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 1x74_1_B DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.542 177.584 -0.070 0.000 1.274 2 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 2 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 3 G N 0.465 109.208 108.800 -0.096 0.000 2.611 3 G HA2 0.476 4.436 3.960 -0.000 0.000 0.273 3 G HA3 0.476 4.436 3.960 -0.000 0.000 0.273 3 G C -0.626 174.122 174.900 -0.253 0.000 1.305 3 G CA -0.445 44.550 45.100 -0.175 0.000 1.010 3 G HN 0.064 nan 8.290 nan 0.000 0.509 4 P HA -0.027 nan 4.420 nan 0.000 0.223 4 P C 1.328 178.475 177.300 -0.255 0.000 1.151 4 P CA 0.841 63.693 63.100 -0.413 0.000 0.787 4 P CB 0.189 31.449 31.700 -0.733 0.000 0.788 5 L N -0.714 120.374 121.223 -0.225 0.000 2.629 5 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 5 L C 1.182 177.993 176.870 -0.098 0.000 1.151 5 L CA -0.252 54.507 54.840 -0.136 0.000 0.924 5 L CB -0.456 41.536 42.059 -0.111 0.000 1.137 5 L HN -0.089 nan 8.230 nan 0.000 0.457 6 S N 0.402 116.043 115.700 -0.099 0.000 2.563 6 S HA 0.203 4.673 4.470 -0.000 0.000 0.294 6 S C 1.355 175.917 174.600 -0.063 0.000 1.279 6 S CA 1.048 59.207 58.200 -0.069 0.000 1.069 6 S CB 0.350 63.512 63.200 -0.065 0.000 0.828 6 S HN 0.711 nan 8.310 nan 0.000 0.497 7 G N 3.013 111.781 108.800 -0.053 0.000 2.234 7 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 7 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 7 G C -0.011 174.829 174.900 -0.100 0.000 0.997 7 G CA 0.138 45.196 45.100 -0.070 0.000 0.623 7 G HN 0.958 nan 8.290 nan 0.000 0.514 8 L N 2.126 123.298 121.223 -0.084 0.000 2.360 8 L HA 0.674 5.013 4.340 -0.000 0.000 0.276 8 L C 0.682 177.490 176.870 -0.103 0.000 1.121 8 L CA -0.317 54.465 54.840 -0.096 0.000 0.845 8 L CB 0.422 42.441 42.059 -0.067 0.000 1.143 8 L HN 0.252 nan 8.230 nan 0.000 0.452 9 R N 4.166 124.547 120.500 -0.199 0.000 2.294 9 R HA 0.646 4.986 4.340 -0.000 0.000 0.319 9 R C -1.303 174.939 176.300 -0.098 0.000 0.984 9 R CA -0.671 55.269 56.100 -0.267 0.000 0.861 9 R CB 1.540 31.305 30.300 -0.891 0.000 1.104 9 R HN 0.466 nan 8.270 nan 0.000 0.451 10 V N 3.898 123.883 119.914 0.118 0.000 2.588 10 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 10 V C -0.393 175.831 176.094 0.215 0.000 1.042 10 V CA -0.894 61.474 62.300 0.113 0.000 0.877 10 V CB 2.192 34.053 31.823 0.063 0.000 0.996 10 V HN 0.431 nan 8.190 nan 0.000 0.425 11 V N 3.920 123.921 119.914 0.145 0.000 2.398 11 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 11 V C -0.030 176.078 176.094 0.024 0.000 1.026 11 V CA -0.453 61.916 62.300 0.116 0.000 0.868 11 V CB 1.659 33.555 31.823 0.122 0.000 0.982 11 V HN 0.968 nan 8.190 nan 0.000 0.443 12 E N 5.295 125.502 120.200 0.012 0.000 2.129 12 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 12 E C -1.253 175.333 176.600 -0.024 0.000 0.900 12 E CA -0.682 55.705 56.400 -0.021 0.000 0.755 12 E CB 1.309 31.004 29.700 -0.008 0.000 1.117 12 E HN 0.641 nan 8.360 nan 0.000 0.410 13 L N 3.879 125.067 121.223 -0.058 0.000 2.283 13 L HA 0.360 4.700 4.340 -0.000 0.000 0.287 13 L C 0.563 177.400 176.870 -0.054 0.000 1.073 13 L CA -0.669 54.158 54.840 -0.022 0.000 0.822 13 L CB 0.944 43.002 42.059 -0.003 0.000 1.186 13 L HN 0.630 nan 8.230 nan 0.000 0.436 14 A N 3.359 126.197 122.820 0.030 0.000 2.567 14 A HA 0.465 4.785 4.320 -0.000 0.000 0.240 14 A C 0.688 178.292 177.584 0.033 0.000 1.053 14 A CA 0.830 52.886 52.037 0.033 0.000 0.755 14 A CB -0.029 19.007 19.000 0.060 0.000 0.978 14 A HN 0.895 nan 8.150 nan 0.000 0.507 15 G N 0.450 109.252 108.800 0.002 0.000 2.815 15 G HA2 0.594 4.554 3.960 -0.000 0.000 0.305 15 G HA3 0.594 4.554 3.960 -0.000 0.000 0.305 15 G C -1.215 173.712 174.900 0.045 0.000 1.277 15 G CA -0.662 44.442 45.100 0.008 0.000 0.795 15 G HN 0.715 nan 8.290 nan 0.000 0.528 16 I N 0.141 120.744 120.570 0.054 0.000 2.582 16 I HA 0.620 4.790 4.170 -0.000 0.000 0.292 16 I C 0.864 177.036 176.117 0.090 0.000 1.066 16 I CA 0.748 62.099 61.300 0.085 0.000 1.053 16 I CB 2.010 40.070 38.000 0.100 0.000 1.241 16 I HN 1.343 nan 8.210 nan 0.000 0.421 17 G N 6.521 115.403 108.800 0.136 0.000 2.650 17 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.264 17 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.264 17 G C -1.945 173.095 174.900 0.233 0.000 1.263 17 G CA 0.145 45.334 45.100 0.148 0.000 0.960 17 G HN 0.443 nan 8.290 nan 0.000 0.548 18 P HA 0.001 nan 4.420 nan 0.000 0.216 18 P C 2.096 179.515 177.300 0.199 0.000 1.153 18 P CA 2.788 65.998 63.100 0.183 0.000 0.844 18 P CB -0.763 30.951 31.700 0.023 0.000 0.787 19 G N 1.658 110.513 108.800 0.091 0.000 2.514 19 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G C -0.582 174.365 174.900 0.078 0.000 1.198 19 G CA 1.409 46.538 45.100 0.048 0.000 0.780 19 G HN 0.294 nan 8.290 nan 0.000 0.565 20 P HA -0.104 nan 4.420 nan 0.000 0.220 20 P C 1.175 178.554 177.300 0.132 0.000 1.148 20 P CA 1.573 64.731 63.100 0.096 0.000 0.803 20 P CB -0.118 31.641 31.700 0.098 0.000 0.782 21 H N 0.564 119.700 119.070 0.111 0.000 2.363 21 H HA 0.091 4.647 4.556 -0.000 0.000 0.301 21 H C 1.974 177.339 175.328 0.062 0.000 1.074 21 H CA 1.844 57.940 56.048 0.079 0.000 1.354 21 H CB -0.545 29.310 29.762 0.155 0.000 1.397 21 H HN -0.016 nan 8.280 nan 0.000 0.516 22 A N 1.066 123.948 122.820 0.103 0.000 1.877 22 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 22 A C 2.624 180.191 177.584 -0.028 0.000 1.186 22 A CA 1.823 53.872 52.037 0.019 0.000 0.620 22 A CB -1.479 17.563 19.000 0.070 0.000 0.822 22 A HN 0.615 nan 8.150 nan 0.000 0.443 23 A N -0.600 122.219 122.820 -0.002 0.000 1.908 23 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 23 A C 2.295 179.861 177.584 -0.030 0.000 1.181 23 A CA 2.106 54.138 52.037 -0.010 0.000 0.627 23 A CB -0.612 18.390 19.000 0.004 0.000 0.818 23 A HN 0.648 nan 8.150 nan 0.000 0.445 24 M N -0.480 119.091 119.600 -0.048 0.000 2.073 24 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 24 M C 2.011 178.254 176.300 -0.095 0.000 1.070 24 M CA 2.144 57.404 55.300 -0.067 0.000 1.103 24 M CB -0.343 32.207 32.600 -0.082 0.000 1.321 24 M HN 0.444 nan 8.290 nan 0.000 0.405 25 I N 0.334 120.808 120.570 -0.160 0.000 2.286 25 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 25 I C 2.261 178.339 176.117 -0.066 0.000 1.115 25 I CA 1.007 62.227 61.300 -0.132 0.000 1.392 25 I CB -0.394 37.499 38.000 -0.179 0.000 1.065 25 I HN 0.385 nan 8.210 nan 0.000 0.418 26 L N 0.351 121.541 121.223 -0.054 0.000 1.989 26 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 26 L C 2.706 179.557 176.870 -0.032 0.000 1.071 26 L CA 1.822 56.642 54.840 -0.035 0.000 0.749 26 L CB -1.277 40.769 42.059 -0.021 0.000 0.890 26 L HN 0.328 nan 8.230 nan 0.000 0.431 27 G N -0.646 108.138 108.800 -0.026 0.000 2.422 27 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 27 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 27 G C 1.120 176.002 174.900 -0.030 0.000 1.146 27 G CA 0.829 45.918 45.100 -0.019 0.000 0.769 27 G HN 0.294 nan 8.290 nan 0.000 0.547 28 D N 0.672 121.051 120.400 -0.035 0.000 2.116 28 D HA -0.093 4.547 4.640 -0.000 0.000 0.193 28 D C 2.335 178.616 176.300 -0.031 0.000 0.998 28 D CA 0.667 54.647 54.000 -0.033 0.000 0.836 28 D CB -0.281 40.501 40.800 -0.029 0.000 0.951 28 D HN 0.278 nan 8.370 nan 0.000 0.449 29 L N -0.919 120.282 121.223 -0.036 0.000 2.627 29 L HA 0.195 4.535 4.340 -0.000 0.000 0.233 29 L C 1.454 178.258 176.870 -0.110 0.000 1.144 29 L CA 0.539 55.335 54.840 -0.073 0.000 0.892 29 L CB -0.116 41.893 42.059 -0.083 0.000 1.039 29 L HN 0.204 nan 8.230 nan 0.000 0.442 30 G N -0.463 108.294 108.800 -0.072 0.000 2.211 30 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.201 30 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.201 30 G C 0.459 175.333 174.900 -0.044 0.000 0.997 30 G CA -0.141 44.920 45.100 -0.065 0.000 0.652 30 G HN 0.443 nan 8.290 nan 0.000 0.500 31 A N 0.267 123.065 122.820 -0.038 0.000 2.466 31 A HA 0.474 4.794 4.320 -0.000 0.000 0.238 31 A C 0.270 177.870 177.584 0.027 0.000 1.074 31 A CA 0.797 52.826 52.037 -0.014 0.000 0.774 31 A CB 0.329 19.320 19.000 -0.014 0.000 1.015 31 A HN 0.389 nan 8.150 nan 0.000 0.498 32 D N 1.713 122.154 120.400 0.069 0.000 2.441 32 D HA 0.383 5.023 4.640 -0.000 0.000 0.221 32 D C -0.922 175.513 176.300 0.225 0.000 1.156 32 D CA 0.049 54.146 54.000 0.162 0.000 0.896 32 D CB 0.391 41.340 40.800 0.248 0.000 1.028 32 D HN 0.096 nan 8.370 nan 0.000 0.509 33 V N 4.335 124.332 119.914 0.138 0.000 2.370 33 V HA 0.317 4.437 4.120 -0.000 0.000 0.283 33 V C 0.218 176.356 176.094 0.072 0.000 1.023 33 V CA -0.850 61.519 62.300 0.114 0.000 0.857 33 V CB 1.761 33.615 31.823 0.051 0.000 0.985 33 V HN 0.272 nan 8.190 nan 0.000 0.443 34 V N 5.994 125.950 119.914 0.070 0.000 2.357 34 V HA 0.492 4.612 4.120 -0.000 0.000 0.284 34 V C 0.170 176.249 176.094 -0.024 0.000 1.018 34 V CA -0.673 61.594 62.300 -0.055 0.000 0.841 34 V CB 1.553 33.222 31.823 -0.257 0.000 0.991 34 V HN 0.884 nan 8.190 nan 0.000 0.437 35 R N 5.608 126.089 120.500 -0.030 0.000 2.295 35 R HA 0.597 4.937 4.340 -0.000 0.000 0.324 35 R C -0.989 175.301 176.300 -0.017 0.000 0.968 35 R CA -0.573 55.519 56.100 -0.013 0.000 0.837 35 R CB 0.903 31.201 30.300 -0.003 0.000 1.133 35 R HN 0.701 nan 8.270 nan 0.000 0.450 36 I N 4.445 125.013 120.570 -0.003 0.000 2.312 36 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 36 I C 0.090 176.224 176.117 0.029 0.000 1.031 36 I CA -0.279 61.025 61.300 0.006 0.000 1.293 36 I CB 1.151 39.161 38.000 0.017 0.000 1.403 36 I HN 0.538 nan 8.210 nan 0.000 0.484 37 D N 6.057 126.470 120.400 0.021 0.000 2.384 37 D HA 0.388 5.028 4.640 -0.000 0.000 0.250 37 D C 0.051 176.370 176.300 0.031 0.000 1.029 37 D CA -0.657 53.363 54.000 0.033 0.000 0.990 37 D CB 1.571 42.383 40.800 0.020 0.000 1.175 37 D HN 0.355 nan 8.370 nan 0.000 0.532 38 R N 1.135 121.657 120.500 0.036 0.000 2.694 38 R HA 0.207 4.547 4.340 -0.000 0.000 0.268 38 R C -1.639 174.670 176.300 0.015 0.000 1.061 38 R CA -0.884 55.231 56.100 0.026 0.000 1.133 38 R CB -0.065 30.251 30.300 0.027 0.000 1.020 38 R HN 0.304 nan 8.270 nan 0.000 0.475 46 S N 5.345 121.046 115.700 0.002 0.000 2.562 46 S HA 0.346 4.816 4.470 -0.000 0.000 0.281 46 S C 0.948 175.550 174.600 0.003 0.000 1.333 46 S CA -0.006 58.197 58.200 0.005 0.000 1.052 46 S CB 0.679 63.885 63.200 0.010 0.000 0.884 46 S HN 0.695 nan 8.310 nan 0.000 0.506 47 R N 1.631 122.132 120.500 0.001 0.000 2.359 47 R HA 0.136 4.476 4.340 -0.000 0.000 0.231 47 R C -0.429 175.870 176.300 -0.002 0.000 0.913 47 R CA -0.096 56.002 56.100 -0.004 0.000 1.075 47 R CB 0.118 30.413 30.300 -0.008 0.000 1.087 47 R HN 0.529 nan 8.270 nan 0.000 0.515 48 D N 0.470 120.874 120.400 0.007 0.000 2.365 48 D HA 0.115 4.755 4.640 -0.000 0.000 0.237 48 D C 0.825 177.136 176.300 0.017 0.000 1.190 48 D CA -0.198 53.810 54.000 0.013 0.000 0.867 48 D CB 1.320 42.133 40.800 0.023 0.000 1.050 48 D HN 0.131 nan 8.370 nan 0.000 0.491 49 A N 4.574 127.401 122.820 0.013 0.000 2.121 49 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 49 A C 2.039 179.648 177.584 0.041 0.000 1.154 49 A CA 0.777 52.829 52.037 0.025 0.000 0.679 49 A CB -0.517 18.487 19.000 0.007 0.000 0.795 49 A HN 0.731 nan 8.150 nan 0.000 0.458 50 M N -0.575 119.047 119.600 0.037 0.000 2.358 50 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 50 M C 0.617 176.941 176.300 0.041 0.000 1.064 50 M CA 1.243 56.571 55.300 0.046 0.000 1.093 50 M CB -0.158 32.480 32.600 0.063 0.000 1.401 50 M HN 0.366 nan 8.290 nan 0.000 0.440 51 L N 1.425 122.670 121.223 0.035 0.000 2.688 51 L HA 0.131 4.471 4.340 -0.000 0.000 0.234 51 L C 0.891 177.775 176.870 0.024 0.000 1.192 51 L CA -0.445 54.411 54.840 0.028 0.000 0.984 51 L CB -0.921 41.152 42.059 0.024 0.000 1.232 51 L HN 0.320 nan 8.230 nan 0.000 0.465 52 R N -0.412 120.108 120.500 0.033 0.000 2.827 52 R HA 0.005 4.345 4.340 -0.000 0.000 0.269 52 R C -0.047 176.262 176.300 0.015 0.000 1.048 52 R CA -0.354 55.766 56.100 0.034 0.000 1.173 52 R CB 0.068 30.407 30.300 0.066 0.000 1.070 52 R HN 0.123 nan 8.270 nan 0.000 0.498 53 N N 0.488 119.191 118.700 0.005 0.000 2.738 53 N HA -0.146 4.593 4.740 -0.000 0.000 0.249 53 N C -1.217 174.294 175.510 0.001 0.000 1.047 53 N CA 1.131 54.179 53.050 -0.004 0.000 0.707 53 N CB -0.489 37.991 38.487 -0.013 0.000 0.937 53 N HN 0.589 nan 8.380 nan 0.000 0.545 54 R N 0.125 120.625 120.500 0.000 0.000 2.867 54 R HA 0.517 4.857 4.340 -0.000 0.000 0.268 54 R C 0.332 176.623 176.300 -0.015 0.000 1.014 54 R CA -0.670 55.429 56.100 -0.002 0.000 0.946 54 R CB 1.416 31.714 30.300 -0.003 0.000 1.208 54 R HN 0.080 nan 8.270 nan 0.000 0.477 55 R N 0.993 121.476 120.500 -0.030 0.000 2.393 55 R HA 0.514 4.854 4.340 -0.000 0.000 0.310 55 R C -0.153 176.113 176.300 -0.057 0.000 0.968 55 R CA -0.753 55.315 56.100 -0.054 0.000 0.867 55 R CB 1.270 31.514 30.300 -0.093 0.000 1.124 55 R HN 0.350 nan 8.270 nan 0.000 0.450 56 I N 4.736 125.277 120.570 -0.047 0.000 2.336 56 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 56 I C 0.522 176.607 176.117 -0.053 0.000 0.991 56 I CA -0.580 60.696 61.300 -0.040 0.000 1.227 56 I CB 1.201 39.188 38.000 -0.021 0.000 1.366 56 I HN 0.389 nan 8.210 nan 0.000 0.466 57 V N 3.033 122.913 119.914 -0.057 0.000 3.158 57 V HA 0.777 4.897 4.120 -0.000 0.000 0.315 57 V C -0.204 175.871 176.094 -0.033 0.000 1.148 57 V CA -0.454 61.811 62.300 -0.058 0.000 1.042 57 V CB 2.101 33.871 31.823 -0.088 0.000 1.101 57 V HN 0.741 nan 8.190 nan 0.000 0.448 58 T N 1.190 115.728 114.554 -0.028 0.000 2.861 58 T HA 0.870 5.220 4.350 -0.000 0.000 0.287 58 T C -0.646 174.048 174.700 -0.010 0.000 1.003 58 T CA 0.218 62.311 62.100 -0.012 0.000 0.977 58 T CB 1.327 70.188 68.868 -0.010 0.000 0.996 58 T HN 1.673 nan 8.240 nan 0.000 0.448 59 A N 2.577 125.397 122.820 0.001 0.000 2.555 59 A HA 0.568 4.888 4.320 -0.000 0.000 0.297 59 A C -1.534 176.056 177.584 0.010 0.000 1.060 59 A CA -0.760 51.279 52.037 0.003 0.000 0.710 59 A CB 1.448 20.451 19.000 0.005 0.000 1.282 59 A HN 0.665 nan 8.150 nan 0.000 0.399 60 D N 2.598 123.002 120.400 0.007 0.000 2.365 60 D HA 0.338 4.978 4.640 -0.000 0.000 0.237 60 D C 0.932 177.237 176.300 0.007 0.000 1.190 60 D CA -0.221 53.782 54.000 0.006 0.000 0.867 60 D CB 0.407 41.208 40.800 0.002 0.000 1.050 60 D HN 0.426 nan 8.370 nan 0.000 0.491 61 L N 3.162 124.391 121.223 0.009 0.000 2.362 61 L HA -0.079 4.261 4.340 -0.000 0.000 0.219 61 L C 2.009 178.881 176.870 0.003 0.000 1.134 61 L CA 0.744 55.592 54.840 0.013 0.000 0.807 61 L CB -0.140 41.931 42.059 0.020 0.000 0.927 61 L HN 0.314 nan 8.230 nan 0.000 0.447 62 K N -0.110 120.286 120.400 -0.006 0.000 2.418 62 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 62 K C 1.103 177.701 176.600 -0.002 0.000 1.035 62 K CA 0.222 56.504 56.287 -0.009 0.000 1.003 62 K CB 0.172 32.662 32.500 -0.017 0.000 0.793 62 K HN 0.316 nan 8.250 nan 0.000 0.494 63 S N 0.305 116.006 115.700 0.001 0.000 2.672 63 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 63 S C 0.516 175.120 174.600 0.007 0.000 1.207 63 S CA -0.794 57.407 58.200 0.003 0.000 1.002 63 S CB 1.510 64.712 63.200 0.003 0.000 0.998 63 S HN -0.078 nan 8.310 nan 0.000 0.542 64 D N 0.675 121.079 120.400 0.007 0.000 2.097 64 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 64 D C 1.893 178.199 176.300 0.010 0.000 0.989 64 D CA 1.502 55.508 54.000 0.009 0.000 0.827 64 D CB -0.409 40.396 40.800 0.007 0.000 0.966 64 D HN 0.764 nan 8.370 nan 0.000 0.456 65 Q N 0.114 119.918 119.800 0.008 0.000 2.050 65 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 65 Q C 2.134 178.139 176.000 0.009 0.000 0.980 65 Q CA 1.750 57.557 55.803 0.007 0.000 0.840 65 Q CB -0.300 28.440 28.738 0.004 0.000 0.898 65 Q HN 0.300 nan 8.270 nan 0.000 0.424 66 G N 0.883 109.688 108.800 0.009 0.000 2.402 66 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 66 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 66 G C 1.328 176.239 174.900 0.018 0.000 1.162 66 G CA 0.779 45.885 45.100 0.011 0.000 0.777 66 G HN 0.370 nan 8.290 nan 0.000 0.539 67 L N 0.687 121.923 121.223 0.020 0.000 2.027 67 L HA 0.069 4.409 4.340 -0.000 0.000 0.206 67 L C 2.597 179.485 176.870 0.031 0.000 1.074 67 L CA 2.636 57.493 54.840 0.029 0.000 0.745 67 L CB -0.703 41.373 42.059 0.027 0.000 0.898 67 L HN 0.425 nan 8.230 nan 0.000 0.433 68 E N -0.425 119.790 120.200 0.025 0.000 2.070 68 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 68 E C 2.213 178.830 176.600 0.027 0.000 1.004 68 E CA 2.009 58.424 56.400 0.025 0.000 0.805 68 E CB -0.307 29.405 29.700 0.019 0.000 0.744 68 E HN 0.607 nan 8.360 nan 0.000 0.451 69 L N 0.343 121.578 121.223 0.021 0.000 2.046 69 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 69 L C 2.712 179.597 176.870 0.024 0.000 1.077 69 L CA 1.111 55.961 54.840 0.017 0.000 0.747 69 L CB -0.508 41.553 42.059 0.004 0.000 0.896 69 L HN 0.250 nan 8.230 nan 0.000 0.432 70 A N 0.131 122.969 122.820 0.029 0.000 1.883 70 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 70 A C 2.245 179.865 177.584 0.060 0.000 1.186 70 A CA 1.635 53.697 52.037 0.041 0.000 0.624 70 A CB -0.795 18.233 19.000 0.047 0.000 0.822 70 A HN 0.372 nan 8.150 nan 0.000 0.444 71 L N -0.860 120.399 121.223 0.059 0.000 2.141 71 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 71 L C 2.578 179.492 176.870 0.073 0.000 1.094 71 L CA 1.463 56.344 54.840 0.068 0.000 0.763 71 L CB -0.375 41.720 42.059 0.059 0.000 0.908 71 L HN 0.367 nan 8.230 nan 0.000 0.437 72 K N -0.316 120.123 120.400 0.065 0.000 2.057 72 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 72 K C 2.065 178.734 176.600 0.115 0.000 1.049 72 K CA 1.119 57.450 56.287 0.073 0.000 0.931 72 K CB -0.191 32.341 32.500 0.054 0.000 0.714 72 K HN 0.090 nan 8.250 nan 0.000 0.440 73 L N 1.367 122.661 121.223 0.118 0.000 2.027 73 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 73 L C 2.046 179.082 176.870 0.276 0.000 1.074 73 L CA 1.438 56.398 54.840 0.201 0.000 0.745 73 L CB -0.278 41.834 42.059 0.088 0.000 0.898 73 L HN 0.118 nan 8.230 nan 0.000 0.433 74 I N -0.820 119.852 120.570 0.169 0.000 2.286 74 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 74 I C 2.500 178.680 176.117 0.104 0.000 1.115 74 I CA 1.132 62.513 61.300 0.134 0.000 1.392 74 I CB -0.540 37.518 38.000 0.098 0.000 1.065 74 I HN 0.293 nan 8.210 nan 0.000 0.418 75 A N 0.215 123.094 122.820 0.098 0.000 2.032 75 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 75 A C 2.072 179.682 177.584 0.044 0.000 1.165 75 A CA 1.629 53.707 52.037 0.067 0.000 0.645 75 A CB -0.227 18.812 19.000 0.065 0.000 0.807 75 A HN 0.237 nan 8.150 nan 0.000 0.453 76 K N -0.882 119.562 120.400 0.074 0.000 2.358 76 K HA 0.412 4.732 4.320 -0.000 0.000 0.197 76 K C 0.504 176.949 176.600 -0.257 0.000 1.025 76 K CA 0.647 56.919 56.287 -0.024 0.000 1.104 76 K CB 0.105 32.673 32.500 0.112 0.000 0.855 76 K HN 0.438 nan 8.250 nan 0.000 0.531 77 A N 0.951 123.674 122.820 -0.162 0.000 2.269 77 A HA 0.303 4.623 4.320 -0.000 0.000 0.319 77 A C 0.418 177.897 177.584 -0.174 0.000 1.110 77 A CA -0.410 51.468 52.037 -0.264 0.000 0.847 77 A CB 0.689 19.678 19.000 -0.020 0.000 1.161 77 A HN -0.001 nan 8.150 nan 0.000 0.497 78 D N -0.790 119.505 120.400 -0.175 0.000 2.277 78 D HA 0.156 4.796 4.640 -0.000 0.000 0.209 78 D C -0.140 176.129 176.300 -0.051 0.000 0.970 78 D CA 1.305 55.242 54.000 -0.105 0.000 0.874 78 D CB 0.554 41.287 40.800 -0.111 0.000 0.982 78 D HN 0.198 nan 8.370 nan 0.000 0.504 79 V N 1.449 121.336 119.914 -0.044 0.000 2.760 79 V HA 0.347 4.467 4.120 -0.000 0.000 0.309 79 V C -0.978 175.094 176.094 -0.036 0.000 1.077 79 V CA -0.963 61.321 62.300 -0.028 0.000 0.910 79 V CB 2.904 34.714 31.823 -0.021 0.000 1.008 79 V HN -0.069 nan 8.190 nan 0.000 0.424 80 L N 5.357 126.526 121.223 -0.091 0.000 2.362 80 L HA 0.740 5.080 4.340 -0.000 0.000 0.275 80 L C -0.983 175.758 176.870 -0.216 0.000 0.998 80 L CA 0.025 54.764 54.840 -0.169 0.000 0.820 80 L CB 1.550 43.427 42.059 -0.304 0.000 1.270 80 L HN 0.589 nan 8.230 nan 0.000 0.415 81 I N 4.190 124.661 120.570 -0.165 0.000 2.406 81 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 81 I C -0.923 175.075 176.117 -0.199 0.000 0.999 81 I CA -0.449 60.760 61.300 -0.151 0.000 1.124 81 I CB 1.828 39.781 38.000 -0.079 0.000 1.289 81 I HN 0.747 nan 8.210 nan 0.000 0.441 82 E N 4.210 124.279 120.200 -0.219 0.000 2.340 82 E HA 0.687 5.037 4.350 -0.000 0.000 0.273 82 E C -0.372 176.071 176.600 -0.263 0.000 0.891 82 E CA -0.885 55.339 56.400 -0.293 0.000 0.757 82 E CB 1.862 31.435 29.700 -0.212 0.000 1.231 82 E HN 0.547 nan 8.360 nan 0.000 0.439 83 G N 1.642 110.175 108.800 -0.446 0.000 4.238 83 G HA2 0.204 4.164 3.960 -0.000 0.000 0.292 83 G HA3 0.204 4.164 3.960 -0.000 0.000 0.292 83 G C -0.866 173.913 174.900 -0.201 0.000 1.036 83 G CA -0.339 44.607 45.100 -0.257 0.000 0.812 83 G HN 0.387 nan 8.290 nan 0.000 0.489 84 Y N 0.068 120.387 120.300 0.032 0.000 2.295 84 Y HA 0.417 4.967 4.550 -0.000 0.000 0.331 84 Y C 1.291 177.214 175.900 0.038 0.000 1.311 84 Y CA -1.081 57.041 58.100 0.035 0.000 1.430 84 Y CB 0.788 39.275 38.460 0.044 0.000 1.339 84 Y HN -0.047 nan 8.280 nan 0.000 0.552 85 R N 1.899 122.535 120.500 0.227 0.000 2.638 85 R HA 0.034 4.374 4.340 -0.000 0.000 0.268 85 R C -2.585 173.801 176.300 0.142 0.000 1.006 85 R CA -1.237 54.950 56.100 0.146 0.000 1.088 85 R CB -0.008 30.362 30.300 0.116 0.000 0.950 85 R HN 0.275 nan 8.270 nan 0.000 0.419 86 P HA -0.018 nan 4.420 nan 0.000 0.264 86 P C 0.199 177.548 177.300 0.082 0.000 1.183 86 P CA 1.190 64.348 63.100 0.096 0.000 0.763 86 P CB 0.741 32.486 31.700 0.075 0.000 0.807 87 G N 1.109 109.956 108.800 0.079 0.000 2.234 87 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.235 87 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.235 87 G C 1.016 175.953 174.900 0.061 0.000 0.997 87 G CA 0.213 45.348 45.100 0.057 0.000 0.623 87 G HN 0.394 nan 8.290 nan 0.000 0.514 88 V N 2.025 121.989 119.914 0.083 0.000 2.307 88 V HA -0.143 3.976 4.120 -0.000 0.000 0.245 88 V C 3.241 179.370 176.094 0.060 0.000 1.045 88 V CA 3.493 65.817 62.300 0.041 0.000 1.024 88 V CB -1.063 30.765 31.823 0.008 0.000 0.651 88 V HN 0.884 nan 8.190 nan 0.000 0.449 89 T N -1.485 113.168 114.554 0.165 0.000 2.788 89 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 89 T C 1.651 176.425 174.700 0.124 0.000 1.044 89 T CA 1.669 63.883 62.100 0.190 0.000 1.139 89 T CB -0.419 68.643 68.868 0.323 0.000 0.867 89 T HN 0.453 nan 8.240 nan 0.000 0.454 90 E N 1.155 121.411 120.200 0.093 0.000 2.070 90 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 90 E C 2.482 179.104 176.600 0.037 0.000 1.004 90 E CA 1.236 57.665 56.400 0.049 0.000 0.805 90 E CB -0.269 29.447 29.700 0.026 0.000 0.744 90 E HN 0.475 nan 8.360 nan 0.000 0.451 91 R N -0.150 120.368 120.500 0.030 0.000 2.115 91 R HA -0.009 4.331 4.340 -0.000 0.000 0.230 91 R C 2.085 178.392 176.300 0.012 0.000 1.111 91 R CA 0.750 56.858 56.100 0.014 0.000 0.976 91 R CB -0.137 30.165 30.300 0.003 0.000 0.870 91 R HN 0.201 nan 8.270 nan 0.000 0.445 92 L N -0.993 120.241 121.223 0.017 0.000 2.395 92 L HA 0.054 4.394 4.340 -0.000 0.000 0.218 92 L C 1.222 178.112 176.870 0.034 0.000 1.130 92 L CA 0.782 55.632 54.840 0.017 0.000 0.826 92 L CB 0.111 42.180 42.059 0.017 0.000 0.941 92 L HN 0.520 nan 8.230 nan 0.000 0.451 93 G N -0.109 108.717 108.800 0.043 0.000 2.141 93 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.231 93 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.231 93 G C 0.452 175.395 174.900 0.072 0.000 0.984 93 G CA 0.016 45.145 45.100 0.047 0.000 0.660 93 G HN 0.293 nan 8.290 nan 0.000 0.525 94 L N 1.039 122.324 121.223 0.103 0.000 2.910 94 L HA 0.439 4.779 4.340 -0.000 0.000 0.252 94 L C 1.745 178.761 176.870 0.242 0.000 1.195 94 L CA 0.003 54.939 54.840 0.161 0.000 1.003 94 L CB 0.390 42.547 42.059 0.164 0.000 1.328 94 L HN 0.311 nan 8.230 nan 0.000 0.540 95 G N 0.450 109.335 108.800 0.141 0.000 2.667 95 G HA2 0.154 4.113 3.960 -0.000 0.000 0.250 95 G HA3 0.154 4.113 3.960 -0.000 0.000 0.250 95 G C -1.796 173.043 174.900 -0.101 0.000 1.212 95 G CA -0.750 44.380 45.100 0.050 0.000 0.874 95 G HN -0.013 nan 8.290 nan 0.000 0.561 96 P HA -0.088 nan 4.420 nan 0.000 0.216 96 P C 1.462 178.640 177.300 -0.203 0.000 1.150 96 P CA 1.365 64.078 63.100 -0.645 0.000 0.837 96 P CB 0.227 31.467 31.700 -0.768 0.000 0.786 97 E N -0.671 119.448 120.200 -0.135 0.000 2.150 97 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 97 E C 1.937 178.527 176.600 -0.018 0.000 0.985 97 E CA 0.696 57.060 56.400 -0.060 0.000 0.814 97 E CB -0.304 29.367 29.700 -0.047 0.000 0.752 97 E HN 0.263 nan 8.360 nan 0.000 0.466 98 E N 0.138 120.339 120.200 0.001 0.000 2.107 98 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 98 E C 2.123 178.758 176.600 0.057 0.000 0.982 98 E CA 0.542 56.962 56.400 0.032 0.000 0.809 98 E CB -0.260 29.468 29.700 0.047 0.000 0.756 98 E HN 0.281 nan 8.360 nan 0.000 0.459 99 C N 0.717 120.071 119.300 0.090 0.000 2.440 99 C HA 0.019 4.479 4.460 -0.000 0.000 0.278 99 C C 2.763 177.804 174.990 0.085 0.000 1.295 99 C CA 0.646 59.740 59.018 0.127 0.000 1.738 99 C CB -0.937 26.957 27.740 0.257 0.000 1.987 99 C HN 0.447 nan 8.230 nan 0.000 0.492 100 A N 0.741 123.592 122.820 0.052 0.000 1.972 100 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 100 A C 2.100 179.698 177.584 0.025 0.000 1.169 100 A CA 1.572 53.627 52.037 0.031 0.000 0.635 100 A CB -0.423 18.580 19.000 0.005 0.000 0.810 100 A HN 0.713 nan 8.150 nan 0.000 0.446 101 K N -0.406 120.009 120.400 0.024 0.000 2.211 101 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 101 K C 1.653 178.268 176.600 0.025 0.000 1.050 101 K CA 1.537 57.836 56.287 0.020 0.000 0.945 101 K CB -0.196 32.316 32.500 0.019 0.000 0.732 101 K HN 0.571 nan 8.250 nan 0.000 0.451 102 V N -2.831 117.103 119.914 0.035 0.000 3.565 102 V HA 0.146 4.266 4.120 -0.000 0.000 0.260 102 V C 0.189 176.302 176.094 0.032 0.000 1.231 102 V CA 0.085 62.407 62.300 0.035 0.000 1.100 102 V CB -0.226 31.624 31.823 0.045 0.000 0.807 102 V HN 0.256 nan 8.190 nan 0.000 0.454 103 N N 1.227 119.948 118.700 0.035 0.000 2.969 103 N HA 0.104 4.844 4.740 -0.000 0.000 0.230 103 N C -0.340 175.188 175.510 0.030 0.000 1.397 103 N CA 0.399 53.465 53.050 0.028 0.000 0.762 103 N CB 0.936 39.444 38.487 0.035 0.000 1.495 103 N HN 0.386 nan 8.380 nan 0.000 0.583 104 D N 1.867 122.278 120.400 0.017 0.000 2.336 104 D HA -0.002 4.638 4.640 -0.000 0.000 0.229 104 D C 0.851 177.157 176.300 0.011 0.000 1.061 104 D CA 0.181 54.191 54.000 0.016 0.000 0.875 104 D CB 0.165 40.969 40.800 0.007 0.000 0.904 104 D HN 0.471 nan 8.370 nan 0.000 0.525 105 R N -0.532 119.971 120.500 0.005 0.000 2.317 105 R HA 0.212 4.552 4.340 -0.000 0.000 0.208 105 R C 0.265 176.568 176.300 0.006 0.000 0.914 105 R CA -0.551 55.547 56.100 -0.005 0.000 1.060 105 R CB 0.182 30.468 30.300 -0.024 0.000 1.015 105 R HN 0.122 nan 8.270 nan 0.000 0.498 106 L N 2.065 123.305 121.223 0.029 0.000 2.410 106 L HA 0.107 4.447 4.340 -0.000 0.000 0.273 106 L C -0.332 176.582 176.870 0.073 0.000 1.152 106 L CA 0.205 55.074 54.840 0.048 0.000 0.855 106 L CB 0.493 42.604 42.059 0.086 0.000 1.129 106 L HN -0.061 nan 8.230 nan 0.000 0.463 107 I N 6.494 127.096 120.570 0.052 0.000 2.322 107 I HA 0.055 4.225 4.170 -0.000 0.000 0.292 107 I C -0.490 175.684 176.117 0.095 0.000 1.060 107 I CA -0.046 61.297 61.300 0.072 0.000 1.309 107 I CB -0.319 37.706 38.000 0.041 0.000 1.415 107 I HN 0.575 nan 8.210 nan 0.000 0.492 108 Y N 5.871 126.182 120.300 0.018 0.000 2.518 108 Y HA 0.567 5.117 4.550 -0.000 0.000 0.344 108 Y C 0.304 176.217 175.900 0.021 0.000 0.982 108 Y CA -0.662 57.451 58.100 0.021 0.000 1.234 108 Y CB 0.846 39.320 38.460 0.023 0.000 1.114 108 Y HN 0.666 nan 8.280 nan 0.000 0.515 109 A N 7.480 130.310 122.820 0.017 0.000 2.249 109 A HA 0.580 4.900 4.320 -0.000 0.000 0.314 109 A C -0.580 177.021 177.584 0.028 0.000 1.290 109 A CA -0.841 51.222 52.037 0.045 0.000 0.893 109 A CB 0.283 19.286 19.000 0.005 0.000 1.165 109 A HN 0.852 nan 8.150 nan 0.000 0.530 110 R N 2.535 123.094 120.500 0.099 0.000 2.288 110 R HA 0.392 4.732 4.340 -0.000 0.000 0.326 110 R C -0.984 175.334 176.300 0.029 0.000 0.959 110 R CA -0.599 55.553 56.100 0.086 0.000 0.834 110 R CB 1.442 31.838 30.300 0.159 0.000 1.157 110 R HN 0.679 nan 8.270 nan 0.000 0.470 111 M N 3.359 122.951 119.600 -0.013 0.000 2.055 111 M HA 0.179 4.659 4.480 -0.000 0.000 0.347 111 M C -0.597 175.660 176.300 -0.072 0.000 1.123 111 M CA -0.053 55.225 55.300 -0.037 0.000 1.035 111 M CB 0.963 33.541 32.600 -0.036 0.000 1.484 111 M HN 0.723 nan 8.290 nan 0.000 0.428 112 T N 0.663 115.151 114.554 -0.110 0.000 2.838 112 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 112 T C 0.620 175.081 174.700 -0.398 0.000 1.113 112 T CA -0.442 61.551 62.100 -0.179 0.000 1.008 112 T CB 1.279 70.092 68.868 -0.091 0.000 1.259 112 T HN 0.482 nan 8.240 nan 0.000 0.520 113 G N -1.024 107.357 108.800 -0.698 0.000 2.437 113 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 113 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 113 G C 0.724 174.962 174.900 -1.104 0.000 1.174 113 G CA -0.346 43.746 45.100 -1.680 0.000 0.811 113 G HN 0.809 nan 8.290 nan 0.000 0.537 114 W N 0.657 121.725 121.300 -0.387 0.000 3.077 114 W HA 0.450 5.110 4.660 -0.000 0.000 0.266 114 W C 1.349 177.799 176.519 -0.114 0.000 1.300 114 W CA 0.174 57.425 57.345 -0.157 0.000 1.586 114 W CB 0.582 30.027 29.460 -0.026 0.000 1.103 114 W HN 0.524 nan 8.180 nan 0.000 0.652 115 G N 0.431 109.269 108.800 0.063 0.000 2.655 115 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.680 115 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.680 115 G C 0.252 175.188 174.900 0.060 0.000 1.302 115 G CA -0.423 44.701 45.100 0.040 0.000 0.872 115 G HN -0.033 nan 8.290 nan 0.000 0.540 116 Q N -0.461 119.363 119.800 0.041 0.000 2.297 116 Q HA 0.096 4.436 4.340 -0.000 0.000 0.204 116 Q C 1.765 177.787 176.000 0.038 0.000 0.962 116 Q CA 2.070 57.899 55.803 0.042 0.000 0.879 116 Q CB -0.066 28.690 28.738 0.031 0.000 0.947 116 Q HN 1.214 nan 8.270 nan 0.000 0.462 117 T N -4.028 110.546 114.554 0.032 0.000 2.838 117 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 117 T C 0.110 174.819 174.700 0.015 0.000 1.113 117 T CA -0.346 61.765 62.100 0.019 0.000 1.008 117 T CB 2.426 71.298 68.868 0.007 0.000 1.259 117 T HN 0.304 nan 8.240 nan 0.000 0.520 118 G N 0.983 109.780 108.800 -0.005 0.000 2.570 118 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 118 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 118 G C -2.290 172.579 174.900 -0.052 0.000 1.257 118 G CA -0.292 44.792 45.100 -0.026 0.000 0.846 118 G HN 0.693 nan 8.290 nan 0.000 0.627 119 P HA -0.067 nan 4.420 nan 0.000 0.219 119 P C 1.374 178.581 177.300 -0.156 0.000 1.146 119 P CA 1.112 64.150 63.100 -0.104 0.000 0.808 119 P CB 0.064 31.695 31.700 -0.114 0.000 0.779 120 R N -0.265 120.084 120.500 -0.251 0.000 2.334 120 R HA 0.123 4.462 4.340 -0.000 0.000 0.216 120 R C 2.190 178.384 176.300 -0.177 0.000 0.905 120 R CA 0.468 56.316 56.100 -0.420 0.000 1.064 120 R CB -0.264 29.373 30.300 -1.105 0.000 1.046 120 R HN 0.262 nan 8.270 nan 0.000 0.508 121 S N 0.559 116.246 115.700 -0.021 0.000 2.419 121 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 121 S C 1.600 176.277 174.600 0.128 0.000 1.016 121 S CA 0.843 59.105 58.200 0.103 0.000 0.974 121 S CB 0.076 63.314 63.200 0.064 0.000 0.786 121 S HN 0.208 nan 8.310 nan 0.000 0.492 122 Q N 0.700 120.547 119.800 0.079 0.000 2.319 122 Q HA 0.288 4.628 4.340 -0.000 0.000 0.202 122 Q C 0.342 176.407 176.000 0.109 0.000 0.896 122 Q CA 0.068 55.922 55.803 0.085 0.000 0.942 122 Q CB 0.174 28.939 28.738 0.046 0.000 1.083 122 Q HN 0.783 nan 8.270 nan 0.000 0.510 123 Q N 0.317 120.205 119.800 0.146 0.000 2.243 123 Q HA 0.496 4.836 4.340 -0.000 0.000 0.252 123 Q C -0.727 175.456 176.000 0.305 0.000 0.909 123 Q CA -0.320 55.585 55.803 0.169 0.000 0.922 123 Q CB 1.194 29.972 28.738 0.067 0.000 1.215 123 Q HN 0.177 nan 8.270 nan 0.000 0.427 124 A N 2.424 125.366 122.820 0.204 0.000 2.406 124 A HA 0.651 4.971 4.320 -0.000 0.000 0.243 124 A C 0.273 177.980 177.584 0.205 0.000 1.082 124 A CA 0.650 52.782 52.037 0.158 0.000 0.786 124 A CB 0.310 19.362 19.000 0.087 0.000 1.029 124 A HN 0.887 nan 8.150 nan 0.000 0.495 125 G N -0.276 108.529 108.800 0.009 0.000 2.466 125 G HA2 0.549 4.508 3.960 -0.000 0.000 0.291 125 G HA3 0.549 4.508 3.960 -0.000 0.000 0.291 125 G C -1.330 173.260 174.900 -0.517 0.000 1.460 125 G CA -0.686 44.326 45.100 -0.147 0.000 0.791 125 G HN 0.857 nan 8.290 nan 0.000 0.505 126 H N -0.815 117.961 119.070 -0.490 0.000 2.906 126 H HA 0.365 4.921 4.556 -0.000 0.000 0.337 126 H C 0.669 175.526 175.328 -0.785 0.000 1.257 126 H CA -0.241 55.555 56.048 -0.420 0.000 1.192 126 H CB 2.400 32.040 29.762 -0.203 0.000 1.912 126 H HN 0.639 nan 8.280 nan 0.000 0.573 127 D N 0.826 121.104 120.400 -0.203 0.000 2.154 127 D HA -0.184 4.456 4.640 -0.000 0.000 0.190 127 D C 1.872 178.024 176.300 -0.247 0.000 1.003 127 D CA 1.483 55.388 54.000 -0.158 0.000 0.849 127 D CB 0.058 40.802 40.800 -0.093 0.000 0.942 127 D HN 0.512 nan 8.370 nan 0.000 0.446 128 I N 0.288 120.742 120.570 -0.193 0.000 2.264 128 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 128 I C 1.689 177.716 176.117 -0.149 0.000 1.111 128 I CA 1.407 62.632 61.300 -0.125 0.000 1.382 128 I CB -0.152 37.803 38.000 -0.076 0.000 1.060 128 I HN 0.061 nan 8.210 nan 0.000 0.418 129 N N -0.455 118.061 118.700 -0.307 0.000 2.142 129 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 129 N C 1.626 177.029 175.510 -0.178 0.000 1.023 129 N CA 1.543 54.460 53.050 -0.222 0.000 0.852 129 N CB -0.299 38.027 38.487 -0.268 0.000 0.998 129 N HN 0.308 nan 8.380 nan 0.000 0.424 130 Y N 1.376 121.524 120.300 -0.253 0.000 2.181 130 Y HA -0.067 4.483 4.550 -0.000 0.000 0.288 130 Y C 2.143 178.020 175.900 -0.038 0.000 1.146 130 Y CA 0.458 58.352 58.100 -0.343 0.000 1.164 130 Y CB -1.008 37.152 38.460 -0.499 0.000 0.982 130 Y HN 0.166 nan 8.280 nan 0.000 0.515 131 I N -3.019 117.596 120.570 0.075 0.000 2.928 131 I HA -0.044 4.126 4.170 -0.000 0.000 0.266 131 I C 1.830 178.014 176.117 0.111 0.000 1.234 131 I CA 1.055 62.410 61.300 0.092 0.000 1.483 131 I CB -0.500 37.534 38.000 0.056 0.000 1.097 131 I HN -0.065 nan 8.210 nan 0.000 0.455 132 S N 1.594 117.358 115.700 0.107 0.000 2.383 132 S HA 0.043 4.513 4.470 -0.000 0.000 0.227 132 S C 1.923 176.625 174.600 0.170 0.000 1.026 132 S CA 1.044 59.321 58.200 0.129 0.000 0.981 132 S CB -0.290 62.977 63.200 0.112 0.000 0.818 132 S HN 0.458 nan 8.310 nan 0.000 0.472 133 L N 2.165 123.528 121.223 0.233 0.000 2.418 133 L HA 0.067 4.407 4.340 -0.000 0.000 0.218 133 L C 1.315 178.312 176.870 0.211 0.000 1.125 133 L CA 0.993 55.976 54.840 0.239 0.000 0.835 133 L CB -0.443 41.836 42.059 0.367 0.000 0.953 133 L HN 0.586 nan 8.230 nan 0.000 0.454 134 N N -2.211 116.621 118.700 0.219 0.000 2.200 134 N HA 0.100 4.840 4.740 -0.000 0.000 0.224 134 N C 1.139 176.821 175.510 0.287 0.000 1.179 134 N CA 0.608 53.804 53.050 0.244 0.000 0.877 134 N CB 1.112 39.732 38.487 0.221 0.000 1.072 134 N HN 0.096 nan 8.380 nan 0.000 0.519 135 G N 1.415 110.331 108.800 0.193 0.000 2.217 135 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.246 135 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.246 135 G C 0.726 175.680 174.900 0.090 0.000 0.990 135 G CA 0.347 45.517 45.100 0.117 0.000 0.627 135 G HN 0.313 nan 8.290 nan 0.000 0.522 136 I N 0.060 120.694 120.570 0.106 0.000 2.163 136 I HA -0.050 4.120 4.170 -0.000 0.000 0.240 136 I C 2.607 178.777 176.117 0.088 0.000 1.081 136 I CA 1.532 62.875 61.300 0.072 0.000 1.353 136 I CB -0.325 37.719 38.000 0.072 0.000 1.054 136 I HN 0.278 nan 8.210 nan 0.000 0.407 137 L N 0.453 121.734 121.223 0.097 0.000 2.046 137 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 137 L C 2.657 179.584 176.870 0.094 0.000 1.077 137 L CA 1.978 56.865 54.840 0.079 0.000 0.747 137 L CB -1.085 41.014 42.059 0.066 0.000 0.896 137 L HN 0.314 nan 8.230 nan 0.000 0.432 138 H N -0.346 118.747 119.070 0.038 0.000 2.460 138 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 138 H C 1.639 176.990 175.328 0.039 0.000 1.103 138 H CA 1.432 57.500 56.048 0.034 0.000 1.292 138 H CB 0.299 30.082 29.762 0.036 0.000 1.376 138 H HN 0.492 nan 8.280 nan 0.000 0.531 139 A N 0.262 123.187 122.820 0.176 0.000 2.275 139 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 139 A C 0.907 178.560 177.584 0.114 0.000 1.201 139 A CA -0.231 51.914 52.037 0.181 0.000 0.843 139 A CB 0.127 19.260 19.000 0.221 0.000 0.873 139 A HN 0.221 nan 8.150 nan 0.000 0.492 140 I N 0.132 120.735 120.570 0.055 0.000 2.339 140 I HA 0.585 4.755 4.170 -0.000 0.000 0.290 140 I C 0.649 176.761 176.117 -0.008 0.000 0.994 140 I CA 0.160 61.481 61.300 0.034 0.000 1.191 140 I CB 1.451 39.471 38.000 0.034 0.000 1.343 140 I HN 0.338 nan 8.210 nan 0.000 0.458 141 G N 5.072 113.863 108.800 -0.014 0.000 2.371 141 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.663 141 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.663 141 G C -1.085 173.783 174.900 -0.053 0.000 1.311 141 G CA -1.152 43.923 45.100 -0.042 0.000 0.985 141 G HN 0.396 nan 8.290 nan 0.000 0.566 142 R N -0.001 120.460 120.500 -0.064 0.000 2.594 142 R HA 0.433 4.773 4.340 -0.000 0.000 0.272 142 R C 1.829 178.089 176.300 -0.066 0.000 1.074 142 R CA 0.227 56.286 56.100 -0.068 0.000 1.105 142 R CB 0.530 30.788 30.300 -0.070 0.000 1.008 142 R HN 1.085 nan 8.270 nan 0.000 0.472 143 G N 1.192 109.955 108.800 -0.062 0.000 2.443 143 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 143 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 143 G C 0.512 175.381 174.900 -0.052 0.000 1.131 143 G CA 0.596 45.661 45.100 -0.058 0.000 0.775 143 G HN 0.653 nan 8.290 nan 0.000 0.547 144 D N 0.014 120.386 120.400 -0.045 0.000 2.358 144 D HA 0.137 4.777 4.640 -0.000 0.000 0.224 144 D C 0.405 176.682 176.300 -0.038 0.000 1.123 144 D CA -0.091 53.887 54.000 -0.036 0.000 0.833 144 D CB 0.065 40.848 40.800 -0.028 0.000 0.946 144 D HN 0.432 nan 8.370 nan 0.000 0.505 145 E N -0.089 120.082 120.200 -0.049 0.000 2.446 145 E HA 0.349 4.699 4.350 -0.000 0.000 0.276 145 E C -0.333 176.231 176.600 -0.060 0.000 0.969 145 E CA -1.262 55.109 56.400 -0.047 0.000 0.800 145 E CB 1.814 31.487 29.700 -0.045 0.000 1.341 145 E HN 0.069 nan 8.360 nan 0.000 0.460 146 R N 0.269 120.738 120.500 -0.052 0.000 2.738 146 R HA 0.297 4.637 4.340 -0.000 0.000 0.268 146 R C -2.354 173.905 176.300 -0.067 0.000 1.062 146 R CA -1.283 54.781 56.100 -0.060 0.000 1.158 146 R CB -0.640 29.636 30.300 -0.039 0.000 1.046 146 R HN 0.101 nan 8.270 nan 0.000 0.493 147 P HA -0.056 nan 4.420 nan 0.000 0.268 147 P C -0.872 176.404 177.300 -0.040 0.000 1.208 147 P CA -0.302 62.756 63.100 -0.070 0.000 0.777 147 P CB 0.735 32.394 31.700 -0.067 0.000 0.875 148 V N 3.947 123.842 119.914 -0.032 0.000 2.555 148 V HA 0.499 4.619 4.120 -0.000 0.000 0.302 148 V C -2.435 173.652 176.094 -0.012 0.000 1.038 148 V CA -2.796 59.490 62.300 -0.023 0.000 0.887 148 V CB 1.840 33.645 31.823 -0.030 0.000 0.991 148 V HN 0.451 nan 8.190 nan 0.000 0.434 149 P HA 0.285 nan 4.420 nan 0.000 0.271 149 P C -2.640 174.664 177.300 0.006 0.000 1.226 149 P CA -1.549 61.550 63.100 -0.002 0.000 0.765 149 P CB 0.105 31.799 31.700 -0.010 0.000 0.835 150 P HA 0.117 nan 4.420 nan 0.000 0.220 150 P C 0.466 177.794 177.300 0.045 0.000 1.806 150 P CA -0.054 63.064 63.100 0.029 0.000 0.976 150 P CB -0.341 31.381 31.700 0.036 0.000 1.952 151 L N -0.661 120.588 121.223 0.043 0.000 7.036 151 L HA -0.322 4.018 4.340 -0.000 0.000 0.055 151 L C 1.125 178.014 176.870 0.032 0.000 1.497 151 L CA 1.561 56.435 54.840 0.056 0.000 1.662 151 L CB -1.385 40.738 42.059 0.107 0.000 2.723 151 L HN 0.362 nan 8.230 nan 0.000 1.084 152 N N 0.263 118.986 118.700 0.039 0.000 2.380 152 N HA 0.227 4.967 4.740 -0.000 0.000 0.255 152 N C 0.729 176.215 175.510 -0.041 0.000 1.158 152 N CA -0.039 52.980 53.050 -0.052 0.000 0.878 152 N CB 0.142 38.544 38.487 -0.142 0.000 1.138 152 N HN 0.631 nan 8.380 nan 0.000 0.509 153 L N -0.574 120.710 121.223 0.101 0.000 2.217 153 L HA 0.018 4.357 4.340 -0.000 0.000 0.211 153 L C 1.728 178.676 176.870 0.130 0.000 1.107 153 L CA 0.648 55.608 54.840 0.200 0.000 0.783 153 L CB 0.107 42.270 42.059 0.174 0.000 0.919 153 L HN 0.049 nan 8.230 nan 0.000 0.442 154 V N -1.102 118.848 119.914 0.059 0.000 2.672 154 V HA 0.088 4.208 4.120 -0.000 0.000 0.242 154 V C 2.297 178.410 176.094 0.031 0.000 1.059 154 V CA 1.430 63.767 62.300 0.062 0.000 1.081 154 V CB -0.254 31.601 31.823 0.053 0.000 0.752 154 V HN 0.442 nan 8.190 nan 0.000 0.472 155 G N -0.441 108.349 108.800 -0.017 0.000 2.471 155 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.211 155 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.211 155 G C 1.164 175.998 174.900 -0.110 0.000 1.194 155 G CA 0.691 45.776 45.100 -0.025 0.000 0.816 155 G HN 0.415 nan 8.290 nan 0.000 0.545 156 D N 0.101 120.334 120.400 -0.278 0.000 2.117 156 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 156 D C 2.025 178.023 176.300 -0.504 0.000 0.987 156 D CA 0.943 54.613 54.000 -0.550 0.000 0.829 156 D CB -0.070 40.064 40.800 -1.111 0.000 0.961 156 D HN 0.315 nan 8.370 nan 0.000 0.460 157 F N -0.197 119.751 119.950 -0.003 0.000 2.485 157 F HA 0.288 4.815 4.527 -0.000 0.000 0.274 157 F C 2.580 178.439 175.800 0.098 0.000 0.963 157 F CA 0.417 58.406 58.000 -0.018 0.000 1.169 157 F CB -1.185 37.699 39.000 -0.194 0.000 1.145 157 F HN -0.091 nan 8.300 nan 0.000 0.682 158 G N -0.205 108.760 108.800 0.276 0.000 2.476 158 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 158 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 158 G C 1.741 176.848 174.900 0.344 0.000 1.164 158 G CA 1.061 46.314 45.100 0.255 0.000 0.768 158 G HN 0.552 nan 8.290 nan 0.000 0.560 159 G N -0.644 108.303 108.800 0.244 0.000 3.233 159 G HA2 0.473 4.433 3.960 -0.000 0.000 0.234 159 G HA3 0.473 4.433 3.960 -0.000 0.000 0.234 159 G C 0.821 175.788 174.900 0.112 0.000 1.137 159 G CA 1.005 46.207 45.100 0.170 0.000 0.763 159 G HN 0.687 nan 8.290 nan 0.000 0.549 160 G N 0.682 109.597 108.800 0.192 0.000 2.542 160 G HA2 0.192 4.152 3.960 -0.000 0.000 0.208 160 G HA3 0.192 4.152 3.960 -0.000 0.000 0.208 160 G C 1.886 176.903 174.900 0.196 0.000 1.976 160 G CA 1.102 46.262 45.100 0.100 0.000 0.722 160 G HN 0.406 nan 8.290 nan 0.000 0.798 161 S N 0.546 116.389 115.700 0.237 0.000 2.387 161 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 161 S C 2.378 177.124 174.600 0.244 0.000 1.035 161 S CA 1.959 60.330 58.200 0.285 0.000 1.014 161 S CB -0.373 63.136 63.200 0.514 0.000 0.836 161 S HN 0.145 nan 8.310 nan 0.000 0.466 162 M N 0.452 120.212 119.600 0.266 0.000 2.159 162 M HA 0.130 4.610 4.480 -0.000 0.000 0.263 162 M C 1.866 178.169 176.300 0.005 0.000 1.063 162 M CA 1.095 56.468 55.300 0.121 0.000 1.110 162 M CB -1.624 31.028 32.600 0.088 0.000 1.374 162 M HN 0.329 nan 8.290 nan 0.000 0.411 163 F N -0.010 119.978 119.950 0.062 0.000 2.293 163 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 163 F C 2.226 178.046 175.800 0.033 0.000 1.089 163 F CA 0.576 58.599 58.000 0.038 0.000 1.377 163 F CB -0.763 38.251 39.000 0.022 0.000 1.051 163 F HN 0.029 nan 8.300 nan 0.000 0.511 164 L N -0.014 121.329 121.223 0.200 0.000 2.042 164 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 164 L C 2.078 178.992 176.870 0.073 0.000 1.076 164 L CA 1.762 56.672 54.840 0.117 0.000 0.749 164 L CB -0.670 41.446 42.059 0.094 0.000 0.893 164 L HN 0.112 nan 8.230 nan 0.000 0.432 165 L N -2.116 119.140 121.223 0.055 0.000 2.027 165 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 165 L C 2.414 179.283 176.870 -0.001 0.000 1.074 165 L CA 1.012 55.863 54.840 0.019 0.000 0.745 165 L CB -0.607 41.456 42.059 0.006 0.000 0.898 165 L HN 0.078 nan 8.230 nan 0.000 0.433 166 V N 0.184 120.075 119.914 -0.038 0.000 2.332 166 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 166 V C 2.578 178.674 176.094 0.004 0.000 1.055 166 V CA 2.086 64.351 62.300 -0.058 0.000 1.038 166 V CB -1.243 30.475 31.823 -0.175 0.000 0.651 166 V HN 0.592 nan 8.190 nan 0.000 0.450 167 G N -0.366 108.461 108.800 0.044 0.000 2.404 167 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 167 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 167 G C 1.587 176.522 174.900 0.059 0.000 1.174 167 G CA 0.972 46.112 45.100 0.068 0.000 0.780 167 G HN 0.468 nan 8.290 nan 0.000 0.537 168 I N 0.459 121.058 120.570 0.049 0.000 2.118 168 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 168 I C 2.713 178.856 176.117 0.044 0.000 1.070 168 I CA 1.050 62.374 61.300 0.041 0.000 1.327 168 I CB -0.204 37.811 38.000 0.026 0.000 1.034 168 I HN 0.125 nan 8.210 nan 0.000 0.405 169 L N 0.080 121.326 121.223 0.037 0.000 2.156 169 L HA -0.114 4.225 4.340 -0.000 0.000 0.208 169 L C 2.758 179.678 176.870 0.084 0.000 1.095 169 L CA 0.993 55.862 54.840 0.048 0.000 0.770 169 L CB -0.719 41.357 42.059 0.028 0.000 0.914 169 L HN 0.223 nan 8.230 nan 0.000 0.439 170 A N 0.275 123.137 122.820 0.070 0.000 1.930 170 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 170 A C 2.533 180.213 177.584 0.160 0.000 1.175 170 A CA 1.596 53.694 52.037 0.102 0.000 0.627 170 A CB -0.581 18.453 19.000 0.056 0.000 0.815 170 A HN 0.371 nan 8.150 nan 0.000 0.443 171 A N -0.417 122.469 122.820 0.111 0.000 1.969 171 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 171 A C 2.103 179.741 177.584 0.090 0.000 1.169 171 A CA 1.270 53.366 52.037 0.098 0.000 0.635 171 A CB -0.498 18.546 19.000 0.073 0.000 0.810 171 A HN 0.461 nan 8.150 nan 0.000 0.445 172 L N -1.399 119.878 121.223 0.091 0.000 2.093 172 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 172 L C 2.593 179.521 176.870 0.098 0.000 1.085 172 L CA 1.240 56.120 54.840 0.068 0.000 0.755 172 L CB -0.465 41.626 42.059 0.052 0.000 0.904 172 L HN 0.820 nan 8.230 nan 0.000 0.435 173 W N 1.447 122.742 121.300 -0.010 0.000 2.358 173 W HA -0.218 4.442 4.660 -0.000 0.000 0.303 173 W C 2.209 178.725 176.519 -0.006 0.000 1.208 173 W CA 1.740 59.080 57.345 -0.008 0.000 1.274 173 W CB -0.141 29.317 29.460 -0.004 0.000 1.138 173 W HN 0.245 nan 8.180 nan 0.000 0.515 174 E N 1.196 121.462 120.200 0.110 0.000 2.077 174 E HA -0.273 4.076 4.350 -0.000 0.000 0.193 174 E C 2.268 178.807 176.600 -0.102 0.000 0.989 174 E CA 1.371 57.772 56.400 0.002 0.000 0.800 174 E CB -0.538 29.220 29.700 0.097 0.000 0.746 174 E HN 0.305 nan 8.360 nan 0.000 0.452 175 R N 0.098 120.560 120.500 -0.064 0.000 2.193 175 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 175 R C 2.222 178.445 176.300 -0.129 0.000 1.110 175 R CA 1.091 57.146 56.100 -0.075 0.000 0.988 175 R CB 0.046 30.321 30.300 -0.040 0.000 0.871 175 R HN 0.024 nan 8.270 nan 0.000 0.458 176 Q N 0.000 119.674 119.800 -0.211 0.000 2.124 176 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 176 Q C 1.975 177.832 176.000 -0.237 0.000 0.977 176 Q CA 2.232 57.884 55.803 -0.253 0.000 0.850 176 Q CB -0.023 28.468 28.738 -0.411 0.000 0.901 176 Q HN 0.484 nan 8.270 nan 0.000 0.429 177 S N -1.781 113.764 115.700 -0.257 0.000 2.475 177 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 177 S C 1.957 176.488 174.600 -0.114 0.000 1.042 177 S CA 0.702 58.790 58.200 -0.186 0.000 0.935 177 S CB -0.181 62.901 63.200 -0.197 0.000 0.801 177 S HN 0.326 nan 8.310 nan 0.000 0.509 178 S N 0.809 116.451 115.700 -0.098 0.000 2.458 178 S HA 0.401 4.871 4.470 -0.000 0.000 0.223 178 S C 1.866 176.434 174.600 -0.052 0.000 1.019 178 S CA 0.835 58.999 58.200 -0.060 0.000 0.937 178 S CB -0.738 62.437 63.200 -0.040 0.000 0.788 178 S HN 1.526 nan 8.310 nan 0.000 0.511 179 G N 1.033 109.796 108.800 -0.062 0.000 2.184 179 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.264 179 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.264 179 G C -0.054 174.824 174.900 -0.036 0.000 0.975 179 G CA 0.589 45.659 45.100 -0.051 0.000 0.642 179 G HN 0.643 nan 8.290 nan 0.000 0.536 180 K N -0.071 120.312 120.400 -0.029 0.000 2.328 180 K HA 0.622 4.942 4.320 -0.000 0.000 0.246 180 K C 0.828 177.425 176.600 -0.004 0.000 0.955 180 K CA -0.411 55.867 56.287 -0.014 0.000 0.817 180 K CB 2.014 34.509 32.500 -0.009 0.000 1.208 180 K HN 0.213 nan 8.250 nan 0.000 0.432 181 G N 0.477 109.282 108.800 0.009 0.000 2.509 181 G HA2 0.439 4.399 3.960 -0.000 0.000 0.269 181 G HA3 0.439 4.399 3.960 -0.000 0.000 0.269 181 G C -0.709 174.211 174.900 0.034 0.000 1.416 181 G CA -0.029 45.087 45.100 0.026 0.000 1.052 181 G HN 0.686 nan 8.290 nan 0.000 0.542 182 Q N -3.362 116.470 119.800 0.053 0.000 2.975 182 Q HA 0.432 4.772 4.340 -0.000 0.000 0.324 182 Q C -1.975 174.074 176.000 0.080 0.000 0.830 182 Q CA -0.923 54.910 55.803 0.049 0.000 0.818 182 Q CB 1.115 29.876 28.738 0.038 0.000 1.440 182 Q HN 0.444 nan 8.270 nan 0.000 0.475 183 V N 1.157 121.107 119.914 0.060 0.000 2.427 183 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 183 V C -0.395 175.752 176.094 0.088 0.000 1.034 183 V CA -0.680 61.675 62.300 0.092 0.000 0.893 183 V CB 1.468 33.300 31.823 0.015 0.000 0.982 183 V HN 0.521 nan 8.190 nan 0.000 0.452 184 V N 3.707 123.691 119.914 0.116 0.000 2.350 184 V HA 0.322 4.442 4.120 -0.000 0.000 0.276 184 V C -0.269 175.879 176.094 0.089 0.000 1.028 184 V CA -0.381 61.974 62.300 0.092 0.000 0.860 184 V CB 1.604 33.480 31.823 0.088 0.000 0.990 184 V HN 0.968 nan 8.190 nan 0.000 0.453 185 D N 4.970 125.408 120.400 0.065 0.000 2.473 185 D HA 0.490 5.130 4.640 -0.000 0.000 0.226 185 D C 0.000 176.320 176.300 0.034 0.000 1.089 185 D CA -0.261 53.768 54.000 0.048 0.000 0.883 185 D CB 1.341 42.161 40.800 0.034 0.000 1.029 185 D HN 0.639 nan 8.370 nan 0.000 0.517 186 A N 3.164 126.002 122.820 0.030 0.000 2.341 186 A HA 0.684 5.004 4.320 -0.000 0.000 0.326 186 A C -0.016 177.540 177.584 -0.048 0.000 1.402 186 A CA -0.594 51.454 52.037 0.018 0.000 0.957 186 A CB 0.467 19.505 19.000 0.063 0.000 1.151 186 A HN 0.630 nan 8.150 nan 0.000 0.533 187 A N 3.178 125.945 122.820 -0.089 0.000 2.276 187 A HA 0.575 4.895 4.320 -0.000 0.000 0.316 187 A C 0.967 178.412 177.584 -0.231 0.000 1.229 187 A CA -0.605 51.335 52.037 -0.163 0.000 0.851 187 A CB 0.244 19.182 19.000 -0.104 0.000 1.165 187 A HN 0.875 nan 8.150 nan 0.000 0.513 188 M N 2.459 121.849 119.600 -0.351 0.000 2.202 188 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 188 M C 1.916 178.067 176.300 -0.250 0.000 1.063 188 M CA 1.396 56.502 55.300 -0.323 0.000 1.097 188 M CB -0.311 32.025 32.600 -0.440 0.000 1.382 188 M HN 0.640 nan 8.290 nan 0.000 0.413 189 V N 0.672 120.436 119.914 -0.250 0.000 2.490 189 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 189 V C 1.548 177.600 176.094 -0.070 0.000 1.061 189 V CA 2.123 64.392 62.300 -0.052 0.000 1.064 189 V CB -0.358 31.550 31.823 0.141 0.000 0.670 189 V HN 0.417 nan 8.190 nan 0.000 0.461 190 D N -0.075 120.239 120.400 -0.144 0.000 2.144 190 D HA 0.024 4.664 4.640 -0.000 0.000 0.207 190 D C 2.094 178.174 176.300 -0.366 0.000 0.970 190 D CA 1.438 55.324 54.000 -0.190 0.000 0.853 190 D CB -0.805 39.892 40.800 -0.172 0.000 1.007 190 D HN 0.486 nan 8.370 nan 0.000 0.469 191 G N 0.914 109.391 108.800 -0.539 0.000 2.440 191 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 191 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 191 G C 1.728 176.146 174.900 -0.804 0.000 1.154 191 G CA 1.780 46.138 45.100 -1.237 0.000 0.767 191 G HN 0.401 nan 8.290 nan 0.000 0.552 192 S N 0.464 115.970 115.700 -0.322 0.000 2.419 192 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 192 S C 2.394 176.971 174.600 -0.037 0.000 1.016 192 S CA 1.690 59.829 58.200 -0.101 0.000 0.974 192 S CB -0.306 62.883 63.200 -0.018 0.000 0.786 192 S HN 0.232 nan 8.310 nan 0.000 0.492 193 S N 1.412 117.074 115.700 -0.064 0.000 2.368 193 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 193 S C 1.931 176.547 174.600 0.027 0.000 1.029 193 S CA 1.126 59.353 58.200 0.045 0.000 0.988 193 S CB -0.507 62.670 63.200 -0.039 0.000 0.838 193 S HN 0.443 nan 8.310 nan 0.000 0.462 194 V N 1.759 121.610 119.914 -0.105 0.000 2.427 194 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 194 V C 2.201 178.382 176.094 0.146 0.000 1.051 194 V CA 1.173 63.476 62.300 0.004 0.000 1.048 194 V CB -0.621 31.195 31.823 -0.012 0.000 0.666 194 V HN 0.328 nan 8.190 nan 0.000 0.456 195 L N -0.399 120.909 121.223 0.140 0.000 2.079 195 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 195 L C 1.837 178.781 176.870 0.124 0.000 1.081 195 L CA 1.868 56.838 54.840 0.217 0.000 0.752 195 L CB -0.270 41.918 42.059 0.216 0.000 0.896 195 L HN 0.293 nan 8.230 nan 0.000 0.433 196 I N -0.809 119.826 120.570 0.109 0.000 3.858 196 I HA -0.028 4.142 4.170 -0.000 0.000 0.325 196 I C 1.760 177.951 176.117 0.123 0.000 1.403 196 I CA 0.013 61.347 61.300 0.057 0.000 1.169 196 I CB -0.215 37.791 38.000 0.010 0.000 1.077 196 I HN 0.390 nan 8.210 nan 0.000 0.403 197 Q N 0.955 120.855 119.800 0.166 0.000 2.181 197 Q HA -0.256 4.084 4.340 -0.000 0.000 0.205 197 Q C 1.988 178.060 176.000 0.119 0.000 0.980 197 Q CA 1.788 57.717 55.803 0.210 0.000 0.862 197 Q CB -0.098 28.717 28.738 0.128 0.000 0.905 197 Q HN 0.644 nan 8.270 nan 0.000 0.429 198 M N -0.520 119.088 119.600 0.013 0.000 2.106 198 M HA -0.244 4.236 4.480 -0.000 0.000 0.259 198 M C 1.775 177.983 176.300 -0.154 0.000 1.068 198 M CA 1.576 56.842 55.300 -0.056 0.000 1.100 198 M CB 0.050 32.592 32.600 -0.096 0.000 1.351 198 M HN 0.198 nan 8.290 nan 0.000 0.404 199 M N -1.156 118.251 119.600 -0.321 0.000 2.200 199 M HA -0.111 4.369 4.480 -0.000 0.000 0.265 199 M C 1.416 177.494 176.300 -0.370 0.000 1.066 199 M CA 1.890 56.827 55.300 -0.605 0.000 1.127 199 M CB -0.726 31.276 32.600 -0.997 0.000 1.379 199 M HN 0.370 nan 8.290 nan 0.000 0.420 200 W N -0.196 121.026 121.300 -0.131 0.000 2.363 200 W HA -0.101 4.559 4.660 -0.000 0.000 0.296 200 W C 2.539 179.043 176.519 -0.025 0.000 1.212 200 W CA 1.243 58.556 57.345 -0.052 0.000 1.260 200 W CB -0.702 28.734 29.460 -0.039 0.000 1.131 200 W HN 0.224 nan 8.180 nan 0.000 0.530 201 A N -0.017 122.906 122.820 0.172 0.000 1.877 201 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 201 A C 1.948 179.581 177.584 0.082 0.000 1.186 201 A CA 1.925 54.027 52.037 0.107 0.000 0.620 201 A CB -0.843 18.198 19.000 0.069 0.000 0.822 201 A HN 0.260 nan 8.150 nan 0.000 0.443 202 M N -1.615 118.015 119.600 0.051 0.000 2.229 202 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 202 M C 2.368 178.747 176.300 0.131 0.000 1.063 202 M CA 1.499 56.854 55.300 0.090 0.000 1.114 202 M CB -0.278 32.388 32.600 0.110 0.000 1.387 202 M HN 0.463 nan 8.290 nan 0.000 0.420 203 R N 0.568 121.137 120.500 0.115 0.000 2.096 203 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 203 R C 2.052 178.419 176.300 0.112 0.000 1.127 203 R CA 1.569 57.745 56.100 0.126 0.000 0.968 203 R CB -0.166 30.175 30.300 0.068 0.000 0.861 203 R HN 0.357 nan 8.270 nan 0.000 0.440 204 A N -0.347 122.543 122.820 0.116 0.000 2.066 204 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 204 A C 1.666 179.294 177.584 0.073 0.000 1.157 204 A CA 1.550 53.646 52.037 0.099 0.000 0.670 204 A CB -0.178 18.884 19.000 0.103 0.000 0.804 204 A HN 0.529 nan 8.150 nan 0.000 0.453 205 T N -5.443 109.155 114.554 0.073 0.000 3.174 205 T HA 0.455 4.805 4.350 -0.000 0.000 0.269 205 T C 1.125 175.857 174.700 0.053 0.000 1.017 205 T CA 0.889 63.022 62.100 0.056 0.000 0.899 205 T CB 0.152 69.052 68.868 0.053 0.000 1.077 205 T HN 1.578 nan 8.240 nan 0.000 0.552 206 G N 1.919 110.755 108.800 0.060 0.000 2.162 206 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 206 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 206 G C 0.634 175.567 174.900 0.055 0.000 0.976 206 G CA 0.451 45.579 45.100 0.045 0.000 0.655 206 G HN 0.552 nan 8.290 nan 0.000 0.533 207 M N -1.041 118.618 119.600 0.098 0.000 2.495 207 M HA 0.327 4.807 4.480 -0.000 0.000 0.237 207 M C 0.570 177.014 176.300 0.241 0.000 1.131 207 M CA 0.309 55.689 55.300 0.133 0.000 1.032 207 M CB 0.383 33.062 32.600 0.131 0.000 1.513 207 M HN 0.367 nan 8.290 nan 0.000 0.488 208 W N 0.579 121.864 121.300 -0.024 0.000 3.372 208 W HA 0.329 4.989 4.660 -0.000 0.000 0.315 208 W C -1.276 175.215 176.519 -0.047 0.000 1.223 208 W CA -0.586 56.734 57.345 -0.041 0.000 1.202 208 W CB 1.672 31.089 29.460 -0.071 0.000 1.367 208 W HN -0.074 nan 8.180 nan 0.000 0.531 209 T N -0.057 114.284 114.554 -0.355 0.000 2.930 209 T HA 0.290 4.640 4.350 -0.000 0.000 0.290 209 T C 0.047 174.672 174.700 -0.125 0.000 1.052 209 T CA -0.440 61.560 62.100 -0.167 0.000 1.017 209 T CB 2.073 70.831 68.868 -0.183 0.000 1.137 209 T HN 0.233 nan 8.240 nan 0.000 0.511 210 D N 0.862 121.247 120.400 -0.024 0.000 2.363 210 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 210 D C 0.325 176.662 176.300 0.063 0.000 1.020 210 D CA 0.515 54.531 54.000 0.025 0.000 0.892 210 D CB -0.199 40.587 40.800 -0.024 0.000 0.900 210 D HN 0.574 nan 8.370 nan 0.000 0.531 211 T N 1.244 115.784 114.554 -0.024 0.000 2.779 211 T HA 0.099 4.449 4.350 -0.000 0.000 0.296 211 T C 0.543 175.218 174.700 -0.041 0.000 0.938 211 T CA -0.455 61.638 62.100 -0.013 0.000 1.119 211 T CB 1.155 69.988 68.868 -0.058 0.000 0.891 211 T HN 0.013 nan 8.240 nan 0.000 0.526 212 R N 2.305 122.804 120.500 -0.002 0.000 2.537 212 R HA 0.367 4.707 4.340 -0.000 0.000 0.280 212 R C 1.225 177.486 176.300 -0.065 0.000 1.058 212 R CA 0.991 57.070 56.100 -0.035 0.000 1.057 212 R CB -0.076 30.163 30.300 -0.102 0.000 0.973 212 R HN 0.942 nan 8.270 nan 0.000 0.438 213 G N 2.090 110.849 108.800 -0.068 0.000 2.147 213 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 213 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 213 G C 0.140 174.987 174.900 -0.089 0.000 1.005 213 G CA 0.242 45.297 45.100 -0.075 0.000 0.713 213 G HN 0.861 nan 8.290 nan 0.000 0.515 214 A N -0.563 122.174 122.820 -0.138 0.000 2.585 214 A HA 0.612 4.932 4.320 -0.000 0.000 0.281 214 A C 0.414 177.885 177.584 -0.188 0.000 0.945 214 A CA 0.111 52.086 52.037 -0.103 0.000 1.031 214 A CB 0.427 19.372 19.000 -0.091 0.000 1.221 214 A HN 0.307 nan 8.150 nan 0.000 0.496 215 N N -1.291 117.221 118.700 -0.313 0.000 3.102 215 N HA 0.332 5.072 4.740 -0.000 0.000 0.299 215 N C 0.674 176.023 175.510 -0.269 0.000 1.482 215 N CA -0.645 52.086 53.050 -0.532 0.000 0.785 215 N CB 1.037 38.559 38.487 -1.608 0.000 1.680 215 N HN 0.198 nan 8.380 nan 0.000 0.594 216 M N 0.297 119.794 119.600 -0.171 0.000 2.229 216 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 216 M C 0.505 176.720 176.300 -0.142 0.000 1.063 216 M CA 1.709 56.988 55.300 -0.034 0.000 1.114 216 M CB 0.133 32.799 32.600 0.111 0.000 1.387 216 M HN 0.383 nan 8.290 nan 0.000 0.420 217 L N -0.291 120.948 121.223 0.027 0.000 2.959 217 L HA 0.154 4.494 4.340 -0.000 0.000 0.259 217 L C 0.312 177.311 176.870 0.215 0.000 1.185 217 L CA -0.331 54.449 54.840 -0.101 0.000 0.998 217 L CB 0.127 42.136 42.059 -0.084 0.000 1.337 217 L HN 0.237 nan 8.230 nan 0.000 0.555 218 D N -1.078 119.434 120.400 0.186 0.000 2.431 218 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 218 D C 1.323 177.649 176.300 0.043 0.000 1.130 218 D CA 0.494 54.589 54.000 0.158 0.000 0.834 218 D CB 0.830 41.731 40.800 0.168 0.000 0.985 218 D HN 0.129 nan 8.370 nan 0.000 0.504 219 G N -0.326 108.484 108.800 0.017 0.000 2.195 219 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.224 219 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.224 219 G C 1.287 176.084 174.900 -0.171 0.000 0.990 219 G CA 0.188 45.236 45.100 -0.087 0.000 0.639 219 G HN 0.613 nan 8.290 nan 0.000 0.514 220 G N 0.703 109.404 108.800 -0.163 0.000 2.432 220 G HA2 0.364 4.324 3.960 -0.000 0.000 0.219 220 G HA3 0.364 4.324 3.960 -0.000 0.000 0.219 220 G C 0.987 175.625 174.900 -0.438 0.000 1.135 220 G CA 1.681 46.676 45.100 -0.174 0.000 0.767 220 G HN 1.790 nan 8.290 nan 0.000 0.550 221 A N 0.334 122.729 122.820 -0.708 0.000 2.301 221 A HA 0.646 4.965 4.320 -0.000 0.000 0.298 221 A C -1.146 175.798 177.584 -1.067 0.000 1.185 221 A CA -1.293 49.829 52.037 -1.525 0.000 0.830 221 A CB 1.388 19.462 19.000 -1.543 0.000 1.112 221 A HN 0.036 nan 8.150 nan 0.000 0.508 222 P HA -0.158 nan 4.420 nan 0.000 0.219 222 P C 0.500 177.762 177.300 -0.064 0.000 1.146 222 P CA 1.462 64.351 63.100 -0.352 0.000 0.808 222 P CB -0.100 31.477 31.700 -0.205 0.000 0.779 223 Y N -4.491 115.774 120.300 -0.058 0.000 2.461 223 Y HA 0.330 4.880 4.550 -0.000 0.000 0.277 223 Y C 0.175 176.160 175.900 0.143 0.000 1.182 223 Y CA -0.927 57.252 58.100 0.131 0.000 1.276 223 Y CB -0.942 37.636 38.460 0.196 0.000 1.087 223 Y HN -0.113 nan 8.280 nan 0.000 0.519 224 Y N 1.711 121.846 120.300 -0.275 0.000 2.544 224 Y HA 0.508 5.058 4.550 -0.000 0.000 0.347 224 Y C -1.364 174.419 175.900 -0.194 0.000 1.089 224 Y CA -1.145 56.861 58.100 -0.157 0.000 1.230 224 Y CB 0.253 38.620 38.460 -0.155 0.000 1.101 224 Y HN 0.236 nan 8.280 nan 0.000 0.641 225 D N 0.501 120.728 120.400 -0.288 0.000 2.764 225 D HA 0.239 4.879 4.640 -0.000 0.000 0.293 225 D C -0.909 175.185 176.300 -0.343 0.000 1.287 225 D CA -0.126 53.681 54.000 -0.321 0.000 0.768 225 D CB 1.630 42.198 40.800 -0.386 0.000 1.288 225 D HN 0.259 nan 8.370 nan 0.000 0.426 226 T N -1.281 113.042 114.554 -0.385 0.000 2.918 226 T HA 0.720 5.070 4.350 -0.000 0.000 0.283 226 T C -0.568 173.831 174.700 -0.502 0.000 1.001 226 T CA -0.245 61.657 62.100 -0.331 0.000 1.041 226 T CB 0.877 69.573 68.868 -0.286 0.000 1.028 226 T HN 0.284 nan 8.240 nan 0.000 0.511 227 Y N -0.550 119.623 120.300 -0.212 0.000 2.442 227 Y HA 0.438 4.988 4.550 -0.000 0.000 0.344 227 Y C 0.270 176.193 175.900 0.037 0.000 0.976 227 Y CA -1.082 56.930 58.100 -0.147 0.000 1.040 227 Y CB 2.042 40.252 38.460 -0.416 0.000 1.228 227 Y HN 0.824 nan 8.280 nan 0.000 0.451 228 E N 2.308 122.673 120.200 0.274 0.000 2.338 228 E HA 0.386 4.736 4.350 -0.000 0.000 0.272 228 E C -0.870 175.821 176.600 0.152 0.000 1.029 228 E CA -0.254 56.246 56.400 0.167 0.000 0.872 228 E CB 0.593 30.380 29.700 0.144 0.000 1.015 228 E HN 0.689 nan 8.360 nan 0.000 0.417 229 C N 2.509 121.852 119.300 0.072 0.000 2.380 229 C HA 0.480 4.940 4.460 -0.000 0.000 0.393 229 C C 1.823 176.877 174.990 0.106 0.000 1.284 229 C CA -0.096 59.051 59.018 0.215 0.000 2.033 229 C CB 0.807 28.728 27.740 0.302 0.000 2.165 229 C HN 0.987 nan 8.230 nan 0.000 0.540 230 A N 0.981 123.879 122.820 0.129 0.000 2.024 230 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 230 A C 1.529 179.110 177.584 -0.005 0.000 1.164 230 A CA 2.315 54.377 52.037 0.041 0.000 0.643 230 A CB -0.542 18.457 19.000 -0.002 0.000 0.806 230 A HN 0.959 nan 8.150 nan 0.000 0.451 231 D N -2.325 118.065 120.400 -0.016 0.000 2.328 231 D HA 0.272 4.912 4.640 -0.000 0.000 0.221 231 D C 1.136 177.382 176.300 -0.090 0.000 1.072 231 D CA 0.770 54.743 54.000 -0.045 0.000 0.850 231 D CB -0.636 40.142 40.800 -0.037 0.000 0.922 231 D HN 0.753 nan 8.370 nan 0.000 0.516 232 G N 0.484 109.204 108.800 -0.132 0.000 2.162 232 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 232 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 232 G C 0.376 174.976 174.900 -0.500 0.000 0.976 232 G CA 0.141 45.102 45.100 -0.232 0.000 0.655 232 G HN 0.460 nan 8.290 nan 0.000 0.533 233 R N -1.362 118.870 120.500 -0.447 0.000 2.606 233 R HA 0.737 5.077 4.340 -0.000 0.000 0.249 233 R C -0.463 175.409 176.300 -0.715 0.000 1.127 233 R CA -0.589 55.180 56.100 -0.551 0.000 1.133 233 R CB 0.628 30.824 30.300 -0.173 0.000 1.243 233 R HN 0.235 nan 8.270 nan 0.000 0.558 234 Y N -0.838 119.469 120.300 0.011 0.000 2.576 234 Y HA 0.449 4.999 4.550 -0.000 0.000 0.346 234 Y C -0.124 175.757 175.900 -0.032 0.000 1.018 234 Y CA -1.156 56.934 58.100 -0.018 0.000 1.050 234 Y CB 1.704 40.122 38.460 -0.070 0.000 1.280 234 Y HN 0.249 nan 8.280 nan 0.000 0.474 235 V N -0.833 119.115 119.914 0.056 0.000 2.919 235 V HA 1.011 5.131 4.120 -0.000 0.000 0.316 235 V C -0.406 175.596 176.094 -0.153 0.000 1.077 235 V CA -1.283 60.974 62.300 -0.072 0.000 0.977 235 V CB 1.443 33.140 31.823 -0.209 0.000 1.039 235 V HN 0.948 nan 8.190 nan 0.000 0.441 236 A N 2.164 124.881 122.820 -0.173 0.000 2.304 236 A HA 0.826 5.146 4.320 -0.000 0.000 0.323 236 A C -0.588 176.845 177.584 -0.251 0.000 1.195 236 A CA -0.628 51.279 52.037 -0.217 0.000 0.826 236 A CB 1.279 20.159 19.000 -0.199 0.000 1.184 236 A HN 1.188 nan 8.150 nan 0.000 0.496 237 V N 1.956 121.724 119.914 -0.242 0.000 2.448 237 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 237 V C 0.836 176.812 176.094 -0.198 0.000 1.025 237 V CA 0.280 62.471 62.300 -0.183 0.000 0.859 237 V CB 1.780 33.565 31.823 -0.063 0.000 0.988 237 V HN 1.173 nan 8.190 nan 0.000 0.431 238 G N 3.044 111.775 108.800 -0.115 0.000 4.543 238 G HA2 0.457 4.417 3.960 -0.000 0.000 0.286 238 G HA3 0.457 4.417 3.960 -0.000 0.000 0.286 238 G C 0.357 175.415 174.900 0.263 0.000 1.112 238 G CA 0.397 45.500 45.100 0.004 0.000 0.870 238 G HN 0.914 nan 8.290 nan 0.000 0.540 239 A N 0.835 123.828 122.820 0.289 0.000 3.037 239 A HA 0.550 4.870 4.320 -0.000 0.000 0.272 239 A C 1.288 179.074 177.584 0.336 0.000 1.723 239 A CA -0.346 51.888 52.037 0.329 0.000 1.413 239 A CB -0.446 18.719 19.000 0.275 0.000 1.112 239 A HN 0.411 nan 8.150 nan 0.000 0.606 240 I N -0.108 120.662 120.570 0.333 0.000 2.206 240 I HA -0.095 4.075 4.170 -0.000 0.000 0.239 240 I C 0.775 176.848 176.117 -0.073 0.000 1.078 240 I CA 0.579 61.956 61.300 0.129 0.000 1.367 240 I CB -0.187 37.959 38.000 0.244 0.000 1.078 240 I HN 0.452 nan 8.210 nan 0.000 0.413 241 E N 1.595 121.790 120.200 -0.007 0.000 2.413 241 E HA -0.025 4.325 4.350 -0.000 0.000 0.263 241 E C -1.717 174.761 176.600 -0.203 0.000 1.015 241 E CA -0.918 55.344 56.400 -0.231 0.000 0.916 241 E CB 0.131 29.473 29.700 -0.597 0.000 0.947 241 E HN 0.044 nan 8.360 nan 0.000 0.440 242 P HA -0.258 nan 4.420 nan 0.000 0.216 242 P C 1.121 178.414 177.300 -0.012 0.000 1.150 242 P CA 1.277 64.330 63.100 -0.079 0.000 0.843 242 P CB 0.172 31.818 31.700 -0.090 0.000 0.787 243 Q N -1.421 118.293 119.800 -0.144 0.000 2.230 243 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 243 Q C 1.665 177.736 176.000 0.118 0.000 0.963 243 Q CA 1.494 57.262 55.803 -0.059 0.000 0.866 243 Q CB -1.139 27.525 28.738 -0.123 0.000 0.931 243 Q HN 0.209 nan 8.270 nan 0.000 0.452 244 F N 0.416 120.402 119.950 0.059 0.000 2.149 244 F HA -0.006 4.521 4.527 -0.000 0.000 0.294 244 F C 2.394 178.231 175.800 0.062 0.000 1.095 244 F CA -0.138 57.892 58.000 0.051 0.000 1.276 244 F CB -1.506 37.524 39.000 0.049 0.000 1.023 244 F HN 0.039 nan 8.300 nan 0.000 0.480 245 Y N 1.230 121.608 120.300 0.129 0.000 2.114 245 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 245 Y C 2.447 178.376 175.900 0.048 0.000 1.165 245 Y CA 1.714 59.842 58.100 0.047 0.000 1.148 245 Y CB -0.658 37.775 38.460 -0.045 0.000 0.972 245 Y HN -0.005 nan 8.280 nan 0.000 0.504 246 A N 0.192 123.058 122.820 0.078 0.000 1.902 246 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 246 A C 2.419 179.993 177.584 -0.018 0.000 1.181 246 A CA 1.939 53.975 52.037 -0.002 0.000 0.623 246 A CB -1.474 17.566 19.000 0.065 0.000 0.818 246 A HN 0.614 nan 8.150 nan 0.000 0.443 247 A N -1.031 121.824 122.820 0.059 0.000 1.930 247 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 247 A C 2.213 179.874 177.584 0.127 0.000 1.175 247 A CA 1.721 53.820 52.037 0.104 0.000 0.627 247 A CB -0.488 18.604 19.000 0.153 0.000 0.815 247 A HN 0.519 nan 8.150 nan 0.000 0.443 248 M N -0.159 119.448 119.600 0.011 0.000 2.067 248 M HA -0.107 4.373 4.480 -0.000 0.000 0.260 248 M C 2.035 178.301 176.300 -0.057 0.000 1.069 248 M CA 1.712 56.968 55.300 -0.072 0.000 1.117 248 M CB -0.605 31.867 32.600 -0.213 0.000 1.334 248 M HN 0.451 nan 8.290 nan 0.000 0.407 249 L N -0.005 121.074 121.223 -0.240 0.000 2.083 249 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 249 L C 2.731 179.548 176.870 -0.088 0.000 1.083 249 L CA 1.197 55.901 54.840 -0.228 0.000 0.752 249 L CB -1.153 40.730 42.059 -0.294 0.000 0.899 249 L HN 0.356 nan 8.230 nan 0.000 0.433 250 A N 0.609 123.411 122.820 -0.030 0.000 1.883 250 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 250 A C 2.420 180.002 177.584 -0.002 0.000 1.186 250 A CA 1.938 53.973 52.037 -0.003 0.000 0.624 250 A CB -1.297 17.715 19.000 0.020 0.000 0.822 250 A HN 0.446 nan 8.150 nan 0.000 0.444 251 G N -0.538 108.299 108.800 0.061 0.000 2.422 251 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.218 251 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.218 251 G C 1.407 176.250 174.900 -0.095 0.000 1.140 251 G CA 0.881 45.894 45.100 -0.144 0.000 0.775 251 G HN 0.443 nan 8.290 nan 0.000 0.545 252 L N 0.529 121.740 121.223 -0.020 0.000 2.552 252 L HA 0.177 4.517 4.340 -0.000 0.000 0.227 252 L C 2.070 178.916 176.870 -0.040 0.000 1.146 252 L CA 0.405 55.164 54.840 -0.134 0.000 0.858 252 L CB -0.270 41.543 42.059 -0.410 0.000 0.969 252 L HN 0.373 nan 8.230 nan 0.000 0.451 253 G N 0.873 109.656 108.800 -0.029 0.000 2.198 253 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 253 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 253 G C 0.111 174.993 174.900 -0.029 0.000 1.025 253 G CA -0.001 45.090 45.100 -0.015 0.000 0.769 253 G HN 0.267 nan 8.290 nan 0.000 0.507 254 L N 0.282 121.469 121.223 -0.060 0.000 2.334 254 L HA 0.461 4.801 4.340 -0.000 0.000 0.277 254 L C 0.252 177.099 176.870 -0.040 0.000 1.075 254 L CA -0.959 53.847 54.840 -0.057 0.000 0.804 254 L CB 1.240 43.243 42.059 -0.094 0.000 1.174 254 L HN 0.164 nan 8.230 nan 0.000 0.438 255 D N 1.897 122.285 120.400 -0.019 0.000 2.316 255 D HA 0.247 4.887 4.640 -0.000 0.000 0.245 255 D C 0.764 177.067 176.300 0.005 0.000 1.171 255 D CA -0.218 53.779 54.000 -0.006 0.000 0.856 255 D CB 1.952 42.753 40.800 0.002 0.000 1.090 255 D HN 0.577 nan 8.370 nan 0.000 0.476 256 A N 4.093 126.919 122.820 0.010 0.000 1.978 256 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 256 A C 2.057 179.673 177.584 0.053 0.000 1.170 256 A CA 1.762 53.824 52.037 0.041 0.000 0.636 256 A CB -0.591 18.442 19.000 0.055 0.000 0.810 256 A HN 0.681 nan 8.150 nan 0.000 0.448 257 A N -0.918 121.924 122.820 0.036 0.000 2.121 257 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 257 A C 1.624 179.229 177.584 0.034 0.000 1.154 257 A CA 1.352 53.409 52.037 0.034 0.000 0.679 257 A CB -0.162 18.853 19.000 0.024 0.000 0.795 257 A HN 0.413 nan 8.150 nan 0.000 0.458 258 E N -0.714 119.506 120.200 0.033 0.000 2.481 258 E HA 0.267 4.617 4.350 -0.000 0.000 0.198 258 E C -0.088 176.538 176.600 0.043 0.000 1.027 258 E CA 0.093 56.512 56.400 0.032 0.000 0.900 258 E CB 0.195 29.907 29.700 0.022 0.000 0.993 258 E HN 0.574 nan 8.360 nan 0.000 0.482 259 L N 1.101 122.360 121.223 0.061 0.000 2.313 259 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 259 L C -2.237 174.694 176.870 0.101 0.000 1.010 259 L CA -2.342 52.549 54.840 0.085 0.000 0.814 259 L CB 0.835 42.959 42.059 0.109 0.000 1.304 259 L HN -0.254 nan 8.230 nan 0.000 0.441 260 P HA 0.173 nan 4.420 nan 0.000 0.269 260 P C -2.514 174.871 177.300 0.141 0.000 1.215 260 P CA -0.932 62.239 63.100 0.119 0.000 0.780 260 P CB -0.338 31.448 31.700 0.145 0.000 0.898 261 P HA -0.009 nan 4.420 nan 0.000 0.267 261 P C 1.003 178.356 177.300 0.088 0.000 1.200 261 P CA 0.010 63.157 63.100 0.079 0.000 0.772 261 P CB 0.359 32.079 31.700 0.033 0.000 0.855 262 Q N 2.351 122.124 119.800 -0.044 0.000 2.152 262 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 262 Q C 0.328 176.432 176.000 0.173 0.000 0.985 262 Q CA 1.928 57.591 55.803 -0.234 0.000 0.863 262 Q CB -0.196 28.007 28.738 -0.892 0.000 0.904 262 Q HN 0.502 nan 8.270 nan 0.000 0.422 263 N N 0.393 119.148 118.700 0.092 0.000 2.234 263 N HA 0.026 4.766 4.740 -0.000 0.000 0.227 263 N C -1.109 174.357 175.510 -0.072 0.000 1.151 263 N CA -0.177 52.953 53.050 0.134 0.000 0.865 263 N CB 0.612 39.114 38.487 0.025 0.000 1.066 263 N HN 0.074 nan 8.380 nan 0.000 0.515 264 D N 1.282 121.651 120.400 -0.053 0.000 2.470 264 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 264 D C 0.952 177.023 176.300 -0.381 0.000 1.196 264 D CA -0.038 53.870 54.000 -0.152 0.000 0.979 264 D CB 0.307 41.081 40.800 -0.043 0.000 1.059 264 D HN 0.116 nan 8.370 nan 0.000 0.515 265 R N 2.251 122.317 120.500 -0.723 0.000 2.152 265 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 265 R C 1.891 177.900 176.300 -0.485 0.000 1.117 265 R CA 1.161 56.544 56.100 -1.195 0.000 0.981 265 R CB -0.041 29.543 30.300 -1.194 0.000 0.870 265 R HN 0.399 nan 8.270 nan 0.000 0.451 266 A N 1.081 123.738 122.820 -0.273 0.000 2.070 266 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 266 A C 1.724 179.290 177.584 -0.031 0.000 1.159 266 A CA 1.133 53.098 52.037 -0.120 0.000 0.656 266 A CB -0.114 18.831 19.000 -0.091 0.000 0.800 266 A HN 0.225 nan 8.150 nan 0.000 0.453 267 R N -2.403 118.095 120.500 -0.003 0.000 2.509 267 R HA 0.056 4.396 4.340 -0.000 0.000 0.300 267 R C 0.883 177.324 176.300 0.235 0.000 0.985 267 R CA -0.409 55.748 56.100 0.095 0.000 1.092 267 R CB 0.033 30.383 30.300 0.084 0.000 1.237 267 R HN 0.594 nan 8.270 nan 0.000 0.546 268 W N 1.776 123.094 121.300 0.030 0.000 2.321 268 W HA -0.054 4.606 4.660 -0.000 0.000 0.306 268 W C -0.952 175.594 176.519 0.045 0.000 1.217 268 W CA 0.928 58.297 57.345 0.040 0.000 1.257 268 W CB -1.629 27.839 29.460 0.012 0.000 1.145 268 W HN 0.068 nan 8.180 nan 0.000 0.509 269 P HA -0.191 nan 4.420 nan 0.000 0.217 269 P C 1.500 178.877 177.300 0.128 0.000 1.150 269 P CA 2.251 65.438 63.100 0.145 0.000 0.832 269 P CB -0.114 31.649 31.700 0.106 0.000 0.787 270 E N -0.538 119.741 120.200 0.131 0.000 2.051 270 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 270 E C 1.860 178.537 176.600 0.128 0.000 0.991 270 E CA 0.835 57.303 56.400 0.112 0.000 0.799 270 E CB -0.534 29.227 29.700 0.101 0.000 0.748 270 E HN -0.002 nan 8.360 nan 0.000 0.449 271 L N 1.531 122.856 121.223 0.171 0.000 2.017 271 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 271 L C 2.528 179.493 176.870 0.157 0.000 1.073 271 L CA 1.906 56.854 54.840 0.180 0.000 0.745 271 L CB -0.526 41.686 42.059 0.254 0.000 0.894 271 L HN 0.027 nan 8.230 nan 0.000 0.432 272 R N -0.688 119.904 120.500 0.154 0.000 2.081 272 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 272 R C 2.154 178.570 176.300 0.194 0.000 1.131 272 R CA 1.370 57.581 56.100 0.186 0.000 0.960 272 R CB -0.391 29.976 30.300 0.111 0.000 0.856 272 R HN 0.532 nan 8.270 nan 0.000 0.436 273 A N 0.893 123.794 122.820 0.135 0.000 1.933 273 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 273 A C 2.155 179.798 177.584 0.097 0.000 1.175 273 A CA 1.192 53.297 52.037 0.113 0.000 0.628 273 A CB -0.460 18.590 19.000 0.084 0.000 0.814 273 A HN 0.335 nan 8.150 nan 0.000 0.444 274 L N -0.688 120.582 121.223 0.080 0.000 2.056 274 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 274 L C 2.522 179.386 176.870 -0.010 0.000 1.078 274 L CA 0.977 55.839 54.840 0.038 0.000 0.749 274 L CB -0.474 41.607 42.059 0.036 0.000 0.901 274 L HN 0.367 nan 8.230 nan 0.000 0.433 275 L N -1.090 120.129 121.223 -0.007 0.000 2.093 275 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 275 L C 2.608 179.426 176.870 -0.086 0.000 1.085 275 L CA 1.304 56.047 54.840 -0.162 0.000 0.755 275 L CB -0.948 40.981 42.059 -0.217 0.000 0.904 275 L HN 0.253 nan 8.230 nan 0.000 0.435 276 T N -0.772 113.890 114.554 0.179 0.000 2.708 276 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 276 T C 1.787 176.595 174.700 0.179 0.000 1.037 276 T CA 1.690 63.982 62.100 0.320 0.000 1.146 276 T CB -0.147 68.897 68.868 0.292 0.000 0.865 276 T HN 0.393 nan 8.240 nan 0.000 0.435 277 E N 0.829 121.087 120.200 0.098 0.000 2.085 277 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 277 E C 2.376 179.002 176.600 0.044 0.000 0.994 277 E CA 1.126 57.565 56.400 0.065 0.000 0.801 277 E CB -0.217 29.507 29.700 0.039 0.000 0.743 277 E HN 0.472 nan 8.360 nan 0.000 0.453 278 A N 0.401 123.194 122.820 -0.045 0.000 1.858 278 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 278 A C 1.923 179.456 177.584 -0.087 0.000 1.190 278 A CA 1.361 53.320 52.037 -0.130 0.000 0.617 278 A CB -0.933 17.851 19.000 -0.361 0.000 0.827 278 A HN 0.358 nan 8.150 nan 0.000 0.443 279 F N 0.194 120.058 119.950 -0.143 0.000 2.234 279 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 279 F C 2.706 178.681 175.800 0.291 0.000 1.087 279 F CA 0.724 58.641 58.000 -0.139 0.000 1.340 279 F CB -0.479 38.338 39.000 -0.306 0.000 1.031 279 F HN 0.250 nan 8.300 nan 0.000 0.500 280 A N -0.480 122.550 122.820 0.350 0.000 2.121 280 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 280 A C 2.252 179.948 177.584 0.187 0.000 1.154 280 A CA 1.542 53.729 52.037 0.251 0.000 0.679 280 A CB -1.013 18.082 19.000 0.159 0.000 0.795 280 A HN 0.379 nan 8.150 nan 0.000 0.458 281 S N -1.234 114.587 115.700 0.202 0.000 2.522 281 S HA 0.032 4.502 4.470 -0.000 0.000 0.227 281 S C 0.672 175.064 174.600 -0.347 0.000 0.986 281 S CA 0.154 58.333 58.200 -0.034 0.000 0.929 281 S CB -0.271 62.913 63.200 -0.027 0.000 0.769 281 S HN 0.632 nan 8.310 nan 0.000 0.529 282 H N 0.875 120.010 119.070 0.107 0.000 2.985 282 H HA 0.380 4.936 4.556 -0.000 0.000 0.360 282 H C -1.206 174.078 175.328 -0.073 0.000 1.221 282 H CA -0.639 55.257 56.048 -0.254 0.000 1.121 282 H CB 1.450 30.598 29.762 -1.023 0.000 1.854 282 H HN 0.366 nan 8.280 nan 0.000 0.551 283 D N -0.254 120.132 120.400 -0.023 0.000 2.371 283 D HA 0.017 4.657 4.640 -0.000 0.000 0.242 283 D C 1.289 177.649 176.300 0.099 0.000 1.218 283 D CA -0.549 53.475 54.000 0.041 0.000 0.945 283 D CB 1.273 42.073 40.800 -0.000 0.000 1.137 283 D HN 0.501 nan 8.370 nan 0.000 0.464 284 R N -0.029 120.562 120.500 0.152 0.000 2.091 284 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 284 R C 0.947 177.344 176.300 0.161 0.000 1.136 284 R CA 1.712 57.947 56.100 0.224 0.000 0.959 284 R CB -0.295 30.077 30.300 0.120 0.000 0.856 284 R HN 0.485 nan 8.270 nan 0.000 0.437 285 D N -0.438 120.000 120.400 0.065 0.000 2.133 285 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 285 D C 1.784 178.076 176.300 -0.013 0.000 0.997 285 D CA 1.292 55.306 54.000 0.024 0.000 0.840 285 D CB -0.524 40.274 40.800 -0.003 0.000 0.947 285 D HN 0.425 nan 8.370 nan 0.000 0.452 286 H N -0.929 118.019 119.070 -0.203 0.000 2.319 286 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 286 H C 2.053 177.161 175.328 -0.366 0.000 1.092 286 H CA 1.688 57.491 56.048 -0.409 0.000 1.302 286 H CB -0.385 28.957 29.762 -0.699 0.000 1.373 286 H HN 0.313 nan 8.280 nan 0.000 0.497 287 W N 0.624 121.998 121.300 0.124 0.000 2.388 287 W HA -0.035 4.625 4.660 -0.000 0.000 0.294 287 W C 2.943 179.560 176.519 0.163 0.000 1.212 287 W CA 0.479 57.935 57.345 0.185 0.000 1.271 287 W CB -0.590 29.157 29.460 0.477 0.000 1.126 287 W HN 0.264 nan 8.180 nan 0.000 0.535 288 G N 0.897 109.862 108.800 0.274 0.000 2.513 288 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 288 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 288 G C 1.646 176.575 174.900 0.048 0.000 1.160 288 G CA 1.763 46.953 45.100 0.149 0.000 0.767 288 G HN 0.338 nan 8.290 nan 0.000 0.571 289 A N -0.245 122.529 122.820 -0.076 0.000 1.897 289 A HA 0.173 4.493 4.320 -0.000 0.000 0.215 289 A C 2.611 180.065 177.584 -0.217 0.000 1.181 289 A CA 1.687 53.631 52.037 -0.156 0.000 0.620 289 A CB -0.550 18.312 19.000 -0.229 0.000 0.821 289 A HN 0.263 nan 8.150 nan 0.000 0.443 290 V N -1.464 118.239 119.914 -0.350 0.000 2.343 290 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 290 V C 1.771 177.613 176.094 -0.420 0.000 1.051 290 V CA 1.783 63.789 62.300 -0.489 0.000 1.036 290 V CB -0.732 30.694 31.823 -0.662 0.000 0.654 290 V HN 0.610 nan 8.190 nan 0.000 0.451 291 F N -0.161 119.810 119.950 0.035 0.000 2.641 291 F HA 0.528 5.055 4.527 -0.000 0.000 0.302 291 F C 0.983 176.781 175.800 -0.003 0.000 1.098 291 F CA 0.052 58.070 58.000 0.030 0.000 1.318 291 F CB -0.032 39.009 39.000 0.069 0.000 1.035 291 F HN 0.009 nan 8.300 nan 0.000 0.551 292 A N 0.762 123.642 122.820 0.099 0.000 2.310 292 A HA 0.461 4.781 4.320 -0.000 0.000 0.300 292 A C 0.483 178.085 177.584 0.030 0.000 1.269 292 A CA -0.032 52.038 52.037 0.055 0.000 0.909 292 A CB -0.408 18.601 19.000 0.014 0.000 1.144 292 A HN 0.696 nan 8.150 nan 0.000 0.540 293 N N -0.156 118.561 118.700 0.028 0.000 3.018 293 N HA -0.152 4.588 4.740 -0.000 0.000 0.209 293 N C 0.057 175.581 175.510 0.022 0.000 0.928 293 N CA 0.762 53.820 53.050 0.013 0.000 1.032 293 N CB -1.318 37.172 38.487 0.005 0.000 1.036 293 N HN 0.937 nan 8.380 nan 0.000 0.552 294 S N -0.922 114.809 115.700 0.051 0.000 2.718 294 S HA 0.546 5.016 4.470 -0.000 0.000 0.300 294 S C -0.106 174.491 174.600 -0.006 0.000 1.117 294 S CA -0.653 57.584 58.200 0.062 0.000 1.002 294 S CB 1.910 65.205 63.200 0.159 0.000 1.092 294 S HN 0.029 nan 8.310 nan 0.000 0.542 295 D N 0.591 120.977 120.400 -0.023 0.000 2.395 295 D HA 0.382 5.022 4.640 -0.000 0.000 0.226 295 D C 1.457 177.646 176.300 -0.186 0.000 1.146 295 D CA 0.141 54.021 54.000 -0.200 0.000 0.830 295 D CB 0.082 40.762 40.800 -0.199 0.000 0.958 295 D HN 0.643 nan 8.370 nan 0.000 0.501 296 A N -0.507 122.282 122.820 -0.053 0.000 2.178 296 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 296 A C 1.489 178.961 177.584 -0.186 0.000 1.157 296 A CA 0.220 52.205 52.037 -0.087 0.000 0.689 296 A CB -0.571 18.332 19.000 -0.162 0.000 0.787 296 A HN 0.434 nan 8.150 nan 0.000 0.465 297 C N -1.426 117.740 119.300 -0.222 0.000 4.350 297 C HA -0.102 4.358 4.460 -0.000 0.000 0.302 297 C C 0.336 175.193 174.990 -0.221 0.000 1.390 297 C CA 0.190 59.090 59.018 -0.197 0.000 2.016 297 C CB -3.241 24.436 27.740 -0.104 0.000 1.271 297 C HN 0.414 nan 8.230 nan 0.000 0.760 298 V N 1.232 120.964 119.914 -0.304 0.000 2.378 298 V HA 0.733 4.853 4.120 -0.000 0.000 0.288 298 V C 0.467 176.470 176.094 -0.152 0.000 1.016 298 V CA 0.362 62.458 62.300 -0.341 0.000 0.840 298 V CB 2.170 33.540 31.823 -0.755 0.000 0.994 298 V HN 0.593 nan 8.190 nan 0.000 0.431 299 T N 3.553 118.038 114.554 -0.115 0.000 2.906 299 T HA 0.664 5.014 4.350 -0.000 0.000 0.295 299 T C -3.074 171.614 174.700 -0.019 0.000 1.061 299 T CA -2.353 59.719 62.100 -0.047 0.000 1.000 299 T CB 2.434 71.258 68.868 -0.072 0.000 1.103 299 T HN 0.414 nan 8.240 nan 0.000 0.486 300 P HA 0.252 nan 4.420 nan 0.000 0.276 300 P C -0.503 176.797 177.300 -0.001 0.000 1.230 300 P CA -0.394 62.726 63.100 0.033 0.000 0.776 300 P CB 0.706 32.429 31.700 0.039 0.000 0.888 301 V N 5.307 125.230 119.914 0.015 0.000 2.372 301 V HA 0.117 4.237 4.120 -0.000 0.000 0.261 301 V C 0.770 176.859 176.094 -0.008 0.000 1.055 301 V CA -0.161 62.136 62.300 -0.005 0.000 0.930 301 V CB -0.155 31.687 31.823 0.031 0.000 1.031 301 V HN 0.380 nan 8.190 nan 0.000 0.479 302 L N 4.520 125.712 121.223 -0.052 0.000 2.312 302 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 302 L C 0.795 177.588 176.870 -0.128 0.000 1.070 302 L CA -0.281 54.518 54.840 -0.069 0.000 0.805 302 L CB 1.363 43.378 42.059 -0.074 0.000 1.174 302 L HN 0.666 nan 8.230 nan 0.000 0.434 303 A N 2.432 125.188 122.820 -0.108 0.000 2.332 303 A HA 0.322 4.642 4.320 -0.000 0.000 0.258 303 A C 0.865 178.369 177.584 -0.134 0.000 1.087 303 A CA -0.189 51.748 52.037 -0.166 0.000 0.802 303 A CB 0.089 19.055 19.000 -0.056 0.000 1.042 303 A HN 0.722 nan 8.150 nan 0.000 0.489 304 F N 1.374 121.311 119.950 -0.023 0.000 2.111 304 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 304 F C 2.524 178.285 175.800 -0.066 0.000 1.088 304 F CA 1.888 59.855 58.000 -0.054 0.000 1.243 304 F CB -0.415 38.569 39.000 -0.026 0.000 0.996 304 F HN 0.677 nan 8.300 nan 0.000 0.483 305 G N -0.666 108.242 108.800 0.180 0.000 2.509 305 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 305 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 305 G C 1.261 176.233 174.900 0.119 0.000 1.124 305 G CA 0.658 45.846 45.100 0.148 0.000 0.776 305 G HN 0.424 nan 8.290 nan 0.000 0.547 306 E N -0.201 120.001 120.200 0.003 0.000 2.452 306 E HA 0.115 4.465 4.350 -0.000 0.000 0.197 306 E C 2.288 178.753 176.600 -0.225 0.000 1.022 306 E CA -0.254 56.077 56.400 -0.115 0.000 0.890 306 E CB 0.464 30.111 29.700 -0.089 0.000 0.918 306 E HN 0.262 nan 8.360 nan 0.000 0.496 307 V N 2.874 122.677 119.914 -0.185 0.000 2.332 307 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 307 V C 2.534 178.403 176.094 -0.375 0.000 1.055 307 V CA 2.220 64.371 62.300 -0.249 0.000 1.038 307 V CB -0.882 30.771 31.823 -0.284 0.000 0.651 307 V HN 0.540 nan 8.190 nan 0.000 0.450 308 H N -0.167 118.544 119.070 -0.597 0.000 2.518 308 H HA -0.081 4.475 4.556 -0.000 0.000 0.289 308 H C 1.417 176.489 175.328 -0.427 0.000 1.051 308 H CA 1.457 57.020 56.048 -0.809 0.000 1.280 308 H CB -0.372 28.486 29.762 -1.506 0.000 1.380 308 H HN 0.415 nan 8.280 nan 0.000 0.566 309 N N 0.834 119.088 118.700 -0.744 0.000 2.336 309 N HA -0.031 4.709 4.740 -0.000 0.000 0.189 309 N C 0.000 175.370 175.510 -0.234 0.000 1.113 309 N CA 0.157 52.925 53.050 -0.470 0.000 0.858 309 N CB 0.383 38.593 38.487 -0.462 0.000 0.970 309 N HN 0.422 nan 8.380 nan 0.000 0.471 310 E N 1.365 121.448 120.200 -0.194 0.000 2.223 310 E HA 0.178 4.528 4.350 -0.000 0.000 0.282 310 E C -1.704 174.872 176.600 -0.038 0.000 1.046 310 E CA -2.037 54.310 56.400 -0.088 0.000 0.857 310 E CB 1.332 31.000 29.700 -0.054 0.000 1.055 310 E HN -0.028 nan 8.360 nan 0.000 0.409 311 P HA -0.190 nan 4.420 nan 0.000 0.216 311 P C 0.677 178.002 177.300 0.041 0.000 1.153 311 P CA 1.391 64.499 63.100 0.012 0.000 0.858 311 P CB 0.044 31.758 31.700 0.024 0.000 0.789 312 H N -0.921 118.142 119.070 -0.012 0.000 2.387 312 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 312 H C 1.799 177.136 175.328 0.015 0.000 1.090 312 H CA 1.263 57.311 56.048 0.001 0.000 1.332 312 H CB -0.558 29.204 29.762 -0.000 0.000 1.386 312 H HN -0.062 nan 8.280 nan 0.000 0.516 313 I N 0.107 120.702 120.570 0.041 0.000 2.202 313 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 313 I C 2.322 178.440 176.117 0.003 0.000 1.091 313 I CA 1.094 62.419 61.300 0.042 0.000 1.368 313 I CB -0.921 37.126 38.000 0.078 0.000 1.058 313 I HN 0.342 nan 8.210 nan 0.000 0.410 314 I N 0.563 121.117 120.570 -0.027 0.000 2.142 314 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 314 I C 2.487 178.600 176.117 -0.008 0.000 1.078 314 I CA 1.257 62.549 61.300 -0.014 0.000 1.343 314 I CB -0.404 37.583 38.000 -0.021 0.000 1.046 314 I HN 0.162 nan 8.210 nan 0.000 0.405 315 E N 0.876 121.048 120.200 -0.046 0.000 2.204 315 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 315 E C 2.037 178.592 176.600 -0.075 0.000 0.989 315 E CA 1.000 57.369 56.400 -0.051 0.000 0.824 315 E CB -0.141 29.526 29.700 -0.055 0.000 0.756 315 E HN 0.506 nan 8.360 nan 0.000 0.477 316 R N 0.616 121.036 120.500 -0.133 0.000 2.317 316 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 316 R C 0.022 176.295 176.300 -0.044 0.000 0.914 316 R CA -0.126 55.899 56.100 -0.124 0.000 1.060 316 R CB 0.068 30.229 30.300 -0.232 0.000 1.015 316 R HN 0.057 nan 8.270 nan 0.000 0.498 317 N N 1.059 119.766 118.700 0.011 0.000 2.714 317 N HA -0.173 4.567 4.740 -0.000 0.000 0.252 317 N C 0.129 175.674 175.510 0.058 0.000 1.014 317 N CA 1.051 54.149 53.050 0.080 0.000 0.735 317 N CB -0.889 37.648 38.487 0.083 0.000 0.924 317 N HN 0.232 nan 8.380 nan 0.000 0.540 318 T N -1.054 113.514 114.554 0.024 0.000 2.915 318 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 318 T C 0.561 175.049 174.700 -0.353 0.000 1.071 318 T CA 1.115 63.135 62.100 -0.135 0.000 1.132 318 T CB 0.020 68.821 68.868 -0.111 0.000 0.878 318 T HN 0.291 nan 8.240 nan 0.000 0.479 319 F N 0.090 120.135 119.950 0.159 0.000 2.579 319 F HA 0.570 5.097 4.527 -0.000 0.000 0.324 319 F C -0.352 175.738 175.800 0.483 0.000 1.058 319 F CA -1.910 56.262 58.000 0.287 0.000 0.944 319 F CB 1.412 40.554 39.000 0.238 0.000 1.245 319 F HN 0.067 nan 8.300 nan 0.000 0.477 320 Y N -1.729 118.888 120.300 0.528 0.000 2.570 320 Y HA 0.661 5.211 4.550 -0.000 0.000 0.345 320 Y C -0.996 174.996 175.900 0.154 0.000 1.014 320 Y CA -1.397 56.916 58.100 0.356 0.000 1.063 320 Y CB 1.024 39.571 38.460 0.145 0.000 1.272 320 Y HN 0.520 nan 8.280 nan 0.000 0.477 321 E N 1.563 121.584 120.200 -0.298 0.000 2.194 321 E HA 0.584 4.934 4.350 -0.000 0.000 0.284 321 E C -1.114 175.281 176.600 -0.341 0.000 1.035 321 E CA -0.674 55.284 56.400 -0.738 0.000 0.836 321 E CB 1.283 30.465 29.700 -0.864 0.000 1.070 321 E HN 0.738 nan 8.360 nan 0.000 0.401 322 A N 4.066 126.649 122.820 -0.395 0.000 2.343 322 A HA 0.278 4.598 4.320 -0.000 0.000 0.308 322 A C -0.196 177.289 177.584 -0.166 0.000 1.092 322 A CA -0.841 51.095 52.037 -0.169 0.000 0.751 322 A CB 0.713 19.642 19.000 -0.117 0.000 1.203 322 A HN 0.768 nan 8.150 nan 0.000 0.452 323 N N 1.383 120.020 118.700 -0.105 0.000 1.660 323 N HA 0.071 4.811 4.740 -0.000 0.000 0.338 323 N C 1.328 176.773 175.510 -0.109 0.000 1.283 323 N CA 2.607 55.598 53.050 -0.098 0.000 0.804 323 N CB 0.092 38.545 38.487 -0.056 0.000 1.049 323 N HN 1.689 nan 8.380 nan 0.000 0.511 324 G N 0.836 109.558 108.800 -0.131 0.000 2.278 324 G HA2 0.095 4.055 3.960 -0.000 0.000 0.210 324 G HA3 0.095 4.055 3.960 -0.000 0.000 0.210 324 G C 0.488 175.302 174.900 -0.144 0.000 1.000 324 G CA 0.013 45.046 45.100 -0.113 0.000 0.635 324 G HN 1.419 nan 8.290 nan 0.000 0.495 325 G N -1.741 106.922 108.800 -0.228 0.000 2.352 325 G HA2 0.394 4.353 3.960 -0.000 0.000 0.283 325 G HA3 0.394 4.353 3.960 -0.000 0.000 0.283 325 G C -1.198 173.471 174.900 -0.385 0.000 1.308 325 G CA -0.177 44.754 45.100 -0.281 0.000 0.892 325 G HN 0.827 nan 8.290 nan 0.000 0.504 326 W N 1.159 122.343 121.300 -0.193 0.000 2.261 326 W HA 0.664 5.324 4.660 -0.000 0.000 0.323 326 W C 0.429 176.857 176.519 -0.152 0.000 1.243 326 W CA -0.004 57.228 57.345 -0.188 0.000 1.210 326 W CB 1.049 30.379 29.460 -0.216 0.000 1.149 326 W HN 0.351 nan 8.180 nan 0.000 0.562 327 Q N 3.378 123.174 119.800 -0.006 0.000 2.397 327 Q HA 0.359 4.699 4.340 -0.000 0.000 0.275 327 Q C -2.476 173.618 176.000 0.156 0.000 1.090 327 Q CA -2.311 53.468 55.803 -0.040 0.000 0.809 327 Q CB 1.822 30.311 28.738 -0.415 0.000 1.362 327 Q HN 0.127 nan 8.270 nan 0.000 0.431 328 P HA 0.099 nan 4.420 nan 0.000 0.271 328 P C -0.162 177.195 177.300 0.095 0.000 1.220 328 P CA -0.176 62.800 63.100 -0.208 0.000 0.768 328 P CB 0.550 32.121 31.700 -0.216 0.000 0.848 329 M N 4.163 123.799 119.600 0.060 0.000 2.232 329 M HA 0.182 4.662 4.480 -0.000 0.000 0.321 329 M C -1.853 174.448 176.300 0.002 0.000 1.101 329 M CA -1.586 53.773 55.300 0.098 0.000 1.181 329 M CB -1.146 31.485 32.600 0.052 0.000 1.432 329 M HN 0.191 nan 8.290 nan 0.000 0.457 330 P HA 0.191 nan 4.420 nan 0.000 0.266 330 P C -1.304 175.993 177.300 -0.005 0.000 1.193 330 P CA 0.059 63.160 63.100 0.000 0.000 0.770 330 P CB 0.480 32.189 31.700 0.015 0.000 0.836 331 A N 3.165 125.983 122.820 -0.004 0.000 2.498 331 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 331 A C -2.460 175.123 177.584 -0.001 0.000 1.075 331 A CA -1.222 50.797 52.037 -0.030 0.000 0.714 331 A CB 0.577 19.546 19.000 -0.051 0.000 1.299 331 A HN 0.409 nan 8.150 nan 0.000 0.407 332 P HA 0.487 nan 4.420 nan 0.000 0.297 332 P C -0.773 176.296 177.300 -0.385 0.000 1.303 332 P CA -0.377 62.581 63.100 -0.237 0.000 0.753 332 P CB 0.545 32.050 31.700 -0.325 0.000 1.281 333 R N -1.276 118.944 120.500 -0.467 0.000 2.668 333 R HA 0.630 4.970 4.340 -0.000 0.000 0.279 333 R C -0.731 175.168 176.300 -0.669 0.000 0.976 333 R CA -0.454 55.418 56.100 -0.381 0.000 0.978 333 R CB 0.823 31.028 30.300 -0.158 0.000 1.133 333 R HN 0.344 nan 8.270 nan 0.000 0.484 334 F N -0.188 119.750 119.950 -0.020 0.000 2.507 334 F HA 0.180 4.707 4.527 -0.000 0.000 0.325 334 F C 1.399 177.191 175.800 -0.013 0.000 1.116 334 F CA -0.714 57.276 58.000 -0.016 0.000 0.930 334 F CB 2.175 41.164 39.000 -0.018 0.000 1.146 334 F HN 0.619 nan 8.300 nan 0.000 0.447 335 S N 2.027 117.802 115.700 0.124 0.000 2.402 335 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 335 S C 1.830 176.475 174.600 0.076 0.000 1.021 335 S CA 1.209 59.451 58.200 0.070 0.000 0.974 335 S CB -0.076 63.149 63.200 0.042 0.000 0.800 335 S HN 0.782 nan 8.310 nan 0.000 0.484 336 R N 1.337 121.895 120.500 0.096 0.000 2.140 336 R HA 0.094 4.434 4.340 -0.000 0.000 0.200 336 R C 0.099 176.427 176.300 0.047 0.000 1.069 336 R CA 1.163 57.298 56.100 0.059 0.000 1.088 336 R CB 0.138 30.466 30.300 0.047 0.000 1.012 336 R HN 0.497 nan 8.270 nan 0.000 0.500 337 T N -0.281 114.305 114.554 0.054 0.000 3.355 337 T HA 0.649 4.999 4.350 -0.000 0.000 0.376 337 T C -0.198 174.514 174.700 0.020 0.000 1.683 337 T CA -0.671 61.426 62.100 -0.005 0.000 1.269 337 T CB 1.228 70.045 68.868 -0.084 0.000 1.158 337 T HN 0.274 nan 8.240 nan 0.000 0.703 338 A N 2.684 125.538 122.820 0.057 0.000 2.388 338 A HA 0.611 4.931 4.320 -0.000 0.000 0.257 338 A C 0.736 178.346 177.584 0.044 0.000 1.095 338 A CA -0.606 51.489 52.037 0.096 0.000 0.791 338 A CB 0.159 19.200 19.000 0.067 0.000 1.029 338 A HN 0.728 nan 8.150 nan 0.000 0.489 339 S N 1.272 117.018 115.700 0.076 0.000 2.576 339 S HA 0.294 4.764 4.470 -0.000 0.000 0.276 339 S C 0.760 175.352 174.600 -0.012 0.000 1.339 339 S CA -0.394 57.817 58.200 0.017 0.000 1.039 339 S CB 0.651 63.878 63.200 0.045 0.000 0.902 339 S HN 0.763 nan 8.310 nan 0.000 0.516 340 S N 1.556 117.231 115.700 -0.042 0.000 2.614 340 S HA 0.166 4.636 4.470 -0.000 0.000 0.265 340 S C 0.231 174.762 174.600 -0.115 0.000 1.303 340 S CA -0.680 57.481 58.200 -0.065 0.000 1.000 340 S CB 0.469 63.631 63.200 -0.064 0.000 0.935 340 S HN 0.740 nan 8.310 nan 0.000 0.551 341 Q N 1.389 121.094 119.800 -0.157 0.000 2.300 341 Q HA 0.092 4.432 4.340 -0.000 0.000 0.280 341 Q C -2.389 173.420 176.000 -0.318 0.000 1.033 341 Q CA -1.196 54.418 55.803 -0.315 0.000 0.903 341 Q CB 0.070 28.625 28.738 -0.306 0.000 1.195 341 Q HN 0.220 nan 8.270 nan 0.000 0.386 342 P HA -0.041 nan 4.420 nan 0.000 0.266 342 P C -1.146 176.069 177.300 -0.141 0.000 1.195 342 P CA 0.423 63.394 63.100 -0.216 0.000 0.768 342 P CB 0.500 32.116 31.700 -0.141 0.000 0.838 343 R N 4.521 124.981 120.500 -0.065 0.000 2.340 343 R HA 0.256 4.596 4.340 -0.000 0.000 0.300 343 R C -1.864 174.438 176.300 0.004 0.000 1.069 343 R CA -1.529 54.552 56.100 -0.031 0.000 0.984 343 R CB -0.077 30.208 30.300 -0.024 0.000 1.003 343 R HN 0.444 nan 8.270 nan 0.000 0.459 344 P HA 0.102 nan 4.420 nan 0.000 0.272 344 P C -2.498 174.814 177.300 0.020 0.000 1.240 344 P CA -1.446 61.679 63.100 0.041 0.000 0.791 344 P CB -0.168 31.554 31.700 0.037 0.000 0.978 345 P HA 0.154 nan 4.420 nan 0.000 0.266 345 P C -0.513 176.789 177.300 0.003 0.000 1.195 345 P CA 0.623 63.729 63.100 0.010 0.000 0.768 345 P CB 0.120 31.827 31.700 0.012 0.000 0.838 346 A N 2.481 125.299 122.820 -0.003 0.000 2.387 346 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 346 A C -0.360 177.217 177.584 -0.010 0.000 1.165 346 A CA -0.559 51.473 52.037 -0.008 0.000 0.814 346 A CB 0.876 19.869 19.000 -0.011 0.000 1.357 346 A HN 0.542 nan 8.150 nan 0.000 0.443 347 A N -0.001 122.812 122.820 -0.012 0.000 2.507 347 A HA 0.481 4.801 4.320 -0.000 0.000 0.235 347 A C 0.735 178.308 177.584 -0.019 0.000 1.070 347 A CA 0.584 52.613 52.037 -0.014 0.000 0.768 347 A CB -0.671 18.321 19.000 -0.014 0.000 1.011 347 A HN 0.924 nan 8.150 nan 0.000 0.502 348 T N 1.568 116.111 114.554 -0.018 0.000 2.946 348 T HA 0.375 4.725 4.350 -0.000 0.000 0.311 348 T C 0.493 175.175 174.700 -0.031 0.000 1.063 348 T CA 1.051 63.137 62.100 -0.024 0.000 1.139 348 T CB -0.246 68.610 68.868 -0.019 0.000 0.994 348 T HN 0.641 nan 8.240 nan 0.000 0.547 349 I N -0.661 119.884 120.570 -0.042 0.000 2.846 349 I HA 0.604 4.774 4.170 -0.000 0.000 0.307 349 I C -0.291 175.794 176.117 -0.054 0.000 1.053 349 I CA -1.342 59.929 61.300 -0.048 0.000 1.050 349 I CB 1.743 39.708 38.000 -0.059 0.000 1.239 349 I HN 0.280 nan 8.210 nan 0.000 0.439 350 D N 3.128 123.498 120.400 -0.050 0.000 2.520 350 D HA -0.027 4.613 4.640 -0.000 0.000 0.243 350 D C 0.868 177.126 176.300 -0.070 0.000 1.160 350 D CA 0.457 54.427 54.000 -0.049 0.000 0.877 350 D CB 0.781 41.556 40.800 -0.041 0.000 1.150 350 D HN 0.687 nan 8.370 nan 0.000 0.494 351 I N 3.463 123.992 120.570 -0.068 0.000 2.361 351 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 351 I C 1.671 177.734 176.117 -0.090 0.000 1.133 351 I CA 1.145 62.392 61.300 -0.088 0.000 1.413 351 I CB 0.202 38.163 38.000 -0.066 0.000 1.073 351 I HN 0.423 nan 8.210 nan 0.000 0.424 352 E N 0.873 121.037 120.200 -0.060 0.000 2.208 352 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 352 E C 2.208 178.775 176.600 -0.055 0.000 0.988 352 E CA 1.046 57.418 56.400 -0.047 0.000 0.828 352 E CB -0.154 29.529 29.700 -0.028 0.000 0.763 352 E HN 0.653 nan 8.360 nan 0.000 0.478 353 A N 1.102 123.882 122.820 -0.066 0.000 1.898 353 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 353 A C 2.582 180.103 177.584 -0.105 0.000 1.181 353 A CA 1.214 53.210 52.037 -0.068 0.000 0.620 353 A CB -0.596 18.365 19.000 -0.064 0.000 0.819 353 A HN 0.115 nan 8.150 nan 0.000 0.442 354 V N 0.160 119.971 119.914 -0.171 0.000 2.261 354 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 354 V C 2.561 178.488 176.094 -0.278 0.000 1.047 354 V CA 1.912 64.022 62.300 -0.316 0.000 1.015 354 V CB -0.877 30.674 31.823 -0.453 0.000 0.642 354 V HN 0.569 nan 8.190 nan 0.000 0.446 355 L N -0.186 120.939 121.223 -0.163 0.000 2.043 355 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 355 L C 2.652 179.539 176.870 0.028 0.000 1.075 355 L CA 2.211 57.031 54.840 -0.033 0.000 0.752 355 L CB -0.954 41.098 42.059 -0.012 0.000 0.891 355 L HN 0.385 nan 8.230 nan 0.000 0.432 356 T N -1.312 113.241 114.554 -0.001 0.000 2.746 356 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 356 T C 1.495 176.225 174.700 0.050 0.000 1.039 356 T CA 1.638 63.751 62.100 0.022 0.000 1.142 356 T CB -0.265 68.605 68.868 0.003 0.000 0.866 356 T HN 0.388 nan 8.240 nan 0.000 0.444 357 D N -0.037 120.383 120.400 0.033 0.000 2.104 357 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 357 D C 1.461 177.906 176.300 0.241 0.000 0.994 357 D CA 1.085 55.137 54.000 0.086 0.000 0.830 357 D CB -0.205 40.605 40.800 0.016 0.000 0.959 357 D HN 0.393 nan 8.370 nan 0.000 0.452 358 W N 1.048 122.343 121.300 -0.007 0.000 2.937 358 W HA 0.197 4.857 4.660 -0.000 0.000 0.245 358 W C 0.297 176.812 176.519 -0.006 0.000 1.306 358 W CA 0.649 57.990 57.345 -0.007 0.000 1.470 358 W CB -0.277 29.179 29.460 -0.007 0.000 1.132 358 W HN 0.095 nan 8.180 nan 0.000 0.675 359 D N -1.581 118.938 120.400 0.198 0.000 2.947 359 D HA -0.114 4.526 4.640 -0.000 0.000 0.224 359 D C 0.763 177.126 176.300 0.106 0.000 1.132 359 D CA 1.245 55.312 54.000 0.111 0.000 0.801 359 D CB -1.272 39.572 40.800 0.073 0.000 1.097 359 D HN 0.250 nan 8.370 nan 0.000 0.431 360 G N 0.000 108.879 108.800 0.132 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.166 45.100 0.111 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925