REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mj4_1_G DATA FIRST_RESID 27 DATA SEQUENCE SKGFDYLIVG AGFAGSVLAE RLASSGQRVL IVDRRPHIGG NAYDCYDDAG DATA SEQUENCE VLIHPYGPHI FHTNSKDVFE YLSRFTEWRP YQHRVLASVD GQLLPIPINL DATA SEQUENCE DTVNRLYGLN LTSFQVEEFF ASVAEKVEQV RTSEDVVVSK VGRDLYNKFF DATA SEQUENCE RGYTRKQWGL DPSELDASVT ARVPTRTNRD NRYFADTYQA MPLHGYTRMF DATA SEQUENCE QNMLSSPNIK VMLNTDYREI ADFIPFQHMI YTGPVDAFFD FCYGKLPYRS DATA SEQUENCE LEFRHETHDT EQLLPTGTVN YPNDYAYTRV SEFKHITGQR HHQTSVVYEY DATA SEQUENCE PRAEGDPYYP VPRPENAELY KKYEALADAA QDVTFVGRLA TYRYYNMDQV DATA SEQUENCE VAQALATFRR LQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.587 174.600 -0.022 0.000 1.055 27 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 27 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 28 K N 1.063 121.445 120.400 -0.030 0.000 2.328 28 K HA 0.779 5.099 4.320 0.000 0.000 0.246 28 K C 0.395 176.954 176.600 -0.068 0.000 0.955 28 K CA 0.352 56.608 56.287 -0.052 0.000 0.817 28 K CB 1.383 33.854 32.500 -0.049 0.000 1.208 28 K HN 1.307 nan 8.250 nan 0.000 0.432 29 G N 1.805 110.513 108.800 -0.155 0.000 2.456 29 G HA2 -0.073 3.887 3.960 0.000 0.000 0.204 29 G HA3 -0.073 3.887 3.960 0.000 0.000 0.204 29 G C -1.420 173.227 174.900 -0.421 0.000 1.193 29 G CA -0.601 44.349 45.100 -0.250 0.000 1.220 29 G HN 0.434 nan 8.290 nan 0.000 0.565 30 F N 1.301 121.322 119.950 0.119 0.000 2.522 30 F HA 0.557 5.084 4.527 0.000 0.000 0.324 30 F C 1.020 176.891 175.800 0.117 0.000 1.077 30 F CA -0.616 57.461 58.000 0.128 0.000 0.944 30 F CB 1.968 41.060 39.000 0.152 0.000 1.175 30 F HN 0.343 nan 8.300 nan 0.000 0.468 31 D N 0.606 121.178 120.400 0.286 0.000 2.103 31 D HA -0.126 4.514 4.640 0.000 0.000 0.199 31 D C -0.364 175.920 176.300 -0.026 0.000 0.978 31 D CA 1.889 55.953 54.000 0.107 0.000 0.829 31 D CB 0.012 40.900 40.800 0.147 0.000 0.981 31 D HN 0.331 nan 8.370 nan 0.000 0.464 32 Y N -0.178 120.276 120.300 0.256 0.000 2.361 32 Y HA 0.344 4.894 4.550 0.000 0.000 0.337 32 Y C -0.364 175.569 175.900 0.055 0.000 0.965 32 Y CA -1.212 57.001 58.100 0.189 0.000 1.091 32 Y CB 1.871 40.414 38.460 0.139 0.000 1.182 32 Y HN -0.223 nan 8.280 nan 0.000 0.450 33 L N 5.593 126.852 121.223 0.060 0.000 2.265 33 L HA 0.596 4.937 4.340 0.000 0.000 0.288 33 L C -1.122 175.630 176.870 -0.197 0.000 1.058 33 L CA -0.280 54.406 54.840 -0.256 0.000 0.809 33 L CB 0.072 41.648 42.059 -0.805 0.000 1.179 33 L HN 0.498 nan 8.230 nan 0.000 0.429 34 I N 6.037 126.496 120.570 -0.185 0.000 2.362 34 I HA 0.337 4.507 4.170 0.000 0.000 0.289 34 I C -0.707 175.273 176.117 -0.228 0.000 0.994 34 I CA -0.927 60.271 61.300 -0.170 0.000 1.158 34 I CB 1.838 39.766 38.000 -0.121 0.000 1.315 34 I HN 0.254 nan 8.210 nan 0.000 0.451 35 V N 5.490 125.237 119.914 -0.279 0.000 2.333 35 V HA 0.746 4.866 4.120 0.000 0.000 0.274 35 V C 0.476 176.370 176.094 -0.334 0.000 1.028 35 V CA -0.311 61.799 62.300 -0.316 0.000 0.851 35 V CB 0.628 32.180 31.823 -0.452 0.000 1.000 35 V HN 1.075 nan 8.190 nan 0.000 0.456 36 G N 4.217 112.857 108.800 -0.266 0.000 3.225 36 G HA2 0.287 4.247 3.960 0.000 0.000 0.686 36 G HA3 0.287 4.247 3.960 0.000 0.000 0.686 36 G C -0.167 174.593 174.900 -0.235 0.000 1.105 36 G CA -0.276 44.664 45.100 -0.266 0.000 0.831 36 G HN 1.453 nan 8.290 nan 0.000 0.578 37 A N 1.685 124.352 122.820 -0.255 0.000 2.827 37 A HA 0.784 5.104 4.320 0.000 0.000 0.300 37 A C 1.389 178.760 177.584 -0.354 0.000 1.237 37 A CA 1.148 53.029 52.037 -0.260 0.000 0.964 37 A CB -0.188 18.658 19.000 -0.257 0.000 1.143 37 A HN 2.088 nan 8.150 nan 0.000 0.554 38 G N -1.260 107.369 108.800 -0.286 0.000 2.531 38 G HA2 0.399 4.359 3.960 0.000 0.000 0.253 38 G HA3 0.399 4.359 3.960 0.000 0.000 0.253 38 G C 0.591 175.477 174.900 -0.023 0.000 1.439 38 G CA -0.438 44.489 45.100 -0.288 0.000 1.056 38 G HN 0.172 nan 8.290 nan 0.000 0.555 39 F N 0.738 120.780 119.950 0.154 0.000 2.126 39 F HA -0.092 4.435 4.527 0.000 0.000 0.299 39 F C 3.039 178.898 175.800 0.098 0.000 1.096 39 F CA 1.797 59.944 58.000 0.246 0.000 1.255 39 F CB -0.064 39.053 39.000 0.194 0.000 0.997 39 F HN 0.335 nan 8.300 nan 0.000 0.479 40 A N 0.157 123.104 122.820 0.211 0.000 1.835 40 A HA -0.107 4.214 4.320 0.000 0.000 0.215 40 A C 2.529 180.126 177.584 0.022 0.000 1.199 40 A CA 1.896 53.986 52.037 0.089 0.000 0.615 40 A CB -1.656 17.366 19.000 0.037 0.000 0.838 40 A HN 0.401 nan 8.150 nan 0.000 0.444 41 G N -1.002 107.778 108.800 -0.033 0.000 2.446 41 G HA2 -0.154 3.806 3.960 0.000 0.000 0.217 41 G HA3 -0.154 3.806 3.960 0.000 0.000 0.217 41 G C 1.856 176.722 174.900 -0.057 0.000 1.168 41 G CA 1.404 46.457 45.100 -0.078 0.000 0.771 41 G HN 0.483 nan 8.290 nan 0.000 0.551 42 S N -0.264 115.423 115.700 -0.022 0.000 2.368 42 S HA -0.080 4.390 4.470 0.000 0.000 0.224 42 S C 2.518 177.093 174.600 -0.041 0.000 1.029 42 S CA 1.019 59.210 58.200 -0.015 0.000 0.988 42 S CB -0.215 63.055 63.200 0.115 0.000 0.838 42 S HN 0.177 nan 8.310 nan 0.000 0.462 43 V N 2.064 121.985 119.914 0.011 0.000 2.261 43 V HA -0.179 3.941 4.120 0.000 0.000 0.246 43 V C 2.222 178.271 176.094 -0.074 0.000 1.047 43 V CA 1.643 63.949 62.300 0.009 0.000 1.015 43 V CB -0.687 31.170 31.823 0.057 0.000 0.642 43 V HN 0.386 nan 8.190 nan 0.000 0.446 44 L N 0.016 121.196 121.223 -0.072 0.000 2.013 44 L HA -0.254 4.087 4.340 0.000 0.000 0.212 44 L C 2.723 179.516 176.870 -0.128 0.000 1.073 44 L CA 1.918 56.698 54.840 -0.099 0.000 0.753 44 L CB -0.846 41.171 42.059 -0.069 0.000 0.890 44 L HN 0.377 nan 8.230 nan 0.000 0.432 45 A N -0.694 122.065 122.820 -0.102 0.000 1.927 45 A HA -0.301 4.019 4.320 0.000 0.000 0.220 45 A C 2.346 179.881 177.584 -0.082 0.000 1.185 45 A CA 2.209 54.194 52.037 -0.086 0.000 0.639 45 A CB -0.597 18.356 19.000 -0.078 0.000 0.820 45 A HN 0.490 nan 8.150 nan 0.000 0.451 46 E N -0.425 119.714 120.200 -0.102 0.000 2.046 46 E HA -0.176 4.174 4.350 0.000 0.000 0.190 46 E C 2.290 178.826 176.600 -0.107 0.000 0.982 46 E CA 0.800 57.150 56.400 -0.084 0.000 0.800 46 E CB -0.236 29.390 29.700 -0.122 0.000 0.756 46 E HN 0.423 nan 8.360 nan 0.000 0.449 47 R N 0.304 120.652 120.500 -0.252 0.000 2.070 47 R HA -0.106 4.235 4.340 0.000 0.000 0.233 47 R C 2.508 178.555 176.300 -0.421 0.000 1.137 47 R CA 0.571 56.295 56.100 -0.626 0.000 0.945 47 R CB -1.107 28.384 30.300 -1.349 0.000 0.845 47 R HN 0.211 nan 8.270 nan 0.000 0.430 48 L N 0.838 121.955 121.223 -0.177 0.000 1.997 48 L HA -0.179 4.161 4.340 0.000 0.000 0.216 48 L C 2.503 179.430 176.870 0.094 0.000 1.074 48 L CA 2.172 57.065 54.840 0.088 0.000 0.763 48 L CB -1.420 40.584 42.059 -0.093 0.000 0.890 48 L HN 0.204 nan 8.230 nan 0.000 0.434 49 A N -1.024 121.818 122.820 0.037 0.000 1.940 49 A HA -0.225 4.095 4.320 0.000 0.000 0.219 49 A C 2.453 180.079 177.584 0.071 0.000 1.176 49 A CA 2.129 54.206 52.037 0.067 0.000 0.631 49 A CB -0.830 18.196 19.000 0.044 0.000 0.814 49 A HN 0.595 nan 8.150 nan 0.000 0.446 50 S N 0.080 115.808 115.700 0.046 0.000 2.453 50 S HA -0.056 4.414 4.470 0.000 0.000 0.231 50 S C 1.474 176.127 174.600 0.089 0.000 1.005 50 S CA 1.137 59.370 58.200 0.055 0.000 0.949 50 S CB -0.623 62.599 63.200 0.036 0.000 0.774 50 S HN 0.855 nan 8.310 nan 0.000 0.510 51 S N 0.027 115.807 115.700 0.133 0.000 2.618 51 S HA 0.572 5.042 4.470 0.000 0.000 0.242 51 S C 1.353 176.035 174.600 0.136 0.000 0.972 51 S CA 0.020 58.315 58.200 0.158 0.000 1.004 51 S CB -0.455 62.892 63.200 0.245 0.000 0.778 51 S HN 1.294 nan 8.310 nan 0.000 0.459 52 G N 0.681 109.550 108.800 0.116 0.000 2.179 52 G HA2 -0.253 3.708 3.960 0.000 0.000 0.260 52 G HA3 -0.253 3.708 3.960 0.000 0.000 0.260 52 G C 0.024 175.001 174.900 0.129 0.000 0.977 52 G CA -0.083 45.080 45.100 0.106 0.000 0.641 52 G HN 0.544 nan 8.290 nan 0.000 0.533 53 Q N 0.340 120.242 119.800 0.169 0.000 2.392 53 Q HA 0.352 4.692 4.340 0.000 0.000 0.262 53 Q C 0.722 176.852 176.000 0.218 0.000 1.003 53 Q CA 0.259 56.196 55.803 0.224 0.000 0.888 53 Q CB 0.489 29.422 28.738 0.325 0.000 1.260 53 Q HN 0.564 nan 8.270 nan 0.000 0.435 54 R N 0.809 121.456 120.500 0.246 0.000 2.202 54 R HA 0.416 4.756 4.340 0.000 0.000 0.334 54 R C -0.548 175.992 176.300 0.401 0.000 1.036 54 R CA -0.348 55.924 56.100 0.287 0.000 0.878 54 R CB 0.789 31.231 30.300 0.238 0.000 1.067 54 R HN 0.237 nan 8.270 nan 0.000 0.457 55 V N 4.682 124.782 119.914 0.311 0.000 2.581 55 V HA 0.347 4.467 4.120 0.000 0.000 0.303 55 V C -0.705 175.342 176.094 -0.079 0.000 1.041 55 V CA -0.955 61.448 62.300 0.171 0.000 0.907 55 V CB 1.834 33.709 31.823 0.086 0.000 0.994 55 V HN 0.482 nan 8.190 nan 0.000 0.442 56 L N 6.073 127.059 121.223 -0.394 0.000 2.318 56 L HA 0.647 4.988 4.340 0.000 0.000 0.277 56 L C -0.738 175.922 176.870 -0.350 0.000 1.008 56 L CA 0.057 54.486 54.840 -0.685 0.000 0.846 56 L CB 1.027 42.266 42.059 -1.367 0.000 1.220 56 L HN 0.666 nan 8.230 nan 0.000 0.423 57 I N 5.228 125.653 120.570 -0.241 0.000 2.336 57 I HA 0.606 4.777 4.170 0.000 0.000 0.292 57 I C -1.175 174.832 176.117 -0.183 0.000 0.991 57 I CA -0.437 60.751 61.300 -0.188 0.000 1.227 57 I CB 1.544 39.458 38.000 -0.144 0.000 1.366 57 I HN 0.497 nan 8.210 nan 0.000 0.466 58 V N 7.411 127.217 119.914 -0.181 0.000 2.823 58 V HA 0.601 4.721 4.120 0.000 0.000 0.312 58 V C -1.310 174.690 176.094 -0.156 0.000 1.072 58 V CA -0.331 61.877 62.300 -0.152 0.000 0.937 58 V CB 2.145 33.893 31.823 -0.125 0.000 1.013 58 V HN 0.770 nan 8.190 nan 0.000 0.430 59 D N 3.303 123.610 120.400 -0.154 0.000 2.857 59 D HA 0.400 5.040 4.640 0.000 0.000 0.227 59 D C 0.590 176.794 176.300 -0.159 0.000 1.192 59 D CA -0.595 53.295 54.000 -0.184 0.000 0.857 59 D CB 2.673 43.318 40.800 -0.258 0.000 1.645 59 D HN 0.494 nan 8.370 nan 0.000 0.482 60 R N 1.085 121.498 120.500 -0.144 0.000 2.120 60 R HA -0.028 4.312 4.340 0.000 0.000 0.234 60 R C 0.756 176.959 176.300 -0.162 0.000 1.123 60 R CA 0.862 56.891 56.100 -0.118 0.000 0.975 60 R CB 0.186 30.430 30.300 -0.094 0.000 0.866 60 R HN 0.198 nan 8.270 nan 0.000 0.446 61 R N 0.661 121.006 120.500 -0.258 0.000 2.615 61 R HA 0.051 4.391 4.340 0.000 0.000 0.270 61 R C -1.739 174.343 176.300 -0.363 0.000 1.081 61 R CA -1.358 54.524 56.100 -0.363 0.000 1.154 61 R CB 0.313 30.220 30.300 -0.654 0.000 1.063 61 R HN -0.000 nan 8.270 nan 0.000 0.519 62 P HA -0.001 nan 4.420 nan 0.000 0.253 62 P C -1.208 175.987 177.300 -0.175 0.000 1.281 62 P CA 0.670 63.666 63.100 -0.174 0.000 0.792 62 P CB 0.032 31.691 31.700 -0.067 0.000 1.193 63 H N -1.588 117.318 119.070 -0.272 0.000 2.981 63 H HA 0.554 5.110 4.556 0.000 0.000 0.327 63 H C -0.097 175.035 175.328 -0.327 0.000 1.342 63 H CA -1.313 54.524 56.048 -0.351 0.000 1.123 63 H CB 0.166 29.477 29.762 -0.752 0.000 1.851 63 H HN -0.169 nan 8.280 nan 0.000 0.531 64 I N -1.875 118.647 120.570 -0.081 0.000 3.223 64 I HA 0.699 4.869 4.170 0.000 0.000 0.317 64 I C 1.092 177.041 176.117 -0.281 0.000 1.050 64 I CA -0.319 60.857 61.300 -0.207 0.000 1.069 64 I CB 1.095 38.992 38.000 -0.172 0.000 1.406 64 I HN 1.133 nan 8.210 nan 0.000 0.596 65 G N 0.662 108.944 108.800 -0.864 0.000 2.217 65 G HA2 -0.093 3.867 3.960 0.000 0.000 0.246 65 G HA3 -0.093 3.867 3.960 0.000 0.000 0.246 65 G C 1.014 175.396 174.900 -0.863 0.000 0.990 65 G CA 0.408 44.523 45.100 -1.641 0.000 0.627 65 G HN 2.142 nan 8.290 nan 0.000 0.522 66 G N 0.690 109.213 108.800 -0.462 0.000 2.602 66 G HA2 -0.413 3.548 3.960 0.000 0.000 0.310 66 G HA3 -0.413 3.548 3.960 0.000 0.000 0.310 66 G C 0.825 175.527 174.900 -0.330 0.000 1.183 66 G CA 1.088 45.975 45.100 -0.355 0.000 0.979 66 G HN 1.295 nan 8.290 nan 0.000 0.545 67 N N 1.607 120.121 118.700 -0.311 0.000 2.494 67 N HA 0.362 5.102 4.740 0.000 0.000 0.182 67 N C 1.918 177.121 175.510 -0.512 0.000 1.076 67 N CA 1.575 54.426 53.050 -0.333 0.000 0.908 67 N CB -0.065 38.383 38.487 -0.065 0.000 0.967 67 N HN 0.912 nan 8.380 nan 0.000 0.449 68 A N -0.970 121.558 122.820 -0.486 0.000 2.390 68 A HA 0.095 4.415 4.320 0.000 0.000 0.232 68 A C 0.048 177.426 177.584 -0.344 0.000 1.233 68 A CA -0.508 51.103 52.037 -0.709 0.000 0.907 68 A CB -0.524 18.183 19.000 -0.488 0.000 0.967 68 A HN 0.327 nan 8.150 nan 0.000 0.512 69 Y N 2.941 123.066 120.300 -0.292 0.000 2.802 69 Y HA 0.227 4.777 4.550 0.000 0.000 0.333 69 Y C -0.114 175.676 175.900 -0.183 0.000 1.244 69 Y CA -0.206 57.765 58.100 -0.215 0.000 1.558 69 Y CB 0.110 38.402 38.460 -0.279 0.000 1.233 69 Y HN 0.538 nan 8.280 nan 0.000 0.547 70 D N 4.853 124.845 120.400 -0.680 0.000 2.374 70 D HA 0.643 5.283 4.640 0.000 0.000 0.239 70 D C -0.843 174.912 176.300 -0.908 0.000 0.991 70 D CA -0.491 53.135 54.000 -0.624 0.000 0.960 70 D CB 1.293 41.972 40.800 -0.202 0.000 1.284 70 D HN 0.722 nan 8.370 nan 0.000 0.512 71 C N -2.460 116.458 119.300 -0.637 0.000 3.275 71 C HA 0.601 5.062 4.460 0.000 0.000 0.340 71 C C -1.526 173.219 174.990 -0.409 0.000 1.366 71 C CA -1.233 57.505 59.018 -0.466 0.000 1.227 71 C CB -0.249 27.260 27.740 -0.385 0.000 1.512 71 C HN 0.627 nan 8.230 nan 0.000 0.461 72 Y N 2.354 122.542 120.300 -0.186 0.000 2.336 72 Y HA 0.440 4.990 4.550 0.000 0.000 0.335 72 Y C 1.126 176.939 175.900 -0.145 0.000 1.046 72 Y CA 0.720 58.732 58.100 -0.147 0.000 1.198 72 Y CB 0.721 39.130 38.460 -0.085 0.000 1.182 72 Y HN 0.867 nan 8.280 nan 0.000 0.502 73 D N 0.273 120.640 120.400 -0.055 0.000 2.380 73 D HA -0.037 4.603 4.640 0.000 0.000 0.254 73 D C 0.393 176.688 176.300 -0.009 0.000 1.288 73 D CA -0.190 53.763 54.000 -0.077 0.000 1.008 73 D CB 0.517 41.238 40.800 -0.133 0.000 1.099 73 D HN 0.424 nan 8.370 nan 0.000 0.537 74 D N -0.921 119.465 120.400 -0.024 0.000 2.221 74 D HA -0.067 4.573 4.640 0.000 0.000 0.204 74 D C 1.648 177.962 176.300 0.023 0.000 0.982 74 D CA 1.774 55.773 54.000 -0.001 0.000 0.857 74 D CB -0.428 40.367 40.800 -0.009 0.000 0.934 74 D HN 0.526 nan 8.370 nan 0.000 0.475 75 A N -0.622 122.204 122.820 0.010 0.000 2.218 75 A HA 0.432 4.753 4.320 0.000 0.000 0.209 75 A C 1.756 179.425 177.584 0.142 0.000 1.168 75 A CA 0.992 53.052 52.037 0.037 0.000 0.804 75 A CB -0.061 18.904 19.000 -0.058 0.000 0.834 75 A HN 0.236 nan 8.150 nan 0.000 0.482 76 G N -1.419 107.461 108.800 0.133 0.000 2.132 76 G HA2 -0.160 3.800 3.960 0.000 0.000 0.234 76 G HA3 -0.160 3.800 3.960 0.000 0.000 0.234 76 G C 0.042 175.132 174.900 0.317 0.000 0.989 76 G CA 0.086 45.339 45.100 0.254 0.000 0.676 76 G HN 0.743 nan 8.290 nan 0.000 0.522 77 V N 1.065 120.993 119.914 0.024 0.000 2.509 77 V HA 0.608 4.728 4.120 0.000 0.000 0.284 77 V C 0.688 176.658 176.094 -0.205 0.000 1.047 77 V CA -0.856 61.367 62.300 -0.129 0.000 0.952 77 V CB 1.697 33.341 31.823 -0.299 0.000 0.988 77 V HN 0.407 nan 8.190 nan 0.000 0.469 78 L N 7.556 128.551 121.223 -0.380 0.000 2.325 78 L HA 0.510 4.850 4.340 0.000 0.000 0.284 78 L C -0.222 176.308 176.870 -0.567 0.000 1.089 78 L CA 0.554 54.958 54.840 -0.728 0.000 0.836 78 L CB -0.155 41.454 42.059 -0.750 0.000 1.184 78 L HN 0.639 nan 8.230 nan 0.000 0.444 79 I N 0.975 121.118 120.570 -0.713 0.000 3.170 79 I HA 0.560 4.730 4.170 0.000 0.000 0.312 79 I C -0.954 174.668 176.117 -0.825 0.000 1.085 79 I CA -0.828 59.688 61.300 -1.305 0.000 0.999 79 I CB 2.076 39.341 38.000 -1.224 0.000 1.233 79 I HN 0.548 nan 8.210 nan 0.000 0.467 80 H N 1.499 119.915 119.070 -1.090 0.000 2.685 80 H HA 0.310 4.866 4.556 0.000 0.000 0.307 80 H C -2.165 173.019 175.328 -0.241 0.000 1.017 80 H CA -1.924 53.912 56.048 -0.354 0.000 1.237 80 H CB 1.305 31.126 29.762 0.098 0.000 1.409 80 H HN 0.441 nan 8.280 nan 0.000 0.488 81 P HA -0.190 nan 4.420 nan 0.000 0.216 81 P C 0.121 177.095 177.300 -0.543 0.000 1.150 81 P CA 1.309 64.169 63.100 -0.399 0.000 0.837 81 P CB 0.100 31.477 31.700 -0.538 0.000 0.786 82 Y N -0.396 119.736 120.300 -0.280 0.000 2.627 82 Y HA 0.474 5.024 4.550 0.000 0.000 0.339 82 Y C 1.367 176.854 175.900 -0.688 0.000 1.137 82 Y CA 0.080 57.854 58.100 -0.543 0.000 1.361 82 Y CB -0.633 37.779 38.460 -0.081 0.000 1.180 82 Y HN -0.059 nan 8.280 nan 0.000 0.512 83 G N 1.046 109.531 108.800 -0.525 0.000 2.675 83 G HA2 -0.146 3.814 3.960 0.000 0.000 0.686 83 G HA3 -0.146 3.814 3.960 0.000 0.000 0.686 83 G C -3.058 172.059 174.900 0.362 0.000 1.215 83 G CA -1.573 43.503 45.100 -0.041 0.000 0.777 83 G HN -0.006 nan 8.290 nan 0.000 0.638 84 P HA 0.162 nan 4.420 nan 0.000 0.262 84 P C -0.525 176.993 177.300 0.364 0.000 1.199 84 P CA 0.563 63.919 63.100 0.426 0.000 0.763 84 P CB 0.189 31.924 31.700 0.059 0.000 0.790 85 H N 3.057 122.489 119.070 0.602 0.000 2.595 85 H HA 0.441 4.997 4.556 0.000 0.000 0.313 85 H C -0.033 175.581 175.328 0.477 0.000 1.023 85 H CA -0.399 55.838 56.048 0.315 0.000 1.218 85 H CB 0.329 30.057 29.762 -0.057 0.000 1.403 85 H HN 0.263 nan 8.280 nan 0.000 0.477 86 I N 3.829 124.663 120.570 0.440 0.000 2.312 86 I HA 0.105 4.275 4.170 0.000 0.000 0.290 86 I C -0.320 176.098 176.117 0.502 0.000 1.008 86 I CA -0.471 61.115 61.300 0.477 0.000 1.226 86 I CB 0.387 38.582 38.000 0.324 0.000 1.371 86 I HN 0.432 nan 8.210 nan 0.000 0.468 87 F N 7.672 127.893 119.950 0.452 0.000 2.456 87 F HA 0.437 4.965 4.527 0.000 0.000 0.358 87 F C 0.195 176.105 175.800 0.183 0.000 1.095 87 F CA 0.197 58.381 58.000 0.308 0.000 1.216 87 F CB 0.093 39.347 39.000 0.423 0.000 1.125 87 F HN 0.658 nan 8.300 nan 0.000 0.549 88 H N 1.485 119.964 119.070 -0.985 0.000 3.038 88 H HA 0.613 5.169 4.556 0.000 0.000 0.362 88 H C -1.275 173.525 175.328 -0.880 0.000 1.167 88 H CA -1.020 54.551 56.048 -0.794 0.000 1.197 88 H CB 1.790 31.083 29.762 -0.782 0.000 1.840 88 H HN 0.579 nan 8.280 nan 0.000 0.540 89 T N 0.906 115.174 114.554 -0.476 0.000 2.889 89 T HA 0.257 4.607 4.350 0.000 0.000 0.315 89 T C -0.412 174.288 174.700 0.000 0.000 1.291 89 T CA -0.779 61.154 62.100 -0.278 0.000 1.028 89 T CB 1.409 70.155 68.868 -0.203 0.000 1.235 89 T HN 0.749 nan 8.240 nan 0.000 0.491 90 N N 1.063 119.777 118.700 0.025 0.000 2.325 90 N HA 0.104 4.844 4.740 0.000 0.000 0.182 90 N C 0.292 175.926 175.510 0.208 0.000 1.088 90 N CA 0.122 53.220 53.050 0.080 0.000 0.879 90 N CB 0.688 39.186 38.487 0.018 0.000 0.983 90 N HN 0.488 nan 8.380 nan 0.000 0.471 91 S N 1.142 116.938 115.700 0.160 0.000 2.411 91 S HA 0.133 4.604 4.470 0.000 0.000 0.304 91 S C 1.296 175.929 174.600 0.055 0.000 1.098 91 S CA -0.516 57.754 58.200 0.116 0.000 1.068 91 S CB 0.751 63.985 63.200 0.057 0.000 1.032 91 S HN 0.135 nan 8.310 nan 0.000 0.511 92 K N 3.898 124.342 120.400 0.074 0.000 2.089 92 K HA -0.207 4.114 4.320 0.000 0.000 0.210 92 K C 1.043 177.613 176.600 -0.048 0.000 1.048 92 K CA 2.219 58.424 56.287 -0.137 0.000 0.926 92 K CB -0.153 32.390 32.500 0.071 0.000 0.714 92 K HN 0.623 nan 8.250 nan 0.000 0.448 93 D N 0.048 120.467 120.400 0.032 0.000 2.088 93 D HA -0.167 4.473 4.640 0.000 0.000 0.191 93 D C 1.981 178.350 176.300 0.115 0.000 0.992 93 D CA 1.679 55.718 54.000 0.065 0.000 0.831 93 D CB -0.472 40.359 40.800 0.052 0.000 0.973 93 D HN 0.040 nan 8.370 nan 0.000 0.447 94 V N 0.757 120.744 119.914 0.121 0.000 2.278 94 V HA -0.277 3.843 4.120 0.000 0.000 0.251 94 V C 2.265 178.535 176.094 0.293 0.000 1.062 94 V CA 1.763 64.188 62.300 0.208 0.000 1.038 94 V CB -0.647 31.286 31.823 0.183 0.000 0.646 94 V HN 0.165 nan 8.190 nan 0.000 0.447 95 F N 0.760 120.728 119.950 0.030 0.000 2.102 95 F HA -0.180 4.347 4.527 0.000 0.000 0.298 95 F C 2.477 178.296 175.800 0.031 0.000 1.105 95 F CA 2.153 60.126 58.000 -0.045 0.000 1.239 95 F CB -0.103 38.616 39.000 -0.469 0.000 0.991 95 F HN 0.147 nan 8.300 nan 0.000 0.474 96 E N -1.062 119.155 120.200 0.028 0.000 2.153 96 E HA -0.279 4.071 4.350 0.000 0.000 0.194 96 E C 1.876 178.473 176.600 -0.005 0.000 0.988 96 E CA 1.488 57.878 56.400 -0.016 0.000 0.811 96 E CB -0.406 29.316 29.700 0.037 0.000 0.746 96 E HN 0.653 nan 8.360 nan 0.000 0.466 97 Y N 0.705 120.998 120.300 -0.012 0.000 2.133 97 Y HA -0.215 4.336 4.550 0.000 0.000 0.287 97 Y C 1.867 177.817 175.900 0.083 0.000 1.134 97 Y CA 1.095 59.214 58.100 0.031 0.000 1.133 97 Y CB -0.200 38.313 38.460 0.088 0.000 0.987 97 Y HN -0.013 nan 8.280 nan 0.000 0.502 98 L N 0.144 121.391 121.223 0.040 0.000 2.131 98 L HA -0.185 4.155 4.340 0.000 0.000 0.210 98 L C 2.499 179.271 176.870 -0.162 0.000 1.092 98 L CA 1.795 56.646 54.840 0.019 0.000 0.759 98 L CB -1.466 40.677 42.059 0.140 0.000 0.903 98 L HN 0.232 nan 8.230 nan 0.000 0.435 99 S N -0.681 114.907 115.700 -0.188 0.000 2.420 99 S HA -0.199 4.271 4.470 0.000 0.000 0.237 99 S C 1.903 176.239 174.600 -0.441 0.000 1.023 99 S CA 0.881 58.916 58.200 -0.275 0.000 0.991 99 S CB -0.292 62.816 63.200 -0.153 0.000 0.792 99 S HN 0.449 nan 8.310 nan 0.000 0.488 100 R N -0.308 119.807 120.500 -0.641 0.000 2.241 100 R HA -0.032 4.308 4.340 0.000 0.000 0.224 100 R C 0.798 176.427 176.300 -1.118 0.000 1.101 100 R CA 1.110 56.631 56.100 -0.965 0.000 0.995 100 R CB -0.227 29.242 30.300 -1.386 0.000 0.870 100 R HN 0.493 nan 8.270 nan 0.000 0.463 101 F N -2.101 117.604 119.950 -0.409 0.000 2.784 101 F HA 0.229 4.756 4.527 0.000 0.000 0.323 101 F C 0.629 176.168 175.800 -0.436 0.000 1.085 101 F CA -0.325 57.440 58.000 -0.393 0.000 1.196 101 F CB 1.057 39.802 39.000 -0.426 0.000 1.053 101 F HN -0.251 nan 8.300 nan 0.000 0.578 102 T N 0.127 114.406 114.554 -0.458 0.000 2.932 102 T HA 0.311 4.661 4.350 0.000 0.000 0.318 102 T C -0.949 173.250 174.700 -0.835 0.000 1.265 102 T CA -0.548 61.180 62.100 -0.620 0.000 1.036 102 T CB 1.481 69.860 68.868 -0.815 0.000 1.209 102 T HN 0.033 nan 8.240 nan 0.000 0.484 103 E N 1.621 121.465 120.200 -0.593 0.000 2.369 103 E HA 0.386 4.736 4.350 0.000 0.000 0.255 103 E C -0.904 175.325 176.600 -0.617 0.000 1.172 103 E CA -0.434 55.664 56.400 -0.502 0.000 0.932 103 E CB 0.913 30.471 29.700 -0.236 0.000 1.040 103 E HN 0.512 nan 8.360 nan 0.000 0.454 104 W N 0.470 121.727 121.300 -0.072 0.000 2.689 104 W HA 0.367 5.027 4.660 0.000 0.000 0.340 104 W C -0.049 176.477 176.519 0.012 0.000 1.060 104 W CA -0.852 56.489 57.345 -0.007 0.000 1.218 104 W CB 1.172 30.717 29.460 0.141 0.000 1.410 104 W HN 0.215 nan 8.180 nan 0.000 0.528 105 R N 3.515 124.201 120.500 0.311 0.000 2.239 105 R HA 0.393 4.733 4.340 0.000 0.000 0.332 105 R C -2.581 173.898 176.300 0.299 0.000 0.988 105 R CA -1.788 54.444 56.100 0.220 0.000 0.859 105 R CB 0.845 31.214 30.300 0.115 0.000 1.148 105 R HN 0.087 nan 8.270 nan 0.000 0.482 106 P HA -0.053 nan 4.420 nan 0.000 0.263 106 P C -1.699 175.787 177.300 0.310 0.000 1.195 106 P CA 0.397 63.642 63.100 0.241 0.000 0.762 106 P CB 0.104 31.902 31.700 0.163 0.000 0.799 107 Y N 2.122 122.517 120.300 0.158 0.000 2.399 107 Y HA 0.309 4.859 4.550 0.000 0.000 0.327 107 Y C -1.302 174.708 175.900 0.183 0.000 1.111 107 Y CA -0.632 57.571 58.100 0.172 0.000 1.047 107 Y CB 1.848 40.434 38.460 0.210 0.000 1.259 107 Y HN 0.296 nan 8.280 nan 0.000 0.434 108 Q N 5.030 124.532 119.800 -0.497 0.000 2.381 108 Q HA 0.211 4.551 4.340 0.000 0.000 0.263 108 Q C -1.226 174.360 176.000 -0.691 0.000 1.030 108 Q CA -0.993 54.555 55.803 -0.425 0.000 0.772 108 Q CB 1.056 29.690 28.738 -0.173 0.000 1.232 108 Q HN 0.641 nan 8.270 nan 0.000 0.476 109 H N 2.582 121.242 119.070 -0.684 0.000 3.125 109 H HA 0.028 4.584 4.556 0.000 0.000 0.310 109 H C -0.626 174.563 175.328 -0.232 0.000 0.980 109 H CA 0.955 56.785 56.048 -0.365 0.000 1.422 109 H CB 0.340 30.112 29.762 0.017 0.000 1.432 109 H HN 0.381 nan 8.280 nan 0.000 0.577 110 R N 3.651 123.875 120.500 -0.460 0.000 2.437 110 R HA 0.461 4.801 4.340 0.000 0.000 0.310 110 R C -1.089 174.893 176.300 -0.530 0.000 0.955 110 R CA -0.891 54.976 56.100 -0.388 0.000 0.851 110 R CB 1.785 31.950 30.300 -0.224 0.000 1.161 110 R HN 0.304 nan 8.270 nan 0.000 0.446 111 V N 4.240 123.914 119.914 -0.400 0.000 2.667 111 V HA 0.471 4.592 4.120 0.000 0.000 0.308 111 V C -0.832 175.135 176.094 -0.212 0.000 1.048 111 V CA -0.889 61.194 62.300 -0.362 0.000 0.928 111 V CB 1.958 33.539 31.823 -0.403 0.000 1.004 111 V HN 0.433 nan 8.190 nan 0.000 0.444 112 L N 3.243 124.338 121.223 -0.213 0.000 2.381 112 L HA 0.773 5.113 4.340 0.000 0.000 0.274 112 L C 0.168 176.938 176.870 -0.167 0.000 0.988 112 L CA -0.563 54.178 54.840 -0.165 0.000 0.824 112 L CB 1.434 43.389 42.059 -0.174 0.000 1.263 112 L HN 0.787 nan 8.230 nan 0.000 0.410 113 A N 2.218 124.984 122.820 -0.089 0.000 2.301 113 A HA 0.566 4.887 4.320 0.000 0.000 0.298 113 A C 0.152 177.640 177.584 -0.160 0.000 1.185 113 A CA -0.276 51.701 52.037 -0.100 0.000 0.830 113 A CB 0.580 19.631 19.000 0.086 0.000 1.112 113 A HN 0.632 nan 8.150 nan 0.000 0.508 114 S N 2.066 117.597 115.700 -0.282 0.000 2.485 114 S HA 0.459 4.929 4.470 0.000 0.000 0.312 114 S C -0.570 173.924 174.600 -0.177 0.000 1.102 114 S CA -0.264 57.800 58.200 -0.227 0.000 1.066 114 S CB -0.726 62.282 63.200 -0.321 0.000 1.102 114 S HN 0.601 nan 8.310 nan 0.000 0.519 115 V N 4.950 124.750 119.914 -0.190 0.000 2.577 115 V HA 0.355 4.475 4.120 0.000 0.000 0.303 115 V C -0.458 175.543 176.094 -0.154 0.000 1.042 115 V CA -0.877 61.263 62.300 -0.268 0.000 0.872 115 V CB 1.817 33.297 31.823 -0.571 0.000 0.998 115 V HN 0.822 nan 8.190 nan 0.000 0.423 116 D N 3.815 124.144 120.400 -0.118 0.000 2.701 116 D HA -0.186 4.455 4.640 0.000 0.000 0.235 116 D C 1.328 177.606 176.300 -0.037 0.000 1.155 116 D CA 1.868 55.830 54.000 -0.062 0.000 0.649 116 D CB -1.087 39.682 40.800 -0.051 0.000 1.050 116 D HN 1.520 nan 8.370 nan 0.000 0.425 117 G N -0.614 108.170 108.800 -0.026 0.000 2.168 117 G HA2 -0.356 3.604 3.960 0.000 0.000 0.257 117 G HA3 -0.356 3.604 3.960 0.000 0.000 0.257 117 G C 0.173 175.068 174.900 -0.009 0.000 0.997 117 G CA 0.845 45.944 45.100 -0.002 0.000 0.708 117 G HN 0.543 nan 8.290 nan 0.000 0.520 118 Q N -1.226 118.556 119.800 -0.030 0.000 2.399 118 Q HA 0.705 5.045 4.340 0.000 0.000 0.276 118 Q C -0.006 175.965 176.000 -0.048 0.000 1.098 118 Q CA -0.985 54.799 55.803 -0.032 0.000 0.827 118 Q CB 1.852 30.571 28.738 -0.032 0.000 1.386 118 Q HN 0.240 nan 8.270 nan 0.000 0.443 119 L N 2.816 124.010 121.223 -0.047 0.000 2.288 119 L HA 0.317 4.658 4.340 0.000 0.000 0.283 119 L C -1.147 175.693 176.870 -0.050 0.000 1.072 119 L CA -0.508 54.292 54.840 -0.068 0.000 0.862 119 L CB 0.129 42.143 42.059 -0.075 0.000 1.245 119 L HN 0.251 nan 8.230 nan 0.000 0.432 120 L N 5.641 126.852 121.223 -0.020 0.000 2.334 120 L HA 0.573 4.913 4.340 0.000 0.000 0.276 120 L C -2.134 174.726 176.870 -0.016 0.000 1.014 120 L CA -2.471 52.376 54.840 0.011 0.000 0.815 120 L CB 1.373 43.507 42.059 0.126 0.000 1.268 120 L HN 0.196 nan 8.230 nan 0.000 0.428 121 P HA 0.076 nan 4.420 nan 0.000 0.260 121 P C -0.793 176.415 177.300 -0.152 0.000 1.185 121 P CA 0.246 63.280 63.100 -0.110 0.000 0.763 121 P CB 0.325 31.953 31.700 -0.119 0.000 0.776 122 I N 6.102 126.589 120.570 -0.137 0.000 2.498 122 I HA 0.497 4.668 4.170 0.000 0.000 0.290 122 I C -2.621 173.399 176.117 -0.162 0.000 1.032 122 I CA -3.731 57.461 61.300 -0.181 0.000 1.073 122 I CB 1.681 39.611 38.000 -0.118 0.000 1.251 122 I HN 0.159 nan 8.210 nan 0.000 0.426 123 P HA 0.109 nan 4.420 nan 0.000 0.266 123 P C -0.506 176.635 177.300 -0.265 0.000 1.186 123 P CA 0.222 63.149 63.100 -0.287 0.000 0.767 123 P CB 0.253 31.773 31.700 -0.300 0.000 0.820 124 I N 2.659 123.055 120.570 -0.290 0.000 2.668 124 I HA -0.014 4.157 4.170 0.000 0.000 0.285 124 I C 1.204 177.234 176.117 -0.144 0.000 1.168 124 I CA 0.626 61.742 61.300 -0.307 0.000 1.424 124 I CB -0.191 37.625 38.000 -0.307 0.000 1.377 124 I HN 0.513 nan 8.210 nan 0.000 0.560 125 N N 5.843 124.479 118.700 -0.108 0.000 3.283 125 N HA 0.283 5.024 4.740 0.000 0.000 0.338 125 N C 0.465 175.971 175.510 -0.007 0.000 1.517 125 N CA -0.870 52.161 53.050 -0.032 0.000 0.733 125 N CB 0.380 38.820 38.487 -0.079 0.000 1.797 125 N HN 0.434 nan 8.380 nan 0.000 0.637 126 L N -0.228 120.977 121.223 -0.029 0.000 2.013 126 L HA -0.180 4.160 4.340 0.000 0.000 0.212 126 L C 0.661 177.472 176.870 -0.097 0.000 1.073 126 L CA 2.187 56.983 54.840 -0.074 0.000 0.753 126 L CB -0.483 41.520 42.059 -0.094 0.000 0.890 126 L HN 0.541 nan 8.230 nan 0.000 0.432 127 D N -1.018 119.327 120.400 -0.091 0.000 2.219 127 D HA -0.133 4.507 4.640 0.000 0.000 0.205 127 D C 1.970 178.210 176.300 -0.100 0.000 0.970 127 D CA 1.628 55.573 54.000 -0.092 0.000 0.851 127 D CB 0.050 40.800 40.800 -0.083 0.000 0.943 127 D HN 0.433 nan 8.370 nan 0.000 0.488 128 T N 0.828 115.314 114.554 -0.112 0.000 2.708 128 T HA -0.092 4.258 4.350 0.000 0.000 0.266 128 T C 2.372 176.983 174.700 -0.149 0.000 1.037 128 T CA 0.746 62.767 62.100 -0.133 0.000 1.146 128 T CB -0.398 68.329 68.868 -0.235 0.000 0.865 128 T HN -0.022 nan 8.240 nan 0.000 0.435 129 V N 2.547 122.378 119.914 -0.139 0.000 2.261 129 V HA -0.176 3.944 4.120 0.000 0.000 0.246 129 V C 2.519 178.486 176.094 -0.212 0.000 1.047 129 V CA 1.588 63.776 62.300 -0.188 0.000 1.015 129 V CB -0.677 31.022 31.823 -0.207 0.000 0.642 129 V HN 0.412 nan 8.190 nan 0.000 0.446 130 N N 0.285 118.883 118.700 -0.170 0.000 2.120 130 N HA -0.133 4.607 4.740 0.000 0.000 0.188 130 N C 1.979 177.431 175.510 -0.097 0.000 1.024 130 N CA 1.399 54.371 53.050 -0.130 0.000 0.852 130 N CB -0.331 38.089 38.487 -0.112 0.000 1.003 130 N HN 0.479 nan 8.380 nan 0.000 0.424 131 R N -0.084 120.355 120.500 -0.101 0.000 2.153 131 R HA 0.041 4.382 4.340 0.000 0.000 0.218 131 R C 1.903 178.152 176.300 -0.086 0.000 1.072 131 R CA 0.306 56.361 56.100 -0.075 0.000 0.990 131 R CB -0.206 30.056 30.300 -0.064 0.000 0.889 131 R HN 0.112 nan 8.270 nan 0.000 0.452 132 L N -0.590 120.535 121.223 -0.165 0.000 2.072 132 L HA -0.098 4.242 4.340 0.000 0.000 0.205 132 L C 1.081 177.849 176.870 -0.169 0.000 1.079 132 L CA 1.786 56.481 54.840 -0.241 0.000 0.752 132 L CB -0.042 41.729 42.059 -0.481 0.000 0.906 132 L HN 0.073 nan 8.230 nan 0.000 0.436 133 Y N -0.464 119.827 120.300 -0.015 0.000 2.467 133 Y HA 0.478 5.029 4.550 0.000 0.000 0.250 133 Y C 1.696 177.571 175.900 -0.042 0.000 1.155 133 Y CA -0.468 57.618 58.100 -0.024 0.000 1.249 133 Y CB -0.252 38.172 38.460 -0.059 0.000 1.146 133 Y HN 0.171 nan 8.280 nan 0.000 0.524 134 G N 1.107 109.951 108.800 0.073 0.000 2.198 134 G HA2 -0.268 3.692 3.960 0.000 0.000 0.257 134 G HA3 -0.268 3.692 3.960 0.000 0.000 0.257 134 G C -0.007 174.896 174.900 0.005 0.000 1.042 134 G CA 0.229 45.345 45.100 0.027 0.000 0.791 134 G HN 0.262 nan 8.290 nan 0.000 0.502 135 L N -0.819 120.394 121.223 -0.016 0.000 2.448 135 L HA 0.509 4.849 4.340 0.000 0.000 0.258 135 L C 0.913 177.740 176.870 -0.071 0.000 1.104 135 L CA -0.932 53.870 54.840 -0.063 0.000 0.800 135 L CB 0.662 42.637 42.059 -0.140 0.000 1.241 135 L HN 0.064 nan 8.230 nan 0.000 0.472 136 N N 1.182 119.837 118.700 -0.075 0.000 2.517 136 N HA 0.274 5.014 4.740 0.000 0.000 0.285 136 N C -0.641 174.827 175.510 -0.072 0.000 1.528 136 N CA -0.123 52.888 53.050 -0.065 0.000 0.892 136 N CB 0.727 39.190 38.487 -0.041 0.000 1.356 136 N HN 0.397 nan 8.380 nan 0.000 0.495 137 L N 1.301 122.459 121.223 -0.108 0.000 2.506 137 L HA 0.050 4.391 4.340 0.000 0.000 0.281 137 L C 1.576 178.397 176.870 -0.081 0.000 1.228 137 L CA 0.345 55.124 54.840 -0.101 0.000 0.850 137 L CB -0.055 41.903 42.059 -0.168 0.000 1.110 137 L HN 0.150 nan 8.230 nan 0.000 0.496 138 T N -1.647 112.882 114.554 -0.042 0.000 2.824 138 T HA 0.168 4.518 4.350 0.000 0.000 0.277 138 T C 1.136 175.769 174.700 -0.110 0.000 0.975 138 T CA -0.548 61.525 62.100 -0.045 0.000 0.966 138 T CB 1.371 70.275 68.868 0.060 0.000 1.054 138 T HN 0.541 nan 8.240 nan 0.000 0.533 139 S N 0.011 115.565 115.700 -0.244 0.000 2.399 139 S HA -0.025 4.445 4.470 0.000 0.000 0.231 139 S C 1.454 175.882 174.600 -0.287 0.000 1.022 139 S CA 1.050 59.053 58.200 -0.329 0.000 0.983 139 S CB -0.695 62.203 63.200 -0.503 0.000 0.803 139 S HN 0.650 nan 8.310 nan 0.000 0.480 140 F N 1.634 121.577 119.950 -0.013 0.000 2.234 140 F HA -0.001 4.526 4.527 0.000 0.000 0.299 140 F C 2.518 178.314 175.800 -0.007 0.000 1.087 140 F CA 0.630 58.627 58.000 -0.005 0.000 1.340 140 F CB -0.614 38.382 39.000 -0.007 0.000 1.031 140 F HN 0.193 nan 8.300 nan 0.000 0.500 141 Q N -0.713 119.160 119.800 0.121 0.000 2.331 141 Q HA -0.054 4.287 4.340 0.000 0.000 0.203 141 Q C 2.356 178.362 176.000 0.010 0.000 0.944 141 Q CA 0.599 56.438 55.803 0.060 0.000 0.892 141 Q CB -0.060 28.694 28.738 0.028 0.000 0.983 141 Q HN 0.318 nan 8.270 nan 0.000 0.482 142 V N 0.544 120.426 119.914 -0.054 0.000 2.788 142 V HA -0.178 3.942 4.120 0.000 0.000 0.251 142 V C 1.979 177.989 176.094 -0.139 0.000 1.068 142 V CA 1.557 63.750 62.300 -0.178 0.000 1.090 142 V CB 0.076 31.742 31.823 -0.262 0.000 0.710 142 V HN 0.361 nan 8.190 nan 0.000 0.467 143 E N -0.060 120.164 120.200 0.040 0.000 2.110 143 E HA -0.248 4.102 4.350 0.000 0.000 0.193 143 E C 2.021 178.699 176.600 0.130 0.000 0.988 143 E CA 1.664 58.162 56.400 0.162 0.000 0.804 143 E CB -0.036 29.750 29.700 0.142 0.000 0.745 143 E HN 0.776 nan 8.360 nan 0.000 0.458 144 E N -0.225 120.025 120.200 0.083 0.000 2.107 144 E HA -0.161 4.190 4.350 0.000 0.000 0.191 144 E C 1.901 178.535 176.600 0.056 0.000 0.982 144 E CA 0.700 57.141 56.400 0.069 0.000 0.809 144 E CB -0.256 29.482 29.700 0.064 0.000 0.756 144 E HN 0.297 nan 8.360 nan 0.000 0.459 145 F N 1.406 121.287 119.950 -0.114 0.000 2.102 145 F HA -0.213 4.314 4.527 0.000 0.000 0.298 145 F C 1.832 177.585 175.800 -0.077 0.000 1.105 145 F CA 1.290 59.198 58.000 -0.154 0.000 1.239 145 F CB -0.179 38.655 39.000 -0.276 0.000 0.991 145 F HN -0.151 nan 8.300 nan 0.000 0.474 146 F N 1.009 120.966 119.950 0.012 0.000 2.069 146 F HA -0.172 4.355 4.527 0.000 0.000 0.298 146 F C 2.733 178.449 175.800 -0.140 0.000 1.113 146 F CA 1.202 59.150 58.000 -0.086 0.000 1.214 146 F CB -1.770 37.248 39.000 0.029 0.000 0.978 146 F HN 0.091 nan 8.300 nan 0.000 0.474 147 A N -0.128 122.762 122.820 0.118 0.000 1.892 147 A HA -0.286 4.034 4.320 0.000 0.000 0.218 147 A C 2.470 180.027 177.584 -0.045 0.000 1.188 147 A CA 2.714 54.768 52.037 0.028 0.000 0.631 147 A CB -1.444 17.577 19.000 0.036 0.000 0.822 147 A HN 0.440 nan 8.150 nan 0.000 0.447 148 S N -0.153 115.489 115.700 -0.096 0.000 2.365 148 S HA -0.172 4.298 4.470 0.000 0.000 0.225 148 S C 1.639 176.136 174.600 -0.172 0.000 1.039 148 S CA 2.413 60.533 58.200 -0.134 0.000 1.033 148 S CB -0.960 62.147 63.200 -0.155 0.000 0.887 148 S HN 1.269 nan 8.310 nan 0.000 0.447 149 V N -1.237 118.514 119.914 -0.271 0.000 3.542 149 V HA 0.727 4.847 4.120 0.000 0.000 0.296 149 V C 0.867 176.892 176.094 -0.116 0.000 1.364 149 V CA -0.333 61.835 62.300 -0.220 0.000 1.118 149 V CB -1.102 30.517 31.823 -0.341 0.000 0.972 149 V HN 0.669 nan 8.190 nan 0.000 0.430 150 A N 0.731 123.500 122.820 -0.084 0.000 2.366 150 A HA 0.501 4.821 4.320 0.000 0.000 0.250 150 A C 0.211 177.761 177.584 -0.057 0.000 1.099 150 A CA -0.135 51.871 52.037 -0.051 0.000 0.794 150 A CB 0.126 19.105 19.000 -0.034 0.000 1.056 150 A HN 0.636 nan 8.150 nan 0.000 0.499 151 E N 0.187 120.349 120.200 -0.064 0.000 2.155 151 E HA 0.252 4.602 4.350 0.000 0.000 0.264 151 E C -0.870 175.689 176.600 -0.068 0.000 0.886 151 E CA -0.585 55.775 56.400 -0.065 0.000 0.752 151 E CB 1.538 31.193 29.700 -0.076 0.000 1.133 151 E HN 0.558 nan 8.360 nan 0.000 0.414 152 K N 2.501 122.868 120.400 -0.056 0.000 2.416 152 K HA 0.180 4.500 4.320 0.000 0.000 0.283 152 K C -0.906 175.659 176.600 -0.058 0.000 1.037 152 K CA -0.122 56.134 56.287 -0.053 0.000 0.995 152 K CB 0.537 33.012 32.500 -0.041 0.000 0.938 152 K HN 0.178 nan 8.250 nan 0.000 0.475 153 V N 4.486 124.362 119.914 -0.063 0.000 2.604 153 V HA 0.136 4.256 4.120 0.000 0.000 0.305 153 V C 0.700 176.763 176.094 -0.052 0.000 1.043 153 V CA -0.780 61.483 62.300 -0.063 0.000 0.888 153 V CB 1.605 33.380 31.823 -0.079 0.000 0.995 153 V HN 0.860 nan 8.190 nan 0.000 0.429 154 E N 1.510 121.683 120.200 -0.044 0.000 2.016 154 E HA -0.032 4.318 4.350 0.000 0.000 0.190 154 E C 0.600 177.177 176.600 -0.038 0.000 0.985 154 E CA 1.072 57.449 56.400 -0.037 0.000 0.802 154 E CB 0.222 29.903 29.700 -0.031 0.000 0.762 154 E HN 0.601 nan 8.360 nan 0.000 0.448 155 Q N 0.811 120.587 119.800 -0.040 0.000 2.322 155 Q HA 0.305 4.645 4.340 0.000 0.000 0.265 155 Q C -1.170 174.800 176.000 -0.049 0.000 0.985 155 Q CA -0.421 55.358 55.803 -0.040 0.000 0.849 155 Q CB 2.450 31.169 28.738 -0.033 0.000 1.274 155 Q HN -0.064 nan 8.270 nan 0.000 0.449 156 V N 5.574 125.456 119.914 -0.053 0.000 2.353 156 V HA 0.131 4.251 4.120 0.000 0.000 0.264 156 V C 0.762 176.821 176.094 -0.059 0.000 1.049 156 V CA 0.327 62.588 62.300 -0.065 0.000 0.896 156 V CB 0.513 32.292 31.823 -0.073 0.000 1.025 156 V HN 0.730 nan 8.190 nan 0.000 0.475 157 R N 2.635 123.099 120.500 -0.060 0.000 2.164 157 R HA 0.196 4.536 4.340 0.000 0.000 0.198 157 R C 0.935 177.200 176.300 -0.059 0.000 1.028 157 R CA 0.366 56.436 56.100 -0.051 0.000 1.083 157 R CB -0.100 30.174 30.300 -0.042 0.000 1.026 157 R HN 0.659 nan 8.270 nan 0.000 0.514 158 T N -2.390 112.122 114.554 -0.070 0.000 2.948 158 T HA 0.307 4.657 4.350 0.000 0.000 0.285 158 T C 0.889 175.536 174.700 -0.089 0.000 1.019 158 T CA -0.764 61.291 62.100 -0.074 0.000 1.013 158 T CB 1.898 70.727 68.868 -0.064 0.000 1.117 158 T HN -0.111 nan 8.240 nan 0.000 0.533 159 S N -0.549 115.103 115.700 -0.081 0.000 2.481 159 S HA -0.037 4.434 4.470 0.000 0.000 0.231 159 S C 1.720 176.281 174.600 -0.065 0.000 0.996 159 S CA 0.889 59.044 58.200 -0.074 0.000 0.942 159 S CB -0.475 62.694 63.200 -0.051 0.000 0.768 159 S HN 0.845 nan 8.310 nan 0.000 0.520 160 E N 1.195 121.349 120.200 -0.078 0.000 2.033 160 E HA -0.154 4.196 4.350 0.000 0.000 0.189 160 E C 1.084 177.487 176.600 -0.327 0.000 0.979 160 E CA 1.273 57.536 56.400 -0.228 0.000 0.802 160 E CB -0.060 29.514 29.700 -0.209 0.000 0.763 160 E HN 0.302 nan 8.360 nan 0.000 0.449 161 D N 0.734 121.005 120.400 -0.216 0.000 2.106 161 D HA -0.181 4.460 4.640 0.000 0.000 0.191 161 D C 2.132 178.314 176.300 -0.196 0.000 0.997 161 D CA 1.218 55.103 54.000 -0.191 0.000 0.834 161 D CB -0.612 40.109 40.800 -0.132 0.000 0.956 161 D HN 0.098 nan 8.370 nan 0.000 0.448 162 V N 0.576 120.382 119.914 -0.181 0.000 2.317 162 V HA -0.249 3.871 4.120 0.000 0.000 0.251 162 V C 2.456 178.402 176.094 -0.247 0.000 1.065 162 V CA 1.382 63.569 62.300 -0.189 0.000 1.049 162 V CB -0.285 31.433 31.823 -0.176 0.000 0.651 162 V HN 0.084 nan 8.190 nan 0.000 0.450 163 V N -1.234 118.497 119.914 -0.305 0.000 2.374 163 V HA -0.078 4.042 4.120 0.000 0.000 0.241 163 V C 2.269 178.214 176.094 -0.248 0.000 1.034 163 V CA 1.305 63.395 62.300 -0.351 0.000 1.037 163 V CB 0.029 31.565 31.823 -0.479 0.000 0.682 163 V HN 0.362 nan 8.190 nan 0.000 0.463 164 V N 1.591 121.316 119.914 -0.315 0.000 2.469 164 V HA -0.248 3.872 4.120 0.000 0.000 0.251 164 V C 2.756 178.751 176.094 -0.166 0.000 1.064 164 V CA 2.319 64.469 62.300 -0.251 0.000 1.066 164 V CB -1.058 30.557 31.823 -0.346 0.000 0.667 164 V HN 0.745 nan 8.190 nan 0.000 0.461 165 S N -0.002 115.594 115.700 -0.173 0.000 2.423 165 S HA -0.173 4.298 4.470 0.000 0.000 0.231 165 S C 1.819 176.347 174.600 -0.120 0.000 1.014 165 S CA 1.322 59.443 58.200 -0.131 0.000 0.965 165 S CB -0.209 62.915 63.200 -0.126 0.000 0.785 165 S HN 0.707 nan 8.310 nan 0.000 0.495 166 K N 0.499 120.805 120.400 -0.157 0.000 2.240 166 K HA 0.225 4.545 4.320 0.000 0.000 0.202 166 K C 1.980 178.455 176.600 -0.207 0.000 1.053 166 K CA 1.054 57.230 56.287 -0.185 0.000 0.973 166 K CB 0.110 32.462 32.500 -0.246 0.000 0.924 166 K HN 0.407 nan 8.250 nan 0.000 0.477 167 V N -2.417 117.387 119.914 -0.183 0.000 3.645 167 V HA 0.433 4.553 4.120 0.000 0.000 0.275 167 V C 0.466 176.621 176.094 0.101 0.000 1.356 167 V CA 0.311 62.554 62.300 -0.095 0.000 1.051 167 V CB 0.024 31.753 31.823 -0.158 0.000 0.828 167 V HN 0.380 nan 8.190 nan 0.000 0.441 168 G N 1.183 110.004 108.800 0.035 0.000 2.661 168 G HA2 -0.168 3.792 3.960 0.000 0.000 0.685 168 G HA3 -0.168 3.792 3.960 0.000 0.000 0.685 168 G C -0.009 174.960 174.900 0.115 0.000 1.298 168 G CA 0.224 45.353 45.100 0.048 0.000 0.855 168 G HN 0.631 nan 8.290 nan 0.000 0.560 169 R N -0.026 120.534 120.500 0.100 0.000 2.073 169 R HA 0.040 4.380 4.340 0.000 0.000 0.229 169 R C 2.118 178.574 176.300 0.260 0.000 1.120 169 R CA 2.340 58.537 56.100 0.162 0.000 0.967 169 R CB -0.703 29.652 30.300 0.092 0.000 0.862 169 R HN 0.620 nan 8.270 nan 0.000 0.436 170 D N -0.132 120.399 120.400 0.219 0.000 2.084 170 D HA -0.140 4.500 4.640 0.000 0.000 0.194 170 D C 1.866 178.367 176.300 0.335 0.000 0.990 170 D CA 1.549 55.702 54.000 0.256 0.000 0.826 170 D CB -0.106 40.847 40.800 0.255 0.000 0.971 170 D HN 0.277 nan 8.370 nan 0.000 0.453 171 L N -0.420 121.043 121.223 0.400 0.000 2.079 171 L HA -0.195 4.145 4.340 0.000 0.000 0.210 171 L C 2.372 179.546 176.870 0.506 0.000 1.081 171 L CA 1.238 56.366 54.840 0.479 0.000 0.752 171 L CB -0.640 41.691 42.059 0.454 0.000 0.896 171 L HN 0.243 nan 8.230 nan 0.000 0.433 172 Y N 1.064 121.542 120.300 0.298 0.000 2.274 172 Y HA -0.211 4.339 4.550 0.000 0.000 0.290 172 Y C 2.394 178.470 175.900 0.293 0.000 1.145 172 Y CA 1.511 59.793 58.100 0.304 0.000 1.203 172 Y CB -0.205 38.334 38.460 0.132 0.000 0.984 172 Y HN 0.208 nan 8.280 nan 0.000 0.533 173 N N 0.401 119.191 118.700 0.151 0.000 2.270 173 N HA -0.110 4.630 4.740 0.000 0.000 0.181 173 N C 1.490 176.983 175.510 -0.029 0.000 1.016 173 N CA 1.315 54.364 53.050 -0.003 0.000 0.870 173 N CB -0.131 38.420 38.487 0.107 0.000 0.979 173 N HN 0.483 nan 8.380 nan 0.000 0.431 174 K N -0.665 119.757 120.400 0.037 0.000 2.186 174 K HA 0.088 4.409 4.320 0.000 0.000 0.202 174 K C 1.001 177.358 176.600 -0.405 0.000 1.052 174 K CA 0.691 56.877 56.287 -0.168 0.000 0.965 174 K CB 0.122 32.522 32.500 -0.167 0.000 0.746 174 K HN 0.131 nan 8.250 nan 0.000 0.457 175 F N -1.613 118.305 119.950 -0.053 0.000 2.680 175 F HA 0.190 4.717 4.527 0.000 0.000 0.290 175 F C 1.419 176.961 175.800 -0.430 0.000 1.114 175 F CA 0.112 57.965 58.000 -0.245 0.000 1.333 175 F CB 0.361 39.176 39.000 -0.308 0.000 1.091 175 F HN -0.142 nan 8.300 nan 0.000 0.606 176 F N -1.054 118.896 119.950 -0.000 0.000 2.557 176 F HA 0.257 4.784 4.527 0.000 0.000 0.278 176 F C 2.333 178.023 175.800 -0.184 0.000 1.051 176 F CA 0.058 58.015 58.000 -0.071 0.000 1.357 176 F CB -0.376 38.606 39.000 -0.031 0.000 1.104 176 F HN -0.387 nan 8.300 nan 0.000 0.654 177 R N 0.730 121.036 120.500 -0.323 0.000 2.082 177 R HA -0.118 4.222 4.340 0.000 0.000 0.234 177 R C 2.341 178.623 176.300 -0.030 0.000 1.136 177 R CA 1.875 57.790 56.100 -0.308 0.000 0.935 177 R CB -1.009 29.054 30.300 -0.395 0.000 0.842 177 R HN 0.387 nan 8.270 nan 0.000 0.430 178 G N -0.808 107.980 108.800 -0.020 0.000 2.403 178 G HA2 -0.302 3.659 3.960 0.000 0.000 0.216 178 G HA3 -0.302 3.659 3.960 0.000 0.000 0.216 178 G C 1.305 176.242 174.900 0.063 0.000 1.154 178 G CA 0.583 45.692 45.100 0.016 0.000 0.784 178 G HN 0.457 nan 8.290 nan 0.000 0.538 179 Y N 1.784 122.073 120.300 -0.019 0.000 2.089 179 Y HA -0.188 4.363 4.550 0.000 0.000 0.282 179 Y C 3.184 179.133 175.900 0.082 0.000 1.139 179 Y CA 2.425 60.531 58.100 0.010 0.000 1.123 179 Y CB -0.352 38.089 38.460 -0.031 0.000 0.980 179 Y HN 0.197 nan 8.280 nan 0.000 0.493 180 T N 0.851 115.656 114.554 0.417 0.000 2.720 180 T HA -0.213 4.137 4.350 0.000 0.000 0.268 180 T C 1.862 176.757 174.700 0.324 0.000 1.037 180 T CA 1.817 64.190 62.100 0.455 0.000 1.144 180 T CB -0.265 68.844 68.868 0.403 0.000 0.864 180 T HN 0.346 nan 8.240 nan 0.000 0.444 181 R N 0.750 121.362 120.500 0.186 0.000 2.073 181 R HA -0.070 4.271 4.340 0.000 0.000 0.234 181 R C 2.590 178.938 176.300 0.080 0.000 1.134 181 R CA 1.551 57.731 56.100 0.134 0.000 0.952 181 R CB -0.240 30.110 30.300 0.083 0.000 0.850 181 R HN 0.339 nan 8.270 nan 0.000 0.433 182 K N 0.943 121.344 120.400 0.002 0.000 2.057 182 K HA -0.261 4.060 4.320 0.000 0.000 0.207 182 K C 2.235 178.763 176.600 -0.120 0.000 1.049 182 K CA 1.812 58.055 56.287 -0.074 0.000 0.931 182 K CB 0.007 32.417 32.500 -0.149 0.000 0.714 182 K HN -0.014 nan 8.250 nan 0.000 0.440 183 Q N -0.745 118.941 119.800 -0.189 0.000 2.046 183 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 183 Q C 1.168 176.954 176.000 -0.356 0.000 0.975 183 Q CA 2.085 57.679 55.803 -0.348 0.000 0.836 183 Q CB -0.123 28.359 28.738 -0.425 0.000 0.896 183 Q HN 0.497 nan 8.270 nan 0.000 0.428 184 W N -1.672 119.616 121.300 -0.021 0.000 2.915 184 W HA 0.397 5.058 4.660 0.000 0.000 0.276 184 W C 1.235 177.775 176.519 0.036 0.000 1.215 184 W CA 0.304 57.657 57.345 0.014 0.000 1.514 184 W CB 0.573 30.054 29.460 0.035 0.000 1.017 184 W HN 0.327 nan 8.180 nan 0.000 0.598 185 G N 0.832 109.762 108.800 0.217 0.000 2.184 185 G HA2 -0.296 3.664 3.960 0.000 0.000 0.264 185 G HA3 -0.296 3.664 3.960 0.000 0.000 0.264 185 G C -0.147 174.849 174.900 0.161 0.000 0.975 185 G CA 0.360 45.552 45.100 0.153 0.000 0.642 185 G HN 0.171 nan 8.290 nan 0.000 0.536 186 L N -0.061 121.287 121.223 0.208 0.000 2.370 186 L HA 0.559 4.900 4.340 0.000 0.000 0.266 186 L C 0.080 177.035 176.870 0.142 0.000 1.002 186 L CA -1.202 53.727 54.840 0.149 0.000 0.818 186 L CB 1.774 43.907 42.059 0.124 0.000 1.325 186 L HN 0.129 nan 8.230 nan 0.000 0.418 187 D N 2.267 122.732 120.400 0.109 0.000 2.400 187 D HA 0.068 4.709 4.640 0.000 0.000 0.238 187 D C -1.718 174.648 176.300 0.110 0.000 1.157 187 D CA -0.857 53.215 54.000 0.120 0.000 0.889 187 D CB 1.178 42.043 40.800 0.108 0.000 1.199 187 D HN 0.240 nan 8.370 nan 0.000 0.436 188 P HA -0.108 nan 4.420 nan 0.000 0.228 188 P C 0.832 178.168 177.300 0.060 0.000 1.151 188 P CA 0.841 64.020 63.100 0.132 0.000 0.770 188 P CB 0.013 31.895 31.700 0.302 0.000 0.786 189 S N -0.288 115.451 115.700 0.066 0.000 2.377 189 S HA -0.087 4.383 4.470 0.000 0.000 0.223 189 S C 1.528 176.126 174.600 -0.002 0.000 1.030 189 S CA 0.711 58.920 58.200 0.016 0.000 0.970 189 S CB -1.076 62.138 63.200 0.024 0.000 0.830 189 S HN 0.157 nan 8.310 nan 0.000 0.473 190 E N 1.016 121.222 120.200 0.011 0.000 2.335 190 E HA 0.337 4.687 4.350 0.000 0.000 0.191 190 E C -0.668 175.907 176.600 -0.041 0.000 1.150 190 E CA -0.030 56.369 56.400 -0.000 0.000 1.001 190 E CB -0.208 29.508 29.700 0.026 0.000 1.127 190 E HN 0.512 nan 8.360 nan 0.000 0.462 191 L N -0.203 120.975 121.223 -0.075 0.000 2.434 191 L HA 0.308 4.648 4.340 0.000 0.000 0.260 191 L C -0.439 176.350 176.870 -0.135 0.000 0.983 191 L CA -1.175 53.569 54.840 -0.161 0.000 0.820 191 L CB 2.271 44.157 42.059 -0.288 0.000 1.361 191 L HN -0.095 nan 8.230 nan 0.000 0.410 192 D N 0.708 121.018 120.400 -0.150 0.000 2.399 192 D HA 0.231 4.872 4.640 0.000 0.000 0.241 192 D C 0.968 177.207 176.300 -0.102 0.000 1.133 192 D CA 0.552 54.491 54.000 -0.102 0.000 0.890 192 D CB 1.725 42.476 40.800 -0.082 0.000 1.201 192 D HN 0.610 nan 8.370 nan 0.000 0.432 193 A N 2.160 124.932 122.820 -0.080 0.000 2.076 193 A HA -0.169 4.151 4.320 0.000 0.000 0.220 193 A C 2.057 179.597 177.584 -0.073 0.000 1.160 193 A CA 1.842 53.830 52.037 -0.082 0.000 0.653 193 A CB -0.823 18.130 19.000 -0.078 0.000 0.801 193 A HN 0.604 nan 8.150 nan 0.000 0.455 194 S N -0.934 114.729 115.700 -0.062 0.000 2.481 194 S HA -0.022 4.448 4.470 0.000 0.000 0.231 194 S C 1.582 176.161 174.600 -0.036 0.000 0.996 194 S CA 1.089 59.260 58.200 -0.048 0.000 0.942 194 S CB -0.402 62.776 63.200 -0.037 0.000 0.768 194 S HN 0.220 nan 8.310 nan 0.000 0.520 195 V N 2.717 122.609 119.914 -0.036 0.000 2.302 195 V HA -0.079 4.042 4.120 0.000 0.000 0.243 195 V C 3.067 179.211 176.094 0.084 0.000 1.036 195 V CA 2.020 64.339 62.300 0.033 0.000 1.020 195 V CB -1.077 30.683 31.823 -0.104 0.000 0.657 195 V HN 0.833 nan 8.190 nan 0.000 0.453 196 T N -1.653 112.923 114.554 0.036 0.000 3.067 196 T HA 0.128 4.478 4.350 0.000 0.000 0.261 196 T C 1.682 176.366 174.700 -0.028 0.000 1.110 196 T CA 0.900 63.037 62.100 0.062 0.000 1.113 196 T CB -0.059 68.786 68.868 -0.038 0.000 0.917 196 T HN 0.372 nan 8.240 nan 0.000 0.499 197 A N 1.714 124.499 122.820 -0.059 0.000 2.168 197 A HA 0.128 4.448 4.320 0.000 0.000 0.215 197 A C 2.464 180.014 177.584 -0.056 0.000 1.152 197 A CA 0.401 52.390 52.037 -0.080 0.000 0.716 197 A CB -0.565 18.387 19.000 -0.080 0.000 0.794 197 A HN 0.502 nan 8.150 nan 0.000 0.465 198 R N -0.751 119.733 120.500 -0.028 0.000 2.081 198 R HA -0.035 4.306 4.340 0.000 0.000 0.235 198 R C 0.028 176.301 176.300 -0.045 0.000 1.131 198 R CA 1.010 57.092 56.100 -0.031 0.000 0.960 198 R CB -0.332 29.951 30.300 -0.028 0.000 0.856 198 R HN 0.294 nan 8.270 nan 0.000 0.436 199 V N 4.410 124.309 119.914 -0.025 0.000 2.368 199 V HA 0.142 4.262 4.120 0.000 0.000 0.266 199 V C -1.737 174.308 176.094 -0.082 0.000 1.045 199 V CA -1.714 60.529 62.300 -0.096 0.000 0.899 199 V CB 1.165 32.974 31.823 -0.024 0.000 1.006 199 V HN 0.149 nan 8.190 nan 0.000 0.470 200 P HA 0.194 nan 4.420 nan 0.000 0.273 200 P C -0.294 176.920 177.300 -0.143 0.000 1.250 200 P CA -0.187 62.833 63.100 -0.135 0.000 0.793 200 P CB 0.718 32.335 31.700 -0.138 0.000 1.011 201 T N 1.433 115.883 114.554 -0.172 0.000 2.823 201 T HA 0.420 4.770 4.350 0.000 0.000 0.279 201 T C 0.146 174.742 174.700 -0.173 0.000 0.998 201 T CA -0.477 61.492 62.100 -0.218 0.000 0.994 201 T CB 0.838 69.480 68.868 -0.378 0.000 0.960 201 T HN 0.287 nan 8.240 nan 0.000 0.448 202 R N 0.662 121.094 120.500 -0.112 0.000 2.787 202 R HA 0.554 4.894 4.340 0.000 0.000 0.271 202 R C 1.006 177.358 176.300 0.087 0.000 0.993 202 R CA -0.645 55.430 56.100 -0.042 0.000 0.993 202 R CB 1.190 31.447 30.300 -0.072 0.000 1.155 202 R HN 0.736 nan 8.270 nan 0.000 0.486 203 T N -3.193 111.401 114.554 0.066 0.000 3.010 203 T HA 0.042 4.392 4.350 0.000 0.000 0.257 203 T C 0.591 175.267 174.700 -0.040 0.000 1.020 203 T CA -0.340 61.811 62.100 0.086 0.000 0.938 203 T CB -0.189 68.721 68.868 0.071 0.000 1.049 203 T HN 0.577 nan 8.240 nan 0.000 0.522 204 N N 1.760 120.423 118.700 -0.061 0.000 2.593 204 N HA 0.293 5.033 4.740 0.000 0.000 0.304 204 N C 0.148 175.605 175.510 -0.088 0.000 1.296 204 N CA -1.079 51.911 53.050 -0.099 0.000 0.950 204 N CB 0.450 38.878 38.487 -0.097 0.000 1.127 204 N HN 0.051 nan 8.380 nan 0.000 0.587 205 R N -1.353 119.092 120.500 -0.092 0.000 2.696 205 R HA 0.215 4.555 4.340 0.000 0.000 0.355 205 R C -0.844 175.405 176.300 -0.085 0.000 1.138 205 R CA -0.430 55.618 56.100 -0.086 0.000 1.059 205 R CB -0.224 30.026 30.300 -0.082 0.000 1.380 205 R HN 0.533 nan 8.270 nan 0.000 0.578 206 D N 1.457 121.803 120.400 -0.090 0.000 2.295 206 D HA 0.005 4.646 4.640 0.000 0.000 0.248 206 D C 0.439 176.673 176.300 -0.109 0.000 1.154 206 D CA -0.133 53.811 54.000 -0.094 0.000 0.857 206 D CB 0.908 41.651 40.800 -0.095 0.000 1.117 206 D HN 0.193 nan 8.370 nan 0.000 0.468 207 N N 2.847 121.482 118.700 -0.107 0.000 2.236 207 N HA 0.001 4.741 4.740 0.000 0.000 0.196 207 N C -0.013 175.416 175.510 -0.135 0.000 1.114 207 N CA -0.287 52.691 53.050 -0.121 0.000 0.859 207 N CB 0.082 38.503 38.487 -0.109 0.000 0.982 207 N HN 0.148 nan 8.380 nan 0.000 0.493 208 R N 0.089 120.511 120.500 -0.130 0.000 2.590 208 R HA 0.051 4.391 4.340 0.000 0.000 0.274 208 R C 0.581 176.775 176.300 -0.176 0.000 1.061 208 R CA -0.377 55.641 56.100 -0.137 0.000 1.081 208 R CB 0.293 30.533 30.300 -0.099 0.000 0.984 208 R HN 0.033 nan 8.270 nan 0.000 0.448 209 Y N 1.878 121.929 120.300 -0.414 0.000 2.181 209 Y HA -0.051 4.500 4.550 0.000 0.000 0.288 209 Y C 0.043 175.550 175.900 -0.655 0.000 1.146 209 Y CA 1.451 59.175 58.100 -0.627 0.000 1.164 209 Y CB 0.287 38.183 38.460 -0.940 0.000 0.982 209 Y HN 0.404 nan 8.280 nan 0.000 0.515 210 F N -1.448 118.468 119.950 -0.057 0.000 2.443 210 F HA 0.510 5.037 4.527 0.000 0.000 0.335 210 F C 0.756 176.478 175.800 -0.131 0.000 1.104 210 F CA -0.528 57.373 58.000 -0.165 0.000 1.013 210 F CB 1.391 40.220 39.000 -0.285 0.000 1.136 210 F HN -0.166 nan 8.300 nan 0.000 0.470 211 A N 0.998 123.850 122.820 0.053 0.000 2.345 211 A HA 0.168 4.488 4.320 0.000 0.000 0.225 211 A C 0.044 177.616 177.584 -0.021 0.000 1.243 211 A CA -0.326 51.703 52.037 -0.013 0.000 0.875 211 A CB -0.725 18.247 19.000 -0.046 0.000 0.929 211 A HN 0.679 nan 8.150 nan 0.000 0.502 212 D N -0.245 120.167 120.400 0.021 0.000 2.443 212 D HA 0.107 4.747 4.640 0.000 0.000 0.234 212 D C 1.237 177.452 176.300 -0.143 0.000 1.172 212 D CA 0.691 54.672 54.000 -0.032 0.000 0.878 212 D CB 0.557 41.367 40.800 0.016 0.000 1.204 212 D HN 0.097 nan 8.370 nan 0.000 0.453 213 T N 0.284 114.685 114.554 -0.255 0.000 2.857 213 T HA -0.105 4.245 4.350 0.000 0.000 0.266 213 T C 0.254 174.495 174.700 -0.764 0.000 1.048 213 T CA 1.074 62.846 62.100 -0.546 0.000 1.139 213 T CB -0.182 68.240 68.868 -0.743 0.000 0.874 213 T HN 0.333 nan 8.240 nan 0.000 0.455 214 Y N 1.627 121.756 120.300 -0.285 0.000 2.402 214 Y HA 0.497 5.048 4.550 0.000 0.000 0.332 214 Y C 0.137 175.838 175.900 -0.331 0.000 0.960 214 Y CA -0.962 56.842 58.100 -0.494 0.000 1.228 214 Y CB 0.769 38.736 38.460 -0.821 0.000 1.120 214 Y HN -0.020 nan 8.280 nan 0.000 0.491 215 Q N 3.101 122.827 119.800 -0.124 0.000 2.347 215 Q HA 0.833 5.174 4.340 0.000 0.000 0.265 215 Q C -1.147 174.927 176.000 0.123 0.000 1.024 215 Q CA -0.798 55.021 55.803 0.028 0.000 0.731 215 Q CB 2.163 30.919 28.738 0.030 0.000 1.245 215 Q HN 0.789 nan 8.270 nan 0.000 0.472 216 A N 2.657 125.640 122.820 0.272 0.000 2.597 216 A HA 0.702 5.022 4.320 0.000 0.000 0.292 216 A C -1.583 176.343 177.584 0.569 0.000 1.057 216 A CA -0.746 51.522 52.037 0.385 0.000 0.674 216 A CB 1.457 20.635 19.000 0.296 0.000 1.278 216 A HN 0.501 nan 8.150 nan 0.000 0.416 217 M N 1.299 121.219 119.600 0.533 0.000 2.472 217 M HA 0.448 4.929 4.480 0.000 0.000 0.331 217 M C -2.620 173.872 176.300 0.320 0.000 1.170 217 M CA -2.470 53.070 55.300 0.400 0.000 1.009 217 M CB 0.938 33.663 32.600 0.207 0.000 1.672 217 M HN 0.340 nan 8.290 nan 0.000 0.453 218 P HA 0.062 nan 4.420 nan 0.000 0.271 218 P C 0.812 177.924 177.300 -0.314 0.000 1.216 218 P CA -0.356 62.500 63.100 -0.407 0.000 0.771 218 P CB 0.461 31.768 31.700 -0.655 0.000 0.864 219 L N 3.519 124.518 121.223 -0.373 0.000 2.127 219 L HA -0.171 4.169 4.340 0.000 0.000 0.211 219 L C 1.168 177.734 176.870 -0.506 0.000 1.089 219 L CA 2.160 56.742 54.840 -0.430 0.000 0.757 219 L CB -0.901 40.798 42.059 -0.600 0.000 0.899 219 L HN 0.460 nan 8.230 nan 0.000 0.434 220 H N -0.936 118.044 119.070 -0.150 0.000 2.662 220 H HA 0.541 5.097 4.556 0.000 0.000 0.268 220 H C 0.684 175.942 175.328 -0.117 0.000 1.152 220 H CA 0.355 56.346 56.048 -0.096 0.000 1.072 220 H CB -0.062 29.652 29.762 -0.079 0.000 1.660 220 H HN 0.260 nan 8.280 nan 0.000 0.584 221 G N 0.004 108.733 108.800 -0.118 0.000 2.675 221 G HA2 -0.247 3.713 3.960 0.000 0.000 0.686 221 G HA3 -0.247 3.713 3.960 0.000 0.000 0.686 221 G C 0.203 174.975 174.900 -0.214 0.000 1.215 221 G CA -0.492 44.507 45.100 -0.167 0.000 0.777 221 G HN 0.222 nan 8.290 nan 0.000 0.638 222 Y N 0.711 120.955 120.300 -0.094 0.000 2.114 222 Y HA -0.193 4.358 4.550 0.000 0.000 0.282 222 Y C 3.423 179.349 175.900 0.044 0.000 1.165 222 Y CA 2.655 60.718 58.100 -0.061 0.000 1.148 222 Y CB -0.548 37.922 38.460 0.016 0.000 0.972 222 Y HN 0.692 nan 8.280 nan 0.000 0.504 223 T N 0.140 114.788 114.554 0.156 0.000 2.665 223 T HA -0.210 4.140 4.350 0.000 0.000 0.268 223 T C 1.975 176.738 174.700 0.105 0.000 1.035 223 T CA 1.461 63.646 62.100 0.141 0.000 1.151 223 T CB -0.203 68.630 68.868 -0.058 0.000 0.862 223 T HN 0.242 nan 8.240 nan 0.000 0.438 224 R N 0.676 121.187 120.500 0.019 0.000 2.105 224 R HA -0.033 4.308 4.340 0.000 0.000 0.239 224 R C 2.471 178.738 176.300 -0.055 0.000 1.135 224 R CA 1.198 57.291 56.100 -0.011 0.000 0.967 224 R CB -0.727 29.564 30.300 -0.015 0.000 0.861 224 R HN 0.500 nan 8.270 nan 0.000 0.442 225 M N -0.248 119.275 119.600 -0.129 0.000 2.099 225 M HA -0.137 4.343 4.480 0.000 0.000 0.262 225 M C 1.710 177.835 176.300 -0.291 0.000 1.067 225 M CA 1.729 56.877 55.300 -0.255 0.000 1.124 225 M CB -0.203 32.145 32.600 -0.420 0.000 1.353 225 M HN -0.043 nan 8.290 nan 0.000 0.410 226 F N 1.055 120.878 119.950 -0.212 0.000 2.095 226 F HA -0.258 4.269 4.527 0.000 0.000 0.298 226 F C 2.612 178.304 175.800 -0.180 0.000 1.104 226 F CA 1.902 59.754 58.000 -0.247 0.000 1.232 226 F CB -0.707 38.161 39.000 -0.221 0.000 0.987 226 F HN 0.267 nan 8.300 nan 0.000 0.475 227 Q N 0.061 119.906 119.800 0.076 0.000 2.133 227 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 227 Q C 1.901 177.895 176.000 -0.010 0.000 0.991 227 Q CA 1.786 57.604 55.803 0.026 0.000 0.867 227 Q CB -0.259 28.492 28.738 0.021 0.000 0.911 227 Q HN 0.392 nan 8.270 nan 0.000 0.417 228 N N 0.023 118.707 118.700 -0.027 0.000 2.171 228 N HA -0.101 4.639 4.740 0.000 0.000 0.184 228 N C 1.519 177.027 175.510 -0.003 0.000 1.021 228 N CA 0.936 53.994 53.050 0.013 0.000 0.854 228 N CB -0.251 38.272 38.487 0.061 0.000 0.994 228 N HN 0.223 nan 8.380 nan 0.000 0.426 229 M N 0.169 119.640 119.600 -0.215 0.000 2.267 229 M HA -0.060 4.420 4.480 0.000 0.000 0.263 229 M C 0.584 176.745 176.300 -0.232 0.000 1.063 229 M CA 1.294 56.264 55.300 -0.550 0.000 1.090 229 M CB 0.125 32.261 32.600 -0.774 0.000 1.392 229 M HN 0.056 nan 8.290 nan 0.000 0.422 230 L N -1.110 120.050 121.223 -0.105 0.000 2.857 230 L HA 0.138 4.478 4.340 0.000 0.000 0.249 230 L C 1.945 178.803 176.870 -0.021 0.000 1.172 230 L CA -0.090 54.717 54.840 -0.055 0.000 0.980 230 L CB -0.123 41.912 42.059 -0.039 0.000 1.299 230 L HN 0.281 nan 8.230 nan 0.000 0.535 231 S N -1.654 114.042 115.700 -0.007 0.000 2.428 231 S HA -0.087 4.383 4.470 0.000 0.000 0.230 231 S C 1.242 175.852 174.600 0.016 0.000 1.014 231 S CA 0.174 58.378 58.200 0.008 0.000 0.957 231 S CB -0.161 63.046 63.200 0.013 0.000 0.784 231 S HN 0.331 nan 8.310 nan 0.000 0.499 232 S N 3.391 119.104 115.700 0.022 0.000 2.599 232 S HA 0.068 4.538 4.470 0.000 0.000 0.303 232 S C -1.444 173.177 174.600 0.036 0.000 1.267 232 S CA -0.822 57.397 58.200 0.031 0.000 1.055 232 S CB 0.445 63.666 63.200 0.035 0.000 0.790 232 S HN 0.214 nan 8.310 nan 0.000 0.500 233 P HA -0.050 nan 4.420 nan 0.000 0.219 233 P C 0.706 178.046 177.300 0.067 0.000 1.146 233 P CA 0.876 64.004 63.100 0.046 0.000 0.808 233 P CB 0.033 31.757 31.700 0.041 0.000 0.779 234 N N -0.667 118.077 118.700 0.073 0.000 2.515 234 N HA 0.024 4.764 4.740 0.000 0.000 0.185 234 N C 0.503 176.086 175.510 0.122 0.000 1.109 234 N CA 0.541 53.653 53.050 0.103 0.000 0.903 234 N CB -0.150 38.397 38.487 0.100 0.000 0.969 234 N HN 0.270 nan 8.380 nan 0.000 0.450 235 I N 1.241 121.859 120.570 0.081 0.000 2.339 235 I HA 0.215 4.385 4.170 0.000 0.000 0.290 235 I C -0.146 176.000 176.117 0.049 0.000 0.994 235 I CA -0.822 60.510 61.300 0.054 0.000 1.191 235 I CB 1.271 39.278 38.000 0.011 0.000 1.343 235 I HN -0.366 nan 8.210 nan 0.000 0.458 236 K N 6.030 126.451 120.400 0.035 0.000 2.206 236 K HA 0.579 4.899 4.320 0.000 0.000 0.264 236 K C -0.773 175.792 176.600 -0.058 0.000 0.967 236 K CA -0.749 55.551 56.287 0.022 0.000 0.844 236 K CB 2.716 35.270 32.500 0.090 0.000 1.099 236 K HN 0.287 nan 8.250 nan 0.000 0.441 237 V N 3.945 123.835 119.914 -0.041 0.000 2.398 237 V HA 0.413 4.533 4.120 0.000 0.000 0.286 237 V C -0.221 175.833 176.094 -0.066 0.000 1.026 237 V CA -0.762 61.498 62.300 -0.068 0.000 0.868 237 V CB 1.469 33.258 31.823 -0.056 0.000 0.982 237 V HN 0.736 nan 8.190 nan 0.000 0.443 238 M N 6.404 125.949 119.600 -0.092 0.000 2.134 238 M HA 0.610 5.090 4.480 0.000 0.000 0.310 238 M C -1.573 174.671 176.300 -0.093 0.000 0.966 238 M CA -0.242 55.012 55.300 -0.076 0.000 0.922 238 M CB 1.095 33.649 32.600 -0.076 0.000 1.537 238 M HN 0.514 nan 8.290 nan 0.000 0.424 239 L N 3.667 124.840 121.223 -0.083 0.000 2.322 239 L HA 0.549 4.889 4.340 0.000 0.000 0.269 239 L C 0.660 177.476 176.870 -0.090 0.000 1.012 239 L CA -0.906 53.868 54.840 -0.110 0.000 0.815 239 L CB 1.471 43.462 42.059 -0.114 0.000 1.295 239 L HN 0.908 nan 8.230 nan 0.000 0.438 240 N N -0.281 118.351 118.700 -0.112 0.000 2.741 240 N HA -0.156 4.584 4.740 0.000 0.000 0.250 240 N C -0.858 174.615 175.510 -0.063 0.000 1.115 240 N CA 1.100 54.099 53.050 -0.084 0.000 0.724 240 N CB -0.644 37.807 38.487 -0.060 0.000 1.090 240 N HN 0.770 nan 8.380 nan 0.000 0.558 241 T N 0.149 114.662 114.554 -0.069 0.000 2.809 241 T HA 0.172 4.522 4.350 0.000 0.000 0.284 241 T C -0.786 173.884 174.700 -0.051 0.000 0.992 241 T CA -0.725 61.344 62.100 -0.052 0.000 0.957 241 T CB 1.812 70.652 68.868 -0.045 0.000 0.942 241 T HN 0.075 nan 8.240 nan 0.000 0.439 242 D N 1.769 122.135 120.400 -0.056 0.000 2.351 242 D HA 0.052 4.693 4.640 0.000 0.000 0.251 242 D C 1.093 177.339 176.300 -0.090 0.000 1.137 242 D CA -0.444 53.524 54.000 -0.054 0.000 0.879 242 D CB 0.829 41.573 40.800 -0.094 0.000 1.181 242 D HN 0.716 nan 8.370 nan 0.000 0.448 243 Y N 3.523 123.766 120.300 -0.095 0.000 2.333 243 Y HA -0.092 4.459 4.550 0.000 0.000 0.290 243 Y C 1.983 177.799 175.900 -0.140 0.000 1.144 243 Y CA 0.798 58.822 58.100 -0.127 0.000 1.228 243 Y CB -0.227 38.163 38.460 -0.116 0.000 0.985 243 Y HN 0.289 nan 8.280 nan 0.000 0.542 244 R N 0.937 120.866 120.500 -0.953 0.000 2.120 244 R HA -0.136 4.205 4.340 0.000 0.000 0.234 244 R C 1.781 177.851 176.300 -0.384 0.000 1.123 244 R CA 1.683 57.345 56.100 -0.730 0.000 0.975 244 R CB -0.338 29.558 30.300 -0.673 0.000 0.866 244 R HN 0.593 nan 8.270 nan 0.000 0.446 245 E N 0.420 120.448 120.200 -0.287 0.000 2.409 245 E HA -0.122 4.228 4.350 0.000 0.000 0.198 245 E C 1.563 177.966 176.600 -0.329 0.000 1.024 245 E CA 0.964 57.245 56.400 -0.198 0.000 0.861 245 E CB 0.116 29.758 29.700 -0.095 0.000 0.788 245 E HN 0.563 nan 8.360 nan 0.000 0.521 246 I N -5.415 114.902 120.570 -0.422 0.000 4.655 246 I HA 0.370 4.541 4.170 0.000 0.000 0.333 246 I C 1.960 177.729 176.117 -0.581 0.000 1.312 246 I CA -0.105 60.766 61.300 -0.716 0.000 1.270 246 I CB 0.417 38.243 38.000 -0.291 0.000 1.318 246 I HN -0.142 nan 8.210 nan 0.000 0.456 247 A N 1.791 124.442 122.820 -0.281 0.000 1.940 247 A HA -0.199 4.121 4.320 0.000 0.000 0.219 247 A C 1.781 179.335 177.584 -0.051 0.000 1.176 247 A CA 2.262 54.302 52.037 0.004 0.000 0.631 247 A CB -0.710 18.345 19.000 0.092 0.000 0.814 247 A HN 0.458 nan 8.150 nan 0.000 0.446 248 D N -1.010 119.253 120.400 -0.229 0.000 2.311 248 D HA -0.124 4.516 4.640 0.000 0.000 0.212 248 D C 0.979 177.285 176.300 0.011 0.000 0.972 248 D CA 1.674 55.606 54.000 -0.114 0.000 0.887 248 D CB -0.226 40.524 40.800 -0.082 0.000 0.915 248 D HN 0.798 nan 8.370 nan 0.000 0.497 249 F N -2.478 117.523 119.950 0.084 0.000 3.022 249 F HA 0.377 4.904 4.527 0.000 0.000 0.351 249 F C -0.119 175.749 175.800 0.114 0.000 1.170 249 F CA -0.655 57.390 58.000 0.075 0.000 1.066 249 F CB 0.053 39.082 39.000 0.049 0.000 1.297 249 F HN -0.308 nan 8.300 nan 0.000 0.519 250 I N 3.680 124.414 120.570 0.273 0.000 2.382 250 I HA 0.409 4.579 4.170 0.000 0.000 0.286 250 I C -2.484 173.864 176.117 0.385 0.000 1.002 250 I CA -2.229 59.293 61.300 0.370 0.000 1.135 250 I CB 1.678 39.900 38.000 0.370 0.000 1.288 250 I HN -0.195 nan 8.210 nan 0.000 0.448 251 P HA 0.136 nan 4.420 nan 0.000 0.271 251 P C -1.115 176.374 177.300 0.315 0.000 1.233 251 P CA 0.203 63.399 63.100 0.160 0.000 0.764 251 P CB -0.025 31.723 31.700 0.080 0.000 0.825 252 F N 0.277 120.299 119.950 0.121 0.000 2.573 252 F HA 0.412 4.939 4.527 0.000 0.000 0.316 252 F C 0.827 176.653 175.800 0.043 0.000 1.148 252 F CA -0.951 57.118 58.000 0.115 0.000 0.940 252 F CB 1.108 40.181 39.000 0.123 0.000 1.214 252 F HN -0.008 nan 8.300 nan 0.000 0.448 253 Q N 1.465 121.326 119.800 0.101 0.000 2.224 253 Q HA -0.046 4.294 4.340 0.000 0.000 0.203 253 Q C -0.189 175.869 176.000 0.097 0.000 0.970 253 Q CA 1.558 57.367 55.803 0.011 0.000 0.865 253 Q CB -0.327 28.389 28.738 -0.036 0.000 0.922 253 Q HN 0.909 nan 8.270 nan 0.000 0.445 254 H N -1.948 117.162 119.070 0.067 0.000 3.042 254 H HA 0.557 5.113 4.556 0.000 0.000 0.346 254 H C -1.636 173.844 175.328 0.253 0.000 1.294 254 H CA -0.622 55.471 56.048 0.075 0.000 1.141 254 H CB 1.517 31.127 29.762 -0.253 0.000 1.872 254 H HN 0.005 nan 8.280 nan 0.000 0.541 255 M N 4.607 124.121 119.600 -0.144 0.000 2.327 255 M HA 0.520 5.000 4.480 0.000 0.000 0.298 255 M C -1.819 174.439 176.300 -0.071 0.000 1.065 255 M CA -0.627 54.616 55.300 -0.095 0.000 0.916 255 M CB 1.397 33.895 32.600 -0.170 0.000 1.630 255 M HN 0.529 nan 8.290 nan 0.000 0.442 256 I N 5.044 125.604 120.570 -0.017 0.000 2.359 256 I HA 0.258 4.428 4.170 0.000 0.000 0.284 256 I C -1.541 174.452 176.117 -0.205 0.000 1.018 256 I CA -0.761 60.506 61.300 -0.055 0.000 1.173 256 I CB 0.903 38.910 38.000 0.011 0.000 1.326 256 I HN 0.680 nan 8.210 nan 0.000 0.462 257 Y N 5.961 125.957 120.300 -0.506 0.000 2.328 257 Y HA 0.285 4.835 4.550 0.000 0.000 0.337 257 Y C 1.138 176.791 175.900 -0.412 0.000 1.008 257 Y CA -0.329 57.393 58.100 -0.630 0.000 1.129 257 Y CB 1.541 39.320 38.460 -1.135 0.000 1.185 257 Y HN 0.644 nan 8.280 nan 0.000 0.476 258 T N 1.133 115.187 114.554 -0.833 0.000 3.043 258 T HA 0.374 4.725 4.350 0.000 0.000 0.272 258 T C 0.765 175.073 174.700 -0.654 0.000 0.990 258 T CA 0.173 61.956 62.100 -0.528 0.000 0.897 258 T CB -0.386 68.300 68.868 -0.302 0.000 1.111 258 T HN 0.744 nan 8.240 nan 0.000 0.529 259 G N 2.416 110.413 108.800 -1.338 0.000 2.611 259 G HA2 0.545 4.505 3.960 0.000 0.000 0.273 259 G HA3 0.545 4.505 3.960 0.000 0.000 0.273 259 G C -2.825 171.884 174.900 -0.319 0.000 1.305 259 G CA -1.454 43.145 45.100 -0.836 0.000 1.010 259 G HN 0.227 nan 8.290 nan 0.000 0.509 260 P HA 0.182 nan 4.420 nan 0.000 0.275 260 P C 1.071 178.574 177.300 0.338 0.000 1.227 260 P CA -0.512 62.688 63.100 0.167 0.000 0.781 260 P CB 1.285 33.006 31.700 0.035 0.000 0.906 261 V N 2.126 122.225 119.914 0.309 0.000 2.307 261 V HA -0.238 3.883 4.120 0.000 0.000 0.245 261 V C 2.013 178.058 176.094 -0.082 0.000 1.045 261 V CA 2.362 64.813 62.300 0.252 0.000 1.024 261 V CB -1.442 30.555 31.823 0.290 0.000 0.651 261 V HN 0.552 nan 8.190 nan 0.000 0.449 262 D N 2.492 122.659 120.400 -0.388 0.000 2.106 262 D HA -0.233 4.407 4.640 0.000 0.000 0.191 262 D C 2.029 177.820 176.300 -0.849 0.000 0.997 262 D CA 2.000 55.526 54.000 -0.791 0.000 0.834 262 D CB -0.820 39.664 40.800 -0.526 0.000 0.956 262 D HN 0.436 nan 8.370 nan 0.000 0.448 263 A N -0.504 121.802 122.820 -0.856 0.000 2.076 263 A HA -0.085 4.235 4.320 0.000 0.000 0.220 263 A C 2.052 179.410 177.584 -0.377 0.000 1.160 263 A CA 1.151 52.664 52.037 -0.874 0.000 0.653 263 A CB -1.194 17.702 19.000 -0.174 0.000 0.801 263 A HN 0.331 nan 8.150 nan 0.000 0.455 264 F N -1.378 118.297 119.950 -0.458 0.000 2.335 264 F HA 0.164 4.692 4.527 0.000 0.000 0.296 264 F C 0.722 176.146 175.800 -0.626 0.000 1.091 264 F CA 0.668 58.303 58.000 -0.607 0.000 1.399 264 F CB 0.206 38.600 39.000 -1.009 0.000 1.067 264 F HN 0.161 nan 8.300 nan 0.000 0.520 265 F N 1.113 121.101 119.950 0.064 0.000 2.925 265 F HA 0.213 4.740 4.527 0.000 0.000 0.302 265 F C 0.074 175.846 175.800 -0.047 0.000 1.189 265 F CA -0.806 57.212 58.000 0.030 0.000 1.346 265 F CB -0.561 38.532 39.000 0.155 0.000 0.954 265 F HN -0.156 nan 8.300 nan 0.000 0.506 266 D N 0.580 120.953 120.400 -0.044 0.000 2.706 266 D HA -0.301 4.339 4.640 0.000 0.000 0.230 266 D C 0.180 176.607 176.300 0.212 0.000 1.184 266 D CA 0.975 54.989 54.000 0.023 0.000 0.628 266 D CB -1.521 39.329 40.800 0.083 0.000 1.019 266 D HN 0.467 nan 8.370 nan 0.000 0.415 267 F N -3.233 116.837 119.950 0.200 0.000 3.091 267 F HA -0.386 4.141 4.527 0.000 0.000 0.288 267 F C 2.373 178.307 175.800 0.224 0.000 0.907 267 F CA 0.586 58.728 58.000 0.237 0.000 1.028 267 F CB -2.577 36.511 39.000 0.147 0.000 1.022 267 F HN 0.499 nan 8.300 nan 0.000 0.665 268 C N -2.241 117.200 119.300 0.235 0.000 2.422 268 C HA -0.143 4.318 4.460 0.000 0.000 0.279 268 C C 2.029 177.004 174.990 -0.025 0.000 1.305 268 C CA 1.060 60.064 59.018 -0.023 0.000 1.757 268 C CB -1.058 26.495 27.740 -0.311 0.000 1.962 268 C HN 0.506 nan 8.230 nan 0.000 0.499 269 Y N 2.656 123.000 120.300 0.073 0.000 2.571 269 Y HA 0.495 5.045 4.550 0.000 0.000 0.275 269 Y C 1.416 177.398 175.900 0.137 0.000 1.179 269 Y CA -0.186 57.888 58.100 -0.043 0.000 1.242 269 Y CB -0.721 37.510 38.460 -0.382 0.000 1.126 269 Y HN 0.747 nan 8.280 nan 0.000 0.524 270 G N 0.491 109.517 108.800 0.377 0.000 2.587 270 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 270 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 270 G C -1.118 174.048 174.900 0.444 0.000 1.236 270 G CA -1.299 44.004 45.100 0.338 0.000 0.820 270 G HN 0.136 nan 8.290 nan 0.000 0.645 271 K N 0.219 120.826 120.400 0.346 0.000 2.322 271 K HA 0.550 4.870 4.320 0.000 0.000 0.283 271 K C 0.531 177.323 176.600 0.320 0.000 1.042 271 K CA -0.467 56.051 56.287 0.386 0.000 0.958 271 K CB 0.610 33.229 32.500 0.198 0.000 0.984 271 K HN 0.540 nan 8.250 nan 0.000 0.473 272 L N 7.866 129.286 121.223 0.329 0.000 2.315 272 L HA 0.272 4.612 4.340 0.000 0.000 0.283 272 L C -1.967 175.077 176.870 0.290 0.000 1.089 272 L CA -2.139 52.819 54.840 0.197 0.000 0.833 272 L CB 0.947 43.038 42.059 0.052 0.000 1.170 272 L HN 0.629 nan 8.230 nan 0.000 0.442 273 P HA 0.058 nan 4.420 nan 0.000 0.264 273 P C -1.401 176.029 177.300 0.217 0.000 1.229 273 P CA 0.456 63.703 63.100 0.245 0.000 0.780 273 P CB 0.118 31.942 31.700 0.206 0.000 0.808 274 Y N 2.080 122.532 120.300 0.254 0.000 2.549 274 Y HA 0.627 5.177 4.550 0.000 0.000 0.339 274 Y C 0.934 176.938 175.900 0.173 0.000 1.053 274 Y CA -0.886 57.342 58.100 0.213 0.000 1.105 274 Y CB 1.688 40.233 38.460 0.142 0.000 1.258 274 Y HN 0.128 nan 8.280 nan 0.000 0.478 275 R N 0.575 121.274 120.500 0.332 0.000 2.532 275 R HA 0.649 4.989 4.340 0.000 0.000 0.295 275 R C -0.576 175.860 176.300 0.228 0.000 0.968 275 R CA -0.335 55.894 56.100 0.215 0.000 0.916 275 R CB 1.643 31.980 30.300 0.062 0.000 1.124 275 R HN 0.704 nan 8.270 nan 0.000 0.463 276 S N 2.427 118.228 115.700 0.168 0.000 2.798 276 S HA 0.756 5.226 4.470 0.000 0.000 0.312 276 S C -1.330 173.424 174.600 0.256 0.000 1.122 276 S CA -0.709 57.604 58.200 0.189 0.000 0.949 276 S CB 0.670 63.886 63.200 0.028 0.000 1.235 276 S HN 0.414 nan 8.310 nan 0.000 0.552 277 L N 1.329 122.740 121.223 0.314 0.000 2.445 277 L HA 0.553 4.893 4.340 0.000 0.000 0.262 277 L C -0.619 176.138 176.870 -0.188 0.000 0.974 277 L CA -0.529 54.300 54.840 -0.019 0.000 0.822 277 L CB 2.149 44.040 42.059 -0.280 0.000 1.339 277 L HN 0.672 nan 8.230 nan 0.000 0.409 278 E N 1.636 121.701 120.200 -0.225 0.000 2.214 278 E HA 0.556 4.906 4.350 0.000 0.000 0.274 278 E C -1.733 174.692 176.600 -0.291 0.000 0.977 278 E CA -0.612 55.694 56.400 -0.158 0.000 0.827 278 E CB 1.580 31.272 29.700 -0.014 0.000 1.130 278 E HN 0.306 nan 8.360 nan 0.000 0.394 279 F N 2.101 122.197 119.950 0.244 0.000 2.495 279 F HA 0.431 4.958 4.527 0.000 0.000 0.327 279 F C 0.418 176.350 175.800 0.220 0.000 1.103 279 F CA -0.889 57.244 58.000 0.221 0.000 0.949 279 F CB 1.605 40.737 39.000 0.221 0.000 1.142 279 F HN 0.248 nan 8.300 nan 0.000 0.457 280 R N 3.099 123.817 120.500 0.363 0.000 2.393 280 R HA 0.356 4.696 4.340 0.000 0.000 0.315 280 R C -1.310 175.091 176.300 0.169 0.000 0.952 280 R CA -0.536 55.736 56.100 0.286 0.000 0.842 280 R CB 0.646 31.125 30.300 0.299 0.000 1.163 280 R HN 0.725 nan 8.270 nan 0.000 0.450 281 H N 2.804 121.993 119.070 0.198 0.000 2.467 281 H HA 0.275 4.831 4.556 0.000 0.000 0.326 281 H C -0.642 174.741 175.328 0.093 0.000 1.094 281 H CA -0.406 55.735 56.048 0.155 0.000 1.253 281 H CB 2.131 31.950 29.762 0.095 0.000 1.439 281 H HN 0.572 nan 8.280 nan 0.000 0.479 282 E N 0.786 121.081 120.200 0.157 0.000 2.369 282 E HA 0.380 4.730 4.350 0.000 0.000 0.270 282 E C -0.998 175.541 176.600 -0.101 0.000 0.909 282 E CA -0.696 55.697 56.400 -0.011 0.000 0.775 282 E CB 2.273 31.938 29.700 -0.058 0.000 1.270 282 E HN 0.422 nan 8.360 nan 0.000 0.445 283 T N 1.372 115.775 114.554 -0.251 0.000 2.848 283 T HA 0.460 4.811 4.350 0.000 0.000 0.285 283 T C -1.349 173.147 174.700 -0.340 0.000 0.995 283 T CA -0.708 61.269 62.100 -0.205 0.000 0.970 283 T CB 0.627 69.430 68.868 -0.108 0.000 0.976 283 T HN 0.359 nan 8.240 nan 0.000 0.441 284 H N 0.593 119.669 119.070 0.010 0.000 2.569 284 H HA 0.388 4.944 4.556 0.000 0.000 0.357 284 H C -0.493 174.840 175.328 0.009 0.000 1.153 284 H CA -0.779 55.279 56.048 0.017 0.000 1.193 284 H CB 1.285 31.063 29.762 0.026 0.000 1.602 284 H HN 0.417 nan 8.280 nan 0.000 0.523 285 D N 1.577 122.067 120.400 0.151 0.000 2.688 285 D HA 0.141 4.781 4.640 0.000 0.000 0.228 285 D C -0.709 175.649 176.300 0.097 0.000 1.116 285 D CA 0.364 54.422 54.000 0.098 0.000 1.023 285 D CB -0.214 40.639 40.800 0.088 0.000 1.100 285 D HN 0.468 nan 8.370 nan 0.000 0.487 286 T N -0.324 114.287 114.554 0.094 0.000 2.827 286 T HA 0.128 4.478 4.350 0.000 0.000 0.328 286 T C 0.514 175.257 174.700 0.072 0.000 1.598 286 T CA -0.518 61.628 62.100 0.077 0.000 1.043 286 T CB 1.215 70.118 68.868 0.059 0.000 1.447 286 T HN 0.058 nan 8.240 nan 0.000 0.491 287 E N 0.558 120.795 120.200 0.063 0.000 2.285 287 E HA 0.064 4.415 4.350 0.000 0.000 0.194 287 E C 0.425 177.045 176.600 0.033 0.000 0.997 287 E CA 0.431 56.865 56.400 0.057 0.000 0.845 287 E CB 0.348 30.078 29.700 0.051 0.000 0.782 287 E HN 0.442 nan 8.360 nan 0.000 0.491 288 Q N 0.352 120.173 119.800 0.035 0.000 2.331 288 Q HA 0.108 4.448 4.340 0.000 0.000 0.249 288 Q C -0.625 175.402 176.000 0.045 0.000 0.913 288 Q CA -0.197 55.629 55.803 0.039 0.000 0.874 288 Q CB 1.387 30.140 28.738 0.025 0.000 1.384 288 Q HN 0.081 nan 8.270 nan 0.000 0.427 289 L N 4.132 125.384 121.223 0.048 0.000 2.189 289 L HA 0.364 4.704 4.340 0.000 0.000 0.199 289 L C -0.173 176.701 176.870 0.007 0.000 1.074 289 L CA 1.187 56.024 54.840 -0.005 0.000 0.783 289 L CB 0.429 42.465 42.059 -0.038 0.000 0.955 289 L HN 0.608 nan 8.230 nan 0.000 0.460 290 L N 0.622 121.867 121.223 0.036 0.000 2.375 290 L HA 0.338 4.678 4.340 0.000 0.000 0.268 290 L C -1.487 175.394 176.870 0.017 0.000 1.058 290 L CA -1.507 53.318 54.840 -0.026 0.000 0.803 290 L CB 0.623 42.597 42.059 -0.141 0.000 1.212 290 L HN -0.051 nan 8.230 nan 0.000 0.451 291 P HA 0.037 nan 4.420 nan 0.000 0.245 291 P C 0.082 177.297 177.300 -0.142 0.000 1.203 291 P CA 0.536 63.617 63.100 -0.031 0.000 0.792 291 P CB 0.427 32.102 31.700 -0.042 0.000 0.997 292 T N -5.740 108.577 114.554 -0.395 0.000 2.696 292 T HA 0.544 4.895 4.350 0.000 0.000 0.291 292 T C 1.394 175.572 174.700 -0.870 0.000 1.095 292 T CA -0.117 61.638 62.100 -0.576 0.000 1.026 292 T CB 0.820 69.490 68.868 -0.331 0.000 1.390 292 T HN -0.128 nan 8.240 nan 0.000 0.513 293 G N 0.014 108.484 108.800 -0.549 0.000 2.432 293 G HA2 0.271 4.231 3.960 0.000 0.000 0.219 293 G HA3 0.271 4.231 3.960 0.000 0.000 0.219 293 G C 0.302 175.092 174.900 -0.182 0.000 1.135 293 G CA 0.816 45.788 45.100 -0.214 0.000 0.767 293 G HN 0.896 nan 8.290 nan 0.000 0.550 294 T N -0.608 113.782 114.554 -0.273 0.000 3.032 294 T HA 0.468 4.818 4.350 0.000 0.000 0.312 294 T C -1.118 173.428 174.700 -0.257 0.000 1.078 294 T CA -0.476 61.489 62.100 -0.225 0.000 1.028 294 T CB 2.743 71.537 68.868 -0.123 0.000 1.091 294 T HN -0.082 nan 8.240 nan 0.000 0.457 295 V N 3.972 123.753 119.914 -0.221 0.000 2.398 295 V HA 0.456 4.576 4.120 0.000 0.000 0.286 295 V C -0.141 175.789 176.094 -0.274 0.000 1.026 295 V CA -1.014 61.119 62.300 -0.278 0.000 0.868 295 V CB 1.554 33.190 31.823 -0.313 0.000 0.982 295 V HN 0.730 nan 8.190 nan 0.000 0.443 296 N N 2.963 121.499 118.700 -0.274 0.000 2.499 296 N HA 0.387 5.127 4.740 0.000 0.000 0.281 296 N C -1.029 174.308 175.510 -0.288 0.000 1.098 296 N CA -0.141 52.847 53.050 -0.103 0.000 0.979 296 N CB 0.820 39.289 38.487 -0.030 0.000 1.121 296 N HN 0.569 nan 8.380 nan 0.000 0.466 297 Y N 2.151 122.555 120.300 0.173 0.000 2.919 297 Y HA 0.301 4.851 4.550 0.000 0.000 0.341 297 Y C -1.458 174.498 175.900 0.093 0.000 1.045 297 Y CA -1.752 56.416 58.100 0.114 0.000 1.218 297 Y CB 1.310 39.842 38.460 0.120 0.000 1.137 297 Y HN 0.552 nan 8.280 nan 0.000 0.577 298 P HA -0.126 nan 4.420 nan 0.000 0.216 298 P C 0.510 177.834 177.300 0.040 0.000 1.153 298 P CA 1.644 64.836 63.100 0.153 0.000 0.848 298 P CB 0.476 32.158 31.700 -0.029 0.000 0.787 299 N N -1.459 117.246 118.700 0.008 0.000 2.171 299 N HA 0.100 4.840 4.740 0.000 0.000 0.212 299 N C -0.343 175.134 175.510 -0.055 0.000 1.184 299 N CA 0.258 53.286 53.050 -0.036 0.000 0.888 299 N CB 0.962 39.404 38.487 -0.075 0.000 1.038 299 N HN 0.224 nan 8.380 nan 0.000 0.517 300 D N 0.116 120.509 120.400 -0.012 0.000 2.581 300 D HA 0.365 5.005 4.640 0.000 0.000 0.232 300 D C -0.509 175.659 176.300 -0.220 0.000 1.143 300 D CA -0.193 53.693 54.000 -0.190 0.000 0.881 300 D CB 1.945 42.599 40.800 -0.243 0.000 1.500 300 D HN -0.162 nan 8.370 nan 0.000 0.458 301 Y N -0.732 119.363 120.300 -0.341 0.000 2.506 301 Y HA -0.226 4.324 4.550 0.000 0.000 0.020 301 Y C 0.980 176.592 175.900 -0.480 0.000 1.702 301 Y CA 0.084 57.817 58.100 -0.612 0.000 1.419 301 Y CB -1.029 36.599 38.460 -1.388 0.000 2.065 301 Y HN 0.514 nan 8.280 nan 0.000 0.254 302 A N 0.803 123.486 122.820 -0.229 0.000 1.930 302 A HA 0.086 4.406 4.320 0.000 0.000 0.215 302 A C 0.490 178.021 177.584 -0.089 0.000 1.176 302 A CA 1.280 53.302 52.037 -0.024 0.000 0.632 302 A CB -0.687 18.453 19.000 0.234 0.000 0.819 302 A HN 0.679 nan 8.150 nan 0.000 0.445 303 Y N -2.458 117.692 120.300 -0.249 0.000 2.385 303 Y HA 0.464 5.015 4.550 0.000 0.000 0.346 303 Y C 1.602 177.352 175.900 -0.249 0.000 1.270 303 Y CA 0.201 57.958 58.100 -0.573 0.000 1.472 303 Y CB -0.020 37.935 38.460 -0.842 0.000 1.354 303 Y HN -0.100 nan 8.280 nan 0.000 0.611 304 T N 0.043 114.573 114.554 -0.041 0.000 3.039 304 T HA 0.236 4.586 4.350 0.000 0.000 0.250 304 T C -0.178 174.613 174.700 0.152 0.000 1.052 304 T CA 0.264 62.300 62.100 -0.107 0.000 1.125 304 T CB -0.066 68.627 68.868 -0.291 0.000 0.908 304 T HN 0.823 nan 8.240 nan 0.000 0.473 305 R N -0.909 119.711 120.500 0.201 0.000 2.728 305 R HA 0.663 5.003 4.340 0.000 0.000 0.274 305 R C -2.171 174.128 176.300 -0.002 0.000 1.032 305 R CA -1.019 55.219 56.100 0.229 0.000 0.866 305 R CB 1.307 31.686 30.300 0.133 0.000 1.263 305 R HN -0.034 nan 8.270 nan 0.000 0.475 306 V N 0.546 120.405 119.914 -0.092 0.000 2.735 306 V HA 0.713 4.833 4.120 0.000 0.000 0.310 306 V C -0.594 175.288 176.094 -0.353 0.000 1.061 306 V CA -0.748 61.284 62.300 -0.446 0.000 0.913 306 V CB 2.072 33.531 31.823 -0.606 0.000 1.005 306 V HN 0.829 nan 8.190 nan 0.000 0.428 307 S N 2.131 117.563 115.700 -0.446 0.000 2.548 307 S HA 0.542 5.012 4.470 0.000 0.000 0.286 307 S C -0.861 173.412 174.600 -0.545 0.000 1.098 307 S CA -0.669 57.265 58.200 -0.444 0.000 0.930 307 S CB 2.100 65.017 63.200 -0.470 0.000 1.070 307 S HN 0.833 nan 8.310 nan 0.000 0.480 308 E N 1.619 121.582 120.200 -0.394 0.000 2.141 308 E HA 0.328 4.678 4.350 0.000 0.000 0.259 308 E C -0.252 176.219 176.600 -0.214 0.000 0.883 308 E CA -0.382 55.878 56.400 -0.234 0.000 0.744 308 E CB 0.420 30.152 29.700 0.053 0.000 1.150 308 E HN 0.594 nan 8.360 nan 0.000 0.420 309 F N 2.989 122.898 119.950 -0.068 0.000 2.161 309 F HA -0.198 4.329 4.527 0.000 0.000 0.300 309 F C 2.102 177.835 175.800 -0.112 0.000 1.089 309 F CA 1.057 58.967 58.000 -0.150 0.000 1.282 309 F CB -0.060 38.802 39.000 -0.231 0.000 1.010 309 F HN 0.433 nan 8.300 nan 0.000 0.485 310 K N -0.578 119.867 120.400 0.075 0.000 2.113 310 K HA -0.208 4.112 4.320 0.000 0.000 0.208 310 K C 1.856 178.417 176.600 -0.065 0.000 1.047 310 K CA 1.437 57.719 56.287 -0.009 0.000 0.928 310 K CB -0.410 32.066 32.500 -0.039 0.000 0.716 310 K HN 0.384 nan 8.250 nan 0.000 0.446 311 H N -0.017 119.028 119.070 -0.042 0.000 2.457 311 H HA -0.093 4.464 4.556 0.000 0.000 0.297 311 H C 1.957 177.151 175.328 -0.224 0.000 1.092 311 H CA 1.333 57.361 56.048 -0.033 0.000 1.309 311 H CB 0.105 29.885 29.762 0.030 0.000 1.382 311 H HN 0.235 nan 8.280 nan 0.000 0.535 312 I N -0.165 120.300 120.570 -0.176 0.000 2.810 312 I HA -0.117 4.053 4.170 0.000 0.000 0.262 312 I C 2.515 178.428 176.117 -0.341 0.000 1.131 312 I CA 1.124 62.125 61.300 -0.498 0.000 1.453 312 I CB 0.018 37.919 38.000 -0.165 0.000 1.161 312 I HN 0.162 nan 8.210 nan 0.000 0.444 313 T N -1.970 112.510 114.554 -0.123 0.000 3.054 313 T HA 0.181 4.532 4.350 0.000 0.000 0.259 313 T C 1.700 176.368 174.700 -0.053 0.000 1.092 313 T CA 0.677 62.742 62.100 -0.058 0.000 1.121 313 T CB 0.249 69.102 68.868 -0.025 0.000 0.912 313 T HN 0.488 nan 8.240 nan 0.000 0.489 314 G N 1.166 109.930 108.800 -0.061 0.000 2.148 314 G HA2 -0.297 3.663 3.960 0.000 0.000 0.254 314 G HA3 -0.297 3.663 3.960 0.000 0.000 0.254 314 G C -0.128 174.777 174.900 0.007 0.000 0.981 314 G CA 0.287 45.375 45.100 -0.021 0.000 0.670 314 G HN 0.916 nan 8.290 nan 0.000 0.528 315 Q N 0.117 119.927 119.800 0.016 0.000 2.337 315 Q HA 0.380 4.720 4.340 0.000 0.000 0.270 315 Q C 0.693 176.739 176.000 0.076 0.000 1.002 315 Q CA -0.418 55.422 55.803 0.061 0.000 0.888 315 Q CB 0.405 29.190 28.738 0.079 0.000 1.222 315 Q HN 0.526 nan 8.270 nan 0.000 0.400 316 R N 3.107 123.667 120.500 0.100 0.000 2.349 316 R HA 0.264 4.604 4.340 0.000 0.000 0.299 316 R C -1.294 175.119 176.300 0.189 0.000 1.027 316 R CA -0.257 55.907 56.100 0.107 0.000 0.958 316 R CB 0.760 31.103 30.300 0.071 0.000 1.047 316 R HN 0.729 nan 8.270 nan 0.000 0.468 317 H N 2.749 121.862 119.070 0.071 0.000 3.121 317 H HA 0.036 4.592 4.556 0.000 0.000 0.337 317 H C 0.122 175.516 175.328 0.110 0.000 1.198 317 H CA -0.492 55.621 56.048 0.108 0.000 1.274 317 H CB 0.974 30.765 29.762 0.048 0.000 1.954 317 H HN 0.945 nan 8.280 nan 0.000 0.531 318 H N 1.752 120.836 119.070 0.024 0.000 2.491 318 H HA 0.080 4.636 4.556 0.000 0.000 0.290 318 H C -0.149 175.303 175.328 0.207 0.000 1.050 318 H CA 0.450 56.550 56.048 0.087 0.000 1.309 318 H CB 0.667 30.427 29.762 -0.003 0.000 1.392 318 H HN 0.434 nan 8.280 nan 0.000 0.554 319 Q N 0.017 119.858 119.800 0.067 0.000 2.576 319 Q HA 0.512 4.852 4.340 0.000 0.000 0.249 319 Q C -0.599 175.391 176.000 -0.016 0.000 1.041 319 Q CA -0.832 54.965 55.803 -0.011 0.000 0.928 319 Q CB 2.341 30.992 28.738 -0.146 0.000 1.302 319 Q HN 0.181 nan 8.270 nan 0.000 0.504 320 T N -0.565 113.973 114.554 -0.028 0.000 2.916 320 T HA 0.504 4.854 4.350 0.000 0.000 0.305 320 T C -1.442 173.258 174.700 0.000 0.000 1.119 320 T CA -0.456 61.632 62.100 -0.021 0.000 1.008 320 T CB 1.587 70.481 68.868 0.045 0.000 1.129 320 T HN 0.405 nan 8.240 nan 0.000 0.480 321 S N 1.889 117.601 115.700 0.021 0.000 2.502 321 S HA 0.746 5.216 4.470 0.000 0.000 0.304 321 S C -0.263 174.447 174.600 0.184 0.000 1.097 321 S CA -0.650 57.604 58.200 0.090 0.000 1.045 321 S CB 1.273 64.514 63.200 0.068 0.000 1.019 321 S HN 0.874 nan 8.310 nan 0.000 0.481 322 V N 1.092 121.083 119.914 0.127 0.000 3.113 322 V HA 0.964 5.084 4.120 0.000 0.000 0.316 322 V C -0.645 175.425 176.094 -0.040 0.000 1.125 322 V CA -0.773 61.505 62.300 -0.036 0.000 1.026 322 V CB 1.805 33.557 31.823 -0.119 0.000 1.080 322 V HN 0.578 nan 8.190 nan 0.000 0.444 323 V N 2.099 121.841 119.914 -0.288 0.000 2.686 323 V HA 0.612 4.732 4.120 0.000 0.000 0.306 323 V C -1.637 174.221 176.094 -0.394 0.000 1.065 323 V CA -0.442 61.675 62.300 -0.304 0.000 0.894 323 V CB 1.906 33.522 31.823 -0.346 0.000 1.004 323 V HN 0.875 nan 8.190 nan 0.000 0.424 324 Y N 4.147 124.320 120.300 -0.213 0.000 2.341 324 Y HA 0.500 5.051 4.550 0.000 0.000 0.340 324 Y C 0.654 176.445 175.900 -0.180 0.000 0.997 324 Y CA -0.283 57.612 58.100 -0.341 0.000 1.149 324 Y CB 1.237 39.354 38.460 -0.572 0.000 1.171 324 Y HN 0.586 nan 8.280 nan 0.000 0.494 325 E N 3.332 123.479 120.200 -0.089 0.000 2.200 325 E HA 0.227 4.577 4.350 0.000 0.000 0.283 325 E C -1.508 174.980 176.600 -0.186 0.000 1.015 325 E CA -0.541 55.830 56.400 -0.048 0.000 0.819 325 E CB 0.782 30.492 29.700 0.017 0.000 1.081 325 E HN 0.476 nan 8.360 nan 0.000 0.397 326 Y N 3.096 123.359 120.300 -0.062 0.000 2.335 326 Y HA 0.281 4.831 4.550 0.000 0.000 0.338 326 Y C -2.149 173.696 175.900 -0.091 0.000 0.977 326 Y CA -3.184 54.897 58.100 -0.032 0.000 1.114 326 Y CB 1.041 39.501 38.460 -0.000 0.000 1.182 326 Y HN 0.416 nan 8.280 nan 0.000 0.463 327 P HA 0.161 nan 4.420 nan 0.000 0.267 327 P C -0.397 176.929 177.300 0.043 0.000 1.205 327 P CA -0.019 63.079 63.100 -0.003 0.000 0.765 327 P CB 0.717 32.377 31.700 -0.066 0.000 0.828 328 R N 2.075 122.601 120.500 0.042 0.000 2.854 328 R HA 0.610 4.950 4.340 0.000 0.000 0.271 328 R C 0.692 177.026 176.300 0.057 0.000 0.994 328 R CA -0.915 55.213 56.100 0.047 0.000 0.945 328 R CB 1.959 32.283 30.300 0.041 0.000 1.194 328 R HN 0.367 nan 8.270 nan 0.000 0.476 329 A N 0.944 123.797 122.820 0.056 0.000 1.997 329 A HA 0.055 4.375 4.320 0.000 0.000 0.212 329 A C 0.480 178.105 177.584 0.070 0.000 1.178 329 A CA 0.863 52.944 52.037 0.073 0.000 0.698 329 A CB 0.166 19.208 19.000 0.071 0.000 0.842 329 A HN 0.577 nan 8.150 nan 0.000 0.458 330 E N -1.717 118.511 120.200 0.048 0.000 2.227 330 E HA 0.555 4.905 4.350 0.000 0.000 0.268 330 E C 0.253 176.865 176.600 0.020 0.000 0.990 330 E CA 0.808 57.228 56.400 0.033 0.000 0.856 330 E CB 1.506 31.220 29.700 0.023 0.000 1.159 330 E HN 0.753 nan 8.360 nan 0.000 0.401 331 G N 1.932 110.730 108.800 -0.003 0.000 2.343 331 G HA2 -0.093 3.867 3.960 0.000 0.000 0.562 331 G HA3 -0.093 3.867 3.960 0.000 0.000 0.562 331 G C -1.326 173.501 174.900 -0.121 0.000 1.269 331 G CA -0.848 44.234 45.100 -0.029 0.000 1.011 331 G HN 0.520 nan 8.290 nan 0.000 0.498 332 D N 2.356 122.632 120.400 -0.206 0.000 2.455 332 D HA 0.411 5.052 4.640 0.000 0.000 0.241 332 D C -1.679 174.166 176.300 -0.758 0.000 1.138 332 D CA -0.202 53.550 54.000 -0.414 0.000 0.877 332 D CB 1.039 41.616 40.800 -0.372 0.000 1.187 332 D HN 0.263 nan 8.370 nan 0.000 0.451 333 P HA 0.049 nan 4.420 nan 0.000 0.271 333 P C -0.469 176.551 177.300 -0.467 0.000 1.233 333 P CA 0.361 63.123 63.100 -0.563 0.000 0.764 333 P CB 0.455 31.609 31.700 -0.909 0.000 0.825 334 Y N 1.446 121.725 120.300 -0.035 0.000 2.921 334 Y HA 0.194 4.744 4.550 0.000 0.000 0.246 334 Y C 0.488 176.193 175.900 -0.325 0.000 1.030 334 Y CA -0.283 57.684 58.100 -0.221 0.000 1.338 334 Y CB 0.351 38.607 38.460 -0.340 0.000 1.493 334 Y HN 0.137 nan 8.280 nan 0.000 0.452 335 Y N 2.200 122.598 120.300 0.163 0.000 2.356 335 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 335 Y C -2.634 173.283 175.900 0.030 0.000 0.958 335 Y CA -3.092 54.952 58.100 -0.093 0.000 1.196 335 Y CB 0.783 38.990 38.460 -0.422 0.000 1.137 335 Y HN -0.154 nan 8.280 nan 0.000 0.485 336 P HA 0.022 nan 4.420 nan 0.000 0.268 336 P C -0.674 176.614 177.300 -0.020 0.000 1.205 336 P CA -0.155 62.633 63.100 -0.520 0.000 0.771 336 P CB 0.829 31.854 31.700 -1.126 0.000 0.858 337 V N 5.564 125.513 119.914 0.059 0.000 2.284 337 V HA 0.200 4.320 4.120 0.000 0.000 0.260 337 V C -2.088 174.015 176.094 0.014 0.000 1.084 337 V CA -1.717 60.684 62.300 0.169 0.000 0.894 337 V CB 0.488 32.462 31.823 0.252 0.000 1.119 337 V HN 0.482 nan 8.190 nan 0.000 0.484 338 P HA 0.292 nan 4.420 nan 0.000 0.271 338 P C -0.346 176.920 177.300 -0.057 0.000 1.380 338 P CA 0.028 63.097 63.100 -0.051 0.000 0.992 338 P CB 0.074 31.731 31.700 -0.072 0.000 1.230 339 R N 2.772 123.282 120.500 0.016 0.000 2.566 339 R HA 0.431 4.771 4.340 0.000 0.000 0.271 339 R C -2.769 173.556 176.300 0.042 0.000 1.071 339 R CA -2.017 54.088 56.100 0.008 0.000 0.915 339 R CB 0.370 30.668 30.300 -0.003 0.000 1.228 339 R HN -0.067 nan 8.270 nan 0.000 0.449 340 P HA -0.392 nan 4.420 nan 0.000 0.224 340 P C 1.006 178.332 177.300 0.044 0.000 1.130 340 P CA 2.299 65.418 63.100 0.032 0.000 0.976 340 P CB 0.064 31.774 31.700 0.017 0.000 0.781 341 E N -1.516 118.710 120.200 0.043 0.000 2.409 341 E HA -0.188 4.162 4.350 0.000 0.000 0.198 341 E C 1.163 177.802 176.600 0.065 0.000 1.024 341 E CA 1.204 57.632 56.400 0.046 0.000 0.861 341 E CB -0.685 29.041 29.700 0.043 0.000 0.788 341 E HN 0.283 nan 8.360 nan 0.000 0.521 342 N N 1.443 120.196 118.700 0.090 0.000 2.349 342 N HA 0.074 4.814 4.740 0.000 0.000 0.180 342 N C 1.876 177.466 175.510 0.133 0.000 1.024 342 N CA 1.633 54.752 53.050 0.114 0.000 0.869 342 N CB -0.580 38.020 38.487 0.189 0.000 1.022 342 N HN 0.279 nan 8.380 nan 0.000 0.433 343 A N 1.242 124.164 122.820 0.170 0.000 1.986 343 A HA -0.174 4.146 4.320 0.000 0.000 0.220 343 A C 2.043 179.723 177.584 0.159 0.000 1.171 343 A CA 1.548 53.708 52.037 0.206 0.000 0.640 343 A CB -0.476 18.615 19.000 0.152 0.000 0.811 343 A HN 0.345 nan 8.150 nan 0.000 0.451 344 E N -1.240 119.012 120.200 0.086 0.000 2.158 344 E HA -0.068 4.283 4.350 0.000 0.000 0.191 344 E C 1.863 178.466 176.600 0.005 0.000 0.982 344 E CA 0.721 57.138 56.400 0.030 0.000 0.823 344 E CB -0.095 29.610 29.700 0.007 0.000 0.766 344 E HN 0.516 nan 8.360 nan 0.000 0.468 345 L N 0.292 121.542 121.223 0.044 0.000 2.093 345 L HA -0.160 4.180 4.340 0.000 0.000 0.208 345 L C 2.122 179.078 176.870 0.143 0.000 1.085 345 L CA 1.608 56.489 54.840 0.068 0.000 0.755 345 L CB -0.545 41.585 42.059 0.118 0.000 0.904 345 L HN 0.158 nan 8.230 nan 0.000 0.435 346 Y N 0.319 120.620 120.300 0.002 0.000 2.242 346 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 346 Y C 2.387 178.340 175.900 0.088 0.000 1.137 346 Y CA 1.782 59.902 58.100 0.034 0.000 1.181 346 Y CB -0.265 38.136 38.460 -0.099 0.000 0.989 346 Y HN 0.151 nan 8.280 nan 0.000 0.527 347 K N 0.501 120.795 120.400 -0.177 0.000 2.089 347 K HA -0.256 4.064 4.320 0.000 0.000 0.210 347 K C 2.012 178.440 176.600 -0.287 0.000 1.048 347 K CA 2.302 58.432 56.287 -0.261 0.000 0.926 347 K CB -0.144 32.291 32.500 -0.107 0.000 0.714 347 K HN 0.399 nan 8.250 nan 0.000 0.448 348 K N -0.286 119.966 120.400 -0.246 0.000 2.026 348 K HA -0.180 4.140 4.320 0.000 0.000 0.208 348 K C 2.157 178.634 176.600 -0.205 0.000 1.048 348 K CA 1.764 57.844 56.287 -0.345 0.000 0.929 348 K CB -0.312 31.799 32.500 -0.649 0.000 0.713 348 K HN 0.216 nan 8.250 nan 0.000 0.439 349 Y N 1.477 121.747 120.300 -0.051 0.000 2.242 349 Y HA -0.175 4.376 4.550 0.000 0.000 0.291 349 Y C 2.584 178.304 175.900 -0.301 0.000 1.137 349 Y CA 1.188 59.239 58.100 -0.082 0.000 1.181 349 Y CB -0.080 38.437 38.460 0.095 0.000 0.989 349 Y HN 0.206 nan 8.280 nan 0.000 0.527 350 E N 0.388 120.340 120.200 -0.413 0.000 2.097 350 E HA -0.284 4.066 4.350 0.000 0.000 0.196 350 E C 2.331 178.761 176.600 -0.284 0.000 1.000 350 E CA 1.106 57.213 56.400 -0.489 0.000 0.804 350 E CB -0.185 29.068 29.700 -0.745 0.000 0.740 350 E HN 0.450 nan 8.360 nan 0.000 0.454 351 A N 1.087 123.753 122.820 -0.256 0.000 1.883 351 A HA -0.187 4.134 4.320 0.000 0.000 0.217 351 A C 2.215 179.671 177.584 -0.214 0.000 1.186 351 A CA 1.480 53.400 52.037 -0.196 0.000 0.624 351 A CB -0.769 18.122 19.000 -0.182 0.000 0.822 351 A HN 0.324 nan 8.150 nan 0.000 0.444 352 L N -0.923 120.109 121.223 -0.319 0.000 2.131 352 L HA -0.169 4.171 4.340 0.000 0.000 0.210 352 L C 3.049 179.702 176.870 -0.361 0.000 1.092 352 L CA 0.839 55.378 54.840 -0.503 0.000 0.759 352 L CB -0.757 40.616 42.059 -1.144 0.000 0.903 352 L HN 0.466 nan 8.230 nan 0.000 0.435 353 A N 0.605 123.226 122.820 -0.332 0.000 1.835 353 A HA -0.237 4.083 4.320 0.000 0.000 0.215 353 A C 1.932 179.390 177.584 -0.210 0.000 1.199 353 A CA 2.002 53.738 52.037 -0.502 0.000 0.615 353 A CB -0.677 17.873 19.000 -0.749 0.000 0.838 353 A HN 0.354 nan 8.150 nan 0.000 0.444 354 D N 0.259 120.581 120.400 -0.129 0.000 2.203 354 D HA -0.135 4.505 4.640 0.000 0.000 0.199 354 D C 1.930 178.245 176.300 0.024 0.000 0.997 354 D CA 1.615 55.605 54.000 -0.016 0.000 0.863 354 D CB -0.442 40.343 40.800 -0.026 0.000 0.928 354 D HN 0.473 nan 8.370 nan 0.000 0.458 355 A N 0.336 123.153 122.820 -0.006 0.000 2.167 355 A HA 0.297 4.617 4.320 0.000 0.000 0.214 355 A C 1.279 178.922 177.584 0.098 0.000 1.151 355 A CA 0.632 52.684 52.037 0.025 0.000 0.735 355 A CB -0.169 18.817 19.000 -0.024 0.000 0.802 355 A HN 0.207 nan 8.150 nan 0.000 0.467 356 A N -0.594 122.329 122.820 0.172 0.000 2.363 356 A HA 0.498 4.818 4.320 0.000 0.000 0.270 356 A C 0.777 178.487 177.584 0.210 0.000 1.121 356 A CA -0.327 51.868 52.037 0.263 0.000 0.800 356 A CB 0.386 19.660 19.000 0.456 0.000 1.052 356 A HN 0.245 nan 8.150 nan 0.000 0.493 357 Q N 0.372 120.276 119.800 0.174 0.000 2.378 357 Q HA 0.088 4.428 4.340 0.000 0.000 0.216 357 Q C -0.222 175.876 176.000 0.163 0.000 0.892 357 Q CA 0.851 56.745 55.803 0.151 0.000 0.931 357 Q CB 0.718 29.525 28.738 0.115 0.000 1.086 357 Q HN 0.819 nan 8.270 nan 0.000 0.528 358 D N -0.014 120.449 120.400 0.104 0.000 2.599 358 D HA 0.171 4.811 4.640 0.000 0.000 0.249 358 D C -0.723 175.322 176.300 -0.424 0.000 1.313 358 D CA 0.114 54.084 54.000 -0.050 0.000 0.815 358 D CB 1.810 42.626 40.800 0.027 0.000 1.077 358 D HN -0.140 nan 8.370 nan 0.000 0.492 359 V N 1.099 120.937 119.914 -0.126 0.000 2.444 359 V HA 0.316 4.436 4.120 0.000 0.000 0.294 359 V C 0.132 176.248 176.094 0.035 0.000 1.022 359 V CA -0.344 61.861 62.300 -0.158 0.000 0.850 359 V CB 2.105 33.883 31.823 -0.075 0.000 0.992 359 V HN -0.071 nan 8.190 nan 0.000 0.426 360 T N 5.682 120.238 114.554 0.005 0.000 2.758 360 T HA 0.608 4.959 4.350 0.000 0.000 0.285 360 T C -0.626 174.113 174.700 0.064 0.000 0.981 360 T CA -0.104 62.119 62.100 0.206 0.000 0.965 360 T CB 0.432 69.478 68.868 0.297 0.000 0.927 360 T HN 0.267 nan 8.240 nan 0.000 0.448 361 F N 2.879 122.868 119.950 0.065 0.000 2.405 361 F HA 0.637 5.164 4.527 0.000 0.000 0.355 361 F C 0.344 176.201 175.800 0.095 0.000 1.121 361 F CA -0.923 57.120 58.000 0.071 0.000 1.112 361 F CB 1.199 40.256 39.000 0.095 0.000 1.126 361 F HN 0.247 nan 8.300 nan 0.000 0.481 362 V N 2.659 122.679 119.914 0.177 0.000 2.969 362 V HA 0.949 5.069 4.120 0.000 0.000 0.304 362 V C -0.605 175.541 176.094 0.087 0.000 1.192 362 V CA 0.180 62.564 62.300 0.140 0.000 0.962 362 V CB 1.499 33.376 31.823 0.090 0.000 1.045 362 V HN 1.221 nan 8.190 nan 0.000 0.428 363 G N 5.451 114.328 108.800 0.128 0.000 2.362 363 G HA2 0.047 4.007 3.960 0.000 0.000 0.656 363 G HA3 0.047 4.007 3.960 0.000 0.000 0.656 363 G C 0.022 175.048 174.900 0.210 0.000 1.376 363 G CA 0.035 45.207 45.100 0.120 0.000 0.971 363 G HN 1.717 nan 8.290 nan 0.000 0.636 364 R N -0.172 120.462 120.500 0.224 0.000 2.127 364 R HA 0.042 4.382 4.340 0.000 0.000 0.238 364 R C 1.912 178.336 176.300 0.207 0.000 1.134 364 R CA 1.849 58.103 56.100 0.257 0.000 0.975 364 R CB -0.264 30.178 30.300 0.236 0.000 0.865 364 R HN 0.433 nan 8.270 nan 0.000 0.447 365 L N 0.308 121.628 121.223 0.162 0.000 2.202 365 L HA 0.149 4.489 4.340 0.000 0.000 0.205 365 L C 2.663 179.683 176.870 0.251 0.000 1.083 365 L CA 0.816 55.765 54.840 0.182 0.000 0.790 365 L CB -0.328 41.735 42.059 0.006 0.000 0.942 365 L HN 0.343 nan 8.230 nan 0.000 0.452 366 A N -0.377 122.567 122.820 0.207 0.000 2.119 366 A HA -0.095 4.225 4.320 0.000 0.000 0.216 366 A C 1.969 179.795 177.584 0.404 0.000 1.152 366 A CA 1.663 53.906 52.037 0.343 0.000 0.708 366 A CB -0.480 18.694 19.000 0.289 0.000 0.805 366 A HN 0.465 nan 8.150 nan 0.000 0.460 367 T N -7.383 107.342 114.554 0.284 0.000 3.091 367 T HA 0.169 4.519 4.350 0.000 0.000 0.277 367 T C 0.357 174.945 174.700 -0.186 0.000 0.996 367 T CA 0.177 62.399 62.100 0.203 0.000 0.897 367 T CB -0.477 68.563 68.868 0.286 0.000 1.109 367 T HN 0.639 nan 8.240 nan 0.000 0.534 368 Y N 1.968 122.127 120.300 -0.235 0.000 3.225 368 Y HA -0.269 4.281 4.550 0.000 0.000 0.211 368 Y C -0.034 175.691 175.900 -0.291 0.000 1.223 368 Y CA 0.113 58.023 58.100 -0.317 0.000 1.284 368 Y CB -1.695 36.368 38.460 -0.662 0.000 1.367 368 Y HN 0.443 nan 8.280 nan 0.000 0.566 369 R N 0.430 120.807 120.500 -0.204 0.000 2.664 369 R HA 0.317 4.657 4.340 0.000 0.000 0.286 369 R C -0.776 175.410 176.300 -0.191 0.000 0.967 369 R CA -1.024 54.869 56.100 -0.344 0.000 0.933 369 R CB 0.848 30.720 30.300 -0.712 0.000 1.146 369 R HN 0.156 nan 8.270 nan 0.000 0.468 370 Y N 3.596 123.716 120.300 -0.300 0.000 2.636 370 Y HA 0.176 4.726 4.550 0.000 0.000 0.334 370 Y C -1.332 174.542 175.900 -0.043 0.000 1.286 370 Y CA -0.901 57.163 58.100 -0.060 0.000 1.688 370 Y CB -0.432 38.053 38.460 0.042 0.000 1.662 370 Y HN 0.374 nan 8.280 nan 0.000 0.465 371 Y N 2.962 123.453 120.300 0.318 0.000 2.342 371 Y HA 0.285 4.835 4.550 0.000 0.000 0.334 371 Y C 0.657 176.651 175.900 0.156 0.000 1.067 371 Y CA -1.236 56.967 58.100 0.171 0.000 1.128 371 Y CB 0.716 39.242 38.460 0.110 0.000 1.200 371 Y HN 0.414 nan 8.280 nan 0.000 0.464 372 N N 2.537 121.402 118.700 0.275 0.000 2.326 372 N HA 0.090 4.831 4.740 0.000 0.000 0.239 372 N C 1.238 176.724 175.510 -0.039 0.000 1.301 372 N CA 0.018 53.116 53.050 0.080 0.000 0.909 372 N CB 0.491 38.918 38.487 -0.101 0.000 1.156 372 N HN 0.724 nan 8.380 nan 0.000 0.462 373 M N 0.356 119.869 119.600 -0.145 0.000 2.065 373 M HA -0.211 4.269 4.480 0.000 0.000 0.259 373 M C 1.538 177.620 176.300 -0.363 0.000 1.071 373 M CA 1.641 56.746 55.300 -0.324 0.000 1.109 373 M CB -0.410 32.007 32.600 -0.305 0.000 1.313 373 M HN 0.584 nan 8.290 nan 0.000 0.408 374 D N -0.011 120.189 120.400 -0.333 0.000 2.123 374 D HA -0.239 4.401 4.640 0.000 0.000 0.196 374 D C 1.692 177.885 176.300 -0.177 0.000 0.992 374 D CA 1.643 55.524 54.000 -0.197 0.000 0.833 374 D CB -0.778 39.801 40.800 -0.367 0.000 0.954 374 D HN 0.514 nan 8.370 nan 0.000 0.455 375 Q N 0.203 119.876 119.800 -0.212 0.000 2.061 375 Q HA -0.098 4.242 4.340 0.000 0.000 0.204 375 Q C 2.672 178.477 176.000 -0.325 0.000 0.984 375 Q CA 1.471 57.130 55.803 -0.239 0.000 0.846 375 Q CB -0.065 28.564 28.738 -0.182 0.000 0.902 375 Q HN 0.225 nan 8.270 nan 0.000 0.421 376 V N 0.189 119.944 119.914 -0.266 0.000 2.407 376 V HA -0.212 3.908 4.120 0.000 0.000 0.248 376 V C 2.226 178.263 176.094 -0.095 0.000 1.055 376 V CA 1.237 63.424 62.300 -0.189 0.000 1.049 376 V CB -0.363 31.441 31.823 -0.032 0.000 0.662 376 V HN 0.196 nan 8.190 nan 0.000 0.455 377 V N 0.232 120.100 119.914 -0.077 0.000 2.392 377 V HA -0.298 3.822 4.120 0.000 0.000 0.249 377 V C 2.606 178.662 176.094 -0.063 0.000 1.059 377 V CA 2.190 64.496 62.300 0.009 0.000 1.051 377 V CB -0.912 30.965 31.823 0.090 0.000 0.658 377 V HN 0.583 nan 8.190 nan 0.000 0.455 378 A N -0.849 121.917 122.820 -0.090 0.000 1.854 378 A HA -0.252 4.068 4.320 0.000 0.000 0.214 378 A C 2.223 179.748 177.584 -0.098 0.000 1.192 378 A CA 1.645 53.626 52.037 -0.093 0.000 0.611 378 A CB -0.601 18.349 19.000 -0.082 0.000 0.832 378 A HN 0.571 nan 8.150 nan 0.000 0.442 379 Q N -0.337 119.375 119.800 -0.146 0.000 2.217 379 Q HA -0.204 4.136 4.340 0.000 0.000 0.209 379 Q C 1.899 177.872 176.000 -0.046 0.000 0.988 379 Q CA 1.954 57.686 55.803 -0.118 0.000 0.878 379 Q CB -0.317 28.292 28.738 -0.214 0.000 0.909 379 Q HN 0.610 nan 8.270 nan 0.000 0.424 380 A N -0.069 122.722 122.820 -0.049 0.000 1.975 380 A HA 0.041 4.361 4.320 0.000 0.000 0.215 380 A C 1.863 179.435 177.584 -0.020 0.000 1.170 380 A CA 0.453 52.478 52.037 -0.020 0.000 0.656 380 A CB -0.176 18.817 19.000 -0.012 0.000 0.821 380 A HN 0.424 nan 8.150 nan 0.000 0.449 381 L N -0.951 120.229 121.223 -0.072 0.000 2.313 381 L HA -0.023 4.317 4.340 0.000 0.000 0.214 381 L C 2.846 179.742 176.870 0.044 0.000 1.119 381 L CA 0.690 55.492 54.840 -0.063 0.000 0.809 381 L CB -0.298 41.647 42.059 -0.189 0.000 0.933 381 L HN 0.423 nan 8.230 nan 0.000 0.449 382 A N -0.397 122.434 122.820 0.018 0.000 1.898 382 A HA -0.120 4.200 4.320 0.000 0.000 0.214 382 A C 2.337 179.947 177.584 0.044 0.000 1.183 382 A CA 1.803 53.858 52.037 0.030 0.000 0.622 382 A CB -0.678 18.332 19.000 0.016 0.000 0.824 382 A HN 0.269 nan 8.150 nan 0.000 0.444 383 T N -0.499 114.088 114.554 0.055 0.000 2.788 383 T HA -0.121 4.229 4.350 0.000 0.000 0.268 383 T C 1.562 176.301 174.700 0.066 0.000 1.044 383 T CA 1.603 63.741 62.100 0.063 0.000 1.139 383 T CB -0.384 68.528 68.868 0.073 0.000 0.867 383 T HN 0.493 nan 8.240 nan 0.000 0.454 384 F N 2.084 122.000 119.950 -0.056 0.000 2.075 384 F HA -0.025 4.502 4.527 0.000 0.000 0.297 384 F C 2.452 178.226 175.800 -0.044 0.000 1.113 384 F CA 1.258 59.214 58.000 -0.073 0.000 1.218 384 F CB -0.288 38.658 39.000 -0.089 0.000 0.984 384 F HN -0.122 nan 8.300 nan 0.000 0.472 385 R N -0.029 120.394 120.500 -0.129 0.000 2.117 385 R HA -0.178 4.163 4.340 0.000 0.000 0.243 385 R C 2.545 178.736 176.300 -0.182 0.000 1.143 385 R CA 1.622 57.599 56.100 -0.205 0.000 0.968 385 R CB -0.321 29.965 30.300 -0.024 0.000 0.863 385 R HN 0.325 nan 8.270 nan 0.000 0.444 386 R N 0.115 120.556 120.500 -0.099 0.000 2.061 386 R HA -0.117 4.223 4.340 0.000 0.000 0.230 386 R C 2.164 178.408 176.300 -0.093 0.000 1.140 386 R CA 1.186 57.249 56.100 -0.062 0.000 0.940 386 R CB -0.400 29.898 30.300 -0.004 0.000 0.839 386 R HN 0.063 nan 8.270 nan 0.000 0.429 387 L N 1.484 122.643 121.223 -0.106 0.000 2.151 387 L HA -0.286 4.054 4.340 0.000 0.000 0.215 387 L C 2.336 179.114 176.870 -0.153 0.000 1.084 387 L CA 1.797 56.571 54.840 -0.110 0.000 0.764 387 L CB -0.637 41.358 42.059 -0.107 0.000 0.891 387 L HN 0.304 nan 8.230 nan 0.000 0.435 388 Q N -1.762 117.877 119.800 -0.270 0.000 2.061 388 Q HA 0.239 4.580 4.340 0.000 0.000 0.195 388 Q C 0.982 176.902 176.000 -0.133 0.000 0.967 388 Q CA 1.002 56.664 55.803 -0.234 0.000 0.829 388 Q CB 0.193 28.702 28.738 -0.380 0.000 0.900 388 Q HN 0.528 nan 8.270 nan 0.000 0.450 389 G N 0.000 108.725 108.800 -0.124 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925