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 1lg1_1_A DATA FIRST_RESID 22 DATA SEQUENCE AKLVcYFTNW AQYRQGEARF LPKDLDPSLc THLIYAFAGM TNHQLSTTEW DATA SEQUENCE NDETLYQEFN GLKKMNPKLK TLLAIGGWNF GTQKFTDMVA TANNRQTFVN DATA SEQUENCE SAIRFLRKYS FDGLDLDWEY PGSQGSPAVD KERFTTLVQD LANAFQQEAQ DATA SEQUENCE TSGKERLLLS AAVPAGQTYV DAGYEVDKIA QNLDFVNLMA YDFHGSWEKV DATA SEQUENCE TGHNSPLYKR QEESGAAASL NVDAAVQQWL QKGTPASKLI LGMPTYGRSF DATA SEQUENCE TLASSSDTRV GAPATGSGTP GPFTKEGGML AYYEVCSWKG ATKQRIQDQK DATA SEQUENCE VPYIFRDNQW VGFDDVESFK TKVSYLKQKG LGGAMVWALD LDDFAGFSCN DATA SEQUENCE QGRYPLIQTL RQELS 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.567 177.584 -0.028 0.000 1.274 22 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 22 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 23 K N -0.102 120.254 120.400 -0.073 0.000 2.138 23 K HA 0.623 4.943 4.320 0.001 0.000 0.263 23 K C -1.466 175.080 176.600 -0.090 0.000 0.965 23 K CA -0.663 55.560 56.287 -0.107 0.000 0.868 23 K CB 1.888 34.177 32.500 -0.352 0.000 1.083 23 K HN 0.450 nan 8.250 nan 0.000 0.443 24 L N 3.898 125.108 121.223 -0.022 0.000 2.401 24 L HA 0.276 4.616 4.340 0.001 0.000 0.263 24 L C -1.375 175.497 176.870 0.003 0.000 1.004 24 L CA -0.647 54.185 54.840 -0.012 0.000 0.881 24 L CB 1.425 43.488 42.059 0.007 0.000 1.219 24 L HN 0.297 nan 8.230 nan 0.000 0.441 25 V N 4.149 124.032 119.914 -0.051 0.000 2.383 25 V HA 0.439 4.559 4.120 0.001 0.000 0.275 25 V C -0.115 175.981 176.094 0.004 0.000 1.036 25 V CA -0.301 61.971 62.300 -0.048 0.000 0.889 25 V CB 1.046 32.794 31.823 -0.125 0.000 0.985 25 V HN 0.834 nan 8.190 nan 0.000 0.459 26 c N 4.917 123.512 118.600 -0.009 0.000 2.498 26 c HA 0.610 5.180 4.570 0.001 0.000 0.316 26 c C -0.413 173.666 174.090 -0.019 0.000 1.209 26 c CA -1.240 55.108 56.329 0.031 0.000 1.518 26 c CB 0.912 43.444 42.510 0.037 0.000 2.147 26 c HN 0.754 nan 8.230 nan 0.000 0.483 27 Y N 1.396 121.720 120.300 0.040 0.000 2.308 27 Y HA 0.520 5.070 4.550 0.001 0.000 0.329 27 Y C -0.026 175.734 175.900 -0.234 0.000 1.111 27 Y CA -0.121 57.931 58.100 -0.079 0.000 1.179 27 Y CB 0.754 39.087 38.460 -0.211 0.000 1.201 27 Y HN 0.690 nan 8.280 nan 0.000 0.483 28 F N 3.168 123.009 119.950 -0.182 0.000 2.480 28 F HA 0.633 5.160 4.527 0.001 0.000 0.329 28 F C -0.342 175.046 175.800 -0.686 0.000 1.091 28 F CA -0.585 57.218 58.000 -0.329 0.000 0.972 28 F CB 1.310 40.292 39.000 -0.029 0.000 1.150 28 F HN 0.482 nan 8.300 nan 0.000 0.467 29 T N 2.211 115.801 114.554 -1.607 0.000 2.887 29 T HA 0.331 4.682 4.350 0.001 0.000 0.288 29 T C 0.491 174.296 174.700 -1.493 0.000 1.021 29 T CA -0.900 60.231 62.100 -1.615 0.000 1.000 29 T CB 1.539 69.149 68.868 -2.097 0.000 1.034 29 T HN 0.612 nan 8.240 nan 0.000 0.467 30 N N 1.050 119.227 118.700 -0.872 0.000 2.013 30 N HA -0.080 4.660 4.740 0.001 0.000 0.195 30 N C 1.699 177.086 175.510 -0.206 0.000 1.051 30 N CA 2.087 54.962 53.050 -0.291 0.000 0.851 30 N CB -0.509 38.111 38.487 0.222 0.000 1.044 30 N HN 0.986 nan 8.380 nan 0.000 0.422 31 W N 1.351 122.600 121.300 -0.085 0.000 2.480 31 W HA 0.133 4.793 4.660 0.001 0.000 0.257 31 W C 1.871 178.358 176.519 -0.054 0.000 1.235 31 W CA 0.494 57.874 57.345 0.058 0.000 1.218 31 W CB -0.592 28.985 29.460 0.195 0.000 1.131 31 W HN -0.022 nan 8.180 nan 0.000 0.606 32 A N 2.028 124.569 122.820 -0.466 0.000 2.019 32 A HA -0.286 4.034 4.320 0.001 0.000 0.219 32 A C 2.251 179.731 177.584 -0.173 0.000 1.164 32 A CA 1.744 53.576 52.037 -0.342 0.000 0.644 32 A CB -0.963 17.697 19.000 -0.568 0.000 0.805 32 A HN 0.693 nan 8.150 nan 0.000 0.449 33 Q N -1.623 117.989 119.800 -0.314 0.000 2.364 33 Q HA -0.170 4.170 4.340 0.001 0.000 0.209 33 Q C 1.131 176.999 176.000 -0.220 0.000 0.977 33 Q CA 1.714 57.331 55.803 -0.310 0.000 0.885 33 Q CB -0.621 27.849 28.738 -0.448 0.000 0.941 33 Q HN 0.825 nan 8.270 nan 0.000 0.464 34 Y N 0.618 121.008 120.300 0.150 0.000 2.457 34 Y HA 0.237 4.787 4.550 0.001 0.000 0.263 34 Y C 0.577 176.580 175.900 0.170 0.000 1.164 34 Y CA -1.007 57.196 58.100 0.172 0.000 1.274 34 Y CB 0.467 39.049 38.460 0.202 0.000 1.097 34 Y HN -0.074 nan 8.280 nan 0.000 0.523 35 R N 2.082 122.744 120.500 0.270 0.000 2.640 35 R HA 0.078 4.419 4.340 0.001 0.000 0.270 35 R C 0.516 176.966 176.300 0.250 0.000 1.024 35 R CA 0.395 56.660 56.100 0.276 0.000 1.085 35 R CB 0.079 30.523 30.300 0.241 0.000 0.963 35 R HN 0.363 nan 8.270 nan 0.000 0.426 36 Q N 1.345 121.329 119.800 0.307 0.000 2.397 36 Q HA 0.460 4.801 4.340 0.001 0.000 0.193 36 Q C 1.171 177.347 176.000 0.293 0.000 1.083 36 Q CA 0.006 55.968 55.803 0.267 0.000 1.108 36 Q CB -0.274 28.607 28.738 0.238 0.000 1.172 36 Q HN 0.817 nan 8.270 nan 0.000 0.617 37 G N -0.292 108.653 108.800 0.241 0.000 2.602 37 G HA2 -0.368 3.593 3.960 0.001 0.000 0.317 37 G HA3 -0.368 3.593 3.960 0.001 0.000 0.317 37 G C 0.854 175.727 174.900 -0.046 0.000 1.327 37 G CA 0.939 46.154 45.100 0.192 0.000 0.971 37 G HN 0.931 nan 8.290 nan 0.000 0.540 38 E N 0.639 120.664 120.200 -0.290 0.000 2.285 38 E HA 0.219 4.570 4.350 0.001 0.000 0.194 38 E C 2.794 178.900 176.600 -0.823 0.000 0.997 38 E CA 0.752 56.782 56.400 -0.617 0.000 0.845 38 E CB -0.188 28.963 29.700 -0.915 0.000 0.782 38 E HN 0.704 nan 8.360 nan 0.000 0.491 39 A N 1.768 124.032 122.820 -0.926 0.000 2.186 39 A HA -0.151 4.169 4.320 0.001 0.000 0.219 39 A C 1.342 178.926 177.584 0.000 0.000 1.159 39 A CA 0.257 51.934 52.037 -0.600 0.000 0.680 39 A CB -0.545 18.151 19.000 -0.507 0.000 0.787 39 A HN 0.065 nan 8.150 nan 0.000 0.467 40 R N -0.873 119.617 120.500 -0.016 0.000 2.538 40 R HA 0.203 4.543 4.340 0.001 0.000 0.282 40 R C -1.287 175.035 176.300 0.037 0.000 1.009 40 R CA 0.264 56.389 56.100 0.042 0.000 1.063 40 R CB -0.049 30.258 30.300 0.012 0.000 0.945 40 R HN 0.251 nan 8.270 nan 0.000 0.414 41 F N 5.382 125.190 119.950 -0.237 0.000 2.529 41 F HA 0.494 5.021 4.527 0.001 0.000 0.320 41 F C -1.244 174.412 175.800 -0.241 0.000 1.118 41 F CA -0.636 57.107 58.000 -0.429 0.000 0.915 41 F CB 1.119 39.717 39.000 -0.669 0.000 1.161 41 F HN 0.338 nan 8.300 nan 0.000 0.445 42 L N 6.257 127.121 121.223 -0.598 0.000 2.403 42 L HA 0.506 4.846 4.340 0.001 0.000 0.253 42 L C -1.953 174.754 176.870 -0.271 0.000 1.045 42 L CA -1.893 52.827 54.840 -0.199 0.000 0.845 42 L CB 2.286 44.257 42.059 -0.148 0.000 1.447 42 L HN 0.307 nan 8.230 nan 0.000 0.411 43 P HA -0.205 nan 4.420 nan 0.000 0.216 43 P C 1.045 178.233 177.300 -0.187 0.000 1.150 43 P CA 1.406 64.418 63.100 -0.147 0.000 0.843 43 P CB 0.050 31.678 31.700 -0.120 0.000 0.787 44 K N -0.581 119.711 120.400 -0.179 0.000 2.218 44 K HA -0.180 4.141 4.320 0.001 0.000 0.205 44 K C 0.918 177.408 176.600 -0.183 0.000 1.046 44 K CA 1.849 58.044 56.287 -0.152 0.000 0.933 44 K CB -0.744 31.683 32.500 -0.123 0.000 0.728 44 K HN 0.126 nan 8.250 nan 0.000 0.454 45 D N 0.740 120.922 120.400 -0.364 0.000 2.339 45 D HA 0.092 4.732 4.640 0.001 0.000 0.217 45 D C 0.180 176.402 176.300 -0.130 0.000 1.050 45 D CA 0.196 53.969 54.000 -0.378 0.000 0.856 45 D CB 0.176 40.450 40.800 -0.875 0.000 0.922 45 D HN 0.226 nan 8.370 nan 0.000 0.518 46 L N 1.498 122.670 121.223 -0.085 0.000 2.331 46 L HA 0.132 4.472 4.340 0.001 0.000 0.278 46 L C 0.525 177.413 176.870 0.030 0.000 1.106 46 L CA -0.463 54.442 54.840 0.108 0.000 0.824 46 L CB 0.997 43.074 42.059 0.031 0.000 1.142 46 L HN -0.230 nan 8.230 nan 0.000 0.443 47 D N 5.958 126.355 120.400 -0.004 0.000 2.316 47 D HA 0.128 4.768 4.640 0.001 0.000 0.245 47 D C -1.432 174.797 176.300 -0.119 0.000 1.171 47 D CA -1.969 51.999 54.000 -0.053 0.000 0.856 47 D CB 1.586 42.329 40.800 -0.094 0.000 1.090 47 D HN 0.262 nan 8.370 nan 0.000 0.476 48 P HA -0.109 nan 4.420 nan 0.000 0.228 48 P C 0.724 177.945 177.300 -0.131 0.000 1.151 48 P CA 0.668 63.681 63.100 -0.144 0.000 0.770 48 P CB 0.290 31.910 31.700 -0.133 0.000 0.786 49 S N -2.177 113.459 115.700 -0.105 0.000 2.540 49 S HA 0.085 4.555 4.470 0.001 0.000 0.222 49 S C 1.645 176.190 174.600 -0.091 0.000 1.008 49 S CA -0.369 57.777 58.200 -0.090 0.000 0.939 49 S CB -0.890 62.271 63.200 -0.064 0.000 0.865 49 S HN -0.059 nan 8.310 nan 0.000 0.499 50 L N 2.048 123.198 121.223 -0.122 0.000 2.083 50 L HA 0.251 4.592 4.340 0.001 0.000 0.209 50 L C 0.424 177.234 176.870 -0.101 0.000 1.083 50 L CA 0.969 55.728 54.840 -0.135 0.000 0.752 50 L CB -0.483 41.410 42.059 -0.277 0.000 0.899 50 L HN 0.530 nan 8.230 nan 0.000 0.433 51 c N -2.614 115.926 118.600 -0.100 0.000 2.848 51 c HA 0.508 5.078 4.570 0.001 0.000 0.317 51 c C 1.827 175.881 174.090 -0.059 0.000 1.260 51 c CA -0.061 56.234 56.329 -0.057 0.000 1.656 51 c CB 1.360 43.845 42.510 -0.041 0.000 2.174 51 c HN 0.476 nan 8.230 nan 0.000 0.479 52 T N -2.468 112.081 114.554 -0.008 0.000 3.035 52 T HA 0.092 4.442 4.350 0.001 0.000 0.259 52 T C 0.371 174.931 174.700 -0.234 0.000 1.078 52 T CA 1.009 63.070 62.100 -0.065 0.000 1.132 52 T CB -0.141 68.769 68.868 0.070 0.000 0.900 52 T HN 0.791 nan 8.240 nan 0.000 0.480 53 H N 0.211 119.237 119.070 -0.073 0.000 2.782 53 H HA 0.483 5.039 4.556 0.001 0.000 0.347 53 H C -1.227 174.086 175.328 -0.025 0.000 1.038 53 H CA -0.827 55.200 56.048 -0.035 0.000 1.255 53 H CB 1.889 31.641 29.762 -0.017 0.000 1.623 53 H HN 0.120 nan 8.280 nan 0.000 0.525 54 L N 4.690 125.964 121.223 0.085 0.000 2.295 54 L HA 0.455 4.795 4.340 0.001 0.000 0.285 54 L C -0.148 176.947 176.870 0.374 0.000 1.035 54 L CA -0.552 54.369 54.840 0.134 0.000 0.806 54 L CB 1.309 43.263 42.059 -0.175 0.000 1.214 54 L HN 0.426 nan 8.230 nan 0.000 0.426 55 I N 2.957 123.713 120.570 0.310 0.000 2.406 55 I HA 0.222 4.392 4.170 0.001 0.000 0.290 55 I C -0.974 175.288 176.117 0.242 0.000 0.999 55 I CA -0.729 60.699 61.300 0.212 0.000 1.124 55 I CB 1.894 39.745 38.000 -0.249 0.000 1.289 55 I HN 0.440 nan 8.210 nan 0.000 0.441 56 Y N 5.628 125.903 120.300 -0.041 0.000 2.404 56 Y HA 0.560 5.111 4.550 0.001 0.000 0.344 56 Y C 0.145 175.987 175.900 -0.097 0.000 0.995 56 Y CA -0.410 57.536 58.100 -0.257 0.000 1.201 56 Y CB 1.002 39.138 38.460 -0.540 0.000 1.151 56 Y HN 0.624 nan 8.280 nan 0.000 0.517 57 A N 7.281 129.891 122.820 -0.349 0.000 2.287 57 A HA 0.726 5.046 4.320 0.001 0.000 0.317 57 A C -1.530 175.883 177.584 -0.284 0.000 1.220 57 A CA -0.343 51.329 52.037 -0.609 0.000 0.835 57 A CB 0.163 18.455 19.000 -1.180 0.000 1.180 57 A HN 0.763 nan 8.150 nan 0.000 0.500 58 F N 0.661 120.813 119.950 0.337 0.000 2.706 58 F HA 0.762 5.289 4.527 0.001 0.000 0.328 58 F C 0.448 176.425 175.800 0.294 0.000 1.123 58 F CA -0.588 57.602 58.000 0.316 0.000 0.978 58 F CB 2.182 41.353 39.000 0.286 0.000 1.404 58 F HN 0.694 nan 8.300 nan 0.000 0.497 59 A N 0.209 123.269 122.820 0.400 0.000 2.386 59 A HA 0.783 5.104 4.320 0.001 0.000 0.311 59 A C -0.344 177.246 177.584 0.009 0.000 1.068 59 A CA -0.180 51.975 52.037 0.196 0.000 0.743 59 A CB 1.050 20.082 19.000 0.054 0.000 1.258 59 A HN 0.905 nan 8.150 nan 0.000 0.429 60 G N 0.135 108.952 108.800 0.028 0.000 2.606 60 G HA2 0.606 4.566 3.960 0.001 0.000 0.262 60 G HA3 0.606 4.566 3.960 0.001 0.000 0.262 60 G C -0.446 174.445 174.900 -0.016 0.000 1.394 60 G CA -0.607 44.515 45.100 0.037 0.000 1.044 60 G HN 0.688 nan 8.290 nan 0.000 0.553 61 M N -0.288 119.392 119.600 0.133 0.000 2.386 61 M HA 0.449 4.930 4.480 0.001 0.000 0.293 61 M C -1.567 174.730 176.300 -0.005 0.000 1.120 61 M CA -0.381 54.943 55.300 0.039 0.000 0.909 61 M CB 2.695 35.313 32.600 0.030 0.000 1.661 61 M HN 0.430 nan 8.290 nan 0.000 0.452 62 T N 3.407 117.948 114.554 -0.020 0.000 3.186 62 T HA 0.332 4.682 4.350 0.001 0.000 0.320 62 T C -0.647 174.050 174.700 -0.006 0.000 0.955 62 T CA -0.459 61.625 62.100 -0.026 0.000 1.030 62 T CB 0.386 69.260 68.868 0.010 0.000 1.013 62 T HN 0.828 nan 8.240 nan 0.000 0.454 63 N N 3.058 121.729 118.700 -0.049 0.000 2.771 63 N HA -0.151 4.589 4.740 0.001 0.000 0.249 63 N C -0.109 175.529 175.510 0.213 0.000 1.069 63 N CA 0.909 54.002 53.050 0.072 0.000 0.688 63 N CB -1.607 36.949 38.487 0.115 0.000 0.928 63 N HN 1.057 nan 8.380 nan 0.000 0.551 64 H N -2.463 116.610 119.070 0.006 0.000 2.822 64 H HA -0.227 4.329 4.556 0.001 0.000 0.295 64 H C 0.049 175.467 175.328 0.151 0.000 1.151 64 H CA 1.761 57.837 56.048 0.046 0.000 1.151 64 H CB -1.650 28.137 29.762 0.041 0.000 1.343 64 H HN 0.641 nan 8.280 nan 0.000 0.382 65 Q N -0.087 119.821 119.800 0.180 0.000 2.375 65 Q HA 0.467 4.808 4.340 0.001 0.000 0.271 65 Q C -0.446 175.561 176.000 0.012 0.000 1.074 65 Q CA -1.486 54.388 55.803 0.118 0.000 0.808 65 Q CB 2.552 31.338 28.738 0.079 0.000 1.327 65 Q HN 0.099 nan 8.270 nan 0.000 0.441 66 L N 2.542 123.672 121.223 -0.155 0.000 2.462 66 L HA 0.221 4.561 4.340 0.001 0.000 0.272 66 L C -0.637 175.852 176.870 -0.635 0.000 1.166 66 L CA 0.976 55.568 54.840 -0.414 0.000 0.880 66 L CB 0.318 41.985 42.059 -0.654 0.000 1.142 66 L HN 0.763 nan 8.230 nan 0.000 0.473 67 S N 1.366 116.784 115.700 -0.469 0.000 2.556 67 S HA 0.687 5.157 4.470 0.001 0.000 0.271 67 S C -0.108 174.480 174.600 -0.020 0.000 1.135 67 S CA -0.340 57.729 58.200 -0.217 0.000 0.858 67 S CB 1.029 64.227 63.200 -0.005 0.000 1.114 67 S HN 0.828 nan 8.310 nan 0.000 0.468 68 T N -0.570 114.117 114.554 0.222 0.000 2.616 68 T HA 0.377 4.727 4.350 0.001 0.000 0.327 68 T C 1.124 175.933 174.700 0.182 0.000 1.049 68 T CA 0.690 62.933 62.100 0.239 0.000 1.022 68 T CB -0.164 68.773 68.868 0.115 0.000 1.009 68 T HN 1.528 nan 8.240 nan 0.000 0.535 69 T N -4.217 110.461 114.554 0.206 0.000 3.252 69 T HA 0.302 4.652 4.350 0.001 0.000 0.295 69 T C -0.212 174.624 174.700 0.227 0.000 0.897 69 T CA -0.532 61.697 62.100 0.215 0.000 0.905 69 T CB 0.388 69.415 68.868 0.265 0.000 1.202 69 T HN 0.561 nan 8.240 nan 0.000 0.592 70 E N 1.054 121.368 120.200 0.190 0.000 2.317 70 E HA 0.275 4.625 4.350 0.001 0.000 0.270 70 E C 0.367 177.019 176.600 0.087 0.000 0.885 70 E CA -0.892 55.621 56.400 0.188 0.000 0.760 70 E CB 1.199 30.993 29.700 0.156 0.000 1.227 70 E HN 0.378 nan 8.360 nan 0.000 0.434 71 W N 3.401 124.787 121.300 0.143 0.000 2.364 71 W HA -0.132 4.528 4.660 0.001 0.000 0.281 71 W C 0.360 176.916 176.519 0.061 0.000 1.219 71 W CA 1.286 58.689 57.345 0.096 0.000 1.220 71 W CB -0.329 29.194 29.460 0.106 0.000 1.127 71 W HN 0.373 nan 8.180 nan 0.000 0.556 72 N N 0.325 118.346 118.700 -1.132 0.000 2.416 72 N HA -0.008 4.732 4.740 0.001 0.000 0.267 72 N C 0.356 175.504 175.510 -0.603 0.000 1.294 72 N CA -0.140 52.241 53.050 -1.115 0.000 0.891 72 N CB -0.593 36.733 38.487 -1.934 0.000 1.238 72 N HN -0.155 nan 8.380 nan 0.000 0.508 73 D N 1.525 121.642 120.400 -0.471 0.000 2.117 73 D HA -0.131 4.509 4.640 0.001 0.000 0.197 73 D C 1.303 177.003 176.300 -1.000 0.000 0.987 73 D CA 1.114 54.746 54.000 -0.612 0.000 0.829 73 D CB 0.292 40.718 40.800 -0.624 0.000 0.961 73 D HN 0.494 nan 8.370 nan 0.000 0.460 74 E N -0.228 119.519 120.200 -0.755 0.000 2.085 74 E HA -0.141 4.210 4.350 0.001 0.000 0.194 74 E C 1.985 178.421 176.600 -0.274 0.000 0.994 74 E CA 1.284 57.356 56.400 -0.547 0.000 0.801 74 E CB -0.069 29.519 29.700 -0.187 0.000 0.743 74 E HN 0.200 nan 8.360 nan 0.000 0.453 75 T N 1.428 115.837 114.554 -0.240 0.000 2.821 75 T HA -0.062 4.288 4.350 0.001 0.000 0.267 75 T C 1.934 176.567 174.700 -0.111 0.000 1.046 75 T CA 0.643 62.658 62.100 -0.141 0.000 1.139 75 T CB -0.058 68.720 68.868 -0.150 0.000 0.871 75 T HN 0.082 nan 8.240 nan 0.000 0.454 76 L N -0.448 120.689 121.223 -0.144 0.000 2.056 76 L HA -0.032 4.308 4.340 0.001 0.000 0.207 76 L C 2.362 179.282 176.870 0.083 0.000 1.078 76 L CA 1.470 56.313 54.840 0.005 0.000 0.749 76 L CB -0.749 41.393 42.059 0.138 0.000 0.901 76 L HN 0.381 nan 8.230 nan 0.000 0.433 77 Y N 0.146 120.303 120.300 -0.239 0.000 2.193 77 Y HA -0.378 4.172 4.550 0.001 0.000 0.285 77 Y C 2.886 178.666 175.900 -0.199 0.000 1.166 77 Y CA 0.890 58.796 58.100 -0.323 0.000 1.181 77 Y CB -0.128 38.060 38.460 -0.455 0.000 0.976 77 Y HN 0.295 nan 8.280 nan 0.000 0.520 78 Q N 0.527 120.359 119.800 0.053 0.000 2.046 78 Q HA -0.188 4.152 4.340 0.001 0.000 0.200 78 Q C 1.919 177.899 176.000 -0.034 0.000 0.975 78 Q CA 1.664 57.468 55.803 0.002 0.000 0.836 78 Q CB 0.033 28.772 28.738 0.002 0.000 0.896 78 Q HN 0.470 nan 8.270 nan 0.000 0.428 79 E N -0.630 119.559 120.200 -0.018 0.000 2.028 79 E HA -0.175 4.176 4.350 0.001 0.000 0.191 79 E C 1.703 178.277 176.600 -0.043 0.000 0.988 79 E CA 0.908 57.286 56.400 -0.038 0.000 0.799 79 E CB -0.235 29.444 29.700 -0.035 0.000 0.755 79 E HN 0.278 nan 8.360 nan 0.000 0.447 80 F N 2.423 122.259 119.950 -0.190 0.000 2.027 80 F HA -0.294 4.233 4.527 0.001 0.000 0.297 80 F C 1.697 177.366 175.800 -0.218 0.000 1.129 80 F CA 2.141 60.002 58.000 -0.232 0.000 1.195 80 F CB -0.405 38.484 39.000 -0.186 0.000 0.960 80 F HN -0.028 nan 8.300 nan 0.000 0.485 81 N N -0.701 117.923 118.700 -0.127 0.000 2.520 81 N HA -0.062 4.678 4.740 0.001 0.000 0.185 81 N C 1.885 177.267 175.510 -0.214 0.000 1.068 81 N CA 0.432 53.328 53.050 -0.256 0.000 0.911 81 N CB -0.405 37.872 38.487 -0.350 0.000 0.961 81 N HN 0.453 nan 8.380 nan 0.000 0.446 82 G N 1.051 109.749 108.800 -0.171 0.000 2.448 82 G HA2 -0.120 3.840 3.960 0.001 0.000 0.218 82 G HA3 -0.120 3.840 3.960 0.001 0.000 0.218 82 G C 1.430 176.237 174.900 -0.155 0.000 1.135 82 G CA 0.087 45.102 45.100 -0.141 0.000 0.784 82 G HN 0.162 nan 8.290 nan 0.000 0.543 83 L N 0.146 121.249 121.223 -0.201 0.000 2.081 83 L HA -0.151 4.189 4.340 0.001 0.000 0.212 83 L C 2.775 179.538 176.870 -0.178 0.000 1.080 83 L CA 1.275 55.995 54.840 -0.201 0.000 0.754 83 L CB -0.306 41.585 42.059 -0.279 0.000 0.893 83 L HN 0.177 nan 8.230 nan 0.000 0.433 84 K N -0.225 120.061 120.400 -0.191 0.000 2.362 84 K HA -0.185 4.135 4.320 0.001 0.000 0.202 84 K C 1.923 178.450 176.600 -0.121 0.000 1.045 84 K CA 0.806 56.998 56.287 -0.158 0.000 0.936 84 K CB -0.011 32.395 32.500 -0.158 0.000 0.747 84 K HN 0.179 nan 8.250 nan 0.000 0.467 85 K N 0.161 120.493 120.400 -0.113 0.000 2.228 85 K HA 0.046 4.366 4.320 0.001 0.000 0.202 85 K C 1.752 178.303 176.600 -0.081 0.000 1.051 85 K CA 0.996 57.229 56.287 -0.089 0.000 0.960 85 K CB 0.097 32.548 32.500 -0.082 0.000 0.743 85 K HN 0.244 nan 8.250 nan 0.000 0.458 86 M N -0.035 119.511 119.600 -0.090 0.000 2.514 86 M HA -0.010 4.470 4.480 0.001 0.000 0.258 86 M C 0.266 176.518 176.300 -0.080 0.000 1.119 86 M CA 0.392 55.644 55.300 -0.079 0.000 1.111 86 M CB 0.148 32.700 32.600 -0.080 0.000 1.390 86 M HN -0.100 nan 8.290 nan 0.000 0.475 87 N N 0.005 118.648 118.700 -0.095 0.000 2.793 87 N HA 0.202 4.943 4.740 0.001 0.000 0.251 87 N C -2.616 172.832 175.510 -0.103 0.000 1.308 87 N CA -1.237 51.756 53.050 -0.095 0.000 0.781 87 N CB 1.197 39.621 38.487 -0.105 0.000 1.439 87 N HN -0.249 nan 8.380 nan 0.000 0.562 88 P HA -0.054 nan 4.420 nan 0.000 0.222 88 P C 0.933 178.178 177.300 -0.092 0.000 1.147 88 P CA 0.889 63.938 63.100 -0.086 0.000 0.790 88 P CB 0.446 32.105 31.700 -0.068 0.000 0.780 89 K N -0.966 119.377 120.400 -0.095 0.000 2.288 89 K HA 0.009 4.329 4.320 0.001 0.000 0.201 89 K C 0.945 177.455 176.600 -0.149 0.000 1.048 89 K CA 0.078 56.303 56.287 -0.103 0.000 0.956 89 K CB -0.889 31.557 32.500 -0.090 0.000 0.746 89 K HN 0.208 nan 8.250 nan 0.000 0.461 90 L N 2.068 123.195 121.223 -0.159 0.000 2.483 90 L HA -0.013 4.327 4.340 0.001 0.000 0.276 90 L C -0.240 176.507 176.870 -0.206 0.000 1.213 90 L CA 0.809 55.527 54.840 -0.203 0.000 0.843 90 L CB 0.402 42.344 42.059 -0.194 0.000 1.107 90 L HN -0.124 nan 8.230 nan 0.000 0.487 91 K N 3.119 123.367 120.400 -0.253 0.000 2.426 91 K HA 0.452 4.773 4.320 0.001 0.000 0.254 91 K C -0.777 175.817 176.600 -0.009 0.000 0.936 91 K CA -0.480 55.722 56.287 -0.142 0.000 0.801 91 K CB 1.808 34.198 32.500 -0.183 0.000 1.139 91 K HN 0.788 nan 8.250 nan 0.000 0.424 92 T N 0.203 114.804 114.554 0.078 0.000 2.855 92 T HA 0.769 5.119 4.350 0.001 0.000 0.281 92 T C -0.249 174.694 174.700 0.405 0.000 1.007 92 T CA -0.814 61.441 62.100 0.258 0.000 1.009 92 T CB 1.000 70.023 68.868 0.260 0.000 0.983 92 T HN 0.226 nan 8.240 nan 0.000 0.455 93 L N 1.921 123.414 121.223 0.450 0.000 2.371 93 L HA 0.677 5.017 4.340 0.001 0.000 0.262 93 L C -0.909 176.024 176.870 0.105 0.000 1.006 93 L CA -1.020 53.995 54.840 0.292 0.000 0.818 93 L CB 2.027 44.228 42.059 0.235 0.000 1.354 93 L HN 0.693 nan 8.230 nan 0.000 0.415 94 L N 1.997 123.071 121.223 -0.250 0.000 2.295 94 L HA 0.882 5.222 4.340 0.001 0.000 0.285 94 L C -0.233 176.601 176.870 -0.059 0.000 1.035 94 L CA -0.154 54.386 54.840 -0.499 0.000 0.806 94 L CB 1.245 42.675 42.059 -1.049 0.000 1.214 94 L HN 0.714 nan 8.230 nan 0.000 0.426 95 A N 6.322 129.214 122.820 0.119 0.000 2.305 95 A HA 0.621 4.941 4.320 0.001 0.000 0.322 95 A C -0.691 177.104 177.584 0.352 0.000 1.187 95 A CA -0.528 51.707 52.037 0.330 0.000 0.825 95 A CB 0.565 19.889 19.000 0.541 0.000 1.164 95 A HN 0.813 nan 8.150 nan 0.000 0.498 96 I N 2.543 123.271 120.570 0.263 0.000 2.406 96 I HA 0.636 4.806 4.170 0.001 0.000 0.290 96 I C 0.549 176.576 176.117 -0.149 0.000 0.999 96 I CA 0.992 62.311 61.300 0.031 0.000 1.124 96 I CB 1.280 39.277 38.000 -0.005 0.000 1.289 96 I HN 1.175 nan 8.210 nan 0.000 0.441 97 G N 4.554 112.963 108.800 -0.651 0.000 2.541 97 G HA2 0.336 4.296 3.960 0.001 0.000 0.208 97 G HA3 0.336 4.296 3.960 0.001 0.000 0.208 97 G C 0.119 174.409 174.900 -1.018 0.000 1.191 97 G CA -0.162 44.431 45.100 -0.844 0.000 1.217 97 G HN 1.809 nan 8.290 nan 0.000 0.566 98 G N -2.197 106.124 108.800 -0.798 0.000 2.409 98 G HA2 0.143 4.104 3.960 0.001 0.000 0.421 98 G HA3 0.143 4.104 3.960 0.001 0.000 0.421 98 G C 0.628 175.387 174.900 -0.235 0.000 1.259 98 G CA 0.545 45.127 45.100 -0.863 0.000 1.011 98 G HN 1.790 nan 8.290 nan 0.000 0.497 99 W N 0.625 121.745 121.300 -0.300 0.000 2.480 99 W HA 0.021 4.681 4.660 0.000 0.000 0.299 99 W C 2.106 178.526 176.519 -0.166 0.000 1.187 99 W CA 1.480 58.686 57.345 -0.231 0.000 1.347 99 W CB -0.039 29.304 29.460 -0.195 0.000 1.121 99 W HN 0.643 nan 8.180 nan 0.000 0.533 100 N N 0.154 118.806 118.700 -0.080 0.000 2.459 100 N HA -0.166 4.575 4.740 0.001 0.000 0.181 100 N C 1.518 176.930 175.510 -0.163 0.000 1.046 100 N CA 0.632 53.584 53.050 -0.163 0.000 0.904 100 N CB -0.472 37.965 38.487 -0.085 0.000 0.964 100 N HN -0.019 nan 8.380 nan 0.000 0.444 101 F N 1.659 121.435 119.950 -0.290 0.000 2.293 101 F HA -0.000 4.527 4.527 0.001 0.000 0.300 101 F C 1.652 177.300 175.800 -0.254 0.000 1.086 101 F CA 1.056 58.900 58.000 -0.260 0.000 1.375 101 F CB -0.363 38.482 39.000 -0.257 0.000 1.045 101 F HN 0.048 nan 8.300 nan 0.000 0.516 102 G N -0.294 108.354 108.800 -0.254 0.000 2.562 102 G HA2 -0.328 3.632 3.960 0.001 0.000 0.250 102 G HA3 -0.328 3.632 3.960 0.001 0.000 0.250 102 G C 0.614 175.414 174.900 -0.167 0.000 1.269 102 G CA 0.686 45.598 45.100 -0.314 0.000 0.919 102 G HN 0.751 nan 8.290 nan 0.000 0.574 103 T N -3.395 111.057 114.554 -0.169 0.000 2.993 103 T HA 0.341 4.691 4.350 0.001 0.000 0.260 103 T C 1.697 176.318 174.700 -0.132 0.000 0.939 103 T CA 1.247 63.320 62.100 -0.045 0.000 0.886 103 T CB 0.389 69.327 68.868 0.117 0.000 1.209 103 T HN 0.806 nan 8.240 nan 0.000 0.518 104 Q N 2.717 122.389 119.800 -0.213 0.000 1.935 104 Q HA -0.130 4.211 4.340 0.001 0.000 0.212 104 Q C 2.008 177.842 176.000 -0.276 0.000 1.008 104 Q CA 2.203 57.875 55.803 -0.219 0.000 0.868 104 Q CB -0.460 28.128 28.738 -0.249 0.000 0.946 104 Q HN 0.553 nan 8.270 nan 0.000 0.418 105 K N -0.937 119.203 120.400 -0.434 0.000 2.228 105 K HA -0.186 4.135 4.320 0.001 0.000 0.205 105 K C 2.028 178.359 176.600 -0.448 0.000 1.045 105 K CA 1.379 57.378 56.287 -0.479 0.000 0.931 105 K CB -0.298 31.808 32.500 -0.656 0.000 0.727 105 K HN 0.227 nan 8.250 nan 0.000 0.458 106 F N 0.609 120.273 119.950 -0.476 0.000 2.074 106 F HA -0.156 4.371 4.527 0.001 0.000 0.290 106 F C 2.601 178.029 175.800 -0.620 0.000 1.118 106 F CA 1.115 58.670 58.000 -0.742 0.000 1.199 106 F CB -0.289 37.823 39.000 -1.481 0.000 1.012 106 F HN -0.073 nan 8.300 nan 0.000 0.472 107 T N -0.314 114.125 114.554 -0.191 0.000 2.778 107 T HA -0.210 4.140 4.350 0.001 0.000 0.269 107 T C 1.328 176.034 174.700 0.010 0.000 1.050 107 T CA 1.625 63.745 62.100 0.033 0.000 1.137 107 T CB -0.376 68.561 68.868 0.115 0.000 0.860 107 T HN 0.198 nan 8.240 nan 0.000 0.468 108 D N 0.983 121.347 120.400 -0.060 0.000 2.075 108 D HA -0.064 4.576 4.640 0.001 0.000 0.196 108 D C 2.126 178.457 176.300 0.052 0.000 0.985 108 D CA 0.810 54.799 54.000 -0.017 0.000 0.834 108 D CB -0.459 40.288 40.800 -0.089 0.000 0.987 108 D HN 0.185 nan 8.370 nan 0.000 0.452 109 M N 1.580 121.180 119.600 -0.001 0.000 2.192 109 M HA -0.155 4.325 4.480 0.001 0.000 0.259 109 M C 1.927 178.262 176.300 0.058 0.000 1.071 109 M CA 1.437 56.799 55.300 0.104 0.000 1.082 109 M CB -0.242 32.273 32.600 -0.143 0.000 1.373 109 M HN 0.015 nan 8.290 nan 0.000 0.408 110 V N -2.188 117.749 119.914 0.038 0.000 3.608 110 V HA 0.259 4.379 4.120 0.001 0.000 0.269 110 V C 2.241 178.391 176.094 0.093 0.000 1.245 110 V CA 0.890 63.243 62.300 0.088 0.000 1.138 110 V CB -1.358 30.576 31.823 0.186 0.000 0.841 110 V HN 0.368 nan 8.190 nan 0.000 0.451 111 A N 2.003 124.872 122.820 0.081 0.000 1.877 111 A HA -0.001 4.319 4.320 0.001 0.000 0.216 111 A C 1.637 179.249 177.584 0.047 0.000 1.186 111 A CA 2.038 54.115 52.037 0.067 0.000 0.620 111 A CB -0.964 18.070 19.000 0.058 0.000 0.822 111 A HN 0.869 nan 8.150 nan 0.000 0.443 112 T N -4.279 110.296 114.554 0.036 0.000 2.823 112 T HA 0.658 5.008 4.350 0.001 0.000 0.279 112 T C 0.744 175.451 174.700 0.013 0.000 0.998 112 T CA -0.121 61.988 62.100 0.015 0.000 0.994 112 T CB 1.780 70.644 68.868 -0.007 0.000 0.960 112 T HN 0.606 nan 8.240 nan 0.000 0.448 113 A N 2.678 125.506 122.820 0.014 0.000 2.076 113 A HA -0.105 4.215 4.320 0.001 0.000 0.220 113 A C 2.158 179.748 177.584 0.009 0.000 1.160 113 A CA 1.812 53.859 52.037 0.017 0.000 0.653 113 A CB -1.070 17.939 19.000 0.016 0.000 0.801 113 A HN 0.884 nan 8.150 nan 0.000 0.455 114 N N -0.227 118.466 118.700 -0.012 0.000 2.354 114 N HA -0.053 4.688 4.740 0.001 0.000 0.179 114 N C 1.441 176.918 175.510 -0.054 0.000 1.021 114 N CA 1.610 54.644 53.050 -0.027 0.000 0.887 114 N CB -0.358 38.105 38.487 -0.039 0.000 0.974 114 N HN 0.658 nan 8.380 nan 0.000 0.437 115 N N -0.655 117.991 118.700 -0.089 0.000 2.368 115 N HA 0.004 4.745 4.740 0.001 0.000 0.176 115 N C 1.630 177.156 175.510 0.028 0.000 1.021 115 N CA 0.022 52.971 53.050 -0.168 0.000 0.888 115 N CB 0.177 38.471 38.487 -0.320 0.000 0.995 115 N HN 0.169 nan 8.380 nan 0.000 0.437 116 R N 1.266 121.799 120.500 0.055 0.000 2.073 116 R HA -0.127 4.214 4.340 0.001 0.000 0.234 116 R C 1.885 178.275 176.300 0.150 0.000 1.134 116 R CA 1.477 57.642 56.100 0.109 0.000 0.952 116 R CB 0.037 30.381 30.300 0.074 0.000 0.850 116 R HN 0.073 nan 8.270 nan 0.000 0.433 117 Q N -0.393 119.460 119.800 0.088 0.000 2.226 117 Q HA -0.081 4.259 4.340 0.001 0.000 0.204 117 Q C 1.770 177.824 176.000 0.090 0.000 0.975 117 Q CA 2.025 57.876 55.803 0.080 0.000 0.866 117 Q CB -0.082 28.683 28.738 0.045 0.000 0.915 117 Q HN 0.364 nan 8.270 nan 0.000 0.440 118 T N -0.182 114.427 114.554 0.091 0.000 2.777 118 T HA -0.118 4.232 4.350 0.001 0.000 0.266 118 T C 1.286 176.070 174.700 0.141 0.000 1.040 118 T CA 1.126 63.280 62.100 0.092 0.000 1.141 118 T CB -0.405 68.503 68.868 0.067 0.000 0.868 118 T HN 0.306 nan 8.240 nan 0.000 0.444 119 F N 2.094 122.073 119.950 0.047 0.000 2.051 119 F HA -0.113 4.415 4.527 0.000 0.000 0.296 119 F C 2.338 178.172 175.800 0.057 0.000 1.122 119 F CA 0.816 58.843 58.000 0.045 0.000 1.201 119 F CB -0.841 38.182 39.000 0.037 0.000 0.978 119 F HN -0.128 nan 8.300 nan 0.000 0.472 120 V N 1.104 121.098 119.914 0.133 0.000 2.313 120 V HA -0.416 3.705 4.120 0.001 0.000 0.253 120 V C 2.063 178.164 176.094 0.011 0.000 1.070 120 V CA 2.432 64.756 62.300 0.041 0.000 1.057 120 V CB -0.936 30.941 31.823 0.091 0.000 0.653 120 V HN 0.397 nan 8.190 nan 0.000 0.450 121 N N 0.142 118.856 118.700 0.023 0.000 2.207 121 N HA -0.100 4.640 4.740 0.001 0.000 0.182 121 N C 2.089 177.605 175.510 0.010 0.000 1.020 121 N CA 1.566 54.636 53.050 0.033 0.000 0.858 121 N CB -0.494 38.019 38.487 0.043 0.000 0.991 121 N HN 0.640 nan 8.380 nan 0.000 0.427 122 S N 0.281 115.960 115.700 -0.035 0.000 2.382 122 S HA 0.002 4.472 4.470 0.001 0.000 0.228 122 S C 2.078 176.648 174.600 -0.051 0.000 1.027 122 S CA 0.953 59.140 58.200 -0.022 0.000 0.991 122 S CB -0.513 62.658 63.200 -0.049 0.000 0.823 122 S HN 0.318 nan 8.310 nan 0.000 0.469 123 A N 2.680 125.361 122.820 -0.231 0.000 1.841 123 A HA 0.013 4.333 4.320 0.001 0.000 0.216 123 A C 2.258 179.870 177.584 0.048 0.000 1.199 123 A CA 1.688 53.617 52.037 -0.180 0.000 0.621 123 A CB -1.107 17.727 19.000 -0.276 0.000 0.835 123 A HN 0.568 nan 8.150 nan 0.000 0.445 124 I N -0.755 119.863 120.570 0.081 0.000 2.248 124 I HA -0.320 3.850 4.170 0.001 0.000 0.248 124 I C 2.762 178.905 176.117 0.043 0.000 1.107 124 I CA 2.080 63.411 61.300 0.051 0.000 1.373 124 I CB -0.367 37.681 38.000 0.080 0.000 1.055 124 I HN 0.473 nan 8.210 nan 0.000 0.418 125 R N 0.568 121.114 120.500 0.076 0.000 2.075 125 R HA -0.150 4.190 4.340 0.001 0.000 0.226 125 R C 2.446 178.826 176.300 0.133 0.000 1.114 125 R CA 1.122 57.268 56.100 0.078 0.000 0.972 125 R CB -0.401 29.947 30.300 0.080 0.000 0.869 125 R HN 0.139 nan 8.270 nan 0.000 0.437 126 F N 1.542 121.527 119.950 0.058 0.000 2.095 126 F HA -0.159 4.368 4.527 0.001 0.000 0.298 126 F C 1.883 177.830 175.800 0.244 0.000 1.104 126 F CA 1.679 59.783 58.000 0.173 0.000 1.232 126 F CB -0.160 38.912 39.000 0.119 0.000 0.987 126 F HN -0.017 nan 8.300 nan 0.000 0.475 127 L N -0.579 120.840 121.223 0.327 0.000 2.017 127 L HA -0.205 4.135 4.340 0.001 0.000 0.208 127 L C 2.586 179.547 176.870 0.151 0.000 1.073 127 L CA 1.012 56.021 54.840 0.281 0.000 0.745 127 L CB -0.706 41.427 42.059 0.123 0.000 0.894 127 L HN -0.023 nan 8.230 nan 0.000 0.432 128 R N 0.432 120.956 120.500 0.040 0.000 2.148 128 R HA -0.128 4.212 4.340 0.001 0.000 0.227 128 R C 2.101 178.346 176.300 -0.091 0.000 1.103 128 R CA 0.974 57.054 56.100 -0.033 0.000 0.983 128 R CB -0.454 29.819 30.300 -0.047 0.000 0.874 128 R HN 0.400 nan 8.270 nan 0.000 0.451 129 K N -0.299 120.016 120.400 -0.142 0.000 2.103 129 K HA -0.102 4.219 4.320 0.001 0.000 0.204 129 K C 0.810 177.090 176.600 -0.534 0.000 1.052 129 K CA 1.167 57.230 56.287 -0.373 0.000 0.945 129 K CB 0.143 32.317 32.500 -0.544 0.000 0.722 129 K HN 0.158 nan 8.250 nan 0.000 0.443 130 Y N 0.082 120.289 120.300 -0.154 0.000 2.467 130 Y HA 0.230 4.780 4.550 0.001 0.000 0.250 130 Y C 0.093 175.760 175.900 -0.388 0.000 1.155 130 Y CA -0.200 57.763 58.100 -0.228 0.000 1.249 130 Y CB 0.952 39.310 38.460 -0.169 0.000 1.146 130 Y HN -0.101 nan 8.280 nan 0.000 0.524 131 S N 0.293 115.886 115.700 -0.179 0.000 4.044 131 S HA -0.174 4.296 4.470 0.001 0.000 0.371 131 S C -0.699 173.723 174.600 -0.296 0.000 0.977 131 S CA -0.167 57.906 58.200 -0.213 0.000 1.092 131 S CB -2.129 60.942 63.200 -0.215 0.000 0.845 131 S HN 0.289 nan 8.310 nan 0.000 0.496 132 F N 1.524 121.455 119.950 -0.031 0.000 2.422 132 F HA 0.401 4.928 4.527 0.001 0.000 0.333 132 F C 1.451 177.232 175.800 -0.032 0.000 1.095 132 F CA -1.112 56.877 58.000 -0.018 0.000 1.038 132 F CB 0.815 39.800 39.000 -0.024 0.000 1.156 132 F HN 0.083 nan 8.300 nan 0.000 0.483 133 D N 1.514 122.030 120.400 0.194 0.000 2.340 133 D HA 0.223 4.863 4.640 0.001 0.000 0.220 133 D C 0.832 177.184 176.300 0.085 0.000 1.039 133 D CA 0.502 54.558 54.000 0.093 0.000 0.866 133 D CB 0.658 41.509 40.800 0.085 0.000 0.913 133 D HN 0.669 nan 8.370 nan 0.000 0.523 134 G N 0.378 109.257 108.800 0.132 0.000 2.441 134 G HA2 0.430 4.390 3.960 0.001 0.000 0.294 134 G HA3 0.430 4.390 3.960 0.001 0.000 0.294 134 G C -2.253 172.723 174.900 0.126 0.000 1.393 134 G CA -0.821 44.341 45.100 0.104 0.000 0.796 134 G HN 0.089 nan 8.290 nan 0.000 0.494 135 L N 0.151 121.491 121.223 0.195 0.000 2.386 135 L HA 0.800 5.141 4.340 0.001 0.000 0.271 135 L C -1.535 175.437 176.870 0.171 0.000 0.993 135 L CA -0.701 54.244 54.840 0.175 0.000 0.819 135 L CB 2.311 44.525 42.059 0.257 0.000 1.294 135 L HN 0.562 nan 8.230 nan 0.000 0.414 136 D N 4.089 124.594 120.400 0.175 0.000 2.256 136 D HA 0.393 5.033 4.640 0.001 0.000 0.240 136 D C -1.048 175.417 176.300 0.274 0.000 1.062 136 D CA -0.086 54.039 54.000 0.208 0.000 0.832 136 D CB 1.213 42.179 40.800 0.277 0.000 1.135 136 D HN 0.514 nan 8.370 nan 0.000 0.484 137 L N 3.547 124.933 121.223 0.272 0.000 2.265 137 L HA 0.309 4.650 4.340 0.001 0.000 0.288 137 L C 0.035 177.102 176.870 0.329 0.000 1.058 137 L CA -0.319 54.724 54.840 0.339 0.000 0.809 137 L CB 1.165 43.453 42.059 0.383 0.000 1.179 137 L HN 0.444 nan 8.230 nan 0.000 0.429 138 D N 3.118 123.692 120.400 0.290 0.000 3.010 138 D HA 0.046 4.687 4.640 0.001 0.000 0.347 138 D C -0.694 175.639 176.300 0.054 0.000 1.340 138 D CA -0.438 53.675 54.000 0.188 0.000 0.858 138 D CB 0.279 41.222 40.800 0.238 0.000 1.111 138 D HN 0.260 nan 8.370 nan 0.000 0.482 139 W N 2.075 123.184 121.300 -0.320 0.000 2.485 139 W HA 0.283 4.943 4.660 0.001 0.000 0.315 139 W C -0.543 175.642 176.519 -0.557 0.000 1.304 139 W CA -0.443 56.458 57.345 -0.740 0.000 1.345 139 W CB 0.109 28.878 29.460 -1.153 0.000 1.368 139 W HN 0.161 nan 8.180 nan 0.000 0.497 140 E N 6.475 126.587 120.200 -0.147 0.000 2.256 140 E HA 0.198 4.549 4.350 0.001 0.000 0.243 140 E C -1.449 174.805 176.600 -0.575 0.000 0.925 140 E CA -0.369 55.488 56.400 -0.905 0.000 0.748 140 E CB 0.820 29.921 29.700 -1.000 0.000 1.206 140 E HN 0.243 nan 8.360 nan 0.000 0.428 141 Y N 0.310 120.529 120.300 -0.136 0.000 2.588 141 Y HA 0.334 4.885 4.550 0.001 0.000 0.343 141 Y C -2.473 172.931 175.900 -0.827 0.000 1.065 141 Y CA -3.063 54.811 58.100 -0.376 0.000 1.038 141 Y CB 1.168 39.482 38.460 -0.244 0.000 1.297 141 Y HN 0.272 nan 8.280 nan 0.000 0.467 142 P HA 0.155 nan 4.420 nan 0.000 0.266 142 P C 0.440 177.295 177.300 -0.741 0.000 1.215 142 P CA 1.398 63.477 63.100 -1.702 0.000 0.763 142 P CB 0.276 30.719 31.700 -2.095 0.000 0.806 143 G N 1.723 110.271 108.800 -0.420 0.000 2.182 143 G HA2 -0.166 3.794 3.960 0.001 0.000 0.248 143 G HA3 -0.166 3.794 3.960 0.001 0.000 0.248 143 G C 0.148 175.006 174.900 -0.070 0.000 1.042 143 G CA 0.014 45.001 45.100 -0.189 0.000 0.775 143 G HN 0.559 nan 8.290 nan 0.000 0.501 144 S N -1.184 114.505 115.700 -0.017 0.000 2.688 144 S HA 0.631 5.101 4.470 0.001 0.000 0.275 144 S C -0.019 174.630 174.600 0.081 0.000 1.175 144 S CA -0.293 57.962 58.200 0.091 0.000 0.818 144 S CB 1.388 64.714 63.200 0.210 0.000 1.157 144 S HN 0.655 nan 8.310 nan 0.000 0.482 145 Q N 0.205 120.062 119.800 0.095 0.000 2.411 145 Q HA -0.199 4.142 4.340 0.001 0.000 0.305 145 Q C 0.642 176.634 176.000 -0.013 0.000 1.273 145 Q CA 1.312 57.121 55.803 0.010 0.000 0.895 145 Q CB -2.286 26.398 28.738 -0.090 0.000 1.198 145 Q HN 1.663 nan 8.270 nan 0.000 0.470 146 G N -0.678 108.128 108.800 0.011 0.000 2.248 146 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 146 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 146 G C -0.209 174.706 174.900 0.026 0.000 1.085 146 G CA 0.428 45.529 45.100 0.002 0.000 0.845 146 G HN 0.733 nan 8.290 nan 0.000 0.494 147 S N 0.236 115.963 115.700 0.045 0.000 2.605 147 S HA 0.712 5.182 4.470 0.001 0.000 0.308 147 S C -2.231 172.392 174.600 0.038 0.000 1.113 147 S CA -1.265 56.984 58.200 0.082 0.000 1.049 147 S CB 1.696 64.974 63.200 0.131 0.000 1.001 147 S HN 0.130 nan 8.310 nan 0.000 0.480 148 P HA 0.039 nan 4.420 nan 0.000 0.263 148 P C 0.200 177.495 177.300 -0.007 0.000 1.175 148 P CA 0.167 63.280 63.100 0.021 0.000 0.761 148 P CB 0.410 32.131 31.700 0.036 0.000 0.794 149 A N 3.535 126.343 122.820 -0.020 0.000 2.259 149 A HA -0.102 4.218 4.320 0.001 0.000 0.212 149 A C 1.589 179.148 177.584 -0.042 0.000 1.178 149 A CA 1.492 53.504 52.037 -0.041 0.000 0.734 149 A CB -1.225 17.755 19.000 -0.033 0.000 0.774 149 A HN 0.520 nan 8.150 nan 0.000 0.481 150 V N -3.449 116.453 119.914 -0.020 0.000 2.725 150 V HA -0.055 4.065 4.120 0.001 0.000 0.247 150 V C 1.568 177.655 176.094 -0.011 0.000 1.058 150 V CA 1.387 63.683 62.300 -0.008 0.000 1.080 150 V CB -0.659 31.173 31.823 0.015 0.000 0.713 150 V HN 0.336 nan 8.190 nan 0.000 0.465 151 D N 1.301 121.696 120.400 -0.009 0.000 2.271 151 D HA -0.224 4.417 4.640 0.001 0.000 0.207 151 D C 1.978 178.170 176.300 -0.180 0.000 0.983 151 D CA 1.877 55.867 54.000 -0.016 0.000 0.878 151 D CB -0.100 40.704 40.800 0.007 0.000 0.920 151 D HN 0.655 nan 8.370 nan 0.000 0.479 152 K N 1.088 121.368 120.400 -0.199 0.000 2.032 152 K HA -0.196 4.124 4.320 0.001 0.000 0.209 152 K C 1.801 178.353 176.600 -0.081 0.000 1.048 152 K CA 1.351 57.507 56.287 -0.219 0.000 0.927 152 K CB 0.098 32.503 32.500 -0.159 0.000 0.712 152 K HN 0.117 nan 8.250 nan 0.000 0.441 153 E N 0.080 120.258 120.200 -0.036 0.000 2.047 153 E HA -0.161 4.189 4.350 0.001 0.000 0.191 153 E C 2.261 178.877 176.600 0.027 0.000 0.987 153 E CA 1.078 57.478 56.400 0.001 0.000 0.799 153 E CB -0.036 29.666 29.700 0.002 0.000 0.752 153 E HN 0.305 nan 8.360 nan 0.000 0.449 154 R N 0.149 120.681 120.500 0.052 0.000 2.081 154 R HA -0.148 4.193 4.340 0.001 0.000 0.235 154 R C 2.295 178.678 176.300 0.139 0.000 1.131 154 R CA 1.255 57.416 56.100 0.103 0.000 0.960 154 R CB -0.472 29.924 30.300 0.161 0.000 0.856 154 R HN 0.158 nan 8.270 nan 0.000 0.436 155 F N 1.925 121.851 119.950 -0.040 0.000 2.120 155 F HA -0.247 4.281 4.527 0.001 0.000 0.300 155 F C 2.092 177.879 175.800 -0.022 0.000 1.095 155 F CA 1.856 59.820 58.000 -0.059 0.000 1.249 155 F CB -0.548 38.207 39.000 -0.408 0.000 0.995 155 F HN -0.111 nan 8.300 nan 0.000 0.480 156 T N -0.641 113.875 114.554 -0.062 0.000 2.746 156 T HA -0.182 4.168 4.350 0.001 0.000 0.267 156 T C 1.871 176.497 174.700 -0.124 0.000 1.039 156 T CA 2.028 64.056 62.100 -0.120 0.000 1.142 156 T CB -0.648 68.211 68.868 -0.014 0.000 0.866 156 T HN 0.318 nan 8.240 nan 0.000 0.444 157 T N 2.209 116.730 114.554 -0.056 0.000 2.788 157 T HA -0.012 4.339 4.350 0.001 0.000 0.268 157 T C 1.863 176.530 174.700 -0.056 0.000 1.044 157 T CA 0.684 62.763 62.100 -0.035 0.000 1.139 157 T CB -0.393 68.480 68.868 0.008 0.000 0.867 157 T HN 0.118 nan 8.240 nan 0.000 0.454 158 L N 1.316 122.498 121.223 -0.069 0.000 2.017 158 L HA -0.011 4.329 4.340 0.001 0.000 0.208 158 L C 2.427 179.202 176.870 -0.158 0.000 1.073 158 L CA 1.485 56.287 54.840 -0.064 0.000 0.745 158 L CB -0.744 41.310 42.059 -0.009 0.000 0.894 158 L HN 0.061 nan 8.230 nan 0.000 0.432 159 V N -0.340 119.386 119.914 -0.313 0.000 2.295 159 V HA -0.333 3.787 4.120 0.001 0.000 0.246 159 V C 2.565 178.542 176.094 -0.195 0.000 1.049 159 V CA 2.127 64.240 62.300 -0.312 0.000 1.024 159 V CB -0.708 30.869 31.823 -0.410 0.000 0.648 159 V HN 0.562 nan 8.190 nan 0.000 0.447 160 Q N -0.594 119.119 119.800 -0.144 0.000 2.124 160 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 160 Q C 2.031 177.978 176.000 -0.088 0.000 0.977 160 Q CA 1.725 57.473 55.803 -0.092 0.000 0.850 160 Q CB -0.231 28.473 28.738 -0.057 0.000 0.901 160 Q HN 0.627 nan 8.270 nan 0.000 0.429 161 D N 0.729 121.080 120.400 -0.083 0.000 2.084 161 D HA -0.113 4.527 4.640 0.001 0.000 0.196 161 D C 1.944 178.169 176.300 -0.124 0.000 0.985 161 D CA 0.907 54.870 54.000 -0.062 0.000 0.826 161 D CB -0.252 40.537 40.800 -0.019 0.000 0.978 161 D HN 0.114 nan 8.370 nan 0.000 0.456 162 L N 0.661 121.761 121.223 -0.204 0.000 2.013 162 L HA -0.233 4.108 4.340 0.001 0.000 0.212 162 L C 2.498 178.997 176.870 -0.619 0.000 1.073 162 L CA 1.384 55.931 54.840 -0.489 0.000 0.753 162 L CB -0.503 41.237 42.059 -0.530 0.000 0.890 162 L HN -0.004 nan 8.230 nan 0.000 0.432 163 A N 0.304 122.911 122.820 -0.355 0.000 1.873 163 A HA -0.264 4.056 4.320 0.001 0.000 0.218 163 A C 2.079 179.621 177.584 -0.069 0.000 1.193 163 A CA 2.292 54.214 52.037 -0.191 0.000 0.629 163 A CB -0.700 18.238 19.000 -0.104 0.000 0.826 163 A HN 0.482 nan 8.150 nan 0.000 0.447 164 N N 0.343 119.011 118.700 -0.054 0.000 2.084 164 N HA -0.109 4.631 4.740 0.001 0.000 0.190 164 N C 1.935 177.474 175.510 0.048 0.000 1.030 164 N CA 1.705 54.758 53.050 0.005 0.000 0.849 164 N CB -0.775 37.712 38.487 -0.000 0.000 1.012 164 N HN 0.478 nan 8.380 nan 0.000 0.423 165 A N 0.954 123.795 122.820 0.034 0.000 1.908 165 A HA -0.130 4.190 4.320 0.001 0.000 0.218 165 A C 1.918 179.679 177.584 0.294 0.000 1.181 165 A CA 1.134 53.247 52.037 0.127 0.000 0.627 165 A CB -0.782 18.287 19.000 0.114 0.000 0.818 165 A HN 0.150 nan 8.150 nan 0.000 0.445 166 F N -0.344 119.619 119.950 0.022 0.000 2.186 166 F HA -0.098 4.429 4.527 0.001 0.000 0.299 166 F C 2.520 178.333 175.800 0.023 0.000 1.090 166 F CA 1.386 59.400 58.000 0.023 0.000 1.307 166 F CB -1.099 37.916 39.000 0.025 0.000 1.019 166 F HN 0.355 nan 8.300 nan 0.000 0.489 167 Q N 0.409 120.340 119.800 0.219 0.000 2.079 167 Q HA -0.204 4.136 4.340 0.001 0.000 0.200 167 Q C 2.186 178.242 176.000 0.093 0.000 0.974 167 Q CA 1.678 57.556 55.803 0.126 0.000 0.840 167 Q CB -0.275 28.516 28.738 0.088 0.000 0.898 167 Q HN 0.327 nan 8.270 nan 0.000 0.430 168 Q N 0.294 120.150 119.800 0.093 0.000 1.990 168 Q HA -0.172 4.169 4.340 0.001 0.000 0.200 168 Q C 1.944 177.981 176.000 0.062 0.000 0.980 168 Q CA 1.960 57.804 55.803 0.068 0.000 0.832 168 Q CB -0.435 28.342 28.738 0.065 0.000 0.897 168 Q HN 0.450 nan 8.270 nan 0.000 0.427 169 E N -0.167 120.080 120.200 0.078 0.000 2.086 169 E HA -0.275 4.075 4.350 0.001 0.000 0.200 169 E C 1.694 178.309 176.600 0.025 0.000 1.012 169 E CA 1.667 58.098 56.400 0.050 0.000 0.812 169 E CB -0.322 29.411 29.700 0.054 0.000 0.743 169 E HN 0.427 nan 8.360 nan 0.000 0.453 170 A N 0.756 123.593 122.820 0.029 0.000 1.933 170 A HA -0.212 4.109 4.320 0.001 0.000 0.218 170 A C 2.164 179.758 177.584 0.017 0.000 1.175 170 A CA 1.673 53.718 52.037 0.014 0.000 0.628 170 A CB -0.484 18.529 19.000 0.023 0.000 0.814 170 A HN 0.362 nan 8.150 nan 0.000 0.444 171 Q N -0.945 118.871 119.800 0.026 0.000 2.123 171 Q HA -0.115 4.226 4.340 0.001 0.000 0.199 171 Q C 2.249 178.259 176.000 0.016 0.000 0.966 171 Q CA 1.877 57.693 55.803 0.022 0.000 0.845 171 Q CB -0.239 28.515 28.738 0.027 0.000 0.907 171 Q HN 0.881 nan 8.270 nan 0.000 0.439 172 T N -2.745 111.819 114.554 0.017 0.000 3.067 172 T HA 0.019 4.369 4.350 0.001 0.000 0.257 172 T C 1.850 176.553 174.700 0.005 0.000 1.105 172 T CA 0.839 62.946 62.100 0.012 0.000 1.104 172 T CB 0.103 68.980 68.868 0.015 0.000 0.925 172 T HN 0.208 nan 8.240 nan 0.000 0.498 173 S N 0.207 115.908 115.700 0.002 0.000 2.502 173 S HA 0.445 4.915 4.470 0.001 0.000 0.215 173 S C 1.885 176.480 174.600 -0.009 0.000 1.009 173 S CA 0.372 58.568 58.200 -0.007 0.000 0.908 173 S CB -0.488 62.704 63.200 -0.013 0.000 0.801 173 S HN 1.189 nan 8.310 nan 0.000 0.505 174 G N 1.665 110.462 108.800 -0.005 0.000 2.249 174 G HA2 -0.265 3.696 3.960 0.001 0.000 0.273 174 G HA3 -0.265 3.696 3.960 0.001 0.000 0.273 174 G C -0.111 174.782 174.900 -0.011 0.000 1.036 174 G CA 0.617 45.714 45.100 -0.005 0.000 0.824 174 G HN 0.611 nan 8.290 nan 0.000 0.504 175 K N -0.578 119.813 120.400 -0.015 0.000 2.245 175 K HA 0.486 4.806 4.320 0.001 0.000 0.234 175 K C 0.200 176.789 176.600 -0.019 0.000 1.021 175 K CA -0.935 55.338 56.287 -0.023 0.000 0.898 175 K CB 1.470 33.949 32.500 -0.035 0.000 1.163 175 K HN 0.200 nan 8.250 nan 0.000 0.459 176 E N 2.020 122.207 120.200 -0.022 0.000 2.351 176 E HA -0.061 4.289 4.350 0.001 0.000 0.266 176 E C -0.377 176.211 176.600 -0.019 0.000 1.031 176 E CA -0.033 56.359 56.400 -0.012 0.000 0.911 176 E CB 0.531 30.224 29.700 -0.012 0.000 0.986 176 E HN 0.236 nan 8.360 nan 0.000 0.446 177 R N 4.681 125.182 120.500 0.002 0.000 2.494 177 R HA -0.065 4.275 4.340 0.001 0.000 0.291 177 R C -0.268 176.019 176.300 -0.022 0.000 0.953 177 R CA -0.093 56.011 56.100 0.006 0.000 1.098 177 R CB 0.188 30.521 30.300 0.055 0.000 0.911 177 R HN 0.538 nan 8.270 nan 0.000 0.407 178 L N 5.504 126.640 121.223 -0.145 0.000 2.483 178 L HA 0.082 4.422 4.340 0.001 0.000 0.276 178 L C 0.331 177.196 176.870 -0.008 0.000 1.213 178 L CA -0.018 54.669 54.840 -0.256 0.000 0.843 178 L CB 0.236 41.760 42.059 -0.892 0.000 1.107 178 L HN 0.506 nan 8.230 nan 0.000 0.487 179 L N 3.209 124.480 121.223 0.080 0.000 2.343 179 L HA 0.458 4.798 4.340 0.001 0.000 0.275 179 L C -0.511 176.502 176.870 0.237 0.000 1.056 179 L CA -0.565 54.380 54.840 0.174 0.000 0.804 179 L CB 1.596 43.759 42.059 0.174 0.000 1.203 179 L HN 0.374 nan 8.230 nan 0.000 0.440 180 L N 2.838 124.148 121.223 0.144 0.000 2.372 180 L HA 0.518 4.859 4.340 0.001 0.000 0.273 180 L C -0.207 176.568 176.870 -0.159 0.000 0.989 180 L CA 0.168 55.050 54.840 0.070 0.000 0.841 180 L CB 1.463 43.543 42.059 0.036 0.000 1.225 180 L HN 0.707 nan 8.230 nan 0.000 0.414 181 S N 3.593 119.159 115.700 -0.224 0.000 2.677 181 S HA 1.036 5.506 4.470 0.001 0.000 0.304 181 S C -0.613 173.960 174.600 -0.044 0.000 1.108 181 S CA -0.243 57.740 58.200 -0.363 0.000 0.944 181 S CB 2.006 64.665 63.200 -0.901 0.000 1.127 181 S HN 1.067 nan 8.310 nan 0.000 0.511 182 A N 0.182 123.021 122.820 0.032 0.000 2.515 182 A HA 0.883 5.203 4.320 0.001 0.000 0.298 182 A C -0.532 177.149 177.584 0.163 0.000 1.059 182 A CA -0.611 51.542 52.037 0.194 0.000 0.698 182 A CB 1.329 20.538 19.000 0.350 0.000 1.289 182 A HN 1.763 nan 8.150 nan 0.000 0.404 183 A N 1.379 124.319 122.820 0.200 0.000 2.280 183 A HA 0.580 4.901 4.320 0.001 0.000 0.320 183 A C 0.228 177.818 177.584 0.009 0.000 1.366 183 A CA -0.104 52.013 52.037 0.133 0.000 0.938 183 A CB -0.481 18.645 19.000 0.209 0.000 1.157 183 A HN 2.098 nan 8.150 nan 0.000 0.536 184 V N 1.027 120.831 119.914 -0.182 0.000 2.716 184 V HA 0.792 4.913 4.120 0.001 0.000 0.304 184 V C -2.537 173.393 176.094 -0.272 0.000 1.053 184 V CA -2.274 59.794 62.300 -0.386 0.000 0.984 184 V CB 1.492 32.827 31.823 -0.813 0.000 1.021 184 V HN 0.679 nan 8.190 nan 0.000 0.467 185 P HA 0.385 nan 4.420 nan 0.000 0.284 185 P C -0.052 177.283 177.300 0.058 0.000 1.258 185 P CA -0.445 62.634 63.100 -0.034 0.000 0.824 185 P CB 2.078 33.759 31.700 -0.032 0.000 1.038 186 A N 2.060 124.850 122.820 -0.049 0.000 2.275 186 A HA 0.317 4.637 4.320 0.001 0.000 0.212 186 A C 1.273 178.906 177.584 0.081 0.000 1.201 186 A CA 0.179 52.252 52.037 0.060 0.000 0.843 186 A CB -0.809 18.121 19.000 -0.117 0.000 0.873 186 A HN 0.624 nan 8.150 nan 0.000 0.492 187 G N -0.112 108.703 108.800 0.024 0.000 2.365 187 G HA2 0.341 4.302 3.960 0.001 0.000 0.293 187 G HA3 0.341 4.302 3.960 0.001 0.000 0.293 187 G C 0.621 175.476 174.900 -0.074 0.000 1.128 187 G CA 0.172 45.261 45.100 -0.018 0.000 0.971 187 G HN 0.325 nan 8.290 nan 0.000 0.422 188 Q N 2.881 122.644 119.800 -0.062 0.000 2.103 188 Q HA -0.246 4.094 4.340 0.001 0.000 0.213 188 Q C 2.258 178.162 176.000 -0.160 0.000 1.008 188 Q CA 3.027 58.773 55.803 -0.095 0.000 0.879 188 Q CB -0.797 27.899 28.738 -0.070 0.000 0.946 188 Q HN 0.533 nan 8.270 nan 0.000 0.413 189 T N -0.028 114.371 114.554 -0.259 0.000 2.529 189 T HA -0.200 4.151 4.350 0.001 0.000 0.261 189 T C 1.465 176.004 174.700 -0.268 0.000 1.110 189 T CA 1.858 63.763 62.100 -0.325 0.000 1.192 189 T CB -0.836 67.715 68.868 -0.529 0.000 0.864 189 T HN 0.405 nan 8.240 nan 0.000 0.407 190 Y N 1.347 121.533 120.300 -0.190 0.000 2.132 190 Y HA -0.184 4.366 4.550 0.001 0.000 0.280 190 Y C 2.577 178.435 175.900 -0.071 0.000 1.193 190 Y CA 0.129 58.087 58.100 -0.235 0.000 1.157 190 Y CB -1.691 36.419 38.460 -0.584 0.000 0.966 190 Y HN 0.016 nan 8.280 nan 0.000 0.511 191 V N 0.445 120.382 119.914 0.038 0.000 2.214 191 V HA -0.322 3.799 4.120 0.001 0.000 0.247 191 V C 1.948 178.025 176.094 -0.027 0.000 1.051 191 V CA 2.382 64.665 62.300 -0.028 0.000 1.003 191 V CB -0.716 30.971 31.823 -0.226 0.000 0.635 191 V HN 0.290 nan 8.190 nan 0.000 0.447 192 D N -0.162 120.183 120.400 -0.092 0.000 2.351 192 D HA -0.034 4.606 4.640 0.001 0.000 0.216 192 D C 1.889 178.157 176.300 -0.054 0.000 0.968 192 D CA 1.215 55.163 54.000 -0.086 0.000 0.899 192 D CB -0.152 40.589 40.800 -0.098 0.000 0.907 192 D HN 0.474 nan 8.370 nan 0.000 0.514 193 A N -0.401 122.401 122.820 -0.031 0.000 2.072 193 A HA 0.353 4.673 4.320 0.001 0.000 0.216 193 A C 1.768 179.304 177.584 -0.080 0.000 1.156 193 A CA 1.199 53.214 52.037 -0.038 0.000 0.701 193 A CB 0.322 19.316 19.000 -0.011 0.000 0.816 193 A HN 0.253 nan 8.150 nan 0.000 0.458 194 G N -2.250 106.494 108.800 -0.094 0.000 5.103 194 G HA2 0.397 4.357 3.960 0.001 0.000 0.233 194 G HA3 0.397 4.357 3.960 0.001 0.000 0.233 194 G C -0.820 173.764 174.900 -0.527 0.000 0.910 194 G CA -0.191 44.711 45.100 -0.331 0.000 0.763 194 G HN 0.151 nan 8.290 nan 0.000 0.290 195 Y N 0.889 121.121 120.300 -0.114 0.000 2.326 195 Y HA 0.401 4.951 4.550 0.000 0.000 0.329 195 Y C 0.309 176.201 175.900 -0.013 0.000 0.973 195 Y CA -0.801 57.287 58.100 -0.020 0.000 1.162 195 Y CB 1.850 40.342 38.460 0.054 0.000 1.147 195 Y HN 0.072 nan 8.280 nan 0.000 0.456 196 E N 3.512 123.806 120.200 0.157 0.000 2.261 196 E HA 0.072 4.422 4.350 0.001 0.000 0.308 196 E C 0.946 177.627 176.600 0.136 0.000 1.400 196 E CA -0.067 56.390 56.400 0.095 0.000 1.542 196 E CB 0.331 30.073 29.700 0.069 0.000 1.369 196 E HN 0.642 nan 8.360 nan 0.000 0.493 197 V N 1.433 121.417 119.914 0.117 0.000 2.265 197 V HA -0.421 3.699 4.120 0.001 0.000 0.259 197 V C 2.096 178.276 176.094 0.144 0.000 1.084 197 V CA 2.505 64.888 62.300 0.139 0.000 1.076 197 V CB -0.548 31.192 31.823 -0.139 0.000 0.680 197 V HN 0.599 nan 8.190 nan 0.000 0.452 198 D N -0.518 119.923 120.400 0.068 0.000 2.160 198 D HA -0.247 4.393 4.640 0.001 0.000 0.189 198 D C 2.122 178.469 176.300 0.077 0.000 1.003 198 D CA 2.371 56.407 54.000 0.060 0.000 0.846 198 D CB -0.134 40.684 40.800 0.030 0.000 0.949 198 D HN 0.543 nan 8.370 nan 0.000 0.446 199 K N -0.213 120.233 120.400 0.076 0.000 1.995 199 K HA 0.027 4.347 4.320 0.001 0.000 0.207 199 K C 2.474 179.123 176.600 0.081 0.000 1.041 199 K CA 1.317 57.644 56.287 0.066 0.000 0.942 199 K CB -0.494 32.035 32.500 0.047 0.000 0.731 199 K HN 0.404 nan 8.250 nan 0.000 0.439 200 I N -0.475 120.164 120.570 0.116 0.000 2.194 200 I HA -0.253 3.918 4.170 0.001 0.000 0.246 200 I C 2.315 178.508 176.117 0.127 0.000 1.093 200 I CA 1.690 63.060 61.300 0.117 0.000 1.355 200 I CB -0.692 37.445 38.000 0.229 0.000 1.046 200 I HN -0.006 nan 8.210 nan 0.000 0.413 201 A N 0.603 123.528 122.820 0.175 0.000 2.139 201 A HA -0.233 4.087 4.320 0.001 0.000 0.221 201 A C 2.253 179.901 177.584 0.106 0.000 1.159 201 A CA 1.972 54.107 52.037 0.163 0.000 0.662 201 A CB -0.696 18.420 19.000 0.193 0.000 0.796 201 A HN 0.764 nan 8.150 nan 0.000 0.463 202 Q N -1.506 118.343 119.800 0.082 0.000 2.408 202 Q HA 0.008 4.349 4.340 0.001 0.000 0.205 202 Q C 0.519 176.544 176.000 0.042 0.000 0.919 202 Q CA 0.866 56.705 55.803 0.060 0.000 0.932 202 Q CB 0.128 28.895 28.738 0.050 0.000 1.058 202 Q HN 0.786 nan 8.270 nan 0.000 0.517 203 N N -0.566 118.150 118.700 0.028 0.000 2.184 203 N HA 0.166 4.907 4.740 0.001 0.000 0.206 203 N C -0.683 174.822 175.510 -0.009 0.000 1.151 203 N CA 0.051 53.102 53.050 0.000 0.000 0.878 203 N CB 0.865 39.331 38.487 -0.034 0.000 1.014 203 N HN -0.002 nan 8.380 nan 0.000 0.512 204 L N 0.601 121.830 121.223 0.010 0.000 2.295 204 L HA 0.305 4.645 4.340 0.001 0.000 0.285 204 L C 0.465 177.334 176.870 -0.002 0.000 1.035 204 L CA -0.575 54.254 54.840 -0.018 0.000 0.806 204 L CB 1.427 43.486 42.059 -0.001 0.000 1.214 204 L HN -0.045 nan 8.230 nan 0.000 0.426 205 D N 2.215 122.585 120.400 -0.050 0.000 2.178 205 D HA -0.042 4.599 4.640 0.001 0.000 0.202 205 D C -0.204 176.196 176.300 0.167 0.000 0.974 205 D CA 1.663 55.693 54.000 0.049 0.000 0.841 205 D CB 0.134 40.971 40.800 0.062 0.000 0.953 205 D HN 0.338 nan 8.370 nan 0.000 0.478 206 F N -2.845 117.128 119.950 0.037 0.000 2.703 206 F HA 0.466 4.994 4.527 0.000 0.000 0.308 206 F C -1.535 174.267 175.800 0.003 0.000 1.126 206 F CA -1.481 56.523 58.000 0.006 0.000 0.959 206 F CB 0.981 39.960 39.000 -0.035 0.000 1.297 206 F HN -0.399 nan 8.300 nan 0.000 0.441 207 V N 2.870 122.916 119.914 0.220 0.000 2.334 207 V HA 0.339 4.459 4.120 0.001 0.000 0.281 207 V C -0.677 175.437 176.094 0.033 0.000 1.016 207 V CA -0.813 61.510 62.300 0.039 0.000 0.832 207 V CB 1.202 32.947 31.823 -0.129 0.000 0.999 207 V HN 0.713 nan 8.190 nan 0.000 0.439 208 N N 4.548 123.296 118.700 0.080 0.000 2.448 208 N HA 0.191 4.932 4.740 0.001 0.000 0.250 208 N C -0.464 174.995 175.510 -0.085 0.000 1.136 208 N CA -0.350 52.758 53.050 0.097 0.000 0.953 208 N CB 1.479 40.138 38.487 0.287 0.000 1.251 208 N HN 0.557 nan 8.380 nan 0.000 0.502 209 L N 3.247 124.363 121.223 -0.179 0.000 2.385 209 L HA 0.206 4.547 4.340 0.001 0.000 0.281 209 L C 0.333 177.076 176.870 -0.212 0.000 1.106 209 L CA 0.090 54.750 54.840 -0.300 0.000 0.856 209 L CB 0.192 42.074 42.059 -0.296 0.000 1.186 209 L HN 0.381 nan 8.230 nan 0.000 0.453 210 M N 6.375 125.767 119.600 -0.348 0.000 3.422 210 M HA 0.296 4.776 4.480 0.001 0.000 0.248 210 M C 0.765 176.467 176.300 -0.996 0.000 1.433 210 M CA -0.065 54.776 55.300 -0.765 0.000 1.592 210 M CB 0.047 32.142 32.600 -0.841 0.000 1.078 210 M HN 0.712 nan 8.290 nan 0.000 0.578 211 A N 3.132 125.678 122.820 -0.456 0.000 3.030 211 A HA 0.385 4.706 4.320 0.001 0.000 0.273 211 A C -0.660 176.925 177.584 0.002 0.000 1.841 211 A CA -0.059 51.891 52.037 -0.145 0.000 1.479 211 A CB -1.128 17.976 19.000 0.174 0.000 1.048 211 A HN 0.747 nan 8.150 nan 0.000 0.612 212 Y N -3.810 116.393 120.300 -0.162 0.000 2.764 212 Y HA 0.542 5.093 4.550 0.001 0.000 0.331 212 Y C -0.100 175.711 175.900 -0.147 0.000 1.280 212 Y CA -1.673 56.422 58.100 -0.008 0.000 1.065 212 Y CB 0.398 38.918 38.460 0.099 0.000 1.319 212 Y HN 0.247 nan 8.280 nan 0.000 0.453 213 D N -0.380 120.233 120.400 0.354 0.000 2.945 213 D HA -0.208 4.432 4.640 0.001 0.000 0.225 213 D C 0.492 176.953 176.300 0.268 0.000 1.158 213 D CA 1.140 55.352 54.000 0.353 0.000 0.805 213 D CB -1.273 39.687 40.800 0.267 0.000 1.098 213 D HN 0.589 nan 8.370 nan 0.000 0.426 214 F N 0.111 120.185 119.950 0.207 0.000 2.171 214 F HA -0.092 4.435 4.527 0.001 0.000 0.300 214 F C 1.698 177.421 175.800 -0.127 0.000 1.090 214 F CA 1.264 59.269 58.000 0.007 0.000 1.293 214 F CB 0.146 39.087 39.000 -0.099 0.000 1.013 214 F HN 0.141 nan 8.300 nan 0.000 0.486 215 H N -1.461 117.848 119.070 0.397 0.000 2.690 215 H HA 0.658 5.214 4.556 0.001 0.000 0.368 215 H C 0.155 175.313 175.328 -0.283 0.000 1.150 215 H CA -0.373 55.752 56.048 0.128 0.000 1.174 215 H CB 1.529 31.380 29.762 0.147 0.000 1.684 215 H HN 0.080 nan 8.280 nan 0.000 0.538 216 G N -0.547 107.651 108.800 -1.003 0.000 2.608 216 G HA2 0.200 4.160 3.960 0.001 0.000 0.291 216 G HA3 0.200 4.160 3.960 0.001 0.000 0.291 216 G C 0.360 174.368 174.900 -1.486 0.000 1.425 216 G CA -0.167 43.833 45.100 -1.833 0.000 0.787 216 G HN 0.480 nan 8.290 nan 0.000 0.484 217 S N -1.316 113.666 115.700 -1.196 0.000 2.626 217 S HA -0.116 4.355 4.470 0.001 0.000 0.245 217 S C 1.236 175.741 174.600 -0.158 0.000 0.973 217 S CA 1.629 59.407 58.200 -0.703 0.000 0.959 217 S CB -0.731 62.187 63.200 -0.470 0.000 0.762 217 S HN 0.972 nan 8.310 nan 0.000 0.539 218 W N 0.734 122.040 121.300 0.010 0.000 3.330 218 W HA 0.585 5.245 4.660 0.001 0.000 0.348 218 W C -0.117 176.465 176.519 0.106 0.000 1.205 218 W CA -1.036 56.344 57.345 0.058 0.000 1.841 218 W CB -0.377 29.117 29.460 0.057 0.000 1.084 218 W HN 0.132 nan 8.180 nan 0.000 0.665 219 E N 1.179 121.351 120.200 -0.048 0.000 2.222 219 E HA 0.156 4.507 4.350 0.001 0.000 0.267 219 E C 0.329 176.976 176.600 0.079 0.000 0.884 219 E CA -0.872 55.554 56.400 0.043 0.000 0.764 219 E CB 1.616 31.311 29.700 -0.008 0.000 1.169 219 E HN -0.086 nan 8.360 nan 0.000 0.413 220 K N 0.256 120.688 120.400 0.053 0.000 2.551 220 K HA 0.124 4.445 4.320 0.001 0.000 0.192 220 K C 0.198 176.772 176.600 -0.043 0.000 1.027 220 K CA 0.069 56.374 56.287 0.031 0.000 1.059 220 K CB 0.252 32.765 32.500 0.022 0.000 0.831 220 K HN 0.146 nan 8.250 nan 0.000 0.508 221 V N 0.783 120.633 119.914 -0.108 0.000 2.577 221 V HA 0.227 4.347 4.120 0.001 0.000 0.303 221 V C -0.863 174.889 176.094 -0.569 0.000 1.042 221 V CA -0.721 61.409 62.300 -0.283 0.000 0.872 221 V CB 1.816 33.498 31.823 -0.235 0.000 0.998 221 V HN 0.308 nan 8.190 nan 0.000 0.423 222 T N 5.926 119.912 114.554 -0.947 0.000 2.777 222 T HA 0.335 4.685 4.350 0.001 0.000 0.273 222 T C 0.341 174.225 174.700 -1.361 0.000 1.016 222 T CA 1.402 62.469 62.100 -1.722 0.000 1.156 222 T CB -0.208 67.559 68.868 -1.835 0.000 1.019 222 T HN 1.207 nan 8.240 nan 0.000 0.503 223 G N 2.071 110.108 108.800 -1.272 0.000 2.725 223 G HA2 0.472 4.432 3.960 0.001 0.000 0.288 223 G HA3 0.472 4.432 3.960 0.001 0.000 0.288 223 G C -1.659 173.270 174.900 0.049 0.000 1.399 223 G CA -0.609 44.148 45.100 -0.572 0.000 0.859 223 G HN 0.700 nan 8.290 nan 0.000 0.479 224 H N 0.532 119.677 119.070 0.125 0.000 2.458 224 H HA 0.271 4.827 4.556 0.001 0.000 0.330 224 H C 1.236 176.806 175.328 0.403 0.000 1.111 224 H CA -0.175 56.070 56.048 0.327 0.000 1.245 224 H CB 1.674 31.573 29.762 0.227 0.000 1.456 224 H HN 0.739 nan 8.280 nan 0.000 0.488 225 N N 2.453 121.155 118.700 0.003 0.000 2.011 225 N HA -0.213 4.528 4.740 0.001 0.000 0.199 225 N C 0.073 175.841 175.510 0.430 0.000 1.047 225 N CA 1.270 54.422 53.050 0.169 0.000 0.863 225 N CB 0.063 38.513 38.487 -0.062 0.000 1.056 225 N HN 0.320 nan 8.380 nan 0.000 0.427 226 S N 1.147 117.159 115.700 0.521 0.000 2.252 226 S HA 0.378 4.848 4.470 0.001 0.000 0.187 226 S C -2.822 171.998 174.600 0.366 0.000 1.587 226 S CA -1.543 56.978 58.200 0.534 0.000 1.215 226 S CB 1.260 64.702 63.200 0.404 0.000 1.085 226 S HN 0.188 nan 8.310 nan 0.000 0.466 227 P HA 0.162 nan 4.420 nan 0.000 0.287 227 P C 0.891 178.032 177.300 -0.266 0.000 1.281 227 P CA -0.653 62.395 63.100 -0.087 0.000 0.781 227 P CB 1.429 33.113 31.700 -0.027 0.000 0.903 228 L N 5.015 126.048 121.223 -0.317 0.000 1.994 228 L HA -0.031 4.310 4.340 0.001 0.000 0.208 228 L C 0.390 176.823 176.870 -0.729 0.000 1.071 228 L CA 1.843 56.329 54.840 -0.590 0.000 0.745 228 L CB -1.276 40.395 42.059 -0.647 0.000 0.892 228 L HN 0.348 nan 8.230 nan 0.000 0.431 229 Y N -1.188 118.992 120.300 -0.199 0.000 2.693 229 Y HA 0.381 4.932 4.550 0.001 0.000 0.331 229 Y C 0.239 176.064 175.900 -0.126 0.000 1.092 229 Y CA -1.345 56.662 58.100 -0.156 0.000 1.131 229 Y CB 0.582 38.981 38.460 -0.100 0.000 1.318 229 Y HN -0.084 nan 8.280 nan 0.000 0.510 230 K N 0.939 121.400 120.400 0.101 0.000 2.126 230 K HA 0.514 4.835 4.320 0.001 0.000 0.257 230 K C -0.818 175.801 176.600 0.031 0.000 1.007 230 K CA -0.782 55.526 56.287 0.034 0.000 0.928 230 K CB 0.963 33.476 32.500 0.021 0.000 1.013 230 K HN 0.599 nan 8.250 nan 0.000 0.473 231 R N 1.481 121.988 120.500 0.012 0.000 2.543 231 R HA -0.043 4.297 4.340 0.001 0.000 0.277 231 R C 1.546 177.842 176.300 -0.006 0.000 1.074 231 R CA 0.004 56.104 56.100 0.000 0.000 1.076 231 R CB 0.743 31.034 30.300 -0.016 0.000 0.993 231 R HN 0.868 nan 8.270 nan 0.000 0.459 232 Q N 0.882 120.675 119.800 -0.011 0.000 2.096 232 Q HA -0.214 4.126 4.340 0.001 0.000 0.208 232 Q C 0.450 176.440 176.000 -0.016 0.000 0.993 232 Q CA 2.008 57.801 55.803 -0.017 0.000 0.862 232 Q CB -0.320 28.407 28.738 -0.018 0.000 0.915 232 Q HN 0.702 nan 8.270 nan 0.000 0.416 233 E N 1.585 121.774 120.200 -0.017 0.000 2.028 233 E HA 0.295 4.645 4.350 0.001 0.000 0.275 233 E C -0.760 175.826 176.600 -0.023 0.000 1.171 233 E CA -0.057 56.331 56.400 -0.021 0.000 1.186 233 E CB 0.119 29.804 29.700 -0.024 0.000 1.256 233 E HN 0.446 nan 8.360 nan 0.000 0.474 234 E N 0.372 120.563 120.200 -0.016 0.000 2.647 234 E HA 0.420 4.770 4.350 0.001 0.000 0.320 234 E C -1.081 175.517 176.600 -0.003 0.000 0.951 234 E CA -0.160 56.233 56.400 -0.012 0.000 0.809 234 E CB 1.269 30.963 29.700 -0.010 0.000 1.295 234 E HN 0.361 nan 8.360 nan 0.000 0.407 235 S N 2.291 117.991 115.700 0.000 0.000 3.070 235 S HA 0.919 5.390 4.470 0.001 0.000 0.320 235 S C 0.352 174.956 174.600 0.006 0.000 1.215 235 S CA 0.626 58.828 58.200 0.003 0.000 0.956 235 S CB 0.850 64.048 63.200 -0.002 0.000 1.337 235 S HN 1.328 nan 8.310 nan 0.000 0.639 236 G N 1.350 110.152 108.800 0.003 0.000 2.509 236 G HA2 -0.032 3.929 3.960 0.001 0.000 0.256 236 G HA3 -0.032 3.929 3.960 0.001 0.000 0.256 236 G C 0.962 175.866 174.900 0.007 0.000 1.152 236 G CA 0.700 45.802 45.100 0.004 0.000 0.951 236 G HN 1.730 nan 8.290 nan 0.000 0.559 237 A N -0.253 122.574 122.820 0.011 0.000 2.147 237 A HA 0.673 4.994 4.320 0.001 0.000 0.211 237 A C 2.598 180.199 177.584 0.028 0.000 1.160 237 A CA 1.866 53.910 52.037 0.012 0.000 0.781 237 A CB -0.464 18.540 19.000 0.006 0.000 0.842 237 A HN 2.232 nan 8.150 nan 0.000 0.475 238 A N -0.225 122.619 122.820 0.041 0.000 2.216 238 A HA 0.339 4.659 4.320 0.001 0.000 0.214 238 A C 2.047 179.663 177.584 0.053 0.000 1.160 238 A CA 1.260 53.339 52.037 0.071 0.000 0.725 238 A CB -0.532 18.517 19.000 0.083 0.000 0.784 238 A HN 0.868 nan 8.150 nan 0.000 0.472 239 A N -1.022 121.814 122.820 0.026 0.000 2.167 239 A HA 0.108 4.428 4.320 0.001 0.000 0.214 239 A C 2.183 179.767 177.584 -0.001 0.000 1.151 239 A CA 1.424 53.468 52.037 0.012 0.000 0.735 239 A CB -0.398 18.607 19.000 0.009 0.000 0.802 239 A HN 0.477 nan 8.150 nan 0.000 0.467 240 S N -0.526 115.178 115.700 0.007 0.000 2.478 240 S HA 0.153 4.623 4.470 0.001 0.000 0.222 240 S C 0.972 175.570 174.600 -0.004 0.000 1.008 240 S CA -0.152 58.053 58.200 0.009 0.000 0.928 240 S CB -0.396 62.819 63.200 0.024 0.000 0.781 240 S HN 0.474 nan 8.310 nan 0.000 0.518 241 L N 3.530 124.744 121.223 -0.016 0.000 2.858 241 L HA 0.193 4.533 4.340 0.001 0.000 0.243 241 L C -0.271 176.210 176.870 -0.649 0.000 1.416 241 L CA -0.417 54.379 54.840 -0.073 0.000 1.182 241 L CB -1.460 40.576 42.059 -0.039 0.000 1.564 241 L HN 0.459 nan 8.230 nan 0.000 0.436 242 N N -3.543 114.600 118.700 -0.929 0.000 2.708 242 N HA 0.264 5.005 4.740 0.001 0.000 0.257 242 N C 0.338 175.309 175.510 -0.899 0.000 1.373 242 N CA -0.942 51.433 53.050 -1.125 0.000 0.843 242 N CB 1.116 39.325 38.487 -0.462 0.000 1.503 242 N HN -0.255 nan 8.380 nan 0.000 0.504 243 V N 0.018 119.541 119.914 -0.652 0.000 2.215 243 V HA -0.329 3.791 4.120 0.001 0.000 0.249 243 V C 1.888 177.848 176.094 -0.222 0.000 1.054 243 V CA 2.564 64.708 62.300 -0.259 0.000 1.012 243 V CB -0.805 30.811 31.823 -0.345 0.000 0.639 243 V HN 0.944 nan 8.190 nan 0.000 0.448 244 D N -0.084 120.063 120.400 -0.422 0.000 2.204 244 D HA -0.263 4.377 4.640 0.001 0.000 0.189 244 D C 2.141 178.460 176.300 0.032 0.000 1.006 244 D CA 2.353 56.232 54.000 -0.201 0.000 0.855 244 D CB -0.350 40.365 40.800 -0.141 0.000 0.946 244 D HN 0.415 nan 8.370 nan 0.000 0.448 245 A N 0.854 123.666 122.820 -0.014 0.000 1.873 245 A HA -0.127 4.194 4.320 0.001 0.000 0.218 245 A C 2.511 180.152 177.584 0.095 0.000 1.193 245 A CA 3.430 55.489 52.037 0.036 0.000 0.629 245 A CB -1.277 17.718 19.000 -0.008 0.000 0.826 245 A HN 0.398 nan 8.150 nan 0.000 0.447 246 A N -0.792 122.107 122.820 0.133 0.000 1.883 246 A HA -0.063 4.258 4.320 0.001 0.000 0.217 246 A C 2.277 180.035 177.584 0.290 0.000 1.186 246 A CA 2.094 54.288 52.037 0.262 0.000 0.624 246 A CB -1.128 18.110 19.000 0.396 0.000 0.822 246 A HN 0.492 nan 8.150 nan 0.000 0.444 247 V N -0.090 119.963 119.914 0.232 0.000 2.295 247 V HA -0.321 3.799 4.120 0.001 0.000 0.246 247 V C 2.640 178.879 176.094 0.242 0.000 1.049 247 V CA 2.274 64.730 62.300 0.259 0.000 1.024 247 V CB -0.925 31.087 31.823 0.314 0.000 0.648 247 V HN 0.635 nan 8.190 nan 0.000 0.447 248 Q N -0.658 119.263 119.800 0.201 0.000 2.226 248 Q HA -0.260 4.080 4.340 0.001 0.000 0.204 248 Q C 2.319 178.386 176.000 0.113 0.000 0.975 248 Q CA 1.595 57.487 55.803 0.149 0.000 0.866 248 Q CB -0.116 28.699 28.738 0.128 0.000 0.915 248 Q HN 0.723 nan 8.270 nan 0.000 0.440 249 Q N 0.018 119.884 119.800 0.110 0.000 1.967 249 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 249 Q C 1.591 177.580 176.000 -0.019 0.000 0.985 249 Q CA 1.542 57.355 55.803 0.017 0.000 0.839 249 Q CB -0.190 28.540 28.738 -0.014 0.000 0.906 249 Q HN 0.407 nan 8.270 nan 0.000 0.423 250 W N 0.849 122.166 121.300 0.028 0.000 2.325 250 W HA -0.181 4.479 4.660 0.001 0.000 0.299 250 W C 2.107 178.645 176.519 0.032 0.000 1.215 250 W CA 0.992 58.351 57.345 0.023 0.000 1.244 250 W CB -0.217 29.254 29.460 0.019 0.000 1.140 250 W HN 0.257 nan 8.180 nan 0.000 0.523 251 L N -0.651 120.711 121.223 0.233 0.000 2.056 251 L HA -0.233 4.108 4.340 0.001 0.000 0.207 251 L C 2.799 179.722 176.870 0.088 0.000 1.078 251 L CA 1.120 56.052 54.840 0.152 0.000 0.749 251 L CB -0.953 41.179 42.059 0.121 0.000 0.901 251 L HN -0.016 nan 8.230 nan 0.000 0.433 252 Q N 0.726 120.559 119.800 0.054 0.000 2.046 252 Q HA -0.191 4.150 4.340 0.001 0.000 0.200 252 Q C 2.071 178.066 176.000 -0.008 0.000 0.975 252 Q CA 1.433 57.246 55.803 0.017 0.000 0.836 252 Q CB -0.003 28.736 28.738 0.001 0.000 0.896 252 Q HN 0.416 nan 8.270 nan 0.000 0.428 253 K N -0.734 119.634 120.400 -0.054 0.000 2.362 253 K HA -0.120 4.201 4.320 0.001 0.000 0.202 253 K C 0.880 177.465 176.600 -0.026 0.000 1.045 253 K CA 1.059 57.287 56.287 -0.099 0.000 0.936 253 K CB -0.118 32.221 32.500 -0.269 0.000 0.747 253 K HN 0.422 nan 8.250 nan 0.000 0.467 254 G N 1.337 110.158 108.800 0.034 0.000 2.338 254 G HA2 -0.140 3.821 3.960 0.001 0.000 0.115 254 G HA3 -0.140 3.821 3.960 0.001 0.000 0.115 254 G C -0.389 174.583 174.900 0.120 0.000 1.053 254 G CA -0.454 44.685 45.100 0.065 0.000 0.733 254 G HN 0.108 nan 8.290 nan 0.000 0.482 255 T N 3.121 117.772 114.554 0.162 0.000 2.809 255 T HA 0.568 4.919 4.350 0.001 0.000 0.296 255 T C -2.100 172.684 174.700 0.140 0.000 1.015 255 T CA -1.010 61.209 62.100 0.199 0.000 0.954 255 T CB 2.484 71.547 68.868 0.325 0.000 0.950 255 T HN 0.251 nan 8.240 nan 0.000 0.450 256 P HA 0.128 nan 4.420 nan 0.000 0.264 256 P C 0.762 178.112 177.300 0.082 0.000 1.193 256 P CA -0.132 63.017 63.100 0.083 0.000 0.763 256 P CB 0.747 32.490 31.700 0.073 0.000 0.810 257 A N 4.092 126.951 122.820 0.065 0.000 1.986 257 A HA -0.218 4.103 4.320 0.001 0.000 0.220 257 A C 2.259 179.868 177.584 0.040 0.000 1.171 257 A CA 2.257 54.325 52.037 0.053 0.000 0.640 257 A CB -1.539 17.480 19.000 0.030 0.000 0.811 257 A HN 0.662 nan 8.150 nan 0.000 0.451 258 S N -0.165 115.559 115.700 0.039 0.000 2.419 258 S HA -0.157 4.313 4.470 0.001 0.000 0.235 258 S C 1.516 176.142 174.600 0.043 0.000 1.019 258 S CA 1.552 59.771 58.200 0.031 0.000 0.982 258 S CB -0.314 62.907 63.200 0.035 0.000 0.789 258 S HN 0.642 nan 8.310 nan 0.000 0.490 259 K N 0.287 120.730 120.400 0.072 0.000 2.417 259 K HA 0.306 4.626 4.320 0.001 0.000 0.196 259 K C -0.468 176.192 176.600 0.100 0.000 1.023 259 K CA -0.216 56.138 56.287 0.111 0.000 1.122 259 K CB 0.076 32.651 32.500 0.126 0.000 0.850 259 K HN 0.286 nan 8.250 nan 0.000 0.521 260 L N 2.131 123.388 121.223 0.057 0.000 2.265 260 L HA 0.317 4.658 4.340 0.001 0.000 0.289 260 L C -0.922 175.951 176.870 0.004 0.000 1.033 260 L CA -0.586 54.269 54.840 0.026 0.000 0.814 260 L CB 0.727 42.812 42.059 0.043 0.000 1.203 260 L HN -0.078 nan 8.230 nan 0.000 0.423 261 I N 6.249 126.817 120.570 -0.003 0.000 2.330 261 I HA 0.197 4.367 4.170 0.001 0.000 0.289 261 I C -0.210 175.910 176.117 0.005 0.000 1.001 261 I CA -0.862 60.429 61.300 -0.015 0.000 1.193 261 I CB 1.190 39.177 38.000 -0.022 0.000 1.345 261 I HN 0.484 nan 8.210 nan 0.000 0.461 262 L N 6.881 128.114 121.223 0.016 0.000 2.433 262 L HA 0.420 4.760 4.340 0.001 0.000 0.284 262 L C 0.846 177.754 176.870 0.062 0.000 1.120 262 L CA 0.237 55.099 54.840 0.038 0.000 0.879 262 L CB 0.081 42.172 42.059 0.053 0.000 1.232 262 L HN 0.711 nan 8.230 nan 0.000 0.454 263 G N 5.961 114.824 108.800 0.106 0.000 2.442 263 G HA2 0.455 4.416 3.960 0.001 0.000 0.249 263 G HA3 0.455 4.416 3.960 0.001 0.000 0.249 263 G C -0.502 174.572 174.900 0.290 0.000 1.263 263 G CA -0.558 44.693 45.100 0.251 0.000 0.846 263 G HN 0.610 nan 8.290 nan 0.000 0.555 264 M N 3.240 123.024 119.600 0.307 0.000 2.386 264 M HA 0.327 4.808 4.480 0.001 0.000 0.293 264 M C -2.633 173.840 176.300 0.289 0.000 1.120 264 M CA -1.871 53.543 55.300 0.189 0.000 0.909 264 M CB 3.381 35.810 32.600 -0.283 0.000 1.661 264 M HN 0.292 nan 8.290 nan 0.000 0.452 265 P HA 0.207 nan 4.420 nan 0.000 0.290 265 P C -0.042 177.427 177.300 0.281 0.000 1.276 265 P CA -0.218 62.940 63.100 0.096 0.000 0.808 265 P CB 0.992 32.466 31.700 -0.376 0.000 0.966 266 T N -0.145 114.608 114.554 0.332 0.000 3.214 266 T HA 0.283 4.634 4.350 0.001 0.000 0.264 266 T C 0.203 175.061 174.700 0.264 0.000 1.012 266 T CA -0.255 61.981 62.100 0.226 0.000 0.901 266 T CB -0.984 67.992 68.868 0.180 0.000 1.070 266 T HN 0.462 nan 8.240 nan 0.000 0.561 267 Y N -1.481 118.904 120.300 0.142 0.000 2.669 267 Y HA 0.903 5.454 4.550 0.001 0.000 0.335 267 Y C -0.049 175.932 175.900 0.134 0.000 1.116 267 Y CA -1.998 56.161 58.100 0.099 0.000 1.081 267 Y CB 0.943 39.456 38.460 0.089 0.000 1.297 267 Y HN 0.120 nan 8.280 nan 0.000 0.484 268 G N 0.538 109.356 108.800 0.030 0.000 2.818 268 G HA2 0.681 4.641 3.960 0.001 0.000 0.286 268 G HA3 0.681 4.641 3.960 0.001 0.000 0.286 268 G C -1.549 173.410 174.900 0.098 0.000 1.364 268 G CA -1.504 43.585 45.100 -0.018 0.000 0.938 268 G HN 0.502 nan 8.290 nan 0.000 0.490 269 R N 0.098 120.645 120.500 0.079 0.000 2.494 269 R HA 0.612 4.952 4.340 0.001 0.000 0.305 269 R C -0.379 176.018 176.300 0.160 0.000 0.959 269 R CA -0.537 55.628 56.100 0.108 0.000 0.864 269 R CB 1.587 31.937 30.300 0.083 0.000 1.159 269 R HN 0.734 nan 8.270 nan 0.000 0.446 270 S N 1.876 117.620 115.700 0.073 0.000 2.532 270 S HA 0.797 5.268 4.470 0.001 0.000 0.301 270 S C -0.652 173.988 174.600 0.066 0.000 1.083 270 S CA -0.650 57.682 58.200 0.219 0.000 1.025 270 S CB 1.317 64.639 63.200 0.203 0.000 1.056 270 S HN 0.321 nan 8.310 nan 0.000 0.494 271 F N -0.098 119.995 119.950 0.238 0.000 2.576 271 F HA 0.490 5.018 4.527 0.001 0.000 0.313 271 F C 0.342 176.247 175.800 0.174 0.000 1.078 271 F CA -0.812 57.273 58.000 0.143 0.000 0.921 271 F CB 2.226 41.251 39.000 0.041 0.000 1.232 271 F HN 0.503 nan 8.300 nan 0.000 0.459 272 T N 4.325 119.053 114.554 0.291 0.000 2.747 272 T HA 0.431 4.781 4.350 0.001 0.000 0.301 272 T C 0.251 175.046 174.700 0.160 0.000 0.952 272 T CA -0.435 61.789 62.100 0.207 0.000 0.983 272 T CB -0.172 68.778 68.868 0.136 0.000 0.930 272 T HN 0.291 nan 8.240 nan 0.000 0.494 273 L N 2.235 123.545 121.223 0.145 0.000 2.499 273 L HA 0.122 4.462 4.340 0.001 0.000 0.281 273 L C 1.955 178.836 176.870 0.019 0.000 1.234 273 L CA -0.465 54.400 54.840 0.042 0.000 0.839 273 L CB 0.188 42.262 42.059 0.025 0.000 1.104 273 L HN 0.701 nan 8.230 nan 0.000 0.500 274 A N 1.989 124.794 122.820 -0.025 0.000 1.883 274 A HA -0.097 4.224 4.320 0.001 0.000 0.217 274 A C 1.110 178.687 177.584 -0.011 0.000 1.186 274 A CA 1.817 53.842 52.037 -0.020 0.000 0.624 274 A CB -0.083 18.890 19.000 -0.045 0.000 0.822 274 A HN 0.617 nan 8.150 nan 0.000 0.444 275 S N -2.386 113.301 115.700 -0.022 0.000 2.543 275 S HA 0.365 4.836 4.470 0.001 0.000 0.271 275 S C 0.554 175.145 174.600 -0.014 0.000 1.148 275 S CA 0.178 58.372 58.200 -0.011 0.000 0.914 275 S CB 1.444 64.634 63.200 -0.017 0.000 1.096 275 S HN 0.820 nan 8.310 nan 0.000 0.471 276 S N 2.548 118.254 115.700 0.010 0.000 2.641 276 S HA -0.037 4.433 4.470 0.001 0.000 0.239 276 S C 1.574 176.170 174.600 -0.007 0.000 0.972 276 S CA 1.181 59.392 58.200 0.019 0.000 0.954 276 S CB -0.196 63.039 63.200 0.058 0.000 0.767 276 S HN 0.600 nan 8.310 nan 0.000 0.539 277 S N 0.963 116.651 115.700 -0.020 0.000 2.406 277 S HA 0.054 4.525 4.470 0.001 0.000 0.224 277 S C 0.166 174.735 174.600 -0.052 0.000 1.030 277 S CA 0.327 58.514 58.200 -0.022 0.000 0.958 277 S CB -0.239 62.952 63.200 -0.016 0.000 0.811 277 S HN 0.627 nan 8.310 nan 0.000 0.489 278 D N 0.592 120.943 120.400 -0.081 0.000 2.440 278 D HA 0.383 5.023 4.640 0.001 0.000 0.239 278 D C 0.060 176.254 176.300 -0.177 0.000 1.084 278 D CA -0.210 53.723 54.000 -0.112 0.000 0.843 278 D CB 1.692 42.429 40.800 -0.106 0.000 1.097 278 D HN 0.200 nan 8.370 nan 0.000 0.531 279 T N 0.426 114.859 114.554 -0.201 0.000 3.296 279 T HA 0.324 4.674 4.350 0.001 0.000 0.285 279 T C 0.656 175.282 174.700 -0.125 0.000 1.014 279 T CA -0.625 61.331 62.100 -0.240 0.000 0.920 279 T CB -0.179 68.356 68.868 -0.554 0.000 1.143 279 T HN 0.156 nan 8.240 nan 0.000 0.522 280 R N 1.173 121.573 120.500 -0.167 0.000 2.484 280 R HA 0.313 4.653 4.340 0.001 0.000 0.293 280 R C -0.094 176.024 176.300 -0.304 0.000 1.023 280 R CA -0.361 55.659 56.100 -0.133 0.000 1.037 280 R CB 0.469 30.691 30.300 -0.130 0.000 0.951 280 R HN 0.174 nan 8.270 nan 0.000 0.418 281 V N 3.806 123.589 119.914 -0.217 0.000 2.479 281 V HA 0.042 4.162 4.120 0.001 0.000 0.284 281 V C 1.274 177.107 176.094 -0.435 0.000 0.981 281 V CA 1.778 63.843 62.300 -0.392 0.000 1.139 281 V CB 0.199 31.931 31.823 -0.151 0.000 0.947 281 V HN 1.126 nan 8.190 nan 0.000 0.468 282 G N 3.639 112.049 108.800 -0.649 0.000 2.237 282 G HA2 0.118 4.079 3.960 0.001 0.000 0.153 282 G HA3 0.118 4.079 3.960 0.001 0.000 0.153 282 G C 0.018 174.659 174.900 -0.432 0.000 1.039 282 G CA -0.111 44.691 45.100 -0.498 0.000 0.719 282 G HN 1.339 nan 8.290 nan 0.000 0.491 283 A N -0.181 122.308 122.820 -0.552 0.000 2.269 283 A HA 0.926 5.246 4.320 0.001 0.000 0.319 283 A C -2.343 175.018 177.584 -0.373 0.000 1.110 283 A CA -1.692 50.099 52.037 -0.410 0.000 0.847 283 A CB 0.923 19.667 19.000 -0.427 0.000 1.161 283 A HN 0.096 nan 8.150 nan 0.000 0.497 284 P HA 0.316 nan 4.420 nan 0.000 0.266 284 P C -0.784 176.419 177.300 -0.161 0.000 1.215 284 P CA 0.611 63.607 63.100 -0.173 0.000 0.763 284 P CB 0.883 32.515 31.700 -0.113 0.000 0.806 285 A N 2.854 125.601 122.820 -0.122 0.000 2.342 285 A HA 0.445 4.765 4.320 0.001 0.000 0.323 285 A C 1.279 178.883 177.584 0.033 0.000 1.125 285 A CA -0.213 51.807 52.037 -0.027 0.000 0.785 285 A CB 0.891 19.927 19.000 0.059 0.000 1.221 285 A HN 0.433 nan 8.150 nan 0.000 0.463 286 T N 1.004 115.589 114.554 0.052 0.000 3.043 286 T HA 0.417 4.767 4.350 0.001 0.000 0.263 286 T C 0.869 175.610 174.700 0.068 0.000 1.094 286 T CA 1.905 64.035 62.100 0.050 0.000 1.127 286 T CB -0.269 68.625 68.868 0.044 0.000 0.905 286 T HN 1.836 nan 8.240 nan 0.000 0.490 287 G N 0.308 109.166 108.800 0.096 0.000 2.356 287 G HA2 0.379 4.339 3.960 0.001 0.000 0.281 287 G HA3 0.379 4.339 3.960 0.001 0.000 0.281 287 G C -0.866 174.071 174.900 0.061 0.000 1.246 287 G CA -0.112 45.035 45.100 0.079 0.000 0.889 287 G HN 0.537 nan 8.290 nan 0.000 0.486 288 S N -0.358 115.347 115.700 0.009 0.000 2.576 288 S HA 0.576 5.047 4.470 0.001 0.000 0.276 288 S C 0.962 175.586 174.600 0.041 0.000 1.339 288 S CA 0.407 58.578 58.200 -0.048 0.000 1.039 288 S CB 1.085 64.269 63.200 -0.027 0.000 0.902 288 S HN 1.887 nan 8.310 nan 0.000 0.516 289 G N 1.666 110.502 108.800 0.060 0.000 2.614 289 G HA2 0.397 4.357 3.960 0.001 0.000 0.239 289 G HA3 0.397 4.357 3.960 0.001 0.000 0.239 289 G C 0.443 175.417 174.900 0.124 0.000 1.240 289 G CA -0.157 45.036 45.100 0.155 0.000 0.842 289 G HN 1.151 nan 8.290 nan 0.000 0.584 290 T N 0.138 114.773 114.554 0.135 0.000 2.926 290 T HA 0.369 4.719 4.350 0.001 0.000 0.307 290 T C -1.860 172.906 174.700 0.111 0.000 1.059 290 T CA -1.063 61.097 62.100 0.100 0.000 1.122 290 T CB 1.280 70.194 68.868 0.077 0.000 0.972 290 T HN 0.450 nan 8.240 nan 0.000 0.545 291 P HA 0.256 nan 4.420 nan 0.000 0.271 291 P C 0.532 177.888 177.300 0.093 0.000 1.218 291 P CA -0.230 62.923 63.100 0.089 0.000 0.780 291 P CB 0.346 32.090 31.700 0.074 0.000 0.901 292 G N 2.391 111.255 108.800 0.106 0.000 2.539 292 G HA2 0.259 4.220 3.960 0.001 0.000 0.258 292 G HA3 0.259 4.220 3.960 0.001 0.000 0.258 292 G C -1.689 173.249 174.900 0.064 0.000 1.202 292 G CA -1.180 43.986 45.100 0.109 0.000 0.851 292 G HN 0.297 nan 8.290 nan 0.000 0.556 293 P HA -0.042 nan 4.420 nan 0.000 0.218 293 P C 1.035 178.184 177.300 -0.252 0.000 1.149 293 P CA 1.180 64.162 63.100 -0.197 0.000 0.817 293 P CB 0.110 31.587 31.700 -0.372 0.000 0.785 294 F N -1.140 118.922 119.950 0.186 0.000 2.315 294 F HA -0.017 4.510 4.527 0.001 0.000 0.284 294 F C 2.463 178.394 175.800 0.218 0.000 1.049 294 F CA 1.286 59.428 58.000 0.236 0.000 1.323 294 F CB -1.230 38.017 39.000 0.412 0.000 1.113 294 F HN -0.161 nan 8.300 nan 0.000 0.544 295 T N -2.107 112.669 114.554 0.370 0.000 2.951 295 T HA -0.080 4.270 4.350 0.001 0.000 0.268 295 T C 0.848 175.672 174.700 0.206 0.000 1.073 295 T CA 0.465 62.725 62.100 0.267 0.000 1.134 295 T CB -0.523 68.451 68.868 0.177 0.000 0.884 295 T HN 0.182 nan 8.240 nan 0.000 0.479 296 K N 1.381 121.880 120.400 0.164 0.000 3.156 296 K HA -0.184 4.137 4.320 0.001 0.000 0.266 296 K C -0.282 176.384 176.600 0.109 0.000 0.966 296 K CA 0.754 57.113 56.287 0.121 0.000 0.719 296 K CB -1.490 31.081 32.500 0.118 0.000 1.333 296 K HN 0.761 nan 8.250 nan 0.000 0.468 297 E N 0.126 120.391 120.200 0.107 0.000 2.302 297 E HA 0.281 4.632 4.350 0.001 0.000 0.263 297 E C 0.154 176.806 176.600 0.086 0.000 0.897 297 E CA -0.389 56.067 56.400 0.094 0.000 0.809 297 E CB 1.270 31.030 29.700 0.100 0.000 1.270 297 E HN 0.334 nan 8.360 nan 0.000 0.410 298 G N 1.737 110.582 108.800 0.075 0.000 2.464 298 G HA2 0.264 4.225 3.960 0.001 0.000 0.231 298 G HA3 0.264 4.225 3.960 0.001 0.000 0.231 298 G C 1.026 175.960 174.900 0.057 0.000 1.267 298 G CA 0.469 45.610 45.100 0.068 0.000 0.863 298 G HN 1.015 nan 8.290 nan 0.000 0.559 299 G N 0.510 109.329 108.800 0.032 0.000 2.196 299 G HA2 -0.244 3.717 3.960 0.001 0.000 0.268 299 G HA3 -0.244 3.717 3.960 0.001 0.000 0.268 299 G C 0.331 175.254 174.900 0.038 0.000 0.975 299 G CA 0.945 46.026 45.100 -0.031 0.000 0.648 299 G HN 1.061 nan 8.290 nan 0.000 0.538 300 M N 0.155 119.809 119.600 0.090 0.000 2.326 300 M HA 0.735 5.216 4.480 0.001 0.000 0.292 300 M C -1.625 174.748 176.300 0.121 0.000 1.081 300 M CA -0.660 54.725 55.300 0.141 0.000 0.919 300 M CB 1.769 34.444 32.600 0.124 0.000 1.634 300 M HN 0.103 nan 8.290 nan 0.000 0.451 301 L N 3.216 124.515 121.223 0.127 0.000 2.431 301 L HA 0.752 5.093 4.340 0.001 0.000 0.266 301 L C -0.196 176.676 176.870 0.003 0.000 0.978 301 L CA -0.808 54.046 54.840 0.023 0.000 0.822 301 L CB 2.205 44.220 42.059 -0.073 0.000 1.310 301 L HN 0.870 nan 8.230 nan 0.000 0.409 302 A N 1.138 123.867 122.820 -0.153 0.000 2.322 302 A HA 0.228 4.548 4.320 0.001 0.000 0.269 302 A C 0.356 177.747 177.584 -0.322 0.000 1.094 302 A CA -0.054 51.833 52.037 -0.250 0.000 0.807 302 A CB 0.279 18.862 19.000 -0.695 0.000 1.047 302 A HN 0.782 nan 8.150 nan 0.000 0.487 303 Y N 1.929 122.079 120.300 -0.249 0.000 2.081 303 Y HA -0.384 4.166 4.550 0.001 0.000 0.280 303 Y C 2.075 177.803 175.900 -0.288 0.000 1.163 303 Y CA 3.205 61.154 58.100 -0.251 0.000 1.135 303 Y CB -0.754 37.627 38.460 -0.132 0.000 0.970 303 Y HN 0.854 nan 8.280 nan 0.000 0.498 304 Y N -0.480 119.743 120.300 -0.128 0.000 2.465 304 Y HA -0.110 4.440 4.550 0.001 0.000 0.289 304 Y C 1.671 177.437 175.900 -0.223 0.000 1.150 304 Y CA 1.296 59.221 58.100 -0.293 0.000 1.293 304 Y CB -1.096 37.128 38.460 -0.393 0.000 0.977 304 Y HN 0.283 nan 8.280 nan 0.000 0.556 305 E N 0.116 120.103 120.200 -0.355 0.000 2.216 305 E HA -0.017 4.333 4.350 0.001 0.000 0.192 305 E C 2.211 178.666 176.600 -0.241 0.000 0.973 305 E CA 0.704 57.035 56.400 -0.116 0.000 0.851 305 E CB -0.014 29.622 29.700 -0.108 0.000 0.804 305 E HN 0.343 nan 8.360 nan 0.000 0.477 306 V N 1.845 121.413 119.914 -0.578 0.000 2.255 306 V HA -0.307 3.813 4.120 0.001 0.000 0.247 306 V C 2.596 178.172 176.094 -0.863 0.000 1.051 306 V CA 2.009 63.717 62.300 -0.986 0.000 1.018 306 V CB -0.616 30.386 31.823 -1.369 0.000 0.641 306 V HN 0.622 nan 8.190 nan 0.000 0.445 307 C N -0.890 117.943 119.300 -0.779 0.000 2.485 307 C HA 0.050 4.511 4.460 0.001 0.000 0.283 307 C C 2.677 177.536 174.990 -0.218 0.000 1.478 307 C CA 0.428 59.136 59.018 -0.517 0.000 1.741 307 C CB -1.721 25.667 27.740 -0.587 0.000 1.675 307 C HN 0.496 nan 8.230 nan 0.000 0.573 308 S N -1.286 114.353 115.700 -0.101 0.000 2.575 308 S HA 0.150 4.620 4.470 0.001 0.000 0.215 308 S C 0.101 174.830 174.600 0.215 0.000 0.966 308 S CA -0.430 57.817 58.200 0.077 0.000 0.911 308 S CB -0.359 62.929 63.200 0.146 0.000 0.780 308 S HN 0.747 nan 8.310 nan 0.000 0.514 309 W N 3.505 124.721 121.300 -0.140 0.000 2.546 309 W HA 0.460 5.120 4.660 0.001 0.000 0.323 309 W C 0.586 177.050 176.519 -0.091 0.000 1.272 309 W CA -1.221 56.059 57.345 -0.109 0.000 1.404 309 W CB -0.600 28.779 29.460 -0.134 0.000 1.411 309 W HN 0.147 nan 8.180 nan 0.000 0.480 310 K N 1.695 122.134 120.400 0.064 0.000 2.270 310 K HA 0.558 4.878 4.320 0.001 0.000 0.276 310 K C 1.128 177.730 176.600 0.003 0.000 1.023 310 K CA -0.046 56.252 56.287 0.019 0.000 0.955 310 K CB 0.360 nan 32.500 nan 0.000 0.975 310 K HN 1.249 nan 8.250 nan 0.000 0.471 311 G N -0.198 108.602 108.800 0.001 0.000 2.258 311 G HA2 0.068 4.029 3.960 0.001 0.000 0.274 311 G HA3 0.068 4.029 3.960 0.001 0.000 0.274 311 G C 0.692 175.588 174.900 -0.005 0.000 1.021 311 G CA 1.175 46.269 45.100 -0.011 0.000 0.798 311 G HN 1.914 nan 8.290 nan 0.000 0.507 312 A N -1.099 121.742 122.820 0.034 0.000 2.256 312 A HA 0.774 5.094 4.320 0.001 0.000 0.276 312 A C 0.833 178.348 177.584 -0.114 0.000 1.259 312 A CA 1.027 53.102 52.037 0.063 0.000 0.813 312 A CB 0.570 19.695 19.000 0.208 0.000 1.200 312 A HN 0.920 nan 8.150 nan 0.000 0.506 313 T N 0.799 115.174 114.554 -0.298 0.000 3.198 313 T HA 0.268 4.618 4.350 0.001 0.000 0.352 313 T C -0.337 174.035 174.700 -0.547 0.000 1.197 313 T CA -0.446 61.346 62.100 -0.514 0.000 1.427 313 T CB 0.181 68.469 68.868 -0.966 0.000 0.983 313 T HN 0.649 nan 8.240 nan 0.000 0.560 314 K N 2.105 122.319 120.400 -0.310 0.000 2.414 314 K HA 0.360 4.680 4.320 0.001 0.000 0.272 314 K C -0.072 176.308 176.600 -0.367 0.000 0.993 314 K CA 0.058 56.174 56.287 -0.286 0.000 0.964 314 K CB 0.553 32.966 32.500 -0.146 0.000 0.925 314 K HN 0.431 nan 8.250 nan 0.000 0.487 315 Q N 1.494 120.987 119.800 -0.512 0.000 2.575 315 Q HA 0.397 4.737 4.340 0.001 0.000 0.290 315 Q C -1.734 173.966 176.000 -0.500 0.000 0.963 315 Q CA -0.705 54.782 55.803 -0.527 0.000 0.783 315 Q CB 1.512 29.812 28.738 -0.731 0.000 1.467 315 Q HN 0.591 nan 8.270 nan 0.000 0.402 316 R N 1.192 121.542 120.500 -0.250 0.000 2.807 316 R HA 0.631 4.971 4.340 0.001 0.000 0.276 316 R C -0.626 175.707 176.300 0.056 0.000 0.979 316 R CA -0.861 55.178 56.100 -0.102 0.000 0.928 316 R CB 1.605 31.857 30.300 -0.079 0.000 1.191 316 R HN 0.596 nan 8.270 nan 0.000 0.471 317 I N 3.732 124.361 120.570 0.097 0.000 2.313 317 I HA 0.036 4.206 4.170 0.001 0.000 0.286 317 I C 1.136 177.282 176.117 0.048 0.000 1.091 317 I CA -0.442 60.931 61.300 0.122 0.000 1.216 317 I CB 1.302 39.370 38.000 0.112 0.000 1.434 317 I HN 0.440 nan 8.210 nan 0.000 0.487 318 Q N 3.132 122.959 119.800 0.046 0.000 2.065 318 Q HA -0.262 4.078 4.340 0.001 0.000 0.213 318 Q C 1.333 177.350 176.000 0.028 0.000 1.012 318 Q CA 2.100 57.920 55.803 0.028 0.000 0.876 318 Q CB -0.266 28.486 28.738 0.023 0.000 0.954 318 Q HN 0.617 nan 8.270 nan 0.000 0.413 319 D N 0.861 121.277 120.400 0.026 0.000 2.126 319 D HA -0.181 4.459 4.640 0.001 0.000 0.190 319 D C 1.002 177.345 176.300 0.071 0.000 1.001 319 D CA 1.661 55.676 54.000 0.026 0.000 0.841 319 D CB -0.287 40.523 40.800 0.017 0.000 0.949 319 D HN 0.576 nan 8.370 nan 0.000 0.446 320 Q N 0.628 120.457 119.800 0.049 0.000 2.553 320 Q HA 0.215 4.555 4.340 0.001 0.000 0.395 320 Q C -0.529 175.446 176.000 -0.042 0.000 0.971 320 Q CA -0.561 55.261 55.803 0.032 0.000 1.090 320 Q CB 0.584 29.299 28.738 -0.038 0.000 1.328 320 Q HN -0.136 nan 8.270 nan 0.000 0.413 321 K N 0.715 121.128 120.400 0.022 0.000 3.976 321 K HA -0.173 4.147 4.320 0.001 0.000 0.271 321 K C -0.150 176.394 176.600 -0.094 0.000 0.761 321 K CA 0.827 57.106 56.287 -0.013 0.000 0.565 321 K CB -1.898 30.622 32.500 0.034 0.000 1.890 321 K HN 0.541 nan 8.250 nan 0.000 0.427 322 V N -3.190 116.629 119.914 -0.159 0.000 2.808 322 V HA 0.579 4.699 4.120 0.001 0.000 0.308 322 V C -2.285 173.700 176.094 -0.182 0.000 1.099 322 V CA -2.211 59.935 62.300 -0.257 0.000 0.920 322 V CB 2.832 34.255 31.823 -0.666 0.000 1.014 322 V HN -0.057 nan 8.190 nan 0.000 0.425 323 P HA 0.459 nan 4.420 nan 0.000 0.302 323 P C -1.404 175.788 177.300 -0.180 0.000 1.301 323 P CA 0.097 63.021 63.100 -0.293 0.000 0.745 323 P CB 0.470 31.865 31.700 -0.509 0.000 1.331 324 Y N -2.759 117.272 120.300 -0.450 0.000 2.258 324 Y HA 0.386 4.936 4.550 0.001 0.000 0.325 324 Y C -1.135 174.607 175.900 -0.262 0.000 1.416 324 Y CA -1.368 56.483 58.100 -0.415 0.000 1.474 324 Y CB -1.214 36.881 38.460 -0.609 0.000 1.265 324 Y HN 0.457 nan 8.280 nan 0.000 0.441 325 I N 1.743 122.295 120.570 -0.030 0.000 3.205 325 I HA 1.017 5.187 4.170 0.001 0.000 0.310 325 I C -0.903 175.219 176.117 0.009 0.000 1.089 325 I CA -1.423 59.779 61.300 -0.162 0.000 1.023 325 I CB 2.229 40.138 38.000 -0.152 0.000 1.269 325 I HN 0.877 nan 8.210 nan 0.000 0.512 326 F N -0.428 119.614 119.950 0.154 0.000 2.725 326 F HA 0.670 5.197 4.527 0.001 0.000 0.311 326 F C -1.194 174.833 175.800 0.377 0.000 1.121 326 F CA -1.104 57.109 58.000 0.355 0.000 0.978 326 F CB 1.159 40.338 39.000 0.298 0.000 1.274 326 F HN 0.739 nan 8.300 nan 0.000 0.440 327 R N 3.246 124.120 120.500 0.623 0.000 2.531 327 R HA 0.399 4.739 4.340 0.001 0.000 0.293 327 R C -0.751 175.676 176.300 0.211 0.000 1.124 327 R CA -0.029 56.242 56.100 0.284 0.000 0.945 327 R CB 0.900 31.185 30.300 -0.026 0.000 1.195 327 R HN 0.972 nan 8.270 nan 0.000 0.433 328 D N 1.987 122.528 120.400 0.235 0.000 4.486 328 D HA -0.285 4.355 4.640 0.001 0.000 0.134 328 D C 0.144 176.543 176.300 0.165 0.000 0.739 328 D CA 1.769 55.856 54.000 0.146 0.000 1.119 328 D CB -0.771 40.065 40.800 0.059 0.000 0.594 328 D HN 0.760 nan 8.370 nan 0.000 0.569 329 N N 1.621 120.403 118.700 0.136 0.000 2.203 329 N HA -0.020 4.720 4.740 0.001 0.000 0.207 329 N C -0.326 175.322 175.510 0.230 0.000 1.130 329 N CA 0.272 53.410 53.050 0.147 0.000 0.861 329 N CB 0.459 39.003 38.487 0.095 0.000 1.005 329 N HN 0.252 nan 8.380 nan 0.000 0.507 330 Q N 0.507 120.491 119.800 0.306 0.000 2.290 330 Q HA 0.232 4.572 4.340 0.001 0.000 0.259 330 Q C -1.493 174.907 176.000 0.667 0.000 0.941 330 Q CA -0.183 55.895 55.803 0.458 0.000 0.912 330 Q CB 1.689 30.689 28.738 0.436 0.000 1.244 330 Q HN 0.419 nan 8.270 nan 0.000 0.441 331 W N 3.907 125.452 121.300 0.409 0.000 2.521 331 W HA 0.482 5.142 4.660 0.001 0.000 0.310 331 W C -1.371 175.352 176.519 0.340 0.000 1.000 331 W CA -0.796 56.776 57.345 0.379 0.000 1.353 331 W CB 1.032 30.597 29.460 0.175 0.000 1.276 331 W HN 0.343 nan 8.180 nan 0.000 0.417 332 V N 6.976 126.943 119.914 0.088 0.000 2.357 332 V HA 0.791 4.912 4.120 0.001 0.000 0.284 332 V C 0.024 176.064 176.094 -0.090 0.000 1.018 332 V CA -0.414 61.909 62.300 0.038 0.000 0.841 332 V CB 1.023 32.747 31.823 -0.165 0.000 0.991 332 V HN 0.605 nan 8.190 nan 0.000 0.437 333 G N 7.048 115.826 108.800 -0.037 0.000 2.350 333 G HA2 0.585 4.546 3.960 0.001 0.000 0.306 333 G HA3 0.585 4.546 3.960 0.001 0.000 0.306 333 G C -0.860 173.929 174.900 -0.185 0.000 1.094 333 G CA -0.283 44.703 45.100 -0.191 0.000 0.953 333 G HN 0.959 nan 8.290 nan 0.000 0.420 334 F N 0.108 119.957 119.950 -0.169 0.000 2.790 334 F HA 0.804 5.332 4.527 0.001 0.000 0.337 334 F C -1.083 174.814 175.800 0.161 0.000 1.163 334 F CA -2.081 55.876 58.000 -0.071 0.000 0.997 334 F CB 0.997 39.941 39.000 -0.093 0.000 1.437 334 F HN 0.219 nan 8.300 nan 0.000 0.512 335 D N 0.133 120.645 120.400 0.187 0.000 2.252 335 D HA 0.447 5.087 4.640 0.001 0.000 0.245 335 D C -1.064 175.319 176.300 0.139 0.000 1.009 335 D CA -0.131 53.940 54.000 0.118 0.000 0.870 335 D CB 1.734 42.743 40.800 0.349 0.000 1.251 335 D HN 0.639 nan 8.370 nan 0.000 0.460 336 D N -1.070 119.341 120.400 0.019 0.000 2.689 336 D HA 0.237 4.877 4.640 0.001 0.000 0.255 336 D C 0.900 177.136 176.300 -0.107 0.000 1.113 336 D CA -0.738 53.312 54.000 0.084 0.000 1.115 336 D CB 0.111 41.004 40.800 0.155 0.000 1.334 336 D HN 0.069 nan 8.370 nan 0.000 0.621 337 V N -0.354 119.512 119.914 -0.081 0.000 2.332 337 V HA -0.230 3.891 4.120 0.001 0.000 0.248 337 V C 2.360 178.477 176.094 0.038 0.000 1.055 337 V CA 2.360 64.621 62.300 -0.066 0.000 1.038 337 V CB -0.784 31.020 31.823 -0.030 0.000 0.651 337 V HN 0.643 nan 8.190 nan 0.000 0.450 338 E N 0.486 120.708 120.200 0.037 0.000 2.106 338 E HA -0.188 4.162 4.350 0.001 0.000 0.192 338 E C 2.325 178.972 176.600 0.078 0.000 0.984 338 E CA 1.412 57.841 56.400 0.049 0.000 0.806 338 E CB -0.073 29.639 29.700 0.020 0.000 0.750 338 E HN 0.775 nan 8.360 nan 0.000 0.458 339 S N -0.343 115.410 115.700 0.087 0.000 2.423 339 S HA -0.112 4.358 4.470 0.001 0.000 0.231 339 S C 1.713 176.455 174.600 0.237 0.000 1.014 339 S CA 0.502 58.773 58.200 0.119 0.000 0.965 339 S CB -0.328 62.929 63.200 0.096 0.000 0.785 339 S HN 0.173 nan 8.310 nan 0.000 0.495 340 F N 2.092 122.039 119.950 -0.005 0.000 2.234 340 F HA 0.311 4.839 4.527 0.001 0.000 0.296 340 F C 2.387 178.196 175.800 0.016 0.000 1.089 340 F CA 0.134 58.138 58.000 0.007 0.000 1.343 340 F CB -0.416 38.581 39.000 -0.005 0.000 1.040 340 F HN 0.128 nan 8.300 nan 0.000 0.498 341 K N -0.387 120.127 120.400 0.189 0.000 2.032 341 K HA -0.161 4.160 4.320 0.001 0.000 0.209 341 K C 1.946 178.593 176.600 0.078 0.000 1.048 341 K CA 2.074 58.426 56.287 0.108 0.000 0.927 341 K CB -0.510 32.040 32.500 0.082 0.000 0.712 341 K HN 0.210 nan 8.250 nan 0.000 0.441 342 T N 1.320 115.919 114.554 0.076 0.000 2.595 342 T HA -0.180 4.170 4.350 0.001 0.000 0.264 342 T C 1.767 176.503 174.700 0.060 0.000 1.058 342 T CA 1.512 63.652 62.100 0.066 0.000 1.166 342 T CB -0.215 68.684 68.868 0.051 0.000 0.863 342 T HN 0.233 nan 8.240 nan 0.000 0.415 343 K N 0.460 120.869 120.400 0.014 0.000 2.074 343 K HA -0.086 4.234 4.320 0.001 0.000 0.209 343 K C 2.337 178.956 176.600 0.032 0.000 1.048 343 K CA 1.085 57.363 56.287 -0.015 0.000 0.926 343 K CB -0.586 31.838 32.500 -0.126 0.000 0.713 343 K HN 0.116 nan 8.250 nan 0.000 0.444 344 V N 0.610 120.523 119.914 -0.001 0.000 2.392 344 V HA -0.269 3.852 4.120 0.001 0.000 0.249 344 V C 2.349 178.467 176.094 0.039 0.000 1.059 344 V CA 1.980 64.285 62.300 0.008 0.000 1.051 344 V CB -0.353 31.477 31.823 0.013 0.000 0.658 344 V HN 0.371 nan 8.190 nan 0.000 0.455 345 S N -1.280 114.456 115.700 0.060 0.000 2.355 345 S HA -0.237 4.233 4.470 0.001 0.000 0.222 345 S C 1.984 176.631 174.600 0.079 0.000 1.031 345 S CA 1.802 60.040 58.200 0.064 0.000 0.993 345 S CB -0.416 62.829 63.200 0.075 0.000 0.859 345 S HN 0.688 nan 8.310 nan 0.000 0.453 346 Y N 2.073 122.371 120.300 -0.003 0.000 2.128 346 Y HA -0.139 4.411 4.550 0.001 0.000 0.284 346 Y C 2.107 178.004 175.900 -0.005 0.000 1.154 346 Y CA 1.975 60.074 58.100 -0.002 0.000 1.149 346 Y CB -0.691 37.734 38.460 -0.058 0.000 0.976 346 Y HN 0.327 nan 8.280 nan 0.000 0.505 347 L N 0.547 121.821 121.223 0.084 0.000 1.963 347 L HA -0.367 3.973 4.340 0.001 0.000 0.220 347 L C 2.451 179.268 176.870 -0.089 0.000 1.076 347 L CA 2.489 57.331 54.840 0.002 0.000 0.772 347 L CB -0.524 41.557 42.059 0.038 0.000 0.892 347 L HN 0.247 nan 8.230 nan 0.000 0.435 348 K N -0.926 119.444 120.400 -0.051 0.000 2.009 348 K HA -0.240 4.081 4.320 0.001 0.000 0.210 348 K C 2.170 178.719 176.600 -0.084 0.000 1.049 348 K CA 1.731 57.988 56.287 -0.050 0.000 0.929 348 K CB -0.292 32.195 32.500 -0.022 0.000 0.714 348 K HN 0.419 nan 8.250 nan 0.000 0.440 349 Q N 0.964 120.698 119.800 -0.110 0.000 2.062 349 Q HA -0.196 4.145 4.340 0.001 0.000 0.209 349 Q C 1.815 177.709 176.000 -0.176 0.000 0.996 349 Q CA 1.599 57.323 55.803 -0.132 0.000 0.859 349 Q CB -0.102 28.548 28.738 -0.147 0.000 0.920 349 Q HN 0.221 nan 8.270 nan 0.000 0.415 350 K N -0.903 119.318 120.400 -0.298 0.000 2.432 350 K HA 0.050 4.370 4.320 0.001 0.000 0.196 350 K C 0.826 177.351 176.600 -0.125 0.000 1.038 350 K CA 0.767 56.904 56.287 -0.251 0.000 0.986 350 K CB 0.032 32.294 32.500 -0.396 0.000 0.782 350 K HN 0.406 nan 8.250 nan 0.000 0.485 351 G N 2.160 110.900 108.800 -0.101 0.000 2.326 351 G HA2 -0.236 3.725 3.960 0.001 0.000 0.286 351 G HA3 -0.236 3.725 3.960 0.001 0.000 0.286 351 G C -0.172 174.707 174.900 -0.035 0.000 1.096 351 G CA -0.118 44.951 45.100 -0.053 0.000 1.003 351 G HN 0.164 nan 8.290 nan 0.000 0.503 352 L N -0.541 120.659 121.223 -0.039 0.000 2.399 352 L HA 0.587 4.928 4.340 0.001 0.000 0.265 352 L C 1.955 178.814 176.870 -0.018 0.000 1.089 352 L CA -0.212 54.618 54.840 -0.016 0.000 0.802 352 L CB 1.018 43.073 42.059 -0.006 0.000 1.180 352 L HN 0.244 nan 8.230 nan 0.000 0.454 353 G N 0.211 109.001 108.800 -0.016 0.000 2.559 353 G HA2 0.330 4.290 3.960 0.001 0.000 0.216 353 G HA3 0.330 4.290 3.960 0.001 0.000 0.216 353 G C 0.568 175.427 174.900 -0.068 0.000 1.126 353 G CA 0.773 45.850 45.100 -0.037 0.000 0.778 353 G HN 0.943 nan 8.290 nan 0.000 0.543 354 G N -1.946 106.818 108.800 -0.059 0.000 2.352 354 G HA2 0.573 4.534 3.960 0.001 0.000 0.283 354 G HA3 0.573 4.534 3.960 0.001 0.000 0.283 354 G C -1.264 173.605 174.900 -0.052 0.000 1.308 354 G CA -0.153 44.907 45.100 -0.067 0.000 0.892 354 G HN 1.001 nan 8.290 nan 0.000 0.504 355 A N -0.419 122.371 122.820 -0.050 0.000 2.354 355 A HA 0.905 5.226 4.320 0.001 0.000 0.321 355 A C -0.205 177.375 177.584 -0.007 0.000 1.125 355 A CA -0.481 51.540 52.037 -0.026 0.000 0.799 355 A CB 1.890 20.868 19.000 -0.037 0.000 1.293 355 A HN 1.625 nan 8.150 nan 0.000 0.452 356 M N 2.158 121.793 119.600 0.058 0.000 2.464 356 M HA 0.635 5.115 4.480 0.001 0.000 0.308 356 M C -2.185 174.255 176.300 0.234 0.000 1.127 356 M CA -0.551 54.835 55.300 0.144 0.000 0.913 356 M CB 1.654 34.381 32.600 0.211 0.000 1.689 356 M HN 0.422 nan 8.290 nan 0.000 0.445 357 V N 4.945 125.032 119.914 0.288 0.000 2.588 357 V HA 0.543 4.663 4.120 0.001 0.000 0.304 357 V C -1.374 174.987 176.094 0.445 0.000 1.042 357 V CA -0.648 61.852 62.300 0.333 0.000 0.877 357 V CB 2.228 34.199 31.823 0.247 0.000 0.996 357 V HN 0.875 nan 8.190 nan 0.000 0.425 358 W N 5.636 127.076 121.300 0.233 0.000 2.424 358 W HA 0.821 5.482 4.660 0.001 0.000 0.318 358 W C -0.748 175.832 176.519 0.102 0.000 1.016 358 W CA -0.574 56.844 57.345 0.122 0.000 1.268 358 W CB 1.749 31.178 29.460 -0.052 0.000 1.297 358 W HN 0.734 nan 8.180 nan 0.000 0.428 359 A N 5.233 127.919 122.820 -0.223 0.000 2.566 359 A HA 0.495 4.816 4.320 0.001 0.000 0.292 359 A C 0.305 177.699 177.584 -0.318 0.000 1.112 359 A CA -0.669 51.018 52.037 -0.583 0.000 0.707 359 A CB 1.454 19.562 19.000 -1.486 0.000 1.302 359 A HN 0.652 nan 8.150 nan 0.000 0.409 360 L N 0.621 121.654 121.223 -0.317 0.000 1.963 360 L HA -0.260 4.080 4.340 0.001 0.000 0.220 360 L C 2.354 178.946 176.870 -0.463 0.000 1.076 360 L CA 2.346 57.047 54.840 -0.233 0.000 0.772 360 L CB -0.490 41.449 42.059 -0.201 0.000 0.892 360 L HN 0.983 nan 8.230 nan 0.000 0.435 361 D N -0.073 119.709 120.400 -1.030 0.000 2.354 361 D HA -0.216 4.424 4.640 0.001 0.000 0.216 361 D C 1.929 178.153 176.300 -0.126 0.000 0.970 361 D CA 1.133 54.487 54.000 -1.075 0.000 0.905 361 D CB -0.169 39.961 40.800 -1.118 0.000 0.903 361 D HN 0.445 nan 8.370 nan 0.000 0.508 362 L N -0.142 121.045 121.223 -0.061 0.000 2.529 362 L HA 0.099 4.440 4.340 0.001 0.000 0.223 362 L C 1.224 178.273 176.870 0.297 0.000 1.113 362 L CA -0.167 54.777 54.840 0.172 0.000 0.861 362 L CB -0.035 42.066 42.059 0.070 0.000 1.012 362 L HN -0.085 nan 8.230 nan 0.000 0.461 363 D N -0.033 120.520 120.400 0.256 0.000 2.433 363 D HA -0.036 4.604 4.640 0.001 0.000 0.255 363 D C -0.258 176.174 176.300 0.219 0.000 1.226 363 D CA -0.265 53.858 54.000 0.204 0.000 1.015 363 D CB 1.025 41.922 40.800 0.161 0.000 1.091 363 D HN -0.176 nan 8.370 nan 0.000 0.527 364 D N 0.455 120.872 120.400 0.029 0.000 2.713 364 D HA 0.005 4.645 4.640 0.001 0.000 0.229 364 D C 1.003 177.031 176.300 -0.453 0.000 1.136 364 D CA -0.392 53.415 54.000 -0.322 0.000 1.010 364 D CB -1.133 39.484 40.800 -0.306 0.000 1.084 364 D HN 0.333 nan 8.370 nan 0.000 0.495 365 F N 0.634 120.368 119.950 -0.359 0.000 2.346 365 F HA -0.009 4.518 4.527 0.001 0.000 0.301 365 F C 1.226 176.719 175.800 -0.511 0.000 1.070 365 F CA 0.693 58.183 58.000 -0.851 0.000 1.407 365 F CB -0.414 38.334 39.000 -0.421 0.000 1.072 365 F HN 0.217 nan 8.300 nan 0.000 0.543 366 A N -0.005 122.548 122.820 -0.445 0.000 2.624 366 A HA 0.560 4.881 4.320 0.001 0.000 0.287 366 A C 1.389 178.914 177.584 -0.098 0.000 1.087 366 A CA 0.033 52.002 52.037 -0.114 0.000 0.964 366 A CB -0.888 18.106 19.000 -0.010 0.000 1.231 366 A HN 0.924 nan 8.150 nan 0.000 0.551 367 G N 0.501 109.143 108.800 -0.263 0.000 2.395 367 G HA2 -0.306 3.654 3.960 0.001 0.000 0.292 367 G HA3 -0.306 3.654 3.960 0.001 0.000 0.292 367 G C 0.277 175.065 174.900 -0.187 0.000 0.953 367 G CA 0.858 45.814 45.100 -0.240 0.000 1.207 367 G HN 1.497 nan 8.290 nan 0.000 0.503 368 F N -1.384 118.409 119.950 -0.262 0.000 2.678 368 F HA 0.493 5.021 4.527 0.001 0.000 0.305 368 F C 1.366 177.079 175.800 -0.145 0.000 1.090 368 F CA 0.293 58.163 58.000 -0.217 0.000 1.272 368 F CB 0.120 38.932 39.000 -0.313 0.000 1.060 368 F HN 0.524 nan 8.300 nan 0.000 0.576 369 S N -2.990 112.438 115.700 -0.454 0.000 2.475 369 S HA 0.076 4.547 4.470 0.001 0.000 0.270 369 S C 0.853 175.332 174.600 -0.201 0.000 1.026 369 S CA 0.358 58.421 58.200 -0.229 0.000 1.437 369 S CB -0.903 62.195 63.200 -0.170 0.000 1.215 369 S HN 0.270 nan 8.310 nan 0.000 0.648 370 C N 1.975 121.127 119.300 -0.247 0.000 2.590 370 C HA 0.463 4.923 4.460 0.001 0.000 0.272 370 C C 1.189 176.132 174.990 -0.080 0.000 1.338 370 C CA 0.395 59.328 59.018 -0.141 0.000 1.746 370 C CB -1.405 26.308 27.740 -0.045 0.000 2.020 370 C HN 0.864 nan 8.230 nan 0.000 0.531 371 N N 0.528 119.176 118.700 -0.087 0.000 2.758 371 N HA -0.202 4.538 4.740 0.001 0.000 0.248 371 N C 0.102 175.594 175.510 -0.030 0.000 1.076 371 N CA 0.633 53.654 53.050 -0.049 0.000 0.696 371 N CB -1.244 37.222 38.487 -0.034 0.000 0.979 371 N HN 0.727 nan 8.380 nan 0.000 0.550 372 Q N -0.822 118.957 119.800 -0.035 0.000 2.064 372 Q HA 0.368 4.708 4.340 0.001 0.000 0.213 372 Q C 0.795 176.783 176.000 -0.020 0.000 0.779 372 Q CA 0.023 55.817 55.803 -0.015 0.000 1.032 372 Q CB 1.132 29.874 28.738 0.008 0.000 1.203 372 Q HN 0.583 nan 8.270 nan 0.000 0.457 373 G N 1.783 110.562 108.800 -0.034 0.000 2.660 373 G HA2 -0.243 3.717 3.960 0.001 0.000 0.215 373 G HA3 -0.243 3.717 3.960 0.001 0.000 0.215 373 G C -0.787 174.088 174.900 -0.041 0.000 1.345 373 G CA -0.914 44.173 45.100 -0.022 0.000 0.877 373 G HN 0.188 nan 8.290 nan 0.000 0.549 374 R N -0.890 119.610 120.500 0.001 0.000 2.615 374 R HA 0.393 4.733 4.340 0.001 0.000 0.270 374 R C 0.100 176.441 176.300 0.069 0.000 1.081 374 R CA -0.080 56.019 56.100 -0.002 0.000 1.154 374 R CB 0.131 30.503 30.300 0.120 0.000 1.063 374 R HN 0.659 nan 8.270 nan 0.000 0.519 375 Y N -0.570 119.770 120.300 0.065 0.000 2.952 375 Y HA -0.221 4.329 4.550 0.001 0.000 0.219 375 Y C -1.645 174.243 175.900 -0.020 0.000 1.085 375 Y CA -0.452 57.678 58.100 0.051 0.000 0.872 375 Y CB -1.603 36.910 38.460 0.088 0.000 1.114 375 Y HN 0.627 nan 8.280 nan 0.000 0.482 376 P HA -0.264 nan 4.420 nan 0.000 0.213 376 P C 1.778 178.994 177.300 -0.140 0.000 1.176 376 P CA 1.843 64.899 63.100 -0.074 0.000 0.919 376 P CB 0.126 31.750 31.700 -0.127 0.000 0.791 377 L N -1.462 119.574 121.223 -0.312 0.000 1.994 377 L HA -0.176 4.164 4.340 0.001 0.000 0.208 377 L C 2.511 179.360 176.870 -0.037 0.000 1.071 377 L CA 1.627 56.208 54.840 -0.431 0.000 0.745 377 L CB -1.012 40.572 42.059 -0.792 0.000 0.892 377 L HN -0.072 nan 8.230 nan 0.000 0.431 378 I N -0.585 120.042 120.570 0.095 0.000 2.493 378 I HA -0.248 3.922 4.170 0.001 0.000 0.254 378 I C 2.598 178.790 176.117 0.126 0.000 1.160 378 I CA 0.761 62.167 61.300 0.178 0.000 1.445 378 I CB -0.196 37.897 38.000 0.156 0.000 1.086 378 I HN 0.310 nan 8.210 nan 0.000 0.433 379 Q N 0.880 120.746 119.800 0.110 0.000 2.119 379 Q HA -0.142 4.198 4.340 0.001 0.000 0.201 379 Q C 2.089 178.133 176.000 0.074 0.000 0.972 379 Q CA 1.944 57.796 55.803 0.083 0.000 0.847 379 Q CB -0.238 28.553 28.738 0.087 0.000 0.903 379 Q HN 0.356 nan 8.270 nan 0.000 0.433 380 T N 0.779 115.382 114.554 0.081 0.000 2.746 380 T HA -0.118 4.232 4.350 0.001 0.000 0.267 380 T C 1.624 176.396 174.700 0.120 0.000 1.039 380 T CA 1.353 63.508 62.100 0.093 0.000 1.142 380 T CB -0.221 68.708 68.868 0.101 0.000 0.866 380 T HN 0.227 nan 8.240 nan 0.000 0.444 381 L N 0.412 121.734 121.223 0.165 0.000 2.017 381 L HA -0.078 4.262 4.340 0.001 0.000 0.208 381 L C 2.840 179.750 176.870 0.066 0.000 1.073 381 L CA 1.465 56.380 54.840 0.124 0.000 0.745 381 L CB -0.502 41.643 42.059 0.144 0.000 0.894 381 L HN 0.144 nan 8.230 nan 0.000 0.432 382 R N -0.341 120.194 120.500 0.057 0.000 2.091 382 R HA -0.198 4.143 4.340 0.001 0.000 0.238 382 R C 2.441 178.757 176.300 0.027 0.000 1.136 382 R CA 1.468 57.586 56.100 0.030 0.000 0.959 382 R CB -0.050 30.261 30.300 0.019 0.000 0.856 382 R HN 0.381 nan 8.270 nan 0.000 0.437 383 Q N 0.219 120.040 119.800 0.036 0.000 1.993 383 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 383 Q C 2.005 178.022 176.000 0.029 0.000 0.984 383 Q CA 1.371 57.193 55.803 0.030 0.000 0.837 383 Q CB -0.218 28.541 28.738 0.035 0.000 0.902 383 Q HN 0.413 nan 8.270 nan 0.000 0.423 384 E N 0.939 121.162 120.200 0.038 0.000 2.118 384 E HA -0.119 4.232 4.350 0.001 0.000 0.195 384 E C 2.255 178.869 176.600 0.022 0.000 0.992 384 E CA 0.613 57.033 56.400 0.033 0.000 0.804 384 E CB -0.313 29.414 29.700 0.044 0.000 0.741 384 E HN 0.337 nan 8.360 nan 0.000 0.458 385 L N 1.076 122.311 121.223 0.020 0.000 2.191 385 L HA -0.123 4.217 4.340 0.001 0.000 0.212 385 L C 1.349 178.222 176.870 0.005 0.000 1.103 385 L CA 0.737 55.583 54.840 0.009 0.000 0.769 385 L CB -0.216 41.846 42.059 0.005 0.000 0.908 385 L HN 0.051 nan 8.230 nan 0.000 0.438 386 S N 0.000 115.704 115.700 0.007 0.000 2.498 386 S HA 0.000 4.470 4.470 0.001 0.000 0.327 386 S CA 0.000 58.203 58.200 0.004 0.000 1.107 386 S CB 0.000 63.201 63.200 0.001 0.000 0.593 386 S HN 0.000 nan 8.310 nan 0.000 0.517