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 2h47_1_A DATA FIRST_RESID 28 DATA SEQUENCE KPREVLTGGH SVSAPQENRI YVMDSVFMHL TESRVHVYDY TNGKFLGMVP DATA SEQUENCE TAFNGHVQVS NDGKKIYTMT TYHERITRGK RSDVVEVWDA DKLTFEKEIS DATA SEQUENCE LPPKRVQGLN YDGLFRQTTD GKFIVLQNAS PATSIGIVDV AKGDYVEDVT DATA SEQUENCE AAAGcWSVIP QPNRPRSFMT IcGDGGLLTI NLGEDGKVAS QSRSKQMFSV DATA SEQUENCE KDDPIFIAPA LDKDKAHFVS YYGNVYSADF SGDEVKVDGP WSLLNDEDKA DATA SEQUENCE KNWVPGGYNL VGLHRASGRM YVFMHPDGKE GTHKFPAAEI WVMDTKTKQR DATA SEQUENCE VARIPGRDAL SMTIDQQRNL MLTLDGGNVN VYDISQPEPK LLRTIEGAAE DATA SEQUENCE ASLQVQFHPV 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.603 176.600 0.005 0.000 0.988 28 K CA 0.000 56.290 56.287 0.005 0.000 0.838 28 K CB 0.000 32.502 32.500 0.004 0.000 1.064 29 P HA 0.300 nan 4.420 nan 0.000 0.276 29 P C 0.677 177.981 177.300 0.007 0.000 1.235 29 P CA -0.346 62.758 63.100 0.007 0.000 0.772 29 P CB 1.460 33.165 31.700 0.008 0.000 0.871 30 R N 1.205 121.709 120.500 0.006 0.000 2.070 30 R HA -0.055 4.285 4.340 -0.000 0.000 0.233 30 R C 0.639 176.944 176.300 0.008 0.000 1.137 30 R CA 1.270 57.374 56.100 0.006 0.000 0.945 30 R CB 0.228 30.531 30.300 0.005 0.000 0.845 30 R HN 0.663 nan 8.270 nan 0.000 0.430 31 E N -0.512 119.693 120.200 0.009 0.000 2.222 31 E HA 0.376 4.726 4.350 -0.000 0.000 0.267 31 E C -1.348 175.261 176.600 0.015 0.000 0.963 31 E CA -0.717 55.690 56.400 0.011 0.000 0.837 31 E CB 2.719 32.424 29.700 0.009 0.000 1.183 31 E HN -0.147 nan 8.360 nan 0.000 0.403 32 V N 2.613 122.539 119.914 0.021 0.000 2.567 32 V HA 0.094 4.213 4.120 -0.000 0.000 0.298 32 V C -0.799 175.317 176.094 0.037 0.000 1.047 32 V CA -0.810 61.506 62.300 0.026 0.000 0.880 32 V CB 1.581 33.419 31.823 0.025 0.000 1.009 32 V HN 0.521 nan 8.190 nan 0.000 0.429 33 L N 6.031 127.276 121.223 0.037 0.000 2.559 33 L HA 0.518 4.857 4.340 -0.000 0.000 0.274 33 L C 0.545 177.457 176.870 0.071 0.000 1.205 33 L CA 1.263 56.133 54.840 0.050 0.000 0.907 33 L CB 0.719 42.803 42.059 0.041 0.000 1.153 33 L HN 0.966 nan 8.230 nan 0.000 0.490 34 T N 1.972 116.598 114.554 0.120 0.000 2.906 34 T HA 0.916 5.266 4.350 -0.000 0.000 0.295 34 T C -0.096 174.748 174.700 0.240 0.000 1.061 34 T CA -0.213 61.980 62.100 0.155 0.000 1.000 34 T CB 1.626 70.602 68.868 0.179 0.000 1.103 34 T HN 0.816 nan 8.240 nan 0.000 0.486 35 G N -1.081 107.770 108.800 0.084 0.000 3.251 35 G HA2 0.634 4.593 3.960 -0.000 0.000 0.248 35 G HA3 0.634 4.593 3.960 -0.000 0.000 0.248 35 G C 0.734 175.492 174.900 -0.238 0.000 1.320 35 G CA -0.528 44.612 45.100 0.067 0.000 0.982 35 G HN 1.999 nan 8.290 nan 0.000 0.575 36 G N -1.288 107.443 108.800 -0.115 0.000 2.148 36 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 36 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 36 G C 0.315 175.093 174.900 -0.203 0.000 0.981 36 G CA 0.504 45.513 45.100 -0.152 0.000 0.670 36 G HN 0.806 nan 8.290 nan 0.000 0.528 37 H N 0.485 119.576 119.070 0.034 0.000 2.562 37 H HA 0.509 5.065 4.556 -0.000 0.000 0.352 37 H C 0.475 175.821 175.328 0.030 0.000 1.125 37 H CA 0.502 56.566 56.048 0.027 0.000 1.379 37 H CB 1.349 31.125 29.762 0.022 0.000 1.464 37 H HN 0.209 nan 8.280 nan 0.000 0.563 38 S N 0.896 116.682 115.700 0.143 0.000 2.632 38 S HA 0.144 4.614 4.470 -0.000 0.000 0.271 38 S C 0.317 174.956 174.600 0.065 0.000 1.260 38 S CA -0.906 57.345 58.200 0.086 0.000 1.010 38 S CB 1.345 64.580 63.200 0.057 0.000 0.965 38 S HN 0.311 nan 8.310 nan 0.000 0.534 39 V N 3.366 123.304 119.914 0.039 0.000 2.644 39 V HA -0.052 4.068 4.120 -0.000 0.000 0.305 39 V C 1.720 177.805 176.094 -0.015 0.000 1.053 39 V CA 0.751 63.050 62.300 -0.001 0.000 1.186 39 V CB 0.447 32.260 31.823 -0.016 0.000 0.895 39 V HN 1.151 nan 8.190 nan 0.000 0.490 40 S N 3.910 119.591 115.700 -0.032 0.000 2.382 40 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 40 S C 0.977 175.549 174.600 -0.046 0.000 1.027 40 S CA 0.591 58.770 58.200 -0.035 0.000 0.991 40 S CB -0.106 63.068 63.200 -0.043 0.000 0.823 40 S HN 1.157 nan 8.310 nan 0.000 0.469 41 A N 3.530 126.310 122.820 -0.066 0.000 2.310 41 A HA 0.646 4.966 4.320 -0.000 0.000 0.299 41 A C -2.354 175.182 177.584 -0.081 0.000 1.147 41 A CA -2.137 49.854 52.037 -0.077 0.000 0.818 41 A CB 0.202 19.143 19.000 -0.098 0.000 1.096 41 A HN 0.382 nan 8.150 nan 0.000 0.495 42 P HA 0.025 nan 4.420 nan 0.000 0.268 42 P C 0.265 177.493 177.300 -0.120 0.000 1.205 42 P CA 0.122 63.172 63.100 -0.084 0.000 0.771 42 P CB 0.678 32.341 31.700 -0.061 0.000 0.858 43 Q N 1.981 121.663 119.800 -0.196 0.000 2.082 43 Q HA -0.261 4.078 4.340 -0.000 0.000 0.211 43 Q C 1.894 177.796 176.000 -0.163 0.000 1.002 43 Q CA 2.495 58.050 55.803 -0.413 0.000 0.868 43 Q CB -0.444 27.876 28.738 -0.698 0.000 0.931 43 Q HN 0.658 nan 8.270 nan 0.000 0.414 44 E N 0.285 120.461 120.200 -0.040 0.000 2.339 44 E HA -0.216 4.134 4.350 -0.000 0.000 0.201 44 E C 1.103 177.811 176.600 0.181 0.000 1.015 44 E CA 1.358 57.818 56.400 0.101 0.000 0.841 44 E CB -0.178 29.563 29.700 0.068 0.000 0.754 44 E HN 0.312 nan 8.360 nan 0.000 0.508 45 N N 0.210 118.932 118.700 0.036 0.000 2.356 45 N HA 0.065 4.804 4.740 -0.000 0.000 0.178 45 N C -0.197 175.333 175.510 0.033 0.000 1.075 45 N CA 0.133 53.122 53.050 -0.101 0.000 0.889 45 N CB 0.342 38.709 38.487 -0.200 0.000 0.999 45 N HN 0.113 nan 8.380 nan 0.000 0.464 46 R N 0.849 121.395 120.500 0.077 0.000 2.490 46 R HA 0.461 4.801 4.340 -0.000 0.000 0.278 46 R C 0.213 176.544 176.300 0.053 0.000 1.069 46 R CA -0.179 55.924 56.100 0.004 0.000 1.080 46 R CB 1.000 31.263 30.300 -0.061 0.000 1.030 46 R HN 0.144 nan 8.270 nan 0.000 0.491 47 I N -1.896 118.541 120.570 -0.222 0.000 2.969 47 I HA 0.493 4.662 4.170 -0.000 0.000 0.307 47 I C -1.424 174.369 176.117 -0.540 0.000 1.149 47 I CA -1.406 59.743 61.300 -0.251 0.000 1.008 47 I CB 2.064 39.892 38.000 -0.288 0.000 1.232 47 I HN 0.395 nan 8.210 nan 0.000 0.435 48 Y N 2.894 123.190 120.300 -0.007 0.000 2.331 48 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 48 Y C -0.437 175.473 175.900 0.017 0.000 0.960 48 Y CA -0.981 57.130 58.100 0.018 0.000 1.130 48 Y CB 2.160 40.617 38.460 -0.006 0.000 1.164 48 Y HN 0.283 nan 8.280 nan 0.000 0.458 49 V N 5.041 125.048 119.914 0.156 0.000 2.350 49 V HA 0.259 4.379 4.120 -0.000 0.000 0.276 49 V C -0.074 176.058 176.094 0.063 0.000 1.028 49 V CA -0.743 61.629 62.300 0.120 0.000 0.860 49 V CB 1.140 33.084 31.823 0.202 0.000 0.990 49 V HN 0.711 nan 8.190 nan 0.000 0.453 50 M N 4.745 124.348 119.600 0.004 0.000 2.135 50 M HA 0.350 4.830 4.480 -0.000 0.000 0.345 50 M C -0.377 175.860 176.300 -0.105 0.000 1.340 50 M CA -0.212 55.047 55.300 -0.068 0.000 1.162 50 M CB 0.160 32.709 32.600 -0.085 0.000 1.570 50 M HN 0.579 nan 8.290 nan 0.000 0.454 51 D N 2.355 122.661 120.400 -0.158 0.000 2.411 51 D HA 0.148 4.788 4.640 -0.000 0.000 0.225 51 D C 0.856 177.091 176.300 -0.108 0.000 1.156 51 D CA 0.185 54.108 54.000 -0.129 0.000 0.874 51 D CB 0.987 41.668 40.800 -0.199 0.000 1.034 51 D HN 0.763 nan 8.370 nan 0.000 0.502 52 S N 2.199 117.848 115.700 -0.085 0.000 2.423 52 S HA -0.121 4.348 4.470 -0.000 0.000 0.231 52 S C 1.106 175.722 174.600 0.025 0.000 1.014 52 S CA 0.379 58.546 58.200 -0.057 0.000 0.965 52 S CB -0.316 62.846 63.200 -0.063 0.000 0.785 52 S HN 0.444 nan 8.310 nan 0.000 0.495 53 V N 2.076 122.017 119.914 0.045 0.000 5.830 53 V HA -0.227 3.893 4.120 -0.000 0.000 0.274 53 V C 0.877 177.040 176.094 0.115 0.000 0.632 53 V CA 0.916 63.267 62.300 0.085 0.000 0.594 53 V CB -2.931 28.945 31.823 0.090 0.000 0.249 53 V HN 0.616 nan 8.190 nan 0.000 0.697 54 F N 1.099 121.020 119.950 -0.050 0.000 2.147 54 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 54 F C 2.071 177.826 175.800 -0.075 0.000 1.084 54 F CA 2.630 60.599 58.000 -0.053 0.000 1.268 54 F CB 0.016 38.976 39.000 -0.067 0.000 1.009 54 F HN 0.372 nan 8.300 nan 0.000 0.486 55 M N -1.089 118.416 119.600 -0.157 0.000 2.358 55 M HA -0.156 4.323 4.480 -0.000 0.000 0.264 55 M C 0.245 176.109 176.300 -0.726 0.000 1.064 55 M CA 1.531 56.556 55.300 -0.458 0.000 1.093 55 M CB -1.012 31.331 32.600 -0.429 0.000 1.401 55 M HN 0.182 nan 8.290 nan 0.000 0.440 56 H N -0.945 118.087 119.070 -0.064 0.000 2.947 56 H HA 0.180 4.736 4.556 -0.000 0.000 0.222 56 H C 0.734 176.068 175.328 0.010 0.000 1.414 56 H CA -0.486 55.541 56.048 -0.035 0.000 1.224 56 H CB -0.087 29.669 29.762 -0.010 0.000 2.100 56 H HN 0.088 nan 8.280 nan 0.000 0.524 57 L N 1.977 123.242 121.223 0.071 0.000 2.563 57 L HA -0.131 4.209 4.340 -0.000 0.000 0.230 57 L C 2.127 179.168 176.870 0.286 0.000 1.162 57 L CA 1.956 56.887 54.840 0.150 0.000 0.812 57 L CB -0.396 41.762 42.059 0.166 0.000 0.935 57 L HN 0.421 nan 8.230 nan 0.000 0.451 58 T N -4.519 110.187 114.554 0.254 0.000 3.129 58 T HA 0.002 4.351 4.350 -0.000 0.000 0.251 58 T C 1.031 175.809 174.700 0.131 0.000 1.117 58 T CA 0.381 62.621 62.100 0.234 0.000 1.034 58 T CB -0.235 68.690 68.868 0.095 0.000 0.968 58 T HN 0.505 nan 8.240 nan 0.000 0.526 59 E N 1.960 122.226 120.200 0.111 0.000 4.044 59 E HA 0.238 4.588 4.350 -0.000 0.000 0.216 59 E C -0.469 176.160 176.600 0.049 0.000 1.104 59 E CA -0.387 56.054 56.400 0.070 0.000 1.383 59 E CB 0.458 30.195 29.700 0.061 0.000 1.195 59 E HN 0.567 nan 8.360 nan 0.000 0.442 60 S N 1.259 116.972 115.700 0.021 0.000 2.565 60 S HA 0.506 4.976 4.470 -0.000 0.000 0.276 60 S C 0.131 174.689 174.600 -0.069 0.000 1.326 60 S CA -0.766 57.416 58.200 -0.030 0.000 1.045 60 S CB 1.446 64.608 63.200 -0.063 0.000 0.918 60 S HN 0.388 nan 8.310 nan 0.000 0.505 61 R N 0.484 120.904 120.500 -0.132 0.000 2.817 61 R HA 0.630 4.970 4.340 -0.000 0.000 0.268 61 R C -2.010 174.122 176.300 -0.280 0.000 1.027 61 R CA -1.012 54.983 56.100 -0.174 0.000 0.928 61 R CB 0.546 30.780 30.300 -0.111 0.000 1.228 61 R HN 0.472 nan 8.270 nan 0.000 0.469 62 V N 2.578 122.363 119.914 -0.216 0.000 2.370 62 V HA 0.326 4.445 4.120 -0.000 0.000 0.283 62 V C -0.347 175.702 176.094 -0.073 0.000 1.023 62 V CA -0.738 61.474 62.300 -0.146 0.000 0.857 62 V CB 0.944 32.733 31.823 -0.057 0.000 0.985 62 V HN 0.568 nan 8.190 nan 0.000 0.443 63 H N 3.278 122.404 119.070 0.093 0.000 2.489 63 H HA 0.504 5.060 4.556 -0.000 0.000 0.322 63 H C -0.377 174.885 175.328 -0.110 0.000 1.091 63 H CA -0.533 55.557 56.048 0.069 0.000 1.291 63 H CB 1.882 31.845 29.762 0.334 0.000 1.436 63 H HN 0.381 nan 8.280 nan 0.000 0.480 64 V N 5.320 125.023 119.914 -0.351 0.000 2.394 64 V HA 0.248 4.368 4.120 -0.000 0.000 0.282 64 V C -0.513 175.172 176.094 -0.682 0.000 1.031 64 V CA -0.541 61.453 62.300 -0.509 0.000 0.881 64 V CB 0.302 31.851 31.823 -0.458 0.000 0.982 64 V HN 0.609 nan 8.190 nan 0.000 0.451 65 Y N 1.242 121.327 120.300 -0.359 0.000 2.602 65 Y HA 0.478 5.028 4.550 -0.000 0.000 0.342 65 Y C 0.010 175.798 175.900 -0.187 0.000 1.029 65 Y CA -0.990 56.976 58.100 -0.224 0.000 1.080 65 Y CB 1.773 40.170 38.460 -0.105 0.000 1.284 65 Y HN 0.513 nan 8.280 nan 0.000 0.485 66 D N 1.024 121.469 120.400 0.074 0.000 2.373 66 D HA 0.048 4.688 4.640 -0.000 0.000 0.227 66 D C 0.227 176.534 176.300 0.012 0.000 1.091 66 D CA -0.333 53.648 54.000 -0.031 0.000 0.840 66 D CB 0.677 41.438 40.800 -0.066 0.000 1.060 66 D HN 0.611 nan 8.370 nan 0.000 0.502 67 Y N 1.994 122.298 120.300 0.008 0.000 2.497 67 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 67 Y C 1.992 177.903 175.900 0.017 0.000 1.137 67 Y CA 1.360 59.457 58.100 -0.005 0.000 1.285 67 Y CB -0.851 37.609 38.460 0.001 0.000 0.991 67 Y HN 0.280 nan 8.280 nan 0.000 0.556 68 T N -0.989 113.322 114.554 -0.405 0.000 2.904 68 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 68 T C 1.073 175.724 174.700 -0.081 0.000 1.059 68 T CA 1.343 63.287 62.100 -0.259 0.000 1.137 68 T CB -0.561 68.101 68.868 -0.343 0.000 0.879 68 T HN 0.623 nan 8.240 nan 0.000 0.467 69 N N -0.218 118.445 118.700 -0.061 0.000 2.118 69 N HA 0.278 5.018 4.740 -0.000 0.000 0.226 69 N C 1.309 176.831 175.510 0.020 0.000 1.305 69 N CA 0.230 53.270 53.050 -0.017 0.000 0.890 69 N CB -0.078 38.395 38.487 -0.024 0.000 1.118 69 N HN 0.532 nan 8.380 nan 0.000 0.511 70 G N 0.762 109.587 108.800 0.043 0.000 2.168 70 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.257 70 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.257 70 G C -0.121 174.916 174.900 0.228 0.000 0.997 70 G CA 0.716 45.861 45.100 0.075 0.000 0.708 70 G HN 0.712 nan 8.290 nan 0.000 0.520 71 K N -0.285 120.229 120.400 0.191 0.000 2.298 71 K HA 0.498 4.817 4.320 -0.000 0.000 0.280 71 K C -0.075 176.631 176.600 0.178 0.000 1.032 71 K CA -0.924 55.467 56.287 0.173 0.000 0.958 71 K CB 0.201 32.733 32.500 0.053 0.000 0.978 71 K HN 0.062 nan 8.250 nan 0.000 0.472 72 F N 5.842 125.733 119.950 -0.097 0.000 2.438 72 F HA 0.155 4.682 4.527 -0.000 0.000 0.356 72 F C 0.295 175.912 175.800 -0.304 0.000 1.099 72 F CA -0.205 57.498 58.000 -0.496 0.000 1.185 72 F CB 0.491 39.241 39.000 -0.417 0.000 1.115 72 F HN 0.521 nan 8.300 nan 0.000 0.526 73 L N 5.088 125.797 121.223 -0.858 0.000 2.515 73 L HA 0.479 4.818 4.340 -0.000 0.000 0.223 73 L C 1.030 177.562 176.870 -0.564 0.000 1.079 73 L CA 0.392 54.920 54.840 -0.521 0.000 0.857 73 L CB -0.388 41.450 42.059 -0.368 0.000 1.050 73 L HN 0.862 nan 8.230 nan 0.000 0.476 74 G N 0.420 108.566 108.800 -1.090 0.000 2.352 74 G HA2 0.340 4.300 3.960 -0.000 0.000 0.283 74 G HA3 0.340 4.300 3.960 -0.000 0.000 0.283 74 G C -1.434 173.166 174.900 -0.500 0.000 1.308 74 G CA -0.229 44.528 45.100 -0.571 0.000 0.892 74 G HN -0.018 nan 8.290 nan 0.000 0.504 75 M N -2.163 117.388 119.600 -0.081 0.000 2.880 75 M HA 0.830 5.309 4.480 -0.000 0.000 0.269 75 M C -1.741 174.531 176.300 -0.046 0.000 1.248 75 M CA -1.095 54.219 55.300 0.024 0.000 0.821 75 M CB 2.132 34.904 32.600 0.285 0.000 1.650 75 M HN 0.887 nan 8.290 nan 0.000 0.479 76 V N 1.513 121.336 119.914 -0.152 0.000 2.532 76 V HA 0.514 4.634 4.120 -0.000 0.000 0.294 76 V C -2.487 173.413 176.094 -0.323 0.000 1.036 76 V CA -1.112 60.916 62.300 -0.453 0.000 0.876 76 V CB 1.959 33.312 31.823 -0.782 0.000 1.012 76 V HN 0.721 nan 8.190 nan 0.000 0.432 77 P HA 0.168 nan 4.420 nan 0.000 0.271 77 P C 0.295 177.564 177.300 -0.051 0.000 1.220 77 P CA 0.167 63.240 63.100 -0.045 0.000 0.768 77 P CB 1.022 32.772 31.700 0.082 0.000 0.848 78 T N -0.332 114.187 114.554 -0.058 0.000 3.331 78 T HA 0.516 4.865 4.350 -0.000 0.000 0.282 78 T C 0.862 175.506 174.700 -0.094 0.000 1.010 78 T CA 0.214 62.277 62.100 -0.061 0.000 0.928 78 T CB -0.427 68.384 68.868 -0.095 0.000 1.154 78 T HN 0.569 nan 8.240 nan 0.000 0.516 79 A N 1.967 124.739 122.820 -0.081 0.000 5.395 79 A HA -0.216 4.104 4.320 -0.000 0.000 0.332 79 A C 0.086 177.668 177.584 -0.003 0.000 1.754 79 A CA 1.188 53.157 52.037 -0.113 0.000 0.716 79 A CB -1.746 16.974 19.000 -0.466 0.000 1.411 79 A HN 1.117 nan 8.150 nan 0.000 0.398 80 F N 2.424 122.273 119.950 -0.168 0.000 2.421 80 F HA 0.505 5.031 4.527 -0.000 0.000 0.358 80 F C 0.842 176.620 175.800 -0.036 0.000 1.115 80 F CA -0.061 57.897 58.000 -0.070 0.000 1.160 80 F CB -0.107 38.873 39.000 -0.034 0.000 1.123 80 F HN 0.970 nan 8.300 nan 0.000 0.508 81 N N 3.565 121.924 118.700 -0.569 0.000 2.669 81 N HA -0.192 4.548 4.740 -0.000 0.000 0.266 81 N C -0.341 175.021 175.510 -0.247 0.000 1.024 81 N CA 0.842 53.581 53.050 -0.519 0.000 0.766 81 N CB -0.881 37.077 38.487 -0.882 0.000 0.898 81 N HN 0.997 nan 8.380 nan 0.000 0.548 82 G N 0.797 109.497 108.800 -0.167 0.000 2.444 82 G HA2 0.369 4.329 3.960 -0.000 0.000 0.268 82 G HA3 0.369 4.329 3.960 -0.000 0.000 0.268 82 G C -0.488 174.360 174.900 -0.086 0.000 1.203 82 G CA -0.431 44.611 45.100 -0.098 0.000 0.835 82 G HN 0.594 nan 8.290 nan 0.000 0.543 83 H N -0.996 117.935 119.070 -0.232 0.000 2.676 83 H HA 0.702 5.257 4.556 -0.000 0.000 0.352 83 H C -0.829 174.454 175.328 -0.075 0.000 1.193 83 H CA -0.637 55.302 56.048 -0.181 0.000 1.243 83 H CB 2.569 32.147 29.762 -0.308 0.000 1.751 83 H HN 0.419 nan 8.280 nan 0.000 0.567 84 V N 0.831 120.893 119.914 0.247 0.000 3.204 84 V HA 0.297 4.417 4.120 -0.000 0.000 0.298 84 V C -1.811 174.453 176.094 0.283 0.000 1.328 84 V CA -0.418 62.058 62.300 0.295 0.000 1.035 84 V CB 2.622 34.486 31.823 0.069 0.000 1.095 84 V HN 1.054 nan 8.190 nan 0.000 0.442 85 Q N 2.501 122.390 119.800 0.148 0.000 2.687 85 Q HA 0.761 5.101 4.340 -0.000 0.000 0.295 85 Q C -2.269 173.590 176.000 -0.235 0.000 0.920 85 Q CA -0.934 54.842 55.803 -0.044 0.000 0.766 85 Q CB 2.235 30.934 28.738 -0.064 0.000 1.467 85 Q HN 0.553 nan 8.270 nan 0.000 0.415 86 V N 1.587 121.293 119.914 -0.346 0.000 2.581 86 V HA 0.507 4.627 4.120 -0.000 0.000 0.303 86 V C 0.127 175.919 176.094 -0.504 0.000 1.041 86 V CA -0.381 61.604 62.300 -0.525 0.000 0.907 86 V CB 1.629 33.073 31.823 -0.632 0.000 0.994 86 V HN 0.896 nan 8.190 nan 0.000 0.442 87 S N 3.149 118.412 115.700 -0.729 0.000 2.568 87 S HA 0.065 4.534 4.470 -0.000 0.000 0.282 87 S C 0.958 175.390 174.600 -0.280 0.000 1.338 87 S CA -0.281 57.557 58.200 -0.603 0.000 1.045 87 S CB 0.339 63.140 63.200 -0.664 0.000 0.873 87 S HN 0.693 nan 8.310 nan 0.000 0.516 88 N N 2.570 121.187 118.700 -0.139 0.000 2.104 88 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 88 N C 1.144 176.619 175.510 -0.059 0.000 1.024 88 N CA 1.764 54.766 53.050 -0.079 0.000 0.853 88 N CB -0.798 37.669 38.487 -0.033 0.000 1.008 88 N HN 0.965 nan 8.380 nan 0.000 0.424 89 D N -0.249 120.119 120.400 -0.053 0.000 2.392 89 D HA 0.027 4.666 4.640 -0.000 0.000 0.228 89 D C 0.713 177.011 176.300 -0.003 0.000 1.003 89 D CA 0.607 54.594 54.000 -0.020 0.000 0.917 89 D CB -0.788 40.003 40.800 -0.014 0.000 0.890 89 D HN 0.217 nan 8.370 nan 0.000 0.532 90 G N 0.490 109.261 108.800 -0.048 0.000 2.367 90 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.295 90 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.295 90 G C 0.501 175.465 174.900 0.107 0.000 1.019 90 G CA 0.571 45.685 45.100 0.024 0.000 1.224 90 G HN 0.497 nan 8.290 nan 0.000 0.510 91 K N -1.353 119.039 120.400 -0.013 0.000 2.645 91 K HA 0.108 4.428 4.320 -0.000 0.000 0.203 91 K C 0.622 177.213 176.600 -0.014 0.000 1.653 91 K CA -0.008 56.293 56.287 0.023 0.000 1.138 91 K CB 0.634 33.139 32.500 0.009 0.000 1.515 91 K HN 0.221 nan 8.250 nan 0.000 0.592 92 K N 1.203 121.520 120.400 -0.137 0.000 2.385 92 K HA 0.487 4.807 4.320 -0.000 0.000 0.248 92 K C -0.733 175.668 176.600 -0.331 0.000 0.955 92 K CA -0.499 55.698 56.287 -0.151 0.000 0.816 92 K CB 2.328 34.769 32.500 -0.098 0.000 1.250 92 K HN -0.028 nan 8.250 nan 0.000 0.434 93 I N 2.944 123.440 120.570 -0.123 0.000 2.354 93 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 93 I C -0.496 175.685 176.117 0.107 0.000 1.007 93 I CA -0.755 60.453 61.300 -0.155 0.000 1.167 93 I CB 0.523 38.471 38.000 -0.086 0.000 1.320 93 I HN 0.367 nan 8.210 nan 0.000 0.458 94 Y N 4.817 125.147 120.300 0.050 0.000 2.336 94 Y HA 0.346 4.896 4.550 -0.000 0.000 0.335 94 Y C 1.041 177.143 175.900 0.336 0.000 1.046 94 Y CA -0.786 57.420 58.100 0.175 0.000 1.198 94 Y CB 1.378 39.855 38.460 0.029 0.000 1.182 94 Y HN 0.491 nan 8.280 nan 0.000 0.502 95 T N 1.672 116.559 114.554 0.554 0.000 2.916 95 T HA 0.701 5.051 4.350 -0.000 0.000 0.292 95 T C -0.814 174.013 174.700 0.211 0.000 1.064 95 T CA -1.077 61.236 62.100 0.355 0.000 1.011 95 T CB 2.347 71.316 68.868 0.170 0.000 1.152 95 T HN 0.695 nan 8.240 nan 0.000 0.510 96 M N 1.769 121.267 119.600 -0.169 0.000 2.386 96 M HA 0.647 5.126 4.480 -0.000 0.000 0.293 96 M C -1.212 174.980 176.300 -0.180 0.000 1.120 96 M CA -0.071 55.034 55.300 -0.325 0.000 0.909 96 M CB 2.092 34.063 32.600 -1.047 0.000 1.661 96 M HN 1.114 nan 8.290 nan 0.000 0.452 97 T N 1.182 115.684 114.554 -0.086 0.000 2.658 97 T HA 0.558 4.908 4.350 -0.000 0.000 0.305 97 T C -1.691 172.980 174.700 -0.049 0.000 1.551 97 T CA -0.367 61.676 62.100 -0.095 0.000 0.985 97 T CB 1.951 70.733 68.868 -0.143 0.000 1.731 97 T HN 0.720 nan 8.240 nan 0.000 0.486 98 T N 1.936 116.456 114.554 -0.056 0.000 2.848 98 T HA 0.725 5.075 4.350 -0.000 0.000 0.285 98 T C -1.582 173.076 174.700 -0.069 0.000 0.995 98 T CA -0.240 61.879 62.100 0.032 0.000 0.970 98 T CB 0.665 69.662 68.868 0.214 0.000 0.976 98 T HN 0.432 nan 8.240 nan 0.000 0.441 99 Y N 1.140 121.427 120.300 -0.021 0.000 2.621 99 Y HA 0.601 5.150 4.550 -0.000 0.000 0.334 99 Y C 0.605 176.378 175.900 -0.211 0.000 1.074 99 Y CA -0.939 57.150 58.100 -0.019 0.000 1.149 99 Y CB 1.591 40.043 38.460 -0.013 0.000 1.302 99 Y HN 0.552 nan 8.280 nan 0.000 0.501 100 H N 0.471 119.654 119.070 0.189 0.000 3.042 100 H HA 0.146 4.702 4.556 -0.000 0.000 0.345 100 H C -0.057 175.312 175.328 0.068 0.000 1.052 100 H CA -0.527 55.569 56.048 0.081 0.000 1.311 100 H CB 2.014 31.784 29.762 0.014 0.000 1.810 100 H HN 0.837 nan 8.280 nan 0.000 0.505 101 E N 1.379 121.663 120.200 0.141 0.000 2.208 101 E HA -0.209 4.141 4.350 -0.000 0.000 0.202 101 E C 0.659 177.304 176.600 0.076 0.000 1.014 101 E CA 1.131 57.579 56.400 0.080 0.000 0.819 101 E CB 0.340 30.071 29.700 0.051 0.000 0.735 101 E HN 0.224 nan 8.360 nan 0.000 0.469 102 R N -0.779 119.774 120.500 0.087 0.000 2.616 102 R HA 0.270 4.610 4.340 -0.000 0.000 0.427 102 R C 0.914 177.230 176.300 0.027 0.000 1.030 102 R CA -0.110 56.016 56.100 0.044 0.000 1.133 102 R CB 0.125 30.434 30.300 0.016 0.000 1.444 102 R HN 0.198 nan 8.270 nan 0.000 0.578 103 I N -0.672 119.946 120.570 0.079 0.000 4.701 103 I HA -0.480 3.690 4.170 -0.000 0.000 0.046 103 I C 1.420 177.439 176.117 -0.164 0.000 0.626 103 I CA 2.543 63.856 61.300 0.022 0.000 0.723 103 I CB -1.577 36.417 38.000 -0.010 0.000 0.675 103 I HN 0.219 nan 8.210 nan 0.000 0.157 104 T N 0.496 114.952 114.554 -0.163 0.000 3.107 104 T HA 0.301 4.651 4.350 -0.000 0.000 0.249 104 T C 0.429 174.994 174.700 -0.226 0.000 1.096 104 T CA 0.462 62.423 62.100 -0.231 0.000 1.012 104 T CB -0.094 68.685 68.868 -0.149 0.000 0.977 104 T HN 0.768 nan 8.240 nan 0.000 0.527 105 R N -0.957 119.442 120.500 -0.168 0.000 2.712 105 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 105 R C -0.343 175.954 176.300 -0.003 0.000 1.032 105 R CA -0.579 55.461 56.100 -0.100 0.000 0.874 105 R CB 0.510 30.775 30.300 -0.059 0.000 1.256 105 R HN 0.451 nan 8.270 nan 0.000 0.468 106 G N 1.075 109.900 108.800 0.041 0.000 2.603 106 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 106 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 106 G C -1.289 173.707 174.900 0.161 0.000 1.286 106 G CA -0.360 44.791 45.100 0.086 0.000 0.871 106 G HN 0.786 nan 8.290 nan 0.000 0.568 107 K N 0.314 120.774 120.400 0.101 0.000 2.484 107 K HA 0.214 4.534 4.320 -0.000 0.000 0.280 107 K C 0.765 177.385 176.600 0.032 0.000 1.013 107 K CA 0.036 56.366 56.287 0.071 0.000 1.029 107 K CB 0.363 32.879 32.500 0.027 0.000 0.902 107 K HN 0.734 nan 8.250 nan 0.000 0.481 108 R N 2.190 122.663 120.500 -0.045 0.000 2.349 108 R HA 0.164 4.504 4.340 -0.000 0.000 0.299 108 R C -1.175 175.026 176.300 -0.164 0.000 1.027 108 R CA -0.342 55.569 56.100 -0.316 0.000 0.958 108 R CB 0.954 31.096 30.300 -0.264 0.000 1.047 108 R HN 0.543 nan 8.270 nan 0.000 0.468 109 S N 3.469 119.076 115.700 -0.155 0.000 2.774 109 S HA 0.196 4.666 4.470 -0.000 0.000 0.297 109 S C -1.678 172.940 174.600 0.029 0.000 1.143 109 S CA -0.927 57.252 58.200 -0.035 0.000 1.090 109 S CB 1.340 64.536 63.200 -0.007 0.000 1.019 109 S HN 0.578 nan 8.310 nan 0.000 0.482 110 D N 2.892 123.293 120.400 0.001 0.000 2.280 110 D HA 0.499 5.139 4.640 -0.000 0.000 0.243 110 D C 0.166 176.491 176.300 0.042 0.000 1.129 110 D CA -0.121 53.891 54.000 0.020 0.000 0.848 110 D CB 1.530 42.315 40.800 -0.025 0.000 1.107 110 D HN 0.392 nan 8.370 nan 0.000 0.471 111 V N -0.299 119.677 119.914 0.104 0.000 3.160 111 V HA 0.725 4.844 4.120 -0.000 0.000 0.310 111 V C -0.814 175.366 176.094 0.144 0.000 1.181 111 V CA -0.812 61.566 62.300 0.131 0.000 1.047 111 V CB 2.166 34.107 31.823 0.196 0.000 1.068 111 V HN 0.166 nan 8.190 nan 0.000 0.441 112 V N 1.671 121.692 119.914 0.177 0.000 2.448 112 V HA 0.579 4.698 4.120 -0.000 0.000 0.295 112 V C -0.268 175.993 176.094 0.278 0.000 1.025 112 V CA -0.240 62.197 62.300 0.230 0.000 0.859 112 V CB 1.498 33.456 31.823 0.225 0.000 0.988 112 V HN 1.053 nan 8.190 nan 0.000 0.431 113 E N 3.099 123.528 120.200 0.383 0.000 2.212 113 E HA 0.599 4.949 4.350 -0.000 0.000 0.268 113 E C -1.438 175.451 176.600 0.483 0.000 0.902 113 E CA -0.677 56.006 56.400 0.471 0.000 0.779 113 E CB 2.700 32.854 29.700 0.756 0.000 1.172 113 E HN 0.408 nan 8.360 nan 0.000 0.409 114 V N 3.359 123.427 119.914 0.256 0.000 2.334 114 V HA 0.292 4.412 4.120 -0.000 0.000 0.281 114 V C -1.039 175.123 176.094 0.113 0.000 1.016 114 V CA -0.718 61.752 62.300 0.283 0.000 0.832 114 V CB 0.138 32.050 31.823 0.149 0.000 0.999 114 V HN 0.591 nan 8.190 nan 0.000 0.439 115 W N 1.942 123.284 121.300 0.070 0.000 2.570 115 W HA 0.498 5.157 4.660 -0.000 0.000 0.337 115 W C 0.099 176.623 176.519 0.009 0.000 1.067 115 W CA -0.901 56.465 57.345 0.035 0.000 1.229 115 W CB 0.915 30.433 29.460 0.096 0.000 1.355 115 W HN 0.527 nan 8.180 nan 0.000 0.555 116 D N 0.998 121.523 120.400 0.208 0.000 2.351 116 D HA 0.329 4.968 4.640 -0.000 0.000 0.251 116 D C 1.043 177.451 176.300 0.180 0.000 1.137 116 D CA 0.330 54.410 54.000 0.133 0.000 0.879 116 D CB 1.616 42.464 40.800 0.080 0.000 1.181 116 D HN 0.411 nan 8.370 nan 0.000 0.448 117 A N 3.736 126.638 122.820 0.136 0.000 1.933 117 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 117 A C 1.629 179.325 177.584 0.186 0.000 1.175 117 A CA 1.349 53.493 52.037 0.179 0.000 0.628 117 A CB -0.207 18.932 19.000 0.231 0.000 0.814 117 A HN 0.652 nan 8.150 nan 0.000 0.444 118 D N -0.792 119.688 120.400 0.133 0.000 2.216 118 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 118 D C 1.778 178.136 176.300 0.097 0.000 0.960 118 D CA 0.803 54.861 54.000 0.095 0.000 0.861 118 D CB -0.044 40.793 40.800 0.061 0.000 0.985 118 D HN 0.185 nan 8.370 nan 0.000 0.493 119 K N 0.225 120.690 120.400 0.109 0.000 2.314 119 K HA 0.183 4.503 4.320 -0.000 0.000 0.198 119 K C 0.555 177.257 176.600 0.170 0.000 1.045 119 K CA -0.097 56.257 56.287 0.113 0.000 0.988 119 K CB 0.620 33.171 32.500 0.085 0.000 0.783 119 K HN 0.148 nan 8.250 nan 0.000 0.484 120 L N 2.448 123.805 121.223 0.223 0.000 3.601 120 L HA -0.202 4.137 4.340 -0.000 0.000 0.469 120 L C -0.264 176.929 176.870 0.539 0.000 1.294 120 L CA 0.631 55.675 54.840 0.341 0.000 0.829 120 L CB -2.163 40.029 42.059 0.222 0.000 1.628 120 L HN 0.253 nan 8.230 nan 0.000 0.868 121 T N -2.879 111.943 114.554 0.447 0.000 2.893 121 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 121 T C -0.429 174.089 174.700 -0.304 0.000 1.028 121 T CA -0.799 61.419 62.100 0.197 0.000 0.995 121 T CB 2.229 71.135 68.868 0.064 0.000 1.051 121 T HN 0.162 nan 8.240 nan 0.000 0.470 122 F N 1.929 121.153 119.950 -1.210 0.000 2.529 122 F HA 0.351 4.878 4.527 -0.000 0.000 0.365 122 F C 1.011 176.438 175.800 -0.622 0.000 1.102 122 F CA 0.044 57.127 58.000 -1.528 0.000 1.271 122 F CB 0.672 38.909 39.000 -1.271 0.000 1.120 122 F HN 0.877 nan 8.300 nan 0.000 0.579 123 E N 2.721 121.995 120.200 -1.542 0.000 2.502 123 E HA 0.127 4.477 4.350 -0.000 0.000 0.206 123 E C -0.545 175.407 176.600 -1.079 0.000 0.821 123 E CA -0.269 55.545 56.400 -0.975 0.000 1.354 123 E CB 0.789 30.209 29.700 -0.467 0.000 1.336 123 E HN 0.472 nan 8.360 nan 0.000 0.675 124 K N 1.308 120.952 120.400 -1.259 0.000 2.542 124 K HA 0.226 4.546 4.320 -0.000 0.000 0.259 124 K C -1.903 174.579 176.600 -0.198 0.000 0.932 124 K CA -0.372 55.579 56.287 -0.561 0.000 0.820 124 K CB 2.497 34.843 32.500 -0.257 0.000 1.345 124 K HN -0.079 nan 8.250 nan 0.000 0.432 125 E N 4.943 125.233 120.200 0.150 0.000 2.171 125 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 125 E C -1.169 175.511 176.600 0.135 0.000 0.916 125 E CA -0.685 55.876 56.400 0.267 0.000 0.774 125 E CB 1.102 30.983 29.700 0.302 0.000 1.128 125 E HN 0.472 nan 8.360 nan 0.000 0.403 126 I N 3.551 124.200 120.570 0.132 0.000 2.382 126 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 126 I C -0.201 175.972 176.117 0.093 0.000 1.002 126 I CA -0.746 60.614 61.300 0.099 0.000 1.135 126 I CB 1.918 39.974 38.000 0.094 0.000 1.288 126 I HN 0.460 nan 8.210 nan 0.000 0.448 127 S N 7.188 122.928 115.700 0.066 0.000 2.552 127 S HA 0.397 4.867 4.470 -0.000 0.000 0.289 127 S C -0.192 174.401 174.600 -0.012 0.000 1.304 127 S CA -0.187 58.030 58.200 0.028 0.000 1.063 127 S CB 0.367 63.578 63.200 0.018 0.000 0.848 127 S HN 0.353 nan 8.310 nan 0.000 0.499 128 L N 3.577 124.748 121.223 -0.087 0.000 2.388 128 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 128 L C -2.329 174.363 176.870 -0.297 0.000 0.998 128 L CA -2.586 52.095 54.840 -0.266 0.000 0.817 128 L CB 2.165 44.126 42.059 -0.163 0.000 1.338 128 L HN 0.389 nan 8.230 nan 0.000 0.414 129 P HA 0.096 nan 4.420 nan 0.000 0.268 129 P C -2.440 174.761 177.300 -0.164 0.000 1.205 129 P CA -1.248 61.688 63.100 -0.273 0.000 0.771 129 P CB -0.024 31.495 31.700 -0.302 0.000 0.858 130 P HA -0.023 nan 4.420 nan 0.000 0.238 130 P C 0.178 177.470 177.300 -0.012 0.000 1.649 130 P CA 0.576 63.651 63.100 -0.042 0.000 0.960 130 P CB -0.726 30.959 31.700 -0.024 0.000 1.911 131 K N -0.257 120.130 120.400 -0.021 0.000 2.614 131 K HA 0.135 4.455 4.320 -0.000 0.000 0.190 131 K C 0.254 176.868 176.600 0.022 0.000 1.255 131 K CA -0.729 55.568 56.287 0.018 0.000 1.099 131 K CB -0.004 32.511 32.500 0.024 0.000 1.023 131 K HN -0.040 nan 8.250 nan 0.000 0.576 132 R N 1.050 121.542 120.500 -0.013 0.000 2.585 132 R HA 0.138 4.478 4.340 -0.000 0.000 0.275 132 R C 0.217 176.507 176.300 -0.017 0.000 1.018 132 R CA -0.416 55.663 56.100 -0.034 0.000 1.072 132 R CB 0.160 30.410 30.300 -0.082 0.000 0.953 132 R HN 0.043 nan 8.270 nan 0.000 0.419 133 V N 2.994 122.892 119.914 -0.025 0.000 2.752 133 V HA -0.067 4.053 4.120 -0.000 0.000 0.306 133 V C -0.289 175.804 176.094 -0.002 0.000 1.099 133 V CA 0.927 63.258 62.300 0.052 0.000 1.240 133 V CB 0.164 32.025 31.823 0.063 0.000 0.887 133 V HN 0.874 nan 8.190 nan 0.000 0.499 134 Q N 5.488 125.353 119.800 0.108 0.000 2.454 134 Q HA 0.667 5.006 4.340 -0.000 0.000 0.255 134 Q C -0.013 176.080 176.000 0.154 0.000 1.034 134 Q CA 0.140 55.995 55.803 0.087 0.000 0.736 134 Q CB 1.682 30.492 28.738 0.121 0.000 1.210 134 Q HN 1.087 nan 8.270 nan 0.000 0.500 135 G N 0.995 109.923 108.800 0.213 0.000 2.488 135 G HA2 0.320 4.280 3.960 -0.000 0.000 0.301 135 G HA3 0.320 4.280 3.960 -0.000 0.000 0.301 135 G C -1.141 173.895 174.900 0.226 0.000 1.339 135 G CA -1.012 44.225 45.100 0.228 0.000 0.803 135 G HN 0.369 nan 8.290 nan 0.000 0.482 136 L N 0.832 122.152 121.223 0.160 0.000 2.529 136 L HA 0.043 4.383 4.340 -0.000 0.000 0.287 136 L C 0.472 177.366 176.870 0.040 0.000 1.241 136 L CA -0.243 54.595 54.840 -0.004 0.000 0.857 136 L CB 0.228 42.231 42.059 -0.094 0.000 1.113 136 L HN 0.453 nan 8.230 nan 0.000 0.504 137 N N 2.460 121.021 118.700 -0.232 0.000 3.027 137 N HA 0.043 4.783 4.740 -0.000 0.000 0.309 137 N C -0.758 174.713 175.510 -0.065 0.000 1.222 137 N CA 0.223 53.115 53.050 -0.264 0.000 1.187 137 N CB -0.221 38.045 38.487 -0.368 0.000 1.458 137 N HN 0.344 nan 8.380 nan 0.000 0.535 138 Y N 0.541 120.930 120.300 0.149 0.000 2.309 138 Y HA 0.024 4.574 4.550 -0.000 0.000 0.327 138 Y C 1.746 177.748 175.900 0.169 0.000 1.172 138 Y CA -0.458 57.756 58.100 0.190 0.000 1.280 138 Y CB 0.885 39.499 38.460 0.257 0.000 1.234 138 Y HN 0.195 nan 8.280 nan 0.000 0.512 139 D N 2.475 123.046 120.400 0.285 0.000 2.116 139 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 139 D C 2.090 178.498 176.300 0.181 0.000 0.998 139 D CA 1.698 55.821 54.000 0.205 0.000 0.836 139 D CB -0.498 40.393 40.800 0.153 0.000 0.951 139 D HN 0.919 nan 8.370 nan 0.000 0.449 140 G N 0.179 109.080 108.800 0.168 0.000 2.653 140 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.212 140 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.212 140 G C 1.433 176.314 174.900 -0.032 0.000 1.138 140 G CA 0.094 45.230 45.100 0.059 0.000 0.782 140 G HN 0.276 nan 8.290 nan 0.000 0.535 141 L N -1.596 119.662 121.223 0.059 0.000 2.554 141 L HA 0.406 4.746 4.340 -0.000 0.000 0.225 141 L C 0.114 177.036 176.870 0.088 0.000 1.104 141 L CA 0.023 54.842 54.840 -0.036 0.000 0.866 141 L CB 0.422 42.508 42.059 0.045 0.000 1.047 141 L HN 0.159 nan 8.230 nan 0.000 0.468 142 F N 1.566 121.499 119.950 -0.029 0.000 3.094 142 F HA 0.424 4.951 4.527 -0.000 0.000 0.385 142 F C -0.189 175.609 175.800 -0.004 0.000 1.231 142 F CA -0.831 57.155 58.000 -0.023 0.000 1.207 142 F CB 0.229 39.262 39.000 0.056 0.000 1.703 142 F HN -0.212 nan 8.300 nan 0.000 0.610 143 R N 2.281 122.674 120.500 -0.178 0.000 3.151 143 R HA 0.635 4.975 4.340 -0.000 0.000 0.231 143 R C -0.953 175.190 176.300 -0.263 0.000 1.511 143 R CA -0.886 55.093 56.100 -0.203 0.000 1.047 143 R CB 1.473 31.691 30.300 -0.137 0.000 1.565 143 R HN 0.629 nan 8.270 nan 0.000 0.513 144 Q N -0.561 119.144 119.800 -0.158 0.000 2.340 144 Q HA 0.325 4.664 4.340 -0.000 0.000 0.276 144 Q C -0.888 175.095 176.000 -0.028 0.000 1.048 144 Q CA -0.856 54.889 55.803 -0.098 0.000 0.832 144 Q CB 1.666 30.379 28.738 -0.041 0.000 1.373 144 Q HN 0.641 nan 8.270 nan 0.000 0.409 145 T N -0.066 114.510 114.554 0.037 0.000 2.856 145 T HA -0.020 4.330 4.350 -0.000 0.000 0.329 145 T C 1.000 175.740 174.700 0.066 0.000 1.094 145 T CA 0.660 62.822 62.100 0.103 0.000 1.112 145 T CB 0.378 69.383 68.868 0.229 0.000 1.009 145 T HN 0.659 nan 8.240 nan 0.000 0.550 146 T N 1.234 115.831 114.554 0.071 0.000 2.833 146 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 146 T C 1.462 176.185 174.700 0.039 0.000 1.054 146 T CA 1.513 63.642 62.100 0.049 0.000 1.135 146 T CB -0.512 68.388 68.868 0.054 0.000 0.869 146 T HN 0.940 nan 8.240 nan 0.000 0.466 147 D N 0.583 121.011 120.400 0.048 0.000 2.336 147 D HA 0.185 4.825 4.640 -0.000 0.000 0.229 147 D C 1.527 177.821 176.300 -0.011 0.000 1.061 147 D CA 0.567 54.580 54.000 0.021 0.000 0.875 147 D CB -0.978 39.840 40.800 0.029 0.000 0.904 147 D HN 0.378 nan 8.370 nan 0.000 0.525 148 G N 0.841 109.641 108.800 -0.000 0.000 2.200 148 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.268 148 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.268 148 G C 1.288 176.137 174.900 -0.085 0.000 0.986 148 G CA 0.826 45.920 45.100 -0.011 0.000 0.677 148 G HN 0.361 nan 8.290 nan 0.000 0.532 149 K N -0.829 119.453 120.400 -0.197 0.000 2.103 149 K HA 0.142 4.462 4.320 -0.000 0.000 0.204 149 K C 0.800 176.950 176.600 -0.752 0.000 1.052 149 K CA 0.944 56.909 56.287 -0.536 0.000 0.945 149 K CB -0.048 31.968 32.500 -0.807 0.000 0.722 149 K HN 0.482 nan 8.250 nan 0.000 0.443 150 F N 0.010 119.932 119.950 -0.045 0.000 2.546 150 F HA 0.450 4.977 4.527 -0.000 0.000 0.320 150 F C 0.328 176.049 175.800 -0.132 0.000 1.076 150 F CA -1.111 56.837 58.000 -0.086 0.000 0.928 150 F CB 1.328 40.290 39.000 -0.064 0.000 1.189 150 F HN -0.303 nan 8.300 nan 0.000 0.465 151 I N 2.788 123.363 120.570 0.007 0.000 2.336 151 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 151 I C -0.955 175.095 176.117 -0.112 0.000 0.991 151 I CA -0.848 60.364 61.300 -0.147 0.000 1.227 151 I CB 1.546 39.388 38.000 -0.263 0.000 1.366 151 I HN 0.223 nan 8.210 nan 0.000 0.466 152 V N 7.460 127.250 119.914 -0.206 0.000 2.313 152 V HA 0.331 4.451 4.120 -0.000 0.000 0.278 152 V C -0.067 175.901 176.094 -0.210 0.000 1.017 152 V CA -0.585 61.535 62.300 -0.299 0.000 0.823 152 V CB 1.053 32.485 31.823 -0.652 0.000 1.010 152 V HN 0.492 nan 8.190 nan 0.000 0.443 153 L N 2.790 123.976 121.223 -0.061 0.000 2.304 153 L HA 0.926 5.266 4.340 -0.000 0.000 0.268 153 L C -0.403 176.429 176.870 -0.064 0.000 1.010 153 L CA -0.812 54.059 54.840 0.052 0.000 0.813 153 L CB 1.205 43.402 42.059 0.230 0.000 1.315 153 L HN 0.448 nan 8.230 nan 0.000 0.445 154 Q N 1.176 120.900 119.800 -0.127 0.000 2.256 154 Q HA 0.528 4.868 4.340 -0.000 0.000 0.257 154 Q C -1.395 174.543 176.000 -0.103 0.000 0.936 154 Q CA -0.160 55.508 55.803 -0.226 0.000 0.903 154 Q CB 1.319 29.721 28.738 -0.560 0.000 1.263 154 Q HN 0.775 nan 8.270 nan 0.000 0.440 155 N N 1.368 120.067 118.700 -0.001 0.000 2.402 155 N HA 0.879 5.619 4.740 -0.000 0.000 0.294 155 N C -1.602 174.036 175.510 0.213 0.000 1.203 155 N CA -0.455 52.650 53.050 0.090 0.000 0.838 155 N CB 2.021 40.566 38.487 0.095 0.000 1.306 155 N HN 0.653 nan 8.380 nan 0.000 0.510 156 A N -0.341 122.597 122.820 0.195 0.000 2.532 156 A HA 0.501 4.821 4.320 -0.000 0.000 0.296 156 A C -0.394 177.265 177.584 0.124 0.000 1.058 156 A CA -0.536 51.626 52.037 0.209 0.000 0.729 156 A CB 0.579 19.744 19.000 0.274 0.000 1.285 156 A HN 0.657 nan 8.150 nan 0.000 0.396 157 S N 1.131 116.887 115.700 0.094 0.000 2.993 157 S HA 0.256 4.726 4.470 -0.000 0.000 0.257 157 S C -0.719 173.912 174.600 0.052 0.000 0.997 157 S CA 0.441 58.683 58.200 0.069 0.000 1.191 157 S CB -0.200 63.035 63.200 0.059 0.000 1.143 157 S HN 0.683 nan 8.310 nan 0.000 0.655 158 P HA 0.350 nan 4.420 nan 0.000 0.236 158 P C 0.614 177.947 177.300 0.055 0.000 1.177 158 P CA 0.226 63.351 63.100 0.043 0.000 0.773 158 P CB -0.301 31.408 31.700 0.015 0.000 0.878 159 A N 1.558 124.411 122.820 0.054 0.000 2.565 159 A HA 0.287 4.607 4.320 -0.000 0.000 0.237 159 A C 0.821 178.470 177.584 0.107 0.000 1.053 159 A CA 0.383 52.459 52.037 0.065 0.000 0.755 159 A CB -0.378 18.654 19.000 0.054 0.000 0.980 159 A HN 0.454 nan 8.150 nan 0.000 0.506 160 T N 0.222 114.858 114.554 0.137 0.000 2.922 160 T HA 0.707 5.057 4.350 -0.000 0.000 0.285 160 T C -0.032 174.762 174.700 0.156 0.000 1.005 160 T CA 0.111 62.339 62.100 0.212 0.000 1.061 160 T CB 1.020 70.088 68.868 0.334 0.000 1.007 160 T HN 1.963 nan 8.240 nan 0.000 0.502 161 S N 0.890 116.680 115.700 0.150 0.000 2.565 161 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 161 S C -1.236 173.419 174.600 0.092 0.000 1.144 161 S CA -1.182 57.086 58.200 0.113 0.000 0.849 161 S CB 0.488 63.753 63.200 0.108 0.000 1.103 161 S HN 0.825 nan 8.310 nan 0.000 0.455 162 I N 1.869 122.490 120.570 0.084 0.000 2.336 162 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 162 I C 0.934 177.088 176.117 0.062 0.000 0.991 162 I CA -0.551 60.777 61.300 0.047 0.000 1.227 162 I CB 1.503 39.547 38.000 0.073 0.000 1.366 162 I HN 0.937 nan 8.210 nan 0.000 0.466 163 G N 7.021 115.865 108.800 0.074 0.000 2.389 163 G HA2 0.634 4.594 3.960 -0.000 0.000 0.317 163 G HA3 0.634 4.594 3.960 -0.000 0.000 0.317 163 G C -0.598 174.239 174.900 -0.105 0.000 1.137 163 G CA -0.380 44.787 45.100 0.112 0.000 0.870 163 G HN 0.353 nan 8.290 nan 0.000 0.496 164 I N 1.326 121.654 120.570 -0.403 0.000 2.465 164 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 164 I C -0.502 175.430 176.117 -0.309 0.000 1.014 164 I CA -0.875 60.245 61.300 -0.300 0.000 1.093 164 I CB 1.616 39.430 38.000 -0.310 0.000 1.267 164 I HN 0.073 nan 8.210 nan 0.000 0.431 165 V N 4.606 124.497 119.914 -0.039 0.000 2.531 165 V HA 0.285 4.405 4.120 -0.000 0.000 0.301 165 V C -0.193 175.992 176.094 0.152 0.000 1.034 165 V CA -0.740 61.588 62.300 0.047 0.000 0.865 165 V CB 2.316 34.182 31.823 0.072 0.000 0.995 165 V HN 0.638 nan 8.190 nan 0.000 0.424 166 D N 3.644 124.136 120.400 0.153 0.000 2.352 166 D HA 0.166 4.806 4.640 -0.000 0.000 0.245 166 D C 1.046 177.310 176.300 -0.061 0.000 1.224 166 D CA 0.066 54.132 54.000 0.111 0.000 0.879 166 D CB 1.933 42.814 40.800 0.136 0.000 1.057 166 D HN 0.277 nan 8.370 nan 0.000 0.491 167 V N 4.628 124.436 119.914 -0.178 0.000 2.287 167 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 167 V C 2.474 178.497 176.094 -0.117 0.000 1.053 167 V CA 2.276 64.468 62.300 -0.180 0.000 1.027 167 V CB -0.712 30.992 31.823 -0.198 0.000 0.646 167 V HN 0.692 nan 8.190 nan 0.000 0.447 168 A N -0.617 122.125 122.820 -0.130 0.000 1.930 168 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 168 A C 2.275 179.829 177.584 -0.051 0.000 1.175 168 A CA 1.764 53.751 52.037 -0.084 0.000 0.627 168 A CB -0.377 18.565 19.000 -0.097 0.000 0.815 168 A HN 0.535 nan 8.150 nan 0.000 0.443 169 K N -1.414 118.962 120.400 -0.039 0.000 2.365 169 K HA 0.152 4.472 4.320 -0.000 0.000 0.197 169 K C 0.935 177.534 176.600 -0.001 0.000 1.042 169 K CA 0.450 56.732 56.287 -0.008 0.000 0.987 169 K CB -0.131 32.380 32.500 0.017 0.000 0.779 169 K HN 0.627 nan 8.250 nan 0.000 0.484 170 G N 2.486 111.278 108.800 -0.013 0.000 2.323 170 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 170 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 170 G C -0.677 174.242 174.900 0.033 0.000 1.040 170 G CA 0.512 45.610 45.100 -0.003 0.000 0.942 170 G HN 0.326 nan 8.290 nan 0.000 0.506 171 D N -1.616 118.816 120.400 0.053 0.000 2.753 171 D HA 0.306 4.946 4.640 -0.000 0.000 0.224 171 D C -0.745 175.636 176.300 0.136 0.000 1.213 171 D CA -0.648 53.409 54.000 0.095 0.000 0.833 171 D CB 1.340 42.186 40.800 0.077 0.000 1.607 171 D HN 0.039 nan 8.370 nan 0.000 0.463 172 Y N 2.486 122.808 120.300 0.037 0.000 2.637 172 Y HA 0.126 4.676 4.550 -0.000 0.000 0.350 172 Y C 1.301 177.225 175.900 0.039 0.000 1.069 172 Y CA 0.231 58.355 58.100 0.039 0.000 1.397 172 Y CB 0.368 38.848 38.460 0.033 0.000 1.163 172 Y HN 0.193 nan 8.280 nan 0.000 0.527 173 V N 1.973 121.768 119.914 -0.198 0.000 2.685 173 V HA 0.199 4.318 4.120 -0.000 0.000 0.244 173 V C 0.104 176.058 176.094 -0.233 0.000 1.054 173 V CA 1.111 63.326 62.300 -0.141 0.000 1.076 173 V CB 0.174 31.965 31.823 -0.054 0.000 0.725 173 V HN 0.606 nan 8.190 nan 0.000 0.467 174 E N -0.027 119.909 120.200 -0.440 0.000 2.340 174 E HA 0.468 4.817 4.350 -0.000 0.000 0.273 174 E C -1.741 174.639 176.600 -0.367 0.000 0.891 174 E CA -0.454 55.756 56.400 -0.317 0.000 0.757 174 E CB 2.061 31.618 29.700 -0.239 0.000 1.231 174 E HN 0.320 nan 8.360 nan 0.000 0.439 175 D N 2.838 123.175 120.400 -0.105 0.000 2.460 175 D HA 0.243 4.882 4.640 -0.000 0.000 0.268 175 D C -0.940 175.379 176.300 0.032 0.000 1.153 175 D CA -0.415 53.613 54.000 0.047 0.000 0.929 175 D CB 0.794 41.697 40.800 0.172 0.000 1.015 175 D HN 0.209 nan 8.370 nan 0.000 0.502 176 V N 3.770 123.698 119.914 0.024 0.000 2.278 176 V HA -0.023 4.097 4.120 -0.000 0.000 0.235 176 V C 1.882 178.010 176.094 0.056 0.000 1.281 176 V CA 0.858 63.181 62.300 0.039 0.000 1.351 176 V CB -0.823 31.055 31.823 0.092 0.000 1.411 176 V HN 0.673 nan 8.190 nan 0.000 0.491 177 T N -0.056 114.525 114.554 0.044 0.000 3.072 177 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 177 T C 1.784 176.506 174.700 0.038 0.000 1.127 177 T CA 0.845 62.975 62.100 0.049 0.000 1.107 177 T CB 0.062 68.956 68.868 0.043 0.000 0.910 177 T HN 0.628 nan 8.240 nan 0.000 0.513 178 A N 1.233 124.066 122.820 0.023 0.000 2.121 178 A HA 0.528 4.847 4.320 -0.000 0.000 0.218 178 A C 2.467 180.065 177.584 0.023 0.000 1.154 178 A CA 0.960 53.003 52.037 0.011 0.000 0.679 178 A CB -0.869 18.123 19.000 -0.013 0.000 0.795 178 A HN 0.696 nan 8.150 nan 0.000 0.458 179 A N -0.469 122.380 122.820 0.047 0.000 2.238 179 A HA 0.568 4.888 4.320 -0.000 0.000 0.208 179 A C 1.239 178.873 177.584 0.083 0.000 1.177 179 A CA 0.512 52.591 52.037 0.070 0.000 0.804 179 A CB -0.886 18.178 19.000 0.106 0.000 0.823 179 A HN 0.931 nan 8.150 nan 0.000 0.482 180 A N -0.711 122.151 122.820 0.070 0.000 2.546 180 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 180 A C 1.589 179.212 177.584 0.065 0.000 1.063 180 A CA 0.674 52.755 52.037 0.074 0.000 0.757 180 A CB -0.619 18.413 19.000 0.054 0.000 0.991 180 A HN 1.948 nan 8.150 nan 0.000 0.503 181 G N 0.628 109.475 108.800 0.078 0.000 2.157 181 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 181 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 181 G C 0.266 175.212 174.900 0.077 0.000 0.979 181 G CA 0.198 45.331 45.100 0.055 0.000 0.650 181 G HN 1.197 nan 8.290 nan 0.000 0.529 182 c N -0.966 117.713 118.600 0.133 0.000 2.967 182 c HA 0.971 5.541 4.570 -0.000 0.000 0.372 182 c C -0.039 174.254 174.090 0.339 0.000 1.455 182 c CA -0.850 55.581 56.329 0.170 0.000 1.638 182 c CB 1.885 44.467 42.510 0.120 0.000 2.096 182 c HN 0.571 nan 8.230 nan 0.000 0.466 183 W N 0.583 121.901 121.300 0.029 0.000 3.363 183 W HA 0.471 5.131 4.660 -0.000 0.000 0.306 183 W C -0.637 175.909 176.519 0.044 0.000 1.253 183 W CA 0.314 57.676 57.345 0.028 0.000 1.195 183 W CB 1.665 31.126 29.460 0.003 0.000 1.366 183 W HN 1.261 nan 8.180 nan 0.000 0.551 184 S N 1.186 116.476 115.700 -0.684 0.000 3.522 184 S HA -0.190 4.279 4.470 -0.000 0.000 0.829 184 S C -1.725 172.776 174.600 -0.165 0.000 1.219 184 S CA -0.062 57.876 58.200 -0.437 0.000 1.016 184 S CB -1.224 61.873 63.200 -0.172 0.000 0.587 184 S HN 0.969 nan 8.310 nan 0.000 0.357 185 V N 2.558 122.394 119.914 -0.131 0.000 2.444 185 V HA 0.633 4.753 4.120 -0.000 0.000 0.294 185 V C -0.071 176.024 176.094 0.001 0.000 1.022 185 V CA -0.517 61.732 62.300 -0.085 0.000 0.850 185 V CB 1.355 33.004 31.823 -0.290 0.000 0.992 185 V HN 0.766 nan 8.190 nan 0.000 0.426 186 I N 7.838 128.462 120.570 0.092 0.000 2.388 186 I HA 0.391 4.560 4.170 -0.000 0.000 0.281 186 I C -2.400 173.747 176.117 0.051 0.000 1.046 186 I CA -1.732 59.622 61.300 0.090 0.000 1.187 186 I CB 1.559 39.658 38.000 0.165 0.000 1.351 186 I HN 0.427 nan 8.210 nan 0.000 0.472 187 P HA 0.110 nan 4.420 nan 0.000 0.269 187 P C -0.969 176.281 177.300 -0.082 0.000 1.215 187 P CA -0.348 62.765 63.100 0.023 0.000 0.780 187 P CB 0.456 32.164 31.700 0.012 0.000 0.898 188 Q N 3.219 122.940 119.800 -0.130 0.000 2.400 188 Q HA 0.192 4.532 4.340 -0.000 0.000 0.255 188 Q C -1.769 174.246 176.000 0.024 0.000 1.008 188 Q CA -1.668 53.970 55.803 -0.275 0.000 0.841 188 Q CB 0.968 29.435 28.738 -0.452 0.000 1.220 188 Q HN 0.329 nan 8.270 nan 0.000 0.474 189 P HA -0.179 nan 4.420 nan 0.000 0.223 189 P C 0.494 177.877 177.300 0.138 0.000 1.144 189 P CA 1.138 64.319 63.100 0.135 0.000 0.783 189 P CB 0.234 32.022 31.700 0.147 0.000 0.771 190 N N -1.296 117.525 118.700 0.202 0.000 2.270 190 N HA 0.014 4.754 4.740 -0.000 0.000 0.198 190 N C 0.170 175.748 175.510 0.113 0.000 1.117 190 N CA 0.162 53.303 53.050 0.153 0.000 0.845 190 N CB 0.119 38.715 38.487 0.182 0.000 0.980 190 N HN 0.084 nan 8.380 nan 0.000 0.486 191 R N 0.691 121.247 120.500 0.094 0.000 2.574 191 R HA 0.295 4.635 4.340 -0.000 0.000 0.288 191 R C -1.793 174.544 176.300 0.061 0.000 1.004 191 R CA -1.588 54.552 56.100 0.066 0.000 0.895 191 R CB 2.401 32.730 30.300 0.048 0.000 1.191 191 R HN -0.094 nan 8.270 nan 0.000 0.444 192 P HA -0.230 nan 4.420 nan 0.000 0.216 192 P C -0.223 177.138 177.300 0.101 0.000 1.157 192 P CA 1.699 64.841 63.100 0.070 0.000 0.880 192 P CB 0.253 31.991 31.700 0.064 0.000 0.791 193 R N -1.659 118.903 120.500 0.104 0.000 2.627 193 R HA 0.600 4.940 4.340 -0.000 0.000 0.251 193 R C -0.777 175.578 176.300 0.091 0.000 1.524 193 R CA -0.389 55.800 56.100 0.148 0.000 1.606 193 R CB 0.219 30.647 30.300 0.214 0.000 1.396 193 R HN -0.173 nan 8.270 nan 0.000 0.724 194 S N 1.211 116.956 115.700 0.075 0.000 2.599 194 S HA 0.850 5.320 4.470 -0.000 0.000 0.287 194 S C -1.008 173.629 174.600 0.063 0.000 1.105 194 S CA -0.722 57.460 58.200 -0.031 0.000 0.899 194 S CB 1.451 64.600 63.200 -0.085 0.000 1.100 194 S HN 0.444 nan 8.310 nan 0.000 0.482 195 F N -0.972 118.909 119.950 -0.116 0.000 2.741 195 F HA 0.780 5.307 4.527 -0.000 0.000 0.313 195 F C -1.405 174.321 175.800 -0.125 0.000 1.153 195 F CA -1.287 56.631 58.000 -0.136 0.000 0.931 195 F CB 0.879 39.823 39.000 -0.094 0.000 1.335 195 F HN 0.443 nan 8.300 nan 0.000 0.460 196 M N 0.969 120.651 119.600 0.136 0.000 2.796 196 M HA 0.737 5.217 4.480 -0.000 0.000 0.303 196 M C -0.968 175.452 176.300 0.199 0.000 1.240 196 M CA -0.885 54.455 55.300 0.066 0.000 0.831 196 M CB 2.498 35.108 32.600 0.017 0.000 1.750 196 M HN 0.824 nan 8.290 nan 0.000 0.484 197 T N 0.669 115.297 114.554 0.124 0.000 2.932 197 T HA 0.612 4.962 4.350 -0.000 0.000 0.318 197 T C -1.540 173.209 174.700 0.083 0.000 1.265 197 T CA -0.639 61.534 62.100 0.123 0.000 1.036 197 T CB 1.101 70.052 68.868 0.137 0.000 1.209 197 T HN 0.536 nan 8.240 nan 0.000 0.484 198 I N 3.348 123.973 120.570 0.092 0.000 2.428 198 I HA 0.431 4.601 4.170 -0.000 0.000 0.289 198 I C 0.265 176.435 176.117 0.088 0.000 1.019 198 I CA -0.598 60.745 61.300 0.072 0.000 1.351 198 I CB 0.779 38.832 38.000 0.089 0.000 1.412 198 I HN 0.576 nan 8.210 nan 0.000 0.513 199 c N 3.202 121.820 118.600 0.030 0.000 2.667 199 c HA 0.415 4.984 4.570 -0.000 0.000 0.323 199 c C 1.766 175.827 174.090 -0.047 0.000 1.214 199 c CA -0.633 55.702 56.329 0.010 0.000 1.721 199 c CB 1.316 43.818 42.510 -0.013 0.000 2.275 199 c HN 1.000 nan 8.230 nan 0.000 0.491 200 G N 0.844 109.620 108.800 -0.039 0.000 2.527 200 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.219 200 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.219 200 G C 0.902 175.715 174.900 -0.144 0.000 1.117 200 G CA 1.411 46.464 45.100 -0.077 0.000 0.759 200 G HN 0.943 nan 8.290 nan 0.000 0.556 201 D N -0.860 119.443 120.400 -0.162 0.000 2.339 201 D HA 0.167 4.807 4.640 -0.000 0.000 0.217 201 D C 1.650 177.749 176.300 -0.335 0.000 1.050 201 D CA 0.619 54.501 54.000 -0.198 0.000 0.856 201 D CB -0.463 40.255 40.800 -0.137 0.000 0.922 201 D HN 0.439 nan 8.370 nan 0.000 0.518 202 G N -0.428 108.073 108.800 -0.499 0.000 2.143 202 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.249 202 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.249 202 G C 0.531 175.093 174.900 -0.563 0.000 0.981 202 G CA 0.104 44.622 45.100 -0.971 0.000 0.665 202 G HN 0.813 nan 8.290 nan 0.000 0.528 203 G N -1.096 107.532 108.800 -0.287 0.000 2.597 203 G HA2 0.749 4.708 3.960 -0.000 0.000 0.317 203 G HA3 0.749 4.708 3.960 -0.000 0.000 0.317 203 G C -0.516 174.336 174.900 -0.081 0.000 1.230 203 G CA -1.125 43.887 45.100 -0.147 0.000 0.996 203 G HN 0.619 nan 8.290 nan 0.000 0.490 204 L N 0.143 121.346 121.223 -0.034 0.000 2.341 204 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 204 L C -0.824 176.042 176.870 -0.007 0.000 1.005 204 L CA -0.890 53.948 54.840 -0.004 0.000 0.818 204 L CB 2.028 44.107 42.059 0.033 0.000 1.259 204 L HN 0.331 nan 8.230 nan 0.000 0.418 205 L N 2.871 124.089 121.223 -0.008 0.000 2.265 205 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 205 L C -0.133 176.689 176.870 -0.079 0.000 1.033 205 L CA 0.382 55.201 54.840 -0.035 0.000 0.814 205 L CB 1.418 43.462 42.059 -0.025 0.000 1.203 205 L HN 0.478 nan 8.230 nan 0.000 0.423 206 T N 6.442 120.929 114.554 -0.112 0.000 2.845 206 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 206 T C -0.211 174.311 174.700 -0.296 0.000 0.980 206 T CA -0.186 61.797 62.100 -0.196 0.000 1.071 206 T CB 0.749 69.538 68.868 -0.131 0.000 0.941 206 T HN 0.330 nan 8.240 nan 0.000 0.487 207 I N 4.028 124.268 120.570 -0.549 0.000 2.418 207 I HA 0.341 4.510 4.170 -0.000 0.000 0.287 207 I C -0.361 175.423 176.117 -0.556 0.000 1.008 207 I CA -0.893 60.038 61.300 -0.614 0.000 1.104 207 I CB 1.735 39.164 38.000 -0.951 0.000 1.264 207 I HN 0.540 nan 8.210 nan 0.000 0.438 208 N N 7.517 126.030 118.700 -0.312 0.000 2.511 208 N HA 0.428 5.168 4.740 -0.000 0.000 0.249 208 N C -0.382 175.027 175.510 -0.167 0.000 0.971 208 N CA -0.470 52.457 53.050 -0.204 0.000 0.938 208 N CB 2.227 40.637 38.487 -0.129 0.000 1.131 208 N HN 0.451 nan 8.380 nan 0.000 0.505 209 L N 0.837 121.968 121.223 -0.152 0.000 2.417 209 L HA 0.367 4.707 4.340 -0.000 0.000 0.268 209 L C 1.490 178.293 176.870 -0.111 0.000 1.158 209 L CA -0.426 54.310 54.840 -0.172 0.000 0.819 209 L CB 0.522 42.423 42.059 -0.264 0.000 1.112 209 L HN 0.414 nan 8.230 nan 0.000 0.458 210 G N 0.651 109.378 108.800 -0.121 0.000 2.502 210 G HA2 0.225 4.185 3.960 -0.000 0.000 0.305 210 G HA3 0.225 4.185 3.960 -0.000 0.000 0.305 210 G C 0.444 175.348 174.900 0.006 0.000 1.190 210 G CA -0.407 44.665 45.100 -0.047 0.000 0.933 210 G HN 0.808 nan 8.290 nan 0.000 0.503 211 E N -0.126 120.118 120.200 0.072 0.000 2.273 211 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 211 E C 1.470 178.211 176.600 0.236 0.000 1.002 211 E CA 1.347 57.846 56.400 0.165 0.000 0.828 211 E CB 0.177 29.938 29.700 0.101 0.000 0.747 211 E HN 0.648 nan 8.360 nan 0.000 0.491 212 D N -0.807 119.657 120.400 0.106 0.000 2.349 212 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 212 D C 1.278 177.587 176.300 0.016 0.000 1.029 212 D CA 0.765 54.822 54.000 0.095 0.000 0.879 212 D CB 0.194 41.011 40.800 0.029 0.000 0.906 212 D HN 0.196 nan 8.370 nan 0.000 0.528 213 G N 0.105 108.755 108.800 -0.251 0.000 2.179 213 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 213 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 213 G C 0.195 174.801 174.900 -0.491 0.000 0.977 213 G CA 0.295 44.863 45.100 -0.887 0.000 0.641 213 G HN 0.489 nan 8.290 nan 0.000 0.533 214 K N -0.066 120.175 120.400 -0.266 0.000 2.095 214 K HA 0.582 4.902 4.320 -0.000 0.000 0.252 214 K C 0.613 177.117 176.600 -0.160 0.000 0.977 214 K CA -0.880 55.299 56.287 -0.180 0.000 0.900 214 K CB 2.143 34.579 32.500 -0.107 0.000 1.060 214 K HN -0.012 nan 8.250 nan 0.000 0.449 215 V N 3.493 123.330 119.914 -0.129 0.000 2.442 215 V HA -0.112 4.008 4.120 -0.000 0.000 0.272 215 V C 1.165 177.199 176.094 -0.099 0.000 0.989 215 V CA 0.565 62.792 62.300 -0.121 0.000 1.123 215 V CB -0.198 31.565 31.823 -0.101 0.000 1.008 215 V HN 0.981 nan 8.190 nan 0.000 0.469 216 A N 4.975 127.734 122.820 -0.102 0.000 1.840 216 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 216 A C 1.198 178.740 177.584 -0.070 0.000 1.198 216 A CA 1.324 53.317 52.037 -0.074 0.000 0.608 216 A CB -0.046 18.915 19.000 -0.064 0.000 0.839 216 A HN 0.953 nan 8.150 nan 0.000 0.443 217 S N -1.874 113.775 115.700 -0.085 0.000 2.651 217 S HA 0.618 5.088 4.470 -0.000 0.000 0.279 217 S C -0.904 173.634 174.600 -0.104 0.000 1.148 217 S CA -0.364 57.789 58.200 -0.078 0.000 0.837 217 S CB 1.452 64.616 63.200 -0.059 0.000 1.138 217 S HN 0.803 nan 8.310 nan 0.000 0.478 218 Q N -0.383 119.364 119.800 -0.089 0.000 2.553 218 Q HA 0.855 5.194 4.340 -0.000 0.000 0.293 218 Q C -1.638 174.318 176.000 -0.073 0.000 1.038 218 Q CA -1.131 54.610 55.803 -0.103 0.000 0.777 218 Q CB 1.998 30.674 28.738 -0.102 0.000 1.487 218 Q HN 1.059 nan 8.270 nan 0.000 0.426 219 S N -0.008 115.648 115.700 -0.073 0.000 2.548 219 S HA 0.566 5.036 4.470 -0.000 0.000 0.278 219 S C -1.188 173.387 174.600 -0.041 0.000 1.150 219 S CA -1.101 57.072 58.200 -0.046 0.000 0.907 219 S CB 1.651 64.831 63.200 -0.034 0.000 1.108 219 S HN 0.629 nan 8.310 nan 0.000 0.459 220 R N 1.441 121.924 120.500 -0.029 0.000 2.460 220 R HA 0.676 5.016 4.340 -0.000 0.000 0.303 220 R C 0.284 176.576 176.300 -0.013 0.000 0.968 220 R CA -0.418 55.666 56.100 -0.025 0.000 0.889 220 R CB 1.972 32.254 30.300 -0.029 0.000 1.123 220 R HN 0.941 nan 8.270 nan 0.000 0.455 221 S N 1.927 117.623 115.700 -0.007 0.000 2.707 221 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 221 S C 0.062 174.658 174.600 -0.007 0.000 1.179 221 S CA -0.830 57.375 58.200 0.008 0.000 0.992 221 S CB 1.411 64.630 63.200 0.032 0.000 1.030 221 S HN 0.390 nan 8.310 nan 0.000 0.554 222 K N 0.412 120.815 120.400 0.004 0.000 2.149 222 K HA 0.152 4.472 4.320 -0.000 0.000 0.245 222 K C 0.350 176.933 176.600 -0.029 0.000 1.024 222 K CA -0.439 55.843 56.287 -0.008 0.000 0.899 222 K CB 0.217 32.723 32.500 0.011 0.000 1.038 222 K HN 0.683 nan 8.250 nan 0.000 0.496 223 Q N 1.538 121.304 119.800 -0.056 0.000 2.315 223 Q HA -0.110 4.230 4.340 -0.000 0.000 0.289 223 Q C 0.424 176.384 176.000 -0.066 0.000 1.044 223 Q CA 0.393 56.127 55.803 -0.115 0.000 0.920 223 Q CB 0.625 29.285 28.738 -0.130 0.000 1.214 223 Q HN 0.628 nan 8.270 nan 0.000 0.392 224 M N 4.503 124.030 119.600 -0.121 0.000 2.691 224 M HA 0.207 4.687 4.480 -0.000 0.000 0.261 224 M C -0.767 175.510 176.300 -0.038 0.000 1.227 224 M CA 0.387 55.701 55.300 0.023 0.000 1.197 224 M CB 0.662 33.311 32.600 0.081 0.000 1.294 224 M HN 0.613 nan 8.290 nan 0.000 0.508 225 F N -1.807 117.921 119.950 -0.369 0.000 2.643 225 F HA 0.636 5.162 4.527 -0.000 0.000 0.314 225 F C -0.833 174.806 175.800 -0.268 0.000 1.096 225 F CA -1.317 56.356 58.000 -0.546 0.000 0.953 225 F CB 1.009 39.322 39.000 -1.144 0.000 1.345 225 F HN -0.267 nan 8.300 nan 0.000 0.468 226 S N 1.315 116.988 115.700 -0.045 0.000 2.439 226 S HA 0.343 4.813 4.470 -0.000 0.000 0.282 226 S C 0.787 175.392 174.600 0.008 0.000 1.170 226 S CA -0.553 57.597 58.200 -0.084 0.000 1.054 226 S CB 0.781 63.989 63.200 0.015 0.000 0.956 226 S HN 0.628 nan 8.310 nan 0.000 0.490 227 V N 6.343 126.150 119.914 -0.178 0.000 2.392 227 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 227 V C 2.307 178.382 176.094 -0.033 0.000 1.059 227 V CA 2.408 64.678 62.300 -0.050 0.000 1.051 227 V CB -0.745 30.993 31.823 -0.142 0.000 0.658 227 V HN 0.956 nan 8.190 nan 0.000 0.455 228 K N -0.666 119.706 120.400 -0.047 0.000 2.276 228 K HA 0.021 4.341 4.320 -0.000 0.000 0.198 228 K C 1.453 178.051 176.600 -0.003 0.000 1.052 228 K CA 1.159 57.421 56.287 -0.041 0.000 0.984 228 K CB -0.155 32.319 32.500 -0.043 0.000 0.836 228 K HN 0.278 nan 8.250 nan 0.000 0.490 229 D N 0.575 120.986 120.400 0.019 0.000 2.289 229 D HA -0.040 4.600 4.640 -0.000 0.000 0.207 229 D C -0.194 176.182 176.300 0.125 0.000 0.966 229 D CA 0.984 55.008 54.000 0.039 0.000 0.868 229 D CB 0.282 41.092 40.800 0.016 0.000 0.943 229 D HN 0.312 nan 8.370 nan 0.000 0.514 230 D N -0.343 120.160 120.400 0.172 0.000 3.449 230 D HA 0.084 4.724 4.640 -0.000 0.000 0.262 230 D C -2.723 173.631 176.300 0.091 0.000 1.343 230 D CA -1.291 52.871 54.000 0.271 0.000 0.787 230 D CB 0.918 41.916 40.800 0.329 0.000 1.412 230 D HN -0.118 nan 8.370 nan 0.000 0.652 231 P HA 0.120 nan 4.420 nan 0.000 0.266 231 P C 0.299 177.249 177.300 -0.582 0.000 1.195 231 P CA -0.159 62.700 63.100 -0.402 0.000 0.768 231 P CB 0.855 32.138 31.700 -0.696 0.000 0.838 232 I N -0.809 119.242 120.570 -0.864 0.000 2.793 232 I HA 0.514 4.683 4.170 -0.000 0.000 0.313 232 I C -0.129 175.855 176.117 -0.222 0.000 0.998 232 I CA -1.324 59.676 61.300 -0.500 0.000 1.140 232 I CB 0.678 38.208 38.000 -0.782 0.000 1.327 232 I HN -0.010 nan 8.210 nan 0.000 0.491 233 F N 2.679 122.648 119.950 0.033 0.000 2.399 233 F HA 0.316 4.843 4.527 -0.000 0.000 0.342 233 F C 1.538 177.441 175.800 0.172 0.000 1.106 233 F CA -0.525 57.558 58.000 0.138 0.000 1.196 233 F CB 1.102 40.202 39.000 0.168 0.000 1.163 233 F HN 0.503 nan 8.300 nan 0.000 0.547 234 I N 0.334 121.083 120.570 0.299 0.000 2.676 234 I HA 0.103 4.273 4.170 -0.000 0.000 0.259 234 I C 1.011 177.362 176.117 0.391 0.000 1.194 234 I CA 0.282 61.752 61.300 0.284 0.000 1.473 234 I CB -0.651 37.437 38.000 0.147 0.000 1.096 234 I HN 0.431 nan 8.210 nan 0.000 0.443 235 A N 4.473 127.536 122.820 0.406 0.000 2.484 235 A HA 0.414 4.734 4.320 -0.000 0.000 0.268 235 A C -2.257 175.441 177.584 0.190 0.000 1.114 235 A CA -0.920 51.309 52.037 0.320 0.000 0.780 235 A CB -0.664 18.530 19.000 0.324 0.000 1.061 235 A HN 0.318 nan 8.150 nan 0.000 0.505 236 P HA 0.500 nan 4.420 nan 0.000 0.287 236 P C -0.850 176.354 177.300 -0.160 0.000 1.279 236 P CA -0.572 62.353 63.100 -0.291 0.000 0.867 236 P CB 1.920 33.401 31.700 -0.365 0.000 1.127 237 A N 3.009 125.711 122.820 -0.197 0.000 2.582 237 A HA 0.370 4.690 4.320 -0.000 0.000 0.336 237 A C -0.360 177.214 177.584 -0.017 0.000 1.445 237 A CA -0.488 51.539 52.037 -0.016 0.000 0.997 237 A CB -0.755 18.304 19.000 0.098 0.000 1.148 237 A HN 0.470 nan 8.150 nan 0.000 0.514 238 L N 2.387 123.608 121.223 -0.003 0.000 2.313 238 L HA 0.332 4.671 4.340 -0.000 0.000 0.282 238 L C 0.164 177.067 176.870 0.055 0.000 1.092 238 L CA 0.367 55.226 54.840 0.031 0.000 0.831 238 L CB 0.503 42.595 42.059 0.054 0.000 1.159 238 L HN 0.707 nan 8.230 nan 0.000 0.442 239 D N 2.077 122.503 120.400 0.044 0.000 2.560 239 D HA 0.133 4.772 4.640 -0.000 0.000 0.277 239 D C 0.552 176.881 176.300 0.048 0.000 1.194 239 D CA -0.307 53.707 54.000 0.023 0.000 1.092 239 D CB 1.436 42.218 40.800 -0.030 0.000 1.169 239 D HN 0.414 nan 8.370 nan 0.000 0.607 240 K N -0.349 120.054 120.400 0.004 0.000 2.137 240 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 240 K C 0.695 177.315 176.600 0.032 0.000 1.052 240 K CA 1.507 57.816 56.287 0.037 0.000 0.961 240 K CB 0.113 32.616 32.500 0.005 0.000 0.741 240 K HN 0.379 nan 8.250 nan 0.000 0.452 241 D N -0.556 119.710 120.400 -0.225 0.000 2.582 241 D HA 0.065 4.705 4.640 -0.000 0.000 0.246 241 D C -0.746 174.658 176.300 -1.493 0.000 1.334 241 D CA -0.322 53.289 54.000 -0.649 0.000 0.805 241 D CB 0.099 40.714 40.800 -0.310 0.000 1.087 241 D HN 0.271 nan 8.370 nan 0.000 0.499 242 K N -0.772 118.976 120.400 -1.086 0.000 2.568 242 K HA 0.757 5.077 4.320 -0.000 0.000 0.273 242 K C -1.813 174.617 176.600 -0.283 0.000 0.951 242 K CA -1.078 54.742 56.287 -0.778 0.000 0.854 242 K CB 2.053 34.280 32.500 -0.454 0.000 1.424 242 K HN -0.051 nan 8.250 nan 0.000 0.427 243 A N 2.204 124.976 122.820 -0.081 0.000 2.374 243 A HA 0.560 4.880 4.320 -0.000 0.000 0.305 243 A C -1.260 176.140 177.584 -0.306 0.000 1.053 243 A CA -0.790 51.153 52.037 -0.157 0.000 0.726 243 A CB 0.739 19.766 19.000 0.045 0.000 1.229 243 A HN 0.723 nan 8.150 nan 0.000 0.431 244 H N 1.093 120.074 119.070 -0.148 0.000 2.463 244 H HA 0.655 5.211 4.556 -0.000 0.000 0.332 244 H C -1.386 173.755 175.328 -0.312 0.000 1.127 244 H CA -0.100 55.939 56.048 -0.015 0.000 1.238 244 H CB 1.333 31.147 29.762 0.086 0.000 1.478 244 H HN 0.531 nan 8.280 nan 0.000 0.499 245 F N 0.319 120.428 119.950 0.265 0.000 2.588 245 F HA 0.356 4.883 4.527 -0.000 0.000 0.314 245 F C 0.164 176.047 175.800 0.139 0.000 1.069 245 F CA -1.124 56.985 58.000 0.181 0.000 0.931 245 F CB 1.730 40.815 39.000 0.141 0.000 1.260 245 F HN 0.259 nan 8.300 nan 0.000 0.465 246 V N -0.580 119.501 119.914 0.278 0.000 2.769 246 V HA 0.902 5.021 4.120 -0.000 0.000 0.312 246 V C -0.223 176.068 176.094 0.330 0.000 1.058 246 V CA -0.753 61.646 62.300 0.164 0.000 0.952 246 V CB 1.288 33.100 31.823 -0.018 0.000 1.019 246 V HN 0.873 nan 8.190 nan 0.000 0.445 247 S N 2.213 118.078 115.700 0.275 0.000 2.718 247 S HA 0.493 4.963 4.470 -0.000 0.000 0.300 247 S C 0.648 175.474 174.600 0.376 0.000 1.117 247 S CA -0.571 57.807 58.200 0.297 0.000 1.002 247 S CB 0.945 64.305 63.200 0.267 0.000 1.092 247 S HN 0.721 nan 8.310 nan 0.000 0.542 248 Y N -0.434 119.810 120.300 -0.094 0.000 2.193 248 Y HA -0.208 4.342 4.550 -0.000 0.000 0.285 248 Y C 1.001 176.686 175.900 -0.357 0.000 1.166 248 Y CA 1.376 59.298 58.100 -0.297 0.000 1.181 248 Y CB -0.297 37.672 38.460 -0.817 0.000 0.976 248 Y HN 0.710 nan 8.280 nan 0.000 0.520 249 Y N -0.366 120.060 120.300 0.210 0.000 2.596 249 Y HA 0.306 4.856 4.550 -0.000 0.000 0.316 249 Y C 1.382 177.313 175.900 0.053 0.000 1.156 249 Y CA 0.071 58.233 58.100 0.103 0.000 1.300 249 Y CB 0.177 38.687 38.460 0.083 0.000 1.130 249 Y HN 0.172 nan 8.280 nan 0.000 0.518 250 G N 0.387 109.254 108.800 0.112 0.000 2.176 250 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 250 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 250 G C -0.043 174.836 174.900 -0.035 0.000 1.024 250 G CA -0.153 44.955 45.100 0.013 0.000 0.755 250 G HN 0.355 nan 8.290 nan 0.000 0.507 251 N N -1.082 117.617 118.700 -0.001 0.000 2.478 251 N HA 0.714 5.454 4.740 -0.000 0.000 0.275 251 N C -0.116 175.215 175.510 -0.298 0.000 1.221 251 N CA -0.202 52.759 53.050 -0.149 0.000 0.979 251 N CB 1.852 40.313 38.487 -0.044 0.000 1.202 251 N HN 0.172 nan 8.380 nan 0.000 0.564 252 V N 1.399 120.935 119.914 -0.631 0.000 2.623 252 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 252 V C -1.219 174.613 176.094 -0.438 0.000 1.054 252 V CA -0.691 61.238 62.300 -0.618 0.000 0.882 252 V CB 0.962 31.948 31.823 -1.394 0.000 1.002 252 V HN 0.508 nan 8.190 nan 0.000 0.424 253 Y N 1.185 121.558 120.300 0.122 0.000 2.621 253 Y HA 0.793 5.342 4.550 -0.000 0.000 0.334 253 Y C 0.627 176.794 175.900 0.446 0.000 1.074 253 Y CA -0.553 57.715 58.100 0.280 0.000 1.149 253 Y CB 2.478 41.084 38.460 0.243 0.000 1.302 253 Y HN 0.610 nan 8.280 nan 0.000 0.501 254 S N 0.137 116.188 115.700 0.584 0.000 2.595 254 S HA 0.842 5.312 4.470 -0.000 0.000 0.281 254 S C -1.448 173.393 174.600 0.402 0.000 1.117 254 S CA -0.849 57.642 58.200 0.484 0.000 0.873 254 S CB 1.860 65.309 63.200 0.415 0.000 1.108 254 S HN 0.693 nan 8.310 nan 0.000 0.477 255 A N 1.929 124.955 122.820 0.342 0.000 2.702 255 A HA 0.484 4.804 4.320 -0.000 0.000 0.305 255 A C -1.047 176.662 177.584 0.209 0.000 1.213 255 A CA -0.563 51.675 52.037 0.336 0.000 0.745 255 A CB 0.333 19.636 19.000 0.506 0.000 1.161 255 A HN 0.677 nan 8.150 nan 0.000 0.445 256 D N 2.679 123.131 120.400 0.086 0.000 2.317 256 D HA 0.344 4.984 4.640 -0.000 0.000 0.252 256 D C -0.513 175.782 176.300 -0.009 0.000 1.174 256 D CA 0.019 53.961 54.000 -0.098 0.000 0.866 256 D CB 0.371 41.137 40.800 -0.057 0.000 1.127 256 D HN 0.424 nan 8.370 nan 0.000 0.467 257 F N 1.671 121.645 119.950 0.039 0.000 2.831 257 F HA 0.253 4.780 4.527 -0.000 0.000 0.355 257 F C 1.236 177.050 175.800 0.023 0.000 1.341 257 F CA -0.812 57.208 58.000 0.034 0.000 1.201 257 F CB -0.182 38.842 39.000 0.040 0.000 1.058 257 F HN 0.154 nan 8.300 nan 0.000 0.514 258 S N -0.867 114.804 115.700 -0.048 0.000 2.470 258 S HA 0.365 4.835 4.470 -0.000 0.000 0.222 258 S C 1.212 175.831 174.600 0.033 0.000 1.024 258 S CA 0.318 58.503 58.200 -0.025 0.000 0.931 258 S CB -0.445 62.709 63.200 -0.077 0.000 0.791 258 S HN 0.508 nan 8.310 nan 0.000 0.513 259 G N 0.919 109.743 108.800 0.040 0.000 2.543 259 G HA2 0.349 4.309 3.960 -0.000 0.000 0.290 259 G HA3 0.349 4.309 3.960 -0.000 0.000 0.290 259 G C -0.059 174.877 174.900 0.060 0.000 1.310 259 G CA -0.206 44.919 45.100 0.042 0.000 1.025 259 G HN 0.135 nan 8.290 nan 0.000 0.502 260 D N -0.155 120.271 120.400 0.042 0.000 2.117 260 D HA -0.038 4.602 4.640 -0.000 0.000 0.197 260 D C 0.733 177.058 176.300 0.041 0.000 0.987 260 D CA 1.129 55.151 54.000 0.037 0.000 0.829 260 D CB 0.261 41.074 40.800 0.021 0.000 0.961 260 D HN 0.386 nan 8.370 nan 0.000 0.460 261 E N 0.322 120.549 120.200 0.044 0.000 2.249 261 E HA 0.391 4.741 4.350 -0.000 0.000 0.263 261 E C -0.255 176.390 176.600 0.076 0.000 0.950 261 E CA -0.947 55.481 56.400 0.046 0.000 0.827 261 E CB 2.052 31.771 29.700 0.031 0.000 1.220 261 E HN -0.230 nan 8.360 nan 0.000 0.411 262 V N 1.862 121.828 119.914 0.087 0.000 2.461 262 V HA 0.128 4.247 4.120 -0.000 0.000 0.275 262 V C -0.085 176.069 176.094 0.099 0.000 1.047 262 V CA -0.395 61.980 62.300 0.126 0.000 0.955 262 V CB 0.611 32.524 31.823 0.149 0.000 0.988 262 V HN 0.416 nan 8.190 nan 0.000 0.471 263 K N 4.273 124.734 120.400 0.103 0.000 2.334 263 K HA 0.465 4.784 4.320 -0.000 0.000 0.265 263 K C -0.428 176.245 176.600 0.120 0.000 1.039 263 K CA -0.277 56.063 56.287 0.089 0.000 0.920 263 K CB 1.386 33.926 32.500 0.067 0.000 1.160 263 K HN 0.592 nan 8.250 nan 0.000 0.451 264 V N -0.890 119.103 119.914 0.131 0.000 3.036 264 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 264 V C -0.052 176.159 176.094 0.195 0.000 1.070 264 V CA -0.414 61.993 62.300 0.180 0.000 1.056 264 V CB 1.688 33.611 31.823 0.168 0.000 1.084 264 V HN 0.671 nan 8.190 nan 0.000 0.471 265 D N -0.812 119.749 120.400 0.270 0.000 2.692 265 D HA 0.718 5.358 4.640 -0.000 0.000 0.303 265 D C -0.274 176.230 176.300 0.341 0.000 1.278 265 D CA 0.915 55.071 54.000 0.260 0.000 0.852 265 D CB 1.786 42.713 40.800 0.212 0.000 1.375 265 D HN 1.606 nan 8.370 nan 0.000 0.453 266 G N 0.255 109.190 108.800 0.227 0.000 2.479 266 G HA2 0.220 4.180 3.960 -0.000 0.000 0.686 266 G HA3 0.220 4.180 3.960 -0.000 0.000 0.686 266 G C -2.941 171.938 174.900 -0.035 0.000 1.295 266 G CA -0.472 44.637 45.100 0.014 0.000 0.922 266 G HN 0.506 nan 8.290 nan 0.000 0.582 267 P HA 0.663 nan 4.420 nan 0.000 0.292 267 P C -0.917 176.333 177.300 -0.083 0.000 1.300 267 P CA -0.710 62.066 63.100 -0.540 0.000 0.900 267 P CB 1.160 32.402 31.700 -0.764 0.000 1.139 268 W N 0.541 121.729 121.300 -0.188 0.000 2.683 268 W HA 0.498 5.157 4.660 -0.000 0.000 0.329 268 W C -0.840 175.649 176.519 -0.049 0.000 1.037 268 W CA -1.152 56.144 57.345 -0.082 0.000 1.232 268 W CB 0.739 30.165 29.460 -0.057 0.000 1.390 268 W HN 0.252 nan 8.180 nan 0.000 0.465 269 S N 2.231 117.995 115.700 0.107 0.000 2.564 269 S HA 0.220 4.689 4.470 -0.000 0.000 0.278 269 S C 0.909 175.545 174.600 0.061 0.000 1.333 269 S CA -0.290 57.922 58.200 0.020 0.000 1.048 269 S CB 0.742 63.990 63.200 0.080 0.000 0.900 269 S HN 0.546 nan 8.310 nan 0.000 0.505 270 L N 3.977 125.183 121.223 -0.028 0.000 2.509 270 L HA 0.268 4.608 4.340 -0.000 0.000 0.222 270 L C -0.208 176.819 176.870 0.262 0.000 1.123 270 L CA 0.224 55.115 54.840 0.084 0.000 0.856 270 L CB -0.211 41.861 42.059 0.021 0.000 0.985 270 L HN 0.474 nan 8.230 nan 0.000 0.456 271 L N 0.214 121.558 121.223 0.202 0.000 2.317 271 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 271 L C -0.198 176.760 176.870 0.146 0.000 1.024 271 L CA -0.872 54.108 54.840 0.234 0.000 0.810 271 L CB 0.940 43.125 42.059 0.211 0.000 1.240 271 L HN 0.072 nan 8.230 nan 0.000 0.427 272 N N -0.053 118.710 118.700 0.106 0.000 2.476 272 N HA 0.150 4.890 4.740 -0.000 0.000 0.287 272 N C 0.265 175.822 175.510 0.079 0.000 1.262 272 N CA -0.682 52.405 53.050 0.061 0.000 0.980 272 N CB 0.395 38.885 38.487 0.005 0.000 1.163 272 N HN 0.459 nan 8.380 nan 0.000 0.592 273 D N -0.718 119.717 120.400 0.058 0.000 2.144 273 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 273 D C 1.107 177.458 176.300 0.085 0.000 0.984 273 D CA 1.188 55.227 54.000 0.065 0.000 0.834 273 D CB 0.002 40.829 40.800 0.045 0.000 0.955 273 D HN 0.745 nan 8.370 nan 0.000 0.465 274 E N 0.623 120.870 120.200 0.079 0.000 2.152 274 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 274 E C 1.113 177.826 176.600 0.189 0.000 0.983 274 E CA 0.620 57.085 56.400 0.107 0.000 0.818 274 E CB 0.261 30.006 29.700 0.075 0.000 0.758 274 E HN 0.128 nan 8.360 nan 0.000 0.467 275 D N 0.759 121.274 120.400 0.193 0.000 2.178 275 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 275 D C 1.662 178.196 176.300 0.390 0.000 0.974 275 D CA 0.937 55.145 54.000 0.348 0.000 0.841 275 D CB 0.017 41.005 40.800 0.313 0.000 0.953 275 D HN 0.220 nan 8.370 nan 0.000 0.478 276 K N 0.705 121.244 120.400 0.232 0.000 2.116 276 K HA 0.085 4.404 4.320 -0.000 0.000 0.203 276 K C 2.170 178.858 176.600 0.147 0.000 1.052 276 K CA 0.789 57.180 56.287 0.173 0.000 0.952 276 K CB 0.028 32.599 32.500 0.119 0.000 0.729 276 K HN -0.019 nan 8.250 nan 0.000 0.446 277 A N 1.822 124.727 122.820 0.142 0.000 1.978 277 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 277 A C 1.686 179.336 177.584 0.110 0.000 1.170 277 A CA 1.492 53.594 52.037 0.109 0.000 0.636 277 A CB -0.080 18.981 19.000 0.101 0.000 0.810 277 A HN 0.038 nan 8.150 nan 0.000 0.448 278 K N -0.020 120.484 120.400 0.174 0.000 2.387 278 K HA 0.079 4.399 4.320 -0.000 0.000 0.198 278 K C -0.201 176.374 176.600 -0.042 0.000 1.022 278 K CA -0.115 56.229 56.287 0.094 0.000 1.128 278 K CB -0.134 32.501 32.500 0.225 0.000 0.853 278 K HN 0.545 nan 8.250 nan 0.000 0.523 279 N N 0.852 119.587 118.700 0.059 0.000 2.725 279 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 279 N C -0.994 174.477 175.510 -0.064 0.000 1.031 279 N CA 0.699 53.755 53.050 0.011 0.000 0.720 279 N CB -1.370 37.095 38.487 -0.037 0.000 0.930 279 N HN 0.238 nan 8.380 nan 0.000 0.543 280 W N 0.260 121.524 121.300 -0.061 0.000 2.190 280 W HA 0.430 5.090 4.660 -0.000 0.000 0.330 280 W C 1.090 177.425 176.519 -0.306 0.000 1.299 280 W CA -0.193 57.028 57.345 -0.206 0.000 1.215 280 W CB 0.771 30.125 29.460 -0.177 0.000 1.147 280 W HN 0.073 nan 8.180 nan 0.000 0.563 281 V N 0.586 120.328 119.914 -0.286 0.000 3.216 281 V HA 0.627 4.747 4.120 -0.000 0.000 0.302 281 V C -2.958 172.886 176.094 -0.416 0.000 1.286 281 V CA -3.410 58.703 62.300 -0.311 0.000 1.048 281 V CB 1.752 33.418 31.823 -0.261 0.000 1.081 281 V HN 0.245 nan 8.190 nan 0.000 0.442 282 P HA 0.572 nan 4.420 nan 0.000 0.275 282 P C -0.162 177.110 177.300 -0.046 0.000 1.227 282 P CA 0.487 63.449 63.100 -0.230 0.000 0.781 282 P CB 1.055 32.556 31.700 -0.332 0.000 0.906 283 G N 0.632 109.460 108.800 0.047 0.000 2.731 283 G HA2 0.681 4.641 3.960 -0.000 0.000 0.298 283 G HA3 0.681 4.641 3.960 -0.000 0.000 0.298 283 G C -0.766 174.164 174.900 0.050 0.000 1.424 283 G CA -0.337 44.860 45.100 0.162 0.000 1.029 283 G HN 0.780 nan 8.290 nan 0.000 0.518 284 G N -0.077 108.716 108.800 -0.013 0.000 2.315 284 G HA2 0.263 4.223 3.960 -0.000 0.000 0.296 284 G HA3 0.263 4.223 3.960 -0.000 0.000 0.296 284 G C -0.540 174.303 174.900 -0.095 0.000 1.289 284 G CA -0.111 44.995 45.100 0.011 0.000 0.996 284 G HN 0.641 nan 8.290 nan 0.000 0.487 285 Y N 0.031 120.436 120.300 0.175 0.000 2.740 285 Y HA 0.381 4.931 4.550 -0.000 0.000 0.199 285 Y C 1.819 177.852 175.900 0.222 0.000 0.981 285 Y CA 0.370 58.560 58.100 0.150 0.000 1.479 285 Y CB 0.129 38.445 38.460 -0.240 0.000 1.152 285 Y HN 0.338 nan 8.280 nan 0.000 0.472 286 N N 3.148 122.017 118.700 0.282 0.000 3.103 286 N HA 0.078 4.818 4.740 -0.000 0.000 0.305 286 N C 0.848 176.447 175.510 0.148 0.000 1.232 286 N CA 0.189 53.373 53.050 0.223 0.000 1.190 286 N CB -0.061 38.515 38.487 0.149 0.000 1.461 286 N HN 0.491 nan 8.380 nan 0.000 0.538 287 L N -1.199 120.087 121.223 0.105 0.000 2.599 287 L HA 0.179 4.519 4.340 -0.000 0.000 0.230 287 L C 0.457 177.125 176.870 -0.337 0.000 1.141 287 L CA 0.195 54.997 54.840 -0.062 0.000 0.877 287 L CB -0.093 41.928 42.059 -0.062 0.000 1.009 287 L HN -0.083 nan 8.230 nan 0.000 0.447 288 V N -2.536 117.265 119.914 -0.189 0.000 3.074 288 V HA 1.042 5.162 4.120 -0.000 0.000 0.314 288 V C -0.109 175.931 176.094 -0.090 0.000 1.117 288 V CA 0.077 62.277 62.300 -0.168 0.000 1.014 288 V CB 1.323 33.089 31.823 -0.095 0.000 1.057 288 V HN 0.123 nan 8.190 nan 0.000 0.438 289 G N 0.813 109.599 108.800 -0.025 0.000 2.698 289 G HA2 0.658 4.617 3.960 -0.000 0.000 0.293 289 G HA3 0.658 4.617 3.960 -0.000 0.000 0.293 289 G C -2.349 172.624 174.900 0.122 0.000 1.437 289 G CA -0.731 44.373 45.100 0.007 0.000 0.852 289 G HN 1.215 nan 8.290 nan 0.000 0.499 290 L N 1.224 122.507 121.223 0.101 0.000 2.406 290 L HA 0.505 4.845 4.340 -0.000 0.000 0.272 290 L C -0.538 176.416 176.870 0.140 0.000 0.980 290 L CA -0.844 54.100 54.840 0.173 0.000 0.831 290 L CB 1.723 43.873 42.059 0.152 0.000 1.253 290 L HN 0.724 nan 8.230 nan 0.000 0.406 291 H N 5.164 124.315 119.070 0.134 0.000 2.872 291 H HA 0.269 4.825 4.556 -0.000 0.000 0.273 291 H C 0.613 175.986 175.328 0.075 0.000 1.205 291 H CA -0.000 56.090 56.048 0.071 0.000 1.342 291 H CB 0.740 30.579 29.762 0.129 0.000 1.469 291 H HN 0.742 nan 8.280 nan 0.000 0.487 292 R N 2.914 123.335 120.500 -0.131 0.000 2.105 292 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 292 R C 2.166 178.425 176.300 -0.068 0.000 1.135 292 R CA 1.433 57.494 56.100 -0.066 0.000 0.967 292 R CB -0.026 30.229 30.300 -0.075 0.000 0.861 292 R HN 0.551 nan 8.270 nan 0.000 0.442 293 A N 0.793 123.487 122.820 -0.210 0.000 2.070 293 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 293 A C 2.000 179.650 177.584 0.110 0.000 1.159 293 A CA 1.777 53.778 52.037 -0.060 0.000 0.656 293 A CB -0.180 18.764 19.000 -0.094 0.000 0.800 293 A HN 0.443 nan 8.150 nan 0.000 0.453 294 S N -3.634 112.225 115.700 0.266 0.000 2.559 294 S HA 0.424 4.894 4.470 -0.000 0.000 0.226 294 S C 1.342 176.024 174.600 0.137 0.000 1.030 294 S CA 1.070 59.401 58.200 0.218 0.000 0.956 294 S CB 0.077 63.422 63.200 0.242 0.000 0.900 294 S HN 1.844 nan 8.310 nan 0.000 0.510 295 G N 2.026 110.912 108.800 0.143 0.000 2.155 295 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 295 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 295 G C 0.033 174.987 174.900 0.091 0.000 0.983 295 G CA 0.006 45.164 45.100 0.097 0.000 0.676 295 G HN 0.569 nan 8.290 nan 0.000 0.528 296 R N -0.241 120.348 120.500 0.149 0.000 2.347 296 R HA 0.503 4.843 4.340 -0.000 0.000 0.304 296 R C 0.402 176.792 176.300 0.150 0.000 1.072 296 R CA -0.128 56.021 56.100 0.081 0.000 0.980 296 R CB 0.826 31.164 30.300 0.064 0.000 0.986 296 R HN 0.408 nan 8.270 nan 0.000 0.448 297 M N 3.631 123.226 119.600 -0.008 0.000 2.268 297 M HA 0.317 4.797 4.480 -0.000 0.000 0.344 297 M C -1.581 174.660 176.300 -0.099 0.000 1.106 297 M CA -0.713 54.628 55.300 0.068 0.000 1.010 297 M CB 1.018 33.637 32.600 0.032 0.000 1.649 297 M HN 0.420 nan 8.290 nan 0.000 0.443 298 Y N 3.497 123.769 120.300 -0.047 0.000 2.360 298 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 298 Y C -0.408 175.383 175.900 -0.182 0.000 1.039 298 Y CA -0.823 57.218 58.100 -0.099 0.000 1.109 298 Y CB 1.619 39.995 38.460 -0.141 0.000 1.201 298 Y HN 0.394 nan 8.280 nan 0.000 0.458 299 V N 3.497 123.372 119.914 -0.065 0.000 2.971 299 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 299 V C -0.914 175.123 176.094 -0.095 0.000 1.130 299 V CA -1.544 60.654 62.300 -0.171 0.000 0.964 299 V CB 2.280 34.020 31.823 -0.137 0.000 1.029 299 V HN 0.588 nan 8.190 nan 0.000 0.427 300 F N 4.649 124.544 119.950 -0.091 0.000 2.421 300 F HA 0.556 5.082 4.527 -0.000 0.000 0.358 300 F C 0.358 176.075 175.800 -0.138 0.000 1.115 300 F CA -0.408 57.551 58.000 -0.069 0.000 1.160 300 F CB 1.071 40.052 39.000 -0.032 0.000 1.123 300 F HN 0.202 nan 8.300 nan 0.000 0.508 301 M N 4.765 124.381 119.600 0.028 0.000 2.535 301 M HA 0.350 4.829 4.480 -0.000 0.000 0.314 301 M C -0.574 175.832 176.300 0.177 0.000 1.153 301 M CA -0.594 54.620 55.300 -0.144 0.000 0.924 301 M CB 2.081 34.184 32.600 -0.829 0.000 1.710 301 M HN 0.547 nan 8.290 nan 0.000 0.451 302 H N 0.470 119.574 119.070 0.056 0.000 2.782 302 H HA 0.608 5.164 4.556 -0.000 0.000 0.347 302 H C -3.242 171.867 175.328 -0.365 0.000 1.038 302 H CA -1.826 54.184 56.048 -0.064 0.000 1.255 302 H CB 1.761 31.522 29.762 -0.001 0.000 1.623 302 H HN 0.313 nan 8.280 nan 0.000 0.525 303 P HA 0.013 nan 4.420 nan 0.000 0.274 303 P C -0.345 176.666 177.300 -0.482 0.000 1.256 303 P CA 0.014 62.381 63.100 -1.221 0.000 0.795 303 P CB 0.846 31.532 31.700 -1.688 0.000 1.038 304 D N -2.143 118.035 120.400 -0.369 0.000 2.746 304 D HA -0.118 4.522 4.640 -0.000 0.000 0.236 304 D C 0.737 176.978 176.300 -0.097 0.000 1.129 304 D CA 1.258 55.162 54.000 -0.160 0.000 0.691 304 D CB -1.777 38.966 40.800 -0.094 0.000 1.077 304 D HN 0.636 nan 8.370 nan 0.000 0.432 305 G N 0.094 108.802 108.800 -0.153 0.000 2.507 305 G HA2 0.547 4.506 3.960 -0.000 0.000 0.271 305 G HA3 0.547 4.506 3.960 -0.000 0.000 0.271 305 G C 0.425 175.286 174.900 -0.064 0.000 1.189 305 G CA 0.101 45.125 45.100 -0.127 0.000 0.859 305 G HN 0.363 nan 8.290 nan 0.000 0.542 306 K N -0.802 119.561 120.400 -0.063 0.000 2.872 306 K HA 0.341 4.661 4.320 -0.000 0.000 0.291 306 K C -1.123 175.468 176.600 -0.015 0.000 1.000 306 K CA -1.008 55.279 56.287 -0.001 0.000 0.750 306 K CB 0.523 33.021 32.500 -0.003 0.000 1.415 306 K HN 0.379 nan 8.250 nan 0.000 0.361 307 E N 0.245 120.465 120.200 0.034 0.000 2.452 307 E HA 0.250 4.600 4.350 -0.000 0.000 0.261 307 E C 0.851 177.455 176.600 0.007 0.000 0.987 307 E CA 2.365 58.792 56.400 0.045 0.000 0.926 307 E CB 0.049 29.788 29.700 0.064 0.000 0.934 307 E HN 0.845 nan 8.360 nan 0.000 0.452 308 G N 2.915 111.758 108.800 0.071 0.000 2.159 308 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 308 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 308 G C 0.750 175.496 174.900 -0.257 0.000 0.977 308 G CA 0.910 46.022 45.100 0.021 0.000 0.652 308 G HN 0.848 nan 8.290 nan 0.000 0.531 309 T N -2.198 112.119 114.554 -0.395 0.000 3.054 309 T HA 0.198 4.548 4.350 -0.000 0.000 0.255 309 T C 1.829 176.201 174.700 -0.547 0.000 1.035 309 T CA 0.924 62.398 62.100 -1.043 0.000 0.941 309 T CB -0.384 67.897 68.868 -0.979 0.000 1.026 309 T HN 0.762 nan 8.240 nan 0.000 0.533 310 H N 1.761 120.585 119.070 -0.409 0.000 2.560 310 H HA 0.162 4.718 4.556 -0.000 0.000 0.283 310 H C 0.884 176.133 175.328 -0.131 0.000 1.028 310 H CA 0.610 56.472 56.048 -0.311 0.000 1.221 310 H CB -0.218 28.942 29.762 -1.003 0.000 1.363 310 H HN 0.427 nan 8.280 nan 0.000 0.594 311 K N -0.044 120.113 120.400 -0.406 0.000 2.469 311 K HA 0.147 4.467 4.320 -0.000 0.000 0.204 311 K C -0.577 175.967 176.600 -0.093 0.000 1.047 311 K CA -0.555 55.520 56.287 -0.354 0.000 1.072 311 K CB 0.636 32.834 32.500 -0.503 0.000 0.863 311 K HN -0.073 nan 8.250 nan 0.000 0.530 312 F N 2.673 122.369 119.950 -0.423 0.000 2.553 312 F HA 0.112 4.639 4.527 -0.000 0.000 0.356 312 F C -1.744 173.852 175.800 -0.339 0.000 1.142 312 F CA -2.530 55.199 58.000 -0.452 0.000 1.322 312 F CB -0.116 38.391 39.000 -0.822 0.000 1.126 312 F HN -0.108 nan 8.300 nan 0.000 0.599 313 P HA 0.076 nan 4.420 nan 0.000 0.267 313 P C -1.132 176.089 177.300 -0.132 0.000 1.201 313 P CA -0.112 62.894 63.100 -0.158 0.000 0.775 313 P CB 0.422 32.015 31.700 -0.178 0.000 0.854 314 A N 2.399 125.076 122.820 -0.238 0.000 2.451 314 A HA 0.417 4.737 4.320 -0.000 0.000 0.266 314 A C 1.328 178.900 177.584 -0.020 0.000 1.119 314 A CA 0.372 52.315 52.037 -0.157 0.000 0.786 314 A CB -0.303 18.371 19.000 -0.544 0.000 1.061 314 A HN 0.578 nan 8.150 nan 0.000 0.503 315 A N 2.437 125.335 122.820 0.130 0.000 2.021 315 A HA 0.302 4.622 4.320 -0.000 0.000 0.216 315 A C 0.794 178.530 177.584 0.253 0.000 1.163 315 A CA 1.087 53.227 52.037 0.173 0.000 0.676 315 A CB 0.069 19.191 19.000 0.204 0.000 0.818 315 A HN 0.836 nan 8.150 nan 0.000 0.453 316 E N -1.707 118.673 120.200 0.301 0.000 2.430 316 E HA 0.580 4.929 4.350 -0.000 0.000 0.279 316 E C -1.783 175.017 176.600 0.333 0.000 1.003 316 E CA -0.642 55.958 56.400 0.332 0.000 0.801 316 E CB 1.918 31.899 29.700 0.469 0.000 1.313 316 E HN 0.223 nan 8.360 nan 0.000 0.459 317 I N 1.762 122.543 120.570 0.351 0.000 2.406 317 I HA 0.356 4.525 4.170 -0.000 0.000 0.290 317 I C -1.004 175.345 176.117 0.387 0.000 0.999 317 I CA -0.677 60.834 61.300 0.353 0.000 1.124 317 I CB 0.827 38.975 38.000 0.246 0.000 1.289 317 I HN 0.295 nan 8.210 nan 0.000 0.441 318 W N 5.531 126.806 121.300 -0.042 0.000 2.496 318 W HA 0.518 5.177 4.660 -0.000 0.000 0.327 318 W C -0.529 175.846 176.519 -0.241 0.000 1.086 318 W CA -0.908 56.352 57.345 -0.142 0.000 1.222 318 W CB 1.416 30.788 29.460 -0.147 0.000 1.304 318 W HN -0.007 nan 8.180 nan 0.000 0.547 319 V N 6.174 126.002 119.914 -0.144 0.000 2.357 319 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 319 V C 0.071 176.009 176.094 -0.260 0.000 1.018 319 V CA -0.832 61.227 62.300 -0.402 0.000 0.841 319 V CB 0.744 32.298 31.823 -0.450 0.000 0.991 319 V HN 0.338 nan 8.190 nan 0.000 0.437 320 M N 3.461 122.930 119.600 -0.218 0.000 2.436 320 M HA 0.487 4.967 4.480 -0.000 0.000 0.331 320 M C -0.569 175.685 176.300 -0.076 0.000 1.135 320 M CA -0.639 54.619 55.300 -0.070 0.000 0.987 320 M CB 1.756 34.404 32.600 0.080 0.000 1.687 320 M HN 0.543 nan 8.290 nan 0.000 0.445 321 D N 1.999 122.365 120.400 -0.057 0.000 2.359 321 D HA 0.195 4.834 4.640 -0.000 0.000 0.230 321 D C 0.909 177.155 176.300 -0.090 0.000 1.118 321 D CA -0.012 53.944 54.000 -0.072 0.000 0.844 321 D CB 1.335 42.082 40.800 -0.087 0.000 1.059 321 D HN 0.755 nan 8.370 nan 0.000 0.493 322 T N 1.546 116.048 114.554 -0.087 0.000 2.915 322 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 322 T C 1.559 176.109 174.700 -0.249 0.000 1.071 322 T CA 0.863 62.859 62.100 -0.173 0.000 1.132 322 T CB 0.129 68.889 68.868 -0.180 0.000 0.878 322 T HN 0.325 nan 8.240 nan 0.000 0.479 323 K N 1.262 121.565 120.400 -0.161 0.000 2.062 323 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 323 K C 2.560 179.037 176.600 -0.205 0.000 1.051 323 K CA 1.695 57.891 56.287 -0.152 0.000 0.941 323 K CB -0.212 32.234 32.500 -0.090 0.000 0.719 323 K HN 0.614 nan 8.250 nan 0.000 0.440 324 T N -1.951 112.482 114.554 -0.201 0.000 3.060 324 T HA 0.179 4.529 4.350 -0.000 0.000 0.249 324 T C 0.305 174.842 174.700 -0.272 0.000 1.079 324 T CA -0.315 61.666 62.100 -0.199 0.000 1.013 324 T CB -0.030 68.758 68.868 -0.133 0.000 0.975 324 T HN 0.085 nan 8.240 nan 0.000 0.518 325 K N 0.961 121.106 120.400 -0.425 0.000 3.088 325 K HA -0.154 4.166 4.320 -0.000 0.000 0.273 325 K C -0.401 176.144 176.600 -0.092 0.000 1.111 325 K CA 0.625 56.546 56.287 -0.609 0.000 0.803 325 K CB -1.095 30.876 32.500 -0.881 0.000 1.226 325 K HN 0.513 nan 8.250 nan 0.000 0.485 326 Q N 0.298 120.063 119.800 -0.059 0.000 2.399 326 Q HA 0.354 4.694 4.340 -0.000 0.000 0.276 326 Q C -0.386 175.590 176.000 -0.040 0.000 1.098 326 Q CA -0.873 54.914 55.803 -0.026 0.000 0.827 326 Q CB 1.991 30.685 28.738 -0.073 0.000 1.386 326 Q HN 0.199 nan 8.270 nan 0.000 0.443 327 R N 0.621 121.063 120.500 -0.097 0.000 2.390 327 R HA 0.230 4.569 4.340 -0.000 0.000 0.291 327 R C 0.794 176.973 176.300 -0.203 0.000 1.070 327 R CA 0.091 56.077 56.100 -0.190 0.000 1.014 327 R CB 0.519 30.588 30.300 -0.385 0.000 1.007 327 R HN 0.547 nan 8.270 nan 0.000 0.466 328 V N 0.461 120.253 119.914 -0.203 0.000 3.604 328 V HA 0.563 4.682 4.120 -0.000 0.000 0.277 328 V C 0.018 175.998 176.094 -0.189 0.000 1.399 328 V CA 0.606 62.800 62.300 -0.176 0.000 1.034 328 V CB 0.360 32.096 31.823 -0.145 0.000 0.824 328 V HN 0.699 nan 8.190 nan 0.000 0.439 329 A N 1.332 124.010 122.820 -0.236 0.000 2.594 329 A HA 0.841 5.161 4.320 -0.000 0.000 0.296 329 A C -0.752 176.677 177.584 -0.258 0.000 1.056 329 A CA -0.699 51.211 52.037 -0.212 0.000 0.693 329 A CB 1.360 20.268 19.000 -0.152 0.000 1.278 329 A HN 0.720 nan 8.150 nan 0.000 0.408 330 R N 1.260 121.623 120.500 -0.228 0.000 2.604 330 R HA 0.862 5.202 4.340 -0.000 0.000 0.281 330 R C -1.031 175.239 176.300 -0.051 0.000 1.020 330 R CA -0.553 55.426 56.100 -0.202 0.000 0.899 330 R CB 1.442 31.462 30.300 -0.466 0.000 1.205 330 R HN 1.333 nan 8.270 nan 0.000 0.450 331 I N -2.303 118.299 120.570 0.055 0.000 3.102 331 I HA 0.591 4.761 4.170 -0.000 0.000 0.310 331 I C -2.893 173.311 176.117 0.145 0.000 1.246 331 I CA -3.363 57.987 61.300 0.083 0.000 0.979 331 I CB 2.686 40.726 38.000 0.067 0.000 1.267 331 I HN 0.343 nan 8.210 nan 0.000 0.451 332 P HA 0.088 nan 4.420 nan 0.000 0.264 332 P C 0.594 177.993 177.300 0.165 0.000 1.183 332 P CA 0.357 63.553 63.100 0.160 0.000 0.763 332 P CB 0.680 32.464 31.700 0.140 0.000 0.807 333 G N 3.361 112.247 108.800 0.144 0.000 2.880 333 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 333 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 333 G C 0.369 175.278 174.900 0.014 0.000 1.157 333 G CA -0.272 44.877 45.100 0.082 0.000 0.779 333 G HN 0.519 nan 8.290 nan 0.000 0.539 334 R N 0.455 120.986 120.500 0.052 0.000 3.502 334 R HA -0.165 4.175 4.340 -0.000 0.000 0.266 334 R C -0.266 176.007 176.300 -0.046 0.000 1.077 334 R CA 0.612 56.728 56.100 0.027 0.000 0.718 334 R CB -1.967 28.380 30.300 0.079 0.000 1.120 334 R HN 0.369 nan 8.270 nan 0.000 0.457 335 D N -2.640 117.709 120.400 -0.086 0.000 2.811 335 D HA -0.211 4.429 4.640 -0.000 0.000 0.231 335 D C 0.384 176.559 176.300 -0.208 0.000 1.157 335 D CA 1.666 55.583 54.000 -0.137 0.000 0.716 335 D CB -0.965 39.773 40.800 -0.103 0.000 1.077 335 D HN 0.691 nan 8.370 nan 0.000 0.428 336 A N -0.440 122.176 122.820 -0.341 0.000 2.366 336 A HA 0.536 4.856 4.320 -0.000 0.000 0.249 336 A C 1.364 178.568 177.584 -0.634 0.000 1.084 336 A CA -0.102 51.657 52.037 -0.463 0.000 0.794 336 A CB 0.588 19.249 19.000 -0.564 0.000 1.034 336 A HN 0.252 nan 8.150 nan 0.000 0.491 337 L N -0.009 121.047 121.223 -0.278 0.000 2.730 337 L HA 0.205 4.544 4.340 -0.000 0.000 0.236 337 L C 0.512 177.601 176.870 0.365 0.000 1.061 337 L CA 0.398 55.244 54.840 0.010 0.000 0.898 337 L CB 0.436 42.567 42.059 0.121 0.000 1.270 337 L HN 0.607 nan 8.230 nan 0.000 0.500 338 S N 0.292 116.225 115.700 0.388 0.000 2.599 338 S HA 0.805 5.275 4.470 -0.000 0.000 0.287 338 S C -0.670 174.176 174.600 0.411 0.000 1.105 338 S CA -0.612 57.829 58.200 0.402 0.000 0.899 338 S CB 2.557 65.855 63.200 0.164 0.000 1.100 338 S HN 0.184 nan 8.310 nan 0.000 0.482 339 M N 0.041 119.765 119.600 0.207 0.000 2.716 339 M HA 0.853 5.333 4.480 -0.000 0.000 0.278 339 M C -1.128 175.211 176.300 0.064 0.000 1.281 339 M CA -0.472 54.896 55.300 0.113 0.000 0.814 339 M CB 2.069 34.625 32.600 -0.074 0.000 1.719 339 M HN 0.518 nan 8.290 nan 0.000 0.457 340 T N 0.748 115.347 114.554 0.075 0.000 2.885 340 T HA 0.684 5.034 4.350 -0.000 0.000 0.322 340 T C -2.010 172.774 174.700 0.139 0.000 1.387 340 T CA -0.629 61.538 62.100 0.112 0.000 1.041 340 T CB 1.630 70.594 68.868 0.159 0.000 1.287 340 T HN 0.605 nan 8.240 nan 0.000 0.491 341 I N 3.374 123.995 120.570 0.085 0.000 2.465 341 I HA 0.421 4.590 4.170 -0.000 0.000 0.291 341 I C -0.383 175.649 176.117 -0.141 0.000 1.014 341 I CA -0.780 60.502 61.300 -0.031 0.000 1.093 341 I CB 1.851 39.792 38.000 -0.098 0.000 1.267 341 I HN 0.697 nan 8.210 nan 0.000 0.431 342 D N 6.259 126.388 120.400 -0.451 0.000 2.392 342 D HA 0.171 4.811 4.640 -0.000 0.000 0.228 342 D C 0.726 176.804 176.300 -0.370 0.000 1.074 342 D CA -0.312 53.273 54.000 -0.692 0.000 0.838 342 D CB 1.595 41.416 40.800 -1.631 0.000 1.067 342 D HN 0.354 nan 8.370 nan 0.000 0.511 343 Q N 2.617 122.270 119.800 -0.244 0.000 2.002 343 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 343 Q C 1.696 177.600 176.000 -0.159 0.000 0.988 343 Q CA 1.367 57.044 55.803 -0.209 0.000 0.843 343 Q CB -0.193 28.434 28.738 -0.185 0.000 0.908 343 Q HN 0.681 nan 8.270 nan 0.000 0.420 344 Q N 0.347 120.067 119.800 -0.133 0.000 2.062 344 Q HA -0.190 4.150 4.340 -0.000 0.000 0.209 344 Q C 1.862 177.830 176.000 -0.054 0.000 0.996 344 Q CA 1.613 57.370 55.803 -0.078 0.000 0.859 344 Q CB 0.006 28.712 28.738 -0.054 0.000 0.920 344 Q HN 0.167 nan 8.270 nan 0.000 0.415 345 R N 0.605 121.050 120.500 -0.093 0.000 2.313 345 R HA 0.070 4.410 4.340 -0.000 0.000 0.199 345 R C -0.188 176.092 176.300 -0.032 0.000 0.958 345 R CA 0.105 56.176 56.100 -0.050 0.000 1.047 345 R CB -0.003 30.267 30.300 -0.050 0.000 0.955 345 R HN 0.282 nan 8.270 nan 0.000 0.481 346 N N 0.593 119.280 118.700 -0.022 0.000 2.726 346 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 346 N C -1.061 174.438 175.510 -0.018 0.000 1.059 346 N CA 0.840 53.935 53.050 0.074 0.000 0.701 346 N CB -1.355 37.202 38.487 0.117 0.000 0.899 346 N HN 0.238 nan 8.380 nan 0.000 0.548 347 L N -0.262 120.892 121.223 -0.116 0.000 2.323 347 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 347 L C 0.237 177.062 176.870 -0.075 0.000 1.012 347 L CA -0.766 54.015 54.840 -0.098 0.000 0.820 347 L CB 2.221 44.170 42.059 -0.183 0.000 1.334 347 L HN 0.179 nan 8.230 nan 0.000 0.427 348 M N 2.373 122.005 119.600 0.054 0.000 2.386 348 M HA 0.555 5.035 4.480 -0.000 0.000 0.293 348 M C -2.216 174.227 176.300 0.238 0.000 1.120 348 M CA -0.451 54.887 55.300 0.063 0.000 0.909 348 M CB 2.277 34.797 32.600 -0.132 0.000 1.661 348 M HN 0.458 nan 8.290 nan 0.000 0.452 349 L N 4.076 125.432 121.223 0.222 0.000 2.333 349 L HA 0.636 4.976 4.340 -0.000 0.000 0.280 349 L C -0.261 176.734 176.870 0.207 0.000 1.004 349 L CA -0.712 54.232 54.840 0.173 0.000 0.820 349 L CB 2.221 44.274 42.059 -0.011 0.000 1.247 349 L HN 0.808 nan 8.230 nan 0.000 0.416 350 T N 0.839 115.565 114.554 0.286 0.000 2.888 350 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 350 T C -0.804 174.001 174.700 0.174 0.000 1.017 350 T CA -0.760 61.544 62.100 0.339 0.000 1.022 350 T CB 2.372 71.540 68.868 0.500 0.000 1.013 350 T HN 0.300 nan 8.240 nan 0.000 0.465 351 L N 2.132 123.438 121.223 0.139 0.000 2.436 351 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 351 L C -0.560 176.307 176.870 -0.004 0.000 0.974 351 L CA -0.424 54.441 54.840 0.040 0.000 0.826 351 L CB 2.096 44.170 42.059 0.025 0.000 1.291 351 L HN 0.859 nan 8.230 nan 0.000 0.406 352 D N 1.769 122.146 120.400 -0.039 0.000 2.368 352 D HA 0.416 5.056 4.640 -0.000 0.000 0.218 352 D C 1.108 177.367 176.300 -0.069 0.000 1.112 352 D CA 0.507 54.465 54.000 -0.070 0.000 0.834 352 D CB 0.759 41.515 40.800 -0.074 0.000 0.953 352 D HN 0.891 nan 8.370 nan 0.000 0.505 353 G N -0.804 107.958 108.800 -0.063 0.000 2.307 353 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.210 353 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.210 353 G C 1.070 175.942 174.900 -0.046 0.000 1.005 353 G CA -0.029 45.026 45.100 -0.075 0.000 0.634 353 G HN 0.763 nan 8.290 nan 0.000 0.496 354 G N -0.421 108.356 108.800 -0.038 0.000 2.626 354 G HA2 0.338 4.298 3.960 -0.000 0.000 0.193 354 G HA3 0.338 4.298 3.960 -0.000 0.000 0.193 354 G C 0.033 174.911 174.900 -0.037 0.000 1.195 354 G CA 0.477 45.564 45.100 -0.021 0.000 0.864 354 G HN 0.408 nan 8.290 nan 0.000 0.790 355 N N 0.578 119.248 118.700 -0.050 0.000 2.321 355 N HA 0.540 5.279 4.740 -0.000 0.000 0.299 355 N C -1.240 174.226 175.510 -0.073 0.000 1.048 355 N CA -0.239 52.769 53.050 -0.071 0.000 0.836 355 N CB 2.950 41.401 38.487 -0.060 0.000 1.269 355 N HN -0.151 nan 8.380 nan 0.000 0.486 356 V N 2.590 122.435 119.914 -0.114 0.000 2.384 356 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 356 V C -0.184 175.851 176.094 -0.098 0.000 1.020 356 V CA -0.840 61.398 62.300 -0.104 0.000 0.850 356 V CB 1.029 32.750 31.823 -0.169 0.000 0.987 356 V HN 0.525 nan 8.190 nan 0.000 0.436 357 N N 3.398 122.067 118.700 -0.051 0.000 2.430 357 N HA 0.498 5.238 4.740 -0.000 0.000 0.292 357 N C -0.786 174.639 175.510 -0.142 0.000 1.051 357 N CA -0.355 52.616 53.050 -0.133 0.000 0.917 357 N CB 2.496 40.918 38.487 -0.109 0.000 1.164 357 N HN 0.367 nan 8.380 nan 0.000 0.484 358 V N 3.248 123.019 119.914 -0.239 0.000 2.328 358 V HA 0.353 4.472 4.120 -0.000 0.000 0.278 358 V C -0.786 175.185 176.094 -0.206 0.000 1.021 358 V CA -0.596 61.635 62.300 -0.116 0.000 0.838 358 V CB -0.364 31.453 31.823 -0.011 0.000 0.999 358 V HN 0.494 nan 8.190 nan 0.000 0.447 359 Y N 1.771 122.103 120.300 0.053 0.000 2.487 359 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 359 Y C 0.107 176.023 175.900 0.027 0.000 1.076 359 Y CA -0.984 57.145 58.100 0.047 0.000 1.115 359 Y CB 1.630 40.123 38.460 0.055 0.000 1.235 359 Y HN 0.596 nan 8.280 nan 0.000 0.468 360 D N 2.639 123.163 120.400 0.208 0.000 2.329 360 D HA 0.270 4.910 4.640 -0.000 0.000 0.232 360 D C -0.038 176.316 176.300 0.091 0.000 1.088 360 D CA -0.412 53.655 54.000 0.111 0.000 0.835 360 D CB 0.618 41.470 40.800 0.087 0.000 1.078 360 D HN 0.549 nan 8.370 nan 0.000 0.495 361 I N 1.130 121.715 120.570 0.025 0.000 3.816 361 I HA 0.186 4.356 4.170 -0.000 0.000 0.334 361 I C 1.030 177.081 176.117 -0.110 0.000 1.551 361 I CA -0.421 60.870 61.300 -0.015 0.000 1.153 361 I CB 0.165 38.124 38.000 -0.068 0.000 1.197 361 I HN 0.179 nan 8.210 nan 0.000 0.439 362 S N -0.639 115.029 115.700 -0.054 0.000 2.474 362 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 362 S C 0.935 175.501 174.600 -0.056 0.000 0.997 362 S CA 0.520 58.687 58.200 -0.055 0.000 0.949 362 S CB -0.265 62.935 63.200 -0.000 0.000 0.766 362 S HN 0.569 nan 8.310 nan 0.000 0.517 363 Q N 0.219 119.995 119.800 -0.039 0.000 2.416 363 Q HA 0.456 4.796 4.340 -0.000 0.000 0.279 363 Q C -2.228 173.752 176.000 -0.034 0.000 1.101 363 Q CA -2.329 53.456 55.803 -0.030 0.000 0.830 363 Q CB 1.435 30.169 28.738 -0.008 0.000 1.402 363 Q HN -0.049 nan 8.270 nan 0.000 0.445 364 P HA -0.155 nan 4.420 nan 0.000 0.215 364 P C -0.243 177.028 177.300 -0.050 0.000 1.157 364 P CA 1.278 64.340 63.100 -0.063 0.000 0.874 364 P CB 0.362 32.019 31.700 -0.072 0.000 0.790 365 E N 0.145 120.328 120.200 -0.028 0.000 2.229 365 E HA 0.189 4.539 4.350 -0.000 0.000 0.283 365 E C -2.305 174.319 176.600 0.040 0.000 1.030 365 E CA -2.597 53.797 56.400 -0.010 0.000 0.836 365 E CB 0.432 30.126 29.700 -0.011 0.000 1.068 365 E HN 0.014 nan 8.360 nan 0.000 0.401 366 P HA 0.064 nan 4.420 nan 0.000 0.271 366 P C -1.367 176.044 177.300 0.185 0.000 1.216 366 P CA 0.002 63.174 63.100 0.120 0.000 0.776 366 P CB 0.540 32.256 31.700 0.026 0.000 0.881 367 K N 3.258 123.799 120.400 0.234 0.000 2.425 367 K HA 0.320 4.640 4.320 -0.000 0.000 0.259 367 K C -0.900 175.843 176.600 0.237 0.000 0.978 367 K CA -0.943 55.465 56.287 0.202 0.000 0.883 367 K CB 0.524 33.092 32.500 0.113 0.000 1.110 367 K HN 0.275 nan 8.250 nan 0.000 0.436 368 L N 6.764 128.102 121.223 0.191 0.000 2.456 368 L HA 0.096 4.436 4.340 -0.000 0.000 0.277 368 L C 0.291 177.105 176.870 -0.093 0.000 1.124 368 L CA 0.496 55.272 54.840 -0.106 0.000 0.880 368 L CB 0.173 42.167 42.059 -0.108 0.000 1.192 368 L HN 0.835 nan 8.230 nan 0.000 0.463 369 L N 4.968 126.118 121.223 -0.123 0.000 2.145 369 L HA 0.215 4.555 4.340 -0.000 0.000 0.201 369 L C 0.940 177.773 176.870 -0.062 0.000 1.075 369 L CA 0.476 55.288 54.840 -0.047 0.000 0.773 369 L CB -0.360 41.703 42.059 0.008 0.000 0.936 369 L HN 0.779 nan 8.230 nan 0.000 0.451 370 R N -1.464 118.972 120.500 -0.107 0.000 2.728 370 R HA 0.432 4.771 4.340 -0.000 0.000 0.274 370 R C -1.566 174.660 176.300 -0.123 0.000 1.032 370 R CA -0.707 55.342 56.100 -0.086 0.000 0.866 370 R CB 1.261 31.538 30.300 -0.037 0.000 1.263 370 R HN -0.300 nan 8.270 nan 0.000 0.475 371 T N 2.169 116.663 114.554 -0.099 0.000 2.809 371 T HA 0.447 4.797 4.350 -0.000 0.000 0.284 371 T C -0.122 174.518 174.700 -0.099 0.000 0.992 371 T CA -0.603 61.434 62.100 -0.106 0.000 0.957 371 T CB 0.822 69.636 68.868 -0.090 0.000 0.942 371 T HN 0.388 nan 8.240 nan 0.000 0.439 372 I N 3.532 124.021 120.570 -0.136 0.000 2.281 372 I HA 0.200 4.370 4.170 -0.000 0.000 0.293 372 I C 0.773 176.786 176.117 -0.174 0.000 1.085 372 I CA -0.435 60.755 61.300 -0.183 0.000 1.257 372 I CB 0.395 38.190 38.000 -0.340 0.000 1.430 372 I HN 0.517 nan 8.210 nan 0.000 0.489 373 E N 4.555 124.689 120.200 -0.109 0.000 2.354 373 E HA 0.277 4.627 4.350 -0.000 0.000 0.269 373 E C 0.923 177.479 176.600 -0.073 0.000 1.036 373 E CA -0.013 56.339 56.400 -0.081 0.000 0.876 373 E CB 0.870 30.539 29.700 -0.052 0.000 1.009 373 E HN 0.850 nan 8.360 nan 0.000 0.416 374 G N 2.186 110.953 108.800 -0.055 0.000 2.295 374 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.287 374 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.287 374 G C 0.784 175.683 174.900 -0.002 0.000 1.055 374 G CA 0.344 45.428 45.100 -0.026 0.000 0.922 374 G HN 0.632 nan 8.290 nan 0.000 0.503 375 A N -1.350 121.438 122.820 -0.053 0.000 2.067 375 A HA 0.651 4.971 4.320 -0.000 0.000 0.219 375 A C 1.563 179.303 177.584 0.261 0.000 1.158 375 A CA 2.180 54.196 52.037 -0.035 0.000 0.661 375 A CB 0.052 18.889 19.000 -0.271 0.000 0.801 375 A HN 2.428 nan 8.150 nan 0.000 0.452 376 A N -1.957 120.966 122.820 0.172 0.000 2.586 376 A HA 0.599 4.919 4.320 -0.000 0.000 0.290 376 A C 0.065 177.718 177.584 0.115 0.000 1.086 376 A CA -0.021 52.161 52.037 0.242 0.000 0.665 376 A CB 0.083 19.199 19.000 0.193 0.000 1.279 376 A HN 0.073 nan 8.150 nan 0.000 0.423 377 E N -0.362 119.906 120.200 0.114 0.000 2.166 377 E HA 0.353 4.703 4.350 -0.000 0.000 0.192 377 E C 0.502 177.121 176.600 0.032 0.000 0.967 377 E CA 0.971 57.410 56.400 0.065 0.000 0.840 377 E CB 0.416 30.165 29.700 0.080 0.000 0.795 377 E HN 0.877 nan 8.360 nan 0.000 0.470 378 A N 1.362 124.197 122.820 0.025 0.000 3.005 378 A HA 0.345 4.665 4.320 -0.000 0.000 0.308 378 A C -0.825 176.722 177.584 -0.062 0.000 1.173 378 A CA -0.443 51.582 52.037 -0.021 0.000 0.796 378 A CB 1.084 20.090 19.000 0.010 0.000 1.325 378 A HN -0.000 nan 8.150 nan 0.000 0.467 379 S N 1.450 117.106 115.700 -0.073 0.000 2.500 379 S HA 0.715 5.185 4.470 -0.000 0.000 0.301 379 S C 0.036 174.553 174.600 -0.138 0.000 1.092 379 S CA -0.510 57.631 58.200 -0.098 0.000 1.030 379 S CB 0.866 64.042 63.200 -0.040 0.000 1.031 379 S HN 0.587 nan 8.310 nan 0.000 0.483 380 L N 3.429 124.535 121.223 -0.195 0.000 3.069 380 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 380 L C 0.361 177.145 176.870 -0.143 0.000 1.201 380 L CA 0.005 54.706 54.840 -0.230 0.000 1.015 380 L CB 0.399 42.174 42.059 -0.473 0.000 1.371 380 L HN 0.630 nan 8.230 nan 0.000 0.574 381 Q N 0.937 120.680 119.800 -0.095 0.000 2.309 381 Q HA 0.552 4.892 4.340 -0.000 0.000 0.273 381 Q C -1.952 174.044 176.000 -0.007 0.000 1.040 381 Q CA -0.213 55.565 55.803 -0.041 0.000 0.834 381 Q CB 3.803 32.508 28.738 -0.056 0.000 1.345 381 Q HN -0.091 nan 8.270 nan 0.000 0.414 382 V N 3.537 123.461 119.914 0.016 0.000 2.777 382 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 382 V C -1.963 174.140 176.094 0.014 0.000 1.112 382 V CA -0.122 62.181 62.300 0.006 0.000 0.917 382 V CB 2.459 34.260 31.823 -0.037 0.000 1.018 382 V HN 0.919 nan 8.190 nan 0.000 0.426 383 Q N 4.607 124.431 119.800 0.039 0.000 2.389 383 Q HA 0.589 4.929 4.340 -0.000 0.000 0.277 383 Q C -1.635 174.431 176.000 0.111 0.000 1.082 383 Q CA -0.476 55.385 55.803 0.097 0.000 0.810 383 Q CB 3.077 31.894 28.738 0.131 0.000 1.374 383 Q HN 0.695 nan 8.270 nan 0.000 0.422 384 F N 0.754 120.786 119.950 0.136 0.000 2.389 384 F HA 0.160 4.687 4.527 -0.000 0.000 0.337 384 F C 0.877 176.828 175.800 0.253 0.000 1.112 384 F CA -0.288 57.815 58.000 0.171 0.000 1.192 384 F CB 0.634 39.679 39.000 0.075 0.000 1.185 384 F HN 0.461 nan 8.300 nan 0.000 0.552 385 H N 3.346 122.686 119.070 0.451 0.000 2.732 385 H HA 0.174 4.730 4.556 -0.000 0.000 0.351 385 H C -2.358 173.112 175.328 0.236 0.000 1.090 385 H CA -1.736 54.535 56.048 0.372 0.000 1.431 385 H CB 1.089 31.075 29.762 0.372 0.000 1.447 385 H HN 0.249 nan 8.280 nan 0.000 0.582 386 P HA 0.013 nan 4.420 nan 0.000 0.269 386 P C -0.640 176.795 177.300 0.224 0.000 1.209 386 P CA 0.025 63.214 63.100 0.148 0.000 0.776 386 P CB 0.828 32.538 31.700 0.015 0.000 0.876 387 V N 0.000 119.989 119.914 0.126 0.000 2.409 387 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 387 V CA 0.000 62.359 62.300 0.099 0.000 1.235 387 V CB 0.000 31.878 31.823 0.091 0.000 1.184 387 V HN 0.000 nan 8.190 nan 0.000 0.556