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 3nle_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLX XXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ 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 0.000 176.336 176.600 -0.440 0.000 0.988 69 K CA 0.000 56.050 56.287 -0.395 0.000 0.838 69 K CB 0.000 32.179 32.500 -0.535 0.000 1.064 70 F N 4.355 124.316 119.950 0.017 0.000 2.385 70 F HA 0.378 4.906 4.527 0.001 0.000 0.360 70 F C -2.111 173.783 175.800 0.157 0.000 1.122 70 F CA -2.380 55.656 58.000 0.059 0.000 1.090 70 F CB 0.609 39.636 39.000 0.044 0.000 1.150 70 F HN -0.013 nan 8.300 nan 0.000 0.472 71 P HA 0.125 nan 4.420 nan 0.000 0.271 71 P C -0.447 176.967 177.300 0.189 0.000 1.216 71 P CA -0.517 62.701 63.100 0.196 0.000 0.771 71 P CB 0.902 32.673 31.700 0.118 0.000 0.864 72 R N 2.124 122.668 120.500 0.072 0.000 2.340 72 R HA 0.384 4.725 4.340 0.001 0.000 0.300 72 R C -1.033 175.147 176.300 -0.200 0.000 1.069 72 R CA -0.397 55.511 56.100 -0.320 0.000 0.984 72 R CB 0.381 30.545 30.300 -0.227 0.000 1.003 72 R HN 0.263 nan 8.270 nan 0.000 0.459 73 V N 5.229 124.979 119.914 -0.273 0.000 2.407 73 V HA 0.329 4.450 4.120 0.001 0.000 0.291 73 V C -0.412 175.596 176.094 -0.143 0.000 1.018 73 V CA -0.740 61.493 62.300 -0.113 0.000 0.842 73 V CB 1.465 33.264 31.823 -0.039 0.000 0.996 73 V HN 0.744 nan 8.190 nan 0.000 0.426 74 K N 3.811 124.150 120.400 -0.102 0.000 2.207 74 K HA 0.447 4.768 4.320 0.001 0.000 0.255 74 K C -0.592 175.927 176.600 -0.134 0.000 0.941 74 K CA -0.701 55.451 56.287 -0.225 0.000 0.825 74 K CB 1.481 33.700 32.500 -0.468 0.000 1.119 74 K HN 0.699 nan 8.250 nan 0.000 0.430 75 N N 3.804 122.412 118.700 -0.153 0.000 2.425 75 N HA 0.097 4.838 4.740 0.001 0.000 0.268 75 N C -0.260 175.208 175.510 -0.070 0.000 0.991 75 N CA -0.305 52.749 53.050 0.007 0.000 0.931 75 N CB 0.532 39.049 38.487 0.050 0.000 1.130 75 N HN 0.670 nan 8.380 nan 0.000 0.493 76 W N 2.060 123.441 121.300 0.136 0.000 2.770 76 W HA 0.138 4.799 4.660 0.002 0.000 0.256 76 W C 2.088 178.656 176.519 0.082 0.000 1.291 76 W CA -0.084 57.333 57.345 0.119 0.000 1.396 76 W CB 0.280 29.835 29.460 0.159 0.000 1.114 76 W HN 0.669 nan 8.180 nan 0.000 0.637 77 E N 0.508 120.845 120.200 0.227 0.000 2.076 77 E HA -0.134 4.217 4.350 0.001 0.000 0.190 77 E C 1.664 178.285 176.600 0.034 0.000 0.979 77 E CA 1.143 57.571 56.400 0.047 0.000 0.807 77 E CB -0.179 29.499 29.700 -0.037 0.000 0.761 77 E HN 0.269 nan 8.360 nan 0.000 0.454 78 L N -1.390 119.850 121.223 0.030 0.000 2.609 78 L HA 0.347 4.687 4.340 0.001 0.000 0.230 78 L C 1.535 178.382 176.870 -0.038 0.000 1.087 78 L CA 0.378 55.218 54.840 -0.001 0.000 0.874 78 L CB 0.722 42.785 42.059 0.006 0.000 1.114 78 L HN 0.402 nan 8.230 nan 0.000 0.488 79 G N 0.710 109.460 108.800 -0.084 0.000 2.179 79 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 79 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 79 G C 0.405 175.205 174.900 -0.166 0.000 0.977 79 G CA 0.422 45.429 45.100 -0.156 0.000 0.641 79 G HN 0.453 nan 8.290 nan 0.000 0.533 80 S N -0.425 115.201 115.700 -0.124 0.000 2.580 80 S HA 0.746 5.217 4.470 0.001 0.000 0.274 80 S C 0.016 174.528 174.600 -0.147 0.000 1.329 80 S CA -0.363 57.773 58.200 -0.106 0.000 1.036 80 S CB 2.150 65.314 63.200 -0.061 0.000 0.919 80 S HN 0.602 nan 8.310 nan 0.000 0.515 81 I N 1.708 122.195 120.570 -0.138 0.000 2.608 81 I HA 0.536 4.706 4.170 0.001 0.000 0.295 81 I C 0.062 176.078 176.117 -0.168 0.000 1.049 81 I CA -0.329 60.855 61.300 -0.193 0.000 1.063 81 I CB 2.686 40.553 38.000 -0.222 0.000 1.248 81 I HN 1.007 nan 8.210 nan 0.000 0.424 82 T N 0.838 115.256 114.554 -0.226 0.000 2.865 82 T HA 0.627 4.978 4.350 0.001 0.000 0.294 82 T C -1.255 173.254 174.700 -0.318 0.000 1.119 82 T CA -0.822 61.186 62.100 -0.154 0.000 1.007 82 T CB 1.515 70.344 68.868 -0.065 0.000 1.225 82 T HN 0.261 nan 8.240 nan 0.000 0.515 83 Y N 0.194 120.483 120.300 -0.017 0.000 2.350 83 Y HA 0.431 4.982 4.550 0.001 0.000 0.338 83 Y C 0.003 175.895 175.900 -0.014 0.000 0.961 83 Y CA -0.915 57.184 58.100 -0.001 0.000 1.100 83 Y CB 1.699 40.147 38.460 -0.021 0.000 1.179 83 Y HN 0.709 nan 8.280 nan 0.000 0.454 84 D N 2.252 122.752 120.400 0.168 0.000 2.339 84 D HA 0.052 4.693 4.640 0.001 0.000 0.241 84 D C 0.786 177.164 176.300 0.130 0.000 1.183 84 D CA 0.232 54.306 54.000 0.124 0.000 0.859 84 D CB 1.260 42.146 40.800 0.143 0.000 1.067 84 D HN 0.802 nan 8.370 nan 0.000 0.484 85 T N 1.131 115.679 114.554 -0.010 0.000 3.014 85 T HA -0.054 4.297 4.350 0.001 0.000 0.250 85 T C 1.847 176.560 174.700 0.022 0.000 1.060 85 T CA -0.238 61.796 62.100 -0.109 0.000 1.040 85 T CB 0.118 68.714 68.868 -0.452 0.000 0.971 85 T HN 0.247 nan 8.240 nan 0.000 0.497 86 L N 2.528 123.757 121.223 0.010 0.000 2.083 86 L HA 0.038 4.379 4.340 0.001 0.000 0.209 86 L C 2.712 179.511 176.870 -0.118 0.000 1.083 86 L CA 1.296 56.151 54.840 0.026 0.000 0.752 86 L CB -1.001 41.142 42.059 0.140 0.000 0.899 86 L HN 0.676 nan 8.230 nan 0.000 0.433 87 C N -1.469 117.553 119.300 -0.463 0.000 2.401 87 C HA -0.074 4.387 4.460 0.001 0.000 0.286 87 C C 2.798 177.587 174.990 -0.335 0.000 1.332 87 C CA 0.265 58.710 59.018 -0.956 0.000 1.795 87 C CB -2.266 24.859 27.740 -1.024 0.000 1.922 87 C HN 0.578 nan 8.230 nan 0.000 0.520 88 A N 0.215 122.978 122.820 -0.094 0.000 2.019 88 A HA -0.117 4.204 4.320 0.001 0.000 0.219 88 A C 2.278 179.861 177.584 -0.002 0.000 1.164 88 A CA 1.586 53.618 52.037 -0.007 0.000 0.644 88 A CB -0.460 18.622 19.000 0.137 0.000 0.805 88 A HN 0.696 nan 8.150 nan 0.000 0.449 89 Q N 0.194 119.997 119.800 0.004 0.000 2.435 89 Q HA 0.034 4.375 4.340 0.001 0.000 0.207 89 Q C 0.937 176.970 176.000 0.055 0.000 0.956 89 Q CA 0.494 56.322 55.803 0.041 0.000 0.917 89 Q CB -0.602 28.175 28.738 0.066 0.000 0.997 89 Q HN 0.513 nan 8.270 nan 0.000 0.497 90 S N 0.949 116.674 115.700 0.042 0.000 2.525 90 S HA 0.008 4.479 4.470 0.001 0.000 0.285 90 S C 0.707 175.338 174.600 0.052 0.000 1.283 90 S CA 0.126 58.376 58.200 0.084 0.000 1.072 90 S CB 0.416 63.680 63.200 0.106 0.000 0.867 90 S HN 0.217 nan 8.310 nan 0.000 0.492 91 Q N 2.406 122.242 119.800 0.059 0.000 2.159 91 Q HA 0.249 4.590 4.340 0.001 0.000 0.217 91 Q C -0.428 175.596 176.000 0.040 0.000 0.818 91 Q CA -0.052 55.777 55.803 0.043 0.000 1.008 91 Q CB 0.718 29.483 28.738 0.045 0.000 1.148 91 Q HN 0.610 nan 8.270 nan 0.000 0.491 92 Q N 0.969 120.798 119.800 0.048 0.000 2.323 92 Q HA 0.237 4.577 4.340 0.001 0.000 0.271 92 Q C -1.435 174.592 176.000 0.045 0.000 1.048 92 Q CA -0.372 55.456 55.803 0.041 0.000 0.792 92 Q CB 2.146 30.908 28.738 0.040 0.000 1.280 92 Q HN 0.126 nan 8.270 nan 0.000 0.441 93 D N 1.311 121.731 120.400 0.033 0.000 2.302 93 D HA 0.371 5.012 4.640 0.001 0.000 0.248 93 D C 0.417 176.737 176.300 0.033 0.000 1.094 93 D CA 0.180 54.199 54.000 0.032 0.000 0.897 93 D CB 1.309 42.122 40.800 0.021 0.000 1.200 93 D HN 0.637 nan 8.370 nan 0.000 0.429 94 G N 1.054 109.877 108.800 0.038 0.000 2.531 94 G HA2 0.354 4.314 3.960 0.001 0.000 0.281 94 G HA3 0.354 4.314 3.960 0.001 0.000 0.281 94 G C -1.425 173.489 174.900 0.023 0.000 1.382 94 G CA -0.589 44.530 45.100 0.031 0.000 1.045 94 G HN 0.374 nan 8.290 nan 0.000 0.533 95 P HA 0.200 nan 4.420 nan 0.000 0.257 95 P C 0.178 177.487 177.300 0.015 0.000 1.241 95 P CA -0.105 63.004 63.100 0.015 0.000 0.816 95 P CB 0.179 31.887 31.700 0.013 0.000 1.150 96 C N 1.016 120.327 119.300 0.019 0.000 2.534 96 C HA 0.583 5.044 4.460 0.001 0.000 0.385 96 C C 1.118 176.115 174.990 0.012 0.000 1.264 96 C CA 0.119 59.146 59.018 0.016 0.000 2.342 96 C CB 0.839 28.591 27.740 0.021 0.000 2.564 96 C HN 0.395 nan 8.230 nan 0.000 0.603 97 T N -1.123 113.435 114.554 0.008 0.000 2.838 97 T HA 0.461 4.812 4.350 0.001 0.000 0.292 97 T C -2.353 172.348 174.700 0.002 0.000 1.113 97 T CA -1.145 60.958 62.100 0.004 0.000 1.008 97 T CB 1.206 70.075 68.868 0.002 0.000 1.259 97 T HN 0.292 nan 8.240 nan 0.000 0.520 98 P HA 0.013 nan 4.420 nan 0.000 0.219 98 P C 1.505 178.803 177.300 -0.003 0.000 1.146 98 P CA 0.649 63.747 63.100 -0.002 0.000 0.808 98 P CB 0.084 31.781 31.700 -0.004 0.000 0.779 99 R N 0.121 120.620 120.500 -0.003 0.000 2.090 99 R HA -0.056 4.285 4.340 0.001 0.000 0.228 99 R C 0.544 176.842 176.300 -0.003 0.000 1.110 99 R CA 0.941 57.039 56.100 -0.003 0.000 0.973 99 R CB 0.127 30.426 30.300 -0.003 0.000 0.869 99 R HN 0.067 nan 8.270 nan 0.000 0.440 100 R N 0.074 120.572 120.500 -0.002 0.000 2.561 100 R HA 0.151 4.492 4.340 0.001 0.000 0.266 100 R C -1.797 174.503 176.300 -0.000 0.000 1.091 100 R CA -0.731 55.367 56.100 -0.003 0.000 0.927 100 R CB 0.051 30.350 30.300 -0.002 0.000 1.240 100 R HN 0.104 nan 8.270 nan 0.000 0.449 101 C N 3.952 123.250 119.300 -0.002 0.000 2.415 101 C HA 0.498 4.959 4.460 0.001 0.000 0.369 101 C C 0.363 175.356 174.990 0.005 0.000 1.279 101 C CA -0.505 58.513 59.018 0.001 0.000 1.886 101 C CB -0.595 27.142 27.740 -0.007 0.000 2.468 101 C HN 0.668 nan 8.230 nan 0.000 0.553 102 L N 6.362 127.593 121.223 0.012 0.000 3.110 102 L HA 0.335 4.675 4.340 0.001 0.000 0.266 102 L C 1.985 178.872 176.870 0.028 0.000 1.257 102 L CA 0.674 55.525 54.840 0.017 0.000 1.038 102 L CB -0.281 41.787 42.059 0.015 0.000 1.395 102 L HN 1.053 nan 8.230 nan 0.000 0.566 103 G N -0.435 108.384 108.800 0.032 0.000 2.470 103 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 103 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 103 G C 1.485 176.434 174.900 0.082 0.000 1.121 103 G CA 1.121 46.251 45.100 0.051 0.000 0.766 103 G HN 0.520 nan 8.290 nan 0.000 0.553 104 S N -0.166 115.579 115.700 0.075 0.000 2.603 104 S HA 0.290 4.761 4.470 0.001 0.000 0.220 104 S C 0.939 175.603 174.600 0.106 0.000 0.967 104 S CA -0.438 57.825 58.200 0.104 0.000 0.920 104 S CB -0.193 63.050 63.200 0.072 0.000 0.773 104 S HN 0.141 nan 8.310 nan 0.000 0.529 105 L N 1.903 123.172 121.223 0.077 0.000 2.380 105 L HA 0.256 4.596 4.340 0.001 0.000 0.273 105 L C 1.496 178.420 176.870 0.091 0.000 1.138 105 L CA -0.437 54.442 54.840 0.065 0.000 0.832 105 L CB 0.933 43.011 42.059 0.032 0.000 1.124 105 L HN 0.040 nan 8.230 nan 0.000 0.454 106 V N 3.777 123.749 119.914 0.097 0.000 2.323 106 V HA -0.135 3.986 4.120 0.001 0.000 0.244 106 V C 1.112 177.198 176.094 -0.013 0.000 1.041 106 V CA 1.278 63.654 62.300 0.127 0.000 1.025 106 V CB -0.201 31.699 31.823 0.128 0.000 0.656 106 V HN 0.515 nan 8.190 nan 0.000 0.451 122 A N 1.640 124.467 122.820 0.011 0.000 1.898 122 A HA -0.137 4.184 4.320 0.001 0.000 0.216 122 A C 1.790 179.380 177.584 0.011 0.000 1.181 122 A CA 2.078 54.123 52.037 0.014 0.000 0.620 122 A CB -0.482 18.524 19.000 0.012 0.000 0.819 122 A HN 0.767 nan 8.150 nan 0.000 0.442 123 E N 0.505 120.710 120.200 0.007 0.000 2.118 123 E HA -0.298 4.053 4.350 0.001 0.000 0.195 123 E C 1.914 178.520 176.600 0.010 0.000 0.992 123 E CA 1.848 58.251 56.400 0.005 0.000 0.804 123 E CB -0.782 28.920 29.700 0.004 0.000 0.741 123 E HN 0.774 nan 8.360 nan 0.000 0.458 124 Q N -0.067 119.740 119.800 0.013 0.000 2.049 124 Q HA -0.074 4.267 4.340 0.001 0.000 0.198 124 Q C 2.430 178.447 176.000 0.027 0.000 0.971 124 Q CA 1.093 56.906 55.803 0.018 0.000 0.833 124 Q CB -0.071 28.676 28.738 0.015 0.000 0.896 124 Q HN 0.300 nan 8.270 nan 0.000 0.434 125 L N 0.739 121.980 121.223 0.030 0.000 2.012 125 L HA -0.197 4.144 4.340 0.001 0.000 0.210 125 L C 2.141 179.038 176.870 0.045 0.000 1.073 125 L CA 1.511 56.383 54.840 0.052 0.000 0.748 125 L CB -0.796 41.301 42.059 0.063 0.000 0.891 125 L HN 0.328 nan 8.230 nan 0.000 0.431 126 L N -0.569 120.661 121.223 0.012 0.000 2.042 126 L HA -0.223 4.118 4.340 0.001 0.000 0.210 126 L C 2.780 179.644 176.870 -0.009 0.000 1.076 126 L CA 2.238 57.063 54.840 -0.024 0.000 0.749 126 L CB -0.833 41.210 42.059 -0.026 0.000 0.893 126 L HN 0.641 nan 8.230 nan 0.000 0.432 127 S N -2.067 113.642 115.700 0.015 0.000 2.406 127 S HA -0.186 4.285 4.470 0.001 0.000 0.228 127 S C 1.856 176.492 174.600 0.060 0.000 1.020 127 S CA 0.809 59.027 58.200 0.030 0.000 0.965 127 S CB -0.538 62.678 63.200 0.027 0.000 0.798 127 S HN 0.614 nan 8.310 nan 0.000 0.488 128 Q N 1.272 121.114 119.800 0.071 0.000 2.084 128 Q HA 0.002 4.343 4.340 0.001 0.000 0.202 128 Q C 2.635 178.734 176.000 0.165 0.000 0.978 128 Q CA 1.492 57.359 55.803 0.108 0.000 0.844 128 Q CB -0.570 28.223 28.738 0.091 0.000 0.898 128 Q HN 0.768 nan 8.270 nan 0.000 0.426 129 A N 1.445 124.342 122.820 0.129 0.000 1.858 129 A HA -0.218 4.103 4.320 0.001 0.000 0.216 129 A C 2.031 179.693 177.584 0.130 0.000 1.190 129 A CA 1.418 53.525 52.037 0.117 0.000 0.617 129 A CB -0.469 18.378 19.000 -0.254 0.000 0.827 129 A HN 0.220 nan 8.150 nan 0.000 0.443 130 R N -0.561 119.972 120.500 0.056 0.000 2.080 130 R HA -0.201 4.140 4.340 0.001 0.000 0.236 130 R C 2.092 178.470 176.300 0.131 0.000 1.137 130 R CA 1.797 57.937 56.100 0.067 0.000 0.943 130 R CB -0.654 29.661 30.300 0.026 0.000 0.846 130 R HN 0.728 nan 8.270 nan 0.000 0.431 131 D N 0.096 120.580 120.400 0.141 0.000 2.133 131 D HA -0.228 4.413 4.640 0.001 0.000 0.195 131 D C 1.678 178.111 176.300 0.221 0.000 0.997 131 D CA 1.208 55.304 54.000 0.160 0.000 0.840 131 D CB -0.096 40.794 40.800 0.150 0.000 0.947 131 D HN 0.175 nan 8.370 nan 0.000 0.452 132 F N 0.610 120.653 119.950 0.155 0.000 2.146 132 F HA -0.056 4.472 4.527 0.001 0.000 0.298 132 F C 1.937 177.892 175.800 0.259 0.000 1.096 132 F CA 0.949 59.077 58.000 0.214 0.000 1.275 132 F CB -0.191 38.938 39.000 0.216 0.000 1.008 132 F HN -0.008 nan 8.300 nan 0.000 0.480 133 I N 0.939 121.557 120.570 0.080 0.000 2.286 133 I HA -0.291 3.880 4.170 0.001 0.000 0.248 133 I C 1.968 178.158 176.117 0.121 0.000 1.115 133 I CA 1.145 62.495 61.300 0.084 0.000 1.392 133 I CB -1.657 36.484 38.000 0.235 0.000 1.065 133 I HN 0.224 nan 8.210 nan 0.000 0.418 134 N N 0.904 119.690 118.700 0.143 0.000 2.120 134 N HA -0.190 4.551 4.740 0.001 0.000 0.188 134 N C 1.840 177.327 175.510 -0.039 0.000 1.024 134 N CA 1.077 54.191 53.050 0.106 0.000 0.852 134 N CB -0.316 38.259 38.487 0.146 0.000 1.003 134 N HN 0.496 nan 8.380 nan 0.000 0.424 135 Q N -0.632 119.151 119.800 -0.030 0.000 2.050 135 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 135 Q C 1.809 177.624 176.000 -0.308 0.000 0.980 135 Q CA 1.361 57.148 55.803 -0.026 0.000 0.840 135 Q CB -0.262 28.587 28.738 0.186 0.000 0.898 135 Q HN 0.491 nan 8.270 nan 0.000 0.424 136 Y N -0.217 119.674 120.300 -0.682 0.000 2.200 136 Y HA -0.272 4.279 4.550 0.001 0.000 0.290 136 Y C 1.649 177.053 175.900 -0.827 0.000 1.137 136 Y CA 1.543 58.975 58.100 -1.113 0.000 1.163 136 Y CB -0.282 37.593 38.460 -0.975 0.000 0.988 136 Y HN 0.079 nan 8.280 nan 0.000 0.518 137 Y N -0.979 118.970 120.300 -0.586 0.000 2.373 137 Y HA -0.151 4.400 4.550 0.001 0.000 0.293 137 Y C 2.999 178.580 175.900 -0.532 0.000 1.129 137 Y CA 1.534 59.257 58.100 -0.629 0.000 1.226 137 Y CB -0.613 37.377 38.460 -0.784 0.000 1.000 137 Y HN 0.196 nan 8.280 nan 0.000 0.549 138 S N -0.575 114.926 115.700 -0.332 0.000 2.383 138 S HA -0.191 4.280 4.470 0.001 0.000 0.227 138 S C 2.376 176.815 174.600 -0.267 0.000 1.026 138 S CA 1.406 59.468 58.200 -0.230 0.000 0.981 138 S CB -0.610 62.509 63.200 -0.135 0.000 0.818 138 S HN 0.581 nan 8.310 nan 0.000 0.472 139 S N 2.015 117.465 115.700 -0.418 0.000 2.399 139 S HA -0.061 4.410 4.470 0.001 0.000 0.231 139 S C 1.635 176.011 174.600 -0.374 0.000 1.022 139 S CA 1.107 59.084 58.200 -0.373 0.000 0.983 139 S CB -0.953 61.922 63.200 -0.543 0.000 0.803 139 S HN 0.796 nan 8.310 nan 0.000 0.480 140 I N -2.681 117.569 120.570 -0.532 0.000 3.855 140 I HA 0.383 4.554 4.170 0.001 0.000 0.327 140 I C 0.173 176.139 176.117 -0.252 0.000 1.359 140 I CA -0.458 60.597 61.300 -0.409 0.000 1.142 140 I CB -0.085 37.579 38.000 -0.560 0.000 1.041 140 I HN -0.059 nan 8.210 nan 0.000 0.403 141 K N 0.291 120.567 120.400 -0.207 0.000 3.529 141 K HA -0.181 4.139 4.320 0.001 0.000 0.313 141 K C 0.466 177.012 176.600 -0.090 0.000 1.316 141 K CA 0.868 57.082 56.287 -0.123 0.000 0.988 141 K CB -1.708 30.739 32.500 -0.088 0.000 1.252 141 K HN 0.500 nan 8.250 nan 0.000 0.438 142 R N 1.245 121.687 120.500 -0.096 0.000 2.555 142 R HA 0.120 4.460 4.340 0.001 0.000 0.272 142 R C 0.294 176.610 176.300 0.026 0.000 1.089 142 R CA -0.042 56.057 56.100 -0.000 0.000 1.126 142 R CB 0.293 30.637 30.300 0.074 0.000 1.250 142 R HN 0.185 nan 8.270 nan 0.000 0.551 143 S N -0.097 115.580 115.700 -0.038 0.000 2.481 143 S HA 0.302 4.773 4.470 0.001 0.000 0.282 143 S C 1.308 175.963 174.600 0.092 0.000 1.243 143 S CA 1.043 59.222 58.200 -0.036 0.000 1.078 143 S CB 0.253 63.422 63.200 -0.052 0.000 0.916 143 S HN 0.734 nan 8.310 nan 0.000 0.495 144 G N 3.377 112.347 108.800 0.285 0.000 2.234 144 G HA2 -0.282 3.679 3.960 0.001 0.000 0.235 144 G HA3 -0.282 3.679 3.960 0.001 0.000 0.235 144 G C 0.360 175.297 174.900 0.061 0.000 0.997 144 G CA 0.257 45.445 45.100 0.145 0.000 0.623 144 G HN 1.592 nan 8.290 nan 0.000 0.514 145 S N 0.265 116.006 115.700 0.068 0.000 2.592 145 S HA 0.339 4.810 4.470 0.001 0.000 0.256 145 S C 1.453 176.049 174.600 -0.006 0.000 1.369 145 S CA 0.864 59.083 58.200 0.032 0.000 0.984 145 S CB 0.851 64.085 63.200 0.056 0.000 0.919 145 S HN 0.304 nan 8.310 nan 0.000 0.576 146 Q N 0.913 120.709 119.800 -0.007 0.000 2.030 146 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 146 Q C 2.721 178.697 176.000 -0.040 0.000 0.986 146 Q CA 2.030 57.818 55.803 -0.025 0.000 0.843 146 Q CB -1.312 27.422 28.738 -0.006 0.000 0.904 146 Q HN 0.949 nan 8.270 nan 0.000 0.420 147 A N 0.453 123.274 122.820 0.002 0.000 1.948 147 A HA -0.260 4.061 4.320 0.001 0.000 0.220 147 A C 1.957 179.407 177.584 -0.223 0.000 1.177 147 A CA 1.926 53.977 52.037 0.024 0.000 0.636 147 A CB -0.971 18.156 19.000 0.211 0.000 0.815 147 A HN 0.576 nan 8.150 nan 0.000 0.449 148 H N -0.457 118.250 119.070 -0.605 0.000 2.270 148 H HA -0.124 4.433 4.556 0.001 0.000 0.299 148 H C 2.010 177.041 175.328 -0.495 0.000 1.077 148 H CA 1.317 56.745 56.048 -1.033 0.000 1.294 148 H CB 0.071 29.416 29.762 -0.695 0.000 1.371 148 H HN 0.499 nan 8.280 nan 0.000 0.491 149 E N 0.725 120.722 120.200 -0.337 0.000 2.097 149 E HA -0.200 4.151 4.350 0.001 0.000 0.196 149 E C 2.058 178.544 176.600 -0.190 0.000 1.000 149 E CA 1.249 57.473 56.400 -0.293 0.000 0.804 149 E CB -0.245 29.343 29.700 -0.186 0.000 0.740 149 E HN 0.702 nan 8.360 nan 0.000 0.454 150 E N 0.312 120.433 120.200 -0.132 0.000 2.107 150 E HA -0.135 4.216 4.350 0.001 0.000 0.191 150 E C 2.173 178.747 176.600 -0.044 0.000 0.982 150 E CA 0.580 56.940 56.400 -0.067 0.000 0.809 150 E CB -0.017 29.666 29.700 -0.029 0.000 0.756 150 E HN -0.064 nan 8.360 nan 0.000 0.459 151 R N 1.292 121.763 120.500 -0.048 0.000 2.075 151 R HA -0.082 4.259 4.340 0.001 0.000 0.232 151 R C 2.026 178.326 176.300 0.000 0.000 1.126 151 R CA 1.171 57.289 56.100 0.030 0.000 0.963 151 R CB -0.611 29.770 30.300 0.135 0.000 0.858 151 R HN 0.145 nan 8.270 nan 0.000 0.435 152 L N 0.152 121.333 121.223 -0.070 0.000 2.012 152 L HA -0.238 4.103 4.340 0.001 0.000 0.210 152 L C 2.588 179.412 176.870 -0.077 0.000 1.073 152 L CA 1.866 56.654 54.840 -0.087 0.000 0.748 152 L CB -0.455 41.504 42.059 -0.166 0.000 0.891 152 L HN 0.329 nan 8.230 nan 0.000 0.431 153 Q N -0.397 119.359 119.800 -0.074 0.000 2.124 153 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 153 Q C 2.127 178.111 176.000 -0.026 0.000 0.977 153 Q CA 1.529 57.302 55.803 -0.051 0.000 0.850 153 Q CB -0.018 28.691 28.738 -0.048 0.000 0.901 153 Q HN 0.531 nan 8.270 nan 0.000 0.429 154 E N -0.285 119.911 120.200 -0.007 0.000 2.051 154 E HA -0.174 4.177 4.350 0.001 0.000 0.192 154 E C 2.082 178.694 176.600 0.020 0.000 0.991 154 E CA 1.444 57.858 56.400 0.024 0.000 0.799 154 E CB -0.020 29.714 29.700 0.056 0.000 0.748 154 E HN 0.145 nan 8.360 nan 0.000 0.449 155 V N 1.602 121.502 119.914 -0.024 0.000 2.261 155 V HA -0.275 3.846 4.120 0.001 0.000 0.246 155 V C 2.097 178.120 176.094 -0.118 0.000 1.047 155 V CA 2.030 64.253 62.300 -0.129 0.000 1.015 155 V CB -0.542 31.099 31.823 -0.302 0.000 0.642 155 V HN 0.227 nan 8.190 nan 0.000 0.446 156 E N 0.250 120.396 120.200 -0.090 0.000 2.058 156 E HA -0.240 4.111 4.350 0.001 0.000 0.194 156 E C 2.303 178.887 176.600 -0.025 0.000 0.997 156 E CA 1.490 57.852 56.400 -0.062 0.000 0.801 156 E CB -0.395 29.273 29.700 -0.053 0.000 0.746 156 E HN 0.604 nan 8.360 nan 0.000 0.450 157 A N 0.958 123.772 122.820 -0.009 0.000 1.933 157 A HA -0.250 4.071 4.320 0.001 0.000 0.218 157 A C 2.030 179.633 177.584 0.033 0.000 1.175 157 A CA 1.585 53.629 52.037 0.011 0.000 0.628 157 A CB -0.376 18.633 19.000 0.015 0.000 0.814 157 A HN 0.220 nan 8.150 nan 0.000 0.444 158 E N -0.395 119.836 120.200 0.052 0.000 2.028 158 E HA -0.112 4.239 4.350 0.001 0.000 0.191 158 E C 1.956 178.610 176.600 0.090 0.000 0.988 158 E CA 1.311 57.768 56.400 0.096 0.000 0.799 158 E CB -0.093 29.708 29.700 0.169 0.000 0.755 158 E HN 0.315 nan 8.360 nan 0.000 0.447 159 V N 1.267 121.221 119.914 0.067 0.000 2.332 159 V HA -0.294 3.827 4.120 0.001 0.000 0.248 159 V C 2.396 178.512 176.094 0.037 0.000 1.055 159 V CA 1.860 64.195 62.300 0.058 0.000 1.038 159 V CB -0.808 31.027 31.823 0.020 0.000 0.651 159 V HN 0.411 nan 8.190 nan 0.000 0.450 160 A N -0.537 122.295 122.820 0.021 0.000 1.908 160 A HA -0.218 4.103 4.320 0.001 0.000 0.218 160 A C 2.473 180.071 177.584 0.024 0.000 1.181 160 A CA 2.444 54.491 52.037 0.016 0.000 0.627 160 A CB -0.603 18.402 19.000 0.008 0.000 0.818 160 A HN 0.520 nan 8.150 nan 0.000 0.445 161 S N -1.364 114.355 115.700 0.032 0.000 2.406 161 S HA -0.052 4.419 4.470 0.001 0.000 0.224 161 S C 1.951 176.576 174.600 0.041 0.000 1.030 161 S CA 1.686 59.907 58.200 0.035 0.000 0.958 161 S CB -0.121 63.102 63.200 0.039 0.000 0.811 161 S HN 0.896 nan 8.310 nan 0.000 0.489 162 T N -2.969 111.617 114.554 0.053 0.000 3.004 162 T HA 0.461 4.812 4.350 0.001 0.000 0.266 162 T C 1.362 176.093 174.700 0.051 0.000 0.986 162 T CA 0.883 63.018 62.100 0.059 0.000 0.902 162 T CB 0.590 69.509 68.868 0.085 0.000 1.118 162 T HN 0.502 nan 8.240 nan 0.000 0.522 163 G N 0.236 109.065 108.800 0.048 0.000 2.179 163 G HA2 -0.189 3.771 3.960 0.001 0.000 0.260 163 G HA3 -0.189 3.771 3.960 0.001 0.000 0.260 163 G C 0.184 175.113 174.900 0.047 0.000 0.977 163 G CA 0.548 45.672 45.100 0.039 0.000 0.641 163 G HN 1.024 nan 8.290 nan 0.000 0.533 164 T N -1.573 113.022 114.554 0.069 0.000 2.665 164 T HA 0.689 5.039 4.350 0.001 0.000 0.303 164 T C -1.268 173.526 174.700 0.156 0.000 1.334 164 T CA 0.445 62.584 62.100 0.065 0.000 1.011 164 T CB 1.452 70.281 68.868 -0.065 0.000 1.573 164 T HN 1.571 nan 8.240 nan 0.000 0.492 165 Y N -0.686 119.512 120.300 -0.170 0.000 2.853 165 Y HA 0.841 5.392 4.550 0.001 0.000 0.326 165 Y C -1.721 173.953 175.900 -0.377 0.000 1.384 165 Y CA -1.156 56.877 58.100 -0.111 0.000 1.077 165 Y CB 0.754 39.217 38.460 0.005 0.000 1.395 165 Y HN 0.792 nan 8.280 nan 0.000 0.451 166 H N 0.328 119.380 119.070 -0.030 0.000 2.806 166 H HA 0.642 5.199 4.556 0.001 0.000 0.367 166 H C -1.196 174.147 175.328 0.026 0.000 1.136 166 H CA -0.773 55.215 56.048 -0.099 0.000 1.178 166 H CB 2.031 31.794 29.762 0.002 0.000 1.718 166 H HN 0.730 nan 8.280 nan 0.000 0.540 167 L N 2.805 124.083 121.223 0.091 0.000 2.371 167 L HA 0.403 4.743 4.340 0.001 0.000 0.272 167 L C 0.358 177.300 176.870 0.119 0.000 1.124 167 L CA -0.976 53.950 54.840 0.143 0.000 0.816 167 L CB 0.430 42.552 42.059 0.106 0.000 1.129 167 L HN 0.409 nan 8.230 nan 0.000 0.448 168 R N 1.534 122.088 120.500 0.091 0.000 2.641 168 R HA 0.021 4.362 4.340 0.001 0.000 0.269 168 R C 0.951 177.252 176.300 0.002 0.000 1.074 168 R CA -0.191 55.931 56.100 0.037 0.000 1.133 168 R CB 0.274 30.580 30.300 0.010 0.000 1.029 168 R HN 0.651 nan 8.270 nan 0.000 0.488 169 E N 1.227 121.426 120.200 -0.001 0.000 2.097 169 E HA -0.243 4.108 4.350 0.001 0.000 0.196 169 E C 1.309 177.902 176.600 -0.012 0.000 1.000 169 E CA 2.155 58.546 56.400 -0.015 0.000 0.804 169 E CB 0.204 29.897 29.700 -0.012 0.000 0.740 169 E HN 0.682 nan 8.360 nan 0.000 0.454 170 S N 0.122 115.816 115.700 -0.010 0.000 2.382 170 S HA -0.192 4.279 4.470 0.001 0.000 0.228 170 S C 1.744 176.351 174.600 0.012 0.000 1.027 170 S CA 1.308 59.527 58.200 0.031 0.000 0.991 170 S CB -0.309 62.933 63.200 0.071 0.000 0.823 170 S HN 0.329 nan 8.310 nan 0.000 0.469 171 E N 1.032 121.111 120.200 -0.202 0.000 2.072 171 E HA -0.030 4.320 4.350 0.001 0.000 0.191 171 E C 2.036 178.774 176.600 0.231 0.000 0.985 171 E CA 1.024 57.328 56.400 -0.161 0.000 0.801 171 E CB -0.345 29.259 29.700 -0.160 0.000 0.750 171 E HN 0.417 nan 8.360 nan 0.000 0.452 172 L N 0.854 122.122 121.223 0.075 0.000 2.012 172 L HA -0.182 4.159 4.340 0.001 0.000 0.210 172 L C 2.215 179.086 176.870 0.003 0.000 1.073 172 L CA 1.426 56.249 54.840 -0.027 0.000 0.748 172 L CB -0.353 41.623 42.059 -0.139 0.000 0.891 172 L HN -0.038 nan 8.230 nan 0.000 0.431 173 V N -0.433 119.510 119.914 0.049 0.000 2.287 173 V HA -0.334 3.787 4.120 0.001 0.000 0.248 173 V C 2.333 178.536 176.094 0.182 0.000 1.053 173 V CA 2.262 64.606 62.300 0.073 0.000 1.027 173 V CB -0.938 30.925 31.823 0.067 0.000 0.646 173 V HN 0.598 nan 8.190 nan 0.000 0.447 174 F N 1.971 122.019 119.950 0.162 0.000 2.134 174 F HA -0.028 4.500 4.527 0.002 0.000 0.299 174 F C 2.152 178.108 175.800 0.260 0.000 1.097 174 F CA 1.693 59.839 58.000 0.243 0.000 1.264 174 F CB -0.898 38.317 39.000 0.358 0.000 1.001 174 F HN 0.120 nan 8.300 nan 0.000 0.479 175 G N -0.171 108.740 108.800 0.185 0.000 2.418 175 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 175 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 175 G C 1.818 176.613 174.900 -0.175 0.000 1.158 175 G CA 0.811 45.908 45.100 -0.004 0.000 0.771 175 G HN 0.634 nan 8.290 nan 0.000 0.545 176 A N 0.864 123.613 122.820 -0.119 0.000 1.902 176 A HA 0.014 4.334 4.320 0.001 0.000 0.217 176 A C 2.299 179.902 177.584 0.032 0.000 1.181 176 A CA 1.965 53.942 52.037 -0.101 0.000 0.623 176 A CB -0.361 18.607 19.000 -0.053 0.000 0.818 176 A HN 0.368 nan 8.150 nan 0.000 0.443 177 K N -1.071 119.384 120.400 0.092 0.000 2.097 177 K HA -0.193 4.127 4.320 0.001 0.000 0.206 177 K C 2.348 179.030 176.600 0.136 0.000 1.049 177 K CA 1.643 58.088 56.287 0.264 0.000 0.933 177 K CB -0.116 32.584 32.500 0.333 0.000 0.717 177 K HN 0.417 nan 8.250 nan 0.000 0.442 178 Q N 0.366 120.067 119.800 -0.164 0.000 2.119 178 Q HA -0.022 4.319 4.340 0.001 0.000 0.201 178 Q C 1.825 177.699 176.000 -0.209 0.000 0.972 178 Q CA 1.589 57.195 55.803 -0.328 0.000 0.847 178 Q CB -0.139 28.277 28.738 -0.537 0.000 0.903 178 Q HN 0.337 nan 8.270 nan 0.000 0.433 179 A N -0.772 121.937 122.820 -0.184 0.000 1.930 179 A HA -0.168 4.153 4.320 0.001 0.000 0.217 179 A C 1.790 179.453 177.584 0.130 0.000 1.175 179 A CA 1.324 53.219 52.037 -0.236 0.000 0.627 179 A CB -1.060 17.476 19.000 -0.772 0.000 0.815 179 A HN 0.659 nan 8.150 nan 0.000 0.443 180 W N 0.961 122.313 121.300 0.087 0.000 2.354 180 W HA -0.128 4.533 4.660 0.001 0.000 0.315 180 W C 2.347 178.844 176.519 -0.037 0.000 1.206 180 W CA 1.555 58.961 57.345 0.102 0.000 1.290 180 W CB -0.826 28.680 29.460 0.077 0.000 1.152 180 W HN 0.347 nan 8.180 nan 0.000 0.489 181 R N 0.252 120.677 120.500 -0.125 0.000 2.133 181 R HA -0.227 4.114 4.340 0.001 0.000 0.247 181 R C 1.583 177.731 176.300 -0.253 0.000 1.151 181 R CA 1.937 57.744 56.100 -0.488 0.000 0.971 181 R CB -0.602 29.077 30.300 -1.036 0.000 0.866 181 R HN 0.145 nan 8.270 nan 0.000 0.447 182 N N -0.033 118.580 118.700 -0.144 0.000 2.467 182 N HA 0.021 4.762 4.740 0.001 0.000 0.184 182 N C -0.412 175.073 175.510 -0.041 0.000 1.106 182 N CA 0.624 53.613 53.050 -0.102 0.000 0.892 182 N CB 0.454 38.882 38.487 -0.098 0.000 0.969 182 N HN 0.167 nan 8.380 nan 0.000 0.454 183 A N 1.812 124.657 122.820 0.043 0.000 2.410 183 A HA 0.294 4.614 4.320 0.001 0.000 0.292 183 A C -1.357 176.227 177.584 -0.001 0.000 1.232 183 A CA -1.009 51.062 52.037 0.056 0.000 0.893 183 A CB 0.417 19.498 19.000 0.136 0.000 1.131 183 A HN -0.009 nan 8.150 nan 0.000 0.530 184 P HA -0.078 nan 4.420 nan 0.000 0.223 184 P C 1.069 178.319 177.300 -0.084 0.000 1.151 184 P CA 1.006 64.059 63.100 -0.079 0.000 0.787 184 P CB 0.179 31.798 31.700 -0.136 0.000 0.788 185 R N -2.038 118.377 120.500 -0.142 0.000 2.310 185 R HA 0.127 4.468 4.340 0.001 0.000 0.202 185 R C 0.298 176.593 176.300 -0.008 0.000 0.933 185 R CA -0.076 55.944 56.100 -0.134 0.000 1.054 185 R CB -0.434 29.584 30.300 -0.469 0.000 0.985 185 R HN 0.169 nan 8.270 nan 0.000 0.489 186 C N 0.453 119.744 119.300 -0.015 0.000 2.303 186 C HA 0.219 4.680 4.460 0.001 0.000 0.341 186 C C 1.899 176.840 174.990 -0.081 0.000 1.244 186 C CA -0.700 58.333 59.018 0.025 0.000 1.765 186 C CB 0.381 28.210 27.740 0.148 0.000 2.379 186 C HN 0.285 nan 8.230 nan 0.000 0.530 187 V N 6.025 125.849 119.914 -0.149 0.000 3.217 187 V HA 0.166 4.287 4.120 0.001 0.000 0.264 187 V C 1.854 177.960 176.094 0.020 0.000 1.135 187 V CA 2.222 64.340 62.300 -0.304 0.000 1.142 187 V CB -0.154 31.518 31.823 -0.252 0.000 0.754 187 V HN 1.078 nan 8.190 nan 0.000 0.484 188 G N -0.831 108.020 108.800 0.085 0.000 3.284 188 G HA2 0.024 3.985 3.960 0.001 0.000 0.236 188 G HA3 0.024 3.985 3.960 0.001 0.000 0.236 188 G C 1.295 176.242 174.900 0.078 0.000 1.158 188 G CA -0.314 44.858 45.100 0.120 0.000 0.774 188 G HN 0.429 nan 8.290 nan 0.000 0.545 189 R N -0.344 120.123 120.500 -0.054 0.000 2.328 189 R HA 0.070 4.410 4.340 0.001 0.000 0.207 189 R C 2.017 177.942 176.300 -0.626 0.000 1.056 189 R CA 0.042 55.837 56.100 -0.507 0.000 1.016 189 R CB -0.157 29.797 30.300 -0.577 0.000 0.872 189 R HN 0.396 nan 8.270 nan 0.000 0.471 190 I N 1.141 121.524 120.570 -0.312 0.000 2.423 190 I HA -0.273 3.898 4.170 0.001 0.000 0.254 190 I C 1.519 177.561 176.117 -0.125 0.000 1.151 190 I CA 1.597 62.855 61.300 -0.068 0.000 1.421 190 I CB 0.102 38.144 38.000 0.070 0.000 1.079 190 I HN 0.104 nan 8.210 nan 0.000 0.431 191 Q N 0.095 119.764 119.800 -0.219 0.000 2.365 191 Q HA -0.083 4.258 4.340 0.001 0.000 0.203 191 Q C 1.629 177.255 176.000 -0.623 0.000 0.929 191 Q CA 0.406 56.069 55.803 -0.233 0.000 0.948 191 Q CB -0.392 28.371 28.738 0.041 0.000 1.043 191 Q HN 0.829 nan 8.270 nan 0.000 0.505 192 W N -0.367 120.338 121.300 -0.992 0.000 2.364 192 W HA -0.045 4.616 4.660 0.001 0.000 0.281 192 W C 1.077 177.334 176.519 -0.437 0.000 1.219 192 W CA 1.027 57.621 57.345 -1.251 0.000 1.220 192 W CB -0.963 27.932 29.460 -0.942 0.000 1.127 192 W HN 0.068 nan 8.180 nan 0.000 0.556 193 G N 1.134 109.340 108.800 -0.989 0.000 2.712 193 G HA2 -0.129 3.832 3.960 0.001 0.000 0.212 193 G HA3 -0.129 3.832 3.960 0.001 0.000 0.212 193 G C 0.639 175.356 174.900 -0.305 0.000 1.142 193 G CA -0.129 44.452 45.100 -0.866 0.000 0.789 193 G HN 0.212 nan 8.290 nan 0.000 0.535 194 K N 0.204 120.523 120.400 -0.135 0.000 2.478 194 K HA 0.553 4.874 4.320 0.001 0.000 0.236 194 K C -1.696 175.030 176.600 0.211 0.000 1.021 194 K CA -0.674 55.634 56.287 0.036 0.000 1.010 194 K CB 0.483 33.021 32.500 0.063 0.000 1.331 194 K HN 0.052 nan 8.250 nan 0.000 0.470 195 L N 3.074 124.398 121.223 0.168 0.000 2.476 195 L HA 0.337 4.678 4.340 0.001 0.000 0.269 195 L C -1.385 175.496 176.870 0.019 0.000 0.965 195 L CA -0.389 54.559 54.840 0.180 0.000 0.845 195 L CB 1.933 44.169 42.059 0.295 0.000 1.259 195 L HN 0.477 nan 8.230 nan 0.000 0.403 196 Q N 3.149 122.914 119.800 -0.059 0.000 2.295 196 Q HA 0.531 4.872 4.340 0.001 0.000 0.259 196 Q C -1.535 174.172 176.000 -0.488 0.000 0.976 196 Q CA 0.024 55.625 55.803 -0.336 0.000 0.923 196 Q CB 1.193 29.638 28.738 -0.488 0.000 1.185 196 Q HN 0.518 nan 8.270 nan 0.000 0.410 197 V N 6.394 126.007 119.914 -0.500 0.000 2.334 197 V HA 0.396 4.517 4.120 0.001 0.000 0.281 197 V C -0.778 175.012 176.094 -0.507 0.000 1.016 197 V CA -0.596 61.474 62.300 -0.384 0.000 0.832 197 V CB 0.362 32.071 31.823 -0.191 0.000 0.999 197 V HN 0.641 nan 8.190 nan 0.000 0.439 198 F N 2.696 122.529 119.950 -0.195 0.000 2.411 198 F HA 0.389 4.917 4.527 0.001 0.000 0.355 198 F C 0.533 176.183 175.800 -0.251 0.000 1.117 198 F CA -0.830 57.049 58.000 -0.201 0.000 1.139 198 F CB 0.958 39.844 39.000 -0.189 0.000 1.120 198 F HN 0.426 nan 8.300 nan 0.000 0.493 199 D N 3.054 123.430 120.400 -0.041 0.000 2.380 199 D HA 0.406 5.047 4.640 0.001 0.000 0.230 199 D C 0.056 176.209 176.300 -0.245 0.000 1.154 199 D CA -0.072 53.836 54.000 -0.153 0.000 0.859 199 D CB 1.206 41.950 40.800 -0.093 0.000 1.045 199 D HN 0.606 nan 8.370 nan 0.000 0.495 200 A N 4.490 127.002 122.820 -0.513 0.000 2.630 200 A HA 0.169 4.490 4.320 0.001 0.000 0.290 200 A C 1.506 178.796 177.584 -0.490 0.000 1.267 200 A CA -0.396 51.093 52.037 -0.913 0.000 0.950 200 A CB 0.010 17.980 19.000 -1.717 0.000 1.144 200 A HN 0.561 nan 8.150 nan 0.000 0.527 201 R N 0.825 121.173 120.500 -0.253 0.000 2.316 201 R HA -0.049 4.292 4.340 0.001 0.000 0.202 201 R C 0.314 176.574 176.300 -0.067 0.000 1.029 201 R CA 1.050 57.077 56.100 -0.123 0.000 1.018 201 R CB 0.035 30.323 30.300 -0.021 0.000 0.888 201 R HN 0.619 nan 8.270 nan 0.000 0.471 202 D N -0.187 120.193 120.400 -0.034 0.000 2.538 202 D HA -0.035 4.605 4.640 0.001 0.000 0.234 202 D C -0.378 175.989 176.300 0.112 0.000 1.191 202 D CA -0.323 53.706 54.000 0.048 0.000 0.828 202 D CB -0.494 40.352 40.800 0.078 0.000 0.981 202 D HN -0.010 nan 8.370 nan 0.000 0.490 203 C N 1.310 120.647 119.300 0.063 0.000 2.369 203 C HA 0.549 5.010 4.460 0.001 0.000 0.358 203 C C 1.431 176.528 174.990 0.177 0.000 1.274 203 C CA 0.016 59.135 59.018 0.168 0.000 1.935 203 C CB 0.209 28.039 27.740 0.150 0.000 2.431 203 C HN 0.449 nan 8.230 nan 0.000 0.545 204 S N 2.636 118.488 115.700 0.254 0.000 2.780 204 S HA 0.337 4.808 4.470 0.001 0.000 0.248 204 S C -0.034 174.728 174.600 0.269 0.000 1.036 204 S CA 0.228 58.607 58.200 0.297 0.000 1.061 204 S CB -0.252 63.064 63.200 0.193 0.000 1.037 204 S HN 1.317 nan 8.310 nan 0.000 0.584 205 S N -0.550 115.310 115.700 0.266 0.000 2.565 205 S HA 0.782 5.253 4.470 0.001 0.000 0.269 205 S C 0.787 175.487 174.600 0.166 0.000 1.153 205 S CA -0.318 57.990 58.200 0.180 0.000 0.835 205 S CB 0.913 64.193 63.200 0.133 0.000 1.122 205 S HN 0.570 nan 8.310 nan 0.000 0.462 206 A N 1.051 123.947 122.820 0.126 0.000 1.933 206 A HA -0.085 4.236 4.320 0.001 0.000 0.218 206 A C 2.094 179.675 177.584 -0.005 0.000 1.175 206 A CA 1.644 53.743 52.037 0.102 0.000 0.628 206 A CB -0.917 18.204 19.000 0.203 0.000 0.814 206 A HN 0.779 nan 8.150 nan 0.000 0.444 207 Q N -0.108 119.758 119.800 0.110 0.000 2.084 207 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 207 Q C 1.893 177.894 176.000 0.001 0.000 0.978 207 Q CA 1.927 57.752 55.803 0.036 0.000 0.844 207 Q CB -0.258 28.586 28.738 0.176 0.000 0.898 207 Q HN 0.823 nan 8.270 nan 0.000 0.426 208 E N -0.313 119.933 120.200 0.076 0.000 2.110 208 E HA -0.154 4.197 4.350 0.001 0.000 0.193 208 E C 2.126 178.858 176.600 0.221 0.000 0.988 208 E CA 0.938 57.410 56.400 0.120 0.000 0.804 208 E CB -0.120 29.698 29.700 0.197 0.000 0.745 208 E HN 0.370 nan 8.360 nan 0.000 0.458 209 M N -0.018 119.668 119.600 0.144 0.000 2.117 209 M HA -0.160 4.321 4.480 0.001 0.000 0.262 209 M C 2.193 178.539 176.300 0.077 0.000 1.065 209 M CA 1.274 56.614 55.300 0.066 0.000 1.114 209 M CB -0.296 32.128 32.600 -0.293 0.000 1.361 209 M HN 0.104 nan 8.290 nan 0.000 0.408 210 F N 1.203 120.961 119.950 -0.321 0.000 2.134 210 F HA -0.186 4.342 4.527 0.001 0.000 0.299 210 F C 2.306 177.994 175.800 -0.185 0.000 1.097 210 F CA 1.822 59.569 58.000 -0.422 0.000 1.264 210 F CB -0.711 37.697 39.000 -0.986 0.000 1.001 210 F HN 0.034 nan 8.300 nan 0.000 0.479 211 T N -0.524 113.891 114.554 -0.232 0.000 2.708 211 T HA -0.224 4.126 4.350 0.001 0.000 0.266 211 T C 1.721 176.262 174.700 -0.264 0.000 1.037 211 T CA 1.810 63.722 62.100 -0.313 0.000 1.146 211 T CB -0.754 67.971 68.868 -0.238 0.000 0.865 211 T HN 0.270 nan 8.240 nan 0.000 0.435 212 Y N 0.999 121.243 120.300 -0.093 0.000 2.207 212 Y HA -0.048 4.503 4.550 0.001 0.000 0.287 212 Y C 2.184 178.029 175.900 -0.092 0.000 1.156 212 Y CA 0.575 58.634 58.100 -0.069 0.000 1.182 212 Y CB -0.556 37.968 38.460 0.106 0.000 0.979 212 Y HN 0.218 nan 8.280 nan 0.000 0.521 213 I N -1.900 118.730 120.570 0.100 0.000 2.286 213 I HA -0.314 3.857 4.170 0.001 0.000 0.245 213 I C 2.289 178.326 176.117 -0.133 0.000 1.104 213 I CA 0.790 62.090 61.300 0.001 0.000 1.397 213 I CB -0.445 37.556 38.000 0.002 0.000 1.072 213 I HN 0.235 nan 8.210 nan 0.000 0.417 214 C N 0.833 119.938 119.300 -0.326 0.000 2.413 214 C HA -0.144 4.317 4.460 0.001 0.000 0.277 214 C C 2.628 177.506 174.990 -0.186 0.000 1.265 214 C CA 0.898 59.717 59.018 -0.332 0.000 1.752 214 C CB -1.391 26.025 27.740 -0.540 0.000 1.998 214 C HN 0.549 nan 8.230 nan 0.000 0.489 215 N N -0.158 118.423 118.700 -0.198 0.000 2.142 215 N HA -0.126 4.615 4.740 0.001 0.000 0.186 215 N C 1.432 176.829 175.510 -0.189 0.000 1.023 215 N CA 1.404 54.330 53.050 -0.205 0.000 0.852 215 N CB -0.860 37.450 38.487 -0.295 0.000 0.998 215 N HN 0.742 nan 8.380 nan 0.000 0.424 216 H N 0.773 119.665 119.070 -0.296 0.000 2.289 216 H HA -0.035 4.522 4.556 0.001 0.000 0.296 216 H C 2.141 177.480 175.328 0.019 0.000 1.091 216 H CA 1.901 57.852 56.048 -0.162 0.000 1.274 216 H CB -0.123 29.594 29.762 -0.074 0.000 1.364 216 H HN 0.090 nan 8.280 nan 0.000 0.490 217 I N 0.904 121.606 120.570 0.219 0.000 2.163 217 I HA -0.323 3.848 4.170 0.001 0.000 0.243 217 I C 2.737 178.922 176.117 0.113 0.000 1.085 217 I CA 1.601 62.994 61.300 0.156 0.000 1.347 217 I CB -0.415 37.604 38.000 0.031 0.000 1.044 217 I HN 0.356 nan 8.210 nan 0.000 0.408 218 K N 1.014 121.448 120.400 0.056 0.000 2.032 218 K HA -0.285 4.036 4.320 0.001 0.000 0.209 218 K C 2.315 178.964 176.600 0.081 0.000 1.048 218 K CA 2.028 58.341 56.287 0.044 0.000 0.927 218 K CB -0.720 31.785 32.500 0.008 0.000 0.712 218 K HN 0.341 nan 8.250 nan 0.000 0.441 219 Y N 1.073 121.379 120.300 0.010 0.000 2.114 219 Y HA -0.180 4.371 4.550 0.001 0.000 0.284 219 Y C 2.303 178.254 175.900 0.086 0.000 1.143 219 Y CA 2.341 60.478 58.100 0.063 0.000 1.135 219 Y CB -0.588 37.954 38.460 0.136 0.000 0.980 219 Y HN 0.199 nan 8.280 nan 0.000 0.499 220 A N -0.621 122.327 122.820 0.212 0.000 1.908 220 A HA -0.193 4.127 4.320 0.001 0.000 0.218 220 A C 2.209 179.836 177.584 0.072 0.000 1.181 220 A CA 2.399 54.534 52.037 0.163 0.000 0.627 220 A CB -1.354 17.810 19.000 0.274 0.000 0.818 220 A HN 0.537 nan 8.150 nan 0.000 0.445 221 T N -0.605 113.992 114.554 0.073 0.000 2.701 221 T HA -0.101 4.250 4.350 0.001 0.000 0.263 221 T C 1.044 175.744 174.700 -0.001 0.000 1.040 221 T CA 1.064 63.198 62.100 0.057 0.000 1.147 221 T CB -0.475 68.428 68.868 0.060 0.000 0.865 221 T HN 0.743 nan 8.240 nan 0.000 0.426 222 N N 0.600 119.273 118.700 -0.045 0.000 2.727 222 N HA -0.268 4.473 4.740 0.001 0.000 0.249 222 N C -0.624 174.857 175.510 -0.048 0.000 1.048 222 N CA 0.254 53.254 53.050 -0.084 0.000 0.714 222 N CB -0.548 37.844 38.487 -0.158 0.000 0.959 222 N HN 0.341 nan 8.380 nan 0.000 0.544 223 R N -1.887 118.598 120.500 -0.025 0.000 3.627 223 R HA -0.238 4.103 4.340 0.001 0.000 0.281 223 R C 1.238 177.524 176.300 -0.024 0.000 1.140 223 R CA 1.462 57.549 56.100 -0.021 0.000 0.761 223 R CB -1.900 28.385 30.300 -0.025 0.000 1.181 223 R HN 0.856 nan 8.270 nan 0.000 0.472 224 G N -0.774 108.019 108.800 -0.011 0.000 2.218 224 G HA2 -0.345 3.616 3.960 0.001 0.000 0.216 224 G HA3 -0.345 3.616 3.960 0.001 0.000 0.216 224 G C -0.052 174.839 174.900 -0.015 0.000 0.994 224 G CA 0.047 45.142 45.100 -0.008 0.000 0.637 224 G HN 0.502 nan 8.290 nan 0.000 0.505 225 N N 1.191 119.869 118.700 -0.036 0.000 3.034 225 N HA 0.409 5.150 4.740 0.001 0.000 0.265 225 N C 0.083 175.563 175.510 -0.050 0.000 1.166 225 N CA -0.627 52.385 53.050 -0.063 0.000 1.081 225 N CB -0.079 38.364 38.487 -0.072 0.000 1.378 225 N HN 0.122 nan 8.380 nan 0.000 0.520 226 L N 2.452 123.672 121.223 -0.006 0.000 2.485 226 L HA 0.153 4.494 4.340 0.001 0.000 0.275 226 L C 0.655 177.632 176.870 0.177 0.000 1.207 226 L CA 0.792 55.698 54.840 0.110 0.000 0.855 226 L CB 0.386 42.598 42.059 0.255 0.000 1.114 226 L HN 0.361 nan 8.230 nan 0.000 0.485 227 R N 1.361 121.973 120.500 0.186 0.000 2.575 227 R HA 0.445 4.786 4.340 0.001 0.000 0.293 227 R C -0.642 175.826 176.300 0.280 0.000 0.983 227 R CA -0.681 55.553 56.100 0.223 0.000 0.887 227 R CB 1.706 32.003 30.300 -0.004 0.000 1.184 227 R HN 0.562 nan 8.270 nan 0.000 0.445 228 S N 1.504 117.380 115.700 0.293 0.000 2.549 228 S HA 0.429 4.900 4.470 0.001 0.000 0.283 228 S C -0.255 174.420 174.600 0.125 0.000 1.320 228 S CA -0.190 58.089 58.200 0.130 0.000 1.058 228 S CB 1.112 64.342 63.200 0.050 0.000 0.882 228 S HN 0.685 nan 8.310 nan 0.000 0.498 229 A N 2.921 125.778 122.820 0.061 0.000 2.594 229 A HA 0.820 5.141 4.320 0.001 0.000 0.295 229 A C -1.173 176.463 177.584 0.087 0.000 1.071 229 A CA -0.652 51.375 52.037 -0.018 0.000 0.685 229 A CB 1.201 20.125 19.000 -0.127 0.000 1.285 229 A HN 0.797 nan 8.150 nan 0.000 0.405 230 I N 0.539 121.156 120.570 0.079 0.000 2.686 230 I HA 0.653 4.824 4.170 0.001 0.000 0.295 230 I C -1.043 175.201 176.117 0.212 0.000 1.114 230 I CA -0.172 61.279 61.300 0.252 0.000 1.038 230 I CB 2.443 40.545 38.000 0.171 0.000 1.238 230 I HN 0.604 nan 8.210 nan 0.000 0.420 231 T N 6.165 120.870 114.554 0.252 0.000 2.792 231 T HA 0.453 4.804 4.350 0.001 0.000 0.280 231 T C -0.789 173.738 174.700 -0.288 0.000 0.990 231 T CA -0.362 61.733 62.100 -0.009 0.000 0.960 231 T CB 1.551 70.400 68.868 -0.030 0.000 0.939 231 T HN 0.257 nan 8.240 nan 0.000 0.439 232 V N 5.108 124.772 119.914 -0.417 0.000 2.328 232 V HA 0.462 4.583 4.120 0.001 0.000 0.278 232 V C -0.408 175.378 176.094 -0.514 0.000 1.021 232 V CA -0.804 61.258 62.300 -0.396 0.000 0.838 232 V CB -0.017 31.544 31.823 -0.438 0.000 0.999 232 V HN 0.719 nan 8.190 nan 0.000 0.447 233 F N 5.394 125.262 119.950 -0.136 0.000 2.362 233 F HA 0.489 5.016 4.527 0.001 0.000 0.311 233 F C -1.780 173.928 175.800 -0.153 0.000 1.161 233 F CA -2.421 55.434 58.000 -0.241 0.000 1.085 233 F CB 0.137 38.996 39.000 -0.236 0.000 1.311 233 F HN 0.293 nan 8.300 nan 0.000 0.524 234 P HA -0.006 nan 4.420 nan 0.000 0.265 234 P C -0.968 176.366 177.300 0.056 0.000 1.193 234 P CA -0.209 62.818 63.100 -0.123 0.000 0.765 234 P CB 0.196 31.642 31.700 -0.424 0.000 0.823 235 Q N 3.725 123.531 119.800 0.009 0.000 2.474 235 Q HA 0.094 4.435 4.340 0.001 0.000 0.256 235 Q C -0.173 175.751 176.000 -0.126 0.000 1.048 235 Q CA -0.226 55.373 55.803 -0.339 0.000 0.922 235 Q CB 0.518 28.776 28.738 -0.799 0.000 1.288 235 Q HN 0.347 nan 8.270 nan 0.000 0.484 236 R N 0.218 120.614 120.500 -0.173 0.000 2.679 236 R HA 0.338 4.679 4.340 0.001 0.000 0.268 236 R C -0.629 175.616 176.300 -0.092 0.000 1.044 236 R CA 0.518 56.572 56.100 -0.077 0.000 1.105 236 R CB 0.428 30.671 30.300 -0.096 0.000 0.989 236 R HN 0.732 nan 8.270 nan 0.000 0.447 237 A N 3.743 126.546 122.820 -0.029 0.000 2.422 237 A HA 0.439 4.760 4.320 0.001 0.000 0.302 237 A C -1.802 175.773 177.584 -0.015 0.000 1.041 237 A CA -1.447 50.576 52.037 -0.024 0.000 0.708 237 A CB 1.501 20.513 19.000 0.020 0.000 1.257 237 A HN 0.463 nan 8.150 nan 0.000 0.414 238 P HA -0.174 nan 4.420 nan 0.000 0.216 238 P C 1.599 178.898 177.300 -0.002 0.000 1.154 238 P CA 2.186 65.279 63.100 -0.011 0.000 0.865 238 P CB -0.019 31.677 31.700 -0.007 0.000 0.789 239 G N -0.169 108.634 108.800 0.006 0.000 2.470 239 G HA2 -0.142 3.819 3.960 0.001 0.000 0.220 239 G HA3 -0.142 3.819 3.960 0.001 0.000 0.220 239 G C 0.868 175.770 174.900 0.005 0.000 1.121 239 G CA 0.565 45.670 45.100 0.009 0.000 0.766 239 G HN 0.465 nan 8.290 nan 0.000 0.553 240 R N -2.229 118.273 120.500 0.003 0.000 2.831 240 R HA 0.655 4.996 4.340 0.001 0.000 0.266 240 R C 0.208 176.499 176.300 -0.014 0.000 1.051 240 R CA -0.373 55.723 56.100 -0.006 0.000 0.943 240 R CB 0.197 30.493 30.300 -0.007 0.000 1.228 240 R HN 0.016 nan 8.270 nan 0.000 0.467 241 G N -0.079 108.702 108.800 -0.032 0.000 2.606 241 G HA2 0.241 4.202 3.960 0.001 0.000 0.252 241 G HA3 0.241 4.202 3.960 0.001 0.000 0.252 241 G C -0.882 173.987 174.900 -0.052 0.000 1.206 241 G CA -0.515 44.564 45.100 -0.036 0.000 0.861 241 G HN 0.563 nan 8.290 nan 0.000 0.561 242 D N -0.393 119.993 120.400 -0.022 0.000 2.264 242 D HA 0.252 4.893 4.640 0.001 0.000 0.249 242 D C -0.034 176.255 176.300 -0.019 0.000 1.070 242 D CA 0.046 54.062 54.000 0.027 0.000 0.912 242 D CB 1.046 41.878 40.800 0.054 0.000 1.193 242 D HN 0.108 nan 8.370 nan 0.000 0.427 243 F N 1.653 121.625 119.950 0.036 0.000 2.538 243 F HA 0.163 4.691 4.527 0.001 0.000 0.371 243 F C 1.279 177.102 175.800 0.039 0.000 1.087 243 F CA 0.367 58.379 58.000 0.021 0.000 1.250 243 F CB 0.436 39.445 39.000 0.016 0.000 1.110 243 F HN -0.169 nan 8.300 nan 0.000 0.570 244 R N 3.704 124.321 120.500 0.196 0.000 2.626 244 R HA 0.495 4.836 4.340 0.001 0.000 0.274 244 R C -1.267 175.165 176.300 0.220 0.000 1.031 244 R CA -0.939 55.281 56.100 0.199 0.000 0.898 244 R CB 2.162 32.595 30.300 0.222 0.000 1.222 244 R HN 0.591 nan 8.270 nan 0.000 0.455 245 I N 1.788 122.469 120.570 0.185 0.000 2.321 245 I HA 0.184 4.355 4.170 0.001 0.000 0.291 245 I C 0.595 176.900 176.117 0.312 0.000 0.998 245 I CA -0.387 61.030 61.300 0.194 0.000 1.227 245 I CB 1.118 39.174 38.000 0.093 0.000 1.368 245 I HN 0.524 nan 8.210 nan 0.000 0.466 246 W N 3.345 124.669 121.300 0.040 0.000 2.418 246 W HA -0.050 4.611 4.660 0.002 0.000 0.292 246 W C 0.942 177.549 176.519 0.146 0.000 1.213 246 W CA 0.108 57.531 57.345 0.131 0.000 1.283 246 W CB -0.823 28.685 29.460 0.080 0.000 1.119 246 W HN 0.402 nan 8.180 nan 0.000 0.542 247 N N 0.185 119.036 118.700 0.252 0.000 2.454 247 N HA -0.007 4.734 4.740 0.001 0.000 0.254 247 N C 1.309 176.875 175.510 0.094 0.000 1.228 247 N CA 0.908 54.035 53.050 0.128 0.000 0.900 247 N CB 0.751 39.255 38.487 0.029 0.000 1.089 247 N HN -0.074 nan 8.380 nan 0.000 0.449 248 S N 0.993 116.746 115.700 0.088 0.000 2.436 248 S HA -0.027 4.444 4.470 0.001 0.000 0.228 248 S C 0.312 174.907 174.600 -0.008 0.000 1.014 248 S CA 0.603 58.840 58.200 0.061 0.000 0.950 248 S CB 0.073 63.341 63.200 0.114 0.000 0.784 248 S HN 0.652 nan 8.310 nan 0.000 0.504 249 Q N -0.671 119.109 119.800 -0.032 0.000 2.456 249 Q HA 0.528 4.869 4.340 0.001 0.000 0.283 249 Q C 0.254 176.169 176.000 -0.141 0.000 1.084 249 Q CA -0.592 55.149 55.803 -0.102 0.000 0.801 249 Q CB 1.932 30.628 28.738 -0.069 0.000 1.434 249 Q HN 0.089 nan 8.270 nan 0.000 0.419 250 L N 0.058 121.171 121.223 -0.182 0.000 2.141 250 L HA 0.009 4.350 4.340 0.001 0.000 0.209 250 L C 0.342 177.068 176.870 -0.240 0.000 1.094 250 L CA 0.849 55.582 54.840 -0.178 0.000 0.763 250 L CB 0.102 42.050 42.059 -0.186 0.000 0.908 250 L HN 0.286 nan 8.230 nan 0.000 0.437 251 V N 0.526 120.209 119.914 -0.385 0.000 2.444 251 V HA 0.475 4.596 4.120 0.001 0.000 0.294 251 V C -0.217 175.334 176.094 -0.905 0.000 1.022 251 V CA -0.659 61.245 62.300 -0.659 0.000 0.850 251 V CB 1.698 32.990 31.823 -0.884 0.000 0.992 251 V HN 0.203 nan 8.190 nan 0.000 0.426 252 R N 2.580 122.684 120.500 -0.661 0.000 2.739 252 R HA 0.558 4.899 4.340 0.001 0.000 0.271 252 R C -1.878 174.206 176.300 -0.361 0.000 1.010 252 R CA -0.917 54.901 56.100 -0.471 0.000 0.897 252 R CB 2.555 32.760 30.300 -0.159 0.000 1.236 252 R HN 0.563 nan 8.270 nan 0.000 0.466 253 Y N 0.314 120.606 120.300 -0.013 0.000 2.352 253 Y HA 0.461 5.012 4.550 0.001 0.000 0.326 253 Y C 0.818 176.685 175.900 -0.055 0.000 1.166 253 Y CA -0.701 57.405 58.100 0.010 0.000 1.182 253 Y CB 1.233 39.773 38.460 0.133 0.000 1.216 253 Y HN 0.688 nan 8.280 nan 0.000 0.474 254 A N 1.363 124.212 122.820 0.049 0.000 2.425 254 A HA 0.539 4.859 4.320 0.001 0.000 0.242 254 A C 0.571 177.942 177.584 -0.355 0.000 1.077 254 A CA 0.301 52.200 52.037 -0.230 0.000 0.781 254 A CB -0.302 18.460 19.000 -0.397 0.000 1.020 254 A HN 0.948 nan 8.150 nan 0.000 0.494 255 G N 0.431 109.000 108.800 -0.386 0.000 2.675 255 G HA2 0.541 4.502 3.960 0.001 0.000 0.297 255 G HA3 0.541 4.502 3.960 0.001 0.000 0.297 255 G C -1.238 173.500 174.900 -0.269 0.000 1.399 255 G CA -0.241 44.683 45.100 -0.294 0.000 0.981 255 G HN 0.494 nan 8.290 nan 0.000 0.519 256 Y N 1.567 121.884 120.300 0.028 0.000 2.385 256 Y HA 0.458 5.009 4.550 0.001 0.000 0.341 256 Y C 0.810 176.716 175.900 0.010 0.000 0.965 256 Y CA -1.320 56.799 58.100 0.032 0.000 1.180 256 Y CB 1.315 39.792 38.460 0.029 0.000 1.139 256 Y HN 0.568 nan 8.280 nan 0.000 0.502 257 R N 3.073 123.662 120.500 0.150 0.000 2.449 257 R HA 0.110 4.451 4.340 0.001 0.000 0.296 257 R C -0.376 175.972 176.300 0.081 0.000 1.047 257 R CA 0.057 56.210 56.100 0.088 0.000 1.018 257 R CB 0.312 30.653 30.300 0.068 0.000 0.962 257 R HN 0.540 nan 8.270 nan 0.000 0.428 258 Q N 2.930 122.763 119.800 0.055 0.000 2.212 258 Q HA 0.093 4.434 4.340 0.001 0.000 0.238 258 Q C 0.746 176.760 176.000 0.023 0.000 0.955 258 Q CA -0.621 55.203 55.803 0.035 0.000 0.906 258 Q CB 0.919 29.673 28.738 0.027 0.000 1.215 258 Q HN 0.668 nan 8.270 nan 0.000 0.478 259 Q N 1.067 120.874 119.800 0.012 0.000 2.118 259 Q HA -0.193 4.148 4.340 0.001 0.000 0.211 259 Q C 0.796 176.801 176.000 0.009 0.000 0.998 259 Q CA 1.891 57.698 55.803 0.007 0.000 0.872 259 Q CB -0.122 28.616 28.738 -0.000 0.000 0.925 259 Q HN 0.714 nan 8.270 nan 0.000 0.414 260 D N -1.273 119.133 120.400 0.009 0.000 2.323 260 D HA 0.090 4.730 4.640 0.001 0.000 0.239 260 D C 0.964 177.272 176.300 0.013 0.000 1.129 260 D CA 0.708 54.713 54.000 0.009 0.000 0.865 260 D CB -0.050 40.754 40.800 0.007 0.000 0.913 260 D HN 0.374 nan 8.370 nan 0.000 0.517 261 G N 1.332 110.142 108.800 0.017 0.000 2.189 261 G HA2 -0.350 3.611 3.960 0.001 0.000 0.267 261 G HA3 -0.350 3.611 3.960 0.001 0.000 0.267 261 G C 0.538 175.450 174.900 0.021 0.000 0.975 261 G CA 0.718 45.831 45.100 0.020 0.000 0.644 261 G HN 0.670 nan 8.290 nan 0.000 0.537 262 S N -1.285 114.426 115.700 0.019 0.000 2.655 262 S HA 0.745 5.216 4.470 0.001 0.000 0.265 262 S C 0.079 174.691 174.600 0.018 0.000 1.240 262 S CA -0.161 58.049 58.200 0.016 0.000 0.986 262 S CB 2.494 65.702 63.200 0.013 0.000 0.985 262 S HN 1.007 nan 8.310 nan 0.000 0.562 263 V N 1.078 120.995 119.914 0.005 0.000 2.555 263 V HA 0.549 4.670 4.120 0.001 0.000 0.302 263 V C 0.067 176.153 176.094 -0.013 0.000 1.038 263 V CA -0.861 61.439 62.300 -0.001 0.000 0.887 263 V CB 1.534 33.338 31.823 -0.031 0.000 0.991 263 V HN 0.939 nan 8.190 nan 0.000 0.434 264 R N 2.596 123.116 120.500 0.033 0.000 2.294 264 R HA 0.657 4.998 4.340 0.001 0.000 0.319 264 R C 0.573 176.864 176.300 -0.014 0.000 0.984 264 R CA 0.935 57.061 56.100 0.042 0.000 0.861 264 R CB 0.969 31.354 30.300 0.141 0.000 1.104 264 R HN 1.202 nan 8.270 nan 0.000 0.451 265 G N 2.940 111.657 108.800 -0.139 0.000 2.484 265 G HA2 -0.255 3.706 3.960 0.001 0.000 0.225 265 G HA3 -0.255 3.706 3.960 0.001 0.000 0.225 265 G C -1.260 173.295 174.900 -0.574 0.000 1.250 265 G CA -0.077 44.863 45.100 -0.265 0.000 0.926 265 G HN 0.639 nan 8.290 nan 0.000 0.581 266 D N 1.590 121.741 120.400 -0.415 0.000 2.396 266 D HA 0.558 5.199 4.640 0.001 0.000 0.225 266 D C -1.063 175.116 176.300 -0.202 0.000 1.121 266 D CA -1.977 51.771 54.000 -0.420 0.000 0.853 266 D CB 1.428 42.265 40.800 0.063 0.000 1.043 266 D HN -0.007 nan 8.370 nan 0.000 0.500 267 P HA -0.060 nan 4.420 nan 0.000 0.225 267 P C 0.886 178.188 177.300 0.004 0.000 1.148 267 P CA 0.684 63.740 63.100 -0.074 0.000 0.779 267 P CB 0.256 31.924 31.700 -0.053 0.000 0.780 268 A N -0.373 122.463 122.820 0.026 0.000 2.121 268 A HA -0.120 4.200 4.320 0.001 0.000 0.218 268 A C 1.587 179.227 177.584 0.092 0.000 1.154 268 A CA 1.339 53.429 52.037 0.089 0.000 0.679 268 A CB -0.779 18.294 19.000 0.121 0.000 0.795 268 A HN 0.158 nan 8.150 nan 0.000 0.458 269 N N -0.682 118.049 118.700 0.053 0.000 2.235 269 N HA 0.142 4.882 4.740 0.001 0.000 0.231 269 N C 1.043 176.558 175.510 0.007 0.000 1.177 269 N CA 0.186 53.260 53.050 0.041 0.000 0.874 269 N CB 0.701 39.202 38.487 0.024 0.000 1.097 269 N HN 0.177 nan 8.380 nan 0.000 0.518 270 V N 0.991 120.915 119.914 0.016 0.000 2.287 270 V HA -0.229 3.892 4.120 0.001 0.000 0.248 270 V C 2.382 178.493 176.094 0.028 0.000 1.053 270 V CA 1.781 64.090 62.300 0.014 0.000 1.027 270 V CB -0.234 31.608 31.823 0.031 0.000 0.646 270 V HN 0.356 nan 8.190 nan 0.000 0.447 271 E N -0.442 119.792 120.200 0.056 0.000 2.047 271 E HA -0.231 4.120 4.350 0.001 0.000 0.191 271 E C 2.145 178.697 176.600 -0.079 0.000 0.987 271 E CA 1.480 57.905 56.400 0.042 0.000 0.799 271 E CB -0.138 29.662 29.700 0.168 0.000 0.752 271 E HN 0.511 nan 8.360 nan 0.000 0.449 272 I N 0.721 121.253 120.570 -0.065 0.000 2.286 272 I HA -0.234 3.937 4.170 0.001 0.000 0.248 272 I C 2.048 178.102 176.117 -0.105 0.000 1.115 272 I CA 1.508 62.718 61.300 -0.150 0.000 1.392 272 I CB -0.318 37.654 38.000 -0.047 0.000 1.065 272 I HN 0.075 nan 8.210 nan 0.000 0.418 273 T N 0.328 114.849 114.554 -0.055 0.000 2.684 273 T HA -0.218 4.132 4.350 0.001 0.000 0.267 273 T C 1.762 176.512 174.700 0.083 0.000 1.036 273 T CA 1.980 64.079 62.100 -0.002 0.000 1.148 273 T CB -0.335 68.519 68.868 -0.024 0.000 0.863 273 T HN 0.482 nan 8.240 nan 0.000 0.436 274 E N 0.518 120.747 120.200 0.048 0.000 2.153 274 E HA -0.024 4.327 4.350 0.001 0.000 0.194 274 E C 2.227 178.850 176.600 0.037 0.000 0.988 274 E CA 0.657 57.094 56.400 0.062 0.000 0.811 274 E CB -0.242 29.480 29.700 0.038 0.000 0.746 274 E HN 0.409 nan 8.360 nan 0.000 0.466 275 L N 0.225 121.428 121.223 -0.034 0.000 2.046 275 L HA -0.226 4.114 4.340 0.001 0.000 0.208 275 L C 2.554 179.483 176.870 0.098 0.000 1.077 275 L CA 0.776 55.609 54.840 -0.010 0.000 0.747 275 L CB -0.344 41.606 42.059 -0.182 0.000 0.896 275 L HN 0.329 nan 8.230 nan 0.000 0.432 276 C N -0.035 119.286 119.300 0.036 0.000 2.413 276 C HA -0.177 4.284 4.460 0.001 0.000 0.276 276 C C 2.702 177.835 174.990 0.238 0.000 1.236 276 C CA 0.565 59.622 59.018 0.065 0.000 1.735 276 C CB -0.678 27.010 27.740 -0.086 0.000 2.031 276 C HN 0.420 nan 8.230 nan 0.000 0.474 277 I N 0.409 121.149 120.570 0.282 0.000 2.127 277 I HA -0.294 3.877 4.170 0.001 0.000 0.241 277 I C 2.800 178.981 176.117 0.107 0.000 1.075 277 I CA 1.810 63.249 61.300 0.233 0.000 1.334 277 I CB -0.736 37.375 38.000 0.186 0.000 1.040 277 I HN 0.450 nan 8.210 nan 0.000 0.405 278 Q N 0.552 120.388 119.800 0.061 0.000 2.197 278 Q HA -0.264 4.076 4.340 0.001 0.000 0.207 278 Q C 1.250 177.164 176.000 -0.144 0.000 0.984 278 Q CA 1.802 57.577 55.803 -0.047 0.000 0.869 278 Q CB -0.095 28.599 28.738 -0.073 0.000 0.906 278 Q HN 0.616 nan 8.270 nan 0.000 0.426 279 H N -1.711 117.336 119.070 -0.038 0.000 2.567 279 H HA 0.251 4.808 4.556 0.001 0.000 0.294 279 H C 0.642 175.939 175.328 -0.052 0.000 1.050 279 H CA 0.656 56.656 56.048 -0.080 0.000 1.168 279 H CB 0.619 30.287 29.762 -0.156 0.000 1.422 279 H HN 0.504 nan 8.280 nan 0.000 0.562 280 G N -0.396 108.441 108.800 0.062 0.000 2.159 280 G HA2 -0.259 3.702 3.960 0.001 0.000 0.227 280 G HA3 -0.259 3.702 3.960 0.001 0.000 0.227 280 G C -0.077 174.887 174.900 0.106 0.000 0.986 280 G CA -0.160 44.965 45.100 0.042 0.000 0.651 280 G HN 0.387 nan 8.290 nan 0.000 0.523 281 W N 2.406 123.683 121.300 -0.038 0.000 2.238 281 W HA 0.630 5.291 4.660 0.001 0.000 0.321 281 W C 0.342 176.854 176.519 -0.012 0.000 1.293 281 W CA 0.255 57.584 57.345 -0.028 0.000 1.204 281 W CB 0.794 30.247 29.460 -0.012 0.000 1.167 281 W HN 0.062 nan 8.180 nan 0.000 0.553 282 T N 9.473 123.677 114.554 -0.583 0.000 2.723 282 T HA 0.205 4.556 4.350 0.001 0.000 0.297 282 T C -2.141 171.715 174.700 -1.407 0.000 0.925 282 T CA -0.918 60.762 62.100 -0.701 0.000 1.030 282 T CB 0.448 69.078 68.868 -0.397 0.000 0.905 282 T HN 0.217 nan 8.240 nan 0.000 0.502 283 P HA 0.307 nan 4.420 nan 0.000 0.277 283 P C 0.521 177.402 177.300 -0.698 0.000 1.240 283 P CA -0.319 61.983 63.100 -1.330 0.000 0.798 283 P CB 0.892 32.292 31.700 -0.501 0.000 0.979 284 G N 1.647 110.242 108.800 -0.342 0.000 2.494 284 G HA2 0.234 4.194 3.960 0.001 0.000 0.270 284 G HA3 0.234 4.194 3.960 0.001 0.000 0.270 284 G C 0.210 174.861 174.900 -0.415 0.000 1.423 284 G CA -0.460 44.546 45.100 -0.156 0.000 1.055 284 G HN 0.697 nan 8.290 nan 0.000 0.536 285 N N -1.193 117.366 118.700 -0.235 0.000 2.475 285 N HA 0.254 4.995 4.740 0.001 0.000 0.272 285 N C 0.187 175.691 175.510 -0.010 0.000 1.482 285 N CA 0.034 52.891 53.050 -0.322 0.000 0.863 285 N CB 0.469 38.792 38.487 -0.273 0.000 1.400 285 N HN 0.672 nan 8.380 nan 0.000 0.489 286 G N -0.084 108.820 108.800 0.175 0.000 2.552 286 G HA2 0.386 4.347 3.960 0.001 0.000 0.318 286 G HA3 0.386 4.347 3.960 0.001 0.000 0.318 286 G C 0.398 175.399 174.900 0.167 0.000 1.240 286 G CA -0.813 44.385 45.100 0.164 0.000 1.002 286 G HN 0.123 nan 8.290 nan 0.000 0.493 287 R N -1.188 119.317 120.500 0.009 0.000 2.276 287 R HA 0.124 4.465 4.340 0.001 0.000 0.196 287 R C -0.231 175.654 176.300 -0.692 0.000 0.961 287 R CA 0.673 56.597 56.100 -0.292 0.000 1.024 287 R CB 0.118 30.161 30.300 -0.428 0.000 0.940 287 R HN 0.381 nan 8.270 nan 0.000 0.480 288 F N 0.573 120.461 119.950 -0.105 0.000 2.619 288 F HA 0.237 4.765 4.527 0.001 0.000 0.382 288 F C -0.794 174.922 175.800 -0.140 0.000 1.466 288 F CA -1.195 56.468 58.000 -0.562 0.000 1.137 288 F CB 0.618 39.156 39.000 -0.770 0.000 1.205 288 F HN -0.282 nan 8.300 nan 0.000 0.525 289 D N 1.627 122.169 120.400 0.237 0.000 2.316 289 D HA 0.206 4.847 4.640 0.001 0.000 0.245 289 D C 0.239 176.781 176.300 0.403 0.000 1.171 289 D CA 0.138 54.353 54.000 0.359 0.000 0.856 289 D CB 2.062 43.139 40.800 0.460 0.000 1.090 289 D HN -0.075 nan 8.370 nan 0.000 0.476 290 V N 3.798 123.923 119.914 0.352 0.000 2.529 290 V HA -0.012 4.109 4.120 0.001 0.000 0.292 290 V C 1.036 177.126 176.094 -0.007 0.000 1.028 290 V CA -0.247 62.147 62.300 0.155 0.000 1.074 290 V CB 0.210 32.086 31.823 0.089 0.000 0.958 290 V HN 0.352 nan 8.190 nan 0.000 0.481 291 L N 8.097 129.221 121.223 -0.165 0.000 2.452 291 L HA 0.340 4.681 4.340 0.001 0.000 0.267 291 L C -1.651 174.977 176.870 -0.403 0.000 1.188 291 L CA -1.340 53.262 54.840 -0.397 0.000 0.821 291 L CB 0.886 42.746 42.059 -0.333 0.000 1.102 291 L HN 0.505 nan 8.230 nan 0.000 0.470 292 P HA 0.249 nan 4.420 nan 0.000 0.278 292 P C -1.111 176.030 177.300 -0.264 0.000 1.266 292 P CA -0.523 62.333 63.100 -0.406 0.000 0.807 292 P CB 0.912 32.259 31.700 -0.590 0.000 1.094 293 L N 0.762 121.917 121.223 -0.114 0.000 2.334 293 L HA 0.400 4.741 4.340 0.001 0.000 0.277 293 L C 0.419 177.250 176.870 -0.065 0.000 1.075 293 L CA -0.721 54.094 54.840 -0.042 0.000 0.804 293 L CB 0.458 42.565 42.059 0.079 0.000 1.174 293 L HN 0.192 nan 8.230 nan 0.000 0.438 294 L N 4.839 126.007 121.223 -0.093 0.000 2.295 294 L HA 0.491 4.832 4.340 0.001 0.000 0.281 294 L C -0.737 176.030 176.870 -0.172 0.000 1.018 294 L CA -0.223 54.477 54.840 -0.234 0.000 0.841 294 L CB 1.103 42.925 42.059 -0.394 0.000 1.218 294 L HN 0.446 nan 8.230 nan 0.000 0.424 295 L N 3.931 125.090 121.223 -0.107 0.000 2.329 295 L HA 0.530 4.871 4.340 0.001 0.000 0.279 295 L C -0.364 176.442 176.870 -0.107 0.000 1.014 295 L CA -0.439 54.381 54.840 -0.035 0.000 0.814 295 L CB 1.992 44.079 42.059 0.047 0.000 1.257 295 L HN 0.551 nan 8.230 nan 0.000 0.424 296 Q N 2.462 122.230 119.800 -0.053 0.000 2.327 296 Q HA 0.680 5.021 4.340 0.001 0.000 0.270 296 Q C -1.025 174.930 176.000 -0.075 0.000 1.022 296 Q CA -0.551 55.217 55.803 -0.059 0.000 0.773 296 Q CB 2.088 30.880 28.738 0.090 0.000 1.251 296 Q HN 0.782 nan 8.270 nan 0.000 0.457 297 A N 4.924 127.656 122.820 -0.146 0.000 2.286 297 A HA 0.632 4.953 4.320 0.001 0.000 0.286 297 A C -2.403 174.937 177.584 -0.407 0.000 1.097 297 A CA -1.578 50.235 52.037 -0.374 0.000 0.821 297 A CB 0.090 18.970 19.000 -0.200 0.000 1.076 297 A HN 0.636 nan 8.150 nan 0.000 0.490 298 P HA 0.067 nan 4.420 nan 0.000 0.261 298 P C -0.596 176.599 177.300 -0.176 0.000 1.183 298 P CA 0.752 63.631 63.100 -0.368 0.000 0.761 298 P CB 0.163 31.632 31.700 -0.385 0.000 0.785 299 D N -0.114 120.229 120.400 -0.095 0.000 3.012 299 D HA -0.157 4.484 4.640 0.001 0.000 0.222 299 D C -0.045 176.235 176.300 -0.033 0.000 1.167 299 D CA 1.279 55.254 54.000 -0.042 0.000 0.854 299 D CB -0.521 40.257 40.800 -0.037 0.000 1.107 299 D HN 0.453 nan 8.370 nan 0.000 0.421 300 E N -0.495 119.677 120.200 -0.046 0.000 2.263 300 E HA 0.686 5.037 4.350 0.001 0.000 0.264 300 E C 0.189 176.771 176.600 -0.029 0.000 0.923 300 E CA -0.737 55.639 56.400 -0.039 0.000 0.802 300 E CB 1.451 31.114 29.700 -0.061 0.000 1.228 300 E HN 0.134 nan 8.360 nan 0.000 0.417 301 A N 2.866 125.667 122.820 -0.032 0.000 2.483 301 A HA 0.335 4.656 4.320 0.001 0.000 0.238 301 A C -1.969 175.498 177.584 -0.194 0.000 1.070 301 A CA -0.770 51.231 52.037 -0.060 0.000 0.770 301 A CB -0.606 18.387 19.000 -0.011 0.000 1.008 301 A HN 0.295 nan 8.150 nan 0.000 0.497 302 P HA 0.231 nan 4.420 nan 0.000 0.272 302 P C -0.643 176.368 177.300 -0.481 0.000 1.223 302 P CA 0.030 62.754 63.100 -0.628 0.000 0.784 302 P CB 0.708 31.561 31.700 -1.411 0.000 0.923 303 E N 0.509 120.503 120.200 -0.344 0.000 2.207 303 E HA 0.447 4.798 4.350 0.001 0.000 0.270 303 E C -0.809 175.516 176.600 -0.458 0.000 0.927 303 E CA -1.087 55.097 56.400 -0.360 0.000 0.799 303 E CB 1.597 31.122 29.700 -0.291 0.000 1.172 303 E HN 0.263 nan 8.360 nan 0.000 0.404 304 L N 2.763 123.632 121.223 -0.591 0.000 2.292 304 L HA 0.423 4.764 4.340 0.001 0.000 0.284 304 L C -1.575 174.794 176.870 -0.836 0.000 1.065 304 L CA 0.127 54.662 54.840 -0.507 0.000 0.806 304 L CB 0.145 42.018 42.059 -0.309 0.000 1.175 304 L HN 0.405 nan 8.230 nan 0.000 0.431 305 F N 4.140 123.876 119.950 -0.356 0.000 2.539 305 F HA 0.459 4.987 4.527 0.001 0.000 0.318 305 F C -0.252 175.320 175.800 -0.380 0.000 1.135 305 F CA -0.944 56.714 58.000 -0.570 0.000 0.915 305 F CB 1.762 40.062 39.000 -1.167 0.000 1.176 305 F HN 0.024 nan 8.300 nan 0.000 0.440 306 V N 4.598 124.449 119.914 -0.105 0.000 2.530 306 V HA 0.205 4.326 4.120 0.001 0.000 0.282 306 V C 0.265 176.468 176.094 0.182 0.000 1.048 306 V CA -0.636 61.682 62.300 0.029 0.000 0.997 306 V CB 1.242 33.118 31.823 0.088 0.000 0.987 306 V HN 0.542 nan 8.190 nan 0.000 0.477 307 L N 7.240 128.579 121.223 0.193 0.000 2.360 307 L HA 0.287 4.628 4.340 0.001 0.000 0.276 307 L C -2.055 174.918 176.870 0.173 0.000 1.121 307 L CA -1.518 53.465 54.840 0.239 0.000 0.845 307 L CB 0.703 42.833 42.059 0.119 0.000 1.143 307 L HN 0.464 nan 8.230 nan 0.000 0.452 308 P HA 0.036 nan 4.420 nan 0.000 0.262 308 P C -2.004 175.346 177.300 0.082 0.000 1.199 308 P CA -0.874 62.296 63.100 0.117 0.000 0.763 308 P CB 0.275 32.030 31.700 0.092 0.000 0.790 309 P HA -0.248 nan 4.420 nan 0.000 0.217 309 P C 1.398 178.730 177.300 0.054 0.000 1.151 309 P CA 1.468 64.612 63.100 0.072 0.000 0.849 309 P CB -0.169 31.576 31.700 0.075 0.000 0.787 310 E N -0.158 120.069 120.200 0.045 0.000 2.338 310 E HA -0.133 4.218 4.350 0.001 0.000 0.197 310 E C 1.794 178.409 176.600 0.024 0.000 1.007 310 E CA 0.948 57.367 56.400 0.032 0.000 0.849 310 E CB -1.069 28.647 29.700 0.027 0.000 0.774 310 E HN 0.314 nan 8.360 nan 0.000 0.506 311 L N 0.980 122.217 121.223 0.024 0.000 2.341 311 L HA 0.065 4.405 4.340 0.001 0.000 0.214 311 L C 0.723 177.604 176.870 0.018 0.000 1.115 311 L CA 0.182 55.030 54.840 0.013 0.000 0.820 311 L CB 0.396 42.453 42.059 -0.003 0.000 0.944 311 L HN -0.081 nan 8.230 nan 0.000 0.452 312 V N 2.037 121.966 119.914 0.025 0.000 2.304 312 V HA 0.120 4.240 4.120 0.001 0.000 0.262 312 V C 0.078 176.199 176.094 0.044 0.000 1.061 312 V CA -0.512 61.803 62.300 0.026 0.000 0.872 312 V CB 1.091 32.922 31.823 0.013 0.000 1.077 312 V HN 0.045 nan 8.190 nan 0.000 0.480 313 L N 5.801 127.055 121.223 0.051 0.000 2.360 313 L HA 0.414 4.755 4.340 0.001 0.000 0.276 313 L C 0.206 177.112 176.870 0.060 0.000 1.121 313 L CA 0.826 55.691 54.840 0.042 0.000 0.845 313 L CB 0.395 42.473 42.059 0.032 0.000 1.143 313 L HN 0.655 nan 8.230 nan 0.000 0.452 314 E N 3.146 123.361 120.200 0.025 0.000 2.336 314 E HA 0.590 4.940 4.350 0.001 0.000 0.267 314 E C -1.473 175.076 176.600 -0.085 0.000 0.906 314 E CA -1.007 55.407 56.400 0.023 0.000 0.781 314 E CB 2.478 32.222 29.700 0.072 0.000 1.261 314 E HN 0.347 nan 8.360 nan 0.000 0.436 315 V N 2.995 122.825 119.914 -0.139 0.000 2.376 315 V HA 0.290 4.411 4.120 0.001 0.000 0.287 315 V C -2.423 173.603 176.094 -0.114 0.000 1.015 315 V CA -2.033 60.117 62.300 -0.249 0.000 0.834 315 V CB 1.224 32.624 31.823 -0.704 0.000 1.001 315 V HN 0.527 nan 8.190 nan 0.000 0.428 316 P HA 0.227 nan 4.420 nan 0.000 0.271 316 P C -0.602 176.706 177.300 0.013 0.000 1.216 316 P CA -0.002 63.072 63.100 -0.044 0.000 0.771 316 P CB 0.524 32.207 31.700 -0.029 0.000 0.864 317 L N 3.663 124.931 121.223 0.075 0.000 2.276 317 L HA 0.428 4.769 4.340 0.001 0.000 0.286 317 L C 1.040 178.068 176.870 0.262 0.000 1.061 317 L CA -0.230 54.720 54.840 0.183 0.000 0.807 317 L CB 0.544 42.777 42.059 0.289 0.000 1.177 317 L HN 0.494 nan 8.230 nan 0.000 0.429 318 E N 2.190 122.499 120.200 0.182 0.000 2.392 318 E HA 0.436 4.787 4.350 0.001 0.000 0.269 318 E C -1.272 175.314 176.600 -0.022 0.000 0.924 318 E CA -0.926 55.579 56.400 0.174 0.000 0.784 318 E CB 2.272 32.062 29.700 0.150 0.000 1.292 318 E HN 0.470 nan 8.360 nan 0.000 0.447 319 H N 1.399 120.304 119.070 -0.274 0.000 2.469 319 H HA 0.246 4.803 4.556 0.001 0.000 0.342 319 H C -1.849 173.178 175.328 -0.502 0.000 1.115 319 H CA -2.393 53.349 56.048 -0.511 0.000 1.204 319 H CB 2.086 31.424 29.762 -0.708 0.000 1.492 319 H HN 0.437 nan 8.280 nan 0.000 0.499 320 P HA -0.122 nan 4.420 nan 0.000 0.218 320 P C 1.009 178.091 177.300 -0.364 0.000 1.149 320 P CA 1.687 64.233 63.100 -0.924 0.000 0.817 320 P CB 0.375 31.515 31.700 -0.933 0.000 0.785 321 T N -4.683 109.794 114.554 -0.128 0.000 2.954 321 T HA 0.208 4.559 4.350 0.001 0.000 0.252 321 T C 0.768 175.456 174.700 -0.021 0.000 0.983 321 T CA -0.189 61.901 62.100 -0.016 0.000 0.941 321 T CB -0.602 68.271 68.868 0.007 0.000 1.141 321 T HN -0.073 nan 8.240 nan 0.000 0.500 322 L N 3.387 124.603 121.223 -0.013 0.000 2.282 322 L HA 0.395 4.736 4.340 0.001 0.000 0.287 322 L C 1.368 177.917 176.870 -0.536 0.000 1.075 322 L CA -0.706 53.820 54.840 -0.523 0.000 0.839 322 L CB 0.991 42.365 42.059 -1.142 0.000 1.219 322 L HN 0.261 nan 8.230 nan 0.000 0.434 323 E N 3.211 123.213 120.200 -0.331 0.000 2.085 323 E HA -0.247 4.104 4.350 0.001 0.000 0.194 323 E C 1.688 178.244 176.600 -0.072 0.000 0.994 323 E CA 1.402 57.722 56.400 -0.134 0.000 0.801 323 E CB -0.293 29.403 29.700 -0.007 0.000 0.743 323 E HN 0.751 nan 8.360 nan 0.000 0.453 324 W N 0.041 121.396 121.300 0.090 0.000 2.525 324 W HA 0.034 4.695 4.660 0.001 0.000 0.259 324 W C 1.264 177.843 176.519 0.100 0.000 1.253 324 W CA -0.028 57.360 57.345 0.071 0.000 1.262 324 W CB -0.883 28.598 29.460 0.034 0.000 1.122 324 W HN -0.021 nan 8.180 nan 0.000 0.607 325 F N 2.956 122.731 119.950 -0.292 0.000 2.134 325 F HA -0.079 4.449 4.527 0.001 0.000 0.299 325 F C 2.698 178.529 175.800 0.051 0.000 1.097 325 F CA 2.668 60.592 58.000 -0.127 0.000 1.264 325 F CB -0.694 38.076 39.000 -0.383 0.000 1.001 325 F HN -0.085 nan 8.300 nan 0.000 0.479 326 A N 0.117 123.100 122.820 0.272 0.000 1.986 326 A HA -0.131 4.190 4.320 0.001 0.000 0.220 326 A C 2.267 179.928 177.584 0.128 0.000 1.171 326 A CA 1.694 53.851 52.037 0.200 0.000 0.640 326 A CB -1.466 17.615 19.000 0.134 0.000 0.811 326 A HN 0.438 nan 8.150 nan 0.000 0.451 327 A N -0.689 122.211 122.820 0.133 0.000 2.206 327 A HA 0.250 4.571 4.320 0.001 0.000 0.211 327 A C 1.841 179.468 177.584 0.073 0.000 1.158 327 A CA 0.663 52.764 52.037 0.106 0.000 0.761 327 A CB -0.514 18.564 19.000 0.129 0.000 0.801 327 A HN 0.483 nan 8.150 nan 0.000 0.473 328 L N -1.097 120.143 121.223 0.030 0.000 2.275 328 L HA -0.015 4.325 4.340 0.001 0.000 0.215 328 L C 1.840 178.724 176.870 0.022 0.000 1.119 328 L CA 0.766 55.588 54.840 -0.030 0.000 0.790 328 L CB -0.531 41.392 42.059 -0.226 0.000 0.919 328 L HN 0.581 nan 8.230 nan 0.000 0.443 329 G N 0.213 109.034 108.800 0.035 0.000 2.176 329 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 329 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 329 G C -0.077 174.833 174.900 0.016 0.000 1.024 329 G CA -0.257 44.874 45.100 0.051 0.000 0.755 329 G HN 0.079 nan 8.290 nan 0.000 0.507 330 L N 0.472 121.676 121.223 -0.032 0.000 2.395 330 L HA 0.782 5.123 4.340 0.001 0.000 0.269 330 L C 1.043 177.707 176.870 -0.344 0.000 1.133 330 L CA -0.412 54.324 54.840 -0.173 0.000 0.812 330 L CB 1.005 43.067 42.059 0.005 0.000 1.125 330 L HN 0.618 nan 8.230 nan 0.000 0.452 331 R N 1.843 121.885 120.500 -0.763 0.000 2.734 331 R HA 0.533 4.873 4.340 0.001 0.000 0.271 331 R C -1.755 174.471 176.300 -0.123 0.000 1.021 331 R CA -0.905 54.946 56.100 -0.416 0.000 0.893 331 R CB 1.886 31.921 30.300 -0.442 0.000 1.244 331 R HN 0.588 nan 8.270 nan 0.000 0.464 332 W N 1.979 123.231 121.300 -0.081 0.000 3.083 332 W HA 0.363 5.024 4.660 0.002 0.000 0.333 332 W C -1.070 175.523 176.519 0.124 0.000 1.217 332 W CA -1.045 56.337 57.345 0.061 0.000 1.170 332 W CB 2.079 31.505 29.460 -0.057 0.000 1.437 332 W HN 0.688 nan 8.180 nan 0.000 0.557 333 Y N 1.085 121.319 120.300 -0.109 0.000 2.326 333 Y HA 0.518 5.069 4.550 0.001 0.000 0.333 333 Y C 0.827 176.955 175.900 0.379 0.000 1.240 333 Y CA 0.059 58.173 58.100 0.022 0.000 1.365 333 Y CB 0.211 38.545 38.460 -0.209 0.000 1.289 333 Y HN 0.370 nan 8.280 nan 0.000 0.548 334 A N 2.399 125.479 122.820 0.433 0.000 1.968 334 A HA 0.020 4.340 4.320 0.001 0.000 0.217 334 A C 0.575 178.501 177.584 0.570 0.000 1.169 334 A CA 0.598 52.924 52.037 0.481 0.000 0.638 334 A CB -0.349 18.785 19.000 0.225 0.000 0.812 334 A HN 0.675 nan 8.150 nan 0.000 0.446 335 L N 1.845 123.364 121.223 0.494 0.000 2.262 335 L HA 0.426 4.767 4.340 0.001 0.000 0.288 335 L C -2.590 174.429 176.870 0.248 0.000 1.035 335 L CA -2.384 52.637 54.840 0.302 0.000 0.820 335 L CB 1.530 43.701 42.059 0.186 0.000 1.204 335 L HN -0.032 nan 8.230 nan 0.000 0.424 336 P HA 0.330 nan 4.420 nan 0.000 0.286 336 P C -1.363 175.847 177.300 -0.150 0.000 1.321 336 P CA -0.311 62.652 63.100 -0.228 0.000 0.790 336 P CB 1.315 32.511 31.700 -0.841 0.000 0.897 337 A N 4.426 127.163 122.820 -0.139 0.000 2.702 337 A HA 0.399 4.720 4.320 0.001 0.000 0.305 337 A C -0.355 177.012 177.584 -0.363 0.000 1.213 337 A CA -0.618 51.273 52.037 -0.242 0.000 0.745 337 A CB 0.634 19.522 19.000 -0.187 0.000 1.161 337 A HN 0.293 nan 8.150 nan 0.000 0.445 338 V N 2.697 122.222 119.914 -0.649 0.000 2.508 338 V HA 0.278 4.399 4.120 0.001 0.000 0.281 338 V C 1.262 176.979 176.094 -0.628 0.000 1.041 338 V CA 1.117 62.999 62.300 -0.696 0.000 1.016 338 V CB 1.145 32.372 31.823 -0.992 0.000 0.984 338 V HN 1.069 nan 8.190 nan 0.000 0.478 339 S N 1.905 117.426 115.700 -0.297 0.000 2.666 339 S HA 0.043 4.514 4.470 0.001 0.000 0.239 339 S C 0.817 175.390 174.600 -0.046 0.000 1.031 339 S CA 0.121 58.231 58.200 -0.150 0.000 1.015 339 S CB -0.357 62.785 63.200 -0.096 0.000 0.981 339 S HN 0.908 nan 8.310 nan 0.000 0.547 340 N N 0.407 119.075 118.700 -0.055 0.000 2.187 340 N HA 0.297 5.037 4.740 0.001 0.000 0.212 340 N C 0.118 175.595 175.510 -0.055 0.000 1.152 340 N CA -0.498 52.525 53.050 -0.045 0.000 0.872 340 N CB 0.119 38.567 38.487 -0.065 0.000 1.025 340 N HN 0.270 nan 8.380 nan 0.000 0.514 341 M N 1.318 120.945 119.600 0.045 0.000 2.342 341 M HA 0.300 4.781 4.480 0.001 0.000 0.332 341 M C -0.549 175.872 176.300 0.201 0.000 1.166 341 M CA -0.857 54.526 55.300 0.139 0.000 1.086 341 M CB 2.408 35.186 32.600 0.296 0.000 1.541 341 M HN 0.111 nan 8.290 nan 0.000 0.462 342 L N 2.975 124.299 121.223 0.167 0.000 2.292 342 L HA 0.465 4.806 4.340 0.001 0.000 0.284 342 L C -1.171 175.812 176.870 0.188 0.000 1.065 342 L CA -0.764 54.165 54.840 0.149 0.000 0.806 342 L CB 0.941 43.034 42.059 0.057 0.000 1.175 342 L HN 0.588 nan 8.230 nan 0.000 0.431 343 L N 5.398 126.720 121.223 0.164 0.000 2.265 343 L HA 0.447 4.788 4.340 0.001 0.000 0.289 343 L C -0.521 176.360 176.870 0.019 0.000 1.033 343 L CA 0.183 55.006 54.840 -0.028 0.000 0.814 343 L CB 1.145 43.164 42.059 -0.066 0.000 1.203 343 L HN 0.619 nan 8.230 nan 0.000 0.423 344 E N 6.498 126.635 120.200 -0.105 0.000 2.133 344 E HA 0.391 4.742 4.350 0.001 0.000 0.274 344 E C -1.570 174.948 176.600 -0.137 0.000 0.930 344 E CA -0.432 55.923 56.400 -0.075 0.000 0.770 344 E CB 1.132 30.788 29.700 -0.073 0.000 1.104 344 E HN 0.739 nan 8.360 nan 0.000 0.403 345 I N 2.756 123.254 120.570 -0.120 0.000 2.468 345 I HA 0.271 4.441 4.170 0.001 0.000 0.285 345 I C 0.809 176.709 176.117 -0.360 0.000 1.039 345 I CA -0.562 60.539 61.300 -0.331 0.000 1.074 345 I CB 1.993 39.742 38.000 -0.418 0.000 1.228 345 I HN 0.795 nan 8.210 nan 0.000 0.436 346 G N 4.187 112.793 108.800 -0.323 0.000 2.283 346 G HA2 -0.125 3.836 3.960 0.001 0.000 0.280 346 G HA3 -0.125 3.836 3.960 0.001 0.000 0.280 346 G C 1.023 175.984 174.900 0.102 0.000 1.029 346 G CA 0.733 45.825 45.100 -0.013 0.000 0.840 346 G HN 1.546 nan 8.290 nan 0.000 0.505 347 G N -1.994 106.815 108.800 0.014 0.000 2.241 347 G HA2 -0.234 3.726 3.960 0.001 0.000 0.244 347 G HA3 -0.234 3.726 3.960 0.001 0.000 0.244 347 G C 0.527 175.380 174.900 -0.078 0.000 0.998 347 G CA 0.470 45.579 45.100 0.014 0.000 0.621 347 G HN 1.296 nan 8.290 nan 0.000 0.519 348 L N 0.910 122.032 121.223 -0.169 0.000 2.375 348 L HA 0.607 4.948 4.340 0.001 0.000 0.271 348 L C 0.264 176.905 176.870 -0.382 0.000 1.107 348 L CA -0.402 54.218 54.840 -0.366 0.000 0.806 348 L CB 1.037 42.770 42.059 -0.544 0.000 1.146 348 L HN 0.213 nan 8.230 nan 0.000 0.447 349 E N 2.504 122.398 120.200 -0.510 0.000 2.199 349 E HA 0.384 4.735 4.350 0.001 0.000 0.265 349 E C -1.563 174.748 176.600 -0.482 0.000 0.882 349 E CA -0.434 55.762 56.400 -0.339 0.000 0.759 349 E CB 1.830 31.424 29.700 -0.177 0.000 1.148 349 E HN 0.261 nan 8.360 nan 0.000 0.412 350 F N 1.852 121.770 119.950 -0.053 0.000 2.308 350 F HA 0.115 4.643 4.527 0.001 0.000 0.370 350 F C 1.467 177.295 175.800 0.046 0.000 1.100 350 F CA -0.557 57.438 58.000 -0.008 0.000 1.108 350 F CB 1.258 40.238 39.000 -0.032 0.000 1.293 350 F HN 0.432 nan 8.300 nan 0.000 0.478 351 S N 1.261 117.060 115.700 0.166 0.000 2.489 351 S HA 0.285 4.756 4.470 0.001 0.000 0.228 351 S C 0.760 175.469 174.600 0.183 0.000 0.995 351 S CA 0.258 58.541 58.200 0.138 0.000 0.934 351 S CB 0.071 63.328 63.200 0.095 0.000 0.771 351 S HN 0.505 nan 8.310 nan 0.000 0.522 352 A N 0.540 123.518 122.820 0.263 0.000 2.375 352 A HA 0.840 5.160 4.320 0.001 0.000 0.291 352 A C -0.188 177.629 177.584 0.388 0.000 1.160 352 A CA -0.230 51.989 52.037 0.304 0.000 0.747 352 A CB 1.084 20.250 19.000 0.277 0.000 1.170 352 A HN 0.983 nan 8.150 nan 0.000 0.458 353 A N 4.082 127.086 122.820 0.306 0.000 3.464 353 A HA 0.610 4.931 4.320 0.001 0.000 0.243 353 A C -3.062 174.674 177.584 0.253 0.000 1.100 353 A CA -0.831 51.353 52.037 0.246 0.000 0.957 353 A CB 0.313 19.452 19.000 0.232 0.000 1.340 353 A HN 0.513 nan 8.150 nan 0.000 0.645 354 P HA 0.482 nan 4.420 nan 0.000 0.271 354 P C -0.690 176.645 177.300 0.058 0.000 1.216 354 P CA 0.321 63.409 63.100 -0.019 0.000 0.776 354 P CB 0.378 32.011 31.700 -0.112 0.000 0.881 355 F N -0.541 119.367 119.950 -0.069 0.000 2.603 355 F HA 0.801 5.329 4.527 0.001 0.000 0.317 355 F C -0.684 175.063 175.800 -0.089 0.000 1.066 355 F CA -1.181 56.791 58.000 -0.047 0.000 0.941 355 F CB 1.622 40.490 39.000 -0.220 0.000 1.291 355 F HN 0.412 nan 8.300 nan 0.000 0.472 356 S N 0.062 115.880 115.700 0.196 0.000 2.556 356 S HA 0.913 5.383 4.470 0.001 0.000 0.271 356 S C -0.767 173.825 174.600 -0.013 0.000 1.135 356 S CA -0.171 58.070 58.200 0.068 0.000 0.858 356 S CB 1.410 64.710 63.200 0.167 0.000 1.114 356 S HN 1.462 nan 8.310 nan 0.000 0.468 357 G N 0.224 108.964 108.800 -0.100 0.000 3.359 357 G HA2 0.753 4.714 3.960 0.001 0.000 0.187 357 G HA3 0.753 4.714 3.960 0.001 0.000 0.187 357 G C -1.363 173.561 174.900 0.039 0.000 1.294 357 G CA -0.345 44.633 45.100 -0.205 0.000 0.769 357 G HN 1.124 nan 8.290 nan 0.000 0.733 358 W N -1.602 119.708 121.300 0.017 0.000 3.029 358 W HA 0.806 5.467 4.660 0.001 0.000 0.339 358 W C -1.732 174.792 176.519 0.008 0.000 1.198 358 W CA -2.117 55.250 57.345 0.036 0.000 1.148 358 W CB 0.502 30.026 29.460 0.106 0.000 1.451 358 W HN 0.372 nan 8.180 nan 0.000 0.564 359 Y N 2.677 123.166 120.300 0.316 0.000 2.336 359 Y HA 0.255 4.806 4.550 0.001 0.000 0.331 359 Y C 0.923 176.892 175.900 0.115 0.000 1.211 359 Y CA -0.635 57.535 58.100 0.116 0.000 1.346 359 Y CB 1.137 39.575 38.460 -0.037 0.000 1.271 359 Y HN 0.433 nan 8.280 nan 0.000 0.538 360 M N 2.497 122.251 119.600 0.257 0.000 2.188 360 M HA 0.159 4.640 4.480 0.001 0.000 0.357 360 M C 1.064 177.372 176.300 0.014 0.000 1.204 360 M CA -0.155 55.226 55.300 0.135 0.000 1.095 360 M CB 0.980 33.636 32.600 0.093 0.000 1.604 360 M HN 0.854 nan 8.290 nan 0.000 0.464 361 S N 1.321 116.987 115.700 -0.057 0.000 2.419 361 S HA -0.155 4.316 4.470 0.001 0.000 0.235 361 S C 1.451 175.915 174.600 -0.227 0.000 1.019 361 S CA 1.832 59.912 58.200 -0.201 0.000 0.982 361 S CB -1.157 61.953 63.200 -0.150 0.000 0.789 361 S HN 0.917 nan 8.310 nan 0.000 0.490 362 T N 0.214 114.667 114.554 -0.168 0.000 2.915 362 T HA -0.043 4.308 4.350 0.001 0.000 0.269 362 T C 1.642 176.194 174.700 -0.248 0.000 1.071 362 T CA 1.203 63.159 62.100 -0.241 0.000 1.132 362 T CB -0.520 68.162 68.868 -0.309 0.000 0.878 362 T HN 0.680 nan 8.240 nan 0.000 0.479 363 E N 1.083 121.157 120.200 -0.211 0.000 2.110 363 E HA -0.079 4.272 4.350 0.001 0.000 0.193 363 E C 1.940 178.293 176.600 -0.412 0.000 0.988 363 E CA 1.018 57.294 56.400 -0.206 0.000 0.804 363 E CB -0.338 29.356 29.700 -0.009 0.000 0.745 363 E HN 0.670 nan 8.360 nan 0.000 0.458 364 I N 0.051 120.246 120.570 -0.626 0.000 2.270 364 I HA -0.005 4.166 4.170 0.001 0.000 0.239 364 I C 2.569 178.341 176.117 -0.576 0.000 1.080 364 I CA 0.912 61.666 61.300 -0.910 0.000 1.383 364 I CB -0.580 36.761 38.000 -1.099 0.000 1.097 364 I HN 0.229 nan 8.210 nan 0.000 0.420 365 G N 0.256 108.820 108.800 -0.393 0.000 2.418 365 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 365 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 365 G C 1.641 176.431 174.900 -0.184 0.000 1.158 365 G CA 1.507 46.469 45.100 -0.232 0.000 0.771 365 G HN 0.295 nan 8.290 nan 0.000 0.545 366 T N 0.050 114.476 114.554 -0.212 0.000 2.904 366 T HA 0.093 4.444 4.350 0.001 0.000 0.243 366 T C 2.548 177.147 174.700 -0.167 0.000 1.024 366 T CA 0.360 62.356 62.100 -0.173 0.000 1.158 366 T CB 0.056 68.805 68.868 -0.199 0.000 0.867 366 T HN 0.014 nan 8.240 nan 0.000 0.429 367 R N 1.888 122.268 120.500 -0.201 0.000 2.052 367 R HA 0.172 4.513 4.340 0.001 0.000 0.226 367 R C 2.180 178.375 176.300 -0.176 0.000 1.145 367 R CA 1.019 57.012 56.100 -0.178 0.000 0.952 367 R CB -1.157 29.039 30.300 -0.174 0.000 0.847 367 R HN 0.309 nan 8.270 nan 0.000 0.431 368 N N 0.919 119.466 118.700 -0.255 0.000 2.142 368 N HA -0.062 4.679 4.740 0.001 0.000 0.186 368 N C 1.952 177.407 175.510 -0.092 0.000 1.023 368 N CA 1.057 53.965 53.050 -0.237 0.000 0.852 368 N CB -0.165 37.884 38.487 -0.731 0.000 0.998 368 N HN 0.172 nan 8.380 nan 0.000 0.424 369 L N -0.925 120.194 121.223 -0.174 0.000 2.354 369 L HA 0.099 4.440 4.340 0.001 0.000 0.212 369 L C 1.504 178.400 176.870 0.042 0.000 1.091 369 L CA 0.372 55.202 54.840 -0.017 0.000 0.828 369 L CB 0.180 42.203 42.059 -0.061 0.000 0.973 369 L HN 0.141 nan 8.230 nan 0.000 0.461 370 C N -1.590 117.698 119.300 -0.020 0.000 2.865 370 C HA 0.156 4.616 4.460 0.001 0.000 0.280 370 C C 0.727 175.709 174.990 -0.013 0.000 1.255 370 C CA -0.929 58.089 59.018 -0.000 0.000 1.705 370 C CB -0.339 27.389 27.740 -0.021 0.000 2.080 370 C HN 0.306 nan 8.230 nan 0.000 0.591 371 D N 2.515 122.879 120.400 -0.060 0.000 2.525 371 D HA 0.033 4.674 4.640 0.001 0.000 0.235 371 D C -1.404 174.880 176.300 -0.026 0.000 1.137 371 D CA -0.844 53.105 54.000 -0.085 0.000 0.868 371 D CB 0.543 41.164 40.800 -0.298 0.000 1.180 371 D HN 0.172 nan 8.370 nan 0.000 0.465 372 P HA -0.126 nan 4.420 nan 0.000 0.218 372 P C 0.721 178.105 177.300 0.139 0.000 1.149 372 P CA 1.195 64.366 63.100 0.118 0.000 0.817 372 P CB -0.016 31.766 31.700 0.137 0.000 0.785 373 H N -2.424 116.655 119.070 0.016 0.000 2.538 373 H HA 0.343 4.900 4.556 0.001 0.000 0.286 373 H C 0.868 176.203 175.328 0.011 0.000 1.035 373 H CA -0.095 55.960 56.048 0.012 0.000 1.169 373 H CB -0.038 29.731 29.762 0.011 0.000 1.417 373 H HN -0.016 nan 8.280 nan 0.000 0.567 374 R N -0.208 120.185 120.500 -0.178 0.000 2.845 374 R HA 0.179 4.520 4.340 0.001 0.000 0.112 374 R C 1.049 177.311 176.300 -0.063 0.000 1.012 374 R CA -0.662 55.361 56.100 -0.127 0.000 0.744 374 R CB -0.783 29.458 30.300 -0.098 0.000 0.926 374 R HN 0.110 nan 8.270 nan 0.000 0.376 375 Y N 1.696 122.011 120.300 0.024 0.000 2.439 375 Y HA -0.004 4.547 4.550 0.001 0.000 0.292 375 Y C 0.758 176.682 175.900 0.042 0.000 1.130 375 Y CA 1.169 59.300 58.100 0.052 0.000 1.254 375 Y CB -0.132 38.398 38.460 0.117 0.000 1.000 375 Y HN 0.547 nan 8.280 nan 0.000 0.554 376 N N 0.981 119.774 118.700 0.155 0.000 2.714 376 N HA -0.222 4.519 4.740 0.001 0.000 0.253 376 N C 0.505 176.091 175.510 0.128 0.000 1.024 376 N CA 0.419 53.534 53.050 0.108 0.000 0.726 376 N CB -1.058 37.476 38.487 0.078 0.000 0.908 376 N HN 0.644 nan 8.380 nan 0.000 0.542 377 I N -3.393 117.261 120.570 0.141 0.000 3.793 377 I HA 0.006 4.176 4.170 0.001 0.000 0.315 377 I C 1.764 177.967 176.117 0.143 0.000 1.275 377 I CA -0.435 60.945 61.300 0.134 0.000 1.214 377 I CB -0.044 38.034 38.000 0.131 0.000 1.018 377 I HN 0.057 nan 8.210 nan 0.000 0.439 378 L N 1.695 123.015 121.223 0.163 0.000 2.010 378 L HA -0.252 4.089 4.340 0.001 0.000 0.219 378 L C 2.649 179.716 176.870 0.329 0.000 1.077 378 L CA 1.940 56.917 54.840 0.230 0.000 0.773 378 L CB -1.305 40.874 42.059 0.200 0.000 0.892 378 L HN 0.444 nan 8.230 nan 0.000 0.436 379 E N -0.755 119.628 120.200 0.305 0.000 2.077 379 E HA -0.224 4.126 4.350 0.001 0.000 0.193 379 E C 1.750 178.368 176.600 0.030 0.000 0.989 379 E CA 1.409 57.908 56.400 0.165 0.000 0.800 379 E CB 0.059 29.808 29.700 0.082 0.000 0.746 379 E HN 0.540 nan 8.360 nan 0.000 0.452 380 D N -0.081 120.345 120.400 0.042 0.000 2.117 380 D HA -0.123 4.517 4.640 0.001 0.000 0.198 380 D C 2.088 178.369 176.300 -0.030 0.000 0.982 380 D CA 0.691 54.682 54.000 -0.015 0.000 0.828 380 D CB -0.244 40.556 40.800 -0.001 0.000 0.967 380 D HN 0.057 nan 8.370 nan 0.000 0.464 381 V N 1.481 121.431 119.914 0.060 0.000 2.358 381 V HA -0.210 3.910 4.120 0.001 0.000 0.246 381 V C 2.532 178.692 176.094 0.110 0.000 1.047 381 V CA 1.740 64.119 62.300 0.131 0.000 1.035 381 V CB -0.761 31.215 31.823 0.254 0.000 0.658 381 V HN 0.176 nan 8.190 nan 0.000 0.452 382 A N -0.296 122.604 122.820 0.134 0.000 1.933 382 A HA -0.148 4.173 4.320 0.001 0.000 0.218 382 A C 2.367 179.921 177.584 -0.049 0.000 1.175 382 A CA 2.027 54.138 52.037 0.123 0.000 0.628 382 A CB -0.578 18.578 19.000 0.260 0.000 0.814 382 A HN 0.353 nan 8.150 nan 0.000 0.444 383 V N -0.784 119.049 119.914 -0.135 0.000 2.358 383 V HA -0.286 3.835 4.120 0.001 0.000 0.246 383 V C 2.589 178.521 176.094 -0.270 0.000 1.047 383 V CA 1.906 64.087 62.300 -0.199 0.000 1.035 383 V CB -1.109 30.596 31.823 -0.196 0.000 0.658 383 V HN 0.708 nan 8.190 nan 0.000 0.452 384 C N -0.278 118.783 119.300 -0.397 0.000 2.410 384 C HA -0.165 4.296 4.460 0.001 0.000 0.281 384 C C 2.662 177.236 174.990 -0.692 0.000 1.318 384 C CA 1.001 59.529 59.018 -0.817 0.000 1.776 384 C CB -1.142 25.697 27.740 -1.501 0.000 1.942 384 C HN 0.524 nan 8.230 nan 0.000 0.508 385 M N -0.154 119.296 119.600 -0.249 0.000 2.595 385 M HA 0.018 4.499 4.480 0.001 0.000 0.248 385 M C 0.623 176.920 176.300 -0.005 0.000 1.119 385 M CA 0.935 56.261 55.300 0.043 0.000 1.079 385 M CB -0.324 32.384 32.600 0.180 0.000 1.472 385 M HN 0.269 nan 8.290 nan 0.000 0.501 386 D N 0.937 121.282 120.400 -0.093 0.000 2.907 386 D HA -0.143 4.498 4.640 0.001 0.000 0.226 386 D C -0.797 175.476 176.300 -0.044 0.000 1.141 386 D CA 0.406 54.358 54.000 -0.079 0.000 0.779 386 D CB -0.929 39.834 40.800 -0.061 0.000 1.095 386 D HN 0.285 nan 8.370 nan 0.000 0.430 387 L N -0.120 121.082 121.223 -0.035 0.000 2.439 387 L HA 0.331 4.672 4.340 0.001 0.000 0.261 387 L C 0.968 177.790 176.870 -0.079 0.000 1.153 387 L CA -0.649 54.190 54.840 -0.001 0.000 0.808 387 L CB 0.523 42.638 42.059 0.094 0.000 1.126 387 L HN 0.040 nan 8.230 nan 0.000 0.460 388 D N 0.558 120.933 120.400 -0.042 0.000 2.344 388 D HA 0.033 4.673 4.640 0.001 0.000 0.253 388 D C 0.518 176.679 176.300 -0.231 0.000 1.255 388 D CA 0.093 54.037 54.000 -0.094 0.000 0.894 388 D CB 1.017 41.807 40.800 -0.016 0.000 1.067 388 D HN 0.439 nan 8.370 nan 0.000 0.492 389 T N 3.782 118.058 114.554 -0.464 0.000 3.107 389 T HA 0.073 4.424 4.350 0.001 0.000 0.249 389 T C 1.745 176.156 174.700 -0.481 0.000 1.096 389 T CA 0.056 61.560 62.100 -0.992 0.000 1.012 389 T CB 0.217 68.419 68.868 -1.110 0.000 0.977 389 T HN 0.339 nan 8.240 nan 0.000 0.527 390 R N 0.790 121.173 120.500 -0.195 0.000 2.153 390 R HA 0.097 4.437 4.340 0.001 0.000 0.218 390 R C 1.127 177.457 176.300 0.051 0.000 1.072 390 R CA 0.660 56.722 56.100 -0.062 0.000 0.990 390 R CB 0.215 30.487 30.300 -0.047 0.000 0.889 390 R HN 0.151 nan 8.270 nan 0.000 0.452 391 T N -1.383 113.244 114.554 0.122 0.000 2.900 391 T HA 0.125 4.476 4.350 0.001 0.000 0.295 391 T C 1.066 175.948 174.700 0.304 0.000 1.044 391 T CA -0.651 61.554 62.100 0.174 0.000 0.995 391 T CB 1.892 70.823 68.868 0.104 0.000 1.072 391 T HN 0.183 nan 8.240 nan 0.000 0.473 392 T N 0.406 115.085 114.554 0.208 0.000 2.995 392 T HA -0.044 4.307 4.350 0.001 0.000 0.269 392 T C 1.985 176.725 174.700 0.067 0.000 1.091 392 T CA 1.346 63.517 62.100 0.118 0.000 1.128 392 T CB -0.521 68.367 68.868 0.034 0.000 0.891 392 T HN 0.652 nan 8.240 nan 0.000 0.492 393 S N 2.014 117.765 115.700 0.085 0.000 2.522 393 S HA -0.016 4.454 4.470 0.001 0.000 0.227 393 S C 2.086 176.728 174.600 0.070 0.000 0.986 393 S CA 0.583 58.816 58.200 0.056 0.000 0.929 393 S CB -0.673 62.554 63.200 0.046 0.000 0.769 393 S HN 0.707 nan 8.310 nan 0.000 0.529 394 S N 1.761 117.535 115.700 0.124 0.000 2.561 394 S HA 0.202 4.673 4.470 0.001 0.000 0.225 394 S C 0.974 175.652 174.600 0.129 0.000 0.977 394 S CA 0.145 58.428 58.200 0.137 0.000 0.926 394 S CB -1.012 62.301 63.200 0.189 0.000 0.769 394 S HN 0.599 nan 8.310 nan 0.000 0.533 395 L N 0.643 121.907 121.223 0.068 0.000 3.843 395 L HA -0.189 4.151 4.340 0.001 0.000 0.411 395 L C 1.723 178.594 176.870 0.001 0.000 1.205 395 L CA 0.763 55.589 54.840 -0.024 0.000 0.945 395 L CB -2.524 39.530 42.059 -0.008 0.000 1.929 395 L HN 0.756 nan 8.230 nan 0.000 0.934 396 W N 0.277 121.588 121.300 0.017 0.000 2.342 396 W HA -0.196 4.465 4.660 0.001 0.000 0.297 396 W C 1.731 178.265 176.519 0.026 0.000 1.213 396 W CA 1.488 58.846 57.345 0.021 0.000 1.251 396 W CB -0.745 28.724 29.460 0.016 0.000 1.136 396 W HN 0.288 nan 8.180 nan 0.000 0.526 397 K N 1.028 120.980 120.400 -0.748 0.000 2.057 397 K HA -0.167 4.153 4.320 0.001 0.000 0.207 397 K C 1.541 178.005 176.600 -0.227 0.000 1.049 397 K CA 2.371 58.280 56.287 -0.630 0.000 0.931 397 K CB -0.404 31.587 32.500 -0.848 0.000 0.714 397 K HN 0.071 nan 8.250 nan 0.000 0.440 398 D N 0.711 120.998 120.400 -0.189 0.000 2.117 398 D HA -0.124 4.517 4.640 0.001 0.000 0.197 398 D C 1.678 177.969 176.300 -0.015 0.000 0.987 398 D CA 1.199 55.146 54.000 -0.088 0.000 0.829 398 D CB 0.037 40.792 40.800 -0.075 0.000 0.961 398 D HN 0.128 nan 8.370 nan 0.000 0.460 399 K N 0.489 120.904 120.400 0.026 0.000 2.025 399 K HA 0.010 4.331 4.320 0.001 0.000 0.207 399 K C 2.236 178.899 176.600 0.105 0.000 1.049 399 K CA 1.072 57.405 56.287 0.076 0.000 0.933 399 K CB -0.157 32.408 32.500 0.108 0.000 0.714 399 K HN 0.084 nan 8.250 nan 0.000 0.438 400 A N 1.665 124.569 122.820 0.140 0.000 1.902 400 A HA -0.136 4.185 4.320 0.001 0.000 0.217 400 A C 2.393 180.056 177.584 0.131 0.000 1.181 400 A CA 1.896 54.040 52.037 0.178 0.000 0.623 400 A CB -0.726 18.419 19.000 0.242 0.000 0.818 400 A HN 0.338 nan 8.150 nan 0.000 0.443 401 A N -0.476 122.383 122.820 0.065 0.000 1.883 401 A HA -0.040 4.281 4.320 0.001 0.000 0.217 401 A C 2.240 179.842 177.584 0.030 0.000 1.186 401 A CA 1.894 53.947 52.037 0.027 0.000 0.624 401 A CB -1.073 17.907 19.000 -0.033 0.000 0.822 401 A HN 0.422 nan 8.150 nan 0.000 0.444 402 V N 0.471 120.407 119.914 0.036 0.000 2.287 402 V HA -0.263 3.858 4.120 0.001 0.000 0.248 402 V C 2.583 178.717 176.094 0.067 0.000 1.053 402 V CA 2.272 64.601 62.300 0.048 0.000 1.027 402 V CB -0.804 31.052 31.823 0.056 0.000 0.646 402 V HN 0.536 nan 8.190 nan 0.000 0.447 403 E N -0.159 120.099 120.200 0.097 0.000 2.110 403 E HA -0.168 4.183 4.350 0.001 0.000 0.193 403 E C 2.099 178.752 176.600 0.087 0.000 0.988 403 E CA 1.306 57.779 56.400 0.122 0.000 0.804 403 E CB -0.367 29.387 29.700 0.090 0.000 0.745 403 E HN 0.610 nan 8.360 nan 0.000 0.458 404 I N 1.250 121.892 120.570 0.121 0.000 2.202 404 I HA -0.289 3.882 4.170 0.001 0.000 0.242 404 I C 1.835 177.957 176.117 0.008 0.000 1.091 404 I CA 1.116 62.495 61.300 0.131 0.000 1.368 404 I CB -0.315 37.798 38.000 0.188 0.000 1.058 404 I HN 0.054 nan 8.210 nan 0.000 0.410 405 N N 0.564 119.259 118.700 -0.008 0.000 2.104 405 N HA -0.212 4.529 4.740 0.001 0.000 0.190 405 N C 1.724 177.209 175.510 -0.043 0.000 1.024 405 N CA 1.045 54.070 53.050 -0.042 0.000 0.853 405 N CB -0.231 38.239 38.487 -0.030 0.000 1.008 405 N HN 0.149 nan 8.380 nan 0.000 0.424 406 L N 0.730 121.931 121.223 -0.037 0.000 2.046 406 L HA -0.058 4.283 4.340 0.001 0.000 0.208 406 L C 2.043 178.811 176.870 -0.170 0.000 1.077 406 L CA 1.421 56.206 54.840 -0.091 0.000 0.747 406 L CB -0.762 41.233 42.059 -0.106 0.000 0.896 406 L HN 0.174 nan 8.230 nan 0.000 0.432 407 A N -1.374 121.308 122.820 -0.230 0.000 1.933 407 A HA -0.154 4.167 4.320 0.001 0.000 0.218 407 A C 2.261 179.788 177.584 -0.096 0.000 1.175 407 A CA 1.951 53.792 52.037 -0.327 0.000 0.628 407 A CB -1.035 17.479 19.000 -0.809 0.000 0.814 407 A HN 0.292 nan 8.150 nan 0.000 0.444 408 V N 0.008 119.887 119.914 -0.059 0.000 2.261 408 V HA -0.269 3.852 4.120 0.001 0.000 0.246 408 V C 2.582 178.696 176.094 0.033 0.000 1.047 408 V CA 2.035 64.334 62.300 -0.002 0.000 1.015 408 V CB -0.809 30.928 31.823 -0.143 0.000 0.642 408 V HN 0.574 nan 8.190 nan 0.000 0.446 409 L N -0.508 120.700 121.223 -0.024 0.000 2.012 409 L HA -0.250 4.091 4.340 0.001 0.000 0.210 409 L C 2.635 179.540 176.870 0.058 0.000 1.073 409 L CA 2.307 57.149 54.840 0.004 0.000 0.748 409 L CB -0.826 41.228 42.059 -0.007 0.000 0.891 409 L HN 0.494 nan 8.230 nan 0.000 0.431 410 H N -0.425 118.605 119.070 -0.066 0.000 2.352 410 H HA -0.153 4.404 4.556 0.001 0.000 0.299 410 H C 2.315 177.630 175.328 -0.021 0.000 1.097 410 H CA 2.031 58.030 56.048 -0.082 0.000 1.311 410 H CB 0.052 29.701 29.762 -0.188 0.000 1.377 410 H HN 0.181 nan 8.280 nan 0.000 0.504 411 S N -0.403 115.272 115.700 -0.041 0.000 2.368 411 S HA -0.087 4.384 4.470 0.001 0.000 0.224 411 S C 1.876 176.459 174.600 -0.029 0.000 1.029 411 S CA 1.082 59.243 58.200 -0.064 0.000 0.988 411 S CB -0.411 62.832 63.200 0.073 0.000 0.838 411 S HN 0.314 nan 8.310 nan 0.000 0.462 412 F N 2.069 121.967 119.950 -0.087 0.000 2.134 412 F HA -0.096 4.431 4.527 0.002 0.000 0.299 412 F C 2.672 178.421 175.800 -0.085 0.000 1.097 412 F CA 1.092 59.060 58.000 -0.053 0.000 1.264 412 F CB -0.718 38.276 39.000 -0.010 0.000 1.001 412 F HN 0.195 nan 8.300 nan 0.000 0.479 413 Q N -0.500 119.337 119.800 0.062 0.000 2.124 413 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 413 Q C 2.223 178.160 176.000 -0.105 0.000 0.977 413 Q CA 1.473 57.259 55.803 -0.029 0.000 0.850 413 Q CB -0.450 28.263 28.738 -0.041 0.000 0.901 413 Q HN 0.351 nan 8.270 nan 0.000 0.429 414 L N 0.079 121.180 121.223 -0.202 0.000 2.056 414 L HA -0.076 4.264 4.340 0.001 0.000 0.207 414 L C 1.837 178.620 176.870 -0.145 0.000 1.078 414 L CA 1.833 56.541 54.840 -0.220 0.000 0.749 414 L CB -0.389 41.458 42.059 -0.353 0.000 0.901 414 L HN 0.108 nan 8.230 nan 0.000 0.433 415 A N -1.440 121.292 122.820 -0.147 0.000 2.259 415 A HA 0.048 4.369 4.320 0.001 0.000 0.208 415 A C 0.872 178.391 177.584 -0.107 0.000 1.201 415 A CA -0.003 51.952 52.037 -0.135 0.000 0.824 415 A CB -0.518 18.369 19.000 -0.189 0.000 0.838 415 A HN 0.434 nan 8.150 nan 0.000 0.485 416 K N -0.791 119.559 120.400 -0.083 0.000 3.150 416 K HA -0.128 4.193 4.320 0.001 0.000 0.267 416 K C -0.870 175.701 176.600 -0.048 0.000 1.028 416 K CA 0.725 56.977 56.287 -0.059 0.000 0.753 416 K CB -1.991 30.475 32.500 -0.057 0.000 1.288 416 K HN 0.271 nan 8.250 nan 0.000 0.473 417 V N 1.018 120.918 119.914 -0.024 0.000 2.495 417 V HA 0.157 4.278 4.120 0.001 0.000 0.298 417 V C 0.723 176.903 176.094 0.142 0.000 1.031 417 V CA -0.751 61.568 62.300 0.033 0.000 0.871 417 V CB 2.004 33.792 31.823 -0.059 0.000 0.988 417 V HN 0.251 nan 8.190 nan 0.000 0.432 418 T N 6.301 120.896 114.554 0.067 0.000 2.908 418 T HA 0.408 4.759 4.350 0.001 0.000 0.301 418 T C -0.255 174.504 174.700 0.099 0.000 1.019 418 T CA 0.891 62.952 62.100 -0.065 0.000 1.152 418 T CB 0.055 68.728 68.868 -0.324 0.000 0.966 418 T HN 0.553 nan 8.240 nan 0.000 0.540 419 I N 2.529 123.111 120.570 0.020 0.000 3.004 419 I HA 0.666 4.837 4.170 0.001 0.000 0.305 419 I C -1.497 174.658 176.117 0.063 0.000 1.312 419 I CA -1.012 60.339 61.300 0.085 0.000 0.992 419 I CB 2.069 40.047 38.000 -0.037 0.000 1.282 419 I HN 0.422 nan 8.210 nan 0.000 0.449 420 V N 4.701 124.715 119.914 0.166 0.000 2.588 420 V HA 0.476 4.597 4.120 0.001 0.000 0.304 420 V C -1.151 175.003 176.094 0.100 0.000 1.042 420 V CA -0.311 62.082 62.300 0.155 0.000 0.877 420 V CB 2.122 34.121 31.823 0.294 0.000 0.996 420 V HN 0.879 nan 8.190 nan 0.000 0.425 421 D N 4.017 124.455 120.400 0.064 0.000 2.358 421 D HA 0.178 4.819 4.640 0.001 0.000 0.244 421 D C 1.264 177.579 176.300 0.024 0.000 1.163 421 D CA 0.203 54.230 54.000 0.045 0.000 0.945 421 D CB 0.478 41.281 40.800 0.004 0.000 1.152 421 D HN 0.728 nan 8.370 nan 0.000 0.451 422 H N -0.210 118.801 119.070 -0.099 0.000 2.457 422 H HA -0.122 4.434 4.556 0.001 0.000 0.294 422 H C 1.009 176.229 175.328 -0.180 0.000 1.064 422 H CA 1.288 57.233 56.048 -0.171 0.000 1.330 422 H CB -0.569 29.036 29.762 -0.262 0.000 1.395 422 H HN 0.523 nan 8.280 nan 0.000 0.541 423 H N 1.187 120.069 119.070 -0.314 0.000 2.333 423 H HA 0.142 4.699 4.556 0.001 0.000 0.302 423 H C 2.530 177.836 175.328 -0.037 0.000 1.075 423 H CA 1.283 57.234 56.048 -0.162 0.000 1.348 423 H CB -0.294 29.339 29.762 -0.214 0.000 1.393 423 H HN 0.497 nan 8.280 nan 0.000 0.509 424 A N 1.469 124.341 122.820 0.088 0.000 1.902 424 A HA -0.100 4.221 4.320 0.001 0.000 0.217 424 A C 2.689 180.342 177.584 0.115 0.000 1.181 424 A CA 1.780 53.873 52.037 0.092 0.000 0.623 424 A CB -0.790 18.257 19.000 0.078 0.000 0.818 424 A HN 0.437 nan 8.150 nan 0.000 0.443 425 A N -0.274 122.614 122.820 0.112 0.000 1.873 425 A HA -0.092 4.229 4.320 0.001 0.000 0.215 425 A C 2.460 180.140 177.584 0.159 0.000 1.186 425 A CA 2.530 54.652 52.037 0.142 0.000 0.616 425 A CB -1.388 17.685 19.000 0.121 0.000 0.823 425 A HN 0.768 nan 8.150 nan 0.000 0.442 426 T N -2.646 111.985 114.554 0.128 0.000 2.867 426 T HA -0.075 4.276 4.350 0.001 0.000 0.268 426 T C 1.692 176.516 174.700 0.207 0.000 1.057 426 T CA 1.367 63.567 62.100 0.167 0.000 1.136 426 T CB -0.731 68.200 68.868 0.106 0.000 0.874 426 T HN 0.050 nan 8.240 nan 0.000 0.466 427 V N 2.870 122.880 119.914 0.160 0.000 2.343 427 V HA -0.186 3.935 4.120 0.001 0.000 0.247 427 V C 3.242 179.421 176.094 0.143 0.000 1.051 427 V CA 2.150 64.534 62.300 0.141 0.000 1.036 427 V CB -1.064 30.824 31.823 0.109 0.000 0.654 427 V HN 0.807 nan 8.190 nan 0.000 0.451 428 S N -0.180 115.615 115.700 0.158 0.000 2.382 428 S HA -0.239 4.232 4.470 0.001 0.000 0.228 428 S C 1.985 176.702 174.600 0.195 0.000 1.027 428 S CA 1.600 59.895 58.200 0.159 0.000 0.991 428 S CB -0.781 62.517 63.200 0.164 0.000 0.823 428 S HN 0.491 nan 8.310 nan 0.000 0.469 429 F N 2.384 122.396 119.950 0.103 0.000 2.134 429 F HA 0.018 4.546 4.527 0.001 0.000 0.299 429 F C 2.348 178.232 175.800 0.140 0.000 1.097 429 F CA 1.424 59.497 58.000 0.123 0.000 1.264 429 F CB -0.350 38.703 39.000 0.088 0.000 1.001 429 F HN 0.111 nan 8.300 nan 0.000 0.479 430 M N -0.066 119.595 119.600 0.100 0.000 2.159 430 M HA -0.191 4.290 4.480 0.001 0.000 0.263 430 M C 2.162 178.432 176.300 -0.051 0.000 1.063 430 M CA 1.494 56.798 55.300 0.008 0.000 1.110 430 M CB -1.216 31.438 32.600 0.089 0.000 1.374 430 M HN 0.073 nan 8.290 nan 0.000 0.411 431 K N -0.128 120.271 120.400 -0.001 0.000 2.057 431 K HA -0.187 4.134 4.320 0.001 0.000 0.206 431 K C 1.941 178.518 176.600 -0.039 0.000 1.050 431 K CA 1.696 57.980 56.287 -0.005 0.000 0.935 431 K CB -0.669 31.852 32.500 0.036 0.000 0.715 431 K HN 0.373 nan 8.250 nan 0.000 0.439 432 H N 0.187 119.168 119.070 -0.149 0.000 2.352 432 H HA -0.045 4.512 4.556 0.001 0.000 0.299 432 H C 1.720 176.888 175.328 -0.266 0.000 1.097 432 H CA 2.273 58.207 56.048 -0.190 0.000 1.311 432 H CB -0.226 29.399 29.762 -0.229 0.000 1.377 432 H HN 0.169 nan 8.280 nan 0.000 0.504 433 L N -0.281 120.653 121.223 -0.482 0.000 2.042 433 L HA -0.201 4.140 4.340 0.001 0.000 0.210 433 L C 2.327 179.043 176.870 -0.256 0.000 1.076 433 L CA 1.979 56.571 54.840 -0.414 0.000 0.749 433 L CB -0.500 41.373 42.059 -0.310 0.000 0.893 433 L HN 0.413 nan 8.230 nan 0.000 0.432 434 D N -0.301 119.994 120.400 -0.175 0.000 2.117 434 D HA -0.178 4.463 4.640 0.001 0.000 0.198 434 D C 1.915 178.148 176.300 -0.112 0.000 0.982 434 D CA 1.061 54.995 54.000 -0.109 0.000 0.828 434 D CB 0.106 40.867 40.800 -0.064 0.000 0.967 434 D HN 0.148 nan 8.370 nan 0.000 0.464 435 N N 0.603 119.228 118.700 -0.125 0.000 2.061 435 N HA -0.152 4.589 4.740 0.001 0.000 0.193 435 N C 1.596 177.032 175.510 -0.124 0.000 1.030 435 N CA 0.954 53.947 53.050 -0.094 0.000 0.856 435 N CB -0.288 38.168 38.487 -0.051 0.000 1.023 435 N HN 0.347 nan 8.380 nan 0.000 0.424 436 E N 0.494 120.544 120.200 -0.249 0.000 2.152 436 E HA -0.135 4.216 4.350 0.001 0.000 0.192 436 E C 1.899 178.418 176.600 -0.136 0.000 0.983 436 E CA 0.478 56.737 56.400 -0.236 0.000 0.818 436 E CB -0.119 29.334 29.700 -0.412 0.000 0.758 436 E HN 0.341 nan 8.360 nan 0.000 0.467 437 Q N 1.560 121.286 119.800 -0.123 0.000 2.050 437 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 437 Q C 1.848 177.815 176.000 -0.055 0.000 0.980 437 Q CA 1.700 57.460 55.803 -0.072 0.000 0.840 437 Q CB 0.022 28.722 28.738 -0.063 0.000 0.898 437 Q HN 0.113 nan 8.270 nan 0.000 0.424 438 K N -0.718 119.650 120.400 -0.055 0.000 2.025 438 K HA -0.061 4.260 4.320 0.001 0.000 0.207 438 K C 2.033 178.615 176.600 -0.030 0.000 1.049 438 K CA 1.172 57.436 56.287 -0.038 0.000 0.933 438 K CB -0.231 32.250 32.500 -0.032 0.000 0.714 438 K HN 0.261 nan 8.250 nan 0.000 0.438 439 A N 1.113 123.915 122.820 -0.030 0.000 1.897 439 A HA -0.063 4.258 4.320 0.001 0.000 0.215 439 A C 1.792 179.367 177.584 -0.015 0.000 1.181 439 A CA 1.162 53.194 52.037 -0.009 0.000 0.620 439 A CB 0.010 19.021 19.000 0.018 0.000 0.821 439 A HN 0.172 nan 8.150 nan 0.000 0.443 440 R N -2.847 117.634 120.500 -0.031 0.000 2.541 440 R HA 0.245 4.586 4.340 0.001 0.000 0.332 440 R C 0.852 177.139 176.300 -0.022 0.000 0.951 440 R CA 0.545 56.631 56.100 -0.024 0.000 1.136 440 R CB 0.728 31.010 30.300 -0.030 0.000 1.449 440 R HN 0.707 nan 8.270 nan 0.000 0.531 441 G N 0.998 109.778 108.800 -0.033 0.000 2.147 441 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 441 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 441 G C 0.209 175.108 174.900 -0.002 0.000 1.005 441 G CA 0.170 45.250 45.100 -0.034 0.000 0.713 441 G HN 0.720 nan 8.290 nan 0.000 0.515 442 G N -2.438 106.367 108.800 0.009 0.000 2.320 442 G HA2 0.564 4.524 3.960 0.001 0.000 0.297 442 G HA3 0.564 4.524 3.960 0.001 0.000 0.297 442 G C -0.918 174.008 174.900 0.044 0.000 1.344 442 G CA 0.398 45.537 45.100 0.064 0.000 0.851 442 G HN 1.938 nan 8.290 nan 0.000 0.567 443 C N 1.804 121.157 119.300 0.088 0.000 2.924 443 C HA 0.709 5.170 4.460 0.001 0.000 0.400 443 C C -2.629 172.349 174.990 -0.021 0.000 1.032 443 C CA -1.063 57.955 59.018 0.001 0.000 1.236 443 C CB 1.290 28.977 27.740 -0.090 0.000 1.660 443 C HN 0.711 nan 8.230 nan 0.000 0.510 444 P HA 0.459 nan 4.420 nan 0.000 0.276 444 P C -0.721 176.490 177.300 -0.149 0.000 1.235 444 P CA 0.440 63.202 63.100 -0.564 0.000 0.772 444 P CB 1.272 32.397 31.700 -0.959 0.000 0.871 445 A N 2.457 125.253 122.820 -0.039 0.000 2.517 445 A HA 0.415 4.736 4.320 0.001 0.000 0.297 445 A C -1.202 176.436 177.584 0.089 0.000 1.050 445 A CA -0.548 51.547 52.037 0.097 0.000 0.694 445 A CB 1.316 20.490 19.000 0.289 0.000 1.277 445 A HN 0.450 nan 8.150 nan 0.000 0.400 446 D N 1.985 122.422 120.400 0.063 0.000 2.467 446 D HA 0.147 4.788 4.640 0.001 0.000 0.220 446 D C 0.791 177.214 176.300 0.205 0.000 1.103 446 D CA -0.498 53.565 54.000 0.105 0.000 0.886 446 D CB 0.373 41.163 40.800 -0.015 0.000 1.025 446 D HN 0.600 nan 8.370 nan 0.000 0.514 447 W N 4.216 125.551 121.300 0.058 0.000 2.318 447 W HA -0.291 4.370 4.660 0.002 0.000 0.313 447 W C 1.932 178.484 176.519 0.056 0.000 1.221 447 W CA 2.285 59.654 57.345 0.041 0.000 1.266 447 W CB 0.068 29.530 29.460 0.003 0.000 1.150 447 W HN 0.560 nan 8.180 nan 0.000 0.496 448 A N -1.367 121.748 122.820 0.492 0.000 2.070 448 A HA -0.184 4.136 4.320 0.001 0.000 0.220 448 A C 1.435 179.111 177.584 0.153 0.000 1.159 448 A CA 1.572 53.824 52.037 0.358 0.000 0.656 448 A CB -1.174 18.044 19.000 0.363 0.000 0.800 448 A HN 0.539 nan 8.150 nan 0.000 0.453 449 W N -0.877 120.395 121.300 -0.047 0.000 2.683 449 W HA 0.203 4.864 4.660 0.001 0.000 0.267 449 W C 1.878 178.286 176.519 -0.186 0.000 1.243 449 W CA -0.067 57.221 57.345 -0.095 0.000 1.380 449 W CB -0.071 29.350 29.460 -0.064 0.000 1.063 449 W HN 0.126 nan 8.180 nan 0.000 0.599 450 I N -0.061 120.480 120.570 -0.049 0.000 2.353 450 I HA -0.079 4.091 4.170 0.001 0.000 0.248 450 I C 0.630 176.558 176.117 -0.314 0.000 1.119 450 I CA 0.834 61.977 61.300 -0.262 0.000 1.417 450 I CB -1.475 36.295 38.000 -0.383 0.000 1.078 450 I HN -0.407 nan 8.210 nan 0.000 0.421 451 V N 4.062 123.709 119.914 -0.444 0.000 2.521 451 V HA 0.080 4.201 4.120 0.001 0.000 0.286 451 V C -1.863 174.063 176.094 -0.280 0.000 1.034 451 V CA -1.008 61.014 62.300 -0.463 0.000 1.045 451 V CB 0.189 31.488 31.823 -0.874 0.000 0.974 451 V HN 0.120 nan 8.190 nan 0.000 0.480 452 P HA 0.165 nan 4.420 nan 0.000 0.270 452 P C -1.943 175.232 177.300 -0.209 0.000 1.223 452 P CA -1.230 61.749 63.100 -0.203 0.000 0.785 452 P CB 0.048 31.628 31.700 -0.200 0.000 0.923 453 P HA 0.070 nan 4.420 nan 0.000 0.241 453 P C 0.098 177.288 177.300 -0.184 0.000 1.191 453 P CA 0.808 63.792 63.100 -0.193 0.000 0.771 453 P CB 0.076 31.656 31.700 -0.200 0.000 0.929 454 I N -6.232 114.192 120.570 -0.243 0.000 2.892 454 I HA 0.500 4.671 4.170 0.001 0.000 0.306 454 I C 0.047 176.059 176.117 -0.176 0.000 1.078 454 I CA -1.243 59.937 61.300 -0.201 0.000 1.032 454 I CB 1.879 39.747 38.000 -0.220 0.000 1.229 454 I HN -0.407 nan 8.210 nan 0.000 0.435 455 S N 1.999 117.646 115.700 -0.088 0.000 3.587 455 S HA -0.190 4.281 4.470 0.001 0.000 0.337 455 S C 1.371 175.944 174.600 -0.045 0.000 1.119 455 S CA 0.778 58.964 58.200 -0.023 0.000 0.976 455 S CB -1.707 61.556 63.200 0.105 0.000 0.922 455 S HN 1.273 nan 8.310 nan 0.000 0.503 456 G N 2.252 111.000 108.800 -0.087 0.000 2.631 456 G HA2 -0.338 3.623 3.960 0.001 0.000 0.219 456 G HA3 -0.338 3.623 3.960 0.001 0.000 0.219 456 G C 1.457 176.248 174.900 -0.181 0.000 1.214 456 G CA 1.649 46.710 45.100 -0.065 0.000 0.785 456 G HN 1.312 nan 8.290 nan 0.000 0.596 457 S N -0.192 115.163 115.700 -0.576 0.000 2.561 457 S HA 0.152 4.623 4.470 0.001 0.000 0.225 457 S C 1.955 176.467 174.600 -0.146 0.000 0.977 457 S CA 0.511 58.187 58.200 -0.874 0.000 0.926 457 S CB -0.007 62.391 63.200 -1.336 0.000 0.769 457 S HN 0.055 nan 8.310 nan 0.000 0.533 458 L N 2.643 123.843 121.223 -0.039 0.000 2.552 458 L HA 0.224 4.565 4.340 0.001 0.000 0.227 458 L C 1.344 178.334 176.870 0.199 0.000 1.146 458 L CA 0.727 55.633 54.840 0.111 0.000 0.858 458 L CB -1.126 41.027 42.059 0.155 0.000 0.969 458 L HN 0.613 nan 8.230 nan 0.000 0.451 459 T N -4.564 110.088 114.554 0.164 0.000 2.895 459 T HA 0.388 4.739 4.350 0.001 0.000 0.283 459 T C -1.753 173.098 174.700 0.252 0.000 1.014 459 T CA -1.912 60.301 62.100 0.190 0.000 1.037 459 T CB 1.989 70.916 68.868 0.099 0.000 1.006 459 T HN -0.158 nan 8.240 nan 0.000 0.468 460 P HA -0.049 nan 4.420 nan 0.000 0.223 460 P C 1.805 179.295 177.300 0.318 0.000 1.151 460 P CA 0.794 64.087 63.100 0.320 0.000 0.787 460 P CB -0.347 31.487 31.700 0.223 0.000 0.788 461 V N -3.770 116.274 119.914 0.217 0.000 2.626 461 V HA -0.199 3.922 4.120 0.001 0.000 0.252 461 V C 2.326 178.477 176.094 0.095 0.000 1.067 461 V CA 1.146 63.539 62.300 0.154 0.000 1.081 461 V CB -2.238 29.619 31.823 0.057 0.000 0.686 461 V HN -0.122 nan 8.190 nan 0.000 0.468 462 F N 1.828 121.712 119.950 -0.110 0.000 2.154 462 F HA -0.201 4.327 4.527 0.001 0.000 0.301 462 F C 2.456 178.326 175.800 0.118 0.000 1.087 462 F CA 2.350 60.281 58.000 -0.116 0.000 1.274 462 F CB -0.231 38.564 39.000 -0.341 0.000 1.009 462 F HN 0.296 nan 8.300 nan 0.000 0.485 463 H N -1.162 118.223 119.070 0.524 0.000 2.526 463 H HA 0.126 4.683 4.556 0.001 0.000 0.274 463 H C 0.193 175.771 175.328 0.416 0.000 0.999 463 H CA 0.187 56.512 56.048 0.462 0.000 1.157 463 H CB -0.155 29.852 29.762 0.410 0.000 1.407 463 H HN 0.248 nan 8.280 nan 0.000 0.568 464 Q N 1.864 121.936 119.800 0.454 0.000 2.347 464 Q HA 0.179 4.520 4.340 0.001 0.000 0.262 464 Q C -0.648 175.591 176.000 0.399 0.000 0.980 464 Q CA -0.463 55.564 55.803 0.374 0.000 0.867 464 Q CB 0.924 29.844 28.738 0.304 0.000 1.242 464 Q HN 0.218 nan 8.270 nan 0.000 0.453 465 E N 3.334 123.720 120.200 0.311 0.000 2.398 465 E HA 0.268 4.619 4.350 0.001 0.000 0.263 465 E C -0.501 176.238 176.600 0.231 0.000 1.046 465 E CA 0.312 56.852 56.400 0.234 0.000 0.908 465 E CB 0.824 30.637 29.700 0.188 0.000 0.963 465 E HN 0.589 nan 8.360 nan 0.000 0.431 466 M N 1.576 121.313 119.600 0.228 0.000 2.501 466 M HA 0.381 4.862 4.480 0.001 0.000 0.293 466 M C -1.255 175.157 176.300 0.187 0.000 1.192 466 M CA -0.997 54.444 55.300 0.234 0.000 0.886 466 M CB 2.388 35.177 32.600 0.316 0.000 1.710 466 M HN 0.166 nan 8.290 nan 0.000 0.457 467 V N 1.977 122.012 119.914 0.202 0.000 2.459 467 V HA 0.480 4.600 4.120 0.001 0.000 0.295 467 V C -0.677 175.560 176.094 0.237 0.000 1.029 467 V CA -0.734 61.714 62.300 0.247 0.000 0.874 467 V CB 1.742 33.760 31.823 0.324 0.000 0.985 467 V HN 0.796 nan 8.190 nan 0.000 0.438 468 N N 3.836 122.663 118.700 0.212 0.000 2.372 468 N HA 0.676 5.416 4.740 0.001 0.000 0.291 468 N C -1.260 174.367 175.510 0.194 0.000 1.024 468 N CA -0.393 52.701 53.050 0.074 0.000 0.873 468 N CB 1.432 39.951 38.487 0.053 0.000 1.206 468 N HN 0.661 nan 8.380 nan 0.000 0.486 469 Y N 0.269 120.589 120.300 0.033 0.000 2.677 469 Y HA 0.549 5.100 4.550 0.001 0.000 0.334 469 Y C -1.272 174.638 175.900 0.016 0.000 1.196 469 Y CA -1.227 56.888 58.100 0.024 0.000 1.059 469 Y CB 0.683 39.162 38.460 0.032 0.000 1.315 469 Y HN 0.212 nan 8.280 nan 0.000 0.455 470 I N 3.391 124.067 120.570 0.176 0.000 2.312 470 I HA 0.417 4.588 4.170 0.001 0.000 0.290 470 I C -0.716 175.476 176.117 0.125 0.000 1.008 470 I CA -0.377 60.971 61.300 0.079 0.000 1.226 470 I CB 0.910 38.942 38.000 0.053 0.000 1.371 470 I HN 0.422 nan 8.210 nan 0.000 0.468 471 L N 4.838 126.105 121.223 0.074 0.000 2.334 471 L HA 0.591 4.932 4.340 0.001 0.000 0.270 471 L C 0.126 177.011 176.870 0.025 0.000 1.018 471 L CA -0.563 54.325 54.840 0.079 0.000 0.811 471 L CB 1.932 44.038 42.059 0.078 0.000 1.271 471 L HN 0.509 nan 8.230 nan 0.000 0.443 472 S N 1.159 116.880 115.700 0.036 0.000 2.503 472 S HA 0.633 5.104 4.470 0.001 0.000 0.301 472 S C -2.561 172.061 174.600 0.037 0.000 1.087 472 S CA -1.436 56.771 58.200 0.013 0.000 1.042 472 S CB 1.741 64.960 63.200 0.030 0.000 1.043 472 S HN 0.239 nan 8.310 nan 0.000 0.489 473 P HA 0.407 nan 4.420 nan 0.000 0.268 473 P C -1.399 175.800 177.300 -0.168 0.000 1.208 473 P CA -0.115 62.908 63.100 -0.127 0.000 0.777 473 P CB 0.565 32.149 31.700 -0.193 0.000 0.875 474 A N 1.610 124.295 122.820 -0.226 0.000 2.572 474 A HA 0.671 4.992 4.320 0.001 0.000 0.295 474 A C -1.419 175.980 177.584 -0.308 0.000 1.072 474 A CA -0.478 51.442 52.037 -0.195 0.000 0.691 474 A CB 0.743 19.700 19.000 -0.072 0.000 1.291 474 A HN 0.297 nan 8.150 nan 0.000 0.404 475 F N 1.063 120.986 119.950 -0.045 0.000 2.394 475 F HA 0.684 5.212 4.527 0.001 0.000 0.340 475 F C 0.937 176.742 175.800 0.009 0.000 1.105 475 F CA 0.257 58.246 58.000 -0.017 0.000 1.124 475 F CB 1.363 40.331 39.000 -0.053 0.000 1.145 475 F HN 0.610 nan 8.300 nan 0.000 0.505 476 R N 2.429 123.060 120.500 0.218 0.000 2.686 476 R HA 0.292 4.633 4.340 0.001 0.000 0.283 476 R C -1.494 174.904 176.300 0.163 0.000 0.978 476 R CA -0.949 55.237 56.100 0.144 0.000 0.897 476 R CB 1.490 31.835 30.300 0.075 0.000 1.192 476 R HN 0.663 nan 8.270 nan 0.000 0.457 477 Y N 3.209 123.534 120.300 0.042 0.000 2.480 477 Y HA 0.014 4.565 4.550 0.002 0.000 0.338 477 Y C -0.384 175.521 175.900 0.008 0.000 1.220 477 Y CA 0.802 58.918 58.100 0.027 0.000 1.430 477 Y CB 0.712 39.176 38.460 0.006 0.000 1.311 477 Y HN 0.496 nan 8.280 nan 0.000 0.575 478 Q N 6.646 126.015 119.800 -0.718 0.000 2.359 478 Q HA 0.532 4.873 4.340 0.001 0.000 0.274 478 Q C -3.068 172.525 176.000 -0.678 0.000 1.074 478 Q CA -2.493 53.025 55.803 -0.476 0.000 0.810 478 Q CB 2.322 30.906 28.738 -0.257 0.000 1.342 478 Q HN 0.381 nan 8.270 nan 0.000 0.427 479 P HA -0.009 nan 4.420 nan 0.000 0.264 479 P C -0.709 176.326 177.300 -0.443 0.000 1.193 479 P CA 0.081 62.997 63.100 -0.308 0.000 0.763 479 P CB 0.415 31.993 31.700 -0.203 0.000 0.810 480 D N 5.309 125.372 120.400 -0.562 0.000 2.586 480 D HA -0.055 4.586 4.640 0.001 0.000 0.234 480 D C -0.850 174.900 176.300 -0.917 0.000 1.132 480 D CA -0.606 52.849 54.000 -0.910 0.000 0.860 480 D CB 0.054 39.949 40.800 -1.508 0.000 1.159 480 D HN 0.341 nan 8.370 nan 0.000 0.490 481 P HA -0.052 nan 4.420 nan 0.000 0.230 481 P C 0.278 177.260 177.300 -0.530 0.000 1.158 481 P CA 0.545 63.281 63.100 -0.607 0.000 0.769 481 P CB 0.055 31.372 31.700 -0.637 0.000 0.807 482 W N 0.000 120.896 121.300 -0.673 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.107 57.345 -0.397 0.000 1.226 482 W CB 0.000 29.242 29.460 -0.363 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535