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 1ed6_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.315 176.600 -0.475 0.000 0.988 69 K CA 0.000 55.964 56.287 -0.539 0.000 0.838 69 K CB 0.000 32.159 32.500 -0.568 0.000 1.064 70 F N 4.672 124.627 119.950 0.008 0.000 2.391 70 F HA 0.321 4.849 4.527 0.002 0.000 0.359 70 F C -1.593 174.284 175.800 0.130 0.000 1.122 70 F CA -1.724 56.304 58.000 0.047 0.000 1.120 70 F CB 0.793 39.807 39.000 0.024 0.000 1.142 70 F HN 0.078 nan 8.300 nan 0.000 0.483 71 P HA 0.107 nan 4.420 nan 0.000 0.271 71 P C -0.731 176.665 177.300 0.161 0.000 1.216 71 P CA -0.489 62.715 63.100 0.173 0.000 0.771 71 P CB 1.229 33.003 31.700 0.122 0.000 0.864 72 R N 2.088 122.629 120.500 0.069 0.000 2.441 72 R HA 0.424 4.765 4.340 0.002 0.000 0.284 72 R C -0.958 175.303 176.300 -0.066 0.000 1.070 72 R CA -0.449 55.587 56.100 -0.107 0.000 1.047 72 R CB 0.551 30.765 30.300 -0.142 0.000 1.016 72 R HN 0.281 nan 8.270 nan 0.000 0.477 73 V N 5.072 124.917 119.914 -0.115 0.000 2.443 73 V HA 0.306 4.427 4.120 0.002 0.000 0.293 73 V C -0.477 175.552 176.094 -0.109 0.000 1.021 73 V CA -0.720 61.550 62.300 -0.049 0.000 0.848 73 V CB 1.430 33.256 31.823 0.005 0.000 0.998 73 V HN 0.760 nan 8.190 nan 0.000 0.424 74 K N 3.964 124.292 120.400 -0.119 0.000 2.156 74 K HA 0.474 4.795 4.320 0.002 0.000 0.250 74 K C -0.506 175.966 176.600 -0.214 0.000 0.955 74 K CA -0.715 55.407 56.287 -0.274 0.000 0.855 74 K CB 1.475 33.632 32.500 -0.571 0.000 1.101 74 K HN 0.670 nan 8.250 nan 0.000 0.434 75 N N 4.019 122.577 118.700 -0.236 0.000 2.564 75 N HA 0.100 4.841 4.740 0.002 0.000 0.248 75 N C -0.441 175.003 175.510 -0.110 0.000 0.986 75 N CA -0.456 52.569 53.050 -0.042 0.000 0.921 75 N CB 0.398 38.898 38.487 0.022 0.000 1.136 75 N HN 0.677 nan 8.380 nan 0.000 0.509 76 W N 1.994 123.367 121.300 0.121 0.000 2.848 76 W HA 0.039 4.701 4.660 0.002 0.000 0.241 76 W C 1.952 178.517 176.519 0.077 0.000 1.289 76 W CA 0.021 57.431 57.345 0.109 0.000 1.396 76 W CB 0.224 29.774 29.460 0.151 0.000 1.138 76 W HN 0.654 nan 8.180 nan 0.000 0.677 77 E N 0.210 120.535 120.200 0.209 0.000 2.127 77 E HA -0.060 4.291 4.350 0.002 0.000 0.191 77 E C 1.752 178.374 176.600 0.037 0.000 0.964 77 E CA 0.785 57.225 56.400 0.067 0.000 0.832 77 E CB -0.142 29.575 29.700 0.027 0.000 0.790 77 E HN 0.270 nan 8.360 nan 0.000 0.465 78 L N -0.995 120.244 121.223 0.028 0.000 2.556 78 L HA 0.358 4.699 4.340 0.002 0.000 0.226 78 L C 1.626 178.473 176.870 -0.038 0.000 1.089 78 L CA 0.482 55.320 54.840 -0.003 0.000 0.864 78 L CB 0.612 42.671 42.059 0.000 0.000 1.067 78 L HN 0.439 nan 8.230 nan 0.000 0.477 79 G N 0.384 109.136 108.800 -0.080 0.000 2.199 79 G HA2 -0.329 3.632 3.960 0.002 0.000 0.254 79 G HA3 -0.329 3.632 3.960 0.002 0.000 0.254 79 G C 0.535 175.333 174.900 -0.170 0.000 0.982 79 G CA 0.426 45.439 45.100 -0.145 0.000 0.632 79 G HN 0.464 nan 8.290 nan 0.000 0.529 80 S N -0.177 115.446 115.700 -0.128 0.000 2.589 80 S HA 0.693 5.164 4.470 0.002 0.000 0.265 80 S C 0.241 174.738 174.600 -0.171 0.000 1.342 80 S CA 0.277 58.405 58.200 -0.121 0.000 1.005 80 S CB 1.401 64.555 63.200 -0.077 0.000 0.909 80 S HN 0.840 nan 8.310 nan 0.000 0.555 81 I N 0.618 121.090 120.570 -0.164 0.000 2.894 81 I HA 0.563 4.734 4.170 0.002 0.000 0.302 81 I C -0.578 175.415 176.117 -0.206 0.000 1.188 81 I CA -0.598 60.573 61.300 -0.215 0.000 1.014 81 I CB 2.785 40.626 38.000 -0.265 0.000 1.242 81 I HN 1.032 nan 8.210 nan 0.000 0.430 82 T N -0.161 114.246 114.554 -0.246 0.000 2.853 82 T HA 0.606 4.957 4.350 0.002 0.000 0.311 82 T C -1.434 173.118 174.700 -0.246 0.000 1.307 82 T CA -0.801 61.184 62.100 -0.193 0.000 1.019 82 T CB 1.379 70.206 68.868 -0.068 0.000 1.264 82 T HN 0.296 nan 8.240 nan 0.000 0.497 83 Y N 0.286 120.577 120.300 -0.015 0.000 2.457 83 Y HA 0.625 5.176 4.550 0.002 0.000 0.333 83 Y C 0.357 176.248 175.900 -0.015 0.000 1.119 83 Y CA -0.910 57.195 58.100 0.008 0.000 1.143 83 Y CB 1.266 39.733 38.460 0.011 0.000 1.230 83 Y HN 0.706 nan 8.280 nan 0.000 0.469 84 D N 0.873 121.384 120.400 0.186 0.000 2.414 84 D HA 0.144 4.785 4.640 0.002 0.000 0.232 84 D C 0.164 176.482 176.300 0.030 0.000 1.070 84 D CA -0.139 53.919 54.000 0.096 0.000 0.839 84 D CB 1.356 42.234 40.800 0.130 0.000 1.079 84 D HN 0.801 nan 8.370 nan 0.000 0.521 85 T N 0.994 115.468 114.554 -0.133 0.000 3.054 85 T HA -0.002 4.350 4.350 0.002 0.000 0.255 85 T C 1.671 176.276 174.700 -0.159 0.000 1.035 85 T CA -0.259 61.644 62.100 -0.328 0.000 0.941 85 T CB 0.247 68.716 68.868 -0.665 0.000 1.026 85 T HN 0.235 nan 8.240 nan 0.000 0.533 86 L N 2.377 123.545 121.223 -0.093 0.000 2.109 86 L HA 0.126 4.467 4.340 0.002 0.000 0.207 86 L C 2.620 179.376 176.870 -0.190 0.000 1.086 86 L CA 1.137 55.946 54.840 -0.051 0.000 0.760 86 L CB -0.906 41.205 42.059 0.087 0.000 0.910 86 L HN 0.640 nan 8.230 nan 0.000 0.437 87 C N -1.299 117.679 119.300 -0.537 0.000 2.409 87 C HA -0.011 4.450 4.460 0.002 0.000 0.288 87 C C 2.765 177.532 174.990 -0.372 0.000 1.395 87 C CA 0.205 58.596 59.018 -1.046 0.000 1.792 87 C CB -2.303 24.778 27.740 -1.098 0.000 1.847 87 C HN 0.562 nan 8.230 nan 0.000 0.534 88 A N 0.410 123.149 122.820 -0.135 0.000 1.969 88 A HA -0.105 4.216 4.320 0.002 0.000 0.218 88 A C 2.284 179.857 177.584 -0.018 0.000 1.169 88 A CA 1.502 53.537 52.037 -0.003 0.000 0.635 88 A CB -0.451 18.627 19.000 0.131 0.000 0.810 88 A HN 0.671 nan 8.150 nan 0.000 0.445 89 Q N 0.353 120.137 119.800 -0.027 0.000 2.472 89 Q HA 0.038 4.379 4.340 0.002 0.000 0.208 89 Q C 0.828 176.842 176.000 0.024 0.000 0.958 89 Q CA 0.477 56.286 55.803 0.010 0.000 0.932 89 Q CB -0.665 28.089 28.738 0.026 0.000 1.007 89 Q HN 0.502 nan 8.270 nan 0.000 0.508 90 S N 1.576 117.276 115.700 -0.001 0.000 2.506 90 S HA -0.024 4.447 4.470 0.002 0.000 0.291 90 S C 0.854 175.476 174.600 0.037 0.000 1.230 90 S CA 0.030 58.258 58.200 0.047 0.000 1.107 90 S CB 0.264 63.482 63.200 0.030 0.000 0.942 90 S HN 0.166 nan 8.310 nan 0.000 0.502 91 Q N 2.435 122.265 119.800 0.049 0.000 2.219 91 Q HA 0.197 4.538 4.340 0.002 0.000 0.209 91 Q C -0.173 175.849 176.000 0.037 0.000 0.854 91 Q CA -0.001 55.825 55.803 0.038 0.000 0.960 91 Q CB 0.616 29.379 28.738 0.042 0.000 1.116 91 Q HN 0.718 nan 8.270 nan 0.000 0.500 92 Q N 1.041 120.868 119.800 0.045 0.000 2.356 92 Q HA 0.244 4.585 4.340 0.002 0.000 0.270 92 Q C -1.543 174.485 176.000 0.046 0.000 1.058 92 Q CA -0.354 55.472 55.803 0.039 0.000 0.802 92 Q CB 1.446 30.204 28.738 0.033 0.000 1.303 92 Q HN -0.130 nan 8.270 nan 0.000 0.444 93 D N 1.844 122.266 120.400 0.036 0.000 2.304 93 D HA 0.484 5.125 4.640 0.002 0.000 0.247 93 D C 0.133 176.458 176.300 0.042 0.000 1.089 93 D CA 0.207 54.230 54.000 0.038 0.000 0.910 93 D CB 1.425 42.242 40.800 0.028 0.000 1.199 93 D HN 0.678 nan 8.370 nan 0.000 0.426 94 G N 0.602 109.432 108.800 0.049 0.000 2.641 94 G HA2 0.361 4.322 3.960 0.002 0.000 0.239 94 G HA3 0.361 4.322 3.960 0.002 0.000 0.239 94 G C -1.685 173.239 174.900 0.041 0.000 1.402 94 G CA -0.567 44.562 45.100 0.048 0.000 1.046 94 G HN 0.374 nan 8.290 nan 0.000 0.565 95 P HA 0.234 nan 4.420 nan 0.000 0.261 95 P C 0.002 177.323 177.300 0.036 0.000 1.268 95 P CA -0.117 63.006 63.100 0.038 0.000 0.833 95 P CB 0.198 31.923 31.700 0.042 0.000 1.231 96 C N 0.881 120.204 119.300 0.039 0.000 2.398 96 C HA 0.665 5.126 4.460 0.002 0.000 0.364 96 C C 0.886 175.893 174.990 0.028 0.000 1.219 96 C CA 0.226 59.265 59.018 0.035 0.000 2.312 96 C CB 1.109 28.874 27.740 0.042 0.000 2.428 96 C HN 0.371 nan 8.230 nan 0.000 0.564 97 T N -0.908 113.660 114.554 0.022 0.000 2.868 97 T HA 0.407 4.758 4.350 0.002 0.000 0.306 97 T C -2.462 172.246 174.700 0.013 0.000 1.224 97 T CA -1.099 61.011 62.100 0.016 0.000 1.012 97 T CB 1.395 70.271 68.868 0.013 0.000 1.221 97 T HN 0.262 nan 8.240 nan 0.000 0.499 98 P HA -0.016 nan 4.420 nan 0.000 0.219 98 P C 1.513 178.816 177.300 0.005 0.000 1.146 98 P CA 0.611 63.715 63.100 0.007 0.000 0.808 98 P CB 0.145 31.846 31.700 0.003 0.000 0.779 99 R N -0.013 120.491 120.500 0.006 0.000 2.092 99 R HA -0.066 4.275 4.340 0.002 0.000 0.231 99 R C 0.579 176.883 176.300 0.005 0.000 1.119 99 R CA 0.971 57.074 56.100 0.005 0.000 0.970 99 R CB 0.151 30.454 30.300 0.005 0.000 0.864 99 R HN 0.108 nan 8.270 nan 0.000 0.440 100 R N -0.495 120.010 120.500 0.008 0.000 2.634 100 R HA 0.109 4.450 4.340 0.002 0.000 0.263 100 R C -1.857 174.451 176.300 0.014 0.000 1.060 100 R CA -0.676 55.429 56.100 0.009 0.000 0.898 100 R CB 0.116 30.421 30.300 0.009 0.000 1.253 100 R HN 0.078 nan 8.270 nan 0.000 0.461 101 C N 4.009 123.317 119.300 0.013 0.000 2.325 101 C HA 0.536 4.997 4.460 0.002 0.000 0.347 101 C C 0.958 175.964 174.990 0.027 0.000 1.263 101 C CA -0.633 58.397 59.018 0.020 0.000 1.806 101 C CB -0.905 26.844 27.740 0.014 0.000 2.405 101 C HN 0.760 nan 8.230 nan 0.000 0.537 102 L N 5.585 126.830 121.223 0.036 0.000 2.910 102 L HA 0.270 4.611 4.340 0.002 0.000 0.252 102 L C 2.173 179.079 176.870 0.061 0.000 1.195 102 L CA 0.340 55.206 54.840 0.043 0.000 1.003 102 L CB -0.152 41.931 42.059 0.039 0.000 1.328 102 L HN 1.017 nan 8.230 nan 0.000 0.540 103 G N 0.066 108.905 108.800 0.065 0.000 2.479 103 G HA2 -0.305 3.656 3.960 0.002 0.000 0.220 103 G HA3 -0.305 3.656 3.960 0.002 0.000 0.220 103 G C 1.678 176.654 174.900 0.126 0.000 1.115 103 G CA 1.192 46.344 45.100 0.088 0.000 0.757 103 G HN 0.442 nan 8.290 nan 0.000 0.560 104 S N -0.600 115.169 115.700 0.114 0.000 2.515 104 S HA 0.169 4.640 4.470 0.002 0.000 0.231 104 S C 0.918 175.610 174.600 0.154 0.000 0.987 104 S CA -0.278 58.006 58.200 0.141 0.000 0.936 104 S CB -0.229 63.029 63.200 0.096 0.000 0.766 104 S HN 0.008 nan 8.310 nan 0.000 0.528 105 L N 1.754 123.053 121.223 0.127 0.000 2.397 105 L HA 0.275 4.616 4.340 0.002 0.000 0.271 105 L C 1.335 178.305 176.870 0.166 0.000 1.148 105 L CA 0.225 55.136 54.840 0.118 0.000 0.825 105 L CB 1.059 43.164 42.059 0.076 0.000 1.117 105 L HN -0.023 nan 8.230 nan 0.000 0.456 106 V N 2.718 122.736 119.914 0.173 0.000 2.379 106 V HA 0.010 4.131 4.120 0.002 0.000 0.243 106 V C 0.738 176.880 176.094 0.079 0.000 1.035 106 V CA 0.879 63.313 62.300 0.224 0.000 1.035 106 V CB -0.187 31.782 31.823 0.243 0.000 0.673 106 V HN 0.447 nan 8.190 nan 0.000 0.457 107 L N 0.539 121.757 121.223 -0.008 0.000 2.325 107 L HA 0.461 4.802 4.340 0.002 0.000 0.278 107 L C -2.359 174.522 176.870 0.019 0.000 1.023 107 L CA -1.727 53.069 54.840 -0.073 0.000 0.811 107 L CB 1.238 43.199 42.059 -0.163 0.000 1.249 107 L HN 0.115 nan 8.230 nan 0.000 0.431 108 P HA 0.217 nan 4.420 nan 0.000 0.274 108 P C -0.095 177.221 177.300 0.027 0.000 1.237 108 P CA -0.508 62.626 63.100 0.057 0.000 0.793 108 P CB 0.996 32.745 31.700 0.082 0.000 0.977 109 R N 1.381 121.894 120.500 0.022 0.000 2.175 109 R HA 0.095 4.436 4.340 0.002 0.000 0.202 109 R C 1.400 177.706 176.300 0.009 0.000 1.018 109 R CA 1.245 57.352 56.100 0.011 0.000 1.029 109 R CB 0.114 30.420 30.300 0.011 0.000 0.959 109 R HN 0.152 nan 8.270 nan 0.000 0.480 110 K N -1.372 119.037 120.400 0.015 0.000 2.529 110 K HA 0.240 4.561 4.320 0.002 0.000 0.215 110 K C -0.066 176.544 176.600 0.017 0.000 1.286 110 K CA 0.150 56.444 56.287 0.012 0.000 0.997 110 K CB 0.525 33.031 32.500 0.011 0.000 1.063 110 K HN 0.048 nan 8.250 nan 0.000 0.590 111 L N 2.271 123.510 121.223 0.027 0.000 2.747 111 L HA 0.226 4.567 4.340 0.002 0.000 0.248 111 L C 0.834 177.727 176.870 0.038 0.000 1.191 111 L CA 0.464 55.323 54.840 0.031 0.000 1.003 111 L CB -0.886 41.197 42.059 0.040 0.000 1.235 111 L HN 0.238 nan 8.230 nan 0.000 0.426 112 Q N -0.070 119.747 119.800 0.028 0.000 2.455 112 Q HA 0.157 4.498 4.340 0.002 0.000 0.184 112 Q C 0.039 176.048 176.000 0.015 0.000 1.145 112 Q CA 0.641 56.460 55.803 0.027 0.000 1.123 112 Q CB 0.453 29.194 28.738 0.005 0.000 2.291 112 Q HN 0.200 nan 8.270 nan 0.000 0.584 113 T N 1.498 116.054 114.554 0.002 0.000 3.418 113 T HA 0.355 4.706 4.350 0.002 0.000 0.315 113 T C -0.820 173.868 174.700 -0.020 0.000 1.447 113 T CA -0.603 61.492 62.100 -0.009 0.000 1.641 113 T CB 0.271 69.136 68.868 -0.006 0.000 0.904 113 T HN 0.297 nan 8.240 nan 0.000 0.640 114 R N 2.304 122.792 120.500 -0.019 0.000 2.740 114 R HA 0.074 4.415 4.340 0.002 0.000 0.263 114 R C -2.115 174.170 176.300 -0.025 0.000 0.997 114 R CA -0.883 55.204 56.100 -0.022 0.000 1.108 114 R CB -0.277 30.013 30.300 -0.016 0.000 0.969 114 R HN 0.294 nan 8.270 nan 0.000 0.431 115 P HA -0.114 nan 4.420 nan 0.000 0.272 115 P C -0.138 177.148 177.300 -0.023 0.000 1.210 115 P CA 0.551 63.636 63.100 -0.024 0.000 0.789 115 P CB 0.430 32.117 31.700 -0.020 0.000 0.849 116 S N 1.044 116.730 115.700 -0.022 0.000 2.422 116 S HA 0.293 4.765 4.470 0.002 0.000 0.226 116 S C -1.645 172.945 174.600 -0.016 0.000 1.242 116 S CA -1.160 57.025 58.200 -0.024 0.000 1.231 116 S CB -0.240 62.938 63.200 -0.036 0.000 1.067 116 S HN 0.293 nan 8.310 nan 0.000 0.462 117 P HA 0.248 nan 4.420 nan 0.000 0.224 117 P C 0.795 178.093 177.300 -0.003 0.000 1.159 117 P CA 0.444 63.541 63.100 -0.005 0.000 0.824 117 P CB 0.036 31.734 31.700 -0.004 0.000 0.833 118 G N 1.702 110.499 108.800 -0.005 0.000 2.416 118 G HA2 0.521 4.482 3.960 0.002 0.000 0.329 118 G HA3 0.521 4.482 3.960 0.002 0.000 0.329 118 G C -2.682 172.215 174.900 -0.006 0.000 1.173 118 G CA -1.509 43.589 45.100 -0.003 0.000 0.929 118 G HN -0.059 nan 8.290 nan 0.000 0.475 119 P HA 0.155 nan 4.420 nan 0.000 0.270 119 P C -2.550 174.747 177.300 -0.006 0.000 1.221 119 P CA -0.629 62.468 63.100 -0.005 0.000 0.788 119 P CB 0.381 32.083 31.700 0.004 0.000 0.904 120 P HA 0.347 nan 4.420 nan 0.000 0.296 120 P C -2.603 174.702 177.300 0.007 0.000 1.306 120 P CA -2.253 60.845 63.100 -0.004 0.000 0.818 120 P CB -0.352 31.341 31.700 -0.012 0.000 0.969 121 P HA -0.127 nan 4.420 nan 0.000 0.252 121 P C 1.112 178.423 177.300 0.018 0.000 1.136 121 P CA 0.603 63.710 63.100 0.011 0.000 0.778 121 P CB -0.088 31.618 31.700 0.010 0.000 0.722 122 A N 4.792 127.624 122.820 0.020 0.000 2.084 122 A HA -0.242 4.079 4.320 0.002 0.000 0.221 122 A C 2.020 179.618 177.584 0.022 0.000 1.161 122 A CA 1.408 53.460 52.037 0.026 0.000 0.653 122 A CB -0.469 18.545 19.000 0.023 0.000 0.802 122 A HN 0.481 nan 8.150 nan 0.000 0.457 123 E N -0.693 119.517 120.200 0.017 0.000 2.047 123 E HA -0.211 4.140 4.350 0.002 0.000 0.191 123 E C 2.180 178.792 176.600 0.020 0.000 0.987 123 E CA 1.625 58.035 56.400 0.015 0.000 0.799 123 E CB -0.282 29.425 29.700 0.012 0.000 0.752 123 E HN 0.766 nan 8.360 nan 0.000 0.449 124 Q N 0.899 120.712 119.800 0.021 0.000 1.969 124 Q HA -0.095 4.246 4.340 0.002 0.000 0.198 124 Q C 2.207 178.230 176.000 0.038 0.000 0.978 124 Q CA 0.912 56.730 55.803 0.026 0.000 0.830 124 Q CB -0.589 28.161 28.738 0.020 0.000 0.896 124 Q HN 0.189 nan 8.270 nan 0.000 0.431 125 L N 0.059 121.309 121.223 0.044 0.000 2.137 125 L HA -0.161 4.180 4.340 0.002 0.000 0.213 125 L C 2.010 178.932 176.870 0.087 0.000 1.085 125 L CA 1.558 56.443 54.840 0.075 0.000 0.760 125 L CB -0.694 41.414 42.059 0.082 0.000 0.893 125 L HN 0.441 nan 8.230 nan 0.000 0.434 126 L N -1.060 120.192 121.223 0.048 0.000 2.109 126 L HA -0.117 4.224 4.340 0.002 0.000 0.207 126 L C 2.737 179.619 176.870 0.019 0.000 1.086 126 L CA 1.920 56.769 54.840 0.015 0.000 0.760 126 L CB -0.724 41.338 42.059 0.004 0.000 0.910 126 L HN 0.582 nan 8.230 nan 0.000 0.437 127 S N -1.818 113.902 115.700 0.034 0.000 2.387 127 S HA -0.205 4.266 4.470 0.002 0.000 0.226 127 S C 1.903 176.544 174.600 0.069 0.000 1.026 127 S CA 0.952 59.177 58.200 0.041 0.000 0.972 127 S CB -0.489 62.732 63.200 0.036 0.000 0.814 127 S HN 0.587 nan 8.310 nan 0.000 0.477 128 Q N 1.236 121.085 119.800 0.082 0.000 2.050 128 Q HA 0.047 4.388 4.340 0.002 0.000 0.202 128 Q C 2.653 178.758 176.000 0.175 0.000 0.980 128 Q CA 1.557 57.430 55.803 0.117 0.000 0.840 128 Q CB -0.612 28.187 28.738 0.102 0.000 0.898 128 Q HN 0.754 nan 8.270 nan 0.000 0.424 129 A N 1.337 124.251 122.820 0.157 0.000 1.865 129 A HA -0.251 4.070 4.320 0.002 0.000 0.217 129 A C 1.991 179.647 177.584 0.120 0.000 1.191 129 A CA 1.694 53.814 52.037 0.138 0.000 0.623 129 A CB -0.576 18.312 19.000 -0.188 0.000 0.826 129 A HN 0.252 nan 8.150 nan 0.000 0.444 130 R N -0.711 119.822 120.500 0.056 0.000 2.105 130 R HA -0.189 4.152 4.340 0.002 0.000 0.239 130 R C 1.985 178.357 176.300 0.121 0.000 1.135 130 R CA 1.667 57.807 56.100 0.068 0.000 0.967 130 R CB -0.509 29.812 30.300 0.035 0.000 0.861 130 R HN 0.733 nan 8.270 nan 0.000 0.442 131 D N 0.104 120.586 120.400 0.136 0.000 2.117 131 D HA -0.180 4.461 4.640 0.002 0.000 0.198 131 D C 1.626 178.042 176.300 0.194 0.000 0.982 131 D CA 0.847 54.935 54.000 0.146 0.000 0.828 131 D CB -0.047 40.836 40.800 0.138 0.000 0.967 131 D HN 0.124 nan 8.370 nan 0.000 0.464 132 F N 0.788 120.821 119.950 0.139 0.000 2.146 132 F HA -0.059 4.469 4.527 0.002 0.000 0.298 132 F C 1.932 177.867 175.800 0.225 0.000 1.096 132 F CA 0.975 59.090 58.000 0.192 0.000 1.275 132 F CB -0.206 38.914 39.000 0.199 0.000 1.008 132 F HN -0.025 nan 8.300 nan 0.000 0.480 133 I N 0.845 121.466 120.570 0.086 0.000 2.264 133 I HA -0.306 3.865 4.170 0.002 0.000 0.248 133 I C 2.121 178.250 176.117 0.020 0.000 1.111 133 I CA 1.180 62.509 61.300 0.049 0.000 1.382 133 I CB -1.617 36.502 38.000 0.200 0.000 1.060 133 I HN 0.251 nan 8.210 nan 0.000 0.418 134 N N 0.839 119.583 118.700 0.074 0.000 2.120 134 N HA -0.197 4.544 4.740 0.002 0.000 0.188 134 N C 1.862 177.321 175.510 -0.084 0.000 1.024 134 N CA 1.169 54.256 53.050 0.060 0.000 0.852 134 N CB -0.228 38.332 38.487 0.122 0.000 1.003 134 N HN 0.485 nan 8.380 nan 0.000 0.424 135 Q N -0.666 119.085 119.800 -0.082 0.000 2.096 135 Q HA -0.202 4.139 4.340 0.002 0.000 0.204 135 Q C 1.815 177.599 176.000 -0.361 0.000 0.982 135 Q CA 1.377 57.133 55.803 -0.078 0.000 0.850 135 Q CB -0.251 28.553 28.738 0.109 0.000 0.901 135 Q HN 0.459 nan 8.270 nan 0.000 0.422 136 Y N -0.162 119.692 120.300 -0.743 0.000 2.145 136 Y HA -0.283 4.268 4.550 0.002 0.000 0.286 136 Y C 1.595 176.917 175.900 -0.963 0.000 1.145 136 Y CA 1.599 58.977 58.100 -1.203 0.000 1.148 136 Y CB -0.437 37.422 38.460 -1.003 0.000 0.981 136 Y HN 0.113 nan 8.280 nan 0.000 0.507 137 Y N -0.485 119.332 120.300 -0.806 0.000 2.439 137 Y HA -0.140 4.411 4.550 0.002 0.000 0.292 137 Y C 2.645 178.208 175.900 -0.560 0.000 1.130 137 Y CA 1.420 59.049 58.100 -0.786 0.000 1.254 137 Y CB -0.252 37.645 38.460 -0.939 0.000 1.000 137 Y HN 0.084 nan 8.280 nan 0.000 0.554 138 S N -0.894 114.595 115.700 -0.352 0.000 2.387 138 S HA -0.200 4.271 4.470 0.002 0.000 0.226 138 S C 2.265 176.701 174.600 -0.273 0.000 1.026 138 S CA 1.162 59.233 58.200 -0.215 0.000 0.972 138 S CB -0.527 62.597 63.200 -0.127 0.000 0.814 138 S HN 0.589 nan 8.310 nan 0.000 0.477 139 S N 2.686 118.116 115.700 -0.450 0.000 2.382 139 S HA -0.085 4.386 4.470 0.002 0.000 0.228 139 S C 1.571 175.936 174.600 -0.392 0.000 1.027 139 S CA 1.225 59.175 58.200 -0.416 0.000 0.991 139 S CB -0.692 62.067 63.200 -0.734 0.000 0.823 139 S HN 0.695 nan 8.310 nan 0.000 0.469 140 I N -2.339 117.899 120.570 -0.554 0.000 3.891 140 I HA 0.429 4.600 4.170 0.002 0.000 0.331 140 I C -0.206 175.763 176.117 -0.246 0.000 1.406 140 I CA -0.645 60.410 61.300 -0.408 0.000 1.139 140 I CB -0.652 37.014 38.000 -0.557 0.000 1.056 140 I HN 0.020 nan 8.210 nan 0.000 0.399 141 K N 2.266 122.547 120.400 -0.198 0.000 3.451 141 K HA -0.170 4.151 4.320 0.002 0.000 0.273 141 K C -0.002 176.557 176.600 -0.069 0.000 0.944 141 K CA 0.552 56.774 56.287 -0.109 0.000 0.734 141 K CB -1.228 31.224 32.500 -0.080 0.000 1.437 141 K HN 0.624 nan 8.250 nan 0.000 0.454 142 R N -0.054 120.419 120.500 -0.044 0.000 2.559 142 R HA 0.075 4.416 4.340 0.002 0.000 0.448 142 R C -0.502 175.866 176.300 0.113 0.000 0.953 142 R CA -0.278 55.853 56.100 0.052 0.000 1.086 142 R CB 1.239 31.609 30.300 0.117 0.000 1.491 142 R HN 0.131 nan 8.270 nan 0.000 0.597 143 S N -0.471 115.268 115.700 0.065 0.000 2.549 143 S HA 0.319 4.790 4.470 0.002 0.000 0.279 143 S C 1.397 176.094 174.600 0.162 0.000 1.321 143 S CA 1.459 59.749 58.200 0.148 0.000 1.054 143 S CB 0.934 64.176 63.200 0.071 0.000 0.899 143 S HN 0.700 nan 8.310 nan 0.000 0.497 144 G N 2.920 111.875 108.800 0.258 0.000 2.189 144 G HA2 -0.324 3.637 3.960 0.002 0.000 0.267 144 G HA3 -0.324 3.637 3.960 0.002 0.000 0.267 144 G C 0.439 175.313 174.900 -0.044 0.000 0.975 144 G CA 0.772 45.864 45.100 -0.014 0.000 0.644 144 G HN 1.411 nan 8.290 nan 0.000 0.537 145 S N -0.921 114.781 115.700 0.003 0.000 2.650 145 S HA 0.313 4.784 4.470 0.002 0.000 0.251 145 S C 1.406 175.961 174.600 -0.074 0.000 1.325 145 S CA 0.909 59.095 58.200 -0.024 0.000 0.967 145 S CB 0.627 63.834 63.200 0.011 0.000 1.000 145 S HN 0.607 nan 8.310 nan 0.000 0.584 146 Q N 0.052 119.820 119.800 -0.054 0.000 2.036 146 Q HA 0.030 4.371 4.340 0.002 0.000 0.195 146 Q C 2.429 178.379 176.000 -0.083 0.000 0.971 146 Q CA 0.955 56.720 55.803 -0.062 0.000 0.826 146 Q CB -0.854 27.866 28.738 -0.030 0.000 0.896 146 Q HN 0.880 nan 8.270 nan 0.000 0.449 147 A N 0.839 123.630 122.820 -0.049 0.000 1.927 147 A HA -0.322 3.999 4.320 0.002 0.000 0.220 147 A C 1.909 179.361 177.584 -0.220 0.000 1.185 147 A CA 2.101 54.120 52.037 -0.029 0.000 0.639 147 A CB -1.375 17.697 19.000 0.121 0.000 0.820 147 A HN 0.753 nan 8.150 nan 0.000 0.451 148 H N -0.743 117.889 119.070 -0.730 0.000 2.267 148 H HA -0.146 4.411 4.556 0.002 0.000 0.297 148 H C 2.077 177.110 175.328 -0.493 0.000 1.080 148 H CA 1.340 56.675 56.048 -1.188 0.000 1.278 148 H CB 0.046 29.182 29.762 -1.043 0.000 1.365 148 H HN 0.470 nan 8.280 nan 0.000 0.489 149 E N 0.647 120.650 120.200 -0.328 0.000 2.085 149 E HA -0.181 4.170 4.350 0.002 0.000 0.194 149 E C 2.063 178.572 176.600 -0.152 0.000 0.994 149 E CA 1.208 57.438 56.400 -0.283 0.000 0.801 149 E CB -0.197 29.374 29.700 -0.215 0.000 0.743 149 E HN 0.718 nan 8.360 nan 0.000 0.453 150 E N 0.293 120.430 120.200 -0.105 0.000 2.216 150 E HA -0.126 4.225 4.350 0.002 0.000 0.192 150 E C 2.133 178.727 176.600 -0.010 0.000 0.988 150 E CA 0.398 56.770 56.400 -0.046 0.000 0.834 150 E CB 0.003 29.690 29.700 -0.022 0.000 0.772 150 E HN -0.063 nan 8.360 nan 0.000 0.479 151 R N 1.463 121.964 120.500 0.002 0.000 2.090 151 R HA -0.049 4.292 4.340 0.002 0.000 0.228 151 R C 2.031 178.365 176.300 0.058 0.000 1.110 151 R CA 1.047 57.197 56.100 0.082 0.000 0.973 151 R CB -0.602 29.820 30.300 0.204 0.000 0.869 151 R HN 0.139 nan 8.270 nan 0.000 0.440 152 L N 0.359 121.595 121.223 0.022 0.000 2.046 152 L HA -0.205 4.136 4.340 0.002 0.000 0.208 152 L C 2.489 179.339 176.870 -0.033 0.000 1.077 152 L CA 1.775 56.610 54.840 -0.008 0.000 0.747 152 L CB -0.445 41.580 42.059 -0.057 0.000 0.896 152 L HN 0.315 nan 8.230 nan 0.000 0.432 153 Q N -0.419 119.360 119.800 -0.035 0.000 2.167 153 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 153 Q C 2.045 178.040 176.000 -0.009 0.000 0.970 153 Q CA 1.268 57.054 55.803 -0.027 0.000 0.855 153 Q CB -0.111 28.610 28.738 -0.029 0.000 0.911 153 Q HN 0.543 nan 8.270 nan 0.000 0.438 154 E N 0.194 120.399 120.200 0.008 0.000 2.051 154 E HA -0.171 4.180 4.350 0.002 0.000 0.192 154 E C 2.131 178.746 176.600 0.025 0.000 0.991 154 E CA 1.386 57.805 56.400 0.032 0.000 0.799 154 E CB 0.027 29.763 29.700 0.060 0.000 0.748 154 E HN 0.120 nan 8.360 nan 0.000 0.449 155 V N 1.843 121.746 119.914 -0.019 0.000 2.295 155 V HA -0.250 3.871 4.120 0.002 0.000 0.246 155 V C 2.234 178.274 176.094 -0.090 0.000 1.049 155 V CA 1.710 63.937 62.300 -0.122 0.000 1.024 155 V CB -0.466 31.167 31.823 -0.317 0.000 0.648 155 V HN 0.238 nan 8.190 nan 0.000 0.447 156 E N 0.343 120.504 120.200 -0.065 0.000 2.070 156 E HA -0.262 4.089 4.350 0.002 0.000 0.197 156 E C 2.375 178.970 176.600 -0.007 0.000 1.004 156 E CA 1.688 58.065 56.400 -0.038 0.000 0.805 156 E CB -0.490 29.191 29.700 -0.031 0.000 0.744 156 E HN 0.588 nan 8.360 nan 0.000 0.451 157 A N 1.310 124.133 122.820 0.004 0.000 1.877 157 A HA -0.245 4.076 4.320 0.002 0.000 0.216 157 A C 2.129 179.739 177.584 0.043 0.000 1.186 157 A CA 1.850 53.901 52.037 0.022 0.000 0.620 157 A CB -0.562 18.453 19.000 0.024 0.000 0.822 157 A HN 0.272 nan 8.150 nan 0.000 0.443 158 E N -0.450 119.790 120.200 0.066 0.000 2.077 158 E HA -0.124 4.227 4.350 0.002 0.000 0.193 158 E C 1.970 178.633 176.600 0.106 0.000 0.989 158 E CA 1.362 57.827 56.400 0.108 0.000 0.800 158 E CB -0.120 29.687 29.700 0.180 0.000 0.746 158 E HN 0.346 nan 8.360 nan 0.000 0.452 159 V N 1.225 121.193 119.914 0.090 0.000 2.261 159 V HA -0.296 3.825 4.120 0.002 0.000 0.246 159 V C 2.444 178.571 176.094 0.055 0.000 1.047 159 V CA 1.901 64.251 62.300 0.082 0.000 1.015 159 V CB -0.948 30.906 31.823 0.053 0.000 0.642 159 V HN 0.425 nan 8.190 nan 0.000 0.446 160 A N -0.504 122.338 122.820 0.037 0.000 1.986 160 A HA -0.240 4.081 4.320 0.002 0.000 0.220 160 A C 2.422 180.025 177.584 0.033 0.000 1.171 160 A CA 2.575 54.629 52.037 0.028 0.000 0.640 160 A CB -0.549 18.462 19.000 0.019 0.000 0.811 160 A HN 0.539 nan 8.150 nan 0.000 0.451 161 S N -1.781 113.945 115.700 0.042 0.000 2.456 161 S HA -0.014 4.457 4.470 0.002 0.000 0.224 161 S C 1.897 176.527 174.600 0.049 0.000 1.035 161 S CA 1.373 59.598 58.200 0.043 0.000 0.940 161 S CB 0.043 63.269 63.200 0.044 0.000 0.799 161 S HN 0.896 nan 8.310 nan 0.000 0.508 162 T N -2.722 111.870 114.554 0.064 0.000 2.975 162 T HA 0.459 4.810 4.350 0.002 0.000 0.257 162 T C 1.405 176.140 174.700 0.059 0.000 1.003 162 T CA 0.826 62.967 62.100 0.067 0.000 0.932 162 T CB 0.560 69.485 68.868 0.095 0.000 1.087 162 T HN 0.499 nan 8.240 nan 0.000 0.512 163 G N 0.377 109.213 108.800 0.059 0.000 2.159 163 G HA2 -0.171 3.790 3.960 0.002 0.000 0.256 163 G HA3 -0.171 3.790 3.960 0.002 0.000 0.256 163 G C 0.154 175.086 174.900 0.053 0.000 0.977 163 G CA 0.536 45.665 45.100 0.049 0.000 0.652 163 G HN 1.047 nan 8.290 nan 0.000 0.531 164 T N -1.446 113.153 114.554 0.075 0.000 2.711 164 T HA 0.718 5.069 4.350 0.002 0.000 0.302 164 T C -1.067 173.721 174.700 0.147 0.000 1.373 164 T CA 0.389 62.519 62.100 0.049 0.000 1.000 164 T CB 1.564 70.383 68.868 -0.082 0.000 1.483 164 T HN 1.549 nan 8.240 nan 0.000 0.499 165 Y N -0.710 119.506 120.300 -0.141 0.000 2.840 165 Y HA 0.853 5.404 4.550 0.002 0.000 0.324 165 Y C -1.573 174.144 175.900 -0.304 0.000 1.378 165 Y CA -1.163 56.906 58.100 -0.051 0.000 1.077 165 Y CB 0.885 39.364 38.460 0.031 0.000 1.361 165 Y HN 0.787 nan 8.280 nan 0.000 0.459 166 H N 0.245 119.370 119.070 0.092 0.000 2.821 166 H HA 0.666 5.223 4.556 0.002 0.000 0.373 166 H C -1.172 174.232 175.328 0.126 0.000 1.165 166 H CA -0.837 55.197 56.048 -0.024 0.000 1.154 166 H CB 2.023 31.805 29.762 0.033 0.000 1.765 166 H HN 0.721 nan 8.280 nan 0.000 0.549 167 L N 1.638 122.959 121.223 0.163 0.000 2.379 167 L HA 0.530 4.871 4.340 0.002 0.000 0.269 167 L C 0.407 177.356 176.870 0.132 0.000 1.084 167 L CA -0.780 54.172 54.840 0.187 0.000 0.802 167 L CB 0.945 43.080 42.059 0.126 0.000 1.175 167 L HN 0.394 nan 8.230 nan 0.000 0.448 168 R N 0.638 121.189 120.500 0.085 0.000 2.459 168 R HA 0.074 4.415 4.340 0.002 0.000 0.281 168 R C 0.924 177.215 176.300 -0.016 0.000 1.050 168 R CA -0.435 55.682 56.100 0.030 0.000 1.055 168 R CB 1.196 31.497 30.300 0.003 0.000 1.045 168 R HN 0.652 nan 8.270 nan 0.000 0.495 169 E N 1.404 121.594 120.200 -0.016 0.000 2.136 169 E HA -0.309 4.042 4.350 0.002 0.000 0.202 169 E C 1.465 178.038 176.600 -0.046 0.000 1.019 169 E CA 2.433 58.812 56.400 -0.036 0.000 0.819 169 E CB 0.099 29.784 29.700 -0.026 0.000 0.739 169 E HN 0.686 nan 8.360 nan 0.000 0.458 170 S N -0.022 115.646 115.700 -0.053 0.000 2.368 170 S HA -0.194 4.277 4.470 0.002 0.000 0.224 170 S C 1.793 176.320 174.600 -0.121 0.000 1.029 170 S CA 1.310 59.481 58.200 -0.047 0.000 0.988 170 S CB -0.347 62.840 63.200 -0.020 0.000 0.838 170 S HN 0.390 nan 8.310 nan 0.000 0.462 171 E N 0.944 120.960 120.200 -0.306 0.000 2.106 171 E HA -0.041 4.310 4.350 0.002 0.000 0.192 171 E C 2.035 178.728 176.600 0.155 0.000 0.984 171 E CA 1.020 57.237 56.400 -0.304 0.000 0.806 171 E CB -0.338 29.237 29.700 -0.210 0.000 0.750 171 E HN 0.442 nan 8.360 nan 0.000 0.458 172 L N 0.784 122.023 121.223 0.027 0.000 2.017 172 L HA -0.156 4.185 4.340 0.002 0.000 0.208 172 L C 2.234 179.085 176.870 -0.033 0.000 1.073 172 L CA 1.325 56.132 54.840 -0.055 0.000 0.745 172 L CB -0.262 41.705 42.059 -0.153 0.000 0.894 172 L HN -0.062 nan 8.230 nan 0.000 0.432 173 V N -0.443 119.475 119.914 0.006 0.000 2.287 173 V HA -0.319 3.802 4.120 0.002 0.000 0.248 173 V C 2.328 178.500 176.094 0.130 0.000 1.053 173 V CA 2.164 64.482 62.300 0.029 0.000 1.027 173 V CB -0.910 30.933 31.823 0.033 0.000 0.646 173 V HN 0.579 nan 8.190 nan 0.000 0.447 174 F N 2.057 122.071 119.950 0.107 0.000 2.134 174 F HA -0.052 4.477 4.527 0.002 0.000 0.299 174 F C 2.162 178.100 175.800 0.230 0.000 1.097 174 F CA 1.715 59.835 58.000 0.200 0.000 1.264 174 F CB -0.945 38.231 39.000 0.294 0.000 1.001 174 F HN 0.126 nan 8.300 nan 0.000 0.479 175 G N -0.243 108.640 108.800 0.137 0.000 2.418 175 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 175 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 175 G C 1.816 176.595 174.900 -0.201 0.000 1.158 175 G CA 0.845 45.927 45.100 -0.030 0.000 0.771 175 G HN 0.642 nan 8.290 nan 0.000 0.545 176 A N 0.853 123.583 122.820 -0.151 0.000 1.898 176 A HA 0.029 4.350 4.320 0.002 0.000 0.216 176 A C 2.307 179.895 177.584 0.007 0.000 1.181 176 A CA 1.900 53.860 52.037 -0.127 0.000 0.620 176 A CB -0.325 18.629 19.000 -0.077 0.000 0.819 176 A HN 0.375 nan 8.150 nan 0.000 0.442 177 K N -0.684 119.751 120.400 0.060 0.000 2.097 177 K HA -0.131 4.190 4.320 0.002 0.000 0.206 177 K C 2.265 178.921 176.600 0.093 0.000 1.049 177 K CA 1.316 57.740 56.287 0.228 0.000 0.933 177 K CB -0.124 32.550 32.500 0.290 0.000 0.717 177 K HN 0.378 nan 8.250 nan 0.000 0.442 178 Q N 0.211 119.894 119.800 -0.195 0.000 2.119 178 Q HA -0.058 4.283 4.340 0.002 0.000 0.201 178 Q C 2.217 178.074 176.000 -0.238 0.000 0.972 178 Q CA 1.449 57.043 55.803 -0.349 0.000 0.847 178 Q CB -0.286 28.159 28.738 -0.488 0.000 0.903 178 Q HN 0.322 nan 8.270 nan 0.000 0.433 179 A N 0.350 123.035 122.820 -0.225 0.000 1.883 179 A HA -0.194 4.127 4.320 0.002 0.000 0.217 179 A C 1.837 179.445 177.584 0.039 0.000 1.186 179 A CA 1.487 53.341 52.037 -0.305 0.000 0.624 179 A CB -1.007 17.488 19.000 -0.842 0.000 0.822 179 A HN 0.534 nan 8.150 nan 0.000 0.444 180 W N 0.947 122.263 121.300 0.027 0.000 2.355 180 W HA -0.134 4.527 4.660 0.002 0.000 0.309 180 W C 2.364 178.837 176.519 -0.076 0.000 1.206 180 W CA 1.555 58.942 57.345 0.070 0.000 1.284 180 W CB -0.733 28.754 29.460 0.045 0.000 1.145 180 W HN 0.379 nan 8.180 nan 0.000 0.502 181 R N 0.363 120.765 120.500 -0.162 0.000 2.117 181 R HA -0.209 4.132 4.340 0.002 0.000 0.243 181 R C 1.660 177.785 176.300 -0.292 0.000 1.143 181 R CA 1.973 57.757 56.100 -0.526 0.000 0.968 181 R CB -0.615 29.056 30.300 -1.049 0.000 0.863 181 R HN 0.115 nan 8.270 nan 0.000 0.444 182 N N 0.436 119.022 118.700 -0.190 0.000 2.463 182 N HA -0.002 4.739 4.740 0.002 0.000 0.181 182 N C -0.170 175.291 175.510 -0.081 0.000 1.078 182 N CA 0.754 53.722 53.050 -0.136 0.000 0.902 182 N CB 0.132 38.542 38.487 -0.128 0.000 0.970 182 N HN 0.193 nan 8.380 nan 0.000 0.451 183 A N 2.344 125.164 122.820 -0.001 0.000 2.507 183 A HA 0.150 4.471 4.320 0.002 0.000 0.281 183 A C -1.173 176.385 177.584 -0.044 0.000 1.154 183 A CA -0.830 51.209 52.037 0.003 0.000 0.828 183 A CB 0.143 19.191 19.000 0.080 0.000 1.069 183 A HN 0.045 nan 8.150 nan 0.000 0.522 184 P HA -0.146 nan 4.420 nan 0.000 0.216 184 P C 1.091 178.330 177.300 -0.101 0.000 1.150 184 P CA 1.229 64.261 63.100 -0.114 0.000 0.837 184 P CB 0.131 31.731 31.700 -0.167 0.000 0.786 185 R N -2.056 118.344 120.500 -0.167 0.000 2.320 185 R HA 0.141 4.482 4.340 0.002 0.000 0.211 185 R C 0.170 176.459 176.300 -0.019 0.000 0.931 185 R CA -0.140 55.874 56.100 -0.144 0.000 1.071 185 R CB -0.517 29.480 30.300 -0.505 0.000 1.025 185 R HN 0.190 nan 8.270 nan 0.000 0.495 186 C N 0.309 119.582 119.300 -0.045 0.000 2.255 186 C HA 0.234 4.695 4.460 0.002 0.000 0.326 186 C C 1.848 176.754 174.990 -0.140 0.000 1.258 186 C CA -0.730 58.278 59.018 -0.018 0.000 1.676 186 C CB 0.664 28.458 27.740 0.090 0.000 2.314 186 C HN 0.290 nan 8.230 nan 0.000 0.509 187 V N 5.837 125.629 119.914 -0.203 0.000 3.306 187 V HA 0.199 4.320 4.120 0.002 0.000 0.264 187 V C 1.737 177.780 176.094 -0.085 0.000 1.149 187 V CA 2.197 64.258 62.300 -0.399 0.000 1.143 187 V CB -0.097 31.552 31.823 -0.291 0.000 0.767 187 V HN 1.067 nan 8.190 nan 0.000 0.476 188 G N -0.701 108.109 108.800 0.016 0.000 3.523 188 G HA2 0.080 4.041 3.960 0.002 0.000 0.270 188 G HA3 0.080 4.041 3.960 0.002 0.000 0.270 188 G C 1.135 176.060 174.900 0.042 0.000 1.134 188 G CA -0.387 44.752 45.100 0.065 0.000 0.825 188 G HN 0.423 nan 8.290 nan 0.000 0.534 189 R N -0.127 120.329 120.500 -0.074 0.000 2.377 189 R HA 0.121 4.462 4.340 0.002 0.000 0.207 189 R C 1.877 177.765 176.300 -0.686 0.000 1.075 189 R CA 0.119 55.912 56.100 -0.512 0.000 1.035 189 R CB -0.132 29.856 30.300 -0.519 0.000 0.857 189 R HN 0.447 nan 8.270 nan 0.000 0.475 190 I N 0.717 121.061 120.570 -0.376 0.000 2.756 190 I HA -0.212 3.959 4.170 0.002 0.000 0.262 190 I C 1.258 177.279 176.117 -0.160 0.000 1.225 190 I CA 1.128 62.341 61.300 -0.145 0.000 1.472 190 I CB 0.189 38.217 38.000 0.048 0.000 1.094 190 I HN 0.200 nan 8.210 nan 0.000 0.454 191 Q N 0.516 120.162 119.800 -0.256 0.000 2.360 191 Q HA -0.091 4.251 4.340 0.002 0.000 0.202 191 Q C 1.609 177.205 176.000 -0.672 0.000 0.915 191 Q CA 0.271 55.920 55.803 -0.257 0.000 0.943 191 Q CB -0.158 28.590 28.738 0.016 0.000 1.064 191 Q HN 0.773 nan 8.270 nan 0.000 0.511 192 W N 0.153 120.739 121.300 -1.189 0.000 2.313 192 W HA -0.162 4.499 4.660 0.002 0.000 0.293 192 W C 1.114 177.333 176.519 -0.500 0.000 1.216 192 W CA 1.245 57.749 57.345 -1.402 0.000 1.223 192 W CB -1.199 27.648 29.460 -1.021 0.000 1.138 192 W HN 0.079 nan 8.180 nan 0.000 0.535 193 G N 1.075 109.255 108.800 -1.034 0.000 2.650 193 G HA2 -0.156 3.805 3.960 0.002 0.000 0.214 193 G HA3 -0.156 3.805 3.960 0.002 0.000 0.214 193 G C 0.798 175.517 174.900 -0.301 0.000 1.136 193 G CA -0.046 44.545 45.100 -0.849 0.000 0.789 193 G HN 0.246 nan 8.290 nan 0.000 0.536 194 K N 0.308 120.621 120.400 -0.145 0.000 2.356 194 K HA 0.512 4.833 4.320 0.002 0.000 0.243 194 K C -1.595 175.133 176.600 0.214 0.000 1.072 194 K CA -0.642 55.667 56.287 0.038 0.000 1.014 194 K CB 0.264 32.809 32.500 0.074 0.000 1.523 194 K HN 0.067 nan 8.250 nan 0.000 0.455 195 L N 3.184 124.507 121.223 0.167 0.000 2.439 195 L HA 0.314 4.655 4.340 0.002 0.000 0.270 195 L C -1.316 175.552 176.870 -0.003 0.000 0.972 195 L CA -0.416 54.528 54.840 0.173 0.000 0.836 195 L CB 1.908 44.146 42.059 0.298 0.000 1.255 195 L HN 0.445 nan 8.230 nan 0.000 0.404 196 Q N 3.495 123.238 119.800 -0.094 0.000 2.307 196 Q HA 0.494 4.835 4.340 0.002 0.000 0.259 196 Q C -1.548 174.108 176.000 -0.573 0.000 0.998 196 Q CA -0.094 55.476 55.803 -0.387 0.000 0.923 196 Q CB 1.140 29.546 28.738 -0.552 0.000 1.196 196 Q HN 0.513 nan 8.270 nan 0.000 0.416 197 V N 6.426 126.022 119.914 -0.529 0.000 2.333 197 V HA 0.364 4.485 4.120 0.002 0.000 0.274 197 V C -0.654 175.116 176.094 -0.540 0.000 1.028 197 V CA -0.527 61.516 62.300 -0.428 0.000 0.851 197 V CB 0.039 31.727 31.823 -0.225 0.000 1.000 197 V HN 0.633 nan 8.190 nan 0.000 0.456 198 F N 2.714 122.523 119.950 -0.234 0.000 2.391 198 F HA 0.346 4.874 4.527 0.002 0.000 0.359 198 F C 0.620 176.260 175.800 -0.268 0.000 1.122 198 F CA -0.918 56.947 58.000 -0.224 0.000 1.120 198 F CB 0.846 39.720 39.000 -0.210 0.000 1.142 198 F HN 0.423 nan 8.300 nan 0.000 0.483 199 D N 3.339 123.704 120.400 -0.058 0.000 2.352 199 D HA 0.321 4.962 4.640 0.002 0.000 0.245 199 D C 0.209 176.366 176.300 -0.240 0.000 1.224 199 D CA 0.117 54.023 54.000 -0.157 0.000 0.879 199 D CB 1.019 41.763 40.800 -0.093 0.000 1.057 199 D HN 0.608 nan 8.370 nan 0.000 0.491 200 A N 4.574 127.086 122.820 -0.513 0.000 2.630 200 A HA 0.167 4.488 4.320 0.002 0.000 0.290 200 A C 1.611 178.908 177.584 -0.478 0.000 1.267 200 A CA -0.392 51.093 52.037 -0.919 0.000 0.950 200 A CB 0.022 17.996 19.000 -1.710 0.000 1.144 200 A HN 0.546 nan 8.150 nan 0.000 0.527 201 R N -0.028 120.327 120.500 -0.242 0.000 2.280 201 R HA -0.058 4.283 4.340 0.002 0.000 0.207 201 R C 0.125 176.392 176.300 -0.054 0.000 1.043 201 R CA 0.939 56.968 56.100 -0.118 0.000 1.006 201 R CB 0.003 30.285 30.300 -0.030 0.000 0.885 201 R HN 0.480 nan 8.270 nan 0.000 0.467 202 D N 0.342 120.737 120.400 -0.009 0.000 3.057 202 D HA 0.029 4.670 4.640 0.002 0.000 0.246 202 D C -1.359 175.043 176.300 0.170 0.000 1.238 202 D CA -0.204 53.847 54.000 0.085 0.000 0.949 202 D CB -0.027 40.844 40.800 0.119 0.000 1.086 202 D HN 0.038 nan 8.370 nan 0.000 0.487 203 C N 1.472 120.840 119.300 0.114 0.000 2.431 203 C HA 0.635 5.096 4.460 0.002 0.000 0.321 203 C C 0.948 176.075 174.990 0.229 0.000 1.202 203 C CA -0.204 58.943 59.018 0.214 0.000 1.398 203 C CB 0.654 28.515 27.740 0.202 0.000 2.047 203 C HN 0.488 nan 8.230 nan 0.000 0.465 204 S N 2.558 118.431 115.700 0.289 0.000 2.666 204 S HA 0.343 4.814 4.470 0.002 0.000 0.239 204 S C 0.132 174.896 174.600 0.274 0.000 1.031 204 S CA 0.324 58.718 58.200 0.324 0.000 1.015 204 S CB -0.161 63.161 63.200 0.203 0.000 0.981 204 S HN 1.357 nan 8.310 nan 0.000 0.547 205 S N -0.312 115.546 115.700 0.262 0.000 2.651 205 S HA 0.844 5.315 4.470 0.002 0.000 0.279 205 S C 0.812 175.502 174.600 0.149 0.000 1.148 205 S CA -0.312 57.986 58.200 0.165 0.000 0.837 205 S CB 1.104 64.381 63.200 0.130 0.000 1.138 205 S HN 0.432 nan 8.310 nan 0.000 0.478 206 A N 0.414 123.296 122.820 0.103 0.000 1.968 206 A HA -0.000 4.321 4.320 0.002 0.000 0.217 206 A C 2.067 179.647 177.584 -0.006 0.000 1.169 206 A CA 1.814 53.900 52.037 0.082 0.000 0.638 206 A CB -1.037 18.071 19.000 0.179 0.000 0.812 206 A HN 0.849 nan 8.150 nan 0.000 0.446 207 Q N 0.454 120.332 119.800 0.129 0.000 2.167 207 Q HA -0.118 4.223 4.340 0.002 0.000 0.202 207 Q C 1.628 177.636 176.000 0.014 0.000 0.970 207 Q CA 2.117 57.964 55.803 0.073 0.000 0.855 207 Q CB -0.370 28.497 28.738 0.215 0.000 0.911 207 Q HN 0.732 nan 8.270 nan 0.000 0.438 208 E N -0.741 119.505 120.200 0.077 0.000 2.152 208 E HA -0.085 4.266 4.350 0.002 0.000 0.192 208 E C 1.907 178.639 176.600 0.220 0.000 0.983 208 E CA 1.041 57.516 56.400 0.125 0.000 0.818 208 E CB -0.047 29.778 29.700 0.209 0.000 0.758 208 E HN 0.454 nan 8.360 nan 0.000 0.467 209 M N -0.192 119.477 119.600 0.116 0.000 2.117 209 M HA -0.128 4.353 4.480 0.002 0.000 0.262 209 M C 2.095 178.428 176.300 0.055 0.000 1.065 209 M CA 1.300 56.615 55.300 0.026 0.000 1.114 209 M CB -0.255 32.119 32.600 -0.377 0.000 1.361 209 M HN 0.132 nan 8.290 nan 0.000 0.408 210 F N 1.058 120.806 119.950 -0.336 0.000 2.171 210 F HA -0.218 4.310 4.527 0.002 0.000 0.300 210 F C 2.179 177.869 175.800 -0.184 0.000 1.090 210 F CA 1.657 59.403 58.000 -0.424 0.000 1.293 210 F CB -0.107 38.301 39.000 -0.987 0.000 1.013 210 F HN 0.046 nan 8.300 nan 0.000 0.486 211 T N -0.699 113.716 114.554 -0.232 0.000 2.812 211 T HA -0.189 4.162 4.350 0.002 0.000 0.264 211 T C 1.564 176.101 174.700 -0.271 0.000 1.042 211 T CA 1.611 63.528 62.100 -0.304 0.000 1.140 211 T CB -0.711 68.017 68.868 -0.232 0.000 0.870 211 T HN 0.347 nan 8.240 nan 0.000 0.445 212 Y N 1.058 121.303 120.300 -0.091 0.000 2.145 212 Y HA -0.055 4.496 4.550 0.002 0.000 0.286 212 Y C 2.333 178.170 175.900 -0.105 0.000 1.145 212 Y CA 0.883 58.946 58.100 -0.061 0.000 1.148 212 Y CB -0.352 38.200 38.460 0.153 0.000 0.981 212 Y HN 0.131 nan 8.280 nan 0.000 0.507 213 I N -1.375 119.259 120.570 0.107 0.000 2.226 213 I HA -0.366 3.805 4.170 0.002 0.000 0.245 213 I C 2.234 178.250 176.117 -0.169 0.000 1.100 213 I CA 0.965 62.250 61.300 -0.025 0.000 1.374 213 I CB -0.472 37.500 38.000 -0.046 0.000 1.057 213 I HN 0.349 nan 8.210 nan 0.000 0.413 214 C N 0.693 119.784 119.300 -0.348 0.000 2.435 214 C HA -0.102 4.359 4.460 0.002 0.000 0.279 214 C C 2.575 177.445 174.990 -0.199 0.000 1.321 214 C CA 0.705 59.514 59.018 -0.349 0.000 1.752 214 C CB -1.371 26.043 27.740 -0.542 0.000 1.959 214 C HN 0.551 nan 8.230 nan 0.000 0.500 215 N N -0.044 118.530 118.700 -0.209 0.000 2.216 215 N HA -0.112 4.629 4.740 0.002 0.000 0.183 215 N C 1.457 176.840 175.510 -0.212 0.000 1.017 215 N CA 1.265 54.184 53.050 -0.219 0.000 0.861 215 N CB -0.785 37.514 38.487 -0.312 0.000 0.986 215 N HN 0.752 nan 8.380 nan 0.000 0.428 216 H N 0.728 119.597 119.070 -0.336 0.000 2.321 216 H HA 0.056 4.613 4.556 0.002 0.000 0.300 216 H C 2.117 177.443 175.328 -0.004 0.000 1.087 216 H CA 1.440 57.350 56.048 -0.231 0.000 1.319 216 H CB -0.033 29.657 29.762 -0.121 0.000 1.379 216 H HN 0.057 nan 8.280 nan 0.000 0.501 217 I N 0.857 121.547 120.570 0.200 0.000 2.163 217 I HA -0.303 3.868 4.170 0.002 0.000 0.243 217 I C 2.503 178.698 176.117 0.129 0.000 1.085 217 I CA 1.512 62.899 61.300 0.146 0.000 1.347 217 I CB -0.327 37.675 38.000 0.003 0.000 1.044 217 I HN 0.343 nan 8.210 nan 0.000 0.408 218 K N -0.062 120.377 120.400 0.065 0.000 2.032 218 K HA -0.262 4.059 4.320 0.002 0.000 0.209 218 K C 2.248 178.906 176.600 0.097 0.000 1.048 218 K CA 2.017 58.336 56.287 0.054 0.000 0.927 218 K CB -0.451 32.058 32.500 0.015 0.000 0.712 218 K HN 0.292 nan 8.250 nan 0.000 0.441 219 Y N 1.225 121.542 120.300 0.029 0.000 2.163 219 Y HA -0.202 4.349 4.550 0.002 0.000 0.288 219 Y C 2.207 178.175 175.900 0.114 0.000 1.136 219 Y CA 1.394 59.547 58.100 0.087 0.000 1.147 219 Y CB -0.437 38.126 38.460 0.172 0.000 0.987 219 Y HN 0.051 nan 8.280 nan 0.000 0.509 220 A N -0.423 122.606 122.820 0.348 0.000 1.883 220 A HA -0.209 4.112 4.320 0.002 0.000 0.217 220 A C 2.232 179.895 177.584 0.132 0.000 1.186 220 A CA 2.511 54.710 52.037 0.271 0.000 0.624 220 A CB -1.432 17.789 19.000 0.369 0.000 0.822 220 A HN 0.524 nan 8.150 nan 0.000 0.444 221 T N -0.407 114.221 114.554 0.123 0.000 2.708 221 T HA -0.146 4.205 4.350 0.002 0.000 0.266 221 T C 1.025 175.738 174.700 0.021 0.000 1.037 221 T CA 1.084 63.236 62.100 0.087 0.000 1.146 221 T CB -0.611 68.305 68.868 0.080 0.000 0.865 221 T HN 0.744 nan 8.240 nan 0.000 0.435 222 N N 0.972 119.653 118.700 -0.031 0.000 2.699 222 N HA -0.277 4.464 4.740 0.002 0.000 0.256 222 N C -0.727 174.757 175.510 -0.043 0.000 0.993 222 N CA 0.027 53.031 53.050 -0.077 0.000 0.759 222 N CB -0.550 37.844 38.487 -0.155 0.000 0.906 222 N HN 0.401 nan 8.380 nan 0.000 0.541 223 R N -1.659 118.829 120.500 -0.020 0.000 3.416 223 R HA -0.249 4.092 4.340 0.002 0.000 0.263 223 R C 1.279 177.567 176.300 -0.020 0.000 1.053 223 R CA 0.985 57.074 56.100 -0.018 0.000 0.705 223 R CB -2.058 28.226 30.300 -0.025 0.000 1.124 223 R HN 0.830 nan 8.270 nan 0.000 0.444 224 G N -0.383 108.415 108.800 -0.004 0.000 2.234 224 G HA2 -0.382 3.579 3.960 0.002 0.000 0.235 224 G HA3 -0.382 3.579 3.960 0.002 0.000 0.235 224 G C 0.022 174.915 174.900 -0.011 0.000 0.997 224 G CA 0.198 45.296 45.100 -0.003 0.000 0.623 224 G HN 0.543 nan 8.290 nan 0.000 0.514 225 N N 0.991 119.671 118.700 -0.034 0.000 3.083 225 N HA 0.475 5.216 4.740 0.002 0.000 0.260 225 N C 0.267 175.749 175.510 -0.048 0.000 1.163 225 N CA -0.795 52.215 53.050 -0.066 0.000 1.060 225 N CB -0.083 38.359 38.487 -0.076 0.000 1.345 225 N HN 0.150 nan 8.380 nan 0.000 0.515 226 L N 2.266 123.489 121.223 0.001 0.000 2.559 226 L HA 0.008 4.349 4.340 0.002 0.000 0.282 226 L C 0.588 177.563 176.870 0.175 0.000 1.232 226 L CA 1.121 56.032 54.840 0.118 0.000 0.885 226 L CB 0.145 42.362 42.059 0.264 0.000 1.131 226 L HN 0.388 nan 8.230 nan 0.000 0.498 227 R N 1.643 122.265 120.500 0.203 0.000 2.532 227 R HA 0.430 4.771 4.340 0.002 0.000 0.297 227 R C -0.602 175.886 176.300 0.313 0.000 0.984 227 R CA -0.666 55.583 56.100 0.249 0.000 0.884 227 R CB 1.586 31.900 30.300 0.024 0.000 1.182 227 R HN 0.576 nan 8.270 nan 0.000 0.442 228 S N 1.567 117.456 115.700 0.315 0.000 2.549 228 S HA 0.388 4.859 4.470 0.002 0.000 0.286 228 S C -0.085 174.580 174.600 0.108 0.000 1.314 228 S CA -0.149 58.126 58.200 0.125 0.000 1.062 228 S CB 1.062 64.265 63.200 0.005 0.000 0.865 228 S HN 0.717 nan 8.310 nan 0.000 0.498 229 A N 2.539 125.376 122.820 0.028 0.000 2.612 229 A HA 0.831 5.152 4.320 0.002 0.000 0.293 229 A C -1.231 176.356 177.584 0.006 0.000 1.075 229 A CA -0.677 51.309 52.037 -0.085 0.000 0.680 229 A CB 1.214 20.086 19.000 -0.213 0.000 1.279 229 A HN 0.793 nan 8.150 nan 0.000 0.411 230 I N 0.260 120.824 120.570 -0.010 0.000 2.722 230 I HA 0.667 4.838 4.170 0.002 0.000 0.295 230 I C -1.165 175.033 176.117 0.134 0.000 1.161 230 I CA -0.166 61.240 61.300 0.177 0.000 1.032 230 I CB 2.475 40.554 38.000 0.132 0.000 1.244 230 I HN 0.626 nan 8.210 nan 0.000 0.421 231 T N 5.946 120.601 114.554 0.168 0.000 2.812 231 T HA 0.485 4.836 4.350 0.002 0.000 0.282 231 T C -0.926 173.577 174.700 -0.329 0.000 0.990 231 T CA -0.384 61.673 62.100 -0.073 0.000 0.960 231 T CB 1.721 70.534 68.868 -0.092 0.000 0.948 231 T HN 0.254 nan 8.240 nan 0.000 0.438 232 V N 4.816 124.456 119.914 -0.457 0.000 2.334 232 V HA 0.491 4.612 4.120 0.002 0.000 0.281 232 V C -0.539 175.245 176.094 -0.517 0.000 1.016 232 V CA -0.824 61.214 62.300 -0.437 0.000 0.832 232 V CB 0.112 31.636 31.823 -0.499 0.000 0.999 232 V HN 0.722 nan 8.190 nan 0.000 0.439 233 F N 4.896 124.764 119.950 -0.137 0.000 2.362 233 F HA 0.509 5.037 4.527 0.002 0.000 0.311 233 F C -1.780 173.923 175.800 -0.163 0.000 1.161 233 F CA -2.488 55.364 58.000 -0.248 0.000 1.085 233 F CB 0.134 38.998 39.000 -0.228 0.000 1.311 233 F HN 0.289 nan 8.300 nan 0.000 0.524 234 P HA -0.062 nan 4.420 nan 0.000 0.263 234 P C -0.869 176.434 177.300 0.005 0.000 1.168 234 P CA 0.114 63.107 63.100 -0.178 0.000 0.759 234 P CB 0.150 31.504 31.700 -0.577 0.000 0.782 235 Q N 3.720 123.485 119.800 -0.058 0.000 2.584 235 Q HA 0.135 4.476 4.340 0.002 0.000 0.235 235 Q C -0.209 175.676 176.000 -0.192 0.000 1.079 235 Q CA -0.286 55.256 55.803 -0.435 0.000 0.977 235 Q CB 0.525 28.770 28.738 -0.823 0.000 1.293 235 Q HN 0.348 nan 8.270 nan 0.000 0.553 236 R N -0.138 120.219 120.500 -0.239 0.000 2.594 236 R HA 0.422 4.763 4.340 0.002 0.000 0.272 236 R C -0.731 175.510 176.300 -0.099 0.000 1.074 236 R CA 0.226 56.266 56.100 -0.099 0.000 1.105 236 R CB 0.698 30.932 30.300 -0.110 0.000 1.008 236 R HN 0.698 nan 8.270 nan 0.000 0.472 237 A N 4.540 127.345 122.820 -0.025 0.000 2.343 237 A HA 0.472 4.793 4.320 0.002 0.000 0.308 237 A C -2.438 175.140 177.584 -0.011 0.000 1.092 237 A CA -2.051 49.976 52.037 -0.017 0.000 0.751 237 A CB 1.289 20.309 19.000 0.033 0.000 1.203 237 A HN 0.402 nan 8.150 nan 0.000 0.452 238 P HA 0.201 nan 4.420 nan 0.000 0.264 238 P C 1.235 178.536 177.300 0.002 0.000 1.183 238 P CA 2.212 65.305 63.100 -0.011 0.000 0.763 238 P CB 0.665 32.358 31.700 -0.011 0.000 0.807 239 G N 1.719 110.520 108.800 0.001 0.000 2.220 239 G HA2 -0.306 3.655 3.960 0.002 0.000 0.269 239 G HA3 -0.306 3.655 3.960 0.002 0.000 0.269 239 G C 0.434 175.339 174.900 0.008 0.000 0.977 239 G CA 0.143 45.246 45.100 0.006 0.000 0.634 239 G HN 0.713 nan 8.290 nan 0.000 0.539 240 R N 0.616 121.122 120.500 0.010 0.000 2.787 240 R HA 0.591 4.932 4.340 0.002 0.000 0.271 240 R C 0.816 177.121 176.300 0.008 0.000 0.993 240 R CA 0.047 56.155 56.100 0.012 0.000 0.993 240 R CB 0.896 31.212 30.300 0.027 0.000 1.155 240 R HN 0.281 nan 8.270 nan 0.000 0.486 241 G N 0.994 109.791 108.800 -0.005 0.000 2.507 241 G HA2 0.129 4.090 3.960 0.002 0.000 0.271 241 G HA3 0.129 4.090 3.960 0.002 0.000 0.271 241 G C -0.775 174.121 174.900 -0.006 0.000 1.189 241 G CA -0.445 44.649 45.100 -0.010 0.000 0.859 241 G HN 0.565 nan 8.290 nan 0.000 0.542 242 D N -0.371 120.041 120.400 0.020 0.000 2.304 242 D HA 0.310 4.951 4.640 0.002 0.000 0.247 242 D C -0.226 176.115 176.300 0.069 0.000 1.089 242 D CA 0.088 54.136 54.000 0.080 0.000 0.910 242 D CB 1.036 41.885 40.800 0.080 0.000 1.199 242 D HN 0.075 nan 8.370 nan 0.000 0.426 243 F N 1.708 121.685 119.950 0.046 0.000 2.427 243 F HA 0.315 4.843 4.527 0.002 0.000 0.352 243 F C 1.063 176.893 175.800 0.051 0.000 1.100 243 F CA 0.116 58.132 58.000 0.026 0.000 1.191 243 F CB 0.613 39.618 39.000 0.008 0.000 1.128 243 F HN -0.162 nan 8.300 nan 0.000 0.533 244 R N 3.512 124.134 120.500 0.202 0.000 2.668 244 R HA 0.513 4.854 4.340 0.002 0.000 0.272 244 R C -1.355 175.090 176.300 0.243 0.000 1.019 244 R CA -0.871 55.364 56.100 0.224 0.000 0.894 244 R CB 2.210 32.664 30.300 0.257 0.000 1.228 244 R HN 0.611 nan 8.270 nan 0.000 0.460 245 I N 1.854 122.562 120.570 0.230 0.000 2.328 245 I HA 0.169 4.340 4.170 0.002 0.000 0.287 245 I C 0.473 176.801 176.117 0.351 0.000 1.012 245 I CA -0.422 61.011 61.300 0.221 0.000 1.195 245 I CB 1.196 39.273 38.000 0.129 0.000 1.350 245 I HN 0.528 nan 8.210 nan 0.000 0.464 246 W N 3.584 124.944 121.300 0.099 0.000 2.388 246 W HA -0.091 4.570 4.660 0.002 0.000 0.294 246 W C 0.989 177.637 176.519 0.216 0.000 1.212 246 W CA 0.200 57.678 57.345 0.223 0.000 1.271 246 W CB -0.783 28.794 29.460 0.196 0.000 1.126 246 W HN 0.406 nan 8.180 nan 0.000 0.535 247 N N 0.056 118.938 118.700 0.303 0.000 2.441 247 N HA 0.004 4.745 4.740 0.002 0.000 0.251 247 N C 1.282 176.866 175.510 0.124 0.000 1.242 247 N CA 0.893 54.038 53.050 0.158 0.000 0.898 247 N CB 0.667 39.182 38.487 0.048 0.000 1.100 247 N HN -0.079 nan 8.380 nan 0.000 0.443 248 S N 0.579 116.341 115.700 0.102 0.000 2.461 248 S HA -0.006 4.465 4.470 0.002 0.000 0.228 248 S C 0.333 174.936 174.600 0.006 0.000 1.005 248 S CA 0.560 58.805 58.200 0.076 0.000 0.942 248 S CB 0.098 63.362 63.200 0.107 0.000 0.776 248 S HN 0.652 nan 8.310 nan 0.000 0.514 249 Q N -0.774 119.011 119.800 -0.025 0.000 2.416 249 Q HA 0.488 4.829 4.340 0.002 0.000 0.281 249 Q C 0.075 175.994 176.000 -0.135 0.000 1.067 249 Q CA -0.552 55.195 55.803 -0.093 0.000 0.809 249 Q CB 1.947 30.656 28.738 -0.048 0.000 1.418 249 Q HN 0.130 nan 8.270 nan 0.000 0.411 250 L N 0.106 121.224 121.223 -0.176 0.000 2.141 250 L HA 0.019 4.360 4.340 0.002 0.000 0.209 250 L C 0.366 177.092 176.870 -0.241 0.000 1.094 250 L CA 0.844 55.578 54.840 -0.177 0.000 0.763 250 L CB 0.118 42.059 42.059 -0.197 0.000 0.908 250 L HN 0.237 nan 8.230 nan 0.000 0.437 251 V N 0.939 120.625 119.914 -0.380 0.000 2.443 251 V HA 0.505 4.626 4.120 0.002 0.000 0.293 251 V C -0.415 175.106 176.094 -0.953 0.000 1.021 251 V CA -0.702 61.197 62.300 -0.668 0.000 0.848 251 V CB 1.667 32.985 31.823 -0.843 0.000 0.998 251 V HN 0.150 nan 8.190 nan 0.000 0.424 252 R N 2.766 122.848 120.500 -0.697 0.000 2.707 252 R HA 0.503 4.844 4.340 0.002 0.000 0.272 252 R C -1.766 174.305 176.300 -0.383 0.000 1.011 252 R CA -0.822 54.972 56.100 -0.509 0.000 0.893 252 R CB 2.092 32.281 30.300 -0.185 0.000 1.233 252 R HN 0.544 nan 8.270 nan 0.000 0.464 253 Y N 0.430 120.683 120.300 -0.077 0.000 2.308 253 Y HA 0.447 4.998 4.550 0.002 0.000 0.329 253 Y C 1.056 176.901 175.900 -0.091 0.000 1.111 253 Y CA -0.664 57.412 58.100 -0.040 0.000 1.179 253 Y CB 1.013 39.512 38.460 0.065 0.000 1.201 253 Y HN 0.696 nan 8.280 nan 0.000 0.483 254 A N 1.988 124.814 122.820 0.011 0.000 2.507 254 A HA 0.472 4.794 4.320 0.002 0.000 0.235 254 A C 0.728 178.059 177.584 -0.421 0.000 1.070 254 A CA 0.359 52.253 52.037 -0.239 0.000 0.768 254 A CB -0.270 18.537 19.000 -0.322 0.000 1.011 254 A HN 0.968 nan 8.150 nan 0.000 0.502 255 G N 0.690 109.254 108.800 -0.393 0.000 2.744 255 G HA2 0.534 4.495 3.960 0.002 0.000 0.309 255 G HA3 0.534 4.495 3.960 0.002 0.000 0.309 255 G C -0.894 173.861 174.900 -0.242 0.000 1.328 255 G CA -0.289 44.628 45.100 -0.305 0.000 1.034 255 G HN 0.577 nan 8.290 nan 0.000 0.518 256 Y N 2.389 122.703 120.300 0.023 0.000 2.367 256 Y HA 0.374 4.925 4.550 0.002 0.000 0.342 256 Y C 1.157 177.056 175.900 -0.002 0.000 0.979 256 Y CA -1.103 57.009 58.100 0.021 0.000 1.161 256 Y CB 1.229 39.699 38.460 0.017 0.000 1.155 256 Y HN 0.175 nan 8.280 nan 0.000 0.503 257 R N 3.701 124.289 120.500 0.146 0.000 2.347 257 R HA 0.156 4.497 4.340 0.002 0.000 0.304 257 R C -0.174 176.166 176.300 0.067 0.000 1.072 257 R CA -0.240 55.906 56.100 0.077 0.000 0.980 257 R CB 0.767 31.101 30.300 0.056 0.000 0.986 257 R HN 0.700 nan 8.270 nan 0.000 0.448 258 Q N 1.611 121.438 119.800 0.045 0.000 2.823 258 Q HA 0.090 4.431 4.340 0.002 0.000 0.230 258 Q C 1.262 177.271 176.000 0.014 0.000 1.026 258 Q CA -0.633 55.186 55.803 0.027 0.000 0.940 258 Q CB 0.119 28.872 28.738 0.024 0.000 1.382 258 Q HN 0.562 nan 8.270 nan 0.000 0.502 259 Q N 1.239 121.043 119.800 0.006 0.000 1.807 259 Q HA -0.262 4.079 4.340 0.002 0.000 0.426 259 Q C 0.205 176.208 176.000 0.005 0.000 1.040 259 Q CA 2.178 57.983 55.803 0.002 0.000 0.868 259 Q CB -1.041 27.697 28.738 -0.000 0.000 0.956 259 Q HN 0.733 nan 8.270 nan 0.000 0.419 260 D N 0.736 121.139 120.400 0.005 0.000 2.982 260 D HA 0.156 4.797 4.640 0.002 0.000 0.238 260 D C 0.934 177.240 176.300 0.009 0.000 1.168 260 D CA 0.546 54.549 54.000 0.006 0.000 0.947 260 D CB -0.352 40.451 40.800 0.005 0.000 1.147 260 D HN 0.810 nan 8.370 nan 0.000 0.450 261 G N 0.932 109.739 108.800 0.011 0.000 2.216 261 G HA2 -0.385 3.576 3.960 0.002 0.000 0.269 261 G HA3 -0.385 3.576 3.960 0.002 0.000 0.269 261 G C 0.608 175.516 174.900 0.014 0.000 0.981 261 G CA 0.950 46.059 45.100 0.014 0.000 0.658 261 G HN 0.825 nan 8.290 nan 0.000 0.539 262 S N -1.346 114.361 115.700 0.012 0.000 2.617 262 S HA 0.665 5.136 4.470 0.002 0.000 0.259 262 S C 0.046 174.651 174.600 0.008 0.000 1.301 262 S CA 0.027 58.232 58.200 0.008 0.000 0.984 262 S CB 2.297 65.501 63.200 0.006 0.000 0.954 262 S HN 1.058 nan 8.310 nan 0.000 0.572 263 V N 0.972 120.882 119.914 -0.008 0.000 2.709 263 V HA 0.541 4.662 4.120 0.002 0.000 0.308 263 V C -0.084 175.984 176.094 -0.044 0.000 1.062 263 V CA -0.851 61.438 62.300 -0.018 0.000 0.901 263 V CB 1.773 33.570 31.823 -0.044 0.000 1.003 263 V HN 0.961 nan 8.190 nan 0.000 0.425 264 R N 2.447 122.945 120.500 -0.004 0.000 2.346 264 R HA 0.687 5.028 4.340 0.002 0.000 0.311 264 R C 0.584 176.817 176.300 -0.112 0.000 0.983 264 R CA 0.919 57.014 56.100 -0.008 0.000 0.880 264 R CB 1.173 31.547 30.300 0.123 0.000 1.100 264 R HN 1.237 nan 8.270 nan 0.000 0.453 265 G N 2.937 111.590 108.800 -0.245 0.000 2.475 265 G HA2 -0.251 3.710 3.960 0.002 0.000 0.223 265 G HA3 -0.251 3.710 3.960 0.002 0.000 0.223 265 G C -1.219 173.281 174.900 -0.666 0.000 1.201 265 G CA -0.066 44.810 45.100 -0.373 0.000 0.962 265 G HN 0.631 nan 8.290 nan 0.000 0.586 266 D N 1.835 122.001 120.400 -0.389 0.000 2.428 266 D HA 0.552 5.193 4.640 0.002 0.000 0.221 266 D C -1.089 175.108 176.300 -0.170 0.000 1.123 266 D CA -1.936 51.881 54.000 -0.305 0.000 0.869 266 D CB 1.307 42.214 40.800 0.177 0.000 1.032 266 D HN -0.012 nan 8.370 nan 0.000 0.506 267 P HA -0.117 nan 4.420 nan 0.000 0.220 267 P C 0.833 178.132 177.300 -0.001 0.000 1.144 267 P CA 0.841 63.893 63.100 -0.080 0.000 0.800 267 P CB 0.324 31.982 31.700 -0.069 0.000 0.772 268 A N -0.716 122.120 122.820 0.025 0.000 2.066 268 A HA -0.078 4.243 4.320 0.002 0.000 0.218 268 A C 1.602 179.236 177.584 0.083 0.000 1.157 268 A CA 1.149 53.237 52.037 0.084 0.000 0.670 268 A CB -0.688 18.384 19.000 0.119 0.000 0.804 268 A HN 0.150 nan 8.150 nan 0.000 0.453 269 N N -0.261 118.470 118.700 0.050 0.000 2.238 269 N HA 0.135 4.876 4.740 0.002 0.000 0.222 269 N C 1.114 176.624 175.510 0.000 0.000 1.133 269 N CA 0.146 53.217 53.050 0.035 0.000 0.854 269 N CB 0.686 39.189 38.487 0.027 0.000 1.041 269 N HN 0.180 nan 8.380 nan 0.000 0.510 270 V N 1.275 121.192 119.914 0.004 0.000 2.252 270 V HA -0.279 3.842 4.120 0.002 0.000 0.249 270 V C 2.476 178.577 176.094 0.011 0.000 1.056 270 V CA 1.952 64.255 62.300 0.005 0.000 1.022 270 V CB -0.313 31.521 31.823 0.019 0.000 0.641 270 V HN 0.387 nan 8.190 nan 0.000 0.445 271 E N -0.399 119.809 120.200 0.013 0.000 2.038 271 E HA -0.283 4.068 4.350 0.002 0.000 0.195 271 E C 2.126 178.645 176.600 -0.134 0.000 1.000 271 E CA 1.964 58.343 56.400 -0.035 0.000 0.803 271 E CB -0.238 29.478 29.700 0.027 0.000 0.750 271 E HN 0.498 nan 8.360 nan 0.000 0.448 272 I N 0.738 121.245 120.570 -0.105 0.000 2.361 272 I HA -0.214 3.957 4.170 0.002 0.000 0.251 272 I C 2.024 178.102 176.117 -0.065 0.000 1.133 272 I CA 1.555 62.773 61.300 -0.136 0.000 1.413 272 I CB -0.363 37.622 38.000 -0.026 0.000 1.073 272 I HN 0.099 nan 8.210 nan 0.000 0.424 273 T N 0.364 114.909 114.554 -0.016 0.000 2.708 273 T HA -0.167 4.184 4.350 0.002 0.000 0.266 273 T C 1.744 176.530 174.700 0.142 0.000 1.037 273 T CA 1.828 63.972 62.100 0.073 0.000 1.146 273 T CB -0.252 68.657 68.868 0.070 0.000 0.865 273 T HN 0.470 nan 8.240 nan 0.000 0.435 274 E N 0.744 120.990 120.200 0.077 0.000 2.110 274 E HA -0.061 4.290 4.350 0.002 0.000 0.193 274 E C 2.206 178.840 176.600 0.058 0.000 0.988 274 E CA 0.815 57.259 56.400 0.073 0.000 0.804 274 E CB -0.295 29.422 29.700 0.029 0.000 0.745 274 E HN 0.415 nan 8.360 nan 0.000 0.458 275 L N 0.260 121.480 121.223 -0.004 0.000 2.131 275 L HA -0.213 4.128 4.340 0.002 0.000 0.210 275 L C 2.512 179.491 176.870 0.182 0.000 1.092 275 L CA 0.625 55.496 54.840 0.051 0.000 0.759 275 L CB -0.346 41.666 42.059 -0.078 0.000 0.903 275 L HN 0.321 nan 8.230 nan 0.000 0.435 276 C N -0.061 119.314 119.300 0.125 0.000 2.462 276 C HA -0.108 4.353 4.460 0.002 0.000 0.278 276 C C 2.695 177.861 174.990 0.293 0.000 1.253 276 C CA 0.334 59.450 59.018 0.164 0.000 1.713 276 C CB -0.517 27.274 27.740 0.085 0.000 2.049 276 C HN 0.418 nan 8.230 nan 0.000 0.477 277 I N 0.676 121.437 120.570 0.319 0.000 2.361 277 I HA -0.250 3.921 4.170 0.002 0.000 0.251 277 I C 2.608 178.784 176.117 0.099 0.000 1.133 277 I CA 1.423 62.853 61.300 0.217 0.000 1.413 277 I CB -0.588 37.496 38.000 0.140 0.000 1.073 277 I HN 0.498 nan 8.210 nan 0.000 0.424 278 Q N 0.166 120.013 119.800 0.080 0.000 2.515 278 Q HA -0.155 4.186 4.340 0.002 0.000 0.212 278 Q C 0.615 176.488 176.000 -0.213 0.000 0.970 278 Q CA 1.036 56.810 55.803 -0.049 0.000 0.941 278 Q CB 0.088 28.795 28.738 -0.052 0.000 0.998 278 Q HN 0.603 nan 8.270 nan 0.000 0.518 279 H N -2.247 116.813 119.070 -0.017 0.000 2.767 279 H HA 0.307 4.864 4.556 0.002 0.000 0.260 279 H C 0.365 175.668 175.328 -0.041 0.000 1.172 279 H CA 0.455 56.467 56.048 -0.059 0.000 1.048 279 H CB 1.573 31.260 29.762 -0.125 0.000 1.697 279 H HN 0.316 nan 8.280 nan 0.000 0.606 280 G N 0.100 108.938 108.800 0.064 0.000 2.144 280 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 280 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 280 G C -0.231 174.727 174.900 0.096 0.000 0.988 280 G CA -0.164 44.960 45.100 0.038 0.000 0.659 280 G HN 0.333 nan 8.290 nan 0.000 0.522 281 W N 2.528 123.810 121.300 -0.031 0.000 2.287 281 W HA 0.653 5.314 4.660 0.002 0.000 0.313 281 W C 0.326 176.836 176.519 -0.016 0.000 1.267 281 W CA -0.071 57.258 57.345 -0.026 0.000 1.201 281 W CB 0.874 30.329 29.460 -0.008 0.000 1.196 281 W HN 0.072 nan 8.180 nan 0.000 0.536 282 T N 9.715 123.831 114.554 -0.730 0.000 2.738 282 T HA 0.167 4.518 4.350 0.002 0.000 0.294 282 T C -2.065 171.763 174.700 -1.452 0.000 0.914 282 T CA -0.865 60.779 62.100 -0.760 0.000 1.052 282 T CB 0.251 68.870 68.868 -0.415 0.000 0.897 282 T HN 0.240 nan 8.240 nan 0.000 0.522 283 P HA 0.273 nan 4.420 nan 0.000 0.272 283 P C 0.426 177.299 177.300 -0.712 0.000 1.230 283 P CA -0.235 62.082 63.100 -1.304 0.000 0.788 283 P CB 0.893 32.169 31.700 -0.706 0.000 0.949 284 G N 1.000 109.579 108.800 -0.369 0.000 2.606 284 G HA2 0.304 4.265 3.960 0.002 0.000 0.262 284 G HA3 0.304 4.265 3.960 0.002 0.000 0.262 284 G C 0.225 174.935 174.900 -0.317 0.000 1.394 284 G CA -0.542 44.477 45.100 -0.136 0.000 1.044 284 G HN 0.712 nan 8.290 nan 0.000 0.553 285 N N -0.618 118.029 118.700 -0.089 0.000 2.475 285 N HA 0.215 4.956 4.740 0.002 0.000 0.272 285 N C 0.228 175.804 175.510 0.110 0.000 1.482 285 N CA 0.026 53.005 53.050 -0.117 0.000 0.863 285 N CB 0.675 39.083 38.487 -0.133 0.000 1.400 285 N HN 0.666 nan 8.380 nan 0.000 0.489 286 G N 0.365 109.323 108.800 0.263 0.000 2.705 286 G HA2 0.418 4.379 3.960 0.002 0.000 0.299 286 G HA3 0.418 4.379 3.960 0.002 0.000 0.299 286 G C 0.469 175.469 174.900 0.168 0.000 1.315 286 G CA -0.694 44.528 45.100 0.204 0.000 1.045 286 G HN 0.121 nan 8.290 nan 0.000 0.517 287 R N -1.322 119.199 120.500 0.034 0.000 2.223 287 R HA 0.150 4.491 4.340 0.002 0.000 0.198 287 R C -0.176 175.762 176.300 -0.602 0.000 0.984 287 R CA 0.660 56.607 56.100 -0.254 0.000 1.018 287 R CB 0.192 30.285 30.300 -0.346 0.000 0.945 287 R HN 0.359 nan 8.270 nan 0.000 0.479 288 F N 1.170 121.049 119.950 -0.117 0.000 2.597 288 F HA 0.275 4.803 4.527 0.002 0.000 0.336 288 F C -0.768 174.933 175.800 -0.164 0.000 1.432 288 F CA -1.178 56.475 58.000 -0.579 0.000 1.120 288 F CB 0.621 39.058 39.000 -0.939 0.000 1.253 288 F HN -0.284 nan 8.300 nan 0.000 0.546 289 D N 1.576 122.109 120.400 0.221 0.000 2.313 289 D HA 0.199 4.840 4.640 0.002 0.000 0.239 289 D C 0.191 176.714 176.300 0.372 0.000 1.142 289 D CA -0.012 54.192 54.000 0.339 0.000 0.847 289 D CB 2.205 43.268 40.800 0.439 0.000 1.082 289 D HN -0.036 nan 8.370 nan 0.000 0.480 290 V N 3.707 123.817 119.914 0.326 0.000 2.540 290 V HA -0.040 4.081 4.120 0.002 0.000 0.297 290 V C 0.985 177.056 176.094 -0.039 0.000 1.024 290 V CA -0.082 62.291 62.300 0.121 0.000 1.105 290 V CB 0.117 31.970 31.823 0.049 0.000 0.938 290 V HN 0.349 nan 8.190 nan 0.000 0.482 291 L N 8.496 129.602 121.223 -0.194 0.000 2.436 291 L HA 0.360 4.701 4.340 0.002 0.000 0.265 291 L C -1.637 174.970 176.870 -0.438 0.000 1.168 291 L CA -1.309 53.272 54.840 -0.431 0.000 0.815 291 L CB 0.863 42.716 42.059 -0.344 0.000 1.109 291 L HN 0.499 nan 8.230 nan 0.000 0.462 292 P HA 0.284 nan 4.420 nan 0.000 0.279 292 P C -1.152 175.989 177.300 -0.265 0.000 1.276 292 P CA -0.566 62.276 63.100 -0.430 0.000 0.801 292 P CB 1.131 32.452 31.700 -0.632 0.000 1.127 293 L N 0.391 121.553 121.223 -0.102 0.000 2.343 293 L HA 0.430 4.771 4.340 0.002 0.000 0.275 293 L C 0.417 177.277 176.870 -0.018 0.000 1.056 293 L CA -0.844 53.986 54.840 -0.017 0.000 0.804 293 L CB 0.816 42.934 42.059 0.098 0.000 1.203 293 L HN 0.204 nan 8.230 nan 0.000 0.440 294 L N 4.473 125.673 121.223 -0.037 0.000 2.356 294 L HA 0.429 4.770 4.340 0.002 0.000 0.264 294 L C -0.619 176.177 176.870 -0.124 0.000 1.029 294 L CA -0.202 54.530 54.840 -0.180 0.000 0.897 294 L CB 0.776 42.645 42.059 -0.316 0.000 1.256 294 L HN 0.423 nan 8.230 nan 0.000 0.444 295 L N 3.126 124.343 121.223 -0.010 0.000 2.334 295 L HA 0.478 4.819 4.340 0.002 0.000 0.277 295 L C -0.104 176.726 176.870 -0.066 0.000 1.075 295 L CA -0.253 54.590 54.840 0.004 0.000 0.804 295 L CB 1.475 43.543 42.059 0.015 0.000 1.174 295 L HN 0.555 nan 8.230 nan 0.000 0.438 296 Q N 2.362 122.137 119.800 -0.043 0.000 2.292 296 Q HA 0.642 4.983 4.340 0.002 0.000 0.270 296 Q C -1.328 174.603 176.000 -0.114 0.000 1.024 296 Q CA -0.581 55.183 55.803 -0.066 0.000 0.768 296 Q CB 2.266 31.022 28.738 0.031 0.000 1.250 296 Q HN 0.788 nan 8.270 nan 0.000 0.447 297 A N 4.743 127.441 122.820 -0.204 0.000 2.271 297 A HA 0.689 5.010 4.320 0.002 0.000 0.288 297 A C -2.432 174.884 177.584 -0.446 0.000 1.094 297 A CA -1.563 50.178 52.037 -0.492 0.000 0.828 297 A CB 0.114 18.920 19.000 -0.323 0.000 1.091 297 A HN 0.626 nan 8.150 nan 0.000 0.493 298 P HA -0.007 nan 4.420 nan 0.000 0.263 298 P C -0.599 176.608 177.300 -0.155 0.000 1.175 298 P CA 0.748 63.656 63.100 -0.320 0.000 0.761 298 P CB 0.128 31.651 31.700 -0.294 0.000 0.794 299 D N -0.014 120.342 120.400 -0.073 0.000 2.733 299 D HA -0.203 4.438 4.640 0.002 0.000 0.232 299 D C 0.086 176.372 176.300 -0.023 0.000 1.161 299 D CA 1.378 55.363 54.000 -0.026 0.000 0.653 299 D CB -0.464 40.324 40.800 -0.020 0.000 1.052 299 D HN 0.443 nan 8.370 nan 0.000 0.424 300 E N -0.893 119.286 120.200 -0.035 0.000 2.336 300 E HA 0.672 5.023 4.350 0.002 0.000 0.267 300 E C -0.178 176.409 176.600 -0.022 0.000 0.906 300 E CA -0.836 55.543 56.400 -0.034 0.000 0.781 300 E CB 1.730 31.392 29.700 -0.063 0.000 1.261 300 E HN 0.106 nan 8.360 nan 0.000 0.436 301 A N 2.918 125.723 122.820 -0.026 0.000 2.425 301 A HA 0.386 4.707 4.320 0.002 0.000 0.249 301 A C -1.976 175.509 177.584 -0.166 0.000 1.084 301 A CA -0.890 51.120 52.037 -0.044 0.000 0.781 301 A CB -0.479 18.518 19.000 -0.005 0.000 1.019 301 A HN 0.271 nan 8.150 nan 0.000 0.490 302 P HA 0.123 nan 4.420 nan 0.000 0.269 302 P C -0.541 176.505 177.300 -0.423 0.000 1.217 302 P CA 0.222 62.991 63.100 -0.552 0.000 0.783 302 P CB 0.661 31.597 31.700 -1.274 0.000 0.898 303 E N 0.210 120.233 120.200 -0.295 0.000 2.227 303 E HA 0.464 4.815 4.350 0.002 0.000 0.268 303 E C -0.840 175.510 176.600 -0.416 0.000 0.907 303 E CA -1.083 55.125 56.400 -0.319 0.000 0.786 303 E CB 1.623 31.190 29.700 -0.222 0.000 1.191 303 E HN 0.266 nan 8.360 nan 0.000 0.411 304 L N 2.662 123.535 121.223 -0.583 0.000 2.289 304 L HA 0.486 4.827 4.340 0.002 0.000 0.285 304 L C -1.636 174.728 176.870 -0.843 0.000 1.049 304 L CA 0.016 54.560 54.840 -0.493 0.000 0.804 304 L CB 0.284 42.171 42.059 -0.286 0.000 1.195 304 L HN 0.402 nan 8.230 nan 0.000 0.428 305 F N 4.027 123.770 119.950 -0.345 0.000 2.557 305 F HA 0.495 5.023 4.527 0.002 0.000 0.316 305 F C -0.369 175.199 175.800 -0.388 0.000 1.141 305 F CA -0.882 56.776 58.000 -0.570 0.000 0.922 305 F CB 1.862 40.172 39.000 -1.149 0.000 1.194 305 F HN 0.038 nan 8.300 nan 0.000 0.443 306 V N 4.434 124.269 119.914 -0.131 0.000 2.509 306 V HA 0.321 4.442 4.120 0.002 0.000 0.284 306 V C 0.171 176.365 176.094 0.167 0.000 1.047 306 V CA -0.753 61.550 62.300 0.004 0.000 0.952 306 V CB 1.545 33.399 31.823 0.051 0.000 0.988 306 V HN 0.550 nan 8.190 nan 0.000 0.469 307 L N 6.706 128.040 121.223 0.184 0.000 2.380 307 L HA 0.302 4.643 4.340 0.002 0.000 0.273 307 L C -2.134 174.834 176.870 0.164 0.000 1.138 307 L CA -1.457 53.523 54.840 0.234 0.000 0.832 307 L CB 0.753 42.878 42.059 0.109 0.000 1.124 307 L HN 0.451 nan 8.230 nan 0.000 0.454 308 P HA 0.077 nan 4.420 nan 0.000 0.264 308 P C -2.005 175.338 177.300 0.072 0.000 1.229 308 P CA -0.942 62.224 63.100 0.109 0.000 0.780 308 P CB 0.515 32.268 31.700 0.088 0.000 0.808 309 P HA -0.289 nan 4.420 nan 0.000 0.219 309 P C 1.435 178.762 177.300 0.046 0.000 1.158 309 P CA 1.572 64.709 63.100 0.062 0.000 0.895 309 P CB -0.190 31.549 31.700 0.065 0.000 0.792 310 E N -0.744 119.480 120.200 0.040 0.000 2.401 310 E HA -0.157 4.194 4.350 0.002 0.000 0.199 310 E C 1.502 178.115 176.600 0.022 0.000 1.023 310 E CA 1.110 57.527 56.400 0.028 0.000 0.859 310 E CB -0.920 28.795 29.700 0.024 0.000 0.780 310 E HN 0.243 nan 8.360 nan 0.000 0.523 311 L N 0.636 121.873 121.223 0.023 0.000 2.416 311 L HA 0.078 4.419 4.340 0.002 0.000 0.216 311 L C 0.810 177.691 176.870 0.018 0.000 1.098 311 L CA 0.449 55.297 54.840 0.013 0.000 0.840 311 L CB 0.483 42.539 42.059 -0.005 0.000 0.981 311 L HN -0.117 nan 8.230 nan 0.000 0.462 312 V N 1.880 121.807 119.914 0.023 0.000 2.299 312 V HA 0.151 4.272 4.120 0.002 0.000 0.255 312 V C 0.069 176.190 176.094 0.045 0.000 1.100 312 V CA -0.724 61.590 62.300 0.023 0.000 0.938 312 V CB 0.539 32.367 31.823 0.009 0.000 1.139 312 V HN 0.022 nan 8.190 nan 0.000 0.490 313 L N 5.384 126.641 121.223 0.056 0.000 2.410 313 L HA 0.373 4.714 4.340 0.002 0.000 0.273 313 L C 0.227 177.141 176.870 0.074 0.000 1.152 313 L CA 0.863 55.733 54.840 0.051 0.000 0.855 313 L CB 0.261 42.347 42.059 0.046 0.000 1.129 313 L HN 0.642 nan 8.230 nan 0.000 0.463 314 E N 3.239 123.460 120.200 0.034 0.000 2.336 314 E HA 0.599 4.950 4.350 0.002 0.000 0.267 314 E C -1.497 175.055 176.600 -0.082 0.000 0.906 314 E CA -1.054 55.367 56.400 0.036 0.000 0.781 314 E CB 2.436 32.186 29.700 0.084 0.000 1.261 314 E HN 0.358 nan 8.360 nan 0.000 0.436 315 V N 2.598 122.432 119.914 -0.134 0.000 2.407 315 V HA 0.320 4.441 4.120 0.002 0.000 0.291 315 V C -2.448 173.567 176.094 -0.132 0.000 1.018 315 V CA -1.999 60.144 62.300 -0.263 0.000 0.842 315 V CB 1.457 32.852 31.823 -0.713 0.000 0.996 315 V HN 0.515 nan 8.190 nan 0.000 0.426 316 P HA 0.328 nan 4.420 nan 0.000 0.276 316 P C -0.750 176.539 177.300 -0.018 0.000 1.230 316 P CA -0.177 62.881 63.100 -0.069 0.000 0.776 316 P CB 0.608 32.276 31.700 -0.053 0.000 0.888 317 L N 3.853 125.101 121.223 0.041 0.000 2.275 317 L HA 0.462 4.803 4.340 0.002 0.000 0.288 317 L C 0.913 177.937 176.870 0.258 0.000 1.046 317 L CA -0.167 54.764 54.840 0.153 0.000 0.805 317 L CB 0.534 42.745 42.059 0.254 0.000 1.193 317 L HN 0.484 nan 8.230 nan 0.000 0.426 318 E N 1.727 122.036 120.200 0.182 0.000 2.429 318 E HA 0.431 4.782 4.350 0.002 0.000 0.276 318 E C -1.297 175.310 176.600 0.012 0.000 0.953 318 E CA -0.973 55.552 56.400 0.208 0.000 0.787 318 E CB 2.188 31.983 29.700 0.159 0.000 1.307 318 E HN 0.432 nan 8.360 nan 0.000 0.458 319 H N 0.898 119.840 119.070 -0.212 0.000 2.479 319 H HA 0.243 4.800 4.556 0.002 0.000 0.335 319 H C -1.941 173.118 175.328 -0.449 0.000 1.142 319 H CA -2.160 53.621 56.048 -0.446 0.000 1.234 319 H CB 1.964 31.373 29.762 -0.588 0.000 1.503 319 H HN 0.354 nan 8.280 nan 0.000 0.510 320 P HA -0.132 nan 4.420 nan 0.000 0.215 320 P C 1.040 178.164 177.300 -0.293 0.000 1.153 320 P CA 2.323 64.916 63.100 -0.846 0.000 0.853 320 P CB 0.356 31.557 31.700 -0.832 0.000 0.788 321 T N -5.468 109.068 114.554 -0.030 0.000 2.964 321 T HA 0.193 4.544 4.350 0.002 0.000 0.249 321 T C 0.704 175.358 174.700 -0.076 0.000 1.000 321 T CA -0.141 61.952 62.100 -0.011 0.000 0.992 321 T CB -0.624 68.249 68.868 0.008 0.000 1.087 321 T HN -0.094 nan 8.240 nan 0.000 0.489 322 L N 3.529 124.639 121.223 -0.189 0.000 2.404 322 L HA 0.322 4.663 4.340 0.002 0.000 0.277 322 L C 1.435 177.923 176.870 -0.636 0.000 1.184 322 L CA -0.549 53.863 54.840 -0.713 0.000 1.013 322 L CB 0.398 41.571 42.059 -1.477 0.000 1.318 322 L HN 0.332 nan 8.230 nan 0.000 0.435 323 E N 2.230 122.246 120.200 -0.306 0.000 2.187 323 E HA -0.272 4.079 4.350 0.002 0.000 0.199 323 E C 1.666 178.245 176.600 -0.036 0.000 1.004 323 E CA 1.803 58.141 56.400 -0.103 0.000 0.813 323 E CB -0.291 29.418 29.700 0.014 0.000 0.736 323 E HN 0.780 nan 8.360 nan 0.000 0.468 324 W N -0.232 121.115 121.300 0.078 0.000 2.678 324 W HA 0.106 4.767 4.660 0.002 0.000 0.256 324 W C 1.409 177.977 176.519 0.083 0.000 1.280 324 W CA -0.109 57.272 57.345 0.060 0.000 1.345 324 W CB -0.988 28.485 29.460 0.022 0.000 1.118 324 W HN -0.013 nan 8.180 nan 0.000 0.629 325 F N 3.035 122.830 119.950 -0.258 0.000 2.120 325 F HA -0.182 4.346 4.527 0.002 0.000 0.300 325 F C 2.700 178.539 175.800 0.065 0.000 1.095 325 F CA 3.080 61.027 58.000 -0.087 0.000 1.249 325 F CB -0.515 38.308 39.000 -0.295 0.000 0.995 325 F HN -0.077 nan 8.300 nan 0.000 0.480 326 A N 0.026 122.995 122.820 0.248 0.000 2.024 326 A HA -0.128 4.193 4.320 0.002 0.000 0.220 326 A C 2.349 179.991 177.584 0.096 0.000 1.164 326 A CA 1.574 53.717 52.037 0.176 0.000 0.643 326 A CB -1.418 17.659 19.000 0.129 0.000 0.806 326 A HN 0.488 nan 8.150 nan 0.000 0.451 327 A N 0.215 123.097 122.820 0.105 0.000 1.908 327 A HA -0.105 4.216 4.320 0.002 0.000 0.218 327 A C 2.022 179.630 177.584 0.039 0.000 1.181 327 A CA 1.492 53.579 52.037 0.082 0.000 0.627 327 A CB -0.708 18.365 19.000 0.123 0.000 0.818 327 A HN 0.528 nan 8.150 nan 0.000 0.445 328 L N -0.894 120.321 121.223 -0.015 0.000 2.270 328 L HA -0.138 4.203 4.340 0.002 0.000 0.217 328 L C 1.817 178.691 176.870 0.007 0.000 1.107 328 L CA 0.765 55.575 54.840 -0.051 0.000 0.772 328 L CB -1.112 40.811 42.059 -0.227 0.000 0.902 328 L HN 0.645 nan 8.230 nan 0.000 0.439 329 G N 0.455 109.257 108.800 0.004 0.000 2.221 329 G HA2 -0.287 3.674 3.960 0.002 0.000 0.265 329 G HA3 -0.287 3.674 3.960 0.002 0.000 0.265 329 G C 0.141 174.996 174.900 -0.074 0.000 1.041 329 G CA 0.046 45.147 45.100 0.002 0.000 0.807 329 G HN 0.272 nan 8.290 nan 0.000 0.502 330 L N -0.479 120.689 121.223 -0.092 0.000 2.418 330 L HA 0.820 5.161 4.340 0.002 0.000 0.265 330 L C 1.092 177.713 176.870 -0.415 0.000 1.143 330 L CA -0.660 54.033 54.840 -0.245 0.000 0.809 330 L CB 0.963 43.041 42.059 0.032 0.000 1.124 330 L HN 0.568 nan 8.230 nan 0.000 0.456 331 R N 1.031 121.063 120.500 -0.780 0.000 2.712 331 R HA 0.467 4.808 4.340 0.002 0.000 0.272 331 R C -2.160 174.102 176.300 -0.063 0.000 1.032 331 R CA -1.026 54.833 56.100 -0.402 0.000 0.874 331 R CB 1.618 31.630 30.300 -0.480 0.000 1.256 331 R HN 0.631 nan 8.270 nan 0.000 0.468 332 W N 1.854 123.145 121.300 -0.015 0.000 3.118 332 W HA 0.382 5.043 4.660 0.002 0.000 0.328 332 W C -1.124 175.504 176.519 0.183 0.000 1.239 332 W CA -1.029 56.404 57.345 0.147 0.000 1.176 332 W CB 2.084 31.508 29.460 -0.061 0.000 1.433 332 W HN 0.699 nan 8.180 nan 0.000 0.562 333 Y N 0.855 121.057 120.300 -0.165 0.000 2.300 333 Y HA 0.564 5.115 4.550 0.002 0.000 0.328 333 Y C 0.775 176.913 175.900 0.397 0.000 1.270 333 Y CA 0.030 58.139 58.100 0.015 0.000 1.352 333 Y CB 0.302 38.630 38.460 -0.221 0.000 1.286 333 Y HN 0.341 nan 8.280 nan 0.000 0.536 334 A N 1.807 124.913 122.820 0.478 0.000 2.021 334 A HA 0.094 4.415 4.320 0.002 0.000 0.216 334 A C 0.464 178.410 177.584 0.604 0.000 1.163 334 A CA 0.243 52.630 52.037 0.583 0.000 0.676 334 A CB -0.251 18.938 19.000 0.314 0.000 0.818 334 A HN 0.654 nan 8.150 nan 0.000 0.453 335 L N 2.177 123.711 121.223 0.518 0.000 2.259 335 L HA 0.387 4.728 4.340 0.002 0.000 0.288 335 L C -2.515 174.537 176.870 0.303 0.000 1.051 335 L CA -2.220 52.827 54.840 0.344 0.000 0.824 335 L CB 1.375 43.563 42.059 0.215 0.000 1.206 335 L HN -0.022 nan 8.230 nan 0.000 0.429 336 P HA 0.268 nan 4.420 nan 0.000 0.283 336 P C -1.226 176.001 177.300 -0.122 0.000 1.412 336 P CA -0.288 62.693 63.100 -0.198 0.000 0.912 336 P CB 1.170 32.328 31.700 -0.902 0.000 1.132 337 A N 4.778 127.541 122.820 -0.095 0.000 2.709 337 A HA 0.371 4.692 4.320 0.002 0.000 0.332 337 A C 0.033 177.401 177.584 -0.360 0.000 1.241 337 A CA -0.648 51.250 52.037 -0.231 0.000 0.782 337 A CB 0.377 19.256 19.000 -0.201 0.000 1.109 337 A HN 0.297 nan 8.150 nan 0.000 0.472 338 V N 2.433 121.985 119.914 -0.604 0.000 2.540 338 V HA 0.139 4.260 4.120 0.002 0.000 0.297 338 V C 1.235 176.937 176.094 -0.654 0.000 1.024 338 V CA 1.395 63.309 62.300 -0.643 0.000 1.105 338 V CB 0.827 32.145 31.823 -0.841 0.000 0.938 338 V HN 1.019 nan 8.190 nan 0.000 0.482 339 S N 1.508 117.030 115.700 -0.297 0.000 2.780 339 S HA 0.071 4.542 4.470 0.002 0.000 0.248 339 S C 0.751 175.339 174.600 -0.020 0.000 1.036 339 S CA 0.028 58.134 58.200 -0.156 0.000 1.061 339 S CB -0.412 62.733 63.200 -0.092 0.000 1.037 339 S HN 0.923 nan 8.310 nan 0.000 0.584 340 N N 0.491 119.188 118.700 -0.004 0.000 2.187 340 N HA 0.293 5.034 4.740 0.002 0.000 0.212 340 N C 0.226 175.793 175.510 0.096 0.000 1.152 340 N CA -0.491 52.594 53.050 0.057 0.000 0.872 340 N CB 0.110 38.633 38.487 0.060 0.000 1.025 340 N HN 0.269 nan 8.380 nan 0.000 0.514 341 M N 1.292 120.962 119.600 0.116 0.000 2.368 341 M HA 0.329 4.810 4.480 0.002 0.000 0.311 341 M C -0.569 175.867 176.300 0.227 0.000 1.168 341 M CA -0.787 54.625 55.300 0.187 0.000 1.044 341 M CB 2.190 34.932 32.600 0.238 0.000 1.506 341 M HN 0.112 nan 8.290 nan 0.000 0.475 342 L N 2.576 123.921 121.223 0.204 0.000 2.322 342 L HA 0.550 4.891 4.340 0.002 0.000 0.281 342 L C -1.426 175.547 176.870 0.171 0.000 1.014 342 L CA -1.003 53.943 54.840 0.177 0.000 0.815 342 L CB 1.320 43.433 42.059 0.091 0.000 1.247 342 L HN 0.594 nan 8.230 nan 0.000 0.421 343 L N 5.149 126.471 121.223 0.165 0.000 2.264 343 L HA 0.455 4.796 4.340 0.002 0.000 0.289 343 L C -0.453 176.432 176.870 0.026 0.000 1.044 343 L CA 0.326 55.142 54.840 -0.040 0.000 0.807 343 L CB 1.056 43.075 42.059 -0.066 0.000 1.192 343 L HN 0.654 nan 8.230 nan 0.000 0.425 344 E N 6.629 126.758 120.200 -0.118 0.000 2.145 344 E HA 0.405 4.756 4.350 0.002 0.000 0.270 344 E C -1.580 174.926 176.600 -0.157 0.000 0.906 344 E CA -0.440 55.903 56.400 -0.094 0.000 0.761 344 E CB 1.125 30.765 29.700 -0.100 0.000 1.116 344 E HN 0.732 nan 8.360 nan 0.000 0.408 345 I N 2.606 123.088 120.570 -0.148 0.000 2.500 345 I HA 0.265 4.436 4.170 0.002 0.000 0.286 345 I C 0.727 176.622 176.117 -0.371 0.000 1.063 345 I CA -0.730 60.348 61.300 -0.371 0.000 1.062 345 I CB 1.986 39.707 38.000 -0.465 0.000 1.223 345 I HN 0.782 nan 8.210 nan 0.000 0.435 346 G N 4.231 112.852 108.800 -0.299 0.000 2.356 346 G HA2 -0.119 3.842 3.960 0.002 0.000 0.296 346 G HA3 -0.119 3.842 3.960 0.002 0.000 0.296 346 G C 1.055 176.014 174.900 0.099 0.000 1.022 346 G CA 0.806 45.931 45.100 0.042 0.000 0.961 346 G HN 1.552 nan 8.290 nan 0.000 0.510 347 G N -1.856 106.943 108.800 -0.002 0.000 2.267 347 G HA2 -0.277 3.684 3.960 0.002 0.000 0.257 347 G HA3 -0.277 3.684 3.960 0.002 0.000 0.257 347 G C 0.589 175.412 174.900 -0.128 0.000 0.998 347 G CA 0.583 45.673 45.100 -0.017 0.000 0.620 347 G HN 1.331 nan 8.290 nan 0.000 0.529 348 L N 1.002 122.086 121.223 -0.233 0.000 2.371 348 L HA 0.505 4.846 4.340 0.002 0.000 0.272 348 L C 0.406 176.996 176.870 -0.466 0.000 1.124 348 L CA -0.212 54.363 54.840 -0.443 0.000 0.816 348 L CB 0.920 42.613 42.059 -0.609 0.000 1.129 348 L HN 0.214 nan 8.230 nan 0.000 0.448 349 E N 2.808 122.675 120.200 -0.555 0.000 2.158 349 E HA 0.366 4.717 4.350 0.002 0.000 0.271 349 E C -1.452 174.783 176.600 -0.609 0.000 0.911 349 E CA -0.475 55.676 56.400 -0.414 0.000 0.767 349 E CB 1.706 31.278 29.700 -0.212 0.000 1.120 349 E HN 0.269 nan 8.360 nan 0.000 0.405 350 F N 1.945 121.856 119.950 -0.066 0.000 2.307 350 F HA 0.093 4.621 4.527 0.002 0.000 0.369 350 F C 1.528 177.354 175.800 0.043 0.000 1.076 350 F CA -0.509 57.478 58.000 -0.021 0.000 1.149 350 F CB 1.103 40.074 39.000 -0.049 0.000 1.410 350 F HN 0.428 nan 8.300 nan 0.000 0.481 351 S N 1.391 117.179 115.700 0.146 0.000 2.474 351 S HA 0.092 4.563 4.470 0.002 0.000 0.235 351 S C 0.905 175.629 174.600 0.207 0.000 0.997 351 S CA 0.507 58.795 58.200 0.147 0.000 0.949 351 S CB -0.013 63.256 63.200 0.114 0.000 0.766 351 S HN 0.501 nan 8.310 nan 0.000 0.517 352 A N 0.524 123.514 122.820 0.284 0.000 2.646 352 A HA 0.812 5.133 4.320 0.002 0.000 0.312 352 A C -0.171 177.659 177.584 0.410 0.000 1.245 352 A CA -0.160 52.082 52.037 0.342 0.000 0.755 352 A CB 0.628 19.839 19.000 0.352 0.000 1.132 352 A HN 0.855 nan 8.150 nan 0.000 0.458 353 A N 3.924 126.923 122.820 0.298 0.000 3.082 353 A HA 0.682 5.003 4.320 0.002 0.000 0.328 353 A C -2.922 174.793 177.584 0.218 0.000 1.089 353 A CA -1.225 50.943 52.037 0.218 0.000 0.802 353 A CB 0.494 19.623 19.000 0.215 0.000 1.138 353 A HN 0.477 nan 8.150 nan 0.000 0.474 354 P HA 0.395 nan 4.420 nan 0.000 0.271 354 P C -0.824 176.501 177.300 0.042 0.000 1.220 354 P CA 0.361 63.433 63.100 -0.047 0.000 0.768 354 P CB 0.376 32.022 31.700 -0.091 0.000 0.848 355 F N 0.243 120.160 119.950 -0.056 0.000 2.593 355 F HA 0.816 5.344 4.527 0.002 0.000 0.320 355 F C -0.606 175.125 175.800 -0.114 0.000 1.060 355 F CA -1.255 56.707 58.000 -0.063 0.000 0.940 355 F CB 1.658 40.491 39.000 -0.279 0.000 1.268 355 F HN 0.437 nan 8.300 nan 0.000 0.475 356 S N 0.049 115.866 115.700 0.196 0.000 2.547 356 S HA 0.908 5.379 4.470 0.002 0.000 0.270 356 S C -0.830 173.756 174.600 -0.023 0.000 1.150 356 S CA -0.163 58.079 58.200 0.070 0.000 0.850 356 S CB 1.381 64.672 63.200 0.152 0.000 1.118 356 S HN 1.549 nan 8.310 nan 0.000 0.461 357 G N 0.035 108.776 108.800 -0.099 0.000 3.418 357 G HA2 0.731 4.692 3.960 0.002 0.000 0.179 357 G HA3 0.731 4.692 3.960 0.002 0.000 0.179 357 G C -1.490 173.449 174.900 0.064 0.000 1.212 357 G CA -0.141 44.850 45.100 -0.181 0.000 0.935 357 G HN 1.270 nan 8.290 nan 0.000 0.716 358 W N -1.336 119.956 121.300 -0.013 0.000 3.083 358 W HA 0.811 5.472 4.660 0.002 0.000 0.333 358 W C -1.782 174.714 176.519 -0.039 0.000 1.217 358 W CA -2.175 55.176 57.345 0.010 0.000 1.170 358 W CB 0.426 29.939 29.460 0.088 0.000 1.437 358 W HN 0.396 nan 8.180 nan 0.000 0.557 359 Y N 2.748 123.216 120.300 0.280 0.000 2.336 359 Y HA 0.309 4.860 4.550 0.002 0.000 0.331 359 Y C 0.862 176.809 175.900 0.078 0.000 1.211 359 Y CA -0.556 57.587 58.100 0.071 0.000 1.346 359 Y CB 1.186 39.569 38.460 -0.128 0.000 1.271 359 Y HN 0.448 nan 8.280 nan 0.000 0.538 360 M N 2.269 122.003 119.600 0.224 0.000 2.180 360 M HA 0.204 4.685 4.480 0.002 0.000 0.350 360 M C 0.994 177.304 176.300 0.017 0.000 1.125 360 M CA -0.348 55.026 55.300 0.123 0.000 1.031 360 M CB 1.185 33.836 32.600 0.084 0.000 1.623 360 M HN 0.857 nan 8.290 nan 0.000 0.451 361 S N 1.470 117.143 115.700 -0.046 0.000 2.400 361 S HA -0.222 4.249 4.470 0.002 0.000 0.234 361 S C 1.490 175.982 174.600 -0.181 0.000 1.049 361 S CA 2.325 60.433 58.200 -0.153 0.000 1.039 361 S CB -1.464 61.687 63.200 -0.082 0.000 0.856 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N 0.111 114.585 114.554 -0.134 0.000 2.915 362 T HA -0.021 4.330 4.350 0.002 0.000 0.269 362 T C 1.563 176.129 174.700 -0.224 0.000 1.071 362 T CA 1.187 63.158 62.100 -0.215 0.000 1.132 362 T CB -0.586 68.112 68.868 -0.282 0.000 0.878 362 T HN 0.607 nan 8.240 nan 0.000 0.479 363 E N 0.914 121.008 120.200 -0.177 0.000 2.118 363 E HA -0.056 4.295 4.350 0.002 0.000 0.195 363 E C 2.023 178.397 176.600 -0.377 0.000 0.992 363 E CA 1.415 57.716 56.400 -0.165 0.000 0.804 363 E CB -0.296 29.442 29.700 0.063 0.000 0.741 363 E HN 0.612 nan 8.360 nan 0.000 0.458 364 I N 0.021 120.242 120.570 -0.582 0.000 2.368 364 I HA -0.032 4.139 4.170 0.002 0.000 0.238 364 I C 2.610 178.400 176.117 -0.545 0.000 1.076 364 I CA 0.819 61.588 61.300 -0.884 0.000 1.397 364 I CB -0.611 36.745 38.000 -1.073 0.000 1.141 364 I HN 0.093 nan 8.210 nan 0.000 0.430 365 G N 0.229 108.806 108.800 -0.371 0.000 2.450 365 G HA2 -0.180 3.781 3.960 0.002 0.000 0.220 365 G HA3 -0.180 3.781 3.960 0.002 0.000 0.220 365 G C 1.561 176.361 174.900 -0.168 0.000 1.130 365 G CA 1.665 46.637 45.100 -0.214 0.000 0.760 365 G HN 0.322 nan 8.290 nan 0.000 0.557 366 T N -0.460 113.971 114.554 -0.205 0.000 3.156 366 T HA 0.123 4.474 4.350 0.002 0.000 0.236 366 T C 2.489 177.091 174.700 -0.164 0.000 0.978 366 T CA 0.083 62.082 62.100 -0.168 0.000 1.240 366 T CB 0.107 68.857 68.868 -0.196 0.000 0.951 366 T HN -0.008 nan 8.240 nan 0.000 0.420 367 R N 2.264 122.646 120.500 -0.197 0.000 2.064 367 R HA 0.111 4.452 4.340 0.002 0.000 0.228 367 R C 2.129 178.318 176.300 -0.184 0.000 1.144 367 R CA 1.229 57.221 56.100 -0.179 0.000 0.932 367 R CB -1.262 28.933 30.300 -0.175 0.000 0.833 367 R HN 0.329 nan 8.270 nan 0.000 0.429 368 N N 0.861 119.396 118.700 -0.276 0.000 2.166 368 N HA -0.088 4.653 4.740 0.002 0.000 0.186 368 N C 1.920 177.353 175.510 -0.128 0.000 1.019 368 N CA 1.011 53.891 53.050 -0.282 0.000 0.856 368 N CB -0.140 37.847 38.487 -0.833 0.000 0.993 368 N HN 0.217 nan 8.380 nan 0.000 0.426 369 L N -0.952 120.159 121.223 -0.186 0.000 2.357 369 L HA 0.110 4.451 4.340 0.002 0.000 0.211 369 L C 1.243 178.148 176.870 0.059 0.000 1.075 369 L CA 0.371 55.201 54.840 -0.018 0.000 0.830 369 L CB 0.254 42.281 42.059 -0.054 0.000 0.996 369 L HN 0.128 nan 8.230 nan 0.000 0.467 370 C N -1.417 117.879 119.300 -0.006 0.000 3.070 370 C HA 0.188 4.649 4.460 0.002 0.000 0.280 370 C C 0.677 175.666 174.990 -0.001 0.000 1.264 370 C CA -0.899 58.129 59.018 0.017 0.000 1.690 370 C CB -0.350 27.389 27.740 -0.003 0.000 2.049 370 C HN 0.279 nan 8.230 nan 0.000 0.636 371 D N 2.927 123.299 120.400 -0.047 0.000 2.443 371 D HA 0.062 4.703 4.640 0.002 0.000 0.239 371 D C -1.029 175.268 176.300 -0.005 0.000 1.136 371 D CA -1.412 52.549 54.000 -0.065 0.000 0.879 371 D CB 0.808 41.444 40.800 -0.273 0.000 1.195 371 D HN 0.172 nan 8.370 nan 0.000 0.443 372 P HA -0.167 nan 4.420 nan 0.000 0.216 372 P C 0.715 178.110 177.300 0.159 0.000 1.150 372 P CA 1.408 64.591 63.100 0.139 0.000 0.837 372 P CB -0.015 31.775 31.700 0.150 0.000 0.786 373 H N -2.282 116.797 119.070 0.016 0.000 2.538 373 H HA 0.357 4.914 4.556 0.002 0.000 0.286 373 H C 0.937 176.271 175.328 0.010 0.000 1.035 373 H CA -0.280 55.774 56.048 0.010 0.000 1.169 373 H CB -0.149 29.619 29.762 0.010 0.000 1.417 373 H HN -0.027 nan 8.280 nan 0.000 0.567 374 R N -0.247 120.144 120.500 -0.182 0.000 3.237 374 R HA 0.187 4.528 4.340 0.002 0.000 0.193 374 R C 1.025 177.290 176.300 -0.060 0.000 1.551 374 R CA -0.813 55.211 56.100 -0.127 0.000 0.855 374 R CB -0.826 29.414 30.300 -0.100 0.000 2.062 374 R HN 0.078 nan 8.270 nan 0.000 0.507 375 Y N 1.656 121.961 120.300 0.009 0.000 2.403 375 Y HA -0.154 4.397 4.550 0.002 0.000 0.291 375 Y C 0.849 176.770 175.900 0.036 0.000 1.143 375 Y CA 1.280 59.402 58.100 0.035 0.000 1.257 375 Y CB -0.394 38.123 38.460 0.095 0.000 0.984 375 Y HN 0.506 nan 8.280 nan 0.000 0.550 376 N N 0.820 119.607 118.700 0.146 0.000 2.698 376 N HA -0.241 4.500 4.740 0.002 0.000 0.258 376 N C 0.389 175.982 175.510 0.138 0.000 0.978 376 N CA 0.846 53.964 53.050 0.113 0.000 0.777 376 N CB -1.363 37.172 38.487 0.080 0.000 0.907 376 N HN 0.681 nan 8.380 nan 0.000 0.543 377 I N -3.487 117.182 120.570 0.164 0.000 3.735 377 I HA 0.053 4.224 4.170 0.002 0.000 0.310 377 I C 1.542 177.758 176.117 0.164 0.000 1.270 377 I CA -0.316 61.080 61.300 0.159 0.000 1.207 377 I CB -0.100 38.002 38.000 0.170 0.000 1.013 377 I HN 0.089 nan 8.210 nan 0.000 0.452 378 L N 1.754 123.084 121.223 0.179 0.000 2.043 378 L HA -0.226 4.115 4.340 0.002 0.000 0.212 378 L C 2.536 179.612 176.870 0.344 0.000 1.075 378 L CA 2.096 57.080 54.840 0.240 0.000 0.752 378 L CB -0.875 41.305 42.059 0.202 0.000 0.891 378 L HN 0.509 nan 8.230 nan 0.000 0.432 379 E N -1.250 119.122 120.200 0.286 0.000 2.072 379 E HA -0.190 4.161 4.350 0.002 0.000 0.190 379 E C 1.734 178.357 176.600 0.038 0.000 0.982 379 E CA 0.977 57.470 56.400 0.154 0.000 0.803 379 E CB 0.082 29.822 29.700 0.066 0.000 0.755 379 E HN 0.470 nan 8.360 nan 0.000 0.453 380 D N 0.160 120.592 120.400 0.053 0.000 2.092 380 D HA -0.171 4.470 4.640 0.002 0.000 0.193 380 D C 2.066 178.366 176.300 -0.001 0.000 0.994 380 D CA 1.388 55.392 54.000 0.006 0.000 0.828 380 D CB -0.265 40.549 40.800 0.023 0.000 0.963 380 D HN 0.132 nan 8.370 nan 0.000 0.450 381 V N 1.603 121.570 119.914 0.089 0.000 2.343 381 V HA -0.221 3.900 4.120 0.002 0.000 0.247 381 V C 2.591 178.767 176.094 0.136 0.000 1.051 381 V CA 1.753 64.154 62.300 0.170 0.000 1.036 381 V CB -0.882 31.122 31.823 0.302 0.000 0.654 381 V HN 0.176 nan 8.190 nan 0.000 0.451 382 A N -0.024 122.884 122.820 0.147 0.000 1.933 382 A HA -0.152 4.169 4.320 0.002 0.000 0.218 382 A C 2.390 179.932 177.584 -0.070 0.000 1.175 382 A CA 2.099 54.206 52.037 0.117 0.000 0.628 382 A CB -0.662 18.460 19.000 0.203 0.000 0.814 382 A HN 0.355 nan 8.150 nan 0.000 0.444 383 V N -0.957 118.870 119.914 -0.145 0.000 2.307 383 V HA -0.303 3.818 4.120 0.002 0.000 0.245 383 V C 2.578 178.508 176.094 -0.273 0.000 1.045 383 V CA 2.000 64.177 62.300 -0.206 0.000 1.024 383 V CB -1.156 30.553 31.823 -0.190 0.000 0.651 383 V HN 0.693 nan 8.190 nan 0.000 0.449 384 C N -0.432 118.643 119.300 -0.375 0.000 2.432 384 C HA -0.076 4.385 4.460 0.002 0.000 0.280 384 C C 2.672 177.144 174.990 -0.863 0.000 1.353 384 C CA 0.854 59.415 59.018 -0.762 0.000 1.766 384 C CB -1.039 26.042 27.740 -1.099 0.000 1.924 384 C HN 0.526 nan 8.230 nan 0.000 0.509 385 M N 0.021 119.389 119.600 -0.386 0.000 2.595 385 M HA 0.006 4.487 4.480 0.002 0.000 0.248 385 M C 0.594 176.858 176.300 -0.061 0.000 1.119 385 M CA 0.909 56.181 55.300 -0.047 0.000 1.079 385 M CB -0.258 32.451 32.600 0.183 0.000 1.472 385 M HN 0.242 nan 8.290 nan 0.000 0.501 386 D N 1.545 121.858 120.400 -0.146 0.000 2.716 386 D HA -0.153 4.488 4.640 0.002 0.000 0.239 386 D C -1.025 175.240 176.300 -0.058 0.000 1.125 386 D CA 0.522 54.454 54.000 -0.112 0.000 0.681 386 D CB -1.116 39.628 40.800 -0.094 0.000 1.070 386 D HN 0.288 nan 8.370 nan 0.000 0.432 387 L N -0.128 121.063 121.223 -0.054 0.000 2.387 387 L HA 0.386 4.727 4.340 0.002 0.000 0.266 387 L C 1.034 177.851 176.870 -0.088 0.000 1.059 387 L CA -0.908 53.927 54.840 -0.008 0.000 0.801 387 L CB 0.762 42.879 42.059 0.097 0.000 1.223 387 L HN -0.056 nan 8.230 nan 0.000 0.456 388 D N 0.869 121.252 120.400 -0.029 0.000 2.455 388 D HA 0.001 4.642 4.640 0.002 0.000 0.234 388 D C 0.901 177.079 176.300 -0.204 0.000 1.224 388 D CA -0.058 53.900 54.000 -0.070 0.000 0.999 388 D CB 0.637 41.450 40.800 0.021 0.000 1.072 388 D HN 0.600 nan 8.370 nan 0.000 0.514 389 T N 0.370 114.607 114.554 -0.529 0.000 3.272 389 T HA 0.127 4.478 4.350 0.002 0.000 0.250 389 T C 1.462 175.911 174.700 -0.419 0.000 1.082 389 T CA -0.107 61.319 62.100 -1.123 0.000 0.968 389 T CB 0.081 68.152 68.868 -1.327 0.000 1.015 389 T HN 0.219 nan 8.240 nan 0.000 0.563 390 R N 0.407 120.812 120.500 -0.159 0.000 2.127 390 R HA 0.146 4.487 4.340 0.002 0.000 0.217 390 R C 1.167 177.508 176.300 0.069 0.000 1.074 390 R CA 0.814 56.890 56.100 -0.039 0.000 0.991 390 R CB 0.019 30.301 30.300 -0.030 0.000 0.895 390 R HN 0.411 nan 8.270 nan 0.000 0.450 391 T N -1.350 113.290 114.554 0.143 0.000 2.916 391 T HA 0.146 4.497 4.350 0.002 0.000 0.292 391 T C 1.127 176.007 174.700 0.299 0.000 1.055 391 T CA -0.548 61.661 62.100 0.181 0.000 1.009 391 T CB 1.959 70.894 68.868 0.113 0.000 1.118 391 T HN 0.204 nan 8.240 nan 0.000 0.497 392 T N -0.000 114.665 114.554 0.187 0.000 2.942 392 T HA -0.039 4.312 4.350 0.002 0.000 0.265 392 T C 2.067 176.795 174.700 0.046 0.000 1.062 392 T CA 1.366 63.521 62.100 0.091 0.000 1.139 392 T CB -0.729 68.155 68.868 0.026 0.000 0.883 392 T HN 0.673 nan 8.240 nan 0.000 0.468 393 S N 2.208 117.947 115.700 0.065 0.000 2.595 393 S HA -0.046 4.425 4.470 0.002 0.000 0.235 393 S C 2.021 176.659 174.600 0.064 0.000 0.974 393 S CA 0.721 58.948 58.200 0.046 0.000 0.942 393 S CB -0.893 62.331 63.200 0.041 0.000 0.766 393 S HN 0.736 nan 8.310 nan 0.000 0.536 394 S N 1.431 117.203 115.700 0.119 0.000 2.558 394 S HA 0.263 4.734 4.470 0.002 0.000 0.217 394 S C 0.904 175.577 174.600 0.122 0.000 0.975 394 S CA 0.023 58.307 58.200 0.139 0.000 0.912 394 S CB -0.952 62.374 63.200 0.210 0.000 0.776 394 S HN 0.605 nan 8.310 nan 0.000 0.526 395 L N 1.024 122.276 121.223 0.048 0.000 3.737 395 L HA -0.178 4.163 4.340 0.002 0.000 0.418 395 L C 1.625 178.490 176.870 -0.008 0.000 1.216 395 L CA 0.686 55.500 54.840 -0.043 0.000 0.915 395 L CB -2.390 39.662 42.059 -0.013 0.000 1.834 395 L HN 0.735 nan 8.230 nan 0.000 0.943 396 W N -0.231 121.083 121.300 0.023 0.000 2.374 396 W HA -0.121 4.540 4.660 0.001 0.000 0.288 396 W C 1.715 178.255 176.519 0.035 0.000 1.218 396 W CA 1.175 58.537 57.345 0.029 0.000 1.245 396 W CB -0.633 28.841 29.460 0.022 0.000 1.126 396 W HN 0.296 nan 8.180 nan 0.000 0.545 397 K N 1.143 121.139 120.400 -0.674 0.000 2.025 397 K HA -0.150 4.171 4.320 0.002 0.000 0.207 397 K C 1.547 178.024 176.600 -0.204 0.000 1.049 397 K CA 2.307 58.241 56.287 -0.588 0.000 0.933 397 K CB -0.366 31.632 32.500 -0.837 0.000 0.714 397 K HN 0.012 nan 8.250 nan 0.000 0.438 398 D N 0.739 121.032 120.400 -0.178 0.000 2.117 398 D HA -0.133 4.508 4.640 0.002 0.000 0.197 398 D C 1.666 177.962 176.300 -0.006 0.000 0.987 398 D CA 1.249 55.201 54.000 -0.081 0.000 0.829 398 D CB 0.023 40.780 40.800 -0.071 0.000 0.961 398 D HN 0.123 nan 8.370 nan 0.000 0.460 399 K N 0.352 120.773 120.400 0.035 0.000 2.057 399 K HA 0.013 4.334 4.320 0.002 0.000 0.206 399 K C 2.163 178.837 176.600 0.122 0.000 1.050 399 K CA 1.143 57.483 56.287 0.088 0.000 0.935 399 K CB -0.105 32.469 32.500 0.122 0.000 0.715 399 K HN 0.094 nan 8.250 nan 0.000 0.439 400 A N 1.248 124.162 122.820 0.158 0.000 1.968 400 A HA -0.004 4.317 4.320 0.002 0.000 0.217 400 A C 2.298 179.976 177.584 0.157 0.000 1.169 400 A CA 1.485 53.645 52.037 0.204 0.000 0.638 400 A CB -0.481 18.685 19.000 0.277 0.000 0.812 400 A HN 0.311 nan 8.150 nan 0.000 0.446 401 A N -0.451 122.420 122.820 0.084 0.000 1.930 401 A HA 0.010 4.331 4.320 0.002 0.000 0.217 401 A C 2.166 179.773 177.584 0.039 0.000 1.175 401 A CA 1.685 53.748 52.037 0.042 0.000 0.627 401 A CB -0.816 18.171 19.000 -0.022 0.000 0.815 401 A HN 0.352 nan 8.150 nan 0.000 0.443 402 V N 0.361 120.304 119.914 0.049 0.000 2.407 402 V HA -0.185 3.936 4.120 0.002 0.000 0.248 402 V C 2.455 178.591 176.094 0.070 0.000 1.055 402 V CA 2.057 64.389 62.300 0.054 0.000 1.049 402 V CB -0.623 31.237 31.823 0.063 0.000 0.662 402 V HN 0.512 nan 8.190 nan 0.000 0.455 403 E N -0.161 120.107 120.200 0.113 0.000 2.152 403 E HA -0.037 4.314 4.350 0.002 0.000 0.192 403 E C 2.111 178.755 176.600 0.074 0.000 0.983 403 E CA 0.939 57.435 56.400 0.162 0.000 0.818 403 E CB -0.138 29.672 29.700 0.183 0.000 0.758 403 E HN 0.578 nan 8.360 nan 0.000 0.467 404 I N 1.119 121.746 120.570 0.096 0.000 2.353 404 I HA -0.233 3.938 4.170 0.002 0.000 0.248 404 I C 1.656 177.750 176.117 -0.039 0.000 1.119 404 I CA 0.867 62.211 61.300 0.074 0.000 1.417 404 I CB -0.264 37.855 38.000 0.197 0.000 1.078 404 I HN 0.021 nan 8.210 nan 0.000 0.421 405 N N 0.795 119.477 118.700 -0.029 0.000 2.188 405 N HA -0.171 4.570 4.740 0.002 0.000 0.184 405 N C 1.717 177.189 175.510 -0.063 0.000 1.018 405 N CA 0.874 53.891 53.050 -0.054 0.000 0.858 405 N CB -0.176 38.292 38.487 -0.031 0.000 0.989 405 N HN 0.148 nan 8.380 nan 0.000 0.426 406 L N 0.646 121.822 121.223 -0.077 0.000 2.046 406 L HA -0.018 4.323 4.340 0.002 0.000 0.208 406 L C 1.976 178.715 176.870 -0.219 0.000 1.077 406 L CA 1.369 56.126 54.840 -0.139 0.000 0.747 406 L CB -0.687 41.257 42.059 -0.191 0.000 0.896 406 L HN 0.159 nan 8.230 nan 0.000 0.432 407 A N -1.388 121.244 122.820 -0.312 0.000 1.930 407 A HA -0.114 4.207 4.320 0.002 0.000 0.217 407 A C 2.223 179.734 177.584 -0.121 0.000 1.175 407 A CA 1.765 53.585 52.037 -0.363 0.000 0.627 407 A CB -0.943 17.578 19.000 -0.799 0.000 0.815 407 A HN 0.297 nan 8.150 nan 0.000 0.443 408 V N 0.118 119.984 119.914 -0.080 0.000 2.270 408 V HA -0.259 3.862 4.120 0.002 0.000 0.245 408 V C 2.564 178.701 176.094 0.071 0.000 1.043 408 V CA 1.954 64.261 62.300 0.012 0.000 1.014 408 V CB -0.872 30.882 31.823 -0.115 0.000 0.645 408 V HN 0.568 nan 8.190 nan 0.000 0.447 409 L N -0.383 120.837 121.223 -0.004 0.000 1.970 409 L HA -0.266 4.075 4.340 0.002 0.000 0.212 409 L C 2.666 179.573 176.870 0.061 0.000 1.071 409 L CA 2.443 57.297 54.840 0.023 0.000 0.751 409 L CB -0.953 41.106 42.059 0.001 0.000 0.889 409 L HN 0.470 nan 8.230 nan 0.000 0.432 410 H N -0.270 118.761 119.070 -0.065 0.000 2.319 410 H HA -0.173 4.384 4.556 0.002 0.000 0.297 410 H C 2.341 177.647 175.328 -0.037 0.000 1.097 410 H CA 2.115 58.112 56.048 -0.085 0.000 1.285 410 H CB -0.084 29.565 29.762 -0.189 0.000 1.368 410 H HN 0.175 nan 8.280 nan 0.000 0.495 411 S N -0.590 115.037 115.700 -0.122 0.000 2.368 411 S HA -0.115 4.356 4.470 0.002 0.000 0.225 411 S C 2.006 176.538 174.600 -0.113 0.000 1.030 411 S CA 1.263 59.374 58.200 -0.148 0.000 0.999 411 S CB -0.491 62.713 63.200 0.008 0.000 0.844 411 S HN 0.381 nan 8.310 nan 0.000 0.459 412 F N 1.820 121.701 119.950 -0.115 0.000 2.146 412 F HA -0.124 4.404 4.527 0.002 0.000 0.298 412 F C 2.761 178.504 175.800 -0.096 0.000 1.096 412 F CA 1.194 59.151 58.000 -0.071 0.000 1.275 412 F CB -0.290 38.693 39.000 -0.028 0.000 1.008 412 F HN 0.192 nan 8.300 nan 0.000 0.480 413 Q N -0.286 119.541 119.800 0.046 0.000 2.050 413 Q HA -0.228 4.113 4.340 0.002 0.000 0.202 413 Q C 2.179 178.114 176.000 -0.109 0.000 0.980 413 Q CA 1.576 57.361 55.803 -0.031 0.000 0.840 413 Q CB -0.448 28.269 28.738 -0.035 0.000 0.898 413 Q HN 0.355 nan 8.270 nan 0.000 0.424 414 L N 0.394 121.488 121.223 -0.215 0.000 2.042 414 L HA -0.134 4.207 4.340 0.002 0.000 0.210 414 L C 1.905 178.678 176.870 -0.162 0.000 1.076 414 L CA 1.991 56.692 54.840 -0.233 0.000 0.749 414 L CB -0.458 41.363 42.059 -0.397 0.000 0.893 414 L HN 0.136 nan 8.230 nan 0.000 0.432 415 A N -1.576 121.141 122.820 -0.173 0.000 2.238 415 A HA 0.032 4.353 4.320 0.002 0.000 0.208 415 A C 0.799 178.311 177.584 -0.121 0.000 1.177 415 A CA 0.102 52.044 52.037 -0.158 0.000 0.804 415 A CB -0.315 18.549 19.000 -0.227 0.000 0.823 415 A HN 0.409 nan 8.150 nan 0.000 0.482 416 K N -1.010 119.333 120.400 -0.095 0.000 3.125 416 K HA -0.126 4.195 4.320 0.002 0.000 0.268 416 K C -0.631 175.938 176.600 -0.051 0.000 1.078 416 K CA 0.798 57.045 56.287 -0.065 0.000 0.775 416 K CB -2.588 29.875 32.500 -0.062 0.000 1.253 416 K HN 0.303 nan 8.250 nan 0.000 0.486 417 V N 0.981 120.878 119.914 -0.027 0.000 2.513 417 V HA 0.215 4.336 4.120 0.002 0.000 0.299 417 V C 0.852 177.040 176.094 0.157 0.000 1.035 417 V CA -0.730 61.596 62.300 0.042 0.000 0.889 417 V CB 2.053 33.853 31.823 -0.039 0.000 0.988 417 V HN 0.267 nan 8.190 nan 0.000 0.440 418 T N 6.002 120.604 114.554 0.079 0.000 2.934 418 T HA 0.459 4.810 4.350 0.002 0.000 0.306 418 T C -0.250 174.500 174.700 0.083 0.000 1.042 418 T CA 0.749 62.812 62.100 -0.062 0.000 1.145 418 T CB 0.157 68.822 68.868 -0.337 0.000 0.982 418 T HN 0.576 nan 8.240 nan 0.000 0.544 419 I N 1.981 122.536 120.570 -0.025 0.000 2.842 419 I HA 0.542 4.713 4.170 0.002 0.000 0.296 419 I C -1.680 174.470 176.117 0.056 0.000 1.538 419 I CA -0.894 60.440 61.300 0.057 0.000 0.994 419 I CB 1.848 39.814 38.000 -0.057 0.000 1.372 419 I HN 0.455 nan 8.210 nan 0.000 0.478 420 V N 5.165 125.174 119.914 0.158 0.000 2.709 420 V HA 0.484 4.605 4.120 0.002 0.000 0.308 420 V C -1.150 175.003 176.094 0.098 0.000 1.062 420 V CA -0.281 62.110 62.300 0.152 0.000 0.901 420 V CB 2.207 34.208 31.823 0.297 0.000 1.003 420 V HN 0.858 nan 8.190 nan 0.000 0.425 421 D N 4.021 124.456 120.400 0.058 0.000 2.354 421 D HA 0.174 4.815 4.640 0.002 0.000 0.247 421 D C 1.280 177.582 176.300 0.002 0.000 1.138 421 D CA 0.176 54.193 54.000 0.028 0.000 0.958 421 D CB 0.483 41.269 40.800 -0.023 0.000 1.144 421 D HN 0.728 nan 8.370 nan 0.000 0.458 422 H N -0.057 118.953 119.070 -0.099 0.000 2.489 422 H HA -0.136 4.421 4.556 0.002 0.000 0.293 422 H C 0.894 176.121 175.328 -0.168 0.000 1.066 422 H CA 1.290 57.241 56.048 -0.162 0.000 1.305 422 H CB -0.494 29.118 29.762 -0.250 0.000 1.386 422 H HN 0.519 nan 8.280 nan 0.000 0.551 423 H N 1.091 119.966 119.070 -0.325 0.000 2.317 423 H HA 0.170 4.727 4.556 0.002 0.000 0.304 423 H C 2.539 177.845 175.328 -0.036 0.000 1.067 423 H CA 1.293 57.245 56.048 -0.161 0.000 1.352 423 H CB -0.281 29.357 29.762 -0.207 0.000 1.398 423 H HN 0.497 nan 8.280 nan 0.000 0.510 424 A N 1.465 124.339 122.820 0.090 0.000 1.902 424 A HA -0.082 4.239 4.320 0.002 0.000 0.217 424 A C 2.686 180.338 177.584 0.113 0.000 1.181 424 A CA 1.737 53.829 52.037 0.092 0.000 0.623 424 A CB -0.833 18.213 19.000 0.076 0.000 0.818 424 A HN 0.426 nan 8.150 nan 0.000 0.443 425 A N -0.157 122.728 122.820 0.108 0.000 1.883 425 A HA -0.142 4.179 4.320 0.002 0.000 0.217 425 A C 2.447 180.123 177.584 0.153 0.000 1.186 425 A CA 2.694 54.811 52.037 0.134 0.000 0.624 425 A CB -1.445 17.622 19.000 0.111 0.000 0.822 425 A HN 0.780 nan 8.150 nan 0.000 0.444 426 T N -2.946 111.686 114.554 0.130 0.000 2.951 426 T HA -0.025 4.326 4.350 0.002 0.000 0.268 426 T C 1.661 176.489 174.700 0.214 0.000 1.073 426 T CA 1.222 63.428 62.100 0.176 0.000 1.134 426 T CB -0.529 68.413 68.868 0.124 0.000 0.884 426 T HN 0.050 nan 8.240 nan 0.000 0.479 427 V N 2.677 122.691 119.914 0.166 0.000 2.307 427 V HA -0.148 3.973 4.120 0.002 0.000 0.245 427 V C 3.185 179.368 176.094 0.148 0.000 1.045 427 V CA 2.065 64.452 62.300 0.145 0.000 1.024 427 V CB -0.838 31.053 31.823 0.113 0.000 0.651 427 V HN 0.773 nan 8.190 nan 0.000 0.449 428 S N -0.355 115.441 115.700 0.161 0.000 2.423 428 S HA -0.191 4.280 4.470 0.002 0.000 0.231 428 S C 1.931 176.654 174.600 0.206 0.000 1.014 428 S CA 1.341 59.637 58.200 0.160 0.000 0.965 428 S CB -0.631 62.664 63.200 0.160 0.000 0.785 428 S HN 0.527 nan 8.310 nan 0.000 0.495 429 F N 1.861 121.872 119.950 0.102 0.000 2.325 429 F HA 0.202 4.730 4.527 0.002 0.000 0.299 429 F C 2.099 177.986 175.800 0.146 0.000 1.090 429 F CA 0.896 58.971 58.000 0.125 0.000 1.392 429 F CB -0.288 38.766 39.000 0.091 0.000 1.053 429 F HN 0.131 nan 8.300 nan 0.000 0.521 430 M N 0.326 119.981 119.600 0.091 0.000 2.175 430 M HA -0.174 4.307 4.480 0.002 0.000 0.264 430 M C 2.052 178.315 176.300 -0.061 0.000 1.063 430 M CA 1.516 56.814 55.300 -0.003 0.000 1.119 430 M CB -1.124 31.528 32.600 0.088 0.000 1.377 430 M HN 0.121 nan 8.290 nan 0.000 0.415 431 K N -1.259 119.140 120.400 -0.001 0.000 2.097 431 K HA -0.204 4.117 4.320 0.002 0.000 0.205 431 K C 1.985 178.563 176.600 -0.037 0.000 1.050 431 K CA 1.381 57.666 56.287 -0.003 0.000 0.938 431 K CB -0.413 32.111 32.500 0.041 0.000 0.718 431 K HN 0.325 nan 8.250 nan 0.000 0.442 432 H N 1.256 120.238 119.070 -0.147 0.000 2.387 432 H HA -0.026 4.531 4.556 0.002 0.000 0.299 432 H C 1.797 176.965 175.328 -0.267 0.000 1.090 432 H CA 1.377 57.317 56.048 -0.179 0.000 1.332 432 H CB -0.147 29.495 29.762 -0.200 0.000 1.386 432 H HN 0.036 nan 8.280 nan 0.000 0.516 433 L N -0.260 120.660 121.223 -0.506 0.000 2.046 433 L HA -0.156 4.185 4.340 0.002 0.000 0.208 433 L C 2.339 179.042 176.870 -0.279 0.000 1.077 433 L CA 1.668 56.235 54.840 -0.454 0.000 0.747 433 L CB -0.467 41.376 42.059 -0.361 0.000 0.896 433 L HN 0.353 nan 8.230 nan 0.000 0.432 434 D N 0.173 120.458 120.400 -0.191 0.000 2.084 434 D HA -0.192 4.449 4.640 0.002 0.000 0.194 434 D C 1.904 178.129 176.300 -0.125 0.000 0.990 434 D CA 1.282 55.210 54.000 -0.119 0.000 0.826 434 D CB -0.042 40.715 40.800 -0.072 0.000 0.971 434 D HN 0.122 nan 8.370 nan 0.000 0.453 435 N N 0.579 119.197 118.700 -0.137 0.000 2.094 435 N HA -0.145 4.596 4.740 0.002 0.000 0.191 435 N C 1.622 177.050 175.510 -0.135 0.000 1.023 435 N CA 0.927 53.916 53.050 -0.102 0.000 0.857 435 N CB -0.255 38.201 38.487 -0.051 0.000 1.013 435 N HN 0.364 nan 8.380 nan 0.000 0.426 436 E N 0.427 120.465 120.200 -0.269 0.000 2.152 436 E HA -0.119 4.232 4.350 0.002 0.000 0.192 436 E C 1.868 178.378 176.600 -0.150 0.000 0.983 436 E CA 0.422 56.672 56.400 -0.250 0.000 0.818 436 E CB -0.120 29.330 29.700 -0.416 0.000 0.758 436 E HN 0.316 nan 8.360 nan 0.000 0.467 437 Q N 1.593 121.311 119.800 -0.137 0.000 2.096 437 Q HA -0.141 4.200 4.340 0.002 0.000 0.204 437 Q C 1.775 177.736 176.000 -0.064 0.000 0.982 437 Q CA 1.758 57.511 55.803 -0.083 0.000 0.850 437 Q CB 0.022 28.717 28.738 -0.071 0.000 0.901 437 Q HN 0.146 nan 8.270 nan 0.000 0.422 438 K N -0.817 119.546 120.400 -0.062 0.000 2.031 438 K HA 0.020 4.341 4.320 0.002 0.000 0.205 438 K C 2.071 178.648 176.600 -0.038 0.000 1.049 438 K CA 1.061 57.321 56.287 -0.044 0.000 0.939 438 K CB -0.238 32.240 32.500 -0.036 0.000 0.717 438 K HN 0.223 nan 8.250 nan 0.000 0.438 439 A N 1.419 124.217 122.820 -0.038 0.000 1.898 439 A HA -0.091 4.230 4.320 0.002 0.000 0.216 439 A C 1.845 179.411 177.584 -0.030 0.000 1.181 439 A CA 1.271 53.297 52.037 -0.019 0.000 0.620 439 A CB -0.082 18.923 19.000 0.009 0.000 0.819 439 A HN 0.183 nan 8.150 nan 0.000 0.442 440 R N -2.825 117.644 120.500 -0.050 0.000 2.521 440 R HA 0.274 4.615 4.340 0.002 0.000 0.289 440 R C 0.841 177.110 176.300 -0.053 0.000 0.936 440 R CA 0.533 56.605 56.100 -0.047 0.000 1.089 440 R CB 0.714 30.984 30.300 -0.050 0.000 1.348 440 R HN 0.706 nan 8.270 nan 0.000 0.536 441 G N 0.889 109.655 108.800 -0.058 0.000 2.132 441 G HA2 -0.149 3.812 3.960 0.002 0.000 0.228 441 G HA3 -0.149 3.812 3.960 0.002 0.000 0.228 441 G C 0.173 175.052 174.900 -0.034 0.000 1.000 441 G CA -0.061 45.001 45.100 -0.063 0.000 0.693 441 G HN 0.717 nan 8.290 nan 0.000 0.515 442 G N -2.371 106.419 108.800 -0.017 0.000 2.336 442 G HA2 0.539 4.500 3.960 0.002 0.000 0.300 442 G HA3 0.539 4.500 3.960 0.002 0.000 0.300 442 G C -0.842 174.076 174.900 0.029 0.000 1.375 442 G CA 0.330 45.453 45.100 0.038 0.000 0.885 442 G HN 1.902 nan 8.290 nan 0.000 0.599 443 C N 2.280 121.617 119.300 0.063 0.000 2.727 443 C HA 0.732 5.193 4.460 0.002 0.000 0.369 443 C C -2.487 172.484 174.990 -0.031 0.000 1.067 443 C CA -1.260 57.750 59.018 -0.013 0.000 1.273 443 C CB 1.243 28.916 27.740 -0.110 0.000 1.778 443 C HN 0.708 nan 8.230 nan 0.000 0.467 444 P HA 0.410 nan 4.420 nan 0.000 0.271 444 P C -0.681 176.506 177.300 -0.188 0.000 1.226 444 P CA 0.553 63.273 63.100 -0.633 0.000 0.765 444 P CB 1.105 32.149 31.700 -1.093 0.000 0.835 445 A N 2.588 125.367 122.820 -0.068 0.000 2.517 445 A HA 0.392 4.713 4.320 0.002 0.000 0.297 445 A C -1.148 176.491 177.584 0.091 0.000 1.050 445 A CA -0.580 51.508 52.037 0.086 0.000 0.694 445 A CB 1.291 20.471 19.000 0.300 0.000 1.277 445 A HN 0.449 nan 8.150 nan 0.000 0.400 446 D N 1.989 122.433 120.400 0.073 0.000 2.428 446 D HA 0.149 4.790 4.640 0.002 0.000 0.221 446 D C 0.843 177.285 176.300 0.236 0.000 1.123 446 D CA -0.444 53.636 54.000 0.133 0.000 0.869 446 D CB 0.415 41.233 40.800 0.031 0.000 1.032 446 D HN 0.590 nan 8.370 nan 0.000 0.506 447 W N 4.408 125.759 121.300 0.086 0.000 2.302 447 W HA -0.320 4.341 4.660 0.002 0.000 0.320 447 W C 2.007 178.574 176.519 0.079 0.000 1.241 447 W CA 2.605 59.989 57.345 0.065 0.000 1.264 447 W CB -0.103 29.370 29.460 0.022 0.000 1.154 447 W HN 0.569 nan 8.180 nan 0.000 0.483 448 A N -0.986 122.118 122.820 0.473 0.000 1.948 448 A HA -0.237 4.084 4.320 0.002 0.000 0.220 448 A C 1.564 179.194 177.584 0.076 0.000 1.177 448 A CA 1.833 54.048 52.037 0.297 0.000 0.636 448 A CB -1.448 17.764 19.000 0.354 0.000 0.815 448 A HN 0.548 nan 8.150 nan 0.000 0.449 449 W N -0.750 120.530 121.300 -0.034 0.000 2.640 449 W HA 0.149 4.810 4.660 0.002 0.000 0.268 449 W C 1.874 178.287 176.519 -0.177 0.000 1.263 449 W CA 0.033 57.331 57.345 -0.078 0.000 1.344 449 W CB -0.101 29.338 29.460 -0.034 0.000 1.093 449 W HN 0.168 nan 8.180 nan 0.000 0.603 450 I N -0.435 120.105 120.570 -0.050 0.000 2.333 450 I HA -0.052 4.119 4.170 0.002 0.000 0.246 450 I C 0.732 176.660 176.117 -0.315 0.000 1.106 450 I CA 0.685 61.831 61.300 -0.258 0.000 1.411 450 I CB -1.447 36.352 38.000 -0.334 0.000 1.082 450 I HN -0.410 nan 8.210 nan 0.000 0.420 451 V N 3.657 123.293 119.914 -0.464 0.000 2.637 451 V HA 0.097 4.218 4.120 0.002 0.000 0.296 451 V C -1.955 173.961 176.094 -0.296 0.000 1.046 451 V CA -1.046 60.972 62.300 -0.470 0.000 1.066 451 V CB 0.273 31.580 31.823 -0.860 0.000 0.968 451 V HN 0.122 nan 8.190 nan 0.000 0.483 452 P HA 0.147 nan 4.420 nan 0.000 0.269 452 P C -1.827 175.341 177.300 -0.219 0.000 1.215 452 P CA -1.177 61.798 63.100 -0.208 0.000 0.780 452 P CB 0.059 31.642 31.700 -0.196 0.000 0.898 453 P HA -0.034 nan 4.420 nan 0.000 0.226 453 P C 0.215 177.403 177.300 -0.187 0.000 1.153 453 P CA 1.271 64.251 63.100 -0.200 0.000 0.777 453 P CB 0.035 31.612 31.700 -0.205 0.000 0.794 454 I N -6.903 113.519 120.570 -0.246 0.000 2.934 454 I HA 0.454 4.625 4.170 0.002 0.000 0.306 454 I C 0.061 176.060 176.117 -0.195 0.000 1.110 454 I CA -1.293 59.880 61.300 -0.212 0.000 1.019 454 I CB 1.932 39.785 38.000 -0.245 0.000 1.227 454 I HN -0.414 nan 8.210 nan 0.000 0.434 455 S N 2.006 117.644 115.700 -0.103 0.000 3.533 455 S HA -0.207 4.264 4.470 0.002 0.000 0.347 455 S C 1.402 175.962 174.600 -0.067 0.000 1.101 455 S CA 0.850 59.028 58.200 -0.038 0.000 1.009 455 S CB -1.704 61.550 63.200 0.091 0.000 0.916 455 S HN 1.273 nan 8.310 nan 0.000 0.496 456 G N 2.424 111.154 108.800 -0.117 0.000 2.764 456 G HA2 -0.357 3.604 3.960 0.002 0.000 0.219 456 G HA3 -0.357 3.604 3.960 0.002 0.000 0.219 456 G C 1.426 176.170 174.900 -0.259 0.000 1.259 456 G CA 1.680 46.713 45.100 -0.112 0.000 0.793 456 G HN 1.355 nan 8.290 nan 0.000 0.633 457 S N 0.354 115.587 115.700 -0.780 0.000 2.595 457 S HA 0.179 4.650 4.470 0.002 0.000 0.235 457 S C 1.992 176.500 174.600 -0.153 0.000 0.974 457 S CA 0.598 58.202 58.200 -0.993 0.000 0.942 457 S CB -0.182 62.211 63.200 -1.344 0.000 0.766 457 S HN 0.330 nan 8.310 nan 0.000 0.536 458 L N 1.858 123.054 121.223 -0.044 0.000 2.554 458 L HA 0.143 4.484 4.340 0.002 0.000 0.226 458 L C 1.153 178.149 176.870 0.209 0.000 1.137 458 L CA 0.408 55.317 54.840 0.115 0.000 0.863 458 L CB -0.833 41.323 42.059 0.161 0.000 0.985 458 L HN 0.495 nan 8.230 nan 0.000 0.451 459 T N -4.529 110.133 114.554 0.180 0.000 2.945 459 T HA 0.329 4.680 4.350 0.002 0.000 0.286 459 T C -1.703 173.165 174.700 0.281 0.000 1.025 459 T CA -1.955 60.276 62.100 0.218 0.000 1.039 459 T CB 1.996 70.945 68.868 0.135 0.000 1.068 459 T HN -0.220 nan 8.240 nan 0.000 0.497 460 P HA -0.112 nan 4.420 nan 0.000 0.217 460 P C 1.897 179.396 177.300 0.331 0.000 1.150 460 P CA 1.327 64.613 63.100 0.310 0.000 0.832 460 P CB -0.396 31.436 31.700 0.221 0.000 0.787 461 V N -2.947 117.119 119.914 0.253 0.000 2.392 461 V HA -0.251 3.870 4.120 0.002 0.000 0.249 461 V C 2.451 178.662 176.094 0.196 0.000 1.059 461 V CA 1.612 64.042 62.300 0.217 0.000 1.051 461 V CB -2.370 29.523 31.823 0.116 0.000 0.658 461 V HN -0.099 nan 8.190 nan 0.000 0.455 462 F N 1.938 121.877 119.950 -0.018 0.000 2.091 462 F HA -0.237 4.291 4.527 0.001 0.000 0.299 462 F C 2.521 178.469 175.800 0.247 0.000 1.103 462 F CA 2.470 60.464 58.000 -0.009 0.000 1.228 462 F CB -0.422 38.454 39.000 -0.207 0.000 0.984 462 F HN 0.268 nan 8.300 nan 0.000 0.477 463 H N -0.745 118.675 119.070 0.583 0.000 2.553 463 H HA 0.062 4.619 4.556 0.002 0.000 0.269 463 H C 0.227 175.806 175.328 0.418 0.000 1.011 463 H CA 0.419 56.759 56.048 0.486 0.000 1.150 463 H CB -0.375 29.647 29.762 0.433 0.000 1.339 463 H HN 0.289 nan 8.280 nan 0.000 0.604 464 Q N 1.778 121.855 119.800 0.461 0.000 2.325 464 Q HA 0.176 4.517 4.340 0.002 0.000 0.262 464 Q C -0.602 175.627 176.000 0.383 0.000 0.968 464 Q CA -0.507 55.517 55.803 0.369 0.000 0.877 464 Q CB 0.957 29.878 28.738 0.305 0.000 1.253 464 Q HN 0.233 nan 8.270 nan 0.000 0.448 465 E N 3.297 123.667 120.200 0.283 0.000 2.390 465 E HA 0.320 4.671 4.350 0.002 0.000 0.261 465 E C -0.463 176.270 176.600 0.220 0.000 1.076 465 E CA 0.213 56.738 56.400 0.208 0.000 0.905 465 E CB 0.849 30.651 29.700 0.169 0.000 0.984 465 E HN 0.598 nan 8.360 nan 0.000 0.427 466 M N 0.956 120.681 119.600 0.208 0.000 2.531 466 M HA 0.373 4.854 4.480 0.002 0.000 0.286 466 M C -1.300 175.106 176.300 0.178 0.000 1.232 466 M CA -0.993 54.439 55.300 0.220 0.000 0.877 466 M CB 2.422 35.206 32.600 0.305 0.000 1.726 466 M HN 0.138 nan 8.290 nan 0.000 0.463 467 V N 1.750 121.780 119.914 0.193 0.000 2.417 467 V HA 0.465 4.586 4.120 0.002 0.000 0.291 467 V C -0.725 175.487 176.094 0.197 0.000 1.024 467 V CA -0.709 61.736 62.300 0.243 0.000 0.861 467 V CB 1.562 33.599 31.823 0.357 0.000 0.985 467 V HN 0.804 nan 8.190 nan 0.000 0.436 468 N N 3.928 122.734 118.700 0.178 0.000 2.399 468 N HA 0.705 5.446 4.740 0.002 0.000 0.295 468 N C -1.214 174.387 175.510 0.151 0.000 1.048 468 N CA -0.379 52.691 53.050 0.034 0.000 0.886 468 N CB 1.341 39.857 38.487 0.049 0.000 1.185 468 N HN 0.679 nan 8.380 nan 0.000 0.487 469 Y N 0.067 120.386 120.300 0.031 0.000 2.687 469 Y HA 0.473 5.024 4.550 0.002 0.000 0.338 469 Y C -1.356 174.547 175.900 0.004 0.000 1.189 469 Y CA -1.195 56.917 58.100 0.020 0.000 1.097 469 Y CB 0.505 38.983 38.460 0.029 0.000 1.342 469 Y HN 0.240 nan 8.280 nan 0.000 0.461 470 I N 3.791 124.458 120.570 0.162 0.000 2.342 470 I HA 0.428 4.599 4.170 0.002 0.000 0.291 470 I C -0.503 175.685 176.117 0.118 0.000 1.010 470 I CA -0.421 60.921 61.300 0.070 0.000 1.308 470 I CB 0.963 38.985 38.000 0.037 0.000 1.400 470 I HN 0.480 nan 8.210 nan 0.000 0.488 471 L N 4.715 125.975 121.223 0.061 0.000 2.319 471 L HA 0.568 4.909 4.340 0.002 0.000 0.267 471 L C -0.131 176.741 176.870 0.004 0.000 1.011 471 L CA -0.585 54.294 54.840 0.065 0.000 0.818 471 L CB 2.209 44.309 42.059 0.070 0.000 1.316 471 L HN 0.507 nan 8.230 nan 0.000 0.432 472 S N 0.834 116.543 115.700 0.016 0.000 2.513 472 S HA 0.634 5.106 4.470 0.002 0.000 0.299 472 S C -2.561 172.053 174.600 0.023 0.000 1.087 472 S CA -1.398 56.798 58.200 -0.007 0.000 1.012 472 S CB 1.908 65.117 63.200 0.016 0.000 1.044 472 S HN 0.224 nan 8.310 nan 0.000 0.485 473 P HA 0.412 nan 4.420 nan 0.000 0.270 473 P C -1.336 175.847 177.300 -0.194 0.000 1.221 473 P CA -0.057 62.954 63.100 -0.148 0.000 0.788 473 P CB 0.445 32.015 31.700 -0.217 0.000 0.904 474 A N 0.625 123.281 122.820 -0.274 0.000 2.608 474 A HA 0.645 4.966 4.320 0.002 0.000 0.292 474 A C -1.680 175.679 177.584 -0.374 0.000 1.066 474 A CA -0.490 51.389 52.037 -0.264 0.000 0.676 474 A CB 0.642 19.561 19.000 -0.135 0.000 1.277 474 A HN 0.321 nan 8.150 nan 0.000 0.413 475 F N 0.885 120.753 119.950 -0.137 0.000 2.420 475 F HA 0.700 5.228 4.527 0.002 0.000 0.342 475 F C 0.916 176.600 175.800 -0.192 0.000 1.113 475 F CA 0.125 58.044 58.000 -0.136 0.000 1.059 475 F CB 1.868 40.762 39.000 -0.176 0.000 1.128 475 F HN 0.569 nan 8.300 nan 0.000 0.475 476 R N 1.626 122.135 120.500 0.015 0.000 2.837 476 R HA 0.464 4.805 4.340 0.002 0.000 0.271 476 R C -1.533 174.714 176.300 -0.089 0.000 0.993 476 R CA -1.128 54.906 56.100 -0.112 0.000 0.931 476 R CB 1.746 32.019 30.300 -0.044 0.000 1.206 476 R HN 0.413 nan 8.270 nan 0.000 0.474 477 Y N 1.366 121.686 120.300 0.033 0.000 2.326 477 Y HA 0.163 4.714 4.550 0.002 0.000 0.333 477 Y C 0.557 176.457 175.900 -0.000 0.000 1.240 477 Y CA -0.041 58.070 58.100 0.018 0.000 1.365 477 Y CB 0.825 39.284 38.460 -0.001 0.000 1.289 477 Y HN 0.434 nan 8.280 nan 0.000 0.548 478 Q N 1.620 121.514 119.800 0.156 0.000 2.416 478 Q HA 0.629 4.970 4.340 0.002 0.000 0.281 478 Q C -3.134 172.845 176.000 -0.035 0.000 1.067 478 Q CA -2.463 53.366 55.803 0.044 0.000 0.809 478 Q CB 2.185 30.939 28.738 0.027 0.000 1.418 478 Q HN 0.275 nan 8.270 nan 0.000 0.411 479 P HA 0.029 nan 4.420 nan 0.000 0.269 479 P C -1.017 176.088 177.300 -0.326 0.000 1.211 479 P CA 0.055 63.042 63.100 -0.189 0.000 0.781 479 P CB 0.354 31.953 31.700 -0.169 0.000 0.877 480 D N 2.386 122.467 120.400 -0.532 0.000 2.348 480 D HA 0.048 4.689 4.640 0.002 0.000 0.253 480 D C -1.026 174.678 176.300 -0.993 0.000 1.161 480 D CA -1.410 51.994 54.000 -0.992 0.000 0.876 480 D CB 0.278 40.131 40.800 -1.579 0.000 1.160 480 D HN 0.276 nan 8.370 nan 0.000 0.459 481 P HA -0.107 nan 4.420 nan 0.000 0.223 481 P C 0.143 177.097 177.300 -0.576 0.000 1.144 481 P CA 0.910 63.623 63.100 -0.644 0.000 0.783 481 P CB 0.103 31.428 31.700 -0.625 0.000 0.771 482 W N 0.000 120.874 121.300 -0.709 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.084 57.345 -0.436 0.000 1.226 482 W CB 0.000 29.130 29.460 -0.550 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535