 100 R CA 0.941 56.457 56.100 -0.974 0.000 0.997 100 R CB -0.146 29.334 30.300 -1.367 0.000 0.884 100 R HN 0.456 nan 8.270 nan 0.000 0.462 101 F N -1.444 118.266 119.950 -0.401 0.000 2.746 101 F HA 0.275 4.802 4.527 0.001 0.000 0.320 101 F C 0.373 175.924 175.800 -0.415 0.000 1.097 101 F CA -0.351 57.422 58.000 -0.377 0.000 1.195 101 F CB 1.352 40.107 39.000 -0.409 0.000 1.056 101 F HN -0.244 nan 8.300 nan 0.000 0.562 102 T N -0.257 114.044 114.554 -0.423 0.000 2.977 102 T HA 0.238 4.588 4.350 0.000 0.000 0.345 102 T C -1.036 173.236 174.700 -0.714 0.000 1.562 102 T CA -0.564 61.203 62.100 -0.556 0.000 1.090 102 T CB 1.386 69.794 68.868 -0.765 0.000 1.383 102 T HN 0.056 nan 8.240 nan 0.000 0.484 103 E N 1.158 121.039 120.200 -0.533 0.000 2.351 103 E HA 0.508 4.859 4.350 0.000 0.000 0.255 103 E C -0.983 175.255 176.600 -0.604 0.000 1.188 103 E CA -0.488 55.645 56.400 -0.445 0.000 0.940 103 E CB 0.872 30.450 29.700 -0.203 0.000 1.094 103 E HN 0.499 nan 8.360 nan 0.000 0.474 104 W N 0.367 121.618 121.300 -0.081 0.000 2.819 104 W HA 0.376 5.036 4.660 0.000 0.000 0.337 104 W C -0.294 176.228 176.519 0.006 0.000 1.077 104 W CA -0.803 56.531 57.345 -0.019 0.000 1.226 104 W CB 1.224 30.759 29.460 0.126 0.000 1.419 104 W HN 0.156 nan 8.180 nan 0.000 0.502 105 R N 3.575 124.245 120.500 0.284 0.000 2.229 105 R HA 0.410 4.750 4.340 0.000 0.000 0.332 105 R C -2.533 173.944 176.300 0.295 0.000 0.989 105 R CA -1.746 54.480 56.100 0.209 0.000 0.842 105 R CB 1.014 31.376 30.300 0.104 0.000 1.119 105 R HN 0.099 nan 8.270 nan 0.000 0.456 106 P HA -0.019 nan 4.420 nan 0.000 0.265 106 P C -1.626 175.864 177.300 0.317 0.000 1.193 106 P CA 0.360 63.600 63.100 0.235 0.000 0.765 106 P CB 0.172 31.965 31.700 0.156 0.000 0.823 107 Y N 1.326 121.716 120.300 0.150 0.000 2.314 107 Y HA 0.233 4.784 4.550 0.000 0.000 0.317 107 Y C -1.603 174.408 175.900 0.185 0.000 1.234 107 Y CA -0.475 57.727 58.100 0.170 0.000 1.111 107 Y CB 1.383 39.967 38.460 0.207 0.000 1.283 107 Y HN 0.318 nan 8.280 nan 0.000 0.418 108 Q N 5.123 124.661 119.800 -0.438 0.000 2.357 108 Q HA 0.237 4.578 4.340 0.000 0.000 0.266 108 Q C -1.171 174.455 176.000 -0.623 0.000 1.021 108 Q CA -1.044 54.542 55.803 -0.360 0.000 0.784 108 Q CB 1.432 30.079 28.738 -0.151 0.000 1.243 108 Q HN 0.665 nan 8.270 nan 0.000 0.465 109 H N 2.585 121.273 119.070 -0.635 0.000 2.897 109 H HA 0.163 4.719 4.556 0.000 0.000 0.347 109 H C -0.701 174.484 175.328 -0.238 0.000 1.068 109 H CA 0.713 56.509 56.048 -0.421 0.000 1.426 109 H CB 0.506 30.277 29.762 0.015 0.000 1.410 109 H HN 0.432 nan 8.280 nan 0.000 0.597 110 R N 3.272 123.450 120.500 -0.536 0.000 2.575 110 R HA 0.497 4.838 4.340 0.000 0.000 0.293 110 R C -1.367 174.574 176.300 -0.597 0.000 0.983 110 R CA -1.035 54.797 56.100 -0.446 0.000 0.887 110 R CB 2.143 32.289 30.300 -0.255 0.000 1.184 110 R HN 0.312 nan 8.270 nan 0.000 0.445 111 V N 4.110 123.752 119.914 -0.452 0.000 2.555 111 V HA 0.463 4.583 4.120 0.000 0.000 0.302 111 V C -0.829 175.113 176.094 -0.253 0.000 1.038 111 V CA -0.913 61.131 62.300 -0.427 0.000 0.887 111 V CB 1.891 33.395 31.823 -0.532 0.000 0.991 111 V HN 0.436 nan 8.190 nan 0.000 0.434 112 L N 3.458 124.533 121.223 -0.247 0.000 2.346 112 L HA 0.859 5.199 4.340 0.000 0.000 0.276 112 L C 0.214 176.963 176.870 -0.201 0.000 1.006 112 L CA -0.498 54.229 54.840 -0.188 0.000 0.817 112 L CB 1.660 43.609 42.059 -0.183 0.000 1.272 112 L HN 0.809 nan 8.230 nan 0.000 0.421 113 A N 1.641 124.379 122.820 -0.138 0.000 2.317 113 A HA 0.619 4.939 4.320 0.000 0.000 0.327 113 A C -0.170 177.290 177.584 -0.208 0.000 1.178 113 A CA -0.433 51.504 52.037 -0.166 0.000 0.817 113 A CB 1.010 19.995 19.000 -0.025 0.000 1.189 113 A HN 0.606 nan 8.150 nan 0.000 0.489 114 S N 1.979 117.484 115.700 -0.325 0.000 2.416 114 S HA 0.481 4.951 4.470 0.000 0.000 0.302 114 S C -0.608 173.872 174.600 -0.199 0.000 1.120 114 S CA -0.231 57.819 58.200 -0.250 0.000 1.067 114 S CB -0.703 62.316 63.200 -0.300 0.000 1.057 114 S HN 0.708 nan 8.310 nan 0.000 0.518 115 V N 5.062 124.851 119.914 -0.208 0.000 2.623 115 V HA 0.370 4.490 4.120 0.000 0.000 0.304 115 V C -0.488 175.499 176.094 -0.179 0.000 1.054 115 V CA -0.857 61.277 62.300 -0.277 0.000 0.882 115 V CB 1.826 33.318 31.823 -0.551 0.000 1.002 115 V HN 0.853 nan 8.190 nan 0.000 0.424 116 D N 3.686 124.001 120.400 -0.142 0.000 2.751 116 D HA -0.181 4.460 4.640 0.000 0.000 0.233 116 D C 1.348 177.611 176.300 -0.061 0.000 1.149 116 D CA 2.030 55.976 54.000 -0.091 0.000 0.682 116 D CB -1.107 39.638 40.800 -0.092 0.000 1.068 116 D HN 1.559 nan 8.370 nan 0.000 0.429 117 G N -0.835 107.937 108.800 -0.047 0.000 2.166 117 G HA2 -0.370 3.590 3.960 0.000 0.000 0.260 117 G HA3 -0.370 3.590 3.960 0.000 0.000 0.260 117 G C 0.242 175.128 174.900 -0.023 0.000 0.986 117 G CA 0.880 45.969 45.100 -0.018 0.000 0.683 117 G HN 0.537 nan 8.290 nan 0.000 0.527 118 Q N -1.169 118.602 119.800 -0.049 0.000 2.297 118 Q HA 0.747 5.087 4.340 0.000 0.000 0.269 118 Q C -0.012 175.948 176.000 -0.066 0.000 1.051 118 Q CA -0.920 54.853 55.803 -0.050 0.000 0.869 118 Q CB 1.657 30.361 28.738 -0.055 0.000 1.346 118 Q HN 0.273 nan 8.270 nan 0.000 0.457 119 L N 2.615 123.800 121.223 -0.062 0.000 2.262 119 L HA 0.410 4.750 4.340 0.000 0.000 0.288 119 L C -1.187 175.643 176.870 -0.066 0.000 1.035 119 L CA -0.592 54.198 54.840 -0.084 0.000 0.820 119 L CB 0.480 42.485 42.059 -0.089 0.000 1.204 119 L HN 0.252 nan 8.230 nan 0.000 0.424 120 L N 5.489 126.686 121.223 -0.044 0.000 2.354 120 L HA 0.653 4.993 4.340 0.000 0.000 0.269 120 L C -2.270 174.589 176.870 -0.020 0.000 1.005 120 L CA -2.327 52.511 54.840 -0.004 0.000 0.819 120 L CB 1.708 43.822 42.059 0.092 0.000 1.311 120 L HN 0.226 nan 8.230 nan 0.000 0.423 121 P HA 0.265 nan 4.420 nan 0.000 0.268 121 P C -1.018 176.209 177.300 -0.123 0.000 1.204 121 P CA 0.078 63.119 63.100 -0.097 0.000 0.768 121 P CB 0.640 32.276 31.700 -0.108 0.000 0.842 122 I N 4.854 125.354 120.570 -0.117 0.000 2.533 122 I HA 0.479 4.649 4.170 0.000 0.000 0.290 122 I C -2.700 173.355 176.117 -0.103 0.000 1.056 122 I CA -3.450 57.762 61.300 -0.147 0.000 1.057 122 I CB 1.971 39.908 38.000 -0.104 0.000 1.240 122 I HN 0.174 nan 8.210 nan 0.000 0.423 123 P HA 0.111 nan 4.420 nan 0.000 0.266 123 P C -0.408 176.750 177.300 -0.237 0.000 1.193 123 P CA 0.227 63.180 63.100 -0.246 0.000 0.770 123 P CB 0.270 31.813 31.700 -0.262 0.000 0.836 124 I N 2.746 123.146 120.570 -0.283 0.000 2.741 124 I HA -0.079 4.091 4.170 0.000 0.000 0.288 124 I C 1.185 177.234 176.117 -0.113 0.000 1.192 124 I CA 0.798 61.922 61.300 -0.292 0.000 1.426 124 I CB -0.306 37.507 38.000 -0.310 0.000 1.367 124 I HN 0.527 nan 8.210 nan 0.000 0.563 125 N N 5.938 124.588 118.700 -0.084 0.000 3.167 125 N HA 0.272 5.012 4.740 0.000 0.000 0.323 125 N C 0.370 175.863 175.510 -0.029 0.000 1.478 125 N CA -0.908 52.123 53.050 -0.031 0.000 0.753 125 N CB 0.609 39.049 38.487 -0.078 0.000 1.721 125 N HN 0.433 nan 8.380 nan 0.000 0.618 126 L N -0.241 120.946 121.223 -0.059 0.000 2.043 126 L HA -0.186 4.154 4.340 0.000 0.000 0.212 126 L C 0.666 177.468 176.870 -0.115 0.000 1.075 126 L CA 2.131 56.905 54.840 -0.110 0.000 0.752 126 L CB -0.396 41.590 42.059 -0.121 0.000 0.891 126 L HN 0.538 nan 8.230 nan 0.000 0.432 127 D N -1.044 119.298 120.400 -0.097 0.000 2.178 127 D HA -0.138 4.502 4.640 0.000 0.000 0.202 127 D C 2.014 178.260 176.300 -0.090 0.000 0.974 127 D CA 1.586 55.532 54.000 -0.090 0.000 0.841 127 D CB -0.121 40.631 40.800 -0.081 0.000 0.953 127 D HN 0.376 nan 8.370 nan 0.000 0.478 128 T N 0.951 115.449 114.554 -0.094 0.000 2.652 128 T HA -0.115 4.235 4.350 0.000 0.000 0.267 128 T C 2.324 176.966 174.700 -0.098 0.000 1.039 128 T CA 0.972 63.017 62.100 -0.093 0.000 1.153 128 T CB -0.447 68.324 68.868 -0.162 0.000 0.863 128 T HN -0.023 nan 8.240 nan 0.000 0.428 129 V N 2.379 122.230 119.914 -0.105 0.000 2.295 129 V HA -0.182 3.938 4.120 0.000 0.000 0.246 129 V C 2.522 178.540 176.094 -0.126 0.000 1.049 129 V CA 1.609 63.834 62.300 -0.125 0.000 1.024 129 V CB -0.670 31.006 31.823 -0.245 0.000 0.648 129 V HN 0.417 nan 8.190 nan 0.000 0.447 130 N N 0.220 118.840 118.700 -0.134 0.000 2.069 130 N HA -0.143 4.597 4.740 0.000 0.000 0.191 130 N C 1.994 177.464 175.510 -0.067 0.000 1.031 130 N CA 1.499 54.490 53.050 -0.099 0.000 0.852 130 N CB -0.332 38.096 38.487 -0.099 0.000 1.018 130 N HN 0.477 nan 8.380 nan 0.000 0.423 131 R N 0.063 120.516 120.500 -0.078 0.000 2.073 131 R HA -0.009 4.332 4.340 0.000 0.000 0.229 131 R C 2.106 178.356 176.300 -0.084 0.000 1.120 131 R CA 0.523 56.583 56.100 -0.066 0.000 0.967 131 R CB -0.461 29.803 30.300 -0.060 0.000 0.862 131 R HN 0.130 nan 8.270 nan 0.000 0.436 132 L N -0.142 120.991 121.223 -0.150 0.000 1.994 132 L HA -0.176 4.164 4.340 0.000 0.000 0.208 132 L C 1.300 178.013 176.870 -0.261 0.000 1.071 132 L CA 1.842 56.523 54.840 -0.265 0.000 0.745 132 L CB -0.248 41.536 42.059 -0.459 0.000 0.892 132 L HN 0.106 nan 8.230 nan 0.000 0.431 133 Y N -0.077 120.216 120.300 -0.011 0.000 2.457 133 Y HA 0.436 4.987 4.550 0.000 0.000 0.263 133 Y C 1.707 177.590 175.900 -0.027 0.000 1.164 133 Y CA -0.161 57.932 58.100 -0.012 0.000 1.274 133 Y CB -0.393 38.051 38.460 -0.028 0.000 1.097 133 Y HN 0.253 nan 8.280 nan 0.000 0.523 134 G N 1.003 109.848 108.800 0.074 0.000 2.221 134 G HA2 -0.289 3.671 3.960 0.000 0.000 0.265 134 G HA3 -0.289 3.671 3.960 0.000 0.000 0.265 134 G C -0.015 174.899 174.900 0.023 0.000 1.041 134 G CA 0.225 45.346 45.100 0.035 0.000 0.807 134 G HN 0.301 nan 8.290 nan 0.000 0.502 135 L N -0.870 120.359 121.223 0.009 0.000 2.469 135 L HA 0.521 4.861 4.340 0.000 0.000 0.253 135 L C 1.057 177.896 176.870 -0.051 0.000 1.143 135 L CA -0.929 53.892 54.840 -0.033 0.000 0.804 135 L CB 0.674 42.677 42.059 -0.094 0.000 1.214 135 L HN 0.055 nan 8.230 nan 0.000 0.476 136 N N 1.018 119.684 118.700 -0.056 0.000 2.571 136 N HA 0.300 5.040 4.740 0.000 0.000 0.298 136 N C -0.869 174.606 175.510 -0.058 0.000 1.671 136 N CA -0.098 52.922 53.050 -0.050 0.000 0.900 136 N CB 0.605 39.074 38.487 -0.030 0.000 1.365 136 N HN 0.382 nan 8.380 nan 0.000 0.493 137 L N 1.113 122.280 121.223 -0.093 0.000 2.439 137 L HA 0.196 4.537 4.340 0.000 0.000 0.269 137 L C 1.506 178.326 176.870 -0.083 0.000 1.179 137 L CA 0.018 54.801 54.840 -0.095 0.000 0.828 137 L CB 0.580 42.537 42.059 -0.170 0.000 1.106 137 L HN 0.138 nan 8.230 nan 0.000 0.467 138 T N -1.544 112.982 114.554 -0.046 0.000 2.847 138 T HA 0.141 4.491 4.350 0.000 0.000 0.279 138 T C 1.163 175.790 174.700 -0.122 0.000 0.984 138 T CA -0.549 61.520 62.100 -0.051 0.000 0.988 138 T CB 1.548 70.453 68.868 0.063 0.000 1.040 138 T HN 0.535 nan 8.240 nan 0.000 0.528 139 S N 0.342 115.888 115.700 -0.256 0.000 2.365 139 S HA -0.083 4.387 4.470 0.000 0.000 0.225 139 S C 1.550 175.979 174.600 -0.285 0.000 1.039 139 S CA 1.566 59.556 58.200 -0.349 0.000 1.033 139 S CB -0.825 62.039 63.200 -0.561 0.000 0.887 139 S HN 0.670 nan 8.310 nan 0.000 0.447 140 F N 1.612 121.548 119.950 -0.023 0.000 2.102 140 F HA -0.119 4.408 4.527 0.000 0.000 0.298 140 F C 2.641 178.433 175.800 -0.015 0.000 1.105 140 F CA 1.062 59.054 58.000 -0.013 0.000 1.239 140 F CB -0.932 38.061 39.000 -0.012 0.000 0.991 140 F HN 0.234 nan 8.300 nan 0.000 0.474 141 Q N -0.383 119.503 119.800 0.143 0.000 2.167 141 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 141 Q C 2.437 178.442 176.000 0.009 0.000 0.970 141 Q CA 1.240 57.084 55.803 0.069 0.000 0.855 141 Q CB -0.494 28.268 28.738 0.040 0.000 0.911 141 Q HN 0.351 nan 8.270 nan 0.000 0.438 142 V N 0.892 120.759 119.914 -0.078 0.000 2.626 142 V HA -0.234 3.886 4.120 0.000 0.000 0.252 142 V C 1.988 177.975 176.094 -0.179 0.000 1.067 142 V CA 1.740 63.903 62.300 -0.228 0.000 1.081 142 V CB -0.112 31.507 31.823 -0.340 0.000 0.686 142 V HN 0.366 nan 8.190 nan 0.000 0.468 143 E N -0.230 119.972 120.200 0.003 0.000 2.106 143 E HA -0.225 4.125 4.350 0.000 0.000 0.192 143 E C 2.076 178.754 176.600 0.129 0.000 0.984 143 E CA 1.532 58.009 56.400 0.128 0.000 0.806 143 E CB 0.004 29.781 29.700 0.127 0.000 0.750 143 E HN 0.805 nan 8.360 nan 0.000 0.458 144 E N -0.235 120.020 120.200 0.092 0.000 2.158 144 E HA -0.150 4.200 4.350 0.000 0.000 0.191 144 E C 1.904 178.548 176.600 0.073 0.000 0.982 144 E CA 0.519 56.965 56.400 0.078 0.000 0.823 144 E CB -0.263 29.476 29.700 0.065 0.000 0.766 144 E HN 0.279 nan 8.360 nan 0.000 0.468 145 F N 1.448 121.347 119.950 -0.085 0.000 2.102 145 F HA -0.208 4.319 4.527 0.000 0.000 0.298 145 F C 1.878 177.662 175.800 -0.027 0.000 1.105 145 F CA 1.334 59.264 58.000 -0.117 0.000 1.239 145 F CB -0.111 38.743 39.000 -0.243 0.000 0.991 145 F HN -0.164 nan 8.300 nan 0.000 0.474 146 F N 0.986 121.048 119.950 0.186 0.000 2.102 146 F HA -0.123 4.404 4.527 0.001 0.000 0.298 146 F C 2.700 178.462 175.800 -0.062 0.000 1.105 146 F CA 1.079 59.114 58.000 0.060 0.000 1.239 146 F CB -1.717 37.353 39.000 0.116 0.000 0.991 146 F HN 0.083 nan 8.300 nan 0.000 0.474 147 A N -0.295 122.625 122.820 0.167 0.000 1.978 147 A HA -0.209 4.111 4.320 0.000 0.000 0.220 147 A C 2.292 179.867 177.584 -0.015 0.000 1.170 147 A CA 2.111 54.186 52.037 0.062 0.000 0.636 147 A CB -1.139 17.895 19.000 0.057 0.000 0.810 147 A HN 0.420 nan 8.150 nan 0.000 0.448 148 S N -0.750 114.903 115.700 -0.077 0.000 2.562 148 S HA 0.073 4.543 4.470 0.000 0.000 0.221 148 S C 1.266 175.757 174.600 -0.181 0.000 0.975 148 S CA 0.978 59.099 58.200 -0.131 0.000 0.918 148 S CB -0.261 62.844 63.200 -0.159 0.000 0.772 148 S HN 1.060 nan 8.310 nan 0.000 0.531 149 V N -2.703 117.093 119.914 -0.197 0.000 3.604 149 V HA 0.654 4.774 4.120 0.000 0.000 0.277 149 V C 0.945 176.997 176.094 -0.069 0.000 1.399 149 V CA -0.258 61.942 62.300 -0.167 0.000 1.034 149 V CB -0.807 30.861 31.823 -0.259 0.000 0.824 149 V HN 0.518 nan 8.190 nan 0.000 0.439 150 A N 1.120 123.916 122.820 -0.040 0.000 2.507 150 A HA 0.315 4.635 4.320 0.000 0.000 0.235 150 A C 0.289 177.845 177.584 -0.046 0.000 1.070 150 A CA 0.247 52.266 52.037 -0.032 0.000 0.768 150 A CB -0.156 18.831 19.000 -0.021 0.000 1.011 150 A HN 0.674 nan 8.150 nan 0.000 0.502 151 E N 0.981 121.147 120.200 -0.058 0.000 2.231 151 E HA 0.214 4.564 4.350 0.000 0.000 0.277 151 E C -0.489 176.076 176.600 -0.058 0.000 0.999 151 E CA -0.832 55.532 56.400 -0.060 0.000 0.827 151 E CB 0.989 30.643 29.700 -0.076 0.000 1.101 151 E HN 0.438 nan 8.360 nan 0.000 0.393 152 K N 1.827 122.198 120.400 -0.048 0.000 2.379 152 K HA 0.179 4.500 4.320 0.000 0.000 0.284 152 K C -0.884 175.686 176.600 -0.050 0.000 1.044 152 K CA -0.015 56.246 56.287 -0.044 0.000 0.974 152 K CB 0.799 33.278 32.500 -0.035 0.000 0.962 152 K HN 0.221 nan 8.250 nan 0.000 0.474 153 V N 3.476 123.359 119.914 -0.051 0.000 2.447 153 V HA 0.040 4.160 4.120 0.000 0.000 0.292 153 V C 1.396 177.465 176.094 -0.042 0.000 1.021 153 V CA -0.618 61.651 62.300 -0.052 0.000 0.850 153 V CB 1.356 33.140 31.823 -0.065 0.000 1.005 153 V HN 0.835 nan 8.190 nan 0.000 0.426 154 E N 3.613 123.792 120.200 -0.035 0.000 2.086 154 E HA -0.237 4.113 4.350 0.000 0.000 0.200 154 E C 0.790 177.372 176.600 -0.029 0.000 1.012 154 E CA 1.636 58.018 56.400 -0.029 0.000 0.812 154 E CB 0.312 29.997 29.700 -0.025 0.000 0.743 154 E HN 0.726 nan 8.360 nan 0.000 0.453 155 Q N 0.072 119.853 119.800 -0.032 0.000 2.263 155 Q HA 0.272 4.612 4.340 0.000 0.000 0.266 155 Q C -1.698 174.279 176.000 -0.038 0.000 1.002 155 Q CA -0.565 55.219 55.803 -0.031 0.000 0.790 155 Q CB 2.259 30.982 28.738 -0.025 0.000 1.272 155 Q HN 0.025 nan 8.270 nan 0.000 0.435 156 V N 5.576 125.465 119.914 -0.041 0.000 2.409 156 V HA 0.063 4.184 4.120 0.000 0.000 0.270 156 V C 0.948 177.017 176.094 -0.041 0.000 1.019 156 V CA 0.877 63.148 62.300 -0.049 0.000 1.066 156 V CB 0.329 32.120 31.823 -0.053 0.000 1.021 156 V HN 0.796 nan 8.190 nan 0.000 0.476 157 R N 1.987 122.461 120.500 -0.042 0.000 2.243 157 R HA 0.126 4.466 4.340 0.000 0.000 0.193 157 R C 1.077 177.355 176.300 -0.037 0.000 0.933 157 R CA 0.674 56.754 56.100 -0.034 0.000 1.105 157 R CB 0.686 30.970 30.300 -0.027 0.000 1.169 157 R HN 0.772 nan 8.270 nan 0.000 0.599 158 T N -2.744 111.784 114.554 -0.044 0.000 2.923 158 T HA 0.235 4.586 4.350 0.000 0.000 0.281 158 T C 0.980 175.649 174.700 -0.050 0.000 0.995 158 T CA -0.616 61.459 62.100 -0.043 0.000 0.985 158 T CB 1.885 70.732 68.868 -0.035 0.000 1.114 158 T HN -0.182 nan 8.240 nan 0.000 0.548 159 S N -0.447 115.227 115.700 -0.043 0.000 2.447 159 S HA -0.068 4.402 4.470 0.000 0.000 0.233 159 S C 1.775 176.376 174.600 0.002 0.000 1.006 159 S CA 1.014 59.193 58.200 -0.035 0.000 0.957 159 S CB -0.452 62.731 63.200 -0.028 0.000 0.773 159 S HN 0.845 nan 8.310 nan 0.000 0.507 160 E N 1.051 121.266 120.200 0.026 0.000 2.072 160 E HA -0.161 4.189 4.350 0.000 0.000 0.190 160 E C 1.082 177.576 176.600 -0.176 0.000 0.982 160 E CA 1.036 57.423 56.400 -0.022 0.000 0.803 160 E CB -0.029 29.636 29.700 -0.058 0.000 0.755 160 E HN 0.309 nan 8.360 nan 0.000 0.453 161 D N 0.693 121.018 120.400 -0.126 0.000 2.106 161 D HA -0.190 4.450 4.640 0.000 0.000 0.191 161 D C 2.168 178.388 176.300 -0.134 0.000 0.997 161 D CA 2.153 56.077 54.000 -0.127 0.000 0.834 161 D CB -0.495 40.252 40.800 -0.088 0.000 0.956 161 D HN 0.295 nan 8.370 nan 0.000 0.448 162 V N -0.700 119.139 119.914 -0.124 0.000 2.392 162 V HA -0.199 3.921 4.120 0.000 0.000 0.249 162 V C 2.406 178.389 176.094 -0.185 0.000 1.059 162 V CA 1.362 63.578 62.300 -0.140 0.000 1.051 162 V CB -1.061 30.680 31.823 -0.137 0.000 0.658 162 V HN 0.025 nan 8.190 nan 0.000 0.455 163 V N -0.608 119.179 119.914 -0.212 0.000 2.300 163 V HA -0.067 4.053 4.120 0.000 0.000 0.241 163 V C 2.613 178.619 176.094 -0.147 0.000 1.034 163 V CA 1.634 63.793 62.300 -0.234 0.000 1.021 163 V CB -0.139 31.539 31.823 -0.242 0.000 0.662 163 V HN 0.366 nan 8.190 nan 0.000 0.458 164 V N 1.414 121.209 119.914 -0.197 0.000 2.568 164 V HA -0.212 3.909 4.120 0.000 0.000 0.253 164 V C 2.534 178.545 176.094 -0.137 0.000 1.072 164 V CA 2.389 64.563 62.300 -0.210 0.000 1.084 164 V CB -0.328 31.261 31.823 -0.390 0.000 0.676 164 V HN 0.766 nan 8.190 nan 0.000 0.469 165 S N -2.078 113.540 115.700 -0.136 0.000 2.593 165 S HA 0.066 4.537 4.470 0.000 0.000 0.217 165 S C 1.509 176.051 174.600 -0.097 0.000 0.966 165 S CA 0.404 58.542 58.200 -0.103 0.000 0.914 165 S CB 0.056 63.198 63.200 -0.095 0.000 0.776 165 S HN 0.648 nan 8.310 nan 0.000 0.523 166 K N 0.442 120.767 120.400 -0.125 0.000 2.362 166 K HA 0.232 4.552 4.320 0.000 0.000 0.203 166 K C 1.407 177.887 176.600 -0.200 0.000 1.198 166 K CA 0.929 57.119 56.287 -0.162 0.000 0.908 166 K CB 0.593 32.961 32.500 -0.221 0.000 1.236 166 K HN 0.321 nan 8.250 nan 0.000 0.487 167 V N -1.910 117.897 119.914 -0.180 0.000 3.528 167 V HA 0.448 4.568 4.120 0.000 0.000 0.294 167 V C 0.506 176.668 176.094 0.112 0.000 1.404 167 V CA 0.130 62.364 62.300 -0.109 0.000 1.065 167 V CB -0.306 31.409 31.823 -0.180 0.000 0.904 167 V HN 0.393 nan 8.190 nan 0.000 0.435 168 G N 1.746 110.571 108.800 0.042 0.000 2.750 168 G HA2 -0.308 3.652 3.960 0.000 0.000 0.228 168 G HA3 -0.308 3.652 3.960 0.000 0.000 0.228 168 G C 0.240 175.206 174.900 0.110 0.000 1.367 168 G CA 0.601 45.730 45.100 0.049 0.000 0.871 168 G HN 0.761 nan 8.290 nan 0.000 0.560 169 R N -0.513 120.051 120.500 0.106 0.000 2.156 169 R HA 0.142 4.483 4.340 0.000 0.000 0.207 169 R C 2.069 178.527 176.300 0.264 0.000 1.040 169 R CA 1.744 57.934 56.100 0.151 0.000 1.013 169 R CB -0.481 29.863 30.300 0.073 0.000 0.931 169 R HN 0.583 nan 8.270 nan 0.000 0.465 170 D N 0.013 120.558 120.400 0.242 0.000 2.097 170 D HA -0.120 4.520 4.640 0.000 0.000 0.197 170 D C 1.710 178.221 176.300 0.351 0.000 0.984 170 D CA 1.371 55.538 54.000 0.278 0.000 0.826 170 D CB 0.041 41.017 40.800 0.294 0.000 0.973 170 D HN 0.294 nan 8.370 nan 0.000 0.460 171 L N -0.562 120.916 121.223 0.425 0.000 2.056 171 L HA -0.132 4.209 4.340 0.000 0.000 0.207 171 L C 2.335 179.531 176.870 0.543 0.000 1.078 171 L CA 1.035 56.186 54.840 0.518 0.000 0.749 171 L CB -0.705 41.646 42.059 0.486 0.000 0.901 171 L HN 0.163 nan 8.230 nan 0.000 0.433 172 Y N 1.672 122.173 120.300 0.334 0.000 2.069 172 Y HA -0.361 4.189 4.550 0.000 0.000 0.278 172 Y C 2.474 178.562 175.900 0.315 0.000 1.175 172 Y CA 2.086 60.386 58.100 0.335 0.000 1.134 172 Y CB -0.338 38.225 38.460 0.172 0.000 0.965 172 Y HN 0.224 nan 8.280 nan 0.000 0.498 173 N N 0.443 119.299 118.700 0.260 0.000 2.120 173 N HA -0.155 4.585 4.740 0.000 0.000 0.188 173 N C 1.693 177.211 175.510 0.014 0.000 1.024 173 N CA 1.740 54.841 53.050 0.085 0.000 0.852 173 N CB -0.309 38.276 38.487 0.164 0.000 1.003 173 N HN 0.483 nan 8.380 nan 0.000 0.424 174 K N -0.824 119.610 120.400 0.057 0.000 2.116 174 K HA 0.032 4.352 4.320 0.000 0.000 0.203 174 K C 1.130 177.496 176.600 -0.391 0.000 1.052 174 K CA 0.871 57.050 56.287 -0.180 0.000 0.952 174 K CB 0.017 32.366 32.500 -0.251 0.000 0.729 174 K HN 0.169 nan 8.250 nan 0.000 0.446 175 F N -1.972 117.926 119.950 -0.087 0.000 2.637 175 F HA 0.166 4.693 4.527 0.000 0.000 0.284 175 F C 1.463 177.001 175.800 -0.436 0.000 1.105 175 F CA 0.084 57.908 58.000 -0.292 0.000 1.356 175 F CB 0.294 39.046 39.000 -0.412 0.000 1.096 175 F HN -0.138 nan 8.300 nan 0.000 0.616 176 F N -0.678 119.296 119.950 0.039 0.000 2.537 176 F HA 0.258 4.785 4.527 0.000 0.000 0.277 176 F C 2.376 178.079 175.800 -0.161 0.000 1.013 176 F CA 0.147 58.119 58.000 -0.048 0.000 1.332 176 F CB -0.522 38.435 39.000 -0.072 0.000 1.108 176 F HN -0.377 nan 8.300 nan 0.000 0.679 177 R N 0.757 121.084 120.500 -0.288 0.000 2.082 177 R HA -0.122 4.218 4.340 0.000 0.000 0.234 177 R C 2.386 178.668 176.300 -0.030 0.000 1.136 177 R CA 1.913 57.830 56.100 -0.305 0.000 0.935 177 R CB -1.077 28.980 30.300 -0.404 0.000 0.842 177 R HN 0.381 nan 8.270 nan 0.000 0.430 178 G N -0.468 108.322 108.800 -0.017 0.000 2.446 178 G HA2 -0.346 3.615 3.960 0.000 0.000 0.217 178 G HA3 -0.346 3.615 3.960 0.000 0.000 0.217 178 G C 1.342 176.281 174.900 0.065 0.000 1.168 178 G CA 0.970 46.080 45.100 0.017 0.000 0.771 178 G HN 0.502 nan 8.290 nan 0.000 0.551 179 Y N 1.666 121.961 120.300 -0.008 0.000 2.145 179 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 179 Y C 3.191 179.150 175.900 0.098 0.000 1.145 179 Y CA 2.285 60.401 58.100 0.026 0.000 1.148 179 Y CB -0.236 38.227 38.460 0.004 0.000 0.981 179 Y HN 0.210 nan 8.280 nan 0.000 0.507 180 T N 0.383 115.156 114.554 0.366 0.000 2.777 180 T HA -0.149 4.201 4.350 0.000 0.000 0.266 180 T C 1.878 176.761 174.700 0.305 0.000 1.040 180 T CA 1.579 63.940 62.100 0.436 0.000 1.141 180 T CB -0.195 68.910 68.868 0.395 0.000 0.868 180 T HN 0.320 nan 8.240 nan 0.000 0.444 181 R N 0.771 121.371 120.500 0.167 0.000 2.081 181 R HA -0.025 4.315 4.340 0.000 0.000 0.235 181 R C 2.572 178.906 176.300 0.057 0.000 1.131 181 R CA 1.314 57.485 56.100 0.118 0.000 0.960 181 R CB -0.184 30.162 30.300 0.075 0.000 0.856 181 R HN 0.294 nan 8.270 nan 0.000 0.436 182 K N 0.781 121.168 120.400 -0.022 0.000 2.009 182 K HA -0.275 4.046 4.320 0.000 0.000 0.210 182 K C 2.252 178.755 176.600 -0.162 0.000 1.049 182 K CA 1.935 58.159 56.287 -0.105 0.000 0.929 182 K CB -0.011 32.377 32.500 -0.187 0.000 0.714 182 K HN -0.049 nan 8.250 nan 0.000 0.440 183 Q N -0.719 118.926 119.800 -0.258 0.000 2.079 183 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 183 Q C 1.269 176.979 176.000 -0.484 0.000 0.974 183 Q CA 2.046 57.574 55.803 -0.458 0.000 0.840 183 Q CB -0.171 28.209 28.738 -0.596 0.000 0.898 183 Q HN 0.481 nan 8.270 nan 0.000 0.430 184 W N -1.367 119.896 121.300 -0.062 0.000 2.907 184 W HA 0.409 5.069 4.660 0.000 0.000 0.271 184 W C 1.165 177.682 176.519 -0.003 0.000 1.253 184 W CA 0.252 57.580 57.345 -0.029 0.000 1.501 184 W CB 0.329 29.797 29.460 0.012 0.000 1.047 184 W HN 0.270 nan 8.180 nan 0.000 0.610 185 G N 0.919 109.830 108.800 0.185 0.000 2.160 185 G HA2 -0.236 3.724 3.960 0.000 0.000 0.251 185 G HA3 -0.236 3.724 3.960 0.000 0.000 0.251 185 G C -0.657 174.332 174.900 0.147 0.000 1.008 185 G CA 0.035 45.212 45.100 0.127 0.000 0.724 185 G HN 0.078 nan 8.290 nan 0.000 0.514 186 L N -0.248 121.091 121.223 0.194 0.000 2.422 186 L HA 0.611 4.952 4.340 0.000 0.000 0.264 186 L C -0.072 176.878 176.870 0.134 0.000 0.984 186 L CA -1.372 53.555 54.840 0.144 0.000 0.819 186 L CB 1.855 43.993 42.059 0.132 0.000 1.330 186 L HN 0.240 nan 8.230 nan 0.000 0.410 187 D N 2.909 123.368 120.400 0.100 0.000 2.362 187 D HA 0.247 4.887 4.640 0.000 0.000 0.242 187 D C -1.651 174.707 176.300 0.097 0.000 1.132 187 D CA -0.994 53.072 54.000 0.110 0.000 0.907 187 D CB 1.483 42.344 40.800 0.102 0.000 1.195 187 D HN 0.309 nan 8.370 nan 0.000 0.429 188 P HA -0.141 nan 4.420 nan 0.000 0.219 188 P C 0.982 178.324 177.300 0.068 0.000 1.146 188 P CA 1.048 64.220 63.100 0.119 0.000 0.808 188 P CB -0.031 31.826 31.700 0.262 0.000 0.779 189 S N -0.692 115.055 115.700 0.080 0.000 2.469 189 S HA -0.129 4.341 4.470 0.000 0.000 0.238 189 S C 1.443 176.048 174.600 0.009 0.000 0.998 189 S CA 0.938 59.157 58.200 0.031 0.000 0.957 189 S CB -0.931 62.289 63.200 0.033 0.000 0.764 189 S HN 0.294 nan 8.310 nan 0.000 0.514 190 E N 0.358 120.563 120.200 0.008 0.000 2.476 190 E HA 0.333 4.683 4.350 0.000 0.000 0.196 190 E C -0.407 176.164 176.600 -0.048 0.000 1.029 190 E CA -0.109 56.287 56.400 -0.007 0.000 0.896 190 E CB 0.259 29.968 29.700 0.015 0.000 1.012 190 E HN 0.522 nan 8.360 nan 0.000 0.475 191 L N 0.974 122.148 121.223 -0.082 0.000 2.342 191 L HA 0.322 4.662 4.340 0.000 0.000 0.271 191 L C -0.053 176.754 176.870 -0.105 0.000 1.008 191 L CA -1.161 53.585 54.840 -0.156 0.000 0.818 191 L CB 1.682 43.555 42.059 -0.310 0.000 1.296 191 L HN -0.122 nan 8.230 nan 0.000 0.427 192 D N 1.091 121.433 120.400 -0.096 0.000 2.449 192 D HA 0.080 4.721 4.640 0.000 0.000 0.236 192 D C 1.035 177.300 176.300 -0.058 0.000 1.149 192 D CA 0.642 54.609 54.000 -0.055 0.000 0.878 192 D CB 1.454 42.236 40.800 -0.030 0.000 1.198 192 D HN 0.622 nan 8.370 nan 0.000 0.446 193 A N 2.496 125.291 122.820 -0.043 0.000 2.024 193 A HA -0.190 4.130 4.320 0.000 0.000 0.220 193 A C 2.149 179.709 177.584 -0.039 0.000 1.164 193 A CA 1.958 53.967 52.037 -0.047 0.000 0.643 193 A CB -0.956 18.016 19.000 -0.046 0.000 0.806 193 A HN 0.654 nan 8.150 nan 0.000 0.451 194 S N -0.468 115.221 115.700 -0.020 0.000 2.442 194 S HA -0.115 4.355 4.470 0.000 0.000 0.236 194 S C 1.679 176.285 174.600 0.010 0.000 1.007 194 S CA 1.317 59.515 58.200 -0.003 0.000 0.965 194 S CB -0.829 62.385 63.200 0.024 0.000 0.773 194 S HN 0.262 nan 8.310 nan 0.000 0.504 195 V N 2.967 122.893 119.914 0.020 0.000 2.244 195 V HA -0.154 3.966 4.120 0.000 0.000 0.244 195 V C 3.157 179.325 176.094 0.123 0.000 1.042 195 V CA 2.236 64.595 62.300 0.098 0.000 1.006 195 V CB -1.533 30.264 31.823 -0.043 0.000 0.641 195 V HN 0.853 nan 8.190 nan 0.000 0.446 196 T N -1.441 113.144 114.554 0.052 0.000 3.055 196 T HA 0.092 4.443 4.350 0.000 0.000 0.265 196 T C 1.760 176.422 174.700 -0.064 0.000 1.111 196 T CA 0.950 63.063 62.100 0.021 0.000 1.118 196 T CB -0.214 68.576 68.868 -0.130 0.000 0.909 196 T HN 0.424 nan 8.240 nan 0.000 0.501 197 A N 1.828 124.610 122.820 -0.063 0.000 2.121 197 A HA 0.046 4.367 4.320 0.000 0.000 0.218 197 A C 2.486 180.041 177.584 -0.049 0.000 1.154 197 A CA 0.770 52.762 52.037 -0.074 0.000 0.679 197 A CB -0.645 18.317 19.000 -0.063 0.000 0.795 197 A HN 0.500 nan 8.150 nan 0.000 0.458 198 R N -0.770 119.719 120.500 -0.020 0.000 2.105 198 R HA -0.074 4.266 4.340 0.000 0.000 0.239 198 R C -0.081 176.197 176.300 -0.036 0.000 1.135 198 R CA 1.317 57.405 56.100 -0.020 0.000 0.967 198 R CB -0.198 30.095 30.300 -0.012 0.000 0.861 198 R HN 0.316 nan 8.270 nan 0.000 0.442 199 V N 3.646 123.558 119.914 -0.004 0.000 2.192 199 V HA 0.198 4.319 4.120 0.000 0.000 0.264 199 V C -2.095 173.982 176.094 -0.028 0.000 1.155 199 V CA -1.602 60.668 62.300 -0.049 0.000 1.005 199 V CB 0.539 32.419 31.823 0.095 0.000 1.201 199 V HN 0.091 nan 8.190 nan 0.000 0.468 200 P HA 0.255 nan 4.420 nan 0.000 0.278 200 P C 0.198 177.427 177.300 -0.119 0.000 1.238 200 P CA 0.140 63.173 63.100 -0.111 0.000 0.794 200 P CB 1.262 32.896 31.700 -0.110 0.000 0.955 201 T N 1.175 115.645 114.554 -0.140 0.000 2.882 201 T HA 0.457 4.807 4.350 0.000 0.000 0.287 201 T C 0.274 174.901 174.700 -0.121 0.000 1.014 201 T CA -0.646 61.357 62.100 -0.161 0.000 1.049 201 T CB 0.881 69.570 68.868 -0.299 0.000 1.001 201 T HN 0.392 nan 8.240 nan 0.000 0.525 202 R N 0.105 120.572 120.500 -0.055 0.000 2.854 202 R HA 0.539 4.879 4.340 0.000 0.000 0.271 202 R C 1.005 177.374 176.300 0.116 0.000 0.994 202 R CA -0.578 55.518 56.100 -0.007 0.000 0.945 202 R CB 1.728 31.997 30.300 -0.052 0.000 1.194 202 R HN 0.925 nan 8.270 nan 0.000 0.476 203 T N -3.150 111.453 114.554 0.082 0.000 3.001 203 T HA 0.005 4.355 4.350 0.000 0.000 0.251 203 T C 0.753 175.427 174.700 -0.044 0.000 1.040 203 T CA -0.177 61.969 62.100 0.076 0.000 0.985 203 T CB -0.195 68.713 68.868 0.066 0.000 1.011 203 T HN 0.579 nan 8.240 nan 0.000 0.509 204 N N 2.128 120.792 118.700 -0.061 0.000 2.385 204 N HA 0.208 4.948 4.740 0.000 0.000 0.291 204 N C 0.400 175.854 175.510 -0.093 0.000 1.298 204 N CA -0.831 52.159 53.050 -0.100 0.000 0.955 204 N CB 0.292 38.721 38.487 -0.096 0.000 1.096 204 N HN 0.166 nan 8.380 nan 0.000 0.543 205 R N -1.787 118.655 120.500 -0.097 0.000 2.613 205 R HA 0.203 4.543 4.340 0.000 0.000 0.361 205 R C -0.748 175.499 176.300 -0.088 0.000 1.072 205 R CA -0.503 55.543 56.100 -0.091 0.000 1.089 205 R CB -0.173 30.074 30.300 -0.089 0.000 1.343 205 R HN 0.544 nan 8.270 nan 0.000 0.571 206 D N 2.181 122.527 120.400 -0.090 0.000 2.371 206 D HA -0.033 4.607 4.640 0.000 0.000 0.256 206 D C 0.516 176.752 176.300 -0.108 0.000 1.193 206 D CA 0.155 54.098 54.000 -0.095 0.000 0.881 206 D CB 0.799 41.542 40.800 -0.095 0.000 1.143 206 D HN 0.197 nan 8.370 nan 0.000 0.473 207 N N 2.761 121.396 118.700 -0.108 0.000 2.205 207 N HA 0.008 4.748 4.740 0.000 0.000 0.201 207 N C -0.032 175.395 175.510 -0.137 0.000 1.128 207 N CA -0.318 52.660 53.050 -0.121 0.000 0.867 207 N CB 0.026 38.447 38.487 -0.110 0.000 0.996 207 N HN 0.157 nan 8.380 nan 0.000 0.503 208 R N -0.006 120.413 120.500 -0.135 0.000 2.623 208 R HA 0.017 4.357 4.340 0.000 0.000 0.271 208 R C 0.432 176.615 176.300 -0.194 0.000 1.043 208 R CA -0.281 55.732 56.100 -0.145 0.000 1.083 208 R CB 0.303 30.537 30.300 -0.110 0.000 0.974 208 R HN 0.077 nan 8.270 nan 0.000 0.436 209 Y N 1.710 121.760 120.300 -0.418 0.000 2.352 209 Y HA 0.011 4.561 4.550 0.000 0.000 0.292 209 Y C -0.208 175.224 175.900 -0.780 0.000 1.136 209 Y CA 1.170 58.877 58.100 -0.655 0.000 1.227 209 Y CB 0.380 38.323 38.460 -0.862 0.000 0.991 209 Y HN 0.384 nan 8.280 nan 0.000 0.545 210 F N -1.965 117.903 119.950 -0.137 0.000 2.551 210 F HA 0.558 5.085 4.527 0.000 0.000 0.316 210 F C 0.574 176.269 175.800 -0.175 0.000 1.089 210 F CA -0.704 57.155 58.000 -0.236 0.000 0.915 210 F CB 1.625 40.410 39.000 -0.359 0.000 1.186 210 F HN -0.237 nan 8.300 nan 0.000 0.456 211 A N 0.651 123.485 122.820 0.024 0.000 2.465 211 A HA 0.247 4.567 4.320 0.000 0.000 0.255 211 A C -0.218 177.343 177.584 -0.038 0.000 1.274 211 A CA -0.322 51.696 52.037 -0.032 0.000 0.920 211 A CB -0.665 18.298 19.000 -0.061 0.000 1.033 211 A HN 0.715 nan 8.150 nan 0.000 0.516 212 D N 0.259 120.657 120.400 -0.004 0.000 2.478 212 D HA 0.108 4.748 4.640 0.000 0.000 0.234 212 D C 1.341 177.561 176.300 -0.133 0.000 1.154 212 D CA 0.854 54.828 54.000 -0.043 0.000 0.874 212 D CB 0.647 41.447 40.800 -0.000 0.000 1.198 212 D HN 0.156 nan 8.370 nan 0.000 0.455 213 T N 0.831 115.250 114.554 -0.224 0.000 2.684 213 T HA -0.175 4.176 4.350 0.000 0.000 0.267 213 T C 0.371 174.665 174.700 -0.677 0.000 1.036 213 T CA 1.303 63.115 62.100 -0.480 0.000 1.148 213 T CB -0.259 68.215 68.868 -0.657 0.000 0.863 213 T HN 0.359 nan 8.240 nan 0.000 0.436 214 Y N 1.463 121.599 120.300 -0.273 0.000 2.356 214 Y HA 0.516 5.067 4.550 0.000 0.000 0.334 214 Y C 0.161 175.878 175.900 -0.306 0.000 0.958 214 Y CA -0.971 56.842 58.100 -0.477 0.000 1.196 214 Y CB 0.826 38.789 38.460 -0.828 0.000 1.137 214 Y HN 0.028 nan 8.280 nan 0.000 0.485 215 Q N 2.868 122.603 119.800 -0.108 0.000 2.309 215 Q HA 0.864 5.204 4.340 0.000 0.000 0.270 215 Q C -1.246 174.826 176.000 0.121 0.000 1.023 215 Q CA -0.958 54.873 55.803 0.048 0.000 0.758 215 Q CB 2.455 31.224 28.738 0.052 0.000 1.247 215 Q HN 0.786 nan 8.270 nan 0.000 0.455 216 A N 2.741 125.733 122.820 0.286 0.000 2.590 216 A HA 0.633 4.953 4.320 0.000 0.000 0.296 216 A C -1.560 176.393 177.584 0.614 0.000 1.050 216 A CA -0.755 51.516 52.037 0.390 0.000 0.697 216 A CB 1.364 20.515 19.000 0.251 0.000 1.277 216 A HN 0.522 nan 8.150 nan 0.000 0.411 217 M N 1.374 121.313 119.600 0.564 0.000 2.423 217 M HA 0.421 4.901 4.480 0.000 0.000 0.335 217 M C -2.550 173.904 176.300 0.256 0.000 1.177 217 M CA -2.519 53.020 55.300 0.399 0.000 1.038 217 M CB 0.696 33.412 32.600 0.193 0.000 1.641 217 M HN 0.300 nan 8.290 nan 0.000 0.455 218 P HA 0.008 nan 4.420 nan 0.000 0.263 218 P C 0.889 177.972 177.300 -0.363 0.000 1.195 218 P CA -0.126 62.664 63.100 -0.516 0.000 0.762 218 P CB 0.328 31.612 31.700 -0.694 0.000 0.799 219 L N 4.659 125.641 121.223 -0.402 0.000 2.043 219 L HA -0.206 4.134 4.340 0.000 0.000 0.212 219 L C 1.358 177.906 176.870 -0.536 0.000 1.075 219 L CA 2.140 56.712 54.840 -0.448 0.000 0.752 219 L CB -0.813 40.885 42.059 -0.601 0.000 0.891 219 L HN 0.485 nan 8.230 nan 0.000 0.432 220 H N -0.775 118.202 119.070 -0.156 0.000 2.486 220 H HA 0.536 5.092 4.556 0.000 0.000 0.284 220 H C 0.852 176.102 175.328 -0.131 0.000 1.103 220 H CA 0.405 56.392 56.048 -0.101 0.000 1.089 220 H CB -0.354 29.364 29.762 -0.072 0.000 1.603 220 H HN 0.361 nan 8.280 nan 0.000 0.557 221 G N 0.097 108.798 108.800 -0.165 0.000 2.662 221 G HA2 -0.256 3.704 3.960 0.000 0.000 0.686 221 G HA3 -0.256 3.704 3.960 0.000 0.000 0.686 221 G C 0.048 174.800 174.900 -0.247 0.000 1.271 221 G CA -0.530 44.439 45.100 -0.217 0.000 0.816 221 G HN 0.235 nan 8.290 nan 0.000 0.608 222 Y N 0.454 120.689 120.300 -0.107 0.000 2.181 222 Y HA -0.098 4.453 4.550 0.001 0.000 0.288 222 Y C 3.386 179.307 175.900 0.036 0.000 1.146 222 Y CA 2.378 60.432 58.100 -0.076 0.000 1.164 222 Y CB -0.508 37.973 38.460 0.035 0.000 0.982 222 Y HN 0.657 nan 8.280 nan 0.000 0.515 223 T N 0.227 114.892 114.554 0.184 0.000 2.684 223 T HA -0.191 4.159 4.350 0.000 0.000 0.267 223 T C 1.983 176.754 174.700 0.120 0.000 1.036 223 T CA 1.355 63.567 62.100 0.186 0.000 1.148 223 T CB -0.189 68.694 68.868 0.024 0.000 0.863 223 T HN 0.224 nan 8.240 nan 0.000 0.436 224 R N 0.709 121.228 120.500 0.031 0.000 2.117 224 R HA -0.036 4.304 4.340 0.000 0.000 0.243 224 R C 2.439 178.709 176.300 -0.049 0.000 1.143 224 R CA 1.190 57.288 56.100 -0.003 0.000 0.968 224 R CB -0.773 29.526 30.300 -0.002 0.000 0.863 224 R HN 0.473 nan 8.270 nan 0.000 0.444 225 M N -0.376 119.151 119.600 -0.122 0.000 2.132 225 M HA -0.129 4.351 4.480 0.000 0.000 0.263 225 M C 1.738 177.867 176.300 -0.284 0.000 1.065 225 M CA 1.693 56.844 55.300 -0.248 0.000 1.122 225 M CB -0.135 32.218 32.600 -0.411 0.000 1.365 225 M HN -0.016 nan 8.290 nan 0.000 0.411 226 F N 0.799 120.647 119.950 -0.169 0.000 2.171 226 F HA -0.229 4.299 4.527 0.001 0.000 0.300 226 F C 2.542 178.237 175.800 -0.174 0.000 1.090 226 F CA 1.538 59.410 58.000 -0.212 0.000 1.293 226 F CB -0.332 38.559 39.000 -0.183 0.000 1.013 226 F HN 0.269 nan 8.300 nan 0.000 0.486 227 Q N -0.039 119.799 119.800 0.064 0.000 2.084 227 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 227 Q C 1.878 177.862 176.000 -0.026 0.000 0.978 227 Q CA 1.383 57.195 55.803 0.016 0.000 0.844 227 Q CB -0.256 28.493 28.738 0.020 0.000 0.898 227 Q HN 0.379 nan 8.270 nan 0.000 0.426 228 N N 0.539 119.215 118.700 -0.041 0.000 2.188 228 N HA -0.136 4.604 4.740 0.000 0.000 0.184 228 N C 1.588 177.065 175.510 -0.055 0.000 1.018 228 N CA 1.052 54.102 53.050 -0.001 0.000 0.858 228 N CB -0.209 38.316 38.487 0.063 0.000 0.989 228 N HN 0.241 nan 8.380 nan 0.000 0.426 229 M N 0.200 119.625 119.600 -0.292 0.000 2.213 229 M HA -0.027 4.453 4.480 0.000 0.000 0.263 229 M C 0.784 176.902 176.300 -0.303 0.000 1.062 229 M CA 1.278 56.185 55.300 -0.654 0.000 1.105 229 M CB 0.147 32.265 32.600 -0.803 0.000 1.385 229 M HN 0.016 nan 8.290 nan 0.000 0.417 230 L N -0.372 120.761 121.223 -0.149 0.000 2.791 230 L HA 0.117 4.457 4.340 0.000 0.000 0.239 230 L C 1.873 178.714 176.870 -0.048 0.000 1.203 230 L CA -0.159 54.628 54.840 -0.088 0.000 1.002 230 L CB -0.257 41.765 42.059 -0.061 0.000 1.295 230 L HN 0.343 nan 8.230 nan 0.000 0.504 231 S N -2.158 113.521 115.700 -0.035 0.000 2.458 231 S HA -0.046 4.424 4.470 0.000 0.000 0.223 231 S C 1.215 175.818 174.600 0.005 0.000 1.019 231 S CA 0.077 58.273 58.200 -0.008 0.000 0.937 231 S CB -0.031 63.170 63.200 0.002 0.000 0.788 231 S HN 0.355 nan 8.310 nan 0.000 0.511 232 S N 3.384 119.091 115.700 0.010 0.000 2.631 232 S HA 0.029 4.499 4.470 0.000 0.000 0.311 232 S C -1.481 173.135 174.600 0.028 0.000 1.254 232 S CA -0.488 57.725 58.200 0.023 0.000 1.039 232 S CB 0.324 63.539 63.200 0.025 0.000 0.753 232 S HN 0.235 nan 8.310 nan 0.000 0.494 233 P HA -0.002 nan 4.420 nan 0.000 0.222 233 P C 0.483 177.819 177.300 0.061 0.000 1.147 233 P CA 0.800 63.925 63.100 0.042 0.000 0.790 233 P CB -0.017 31.706 31.700 0.038 0.000 0.780 234 N N -0.618 118.122 118.700 0.066 0.000 2.449 234 N HA 0.085 4.825 4.740 0.000 0.000 0.191 234 N C 0.200 175.774 175.510 0.107 0.000 1.161 234 N CA 0.373 53.480 53.050 0.096 0.000 0.863 234 N CB -0.067 38.477 38.487 0.094 0.000 0.980 234 N HN 0.262 nan 8.380 nan 0.000 0.458 235 I N 1.260 121.871 120.570 0.069 0.000 2.410 235 I HA 0.205 4.376 4.170 0.000 0.000 0.286 235 I C -0.429 175.707 176.117 0.031 0.000 1.009 235 I CA -0.868 60.453 61.300 0.036 0.000 1.111 235 I CB 1.320 39.316 38.000 -0.008 0.000 1.262 235 I HN -0.364 nan 8.210 nan 0.000 0.443 236 K N 6.262 126.674 120.400 0.020 0.000 2.185 236 K HA 0.550 4.871 4.320 0.000 0.000 0.269 236 K C -0.677 175.874 176.600 -0.082 0.000 0.987 236 K CA -0.711 55.576 56.287 0.000 0.000 0.865 236 K CB 2.511 35.050 32.500 0.065 0.000 1.090 236 K HN 0.254 nan 8.250 nan 0.000 0.450 237 V N 4.011 123.888 119.914 -0.061 0.000 2.398 237 V HA 0.408 4.529 4.120 0.000 0.000 0.286 237 V C -0.089 175.956 176.094 -0.081 0.000 1.026 237 V CA -0.763 61.485 62.300 -0.087 0.000 0.868 237 V CB 1.346 33.126 31.823 -0.071 0.000 0.982 237 V HN 0.744 nan 8.190 nan 0.000 0.443 238 M N 6.385 125.921 119.600 -0.107 0.000 2.190 238 M HA 0.634 5.114 4.480 0.000 0.000 0.312 238 M C -1.610 174.630 176.300 -0.101 0.000 0.990 238 M CA -0.266 54.981 55.300 -0.088 0.000 0.927 238 M CB 1.205 33.749 32.600 -0.093 0.000 1.571 238 M HN 0.540 nan 8.290 nan 0.000 0.427 239 L N 3.309 124.481 121.223 -0.086 0.000 2.286 239 L HA 0.536 4.877 4.340 0.000 0.000 0.265 239 L C 0.617 177.435 176.870 -0.086 0.000 1.012 239 L CA -0.913 53.862 54.840 -0.109 0.000 0.818 239 L CB 1.540 43.532 42.059 -0.111 0.000 1.337 239 L HN 0.932 nan 8.230 nan 0.000 0.438 240 N N -0.156 118.482 118.700 -0.104 0.000 2.725 240 N HA -0.163 4.577 4.740 0.000 0.000 0.249 240 N C -0.936 174.541 175.510 -0.055 0.000 1.103 240 N CA 1.048 54.053 53.050 -0.075 0.000 0.707 240 N CB -0.630 37.827 38.487 -0.049 0.000 1.043 240 N HN 0.726 nan 8.380 nan 0.000 0.553 241 T N 0.335 114.850 114.554 -0.065 0.000 2.930 241 T HA 0.109 4.459 4.350 0.000 0.000 0.313 241 T C -1.012 173.665 174.700 -0.038 0.000 1.019 241 T CA -0.711 61.361 62.100 -0.047 0.000 1.004 241 T CB 1.331 70.170 68.868 -0.050 0.000 0.987 241 T HN 0.095 nan 8.240 nan 0.000 0.456 242 D N 2.161 122.542 120.400 -0.031 0.000 2.417 242 D HA 0.001 4.642 4.640 0.000 0.000 0.250 242 D C 1.306 177.580 176.300 -0.043 0.000 1.166 242 D CA -0.222 53.769 54.000 -0.015 0.000 0.881 242 D CB 0.697 41.462 40.800 -0.059 0.000 1.164 242 D HN 0.723 nan 8.370 nan 0.000 0.467 243 Y N 3.813 124.065 120.300 -0.080 0.000 2.298 243 Y HA -0.194 4.357 4.550 0.001 0.000 0.287 243 Y C 1.952 177.788 175.900 -0.106 0.000 1.164 243 Y CA 0.980 59.015 58.100 -0.108 0.000 1.229 243 Y CB -0.237 38.169 38.460 -0.090 0.000 0.977 243 Y HN 0.303 nan 8.280 nan 0.000 0.538 244 R N 0.801 120.768 120.500 -0.887 0.000 2.148 244 R HA -0.104 4.237 4.340 0.000 0.000 0.227 244 R C 1.749 177.859 176.300 -0.317 0.000 1.103 244 R CA 1.500 57.166 56.100 -0.723 0.000 0.983 244 R CB -0.265 29.610 30.300 -0.708 0.000 0.874 244 R HN 0.596 nan 8.270 nan 0.000 0.451 245 E N -0.283 119.789 120.200 -0.212 0.000 2.478 245 E HA -0.111 4.239 4.350 0.000 0.000 0.198 245 E C 0.840 177.387 176.600 -0.088 0.000 1.046 245 E CA 0.598 56.950 56.400 -0.080 0.000 0.870 245 E CB 0.273 29.955 29.700 -0.029 0.000 0.818 245 E HN 0.195 nan 8.360 nan 0.000 0.527 246 I N -1.250 119.163 120.570 -0.261 0.000 4.770 246 I HA 0.110 4.280 4.170 0.000 0.000 0.327 246 I C 1.634 177.402 176.117 -0.583 0.000 1.271 246 I CA 0.191 61.155 61.300 -0.560 0.000 1.320 246 I CB 0.513 38.332 38.000 -0.303 0.000 1.319 246 I HN -0.075 nan 8.210 nan 0.000 0.462 247 A N -0.121 122.550 122.820 -0.248 0.000 2.119 247 A HA -0.122 4.198 4.320 0.000 0.000 0.217 247 A C 1.690 179.286 177.584 0.020 0.000 1.153 247 A CA 1.700 53.743 52.037 0.009 0.000 0.692 247 A CB -0.496 18.576 19.000 0.119 0.000 0.799 247 A HN 0.342 nan 8.150 nan 0.000 0.458 248 D N -0.674 119.663 120.400 -0.106 0.000 2.149 248 D HA -0.060 4.581 4.640 0.000 0.000 0.201 248 D C 1.297 177.638 176.300 0.070 0.000 0.972 248 D CA 1.683 55.689 54.000 0.009 0.000 0.835 248 D CB -0.162 40.692 40.800 0.091 0.000 0.966 248 D HN 0.726 nan 8.370 nan 0.000 0.476 249 F N -1.567 118.422 119.950 0.065 0.000 2.767 249 F HA 0.405 4.933 4.527 0.000 0.000 0.323 249 F C 0.280 176.132 175.800 0.088 0.000 1.091 249 F CA -0.594 57.438 58.000 0.054 0.000 1.192 249 F CB 0.018 39.039 39.000 0.035 0.000 1.056 249 F HN -0.297 nan 8.300 nan 0.000 0.571 250 I N 3.952 124.450 120.570 -0.119 0.000 2.315 250 I HA 0.340 4.511 4.170 0.000 0.000 0.291 250 I C -2.419 173.829 176.117 0.219 0.000 1.006 250 I CA -1.959 59.409 61.300 0.114 0.000 1.265 250 I CB 0.955 39.000 38.000 0.075 0.000 1.387 250 I HN -0.193 nan 8.210 nan 0.000 0.475 251 P HA 0.265 nan 4.420 nan 0.000 0.281 251 P C -1.067 176.362 177.300 0.216 0.000 1.252 251 P CA 0.024 63.162 63.100 0.064 0.000 0.778 251 P CB 0.325 32.031 31.700 0.010 0.000 0.895 252 F N -0.094 119.880 119.950 0.040 0.000 2.631 252 F HA 0.505 5.032 4.527 0.000 0.000 0.308 252 F C 0.684 176.421 175.800 -0.106 0.000 1.097 252 F CA -0.903 57.113 58.000 0.027 0.000 0.952 252 F CB 1.111 40.145 39.000 0.058 0.000 1.307 252 F HN -0.003 nan 8.300 nan 0.000 0.450 253 Q N 0.499 120.234 119.800 -0.109 0.000 2.376 253 Q HA 0.183 4.523 4.340 0.000 0.000 0.206 253 Q C -0.629 174.947 176.000 -0.706 0.000 0.921 253 Q CA 0.859 56.363 55.803 -0.498 0.000 0.911 253 Q CB 0.139 28.481 28.738 -0.659 0.000 1.032 253 Q HN 0.906 nan 8.270 nan 0.000 0.510 254 H N -1.422 117.692 119.070 0.074 0.000 2.974 254 H HA 0.454 5.010 4.556 0.000 0.000 0.366 254 H C -1.134 174.331 175.328 0.229 0.000 1.155 254 H CA -0.450 55.645 56.048 0.077 0.000 1.186 254 H CB 1.980 31.608 29.762 -0.225 0.000 1.799 254 H HN -0.065 nan 8.280 nan 0.000 0.541 255 M N 3.377 123.166 119.600 0.316 0.000 2.364 255 M HA 0.532 5.012 4.480 0.000 0.000 0.334 255 M C -1.519 174.799 176.300 0.030 0.000 1.107 255 M CA -0.730 54.608 55.300 0.064 0.000 0.988 255 M CB 1.023 33.600 32.600 -0.039 0.000 1.673 255 M HN 0.584 nan 8.290 nan 0.000 0.441 256 I N 4.842 125.388 120.570 -0.040 0.000 2.355 256 I HA 0.259 4.429 4.170 0.000 0.000 0.288 256 I C -1.579 174.399 176.117 -0.233 0.000 0.999 256 I CA -0.629 60.603 61.300 -0.113 0.000 1.163 256 I CB 1.310 39.267 38.000 -0.071 0.000 1.316 256 I HN 0.608 nan 8.210 nan 0.000 0.454 257 Y N 5.654 125.634 120.300 -0.532 0.000 2.335 257 Y HA 0.328 4.878 4.550 0.000 0.000 0.338 257 Y C 0.918 176.580 175.900 -0.397 0.000 0.977 257 Y CA -0.550 57.173 58.100 -0.627 0.000 1.114 257 Y CB 1.607 39.402 38.460 -1.108 0.000 1.182 257 Y HN 0.615 nan 8.280 nan 0.000 0.463 258 T N 1.164 115.217 114.554 -0.836 0.000 3.145 258 T HA 0.406 4.756 4.350 0.000 0.000 0.281 258 T C 0.669 174.968 174.700 -0.668 0.000 1.003 258 T CA 0.128 61.904 62.100 -0.540 0.000 0.901 258 T CB -0.353 68.334 68.868 -0.302 0.000 1.112 258 T HN 0.735 nan 8.240 nan 0.000 0.535 259 G N 2.155 110.137 108.800 -1.364 0.000 2.563 259 G HA2 0.582 4.542 3.960 0.000 0.000 0.283 259 G HA3 0.582 4.542 3.960 0.000 0.000 0.283 259 G C -2.868 171.906 174.900 -0.209 0.000 1.309 259 G CA -1.812 42.825 45.100 -0.771 0.000 1.022 259 G HN 0.166 nan 8.290 nan 0.000 0.501 260 P HA 0.115 nan 4.420 nan 0.000 0.267 260 P C 1.229 178.760 177.300 0.385 0.000 1.209 260 P CA -0.363 62.833 63.100 0.161 0.000 0.763 260 P CB 1.043 32.752 31.700 0.016 0.000 0.816 261 V N 2.334 122.496 119.914 0.413 0.000 2.343 261 V HA -0.268 3.853 4.120 0.000 0.000 0.247 261 V C 1.903 177.976 176.094 -0.034 0.000 1.051 261 V CA 2.288 64.778 62.300 0.317 0.000 1.036 261 V CB -1.488 30.521 31.823 0.310 0.000 0.654 261 V HN 0.474 nan 8.190 nan 0.000 0.451 262 D N 2.555 122.779 120.400 -0.293 0.000 2.104 262 D HA -0.196 4.444 4.640 0.000 0.000 0.194 262 D C 2.077 177.951 176.300 -0.709 0.000 0.994 262 D CA 1.981 55.505 54.000 -0.793 0.000 0.830 262 D CB -0.763 39.837 40.800 -0.332 0.000 0.959 262 D HN 0.486 nan 8.370 nan 0.000 0.452 263 A N -0.036 122.357 122.820 -0.711 0.000 1.978 263 A HA -0.108 4.212 4.320 0.000 0.000 0.220 263 A C 2.127 179.446 177.584 -0.441 0.000 1.170 263 A CA 1.258 52.722 52.037 -0.954 0.000 0.636 263 A CB -1.294 17.534 19.000 -0.287 0.000 0.810 263 A HN 0.270 nan 8.150 nan 0.000 0.448 264 F N -0.691 119.014 119.950 -0.408 0.000 2.161 264 F HA -0.106 4.421 4.527 0.001 0.000 0.300 264 F C 1.144 176.588 175.800 -0.593 0.000 1.089 264 F CA 1.421 59.064 58.000 -0.594 0.000 1.282 264 F CB -0.123 38.306 39.000 -0.951 0.000 1.010 264 F HN 0.202 nan 8.300 nan 0.000 0.485 265 F N 0.766 120.668 119.950 -0.079 0.000 2.668 265 F HA 0.174 4.702 4.527 0.000 0.000 0.297 265 F C 0.320 176.042 175.800 -0.130 0.000 1.124 265 F CA -0.330 57.635 58.000 -0.058 0.000 1.353 265 F CB -0.463 38.609 39.000 0.119 0.000 0.992 265 F HN -0.109 nan 8.300 nan 0.000 0.524 266 D N 0.035 120.337 120.400 -0.163 0.000 2.751 266 D HA -0.284 4.356 4.640 0.000 0.000 0.233 266 D C 0.085 176.454 176.300 0.114 0.000 1.149 266 D CA 0.787 54.731 54.000 -0.093 0.000 0.682 266 D CB -1.714 39.094 40.800 0.013 0.000 1.068 266 D HN 0.406 nan 8.370 nan 0.000 0.429 267 F N -2.922 117.130 119.950 0.169 0.000 3.100 267 F HA -0.370 4.157 4.527 0.000 0.000 0.283 267 F C 2.332 178.271 175.800 0.233 0.000 0.900 267 F CA 0.670 58.807 58.000 0.228 0.000 1.010 267 F CB -2.696 36.395 39.000 0.153 0.000 1.029 267 F HN 0.485 nan 8.300 nan 0.000 0.637 268 C N -2.694 116.769 119.300 0.272 0.000 2.472 268 C HA -0.039 4.421 4.460 0.000 0.000 0.278 268 C C 1.933 176.879 174.990 -0.074 0.000 1.447 268 C CA 0.626 59.657 59.018 0.022 0.000 1.773 268 C CB -1.159 26.479 27.740 -0.170 0.000 1.793 268 C HN 0.515 nan 8.230 nan 0.000 0.544 269 Y N 2.007 122.386 120.300 0.132 0.000 2.481 269 Y HA 0.489 5.040 4.550 0.000 0.000 0.247 269 Y C 1.452 177.403 175.900 0.085 0.000 1.151 269 Y CA 0.044 58.099 58.100 -0.074 0.000 1.238 269 Y CB -0.319 37.823 38.460 -0.529 0.000 1.179 269 Y HN 0.653 nan 8.280 nan 0.000 0.524 270 G N 0.703 109.736 108.800 0.388 0.000 2.555 270 G HA2 -0.130 3.830 3.960 0.000 0.000 0.686 270 G HA3 -0.130 3.830 3.960 0.000 0.000 0.686 270 G C -1.149 174.029 174.900 0.463 0.000 1.275 270 G CA -1.183 44.118 45.100 0.334 0.000 0.871 270 G HN 0.128 nan 8.290 nan 0.000 0.603 271 K N 0.324 120.919 120.400 0.326 0.000 2.349 271 K HA 0.558 4.878 4.320 0.000 0.000 0.288 271 K C 0.638 177.422 176.600 0.307 0.000 1.058 271 K CA -0.559 55.936 56.287 0.346 0.000 0.953 271 K CB 0.575 33.151 32.500 0.128 0.000 0.997 271 K HN 0.568 nan 8.250 nan 0.000 0.477 272 L N 7.474 128.901 121.223 0.340 0.000 2.410 272 L HA 0.243 4.584 4.340 0.000 0.000 0.273 272 L C -1.993 174.960 176.870 0.138 0.000 1.144 272 L CA -2.025 52.911 54.840 0.159 0.000 0.863 272 L CB 0.878 42.944 42.059 0.012 0.000 1.140 272 L HN 0.653 nan 8.230 nan 0.000 0.463 273 P HA 0.107 nan 4.420 nan 0.000 0.271 273 P C -1.566 175.797 177.300 0.106 0.000 1.226 273 P CA 0.429 63.623 63.100 0.157 0.000 0.765 273 P CB 0.234 32.031 31.700 0.163 0.000 0.835 274 Y N 1.737 122.196 120.300 0.264 0.000 2.446 274 Y HA 0.571 5.121 4.550 0.000 0.000 0.345 274 Y C 0.831 176.838 175.900 0.178 0.000 0.984 274 Y CA -1.024 57.213 58.100 0.227 0.000 1.058 274 Y CB 1.901 40.468 38.460 0.178 0.000 1.220 274 Y HN 0.156 nan 8.280 nan 0.000 0.455 275 R N 0.927 121.638 120.500 0.353 0.000 2.500 275 R HA 0.665 5.006 4.340 0.000 0.000 0.277 275 R C -0.518 175.926 176.300 0.241 0.000 1.026 275 R CA -0.186 56.045 56.100 0.218 0.000 1.058 275 R CB 1.478 31.813 30.300 0.058 0.000 1.078 275 R HN 0.701 nan 8.270 nan 0.000 0.509 276 S N 1.829 117.622 115.700 0.155 0.000 2.810 276 S HA 0.789 5.259 4.470 0.000 0.000 0.315 276 S C -1.495 173.237 174.600 0.220 0.000 1.138 276 S CA -0.722 57.593 58.200 0.192 0.000 0.889 276 S CB 0.689 63.915 63.200 0.042 0.000 1.236 276 S HN 0.398 nan 8.310 nan 0.000 0.548 277 L N 1.283 122.668 121.223 0.269 0.000 2.472 277 L HA 0.543 4.884 4.340 0.000 0.000 0.260 277 L C -0.846 175.889 176.870 -0.224 0.000 0.963 277 L CA -0.509 54.310 54.840 -0.036 0.000 0.829 277 L CB 2.191 44.121 42.059 -0.216 0.000 1.348 277 L HN 0.640 nan 8.230 nan 0.000 0.408 278 E N 1.768 121.821 120.200 -0.246 0.000 2.179 278 E HA 0.545 4.895 4.350 0.000 0.000 0.275 278 E C -1.779 174.676 176.600 -0.240 0.000 0.945 278 E CA -0.598 55.694 56.400 -0.181 0.000 0.792 278 E CB 1.409 31.092 29.700 -0.027 0.000 1.125 278 E HN 0.336 nan 8.360 nan 0.000 0.397 279 F N 2.864 122.919 119.950 0.175 0.000 2.458 279 F HA 0.409 4.936 4.527 0.000 0.000 0.336 279 F C 0.505 176.323 175.800 0.030 0.000 1.114 279 F CA -0.953 57.091 58.000 0.074 0.000 0.987 279 F CB 1.432 40.410 39.000 -0.038 0.000 1.130 279 F HN 0.261 nan 8.300 nan 0.000 0.458 280 R N 3.796 124.432 120.500 0.226 0.000 2.275 280 R HA 0.299 4.639 4.340 0.000 0.000 0.326 280 R C -1.054 175.307 176.300 0.101 0.000 0.973 280 R CA -0.523 55.679 56.100 0.170 0.000 0.854 280 R CB 0.285 30.718 30.300 0.222 0.000 1.156 280 R HN 0.699 nan 8.270 nan 0.000 0.487 281 H N 2.922 122.120 119.070 0.212 0.000 2.502 281 H HA 0.275 4.831 4.556 0.000 0.000 0.327 281 H C -0.502 174.909 175.328 0.138 0.000 1.099 281 H CA -0.116 56.039 56.048 0.178 0.000 1.323 281 H CB 1.702 31.536 29.762 0.121 0.000 1.450 281 H HN 0.591 nan 8.280 nan 0.000 0.502 282 E N 0.903 121.262 120.200 0.264 0.000 2.340 282 E HA 0.321 4.671 4.350 0.000 0.000 0.273 282 E C -0.925 175.747 176.600 0.121 0.000 0.891 282 E CA -0.794 55.697 56.400 0.151 0.000 0.757 282 E CB 2.361 32.181 29.700 0.199 0.000 1.231 282 E HN 0.415 nan 8.360 nan 0.000 0.439 283 T N 1.629 116.166 114.554 -0.029 0.000 2.807 283 T HA 0.435 4.786 4.350 0.000 0.000 0.279 283 T C -1.188 173.416 174.700 -0.158 0.000 0.993 283 T CA -0.683 61.406 62.100 -0.019 0.000 0.970 283 T CB 0.566 69.413 68.868 -0.034 0.000 0.950 283 T HN 0.319 nan 8.240 nan 0.000 0.441 284 H N 0.701 119.773 119.070 0.003 0.000 2.569 284 H HA 0.370 4.926 4.556 0.000 0.000 0.357 284 H C -0.174 175.154 175.328 0.000 0.000 1.153 284 H CA -0.823 55.231 56.048 0.010 0.000 1.193 284 H CB 1.163 30.936 29.762 0.017 0.000 1.602 284 H HN 0.411 nan 8.280 nan 0.000 0.523 285 D N 1.694 122.165 120.400 0.117 0.000 3.085 285 D HA 0.098 4.738 4.640 0.000 0.000 0.243 285 D C -0.561 175.791 176.300 0.087 0.000 1.232 285 D CA 0.030 54.077 54.000 0.078 0.000 0.913 285 D CB -0.487 40.353 40.800 0.066 0.000 1.108 285 D HN 0.587 nan 8.370 nan 0.000 0.468 286 T N -2.386 112.221 114.554 0.089 0.000 2.865 286 T HA 0.296 4.646 4.350 0.000 0.000 0.294 286 T C 1.056 175.789 174.700 0.055 0.000 1.119 286 T CA -0.773 61.367 62.100 0.067 0.000 1.007 286 T CB 1.707 70.606 68.868 0.052 0.000 1.225 286 T HN -0.087 nan 8.240 nan 0.000 0.515 287 E N -0.048 120.180 120.200 0.047 0.000 2.216 287 E HA -0.005 4.345 4.350 0.000 0.000 0.192 287 E C 0.521 177.121 176.600 -0.000 0.000 0.988 287 E CA 0.644 57.066 56.400 0.036 0.000 0.834 287 E CB 0.390 30.113 29.700 0.037 0.000 0.772 287 E HN 0.480 nan 8.360 nan 0.000 0.479 288 Q N 0.313 120.111 119.800 -0.002 0.000 2.281 288 Q HA 0.162 4.502 4.340 0.000 0.000 0.263 288 Q C -0.641 175.355 176.000 -0.005 0.000 0.989 288 Q CA -0.224 55.569 55.803 -0.018 0.000 0.852 288 Q CB 1.680 30.400 28.738 -0.029 0.000 1.337 288 Q HN 0.083 nan 8.270 nan 0.000 0.418 289 L N 4.071 125.283 121.223 -0.018 0.000 2.362 289 L HA 0.435 4.775 4.340 0.000 0.000 0.204 289 L C -0.614 176.235 176.870 -0.036 0.000 1.060 289 L CA 0.962 55.759 54.840 -0.071 0.000 0.827 289 L CB 0.671 42.615 42.059 -0.191 0.000 1.027 289 L HN 0.612 nan 8.230 nan 0.000 0.474 290 L N 0.685 121.920 121.223 0.019 0.000 2.330 290 L HA 0.410 4.750 4.340 0.000 0.000 0.271 290 L C -1.526 175.375 176.870 0.052 0.000 1.013 290 L CA -1.639 53.194 54.840 -0.011 0.000 0.816 290 L CB 1.232 43.230 42.059 -0.101 0.000 1.287 290 L HN -0.144 nan 8.230 nan 0.000 0.435 291 P HA -0.001 nan 4.420 nan 0.000 0.231 291 P C 0.171 177.376 177.300 -0.159 0.000 1.168 291 P CA 0.727 63.806 63.100 -0.035 0.000 0.779 291 P CB 0.350 32.017 31.700 -0.054 0.000 0.844 292 T N -6.021 108.281 114.554 -0.421 0.000 2.681 292 T HA 0.528 4.879 4.350 0.000 0.000 0.296 292 T C 1.398 175.554 174.700 -0.906 0.000 1.157 292 T CA -0.093 61.615 62.100 -0.652 0.000 1.025 292 T CB 0.804 69.452 68.868 -0.366 0.000 1.441 292 T HN -0.116 nan 8.240 nan 0.000 0.504 293 G N 0.270 108.727 108.800 -0.572 0.000 2.440 293 G HA2 0.232 4.192 3.960 0.000 0.000 0.218 293 G HA3 0.232 4.192 3.960 0.000 0.000 0.218 293 G C 0.333 175.145 174.900 -0.146 0.000 1.154 293 G CA 1.027 46.019 45.100 -0.179 0.000 0.767 293 G HN 0.929 nan 8.290 nan 0.000 0.552 294 T N -0.656 113.753 114.554 -0.242 0.000 2.971 294 T HA 0.496 4.846 4.350 0.000 0.000 0.304 294 T C -1.137 173.409 174.700 -0.255 0.000 1.038 294 T CA -0.488 61.488 62.100 -0.206 0.000 1.007 294 T CB 2.816 71.615 68.868 -0.114 0.000 1.055 294 T HN -0.058 nan 8.240 nan 0.000 0.451 295 V N 3.948 123.736 119.914 -0.211 0.000 2.384 295 V HA 0.454 4.575 4.120 0.000 0.000 0.287 295 V C -0.215 175.735 176.094 -0.240 0.000 1.020 295 V CA -0.967 61.182 62.300 -0.252 0.000 0.850 295 V CB 1.551 33.229 31.823 -0.243 0.000 0.987 295 V HN 0.736 nan 8.190 nan 0.000 0.436 296 N N 2.876 121.408 118.700 -0.279 0.000 2.509 296 N HA 0.454 5.194 4.740 0.000 0.000 0.287 296 N C -1.069 174.261 175.510 -0.300 0.000 1.121 296 N CA -0.199 52.776 53.050 -0.125 0.000 0.977 296 N CB 0.929 39.353 38.487 -0.105 0.000 1.167 296 N HN 0.581 nan 8.380 nan 0.000 0.476 297 Y N 1.465 121.881 120.300 0.193 0.000 2.748 297 Y HA 0.282 4.833 4.550 0.000 0.000 0.359 297 Y C -1.411 174.559 175.900 0.116 0.000 1.030 297 Y CA -1.476 56.701 58.100 0.129 0.000 1.169 297 Y CB 1.500 40.045 38.460 0.142 0.000 1.127 297 Y HN 0.542 nan 8.280 nan 0.000 0.644 298 P HA -0.093 nan 4.420 nan 0.000 0.221 298 P C 0.277 177.603 177.300 0.043 0.000 1.150 298 P CA 1.509 64.708 63.100 0.166 0.000 0.800 298 P CB 0.653 32.355 31.700 0.004 0.000 0.787 299 N N -1.042 117.664 118.700 0.009 0.000 2.166 299 N HA 0.097 4.837 4.740 0.000 0.000 0.213 299 N C -0.073 175.387 175.510 -0.083 0.000 1.222 299 N CA 0.210 53.232 53.050 -0.047 0.000 0.900 299 N CB 1.102 39.539 38.487 -0.084 0.000 1.055 299 N HN 0.212 nan 8.380 nan 0.000 0.515 300 D N 0.019 120.377 120.400 -0.069 0.000 2.547 300 D HA 0.350 4.990 4.640 0.000 0.000 0.231 300 D C -0.516 175.588 176.300 -0.327 0.000 1.099 300 D CA -0.222 53.603 54.000 -0.292 0.000 0.901 300 D CB 2.094 42.636 40.800 -0.430 0.000 1.478 300 D HN -0.180 nan 8.370 nan 0.000 0.471 301 Y N -0.653 119.447 120.300 -0.333 0.000 2.503 301 Y HA -0.252 4.299 4.550 0.000 0.000 0.022 301 Y C 0.932 176.548 175.900 -0.474 0.000 1.698 301 Y CA 0.062 57.823 58.100 -0.565 0.000 1.422 301 Y CB -1.061 36.643 38.460 -1.260 0.000 2.067 301 Y HN 0.519 nan 8.280 nan 0.000 0.253 302 A N 0.093 122.767 122.820 -0.245 0.000 2.081 302 A HA 0.202 4.522 4.320 0.000 0.000 0.214 302 A C 0.121 177.603 177.584 -0.171 0.000 1.158 302 A CA 0.897 52.883 52.037 -0.085 0.000 0.724 302 A CB -0.504 18.586 19.000 0.151 0.000 0.826 302 A HN 0.631 nan 8.150 nan 0.000 0.463 303 Y N -1.433 118.692 120.300 -0.292 0.000 2.301 303 Y HA 0.483 5.033 4.550 0.000 0.000 0.325 303 Y C 1.427 177.191 175.900 -0.227 0.000 1.203 303 Y CA -0.347 57.422 58.100 -0.551 0.000 1.255 303 Y CB -0.003 37.965 38.460 -0.820 0.000 1.232 303 Y HN 0.047 nan 8.280 nan 0.000 0.501 304 T N -0.705 113.811 114.554 -0.063 0.000 2.942 304 T HA 0.134 4.485 4.350 0.000 0.000 0.265 304 T C 0.285 175.128 174.700 0.239 0.000 1.062 304 T CA 0.697 62.743 62.100 -0.090 0.000 1.139 304 T CB -0.240 68.407 68.868 -0.368 0.000 0.883 304 T HN 0.868 nan 8.240 nan 0.000 0.468 305 R N -0.574 120.085 120.500 0.265 0.000 2.728 305 R HA 0.608 4.948 4.340 0.000 0.000 0.274 305 R C -2.350 173.970 176.300 0.034 0.000 1.032 305 R CA -1.095 55.166 56.100 0.269 0.000 0.866 305 R CB 1.231 31.635 30.300 0.174 0.000 1.263 305 R HN 0.025 nan 8.270 nan 0.000 0.475 306 V N 0.466 120.329 119.914 -0.085 0.000 2.604 306 V HA 0.666 4.786 4.120 0.000 0.000 0.305 306 V C -0.372 175.518 176.094 -0.339 0.000 1.043 306 V CA -0.831 61.194 62.300 -0.458 0.000 0.888 306 V CB 1.835 33.265 31.823 -0.654 0.000 0.995 306 V HN 0.818 nan 8.190 nan 0.000 0.429 307 S N 2.249 117.697 115.700 -0.420 0.000 2.526 307 S HA 0.579 5.049 4.470 0.000 0.000 0.293 307 S C -0.757 173.508 174.600 -0.557 0.000 1.092 307 S CA -0.656 57.293 58.200 -0.418 0.000 0.980 307 S CB 1.976 64.921 63.200 -0.425 0.000 1.048 307 S HN 0.887 nan 8.310 nan 0.000 0.483 308 E N 1.835 121.792 120.200 -0.405 0.000 2.182 308 E HA 0.334 4.684 4.350 0.000 0.000 0.258 308 E C -0.416 176.051 176.600 -0.221 0.000 0.879 308 E CA -0.433 55.800 56.400 -0.278 0.000 0.754 308 E CB 0.459 30.160 29.700 0.002 0.000 1.162 308 E HN 0.605 nan 8.360 nan 0.000 0.419 309 F N 3.200 123.106 119.950 -0.072 0.000 2.216 309 F HA -0.104 4.423 4.527 0.000 0.000 0.300 309 F C 1.989 177.711 175.800 -0.131 0.000 1.085 309 F CA 0.820 58.728 58.000 -0.154 0.000 1.326 309 F CB 0.062 38.919 39.000 -0.238 0.000 1.027 309 F HN 0.418 nan 8.300 nan 0.000 0.497 310 K N -0.652 119.772 120.400 0.039 0.000 2.148 310 K HA -0.156 4.164 4.320 0.000 0.000 0.204 310 K C 1.815 178.363 176.600 -0.087 0.000 1.050 310 K CA 0.982 57.244 56.287 -0.041 0.000 0.942 310 K CB -0.332 32.125 32.500 -0.072 0.000 0.724 310 K HN 0.346 nan 8.250 nan 0.000 0.446 311 H N 0.490 119.535 119.070 -0.042 0.000 2.352 311 H HA -0.115 4.442 4.556 0.000 0.000 0.299 311 H C 2.085 177.287 175.328 -0.210 0.000 1.097 311 H CA 1.540 57.573 56.048 -0.024 0.000 1.311 311 H CB 0.010 29.800 29.762 0.047 0.000 1.377 311 H HN 0.195 nan 8.280 nan 0.000 0.504 312 I N 0.234 120.710 120.570 -0.156 0.000 2.400 312 I HA -0.146 4.024 4.170 0.000 0.000 0.248 312 I C 2.600 178.466 176.117 -0.418 0.000 1.109 312 I CA 1.385 62.368 61.300 -0.527 0.000 1.425 312 I CB -0.119 37.808 38.000 -0.121 0.000 1.094 312 I HN 0.252 nan 8.210 nan 0.000 0.425 313 T N -2.125 112.333 114.554 -0.161 0.000 3.035 313 T HA 0.171 4.521 4.350 0.000 0.000 0.259 313 T C 1.713 176.362 174.700 -0.083 0.000 1.078 313 T CA 0.679 62.723 62.100 -0.093 0.000 1.132 313 T CB 0.202 69.036 68.868 -0.057 0.000 0.900 313 T HN 0.489 nan 8.240 nan 0.000 0.480 314 G N 1.181 109.930 108.800 -0.086 0.000 2.159 314 G HA2 -0.298 3.662 3.960 0.000 0.000 0.256 314 G HA3 -0.298 3.662 3.960 0.000 0.000 0.256 314 G C -0.116 174.780 174.900 -0.007 0.000 0.977 314 G CA 0.293 45.371 45.100 -0.036 0.000 0.652 314 G HN 0.931 nan 8.290 nan 0.000 0.531 315 Q N 0.104 119.902 119.800 -0.003 0.000 2.364 315 Q HA 0.350 4.690 4.340 0.000 0.000 0.267 315 Q C 0.685 176.721 176.000 0.060 0.000 0.999 315 Q CA -0.316 55.512 55.803 0.042 0.000 0.886 315 Q CB 0.379 29.148 28.738 0.051 0.000 1.243 315 Q HN 0.526 nan 8.270 nan 0.000 0.415 316 R N 3.253 123.806 120.500 0.088 0.000 2.297 316 R HA 0.258 4.599 4.340 0.000 0.000 0.308 316 R C -1.284 175.121 176.300 0.175 0.000 1.029 316 R CA -0.271 55.886 56.100 0.096 0.000 0.929 316 R CB 0.741 31.080 30.300 0.065 0.000 1.046 316 R HN 0.726 nan 8.270 nan 0.000 0.461 317 H N 2.829 121.931 119.070 0.053 0.000 3.094 317 H HA 0.053 4.609 4.556 0.000 0.000 0.346 317 H C 0.046 175.426 175.328 0.086 0.000 1.238 317 H CA -0.492 55.605 56.048 0.083 0.000 1.209 317 H CB 1.180 30.960 29.762 0.030 0.000 1.911 317 H HN 0.938 nan 8.280 nan 0.000 0.540 318 H N 1.470 120.499 119.070 -0.068 0.000 2.529 318 H HA 0.156 4.712 4.556 0.000 0.000 0.277 318 H C -0.262 175.171 175.328 0.175 0.000 0.999 318 H CA 0.206 56.273 56.048 0.031 0.000 1.256 318 H CB 0.906 30.637 29.762 -0.051 0.000 1.402 318 H HN 0.429 nan 8.280 nan 0.000 0.566 319 Q N 0.071 119.915 119.800 0.072 0.000 2.712 319 Q HA 0.507 4.848 4.340 0.000 0.000 0.267 319 Q C -0.756 175.255 176.000 0.018 0.000 1.062 319 Q CA -0.925 54.886 55.803 0.014 0.000 0.888 319 Q CB 2.451 31.116 28.738 -0.123 0.000 1.374 319 Q HN 0.144 nan 8.270 nan 0.000 0.498 320 T N -0.267 114.275 114.554 -0.020 0.000 2.933 320 T HA 0.462 4.812 4.350 0.000 0.000 0.305 320 T C -1.469 173.242 174.700 0.019 0.000 1.092 320 T CA -0.387 61.697 62.100 -0.026 0.000 1.008 320 T CB 1.531 70.400 68.868 0.001 0.000 1.102 320 T HN 0.418 nan 8.240 nan 0.000 0.469 321 S N 2.116 117.830 115.700 0.024 0.000 2.473 321 S HA 0.774 5.244 4.470 0.000 0.000 0.307 321 S C -0.162 174.532 174.600 0.157 0.000 1.094 321 S CA -0.654 57.616 58.200 0.115 0.000 1.070 321 S CB 1.315 64.573 63.200 0.096 0.000 1.019 321 S HN 0.854 nan 8.310 nan 0.000 0.480 322 V N 0.953 120.949 119.914 0.136 0.000 3.158 322 V HA 0.972 5.092 4.120 0.000 0.000 0.315 322 V C -0.686 175.414 176.094 0.010 0.000 1.148 322 V CA -0.776 61.484 62.300 -0.066 0.000 1.042 322 V CB 1.789 33.510 31.823 -0.170 0.000 1.101 322 V HN 0.597 nan 8.190 nan 0.000 0.448 323 V N 1.619 121.396 119.914 -0.230 0.000 2.733 323 V HA 0.640 4.760 4.120 0.000 0.000 0.306 323 V C -1.720 174.203 176.094 -0.286 0.000 1.084 323 V CA -0.416 61.794 62.300 -0.150 0.000 0.905 323 V CB 1.963 33.734 31.823 -0.086 0.000 1.010 323 V HN 0.890 nan 8.190 nan 0.000 0.424 324 Y N 3.869 124.073 120.300 -0.160 0.000 2.330 324 Y HA 0.565 5.115 4.550 0.000 0.000 0.336 324 Y C 0.574 176.402 175.900 -0.121 0.000 1.036 324 Y CA -0.324 57.608 58.100 -0.280 0.000 1.125 324 Y CB 1.590 39.745 38.460 -0.509 0.000 1.194 324 Y HN 0.577 nan 8.280 nan 0.000 0.469 325 E N 2.961 123.142 120.200 -0.033 0.000 2.156 325 E HA 0.276 4.626 4.350 0.000 0.000 0.279 325 E C -1.664 174.831 176.600 -0.176 0.000 0.965 325 E CA -0.731 55.666 56.400 -0.004 0.000 0.789 325 E CB 1.080 30.817 29.700 0.062 0.000 1.098 325 E HN 0.493 nan 8.360 nan 0.000 0.397 326 Y N 3.513 123.794 120.300 -0.032 0.000 2.334 326 Y HA 0.253 4.803 4.550 0.001 0.000 0.336 326 Y C -2.079 173.757 175.900 -0.107 0.000 0.960 326 Y CA -2.962 55.119 58.100 -0.032 0.000 1.164 326 Y CB 1.034 39.488 38.460 -0.009 0.000 1.155 326 Y HN 0.379 nan 8.280 nan 0.000 0.478 327 P HA 0.173 nan 4.420 nan 0.000 0.271 327 P C -0.452 176.838 177.300 -0.016 0.000 1.216 327 P CA -0.120 62.932 63.100 -0.080 0.000 0.771 327 P CB 1.030 32.625 31.700 -0.175 0.000 0.864 328 R N 1.686 122.181 120.500 -0.009 0.000 2.725 328 R HA 0.515 4.856 4.340 0.000 0.000 0.277 328 R C 0.879 177.197 176.300 0.030 0.000 0.987 328 R CA -0.915 55.196 56.100 0.018 0.000 0.901 328 R CB 1.843 32.160 30.300 0.027 0.000 1.207 328 R HN 0.420 nan 8.270 nan 0.000 0.463 329 A N 1.242 124.085 122.820 0.039 0.000 1.970 329 A HA -0.024 4.296 4.320 0.000 0.000 0.216 329 A C 0.411 178.033 177.584 0.062 0.000 1.170 329 A CA 1.148 53.220 52.037 0.059 0.000 0.645 329 A CB 0.089 19.123 19.000 0.058 0.000 0.816 329 A HN 0.553 nan 8.150 nan 0.000 0.447 330 E N -1.570 118.657 120.200 0.045 0.000 2.179 330 E HA 0.554 4.905 4.350 0.000 0.000 0.275 330 E C 0.110 176.726 176.600 0.028 0.000 0.945 330 E CA 0.725 57.148 56.400 0.037 0.000 0.792 330 E CB 1.547 31.264 29.700 0.028 0.000 1.125 330 E HN 0.630 nan 8.360 nan 0.000 0.397 331 G N 2.722 111.529 108.800 0.012 0.000 2.340 331 G HA2 -0.030 3.931 3.960 0.000 0.000 0.282 331 G HA3 -0.030 3.931 3.960 0.000 0.000 0.282 331 G C -1.364 173.481 174.900 -0.091 0.000 1.312 331 G CA -1.026 44.067 45.100 -0.013 0.000 0.942 331 G HN 0.473 nan 8.290 nan 0.000 0.495 332 D N 2.289 122.585 120.400 -0.172 0.000 2.488 332 D HA 0.342 4.982 4.640 0.000 0.000 0.238 332 D C -1.806 174.114 176.300 -0.633 0.000 1.138 332 D CA 0.106 53.889 54.000 -0.361 0.000 0.873 332 D CB 1.069 41.642 40.800 -0.378 0.000 1.183 332 D HN 0.220 nan 8.370 nan 0.000 0.458 333 P HA 0.090 nan 4.420 nan 0.000 0.282 333 P C -0.427 176.630 177.300 -0.405 0.000 1.262 333 P CA 0.118 62.998 63.100 -0.367 0.000 0.773 333 P CB 0.365 31.739 31.700 -0.544 0.000 0.879 334 Y N 1.482 121.821 120.300 0.065 0.000 2.638 334 Y HA 0.203 4.753 4.550 0.001 0.000 0.275 334 Y C 0.408 176.174 175.900 -0.224 0.000 1.122 334 Y CA -0.141 57.920 58.100 -0.064 0.000 1.266 334 Y CB 0.430 38.889 38.460 -0.001 0.000 1.317 334 Y HN 0.193 nan 8.280 nan 0.000 0.501 335 Y N 1.160 121.566 120.300 0.177 0.000 2.331 335 Y HA 0.425 4.975 4.550 0.000 0.000 0.334 335 Y C -2.606 173.370 175.900 0.126 0.000 0.960 335 Y CA -3.624 54.493 58.100 0.028 0.000 1.130 335 Y CB 0.990 39.356 38.460 -0.156 0.000 1.164 335 Y HN -0.178 nan 8.280 nan 0.000 0.458 336 P HA 0.056 nan 4.420 nan 0.000 0.270 336 P C -0.676 176.574 177.300 -0.084 0.000 1.223 336 P CA -0.180 62.667 63.100 -0.421 0.000 0.785 336 P CB 0.795 31.920 31.700 -0.959 0.000 0.923 337 V N 3.335 123.195 119.914 -0.089 0.000 2.250 337 V HA 0.238 4.358 4.120 0.000 0.000 0.268 337 V C -2.233 173.851 176.094 -0.016 0.000 1.043 337 V CA -1.734 60.616 62.300 0.083 0.000 0.814 337 V CB 0.711 32.657 31.823 0.206 0.000 1.072 337 V HN 0.501 nan 8.190 nan 0.000 0.451 338 P HA 0.399 nan 4.420 nan 0.000 0.271 338 P C -0.328 176.935 177.300 -0.061 0.000 1.233 338 P CA -0.003 63.071 63.100 -0.044 0.000 0.764 338 P CB 0.361 32.041 31.700 -0.033 0.000 0.825 339 R N 2.367 122.873 120.500 0.011 0.000 3.466 339 R HA 0.152 4.492 4.340 0.000 0.000 0.262 339 R C -2.823 173.499 176.300 0.037 0.000 0.997 339 R CA -1.183 54.918 56.100 0.002 0.000 0.978 339 R CB -0.574 29.716 30.300 -0.017 0.000 1.256 339 R HN 0.016 nan 8.270 nan 0.000 0.536 340 P HA -0.290 nan 4.420 nan 0.000 0.217 340 P C 0.829 178.147 177.300 0.030 0.000 1.158 340 P CA 2.193 65.309 63.100 0.026 0.000 0.887 340 P CB 0.093 31.801 31.700 0.012 0.000 0.792 341 E N -1.528 118.689 120.200 0.029 0.000 2.285 341 E HA -0.108 4.242 4.350 0.000 0.000 0.194 341 E C 1.238 177.857 176.600 0.032 0.000 0.997 341 E CA 0.781 57.194 56.400 0.022 0.000 0.845 341 E CB -0.660 29.052 29.700 0.021 0.000 0.782 341 E HN 0.216 nan 8.360 nan 0.000 0.491 342 N N 1.479 120.216 118.700 0.062 0.000 2.376 342 N HA 0.017 4.757 4.740 0.000 0.000 0.177 342 N C 1.766 177.319 175.510 0.071 0.000 1.024 342 N CA 1.236 54.329 53.050 0.072 0.000 0.893 342 N CB -0.091 38.496 38.487 0.166 0.000 0.980 342 N HN 0.315 nan 8.380 nan 0.000 0.439 343 A N 1.214 124.100 122.820 0.111 0.000 1.930 343 A HA -0.142 4.178 4.320 0.000 0.000 0.217 343 A C 2.132 179.766 177.584 0.083 0.000 1.175 343 A CA 1.355 53.476 52.037 0.141 0.000 0.627 343 A CB -0.440 18.632 19.000 0.121 0.000 0.815 343 A HN 0.395 nan 8.150 nan 0.000 0.443 344 E N -0.203 120.011 120.200 0.023 0.000 2.077 344 E HA -0.162 4.189 4.350 0.000 0.000 0.193 344 E C 1.955 178.502 176.600 -0.088 0.000 0.989 344 E CA 1.044 57.422 56.400 -0.037 0.000 0.800 344 E CB -0.204 29.469 29.700 -0.045 0.000 0.746 344 E HN 0.585 nan 8.360 nan 0.000 0.452 345 L N 0.242 121.429 121.223 -0.060 0.000 2.056 345 L HA -0.182 4.158 4.340 0.000 0.000 0.207 345 L C 2.529 179.359 176.870 -0.068 0.000 1.078 345 L CA 1.565 56.353 54.840 -0.088 0.000 0.749 345 L CB -0.391 41.667 42.059 -0.002 0.000 0.901 345 L HN 0.334 nan 8.230 nan 0.000 0.433 346 Y N 0.970 121.188 120.300 -0.136 0.000 2.224 346 Y HA -0.304 4.246 4.550 0.000 0.000 0.289 346 Y C 2.610 178.486 175.900 -0.039 0.000 1.146 346 Y CA 1.959 59.994 58.100 -0.109 0.000 1.182 346 Y CB -0.273 38.021 38.460 -0.278 0.000 0.983 346 Y HN 0.079 nan 8.280 nan 0.000 0.524 347 K N 0.624 120.867 120.400 -0.262 0.000 2.152 347 K HA -0.210 4.111 4.320 0.000 0.000 0.206 347 K C 1.951 178.325 176.600 -0.377 0.000 1.048 347 K CA 1.735 57.826 56.287 -0.328 0.000 0.933 347 K CB -0.063 32.347 32.500 -0.151 0.000 0.721 347 K HN 0.358 nan 8.250 nan 0.000 0.447 348 K N -0.492 119.669 120.400 -0.399 0.000 2.025 348 K HA -0.158 4.163 4.320 0.000 0.000 0.207 348 K C 2.151 178.550 176.600 -0.335 0.000 1.049 348 K CA 1.590 57.572 56.287 -0.507 0.000 0.933 348 K CB -0.304 31.616 32.500 -0.966 0.000 0.714 348 K HN 0.286 nan 8.250 nan 0.000 0.438 349 Y N 1.538 121.717 120.300 -0.202 0.000 2.242 349 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 349 Y C 2.617 178.257 175.900 -0.434 0.000 1.137 349 Y CA 0.978 58.945 58.100 -0.222 0.000 1.181 349 Y CB 0.024 38.448 38.460 -0.059 0.000 0.989 349 Y HN 0.231 nan 8.280 nan 0.000 0.527 350 E N 0.440 120.337 120.200 -0.505 0.000 2.110 350 E HA -0.231 4.119 4.350 0.000 0.000 0.193 350 E C 2.287 178.700 176.600 -0.312 0.000 0.988 350 E CA 0.908 57.001 56.400 -0.513 0.000 0.804 350 E CB -0.123 29.147 29.700 -0.717 0.000 0.745 350 E HN 0.447 nan 8.360 nan 0.000 0.458 351 A N 1.080 123.731 122.820 -0.281 0.000 1.902 351 A HA -0.136 4.185 4.320 0.000 0.000 0.217 351 A C 2.190 179.653 177.584 -0.202 0.000 1.181 351 A CA 1.028 52.947 52.037 -0.198 0.000 0.623 351 A CB -0.580 18.313 19.000 -0.178 0.000 0.818 351 A HN 0.291 nan 8.150 nan 0.000 0.443 352 L N -0.855 120.177 121.223 -0.319 0.000 2.046 352 L HA -0.183 4.158 4.340 0.000 0.000 0.208 352 L C 3.090 179.798 176.870 -0.269 0.000 1.077 352 L CA 1.046 55.599 54.840 -0.479 0.000 0.747 352 L CB -0.644 40.685 42.059 -1.217 0.000 0.896 352 L HN 0.439 nan 8.230 nan 0.000 0.432 353 A N 0.023 122.661 122.820 -0.303 0.000 1.902 353 A HA -0.216 4.104 4.320 0.000 0.000 0.217 353 A C 1.881 179.422 177.584 -0.071 0.000 1.181 353 A CA 1.934 53.754 52.037 -0.361 0.000 0.623 353 A CB -0.481 17.875 19.000 -1.073 0.000 0.818 353 A HN 0.346 nan 8.150 nan 0.000 0.443 354 D N -0.073 120.282 120.400 -0.075 0.000 2.219 354 D HA 0.038 4.678 4.640 0.000 0.000 0.205 354 D C 1.945 178.277 176.300 0.054 0.000 0.970 354 D CA 1.276 55.284 54.000 0.013 0.000 0.851 354 D CB -0.216 40.575 40.800 -0.015 0.000 0.943 354 D HN 0.455 nan 8.370 nan 0.000 0.488 355 A N 0.460 123.306 122.820 0.043 0.000 2.081 355 A HA 0.317 4.637 4.320 0.000 0.000 0.214 355 A C 1.492 179.158 177.584 0.136 0.000 1.158 355 A CA 0.523 52.600 52.037 0.067 0.000 0.724 355 A CB -0.051 18.967 19.000 0.029 0.000 0.826 355 A HN 0.138 nan 8.150 nan 0.000 0.463 356 A N 1.218 124.169 122.820 0.219 0.000 2.785 356 A HA 0.394 4.714 4.320 0.000 0.000 0.294 356 A C 0.168 177.905 177.584 0.254 0.000 1.597 356 A CA -0.279 51.942 52.037 0.306 0.000 1.283 356 A CB -0.686 18.619 19.000 0.509 0.000 1.088 356 A HN 0.627 nan 8.150 nan 0.000 0.568 357 Q N 1.114 121.028 119.800 0.189 0.000 2.392 357 Q HA 0.217 4.558 4.340 0.000 0.000 0.262 357 Q C -0.084 176.028 176.000 0.188 0.000 1.003 357 Q CA 0.199 56.101 55.803 0.165 0.000 0.888 357 Q CB 0.524 29.337 28.738 0.126 0.000 1.260 357 Q HN 0.734 nan 8.270 nan 0.000 0.435 358 D N -0.800 119.721 120.400 0.201 0.000 2.748 358 D HA -0.138 4.502 4.640 0.000 0.000 0.189 358 D C -1.007 175.436 176.300 0.239 0.000 0.982 358 D CA 0.754 54.906 54.000 0.253 0.000 1.017 358 D CB -0.819 40.109 40.800 0.212 0.000 1.076 358 D HN 0.278 nan 8.370 nan 0.000 0.446 359 V N 1.266 121.294 119.914 0.190 0.000 2.443 359 V HA 0.528 4.649 4.120 0.000 0.000 0.293 359 V C 0.442 176.573 176.094 0.061 0.000 1.021 359 V CA -0.325 62.008 62.300 0.054 0.000 0.848 359 V CB 1.917 33.704 31.823 -0.060 0.000 0.998 359 V HN 0.200 nan 8.190 nan 0.000 0.424 360 T N 3.711 118.265 114.554 0.000 0.000 2.859 360 T HA 0.750 5.101 4.350 0.000 0.000 0.281 360 T C -0.935 173.726 174.700 -0.065 0.000 1.005 360 T CA -0.252 61.904 62.100 0.094 0.000 1.025 360 T CB 0.796 69.738 68.868 0.124 0.000 0.977 360 T HN 0.186 nan 8.240 nan 0.000 0.458 361 F N 3.171 123.139 119.950 0.030 0.000 2.436 361 F HA 0.717 5.244 4.527 0.000 0.000 0.340 361 F C 0.173 176.007 175.800 0.057 0.000 1.113 361 F CA -0.753 57.274 58.000 0.044 0.000 1.022 361 F CB 1.935 40.982 39.000 0.077 0.000 1.128 361 F HN 0.526 nan 8.300 nan 0.000 0.466 362 V N 2.642 122.644 119.914 0.147 0.000 2.969 362 V HA 0.933 5.053 4.120 0.000 0.000 0.304 362 V C -0.562 175.575 176.094 0.072 0.000 1.192 362 V CA 0.240 62.608 62.300 0.114 0.000 0.962 362 V CB 1.429 33.299 31.823 0.078 0.000 1.045 362 V HN 1.264 nan 8.190 nan 0.000 0.428 363 G N 4.803 113.665 108.800 0.102 0.000 2.440 363 G HA2 -0.059 3.901 3.960 0.000 0.000 0.684 363 G HA3 -0.059 3.901 3.960 0.000 0.000 0.684 363 G C 0.079 175.010 174.900 0.051 0.000 1.309 363 G CA 0.172 45.327 45.100 0.091 0.000 0.931 363 G HN 1.243 nan 8.290 nan 0.000 0.612 364 R N -0.409 120.129 120.500 0.064 0.000 2.096 364 R HA -0.043 4.297 4.340 0.000 0.000 0.240 364 R C 2.371 178.702 176.300 0.050 0.000 1.139 364 R CA 2.188 58.300 56.100 0.021 0.000 0.952 364 R CB -0.354 29.999 30.300 0.087 0.000 0.854 364 R HN 0.552 nan 8.270 nan 0.000 0.436 365 L N -0.452 120.805 121.223 0.056 0.000 2.131 365 L HA 0.024 4.364 4.340 0.000 0.000 0.206 365 L C 2.621 179.624 176.870 0.221 0.000 1.087 365 L CA 0.945 55.843 54.840 0.097 0.000 0.767 365 L CB -0.419 41.575 42.059 -0.107 0.000 0.917 365 L HN 0.285 nan 8.230 nan 0.000 0.441 366 A N -0.011 122.904 122.820 0.157 0.000 2.016 366 A HA -0.098 4.222 4.320 0.000 0.000 0.217 366 A C 2.096 179.900 177.584 0.367 0.000 1.162 366 A CA 1.732 53.953 52.037 0.305 0.000 0.662 366 A CB -0.494 18.646 19.000 0.233 0.000 0.812 366 A HN 0.470 nan 8.150 nan 0.000 0.450 367 T N -7.298 107.386 114.554 0.216 0.000 3.084 367 T HA 0.211 4.561 4.350 0.000 0.000 0.270 367 T C 0.289 174.885 174.700 -0.173 0.000 1.008 367 T CA 0.170 62.361 62.100 0.150 0.000 0.900 367 T CB -0.403 68.524 68.868 0.098 0.000 1.084 367 T HN 0.651 nan 8.240 nan 0.000 0.538 368 Y N 2.291 122.454 120.300 -0.229 0.000 3.234 368 Y HA -0.270 4.281 4.550 0.000 0.000 0.207 368 Y C -0.260 175.441 175.900 -0.333 0.000 1.316 368 Y CA -0.059 57.847 58.100 -0.323 0.000 1.309 368 Y CB -1.779 36.230 38.460 -0.752 0.000 1.408 368 Y HN 0.446 nan 8.280 nan 0.000 0.544 369 R N 0.658 120.974 120.500 -0.306 0.000 2.711 369 R HA 0.364 4.705 4.340 0.000 0.000 0.284 369 R C -0.929 175.298 176.300 -0.121 0.000 0.968 369 R CA -1.136 54.760 56.100 -0.341 0.000 0.924 369 R CB 1.103 30.928 30.300 -0.791 0.000 1.162 369 R HN 0.152 nan 8.270 nan 0.000 0.465 370 Y N 3.256 123.517 120.300 -0.065 0.000 2.636 370 Y HA 0.190 4.741 4.550 0.001 0.000 0.334 370 Y C -1.213 174.859 175.900 0.287 0.000 1.286 370 Y CA -0.965 57.209 58.100 0.123 0.000 1.688 370 Y CB -0.326 38.244 38.460 0.182 0.000 1.662 370 Y HN 0.368 nan 8.280 nan 0.000 0.465 371 Y N 2.953 123.428 120.300 0.291 0.000 2.342 371 Y HA 0.307 4.857 4.550 0.001 0.000 0.334 371 Y C 0.494 176.455 175.900 0.102 0.000 1.067 371 Y CA -1.621 56.560 58.100 0.136 0.000 1.128 371 Y CB 0.857 39.366 38.460 0.083 0.000 1.200 371 Y HN 0.404 nan 8.280 nan 0.000 0.464 372 N N 3.163 121.909 118.700 0.077 0.000 2.424 372 N HA 0.141 4.881 4.740 0.000 0.000 0.257 372 N C 1.294 176.704 175.510 -0.167 0.000 1.250 372 N CA -0.139 52.871 53.050 -0.067 0.000 0.946 372 N CB 0.676 39.019 38.487 -0.240 0.000 1.175 372 N HN 0.675 nan 8.380 nan 0.000 0.477 373 M N 0.298 119.756 119.600 -0.236 0.000 2.108 373 M HA -0.231 4.249 4.480 0.000 0.000 0.257 373 M C 1.533 177.582 176.300 -0.419 0.000 1.071 373 M CA 1.657 56.701 55.300 -0.426 0.000 1.093 373 M CB -0.376 31.918 32.600 -0.510 0.000 1.345 373 M HN 0.594 nan 8.290 nan 0.000 0.403 374 D N 0.018 120.169 120.400 -0.415 0.000 2.144 374 D HA -0.209 4.431 4.640 0.000 0.000 0.200 374 D C 1.634 177.796 176.300 -0.230 0.000 0.978 374 D CA 1.412 55.248 54.000 -0.274 0.000 0.833 374 D CB -0.523 39.983 40.800 -0.491 0.000 0.961 374 D HN 0.522 nan 8.370 nan 0.000 0.470 375 Q N 0.279 119.876 119.800 -0.338 0.000 2.119 375 Q HA -0.039 4.301 4.340 0.000 0.000 0.201 375 Q C 2.634 178.451 176.000 -0.306 0.000 0.972 375 Q CA 0.912 56.442 55.803 -0.456 0.000 0.847 375 Q CB 0.152 28.350 28.738 -0.899 0.000 0.903 375 Q HN 0.195 nan 8.270 nan 0.000 0.433 376 V N 0.185 120.028 119.914 -0.118 0.000 2.427 376 V HA -0.206 3.914 4.120 0.000 0.000 0.248 376 V C 2.187 178.331 176.094 0.082 0.000 1.051 376 V CA 1.237 63.602 62.300 0.108 0.000 1.048 376 V CB -0.341 31.589 31.823 0.179 0.000 0.666 376 V HN 0.181 nan 8.190 nan 0.000 0.456 377 V N 0.494 120.427 119.914 0.030 0.000 2.295 377 V HA -0.275 3.845 4.120 0.000 0.000 0.246 377 V C 2.738 178.838 176.094 0.010 0.000 1.049 377 V CA 2.140 64.488 62.300 0.080 0.000 1.024 377 V CB -1.205 30.707 31.823 0.147 0.000 0.648 377 V HN 0.557 nan 8.190 nan 0.000 0.447 378 A N -0.842 121.968 122.820 -0.017 0.000 1.902 378 A HA -0.321 3.999 4.320 0.000 0.000 0.217 378 A C 2.277 179.865 177.584 0.006 0.000 1.181 378 A CA 2.179 54.200 52.037 -0.025 0.000 0.623 378 A CB -0.613 18.357 19.000 -0.051 0.000 0.818 378 A HN 0.608 nan 8.150 nan 0.000 0.443 379 Q N -0.640 119.183 119.800 0.038 0.000 2.135 379 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 379 Q C 2.151 178.206 176.000 0.091 0.000 0.981 379 Q CA 1.644 57.513 55.803 0.110 0.000 0.856 379 Q CB -0.302 28.578 28.738 0.238 0.000 0.902 379 Q HN 0.626 nan 8.270 nan 0.000 0.425 380 A N 0.430 123.292 122.820 0.071 0.000 1.929 380 A HA -0.071 4.249 4.320 0.000 0.000 0.216 380 A C 2.010 179.610 177.584 0.027 0.000 1.176 380 A CA 0.702 52.768 52.037 0.049 0.000 0.628 380 A CB -0.480 18.545 19.000 0.042 0.000 0.816 380 A HN 0.421 nan 8.150 nan 0.000 0.444 381 L N -0.770 120.439 121.223 -0.022 0.000 2.083 381 L HA -0.190 4.150 4.340 0.000 0.000 0.209 381 L C 3.036 179.953 176.870 0.078 0.000 1.083 381 L CA 1.077 55.906 54.840 -0.018 0.000 0.752 381 L CB -0.483 41.508 42.059 -0.113 0.000 0.899 381 L HN 0.447 nan 8.230 nan 0.000 0.433 382 A N -0.608 122.245 122.820 0.055 0.000 1.929 382 A HA -0.144 4.177 4.320 0.000 0.000 0.216 382 A C 2.337 179.957 177.584 0.060 0.000 1.176 382 A CA 1.928 53.998 52.037 0.054 0.000 0.628 382 A CB -0.734 18.296 19.000 0.050 0.000 0.816 382 A HN 0.346 nan 8.150 nan 0.000 0.444 383 T N -0.468 114.133 114.554 0.079 0.000 2.720 383 T HA -0.152 4.198 4.350 0.000 0.000 0.268 383 T C 1.598 176.348 174.700 0.084 0.000 1.037 383 T CA 1.628 63.775 62.100 0.078 0.000 1.144 383 T CB -0.405 68.513 68.868 0.083 0.000 0.864 383 T HN 0.494 nan 8.240 nan 0.000 0.444 384 F N 2.219 122.143 119.950 -0.043 0.000 2.134 384 F HA -0.059 4.468 4.527 0.000 0.000 0.299 384 F C 2.357 178.139 175.800 -0.031 0.000 1.097 384 F CA 1.214 59.178 58.000 -0.059 0.000 1.264 384 F CB -0.280 38.674 39.000 -0.076 0.000 1.001 384 F HN -0.064 nan 8.300 nan 0.000 0.479 385 R N -0.270 120.121 120.500 -0.181 0.000 2.092 385 R HA -0.112 4.228 4.340 0.000 0.000 0.231 385 R C 2.423 178.612 176.300 -0.185 0.000 1.119 385 R CA 1.422 57.370 56.100 -0.253 0.000 0.970 385 R CB -0.305 29.944 30.300 -0.085 0.000 0.864 385 R HN 0.239 nan 8.270 nan 0.000 0.440 386 R N 0.068 120.511 120.500 -0.094 0.000 2.073 386 R HA -0.101 4.239 4.340 0.000 0.000 0.234 386 R C 2.027 178.282 176.300 -0.074 0.000 1.134 386 R CA 1.090 57.157 56.100 -0.055 0.000 0.952 386 R CB -0.302 29.996 30.300 -0.004 0.000 0.850 386 R HN 0.050 nan 8.270 nan 0.000 0.433 387 L N 1.016 122.189 121.223 -0.083 0.000 2.079 387 L HA -0.186 4.155 4.340 0.000 0.000 0.210 387 L C 1.684 178.483 176.870 -0.118 0.000 1.081 387 L CA 1.757 56.558 54.840 -0.064 0.000 0.752 387 L CB -0.556 41.494 42.059 -0.015 0.000 0.896 387 L HN 0.224 nan 8.230 nan 0.000 0.433 388 Q N -0.812 118.829 119.800 -0.265 0.000 2.373 388 Q HA 0.129 4.470 4.340 0.000 0.000 0.206 388 Q C 1.644 177.555 176.000 -0.149 0.000 0.942 388 Q CA 0.678 56.324 55.803 -0.261 0.000 0.953 388 Q CB 0.021 28.464 28.738 -0.492 0.000 1.022 388 Q HN 0.597 nan 8.270 nan 0.000 0.502 389 G N 1.641 110.379 108.800 -0.104 0.000 3.548 389 G HA2 -0.433 3.528 3.960 0.000 0.000 0.224 389 G HA3 -0.433 3.528 3.960 0.000 0.000 0.224 389 G C 0.545 175.407 174.900 -0.063 0.000 1.351 389 G CA 0.636 45.699 45.100 -0.062 0.000 0.905 389 G HN 0.549 nan 8.290 nan 0.000 0.561 390 Q N 0.000 119.752 119.800 -0.080 0.000 2.315 390 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 390 Q CA 0.000 55.765 55.803 -0.064 0.000 1.022 390 Q CB 0.000 28.691 28.738 -0.079 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481