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 1xfo_1_A DATA FIRST_RESID -3 DATA SEQUENCE RGSHMEVRNM VDYELLKKVV EAPGVSGYEF LGIRDVVIEE IKDYVDEVKV DATA SEQUENCE DKLGNVIAHK KGEGPKVMIA AHMDQIGLMV THIEKNGFLR VAPIGGVDPK DATA SEQUENCE TLIAQRFKVW IDKGKFIYGV GASVPXXXXX XXXXXXAPDW DQIFIDIGAE DATA SEQUENCE SKEEAEDMGV KIGTVITWDG RLERLGKHRF VSIAFDDRIA VYTILEVAKQ DATA SEQUENCE LKDAKADVYF VATVQEEVGL RGARTSAFGI EPDYGFAIDV TIAADIPGTP DATA SEQUENCE EHKQVTHLGK GTAIKIMDRS VICHPTIVRW LEELAKKHEI PYQLEILLGG DATA SEQUENCE GTDAGAIHLT KAGVPTGALS VPARYIHSNT EVVDERDVDA TVELMTKALE DATA SEQUENCE NIHELKI 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 -3 R HA 0.000 nan 4.340 nan 0.000 0.208 -3 R C 0.000 176.303 176.300 0.005 0.000 0.893 -3 R CA 0.000 56.106 56.100 0.010 0.000 0.921 -3 R CB 0.000 30.318 30.300 0.030 0.000 0.687 -2 G N 1.656 110.448 108.800 -0.013 0.000 3.213 -2 G HA2 0.299 4.259 3.960 -0.000 0.000 0.263 -2 G HA3 0.299 4.259 3.960 -0.000 0.000 0.263 -2 G C 0.174 175.047 174.900 -0.045 0.000 0.829 -2 G CA 0.095 45.184 45.100 -0.019 0.000 1.983 -2 G HN 0.066 nan 8.290 nan 0.000 0.616 -1 S N 0.165 115.827 115.700 -0.063 0.000 3.006 -1 S HA 0.234 4.704 4.470 -0.000 0.000 0.225 -1 S C 0.713 175.262 174.600 -0.086 0.000 1.097 -1 S CA -0.703 57.400 58.200 -0.161 0.000 1.260 -1 S CB -0.060 62.932 63.200 -0.347 0.000 1.085 -1 S HN 0.704 nan 8.310 nan 0.000 0.568 0 H N 1.877 120.949 119.070 0.002 0.000 3.901 0 H HA 0.131 4.687 4.556 0.000 0.000 0.233 0 H C -0.320 175.010 175.328 0.004 0.000 1.479 0 H CA -0.514 55.535 56.048 0.003 0.000 1.555 0 H CB -1.007 28.757 29.762 0.003 0.000 1.802 0 H HN 0.193 nan 8.280 nan 0.000 0.666 1 M N 2.473 122.157 119.600 0.141 0.000 2.123 1 M HA -0.242 4.238 4.480 -0.000 0.000 0.524 1 M C 0.140 176.511 176.300 0.119 0.000 1.154 1 M CA 1.478 56.836 55.300 0.097 0.000 0.573 1 M CB -0.572 32.064 32.600 0.060 0.000 1.908 1 M HN 0.703 nan 8.290 nan 0.000 0.583 2 E N 1.892 122.148 120.200 0.093 0.000 2.212 2 E HA 0.591 4.941 4.350 -0.000 0.000 0.268 2 E C -0.929 175.703 176.600 0.053 0.000 0.902 2 E CA -0.939 55.511 56.400 0.083 0.000 0.779 2 E CB 2.315 32.070 29.700 0.091 0.000 1.172 2 E HN 0.439 nan 8.360 nan 0.000 0.409 3 V N 3.378 123.319 119.914 0.045 0.000 2.364 3 V HA 0.375 4.495 4.120 -0.000 0.000 0.272 3 V C -0.042 176.075 176.094 0.039 0.000 1.036 3 V CA -0.358 61.965 62.300 0.039 0.000 0.880 3 V CB 0.595 32.437 31.823 0.031 0.000 0.991 3 V HN 0.544 nan 8.190 nan 0.000 0.460 4 R N 3.246 123.773 120.500 0.044 0.000 2.628 4 R HA 0.408 4.748 4.340 -0.000 0.000 0.288 4 R C 0.204 176.540 176.300 0.060 0.000 0.980 4 R CA -0.730 55.398 56.100 0.047 0.000 0.891 4 R CB 1.584 31.910 30.300 0.045 0.000 1.188 4 R HN 0.567 nan 8.270 nan 0.000 0.450 5 N N 1.683 120.420 118.700 0.062 0.000 2.409 5 N HA -0.037 4.703 4.740 -0.000 0.000 0.179 5 N C 0.874 176.450 175.510 0.109 0.000 1.032 5 N CA 0.738 53.837 53.050 0.080 0.000 0.898 5 N CB 0.078 38.610 38.487 0.074 0.000 0.971 5 N HN 0.601 nan 8.380 nan 0.000 0.441 6 M N -1.656 118.005 119.600 0.101 0.000 3.546 6 M HA -0.300 4.180 4.480 -0.000 0.000 0.131 6 M C -0.763 175.628 176.300 0.151 0.000 0.696 6 M CA 1.802 57.173 55.300 0.119 0.000 0.638 6 M CB -0.894 31.791 32.600 0.142 0.000 1.767 6 M HN -0.010 nan 8.290 nan 0.000 0.251 7 V N -1.399 118.616 119.914 0.168 0.000 2.638 7 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 7 V C -0.646 175.541 176.094 0.155 0.000 1.052 7 V CA -0.633 61.748 62.300 0.134 0.000 0.885 7 V CB 1.734 33.490 31.823 -0.111 0.000 0.999 7 V HN 0.354 nan 8.190 nan 0.000 0.424 8 D N 2.870 123.412 120.400 0.235 0.000 2.359 8 D HA 0.130 4.770 4.640 -0.000 0.000 0.250 8 D C 0.532 176.901 176.300 0.115 0.000 1.264 8 D CA 0.068 54.186 54.000 0.198 0.000 0.911 8 D CB 0.691 41.626 40.800 0.226 0.000 1.056 8 D HN 0.731 nan 8.370 nan 0.000 0.499 9 Y N 4.061 124.358 120.300 -0.004 0.000 2.145 9 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 9 Y C 2.113 177.995 175.900 -0.031 0.000 1.145 9 Y CA 2.354 60.420 58.100 -0.056 0.000 1.148 9 Y CB 0.186 38.662 38.460 0.025 0.000 0.981 9 Y HN 0.589 nan 8.280 nan 0.000 0.507 10 E N -0.501 119.777 120.200 0.129 0.000 2.110 10 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 10 E C 2.078 178.676 176.600 -0.005 0.000 0.988 10 E CA 1.568 58.003 56.400 0.058 0.000 0.804 10 E CB -0.802 28.963 29.700 0.108 0.000 0.745 10 E HN 0.476 nan 8.360 nan 0.000 0.458 11 L N 0.924 122.172 121.223 0.042 0.000 2.027 11 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 11 L C 2.363 179.264 176.870 0.051 0.000 1.074 11 L CA 1.393 56.281 54.840 0.081 0.000 0.745 11 L CB -0.675 41.483 42.059 0.165 0.000 0.898 11 L HN 0.278 nan 8.230 nan 0.000 0.433 12 L N 0.047 121.223 121.223 -0.079 0.000 2.042 12 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 12 L C 2.590 179.314 176.870 -0.243 0.000 1.076 12 L CA 2.178 56.852 54.840 -0.277 0.000 0.749 12 L CB -0.917 40.727 42.059 -0.692 0.000 0.893 12 L HN 0.417 nan 8.230 nan 0.000 0.432 13 K N -0.582 119.622 120.400 -0.326 0.000 2.032 13 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 13 K C 2.217 178.748 176.600 -0.115 0.000 1.048 13 K CA 1.698 57.828 56.287 -0.261 0.000 0.927 13 K CB -0.104 32.232 32.500 -0.273 0.000 0.712 13 K HN 0.297 nan 8.250 nan 0.000 0.441 14 K N 0.062 120.425 120.400 -0.063 0.000 2.044 14 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 14 K C 2.003 178.593 176.600 -0.017 0.000 1.049 14 K CA 1.745 58.022 56.287 -0.017 0.000 0.927 14 K CB -0.063 32.442 32.500 0.009 0.000 0.713 14 K HN 0.046 nan 8.250 nan 0.000 0.443 15 V N 1.016 120.923 119.914 -0.012 0.000 2.407 15 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 15 V C 2.280 178.363 176.094 -0.019 0.000 1.041 15 V CA 1.586 63.889 62.300 0.004 0.000 1.040 15 V CB -0.171 31.684 31.823 0.053 0.000 0.671 15 V HN 0.222 nan 8.190 nan 0.000 0.455 16 V N -1.481 118.401 119.914 -0.054 0.000 2.667 16 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 16 V C 1.836 177.889 176.094 -0.069 0.000 1.065 16 V CA 1.732 63.980 62.300 -0.086 0.000 1.083 16 V CB -0.687 31.020 31.823 -0.195 0.000 0.692 16 V HN 0.606 nan 8.190 nan 0.000 0.468 17 E N 1.126 121.295 120.200 -0.053 0.000 2.474 17 E HA 0.420 4.770 4.350 -0.000 0.000 0.194 17 E C 1.105 177.705 176.600 -0.001 0.000 1.041 17 E CA 0.371 56.760 56.400 -0.017 0.000 0.874 17 E CB 0.326 30.020 29.700 -0.008 0.000 0.914 17 E HN 0.724 nan 8.360 nan 0.000 0.498 18 A N 3.417 126.217 122.820 -0.033 0.000 2.450 18 A HA 0.232 4.552 4.320 -0.000 0.000 0.255 18 A C -2.213 175.277 177.584 -0.155 0.000 1.096 18 A CA -1.252 50.735 52.037 -0.084 0.000 0.778 18 A CB -0.060 18.896 19.000 -0.072 0.000 1.031 18 A HN -0.081 nan 8.150 nan 0.000 0.494 19 P HA 0.404 nan 4.420 nan 0.000 0.275 19 P C 0.104 177.186 177.300 -0.364 0.000 1.228 19 P CA 0.081 62.889 63.100 -0.487 0.000 0.786 19 P CB 1.346 32.252 31.700 -1.324 0.000 0.927 20 G N 1.304 109.962 108.800 -0.237 0.000 4.377 20 G HA2 0.259 4.219 3.960 -0.000 0.000 0.251 20 G HA3 0.259 4.219 3.960 -0.000 0.000 0.251 20 G C -0.755 174.115 174.900 -0.049 0.000 2.912 20 G CA -0.245 44.768 45.100 -0.144 0.000 0.606 20 G HN 0.353 nan 8.290 nan 0.000 0.282 21 V N 1.100 120.981 119.914 -0.054 0.000 2.924 21 V HA 0.289 4.409 4.120 -0.000 0.000 0.305 21 V C 1.237 177.386 176.094 0.091 0.000 1.073 21 V CA -0.047 62.263 62.300 0.017 0.000 1.098 21 V CB 1.540 33.353 31.823 -0.018 0.000 1.000 21 V HN 0.637 nan 8.190 nan 0.000 0.484 22 S N 3.040 118.797 115.700 0.095 0.000 2.593 22 S HA 0.283 4.753 4.470 -0.000 0.000 0.300 22 S C 1.313 176.019 174.600 0.176 0.000 1.267 22 S CA 0.524 58.789 58.200 0.108 0.000 1.065 22 S CB 0.076 63.318 63.200 0.070 0.000 0.807 22 S HN 1.591 nan 8.310 nan 0.000 0.499 23 G N 2.276 111.142 108.800 0.109 0.000 2.253 23 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 23 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 23 G C 0.141 174.940 174.900 -0.167 0.000 0.998 23 G CA 0.288 45.391 45.100 0.004 0.000 0.621 23 G HN 0.747 nan 8.290 nan 0.000 0.524 24 Y N 0.627 120.963 120.300 0.059 0.000 2.698 24 Y HA 0.447 4.997 4.550 -0.000 0.000 0.261 24 Y C 1.637 177.346 175.900 -0.319 0.000 1.104 24 Y CA 0.141 58.170 58.100 -0.119 0.000 1.145 24 Y CB 0.672 39.015 38.460 -0.195 0.000 1.191 24 Y HN 0.260 nan 8.280 nan 0.000 0.564 25 E N 0.126 120.325 120.200 -0.002 0.000 2.204 25 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 25 E C 1.574 178.139 176.600 -0.059 0.000 0.989 25 E CA 1.384 57.769 56.400 -0.026 0.000 0.824 25 E CB -0.434 29.300 29.700 0.057 0.000 0.756 25 E HN 0.705 nan 8.360 nan 0.000 0.477 26 F N -0.384 119.551 119.950 -0.025 0.000 2.408 26 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 26 F C 1.471 177.255 175.800 -0.027 0.000 1.090 26 F CA 0.663 58.648 58.000 -0.025 0.000 1.427 26 F CB -0.453 38.527 39.000 -0.034 0.000 1.070 26 F HN -0.074 nan 8.300 nan 0.000 0.549 27 L N 0.127 120.920 121.223 -0.717 0.000 2.376 27 L HA 0.157 4.497 4.340 -0.000 0.000 0.219 27 L C 2.167 178.840 176.870 -0.329 0.000 1.133 27 L CA 1.162 55.672 54.840 -0.551 0.000 0.816 27 L CB -0.511 41.160 42.059 -0.647 0.000 0.933 27 L HN 0.589 nan 8.230 nan 0.000 0.449 28 G N -1.200 107.441 108.800 -0.265 0.000 4.032 28 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.209 28 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.209 28 G C 0.822 175.654 174.900 -0.112 0.000 1.510 28 G CA 0.103 45.082 45.100 -0.201 0.000 0.955 28 G HN -0.007 nan 8.290 nan 0.000 0.583 29 I N 1.865 122.368 120.570 -0.112 0.000 2.286 29 I HA 0.090 4.260 4.170 -0.000 0.000 0.248 29 I C 2.488 178.599 176.117 -0.009 0.000 1.115 29 I CA 1.751 63.021 61.300 -0.050 0.000 1.392 29 I CB -0.277 37.701 38.000 -0.037 0.000 1.065 29 I HN 0.241 nan 8.210 nan 0.000 0.418 30 R N 0.351 120.853 120.500 0.004 0.000 2.096 30 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 30 R C 1.769 178.092 176.300 0.037 0.000 1.139 30 R CA 2.288 58.412 56.100 0.040 0.000 0.952 30 R CB -0.452 29.893 30.300 0.075 0.000 0.854 30 R HN 0.387 nan 8.270 nan 0.000 0.436 31 D N -0.292 120.124 120.400 0.028 0.000 2.183 31 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 31 D C 1.968 178.282 176.300 0.023 0.000 0.969 31 D CA 0.745 54.763 54.000 0.029 0.000 0.842 31 D CB 0.010 40.827 40.800 0.028 0.000 0.957 31 D HN 0.106 nan 8.370 nan 0.000 0.484 32 V N 0.789 120.712 119.914 0.014 0.000 2.295 32 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 32 V C 2.663 178.771 176.094 0.022 0.000 1.049 32 V CA 1.032 63.341 62.300 0.015 0.000 1.024 32 V CB -0.421 31.406 31.823 0.006 0.000 0.648 32 V HN 0.053 nan 8.190 nan 0.000 0.447 33 V N -0.087 119.841 119.914 0.024 0.000 2.295 33 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 33 V C 2.189 178.304 176.094 0.035 0.000 1.049 33 V CA 2.312 64.629 62.300 0.029 0.000 1.024 33 V CB -0.511 31.335 31.823 0.039 0.000 0.648 33 V HN 0.435 nan 8.190 nan 0.000 0.447 34 I N -0.009 120.585 120.570 0.040 0.000 2.127 34 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 34 I C 2.630 178.766 176.117 0.032 0.000 1.075 34 I CA 2.198 63.522 61.300 0.041 0.000 1.334 34 I CB -0.408 37.616 38.000 0.041 0.000 1.040 34 I HN 0.416 nan 8.210 nan 0.000 0.405 35 E N 0.849 121.066 120.200 0.028 0.000 2.077 35 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 35 E C 1.877 178.495 176.600 0.031 0.000 0.989 35 E CA 1.220 57.633 56.400 0.022 0.000 0.800 35 E CB 0.148 29.861 29.700 0.023 0.000 0.746 35 E HN 0.370 nan 8.360 nan 0.000 0.452 36 E N -0.045 120.181 120.200 0.044 0.000 2.435 36 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 36 E C 1.769 178.444 176.600 0.126 0.000 1.029 36 E CA 0.394 56.838 56.400 0.073 0.000 0.865 36 E CB 0.336 30.061 29.700 0.042 0.000 0.833 36 E HN 0.439 nan 8.360 nan 0.000 0.510 37 I N 0.844 121.467 120.570 0.088 0.000 3.939 37 I HA -0.072 4.098 4.170 -0.000 0.000 0.313 37 I C 2.103 178.278 176.117 0.097 0.000 1.274 37 I CA 0.194 61.565 61.300 0.117 0.000 1.301 37 I CB 0.244 38.260 38.000 0.026 0.000 1.105 37 I HN -0.072 nan 8.210 nan 0.000 0.427 38 K N -0.040 120.375 120.400 0.025 0.000 2.152 38 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 38 K C 0.909 177.449 176.600 -0.100 0.000 1.048 38 K CA 1.730 58.007 56.287 -0.017 0.000 0.933 38 K CB -0.355 32.134 32.500 -0.018 0.000 0.721 38 K HN 0.222 nan 8.250 nan 0.000 0.447 39 D N 0.031 120.281 120.400 -0.251 0.000 2.317 39 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 39 D C 0.733 176.701 176.300 -0.555 0.000 0.966 39 D CA 0.878 54.594 54.000 -0.472 0.000 0.876 39 D CB 0.051 40.425 40.800 -0.711 0.000 0.927 39 D HN 0.404 nan 8.370 nan 0.000 0.519 40 Y N -0.221 120.054 120.300 -0.041 0.000 2.467 40 Y HA 0.159 4.709 4.550 0.000 0.000 0.250 40 Y C 0.820 176.707 175.900 -0.021 0.000 1.155 40 Y CA -0.504 57.568 58.100 -0.047 0.000 1.249 40 Y CB 0.460 38.867 38.460 -0.089 0.000 1.146 40 Y HN -0.234 nan 8.280 nan 0.000 0.524 41 V N -4.582 115.374 119.914 0.069 0.000 3.141 41 V HA 0.472 4.592 4.120 -0.000 0.000 0.312 41 V C 0.192 176.276 176.094 -0.016 0.000 1.157 41 V CA -0.889 61.442 62.300 0.053 0.000 1.041 41 V CB 2.169 34.058 31.823 0.109 0.000 1.071 41 V HN -0.126 nan 8.190 nan 0.000 0.441 42 D N 0.231 120.593 120.400 -0.064 0.000 2.305 42 D HA 0.159 4.799 4.640 -0.000 0.000 0.206 42 D C 0.392 176.671 176.300 -0.034 0.000 0.974 42 D CA 1.227 55.181 54.000 -0.077 0.000 0.871 42 D CB 0.951 41.661 40.800 -0.150 0.000 0.947 42 D HN 0.819 nan 8.370 nan 0.000 0.516 43 E N 0.197 120.396 120.200 -0.001 0.000 2.388 43 E HA 0.291 4.641 4.350 -0.000 0.000 0.289 43 E C -1.910 174.741 176.600 0.085 0.000 0.944 43 E CA -0.382 56.048 56.400 0.050 0.000 0.792 43 E CB 2.147 31.903 29.700 0.094 0.000 1.239 43 E HN -0.300 nan 8.360 nan 0.000 0.412 44 V N 3.960 123.919 119.914 0.076 0.000 2.540 44 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 44 V C -0.485 175.659 176.094 0.083 0.000 1.035 44 V CA -0.720 61.634 62.300 0.090 0.000 0.873 44 V CB 1.802 33.667 31.823 0.072 0.000 0.992 44 V HN 0.584 nan 8.190 nan 0.000 0.428 45 K N 2.442 122.901 120.400 0.098 0.000 2.426 45 K HA 0.771 5.091 4.320 -0.000 0.000 0.251 45 K C -1.225 175.422 176.600 0.078 0.000 0.941 45 K CA -0.816 55.519 56.287 0.081 0.000 0.808 45 K CB 2.887 35.438 32.500 0.085 0.000 1.265 45 K HN 0.571 nan 8.250 nan 0.000 0.432 46 V N 0.919 120.868 119.914 0.058 0.000 2.459 46 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 46 V C -0.489 175.628 176.094 0.038 0.000 1.029 46 V CA -0.535 61.797 62.300 0.053 0.000 0.874 46 V CB 1.216 33.068 31.823 0.048 0.000 0.985 46 V HN 0.887 nan 8.190 nan 0.000 0.438 47 D N 4.675 125.098 120.400 0.039 0.000 2.469 47 D HA 0.243 4.883 4.640 -0.000 0.000 0.278 47 D C 0.823 177.126 176.300 0.004 0.000 1.231 47 D CA -0.241 53.774 54.000 0.025 0.000 1.075 47 D CB 0.703 41.522 40.800 0.033 0.000 1.121 47 D HN 0.513 nan 8.370 nan 0.000 0.571 48 K N -1.247 119.150 120.400 -0.006 0.000 2.148 48 K HA 0.081 4.401 4.320 -0.000 0.000 0.204 48 K C 1.783 178.361 176.600 -0.037 0.000 1.050 48 K CA 0.828 57.100 56.287 -0.026 0.000 0.942 48 K CB -0.148 32.334 32.500 -0.030 0.000 0.724 48 K HN 0.325 nan 8.250 nan 0.000 0.446 49 L N -0.889 120.320 121.223 -0.023 0.000 2.592 49 L HA 0.151 4.491 4.340 -0.000 0.000 0.227 49 L C 0.975 177.839 176.870 -0.009 0.000 1.127 49 L CA 0.356 55.180 54.840 -0.026 0.000 0.884 49 L CB 0.383 42.432 42.059 -0.017 0.000 1.065 49 L HN 0.448 nan 8.230 nan 0.000 0.457 50 G N -0.325 108.478 108.800 0.004 0.000 2.163 50 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 50 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 50 G C 0.048 174.982 174.900 0.056 0.000 0.991 50 G CA -0.576 44.541 45.100 0.029 0.000 0.653 50 G HN 0.311 nan 8.290 nan 0.000 0.518 51 N N 0.359 119.093 118.700 0.056 0.000 2.412 51 N HA 0.248 4.988 4.740 -0.000 0.000 0.254 51 N C 0.386 175.947 175.510 0.084 0.000 1.232 51 N CA 0.413 53.509 53.050 0.077 0.000 0.880 51 N CB 1.613 40.146 38.487 0.077 0.000 1.076 51 N HN 0.125 nan 8.380 nan 0.000 0.458 52 V N 4.288 124.262 119.914 0.099 0.000 2.385 52 V HA 0.289 4.409 4.120 -0.000 0.000 0.269 52 V C 0.618 176.795 176.094 0.137 0.000 1.043 52 V CA -0.398 61.966 62.300 0.106 0.000 0.906 52 V CB 0.349 32.230 31.823 0.097 0.000 0.995 52 V HN 0.439 nan 8.190 nan 0.000 0.467 53 I N 4.784 125.442 120.570 0.147 0.000 2.354 53 I HA 0.603 4.773 4.170 -0.000 0.000 0.286 53 I C 0.346 176.590 176.117 0.212 0.000 1.007 53 I CA -0.276 61.144 61.300 0.199 0.000 1.167 53 I CB 1.501 39.620 38.000 0.198 0.000 1.320 53 I HN 0.640 nan 8.210 nan 0.000 0.458 54 A N 6.301 129.270 122.820 0.247 0.000 2.267 54 A HA 0.376 4.696 4.320 -0.000 0.000 0.315 54 A C -0.777 176.953 177.584 0.243 0.000 1.297 54 A CA -0.383 51.797 52.037 0.237 0.000 0.865 54 A CB 0.175 19.320 19.000 0.242 0.000 1.165 54 A HN 0.816 nan 8.150 nan 0.000 0.513 55 H N 2.655 121.714 119.070 -0.018 0.000 2.541 55 H HA 0.452 5.008 4.556 -0.000 0.000 0.316 55 H C -0.748 174.477 175.328 -0.171 0.000 1.043 55 H CA -0.627 55.244 56.048 -0.296 0.000 1.232 55 H CB 0.879 30.388 29.762 -0.422 0.000 1.406 55 H HN 0.515 nan 8.280 nan 0.000 0.469 56 K N 5.565 125.786 120.400 -0.299 0.000 2.347 56 K HA 0.199 4.519 4.320 -0.000 0.000 0.262 56 K C -0.726 175.616 176.600 -0.430 0.000 1.052 56 K CA -0.701 55.426 56.287 -0.266 0.000 0.946 56 K CB 0.356 32.864 32.500 0.012 0.000 1.220 56 K HN 0.501 nan 8.250 nan 0.000 0.450 57 K N 1.894 121.947 120.400 -0.580 0.000 2.436 57 K HA 0.396 4.716 4.320 -0.000 0.000 0.275 57 K C 0.215 176.717 176.600 -0.162 0.000 0.999 57 K CA 0.066 56.108 56.287 -0.410 0.000 0.980 57 K CB 0.895 33.206 32.500 -0.315 0.000 0.919 57 K HN 0.774 nan 8.250 nan 0.000 0.484 58 G N 1.102 109.859 108.800 -0.072 0.000 2.576 58 G HA2 0.147 4.107 3.960 -0.000 0.000 0.290 58 G HA3 0.147 4.107 3.960 -0.000 0.000 0.290 58 G C -1.525 173.375 174.900 -0.001 0.000 1.442 58 G CA -0.725 44.353 45.100 -0.036 0.000 0.792 58 G HN 0.393 nan 8.290 nan 0.000 0.491 59 E N 0.452 120.646 120.200 -0.010 0.000 2.014 59 E HA 0.557 4.907 4.350 -0.000 0.000 0.275 59 E C 0.344 176.951 176.600 0.011 0.000 0.997 59 E CA 0.197 56.600 56.400 0.004 0.000 0.804 59 E CB 1.241 30.936 29.700 -0.008 0.000 1.090 59 E HN 1.102 nan 8.360 nan 0.000 0.401 60 G N 3.608 112.435 108.800 0.044 0.000 2.317 60 G HA2 0.171 4.131 3.960 -0.000 0.000 0.293 60 G HA3 0.171 4.131 3.960 -0.000 0.000 0.293 60 G C -2.958 172.001 174.900 0.099 0.000 1.287 60 G CA -0.897 44.249 45.100 0.077 0.000 0.850 60 G HN 0.203 nan 8.290 nan 0.000 0.515 61 P HA 0.254 nan 4.420 nan 0.000 0.269 61 P C -0.693 176.701 177.300 0.156 0.000 1.215 61 P CA 0.030 63.220 63.100 0.150 0.000 0.780 61 P CB 0.852 32.732 31.700 0.299 0.000 0.898 62 K N 1.348 121.814 120.400 0.110 0.000 2.316 62 K HA 0.323 4.643 4.320 -0.000 0.000 0.289 62 K C -0.846 175.850 176.600 0.159 0.000 1.070 62 K CA -0.344 56.028 56.287 0.141 0.000 0.928 62 K CB 0.154 32.687 32.500 0.055 0.000 1.039 62 K HN 0.182 nan 8.250 nan 0.000 0.480 63 V N 5.741 125.788 119.914 0.221 0.000 2.487 63 V HA 0.346 4.466 4.120 -0.000 0.000 0.298 63 V C -0.282 175.935 176.094 0.206 0.000 1.028 63 V CA -0.872 61.574 62.300 0.245 0.000 0.860 63 V CB 1.514 33.501 31.823 0.273 0.000 0.991 63 V HN 0.820 nan 8.190 nan 0.000 0.427 64 M N 6.010 125.720 119.600 0.185 0.000 2.238 64 M HA 0.686 5.166 4.480 -0.000 0.000 0.350 64 M C -1.752 174.680 176.300 0.221 0.000 1.138 64 M CA -0.376 55.019 55.300 0.159 0.000 1.040 64 M CB 1.115 33.762 32.600 0.079 0.000 1.639 64 M HN 0.572 nan 8.290 nan 0.000 0.451 65 I N 5.105 125.787 120.570 0.186 0.000 2.411 65 I HA 0.540 4.710 4.170 -0.000 0.000 0.284 65 I C -0.474 175.790 176.117 0.246 0.000 1.012 65 I CA -0.190 61.259 61.300 0.248 0.000 1.119 65 I CB 1.791 39.925 38.000 0.223 0.000 1.261 65 I HN 0.736 nan 8.210 nan 0.000 0.448 66 A N 4.918 127.875 122.820 0.229 0.000 2.304 66 A HA 0.959 5.279 4.320 -0.000 0.000 0.323 66 A C -0.417 177.286 177.584 0.198 0.000 1.195 66 A CA -0.511 51.649 52.037 0.204 0.000 0.826 66 A CB 1.090 20.197 19.000 0.179 0.000 1.184 66 A HN 0.812 nan 8.150 nan 0.000 0.496 67 A N 2.426 125.355 122.820 0.181 0.000 2.353 67 A HA 0.629 4.949 4.320 -0.000 0.000 0.299 67 A C -0.456 177.214 177.584 0.143 0.000 1.089 67 A CA -0.674 51.448 52.037 0.141 0.000 0.736 67 A CB 0.201 19.260 19.000 0.099 0.000 1.195 67 A HN 1.449 nan 8.150 nan 0.000 0.447 68 H N 0.996 120.134 119.070 0.114 0.000 2.767 68 H HA 0.448 5.004 4.556 -0.000 0.000 0.316 68 H C 0.710 176.096 175.328 0.097 0.000 1.059 68 H CA 0.045 56.155 56.048 0.104 0.000 1.461 68 H CB 0.559 30.383 29.762 0.104 0.000 1.475 68 H HN 0.657 nan 8.280 nan 0.000 0.531 69 M N 0.883 120.573 119.600 0.149 0.000 2.502 69 M HA 0.113 4.593 4.480 -0.000 0.000 0.243 69 M C -0.443 175.928 176.300 0.118 0.000 1.130 69 M CA -0.396 54.954 55.300 0.082 0.000 1.055 69 M CB 0.283 32.925 32.600 0.071 0.000 1.457 69 M HN 0.587 nan 8.290 nan 0.000 0.488 70 D N 2.746 123.283 120.400 0.229 0.000 2.341 70 D HA 0.119 4.759 4.640 -0.000 0.000 0.245 70 D C -0.639 175.813 176.300 0.254 0.000 1.106 70 D CA -0.146 53.977 54.000 0.206 0.000 0.905 70 D CB 0.842 41.745 40.800 0.172 0.000 1.202 70 D HN 0.637 nan 8.370 nan 0.000 0.426 71 Q N 0.824 120.716 119.800 0.153 0.000 2.351 71 Q HA 0.522 4.862 4.340 -0.000 0.000 0.273 71 Q C 0.321 176.385 176.000 0.106 0.000 1.077 71 Q CA -1.186 54.713 55.803 0.159 0.000 0.843 71 Q CB 1.810 30.622 28.738 0.124 0.000 1.367 71 Q HN 0.659 nan 8.270 nan 0.000 0.449 72 I N -1.622 119.002 120.570 0.090 0.000 2.779 72 I HA 0.760 4.929 4.170 -0.000 0.000 0.285 72 I C 0.136 176.232 176.117 -0.035 0.000 1.134 72 I CA 0.047 61.343 61.300 -0.006 0.000 1.398 72 I CB 0.702 38.639 38.000 -0.106 0.000 1.404 72 I HN 0.874 nan 8.210 nan 0.000 0.587 73 G N 4.765 113.506 108.800 -0.098 0.000 2.500 73 G HA2 0.552 4.512 3.960 -0.000 0.000 0.299 73 G HA3 0.552 4.512 3.960 -0.000 0.000 0.299 73 G C -1.447 173.359 174.900 -0.155 0.000 1.242 73 G CA -1.021 43.983 45.100 -0.160 0.000 0.859 73 G HN 0.652 nan 8.290 nan 0.000 0.481 74 L N 0.091 121.223 121.223 -0.152 0.000 2.333 74 L HA 0.789 5.129 4.340 -0.000 0.000 0.263 74 L C -0.488 176.300 176.870 -0.136 0.000 1.014 74 L CA -0.784 53.966 54.840 -0.150 0.000 0.820 74 L CB 2.481 44.422 42.059 -0.196 0.000 1.352 74 L HN 0.601 nan 8.230 nan 0.000 0.421 75 M N 1.475 120.995 119.600 -0.133 0.000 2.326 75 M HA 0.470 4.950 4.480 -0.000 0.000 0.306 75 M C -1.311 174.936 176.300 -0.087 0.000 1.054 75 M CA -0.729 54.497 55.300 -0.124 0.000 0.922 75 M CB 2.161 34.685 32.600 -0.127 0.000 1.632 75 M HN 0.279 nan 8.290 nan 0.000 0.436 76 V N 4.344 124.217 119.914 -0.069 0.000 2.485 76 V HA 0.074 4.194 4.120 -0.000 0.000 0.287 76 V C 1.194 177.283 176.094 -0.008 0.000 1.022 76 V CA 0.745 63.027 62.300 -0.029 0.000 1.067 76 V CB 0.567 32.374 31.823 -0.026 0.000 0.967 76 V HN 1.062 nan 8.190 nan 0.000 0.479 77 T N 0.871 115.442 114.554 0.028 0.000 3.015 77 T HA 0.174 4.524 4.350 -0.000 0.000 0.250 77 T C 0.348 175.129 174.700 0.135 0.000 1.057 77 T CA 0.317 62.449 62.100 0.053 0.000 1.066 77 T CB 0.012 68.905 68.868 0.041 0.000 0.959 77 T HN 0.739 nan 8.240 nan 0.000 0.488 78 H N -0.775 118.301 119.070 0.011 0.000 3.121 78 H HA 0.551 5.107 4.556 0.000 0.000 0.337 78 H C -2.109 173.237 175.328 0.031 0.000 1.198 78 H CA -0.939 55.120 56.048 0.020 0.000 1.274 78 H CB 1.180 30.957 29.762 0.026 0.000 1.954 78 H HN 0.169 nan 8.280 nan 0.000 0.531 79 I N 4.147 124.443 120.570 -0.456 0.000 2.355 79 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 79 I C 0.023 175.954 176.117 -0.310 0.000 0.999 79 I CA -0.839 60.314 61.300 -0.246 0.000 1.163 79 I CB 1.350 39.249 38.000 -0.169 0.000 1.316 79 I HN 0.477 nan 8.210 nan 0.000 0.454 80 E N 5.405 125.610 120.200 0.009 0.000 2.409 80 E HA 0.084 4.434 4.350 -0.000 0.000 0.257 80 E C 0.776 177.406 176.600 0.050 0.000 1.150 80 E CA -0.119 56.356 56.400 0.125 0.000 0.942 80 E CB 0.945 30.773 29.700 0.214 0.000 0.979 80 E HN 0.461 nan 8.360 nan 0.000 0.447 81 K N 0.905 121.350 120.400 0.075 0.000 2.113 81 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 81 K C 1.015 177.629 176.600 0.024 0.000 1.047 81 K CA 1.532 57.842 56.287 0.038 0.000 0.928 81 K CB -0.117 32.411 32.500 0.047 0.000 0.716 81 K HN 0.388 nan 8.250 nan 0.000 0.446 82 N N -0.913 117.826 118.700 0.066 0.000 2.276 82 N HA 0.069 4.809 4.740 -0.000 0.000 0.212 82 N C 0.280 175.684 175.510 -0.177 0.000 1.127 82 N CA 0.237 53.294 53.050 0.013 0.000 0.834 82 N CB 1.252 39.822 38.487 0.139 0.000 1.014 82 N HN 0.296 nan 8.380 nan 0.000 0.491 83 G N 0.203 108.926 108.800 -0.129 0.000 2.176 83 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 83 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 83 G C -0.037 174.719 174.900 -0.241 0.000 0.979 83 G CA -0.422 44.555 45.100 -0.205 0.000 0.641 83 G HN 0.214 nan 8.290 nan 0.000 0.530 84 F N 0.621 120.560 119.950 -0.019 0.000 2.410 84 F HA 0.635 5.162 4.527 0.000 0.000 0.334 84 F C 1.216 177.044 175.800 0.046 0.000 1.134 84 F CA -0.408 57.602 58.000 0.017 0.000 1.227 84 F CB 0.679 39.621 39.000 -0.097 0.000 1.194 84 F HN -0.038 nan 8.300 nan 0.000 0.571 85 L N 3.728 125.123 121.223 0.286 0.000 2.317 85 L HA 0.576 4.916 4.340 -0.000 0.000 0.281 85 L C -0.091 176.907 176.870 0.214 0.000 1.024 85 L CA -1.126 53.819 54.840 0.174 0.000 0.810 85 L CB 1.260 43.372 42.059 0.090 0.000 1.240 85 L HN 0.455 nan 8.230 nan 0.000 0.427 86 R N 1.905 122.515 120.500 0.183 0.000 2.598 86 R HA 0.766 5.106 4.340 -0.000 0.000 0.279 86 R C -0.680 175.685 176.300 0.108 0.000 0.984 86 R CA -0.680 55.525 56.100 0.175 0.000 0.999 86 R CB 2.303 32.715 30.300 0.186 0.000 1.114 86 R HN 0.524 nan 8.270 nan 0.000 0.493 87 V N -2.317 117.661 119.914 0.107 0.000 3.078 87 V HA 0.954 5.074 4.120 -0.000 0.000 0.311 87 V C -0.673 175.419 176.094 -0.003 0.000 1.138 87 V CA -1.228 61.097 62.300 0.043 0.000 1.007 87 V CB 2.090 33.926 31.823 0.021 0.000 1.045 87 V HN 0.837 nan 8.190 nan 0.000 0.432 88 A N 3.146 125.881 122.820 -0.142 0.000 2.355 88 A HA 1.023 5.343 4.320 -0.000 0.000 0.324 88 A C -2.870 174.453 177.584 -0.434 0.000 1.117 88 A CA -2.073 49.749 52.037 -0.359 0.000 0.785 88 A CB 1.648 20.496 19.000 -0.254 0.000 1.254 88 A HN 0.790 nan 8.150 nan 0.000 0.453 89 P HA 0.345 nan 4.420 nan 0.000 0.275 89 P C -0.885 176.267 177.300 -0.246 0.000 1.227 89 P CA 0.180 63.011 63.100 -0.449 0.000 0.781 89 P CB 0.668 32.052 31.700 -0.527 0.000 0.906 90 I N 2.168 122.650 120.570 -0.147 0.000 2.330 90 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 90 I C 1.061 177.137 176.117 -0.068 0.000 1.025 90 I CA 0.159 61.406 61.300 -0.088 0.000 1.197 90 I CB 0.432 38.400 38.000 -0.054 0.000 1.358 90 I HN 0.654 nan 8.210 nan 0.000 0.467 91 G N 4.258 113.023 108.800 -0.057 0.000 2.725 91 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 91 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 91 G C 0.156 175.034 174.900 -0.037 0.000 1.357 91 G CA -0.448 44.626 45.100 -0.045 0.000 0.866 91 G HN 0.957 nan 8.290 nan 0.000 0.548 92 G N -0.490 108.293 108.800 -0.029 0.000 2.865 92 G HA2 0.599 4.559 3.960 -0.000 0.000 0.292 92 G HA3 0.599 4.559 3.960 -0.000 0.000 0.292 92 G C 0.064 175.020 174.900 0.094 0.000 0.800 92 G CA 0.446 45.594 45.100 0.080 0.000 1.838 92 G HN 1.267 nan 8.290 nan 0.000 0.535 93 V N 2.485 122.505 119.914 0.177 0.000 2.439 93 V HA 0.224 4.344 4.120 -0.000 0.000 0.282 93 V C -0.282 176.054 176.094 0.403 0.000 1.039 93 V CA -0.932 61.546 62.300 0.296 0.000 0.913 93 V CB 1.857 33.878 31.823 0.329 0.000 0.983 93 V HN 0.568 nan 8.190 nan 0.000 0.460 94 D N 6.234 126.822 120.400 0.314 0.000 2.317 94 D HA 0.320 4.960 4.640 -0.000 0.000 0.234 94 D C -1.658 174.673 176.300 0.051 0.000 1.112 94 D CA -2.180 51.936 54.000 0.193 0.000 0.840 94 D CB 2.232 43.138 40.800 0.178 0.000 1.078 94 D HN 0.168 nan 8.370 nan 0.000 0.486 95 P HA -0.200 nan 4.420 nan 0.000 0.217 95 P C 1.071 178.256 177.300 -0.192 0.000 1.148 95 P CA 1.607 64.409 63.100 -0.498 0.000 0.834 95 P CB 0.052 31.299 31.700 -0.755 0.000 0.783 96 K N -0.189 120.158 120.400 -0.089 0.000 2.439 96 K HA -0.047 4.273 4.320 -0.000 0.000 0.197 96 K C 1.248 177.865 176.600 0.028 0.000 1.041 96 K CA 1.601 57.866 56.287 -0.037 0.000 0.970 96 K CB -0.910 31.573 32.500 -0.029 0.000 0.773 96 K HN 0.161 nan 8.250 nan 0.000 0.479 97 T N -1.433 113.187 114.554 0.110 0.000 3.169 97 T HA 0.174 4.524 4.350 -0.000 0.000 0.250 97 T C 1.357 176.299 174.700 0.404 0.000 1.111 97 T CA -0.109 62.111 62.100 0.200 0.000 1.010 97 T CB -0.088 68.955 68.868 0.291 0.000 0.984 97 T HN 0.227 nan 8.240 nan 0.000 0.537 98 L N -0.122 121.286 121.223 0.308 0.000 2.638 98 L HA 0.425 4.765 4.340 -0.000 0.000 0.232 98 L C 0.225 177.261 176.870 0.276 0.000 1.099 98 L CA -0.400 54.708 54.840 0.446 0.000 0.883 98 L CB 0.129 42.336 42.059 0.247 0.000 1.136 98 L HN 0.220 nan 8.230 nan 0.000 0.492 99 I N 1.814 122.445 120.570 0.103 0.000 2.496 99 I HA 0.138 4.308 4.170 -0.000 0.000 0.285 99 I C 1.297 177.430 176.117 0.027 0.000 1.080 99 I CA 0.029 61.340 61.300 0.018 0.000 1.404 99 I CB 0.469 38.449 38.000 -0.033 0.000 1.403 99 I HN 0.215 nan 8.210 nan 0.000 0.539 100 A N 5.684 128.514 122.820 0.015 0.000 2.687 100 A HA -0.196 4.124 4.320 -0.000 0.000 0.299 100 A C 0.318 177.903 177.584 0.001 0.000 1.497 100 A CA 0.723 52.764 52.037 0.008 0.000 0.751 100 A CB -1.572 17.419 19.000 -0.015 0.000 1.048 100 A HN 0.714 nan 8.150 nan 0.000 0.464 101 Q N -1.163 118.657 119.800 0.034 0.000 2.387 101 Q HA 0.633 4.973 4.340 -0.000 0.000 0.273 101 Q C -0.104 175.814 176.000 -0.137 0.000 1.089 101 Q CA -0.732 55.019 55.803 -0.087 0.000 0.824 101 Q CB 1.606 30.271 28.738 -0.121 0.000 1.367 101 Q HN 0.610 nan 8.270 nan 0.000 0.443 102 R N 0.593 120.971 120.500 -0.203 0.000 2.457 102 R HA 0.613 4.953 4.340 -0.000 0.000 0.284 102 R C -0.640 175.479 176.300 -0.301 0.000 1.024 102 R CA 0.051 56.088 56.100 -0.105 0.000 1.025 102 R CB 0.708 30.982 30.300 -0.044 0.000 1.063 102 R HN 0.350 nan 8.270 nan 0.000 0.493 103 F N 0.061 120.100 119.950 0.148 0.000 2.593 103 F HA 0.472 4.999 4.527 -0.000 0.000 0.320 103 F C 0.088 175.881 175.800 -0.012 0.000 1.060 103 F CA -0.981 57.059 58.000 0.065 0.000 0.940 103 F CB 1.873 40.870 39.000 -0.005 0.000 1.268 103 F HN 0.079 nan 8.300 nan 0.000 0.475 104 K N 1.761 122.142 120.400 -0.032 0.000 2.293 104 K HA 0.547 4.867 4.320 -0.000 0.000 0.267 104 K C -1.345 174.955 176.600 -0.499 0.000 1.010 104 K CA -0.585 55.384 56.287 -0.530 0.000 0.875 104 K CB 1.796 33.612 32.500 -1.140 0.000 1.106 104 K HN 0.297 nan 8.250 nan 0.000 0.450 105 V N 3.778 123.482 119.914 -0.349 0.000 2.348 105 V HA 0.159 4.279 4.120 -0.000 0.000 0.270 105 V C -0.687 175.256 176.094 -0.252 0.000 1.037 105 V CA -0.796 61.380 62.300 -0.208 0.000 0.872 105 V CB 0.066 31.845 31.823 -0.074 0.000 1.002 105 V HN 0.683 nan 8.190 nan 0.000 0.464 106 W N 6.082 127.393 121.300 0.019 0.000 2.497 106 W HA 0.375 5.035 4.660 -0.000 0.000 0.354 106 W C 1.385 177.903 176.519 -0.002 0.000 1.111 106 W CA -0.655 56.705 57.345 0.024 0.000 1.510 106 W CB 0.429 29.874 29.460 -0.025 0.000 1.466 106 W HN 0.683 nan 8.180 nan 0.000 0.409 107 I N -1.361 119.302 120.570 0.154 0.000 3.226 107 I HA 0.169 4.339 4.170 -0.000 0.000 0.277 107 I C 0.372 176.553 176.117 0.107 0.000 1.243 107 I CA 0.865 62.216 61.300 0.085 0.000 1.459 107 I CB 0.085 38.095 38.000 0.017 0.000 1.093 107 I HN 0.105 nan 8.210 nan 0.000 0.453 108 D N 1.014 121.513 120.400 0.164 0.000 2.665 108 D HA 0.239 4.879 4.640 -0.000 0.000 0.287 108 D C -1.271 175.140 176.300 0.185 0.000 1.266 108 D CA -0.692 53.394 54.000 0.143 0.000 0.830 108 D CB 2.109 42.968 40.800 0.099 0.000 1.356 108 D HN -0.029 nan 8.370 nan 0.000 0.437 109 K N 0.056 120.530 120.400 0.123 0.000 2.447 109 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 109 K C 0.859 177.537 176.600 0.130 0.000 1.031 109 K CA 1.244 57.579 56.287 0.081 0.000 1.019 109 K CB -0.053 32.486 32.500 0.065 0.000 0.918 109 K HN 0.556 nan 8.250 nan 0.000 0.476 110 G N 3.363 112.262 108.800 0.165 0.000 2.168 110 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 110 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 110 G C -0.547 174.539 174.900 0.310 0.000 0.997 110 G CA 0.650 45.894 45.100 0.240 0.000 0.708 110 G HN 0.572 nan 8.290 nan 0.000 0.520 111 K N -0.532 120.101 120.400 0.389 0.000 2.535 111 K HA 0.610 4.930 4.320 -0.000 0.000 0.250 111 K C -0.530 176.160 176.600 0.150 0.000 0.948 111 K CA -0.861 55.527 56.287 0.167 0.000 0.796 111 K CB 1.708 34.243 32.500 0.059 0.000 1.216 111 K HN 0.373 nan 8.250 nan 0.000 0.432 112 F N 1.657 121.449 119.950 -0.264 0.000 2.620 112 F HA 0.743 5.270 4.527 0.000 0.000 0.320 112 F C -0.776 174.756 175.800 -0.446 0.000 1.069 112 F CA -1.416 56.240 58.000 -0.572 0.000 0.953 112 F CB 0.971 39.172 39.000 -1.330 0.000 1.322 112 F HN 0.379 nan 8.300 nan 0.000 0.479 113 I N -0.589 119.836 120.570 -0.241 0.000 2.892 113 I HA 0.578 4.748 4.170 -0.000 0.000 0.306 113 I C -1.638 174.437 176.117 -0.070 0.000 1.078 113 I CA -1.263 59.904 61.300 -0.222 0.000 1.032 113 I CB 2.001 39.927 38.000 -0.123 0.000 1.229 113 I HN 0.648 nan 8.210 nan 0.000 0.435 114 Y N 2.035 122.402 120.300 0.111 0.000 2.336 114 Y HA 0.642 5.192 4.550 -0.000 0.000 0.331 114 Y C 0.982 176.935 175.900 0.088 0.000 1.211 114 Y CA 0.332 58.504 58.100 0.121 0.000 1.346 114 Y CB 1.391 39.916 38.460 0.109 0.000 1.271 114 Y HN 0.801 nan 8.280 nan 0.000 0.538 115 G N 0.537 109.532 108.800 0.324 0.000 2.619 115 G HA2 0.609 4.569 3.960 -0.000 0.000 0.296 115 G HA3 0.609 4.569 3.960 -0.000 0.000 0.296 115 G C -2.079 173.029 174.900 0.347 0.000 1.334 115 G CA -0.781 44.477 45.100 0.263 0.000 0.934 115 G HN 0.450 nan 8.290 nan 0.000 0.476 116 V N 0.246 120.334 119.914 0.290 0.000 2.487 116 V HA 0.722 4.842 4.120 -0.000 0.000 0.298 116 V C 0.782 177.031 176.094 0.259 0.000 1.028 116 V CA -0.431 62.038 62.300 0.283 0.000 0.860 116 V CB 1.607 33.535 31.823 0.175 0.000 0.991 116 V HN 1.046 nan 8.190 nan 0.000 0.427 117 G N 2.926 111.948 108.800 0.369 0.000 2.395 117 G HA2 0.723 4.683 3.960 -0.000 0.000 0.283 117 G HA3 0.723 4.683 3.960 -0.000 0.000 0.283 117 G C -0.325 174.525 174.900 -0.083 0.000 1.178 117 G CA 0.364 45.561 45.100 0.162 0.000 0.837 117 G HN 1.224 nan 8.290 nan 0.000 0.518 118 A N 1.126 123.677 122.820 -0.448 0.000 2.602 118 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 118 A C -0.185 176.897 177.584 -0.835 0.000 1.114 118 A CA -0.160 51.502 52.037 -0.625 0.000 0.683 118 A CB 1.463 20.027 19.000 -0.726 0.000 1.281 118 A HN 1.853 nan 8.150 nan 0.000 0.416 119 S N -0.417 115.001 115.700 -0.470 0.000 2.542 119 S HA 0.693 5.163 4.470 -0.000 0.000 0.293 119 S C -0.585 174.043 174.600 0.047 0.000 1.089 119 S CA -0.679 57.391 58.200 -0.216 0.000 0.961 119 S CB 1.215 64.336 63.200 -0.131 0.000 1.062 119 S HN 1.212 nan 8.310 nan 0.000 0.483 120 V N 4.073 124.089 119.914 0.171 0.000 2.572 120 V HA 0.278 4.398 4.120 -0.000 0.000 0.291 120 V C -1.277 174.851 176.094 0.056 0.000 1.039 120 V CA -1.050 61.339 62.300 0.149 0.000 1.055 120 V CB -0.243 31.643 31.823 0.104 0.000 0.969 120 V HN 0.875 nan 8.190 nan 0.000 0.482 134 P HA 0.422 nan 4.420 nan 0.000 0.275 134 P C -1.333 175.865 177.300 -0.171 0.000 1.227 134 P CA 0.325 63.356 63.100 -0.116 0.000 0.781 134 P CB 0.967 32.580 31.700 -0.145 0.000 0.906 135 D N 0.957 121.273 120.400 -0.140 0.000 2.506 135 D HA 0.070 4.710 4.640 -0.000 0.000 0.254 135 D C 0.462 176.653 176.300 -0.183 0.000 1.089 135 D CA -0.735 53.164 54.000 -0.170 0.000 1.050 135 D CB 0.566 41.365 40.800 -0.002 0.000 1.221 135 D HN 0.280 nan 8.370 nan 0.000 0.589 136 W N 0.119 121.427 121.300 0.013 0.000 2.342 136 W HA -0.102 4.558 4.660 -0.000 0.000 0.297 136 W C 1.724 178.251 176.519 0.014 0.000 1.213 136 W CA 0.836 58.186 57.345 0.007 0.000 1.251 136 W CB -0.290 29.172 29.460 0.002 0.000 1.136 136 W HN 0.380 nan 8.180 nan 0.000 0.526 137 D N -0.573 119.949 120.400 0.203 0.000 2.263 137 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 137 D C 1.735 178.093 176.300 0.096 0.000 0.971 137 D CA 1.242 55.317 54.000 0.125 0.000 0.867 137 D CB -0.346 40.504 40.800 0.084 0.000 0.929 137 D HN 0.370 nan 8.370 nan 0.000 0.492 138 Q N -0.592 119.248 119.800 0.067 0.000 2.396 138 Q HA 0.104 4.444 4.340 -0.000 0.000 0.209 138 Q C 0.207 176.251 176.000 0.073 0.000 0.906 138 Q CA -0.033 55.805 55.803 0.059 0.000 0.927 138 Q CB 1.048 29.790 28.738 0.006 0.000 1.069 138 Q HN 0.172 nan 8.270 nan 0.000 0.523 139 I N 1.821 122.406 120.570 0.024 0.000 2.474 139 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 139 I C -0.134 176.049 176.117 0.110 0.000 1.048 139 I CA -0.004 61.264 61.300 -0.053 0.000 1.383 139 I CB -0.195 37.730 38.000 -0.124 0.000 1.412 139 I HN -0.012 nan 8.210 nan 0.000 0.531 140 F N 5.641 125.588 119.950 -0.006 0.000 2.662 140 F HA 0.708 5.235 4.527 0.000 0.000 0.312 140 F C -1.320 174.505 175.800 0.041 0.000 1.113 140 F CA -1.224 56.791 58.000 0.026 0.000 0.951 140 F CB 1.234 40.243 39.000 0.015 0.000 1.344 140 F HN 0.028 nan 8.300 nan 0.000 0.462 141 I N 1.952 122.700 120.570 0.298 0.000 2.433 141 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 141 I C -1.178 175.185 176.117 0.409 0.000 1.001 141 I CA -0.305 61.107 61.300 0.187 0.000 1.119 141 I CB 1.435 39.428 38.000 -0.012 0.000 1.289 141 I HN 0.633 nan 8.210 nan 0.000 0.438 142 D N 6.571 127.201 120.400 0.383 0.000 2.280 142 D HA 0.390 5.030 4.640 -0.000 0.000 0.236 142 D C 0.604 176.996 176.300 0.153 0.000 1.082 142 D CA -0.359 53.841 54.000 0.332 0.000 0.834 142 D CB 1.321 42.379 40.800 0.431 0.000 1.100 142 D HN 0.553 nan 8.370 nan 0.000 0.486 143 I N 0.417 121.015 120.570 0.047 0.000 3.974 143 I HA 0.440 4.610 4.170 -0.000 0.000 0.334 143 I C 1.086 177.202 176.117 -0.002 0.000 1.437 143 I CA -0.429 60.893 61.300 0.037 0.000 1.113 143 I CB 0.404 38.413 38.000 0.015 0.000 1.063 143 I HN 0.483 nan 8.210 nan 0.000 0.400 144 G N 1.725 110.500 108.800 -0.040 0.000 2.136 144 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 144 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 144 G C 0.329 175.171 174.900 -0.097 0.000 0.989 144 G CA 0.041 45.109 45.100 -0.054 0.000 0.682 144 G HN 0.917 nan 8.290 nan 0.000 0.522 145 A N -0.455 122.274 122.820 -0.152 0.000 2.302 145 A HA 0.762 5.082 4.320 -0.000 0.000 0.285 145 A C 0.917 178.376 177.584 -0.209 0.000 1.105 145 A CA 0.414 52.358 52.037 -0.154 0.000 0.816 145 A CB 0.547 19.462 19.000 -0.142 0.000 1.067 145 A HN 0.390 nan 8.150 nan 0.000 0.489 146 E N -0.002 120.112 120.200 -0.142 0.000 2.476 146 E HA 0.130 4.480 4.350 -0.000 0.000 0.199 146 E C -0.010 176.527 176.600 -0.105 0.000 1.021 146 E CA 0.671 56.996 56.400 -0.126 0.000 0.907 146 E CB 0.310 29.967 29.700 -0.072 0.000 0.974 146 E HN 0.716 nan 8.360 nan 0.000 0.489 147 S N -0.800 114.838 115.700 -0.104 0.000 2.587 147 S HA 0.238 4.708 4.470 -0.000 0.000 0.269 147 S C 0.249 174.804 174.600 -0.075 0.000 1.154 147 S CA -0.947 57.211 58.200 -0.071 0.000 0.824 147 S CB 2.132 65.304 63.200 -0.048 0.000 1.118 147 S HN -0.009 nan 8.310 nan 0.000 0.462 148 K N 0.970 121.334 120.400 -0.060 0.000 2.063 148 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 148 K C 1.958 178.522 176.600 -0.060 0.000 1.048 148 K CA 1.948 58.194 56.287 -0.068 0.000 0.928 148 K CB -0.440 32.017 32.500 -0.072 0.000 0.713 148 K HN 0.788 nan 8.250 nan 0.000 0.442 149 E N 0.828 120.999 120.200 -0.048 0.000 2.085 149 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 149 E C 1.910 178.485 176.600 -0.041 0.000 0.994 149 E CA 1.724 58.100 56.400 -0.039 0.000 0.801 149 E CB -0.165 29.516 29.700 -0.031 0.000 0.743 149 E HN 0.522 nan 8.360 nan 0.000 0.453 150 E N 0.352 120.523 120.200 -0.048 0.000 2.072 150 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 150 E C 2.087 178.656 176.600 -0.053 0.000 0.985 150 E CA 1.135 57.505 56.400 -0.049 0.000 0.801 150 E CB -0.221 29.445 29.700 -0.057 0.000 0.750 150 E HN 0.391 nan 8.360 nan 0.000 0.452 151 A N 1.078 123.859 122.820 -0.063 0.000 1.908 151 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 151 A C 1.952 179.508 177.584 -0.046 0.000 1.181 151 A CA 1.862 53.863 52.037 -0.060 0.000 0.627 151 A CB -0.575 18.384 19.000 -0.069 0.000 0.818 151 A HN 0.360 nan 8.150 nan 0.000 0.445 152 E N -0.352 119.822 120.200 -0.044 0.000 2.072 152 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 152 E C 1.502 178.085 176.600 -0.028 0.000 0.985 152 E CA 1.020 57.399 56.400 -0.035 0.000 0.801 152 E CB -0.232 29.448 29.700 -0.035 0.000 0.750 152 E HN 0.509 nan 8.360 nan 0.000 0.452 153 D N 0.423 120.806 120.400 -0.029 0.000 2.190 153 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 153 D C 1.671 177.955 176.300 -0.027 0.000 0.992 153 D CA 1.241 55.225 54.000 -0.026 0.000 0.854 153 D CB -0.091 40.692 40.800 -0.027 0.000 0.936 153 D HN 0.214 nan 8.370 nan 0.000 0.462 154 M N -1.417 118.164 119.600 -0.032 0.000 2.558 154 M HA 0.129 4.609 4.480 -0.000 0.000 0.255 154 M C 1.222 177.503 176.300 -0.031 0.000 1.113 154 M CA 0.849 56.128 55.300 -0.035 0.000 1.097 154 M CB 0.690 33.266 32.600 -0.040 0.000 1.426 154 M HN 0.164 nan 8.290 nan 0.000 0.488 155 G N -0.025 108.762 108.800 -0.023 0.000 2.192 155 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.193 155 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.193 155 G C -0.064 174.831 174.900 -0.008 0.000 0.999 155 G CA -0.518 44.576 45.100 -0.011 0.000 0.659 155 G HN 0.230 nan 8.290 nan 0.000 0.503 156 V N 2.235 122.138 119.914 -0.018 0.000 2.546 156 V HA 0.648 4.768 4.120 -0.000 0.000 0.284 156 V C 0.550 176.632 176.094 -0.020 0.000 1.050 156 V CA 0.495 62.783 62.300 -0.019 0.000 0.981 156 V CB 1.402 33.209 31.823 -0.027 0.000 0.990 156 V HN 0.655 nan 8.190 nan 0.000 0.474 157 K N 3.816 124.206 120.400 -0.017 0.000 2.480 157 K HA 0.659 4.979 4.320 -0.000 0.000 0.258 157 K C -0.962 175.627 176.600 -0.019 0.000 0.990 157 K CA -1.069 55.208 56.287 -0.016 0.000 0.857 157 K CB 1.993 34.493 32.500 -0.001 0.000 1.384 157 K HN 0.368 nan 8.250 nan 0.000 0.446 158 I N 1.628 122.189 120.570 -0.016 0.000 2.742 158 I HA 0.027 4.197 4.170 -0.000 0.000 0.287 158 I C 1.069 177.181 176.117 -0.007 0.000 1.186 158 I CA 1.732 63.028 61.300 -0.008 0.000 1.417 158 I CB 0.065 38.068 38.000 0.005 0.000 1.377 158 I HN 1.135 nan 8.210 nan 0.000 0.556 159 G N 3.523 112.308 108.800 -0.025 0.000 2.218 159 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 159 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 159 G C 0.436 175.267 174.900 -0.115 0.000 0.994 159 G CA -0.179 44.891 45.100 -0.050 0.000 0.637 159 G HN 0.536 nan 8.290 nan 0.000 0.505 160 T N 1.851 116.359 114.554 -0.076 0.000 2.934 160 T HA 0.427 4.777 4.350 -0.000 0.000 0.306 160 T C 0.877 175.508 174.700 -0.115 0.000 1.042 160 T CA 0.675 62.730 62.100 -0.075 0.000 1.145 160 T CB 1.466 70.317 68.868 -0.029 0.000 0.982 160 T HN 1.426 nan 8.240 nan 0.000 0.544 161 V N 2.464 122.306 119.914 -0.121 0.000 2.713 161 V HA 0.788 4.908 4.120 -0.000 0.000 0.307 161 V C -0.360 175.789 176.094 0.092 0.000 1.052 161 V CA -0.884 61.353 62.300 -0.106 0.000 0.967 161 V CB 1.146 32.817 31.823 -0.254 0.000 1.019 161 V HN 0.794 nan 8.190 nan 0.000 0.459 162 I N 3.154 123.765 120.570 0.069 0.000 2.619 162 I HA 0.628 4.798 4.170 -0.000 0.000 0.292 162 I C -0.088 176.107 176.117 0.131 0.000 1.100 162 I CA -0.354 61.007 61.300 0.102 0.000 1.043 162 I CB 2.636 40.585 38.000 -0.085 0.000 1.239 162 I HN 0.985 nan 8.210 nan 0.000 0.420 163 T N -0.063 114.649 114.554 0.263 0.000 2.930 163 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 163 T C -0.457 174.403 174.700 0.267 0.000 1.052 163 T CA -0.725 61.505 62.100 0.216 0.000 1.017 163 T CB 1.565 70.621 68.868 0.313 0.000 1.137 163 T HN 0.336 nan 8.240 nan 0.000 0.511 164 W N 1.233 122.659 121.300 0.210 0.000 2.187 164 W HA 0.171 4.831 4.660 0.000 0.000 0.348 164 W C 0.429 176.889 176.519 -0.098 0.000 1.282 164 W CA 0.215 57.495 57.345 -0.108 0.000 1.271 164 W CB 0.119 29.479 29.460 -0.166 0.000 1.170 164 W HN 0.781 nan 8.180 nan 0.000 0.583 165 D N 1.029 121.470 120.400 0.069 0.000 2.453 165 D HA 0.370 5.010 4.640 -0.000 0.000 0.223 165 D C 0.013 176.320 176.300 0.011 0.000 1.183 165 D CA 0.107 54.120 54.000 0.021 0.000 0.933 165 D CB -0.115 40.727 40.800 0.070 0.000 1.038 165 D HN 0.360 nan 8.370 nan 0.000 0.513 166 G N 2.902 111.712 108.800 0.018 0.000 2.524 166 G HA2 0.656 4.616 3.960 -0.000 0.000 0.310 166 G HA3 0.656 4.616 3.960 -0.000 0.000 0.310 166 G C -0.828 174.049 174.900 -0.038 0.000 1.279 166 G CA -1.107 43.971 45.100 -0.036 0.000 0.974 166 G HN 0.528 nan 8.290 nan 0.000 0.484 167 R N 0.506 120.976 120.500 -0.050 0.000 2.854 167 R HA 0.723 5.063 4.340 -0.000 0.000 0.271 167 R C -1.152 175.113 176.300 -0.059 0.000 0.994 167 R CA -1.040 55.037 56.100 -0.038 0.000 0.945 167 R CB 1.732 32.036 30.300 0.007 0.000 1.194 167 R HN 0.428 nan 8.270 nan 0.000 0.476 168 L N 1.682 122.864 121.223 -0.068 0.000 2.410 168 L HA 0.279 4.619 4.340 -0.000 0.000 0.273 168 L C -0.784 176.167 176.870 0.135 0.000 1.144 168 L CA 0.859 55.670 54.840 -0.048 0.000 0.863 168 L CB 0.381 42.326 42.059 -0.190 0.000 1.140 168 L HN 0.632 nan 8.230 nan 0.000 0.463 169 E N 4.566 124.899 120.200 0.221 0.000 2.393 169 E HA 0.423 4.773 4.350 -0.000 0.000 0.273 169 E C -0.964 175.865 176.600 0.381 0.000 0.918 169 E CA -0.895 55.677 56.400 0.286 0.000 0.773 169 E CB 1.749 31.535 29.700 0.143 0.000 1.275 169 E HN 0.540 nan 8.360 nan 0.000 0.451 170 R N 0.924 121.593 120.500 0.282 0.000 2.441 170 R HA 0.463 4.803 4.340 -0.000 0.000 0.284 170 R C -0.252 176.038 176.300 -0.017 0.000 1.070 170 R CA -0.299 55.854 56.100 0.089 0.000 1.047 170 R CB 0.656 30.928 30.300 -0.046 0.000 1.016 170 R HN 0.267 nan 8.270 nan 0.000 0.477 171 L N 3.108 124.266 121.223 -0.108 0.000 2.342 171 L HA 0.338 4.678 4.340 -0.000 0.000 0.276 171 L C 0.823 177.610 176.870 -0.138 0.000 0.997 171 L CA -0.299 54.495 54.840 -0.076 0.000 0.838 171 L CB 1.633 43.685 42.059 -0.012 0.000 1.224 171 L HN 0.984 nan 8.230 nan 0.000 0.416 172 G N 2.866 111.596 108.800 -0.118 0.000 2.578 172 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.275 172 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.275 172 G C 0.544 175.315 174.900 -0.215 0.000 1.271 172 G CA 0.527 45.547 45.100 -0.133 0.000 0.941 172 G HN 0.664 nan 8.290 nan 0.000 0.564 173 K N -1.103 119.149 120.400 -0.246 0.000 2.116 173 K HA 0.100 4.420 4.320 -0.000 0.000 0.203 173 K C 1.921 178.164 176.600 -0.594 0.000 1.052 173 K CA 2.001 58.033 56.287 -0.426 0.000 0.952 173 K CB -0.055 32.148 32.500 -0.495 0.000 0.729 173 K HN 0.593 nan 8.250 nan 0.000 0.446 174 H N -1.569 117.384 119.070 -0.195 0.000 3.233 174 H HA 0.304 4.860 4.556 -0.000 0.000 0.263 174 H C -0.177 174.946 175.328 -0.342 0.000 1.168 174 H CA -0.102 55.822 56.048 -0.207 0.000 1.159 174 H CB 0.847 30.552 29.762 -0.096 0.000 1.593 174 H HN -0.073 nan 8.280 nan 0.000 0.580 175 R N -0.147 120.147 120.500 -0.343 0.000 2.856 175 R HA 0.580 4.920 4.340 -0.000 0.000 0.258 175 R C -1.137 174.797 176.300 -0.610 0.000 1.066 175 R CA -0.574 55.337 56.100 -0.316 0.000 1.045 175 R CB 1.702 31.953 30.300 -0.083 0.000 1.178 175 R HN -0.166 nan 8.270 nan 0.000 0.499 176 F N -0.529 119.488 119.950 0.111 0.000 2.613 176 F HA 0.506 5.033 4.527 0.000 0.000 0.310 176 F C -0.674 175.331 175.800 0.342 0.000 1.085 176 F CA -0.992 57.147 58.000 0.231 0.000 0.945 176 F CB 1.865 41.056 39.000 0.319 0.000 1.298 176 F HN 0.085 nan 8.300 nan 0.000 0.455 177 V N 1.508 121.706 119.914 0.473 0.000 2.628 177 V HA 0.883 5.003 4.120 -0.000 0.000 0.306 177 V C -0.895 175.234 176.094 0.058 0.000 1.045 177 V CA -0.058 62.428 62.300 0.310 0.000 0.905 177 V CB 1.813 33.725 31.823 0.148 0.000 0.997 177 V HN 0.843 nan 8.190 nan 0.000 0.436 178 S N 4.781 120.309 115.700 -0.286 0.000 2.578 178 S HA 0.465 4.935 4.470 -0.000 0.000 0.272 178 S C -1.096 173.202 174.600 -0.503 0.000 1.145 178 S CA -0.594 57.245 58.200 -0.603 0.000 0.835 178 S CB 1.388 63.831 63.200 -1.261 0.000 1.104 178 S HN 1.037 nan 8.310 nan 0.000 0.458 179 I N 3.161 123.529 120.570 -0.336 0.000 2.696 179 I HA 0.454 4.624 4.170 -0.000 0.000 0.284 179 I C 1.033 177.030 176.117 -0.199 0.000 1.129 179 I CA 1.173 62.368 61.300 -0.175 0.000 1.410 179 I CB 1.004 38.996 38.000 -0.012 0.000 1.399 179 I HN 1.348 nan 8.210 nan 0.000 0.579 180 A N 4.827 127.636 122.820 -0.019 0.000 2.826 180 A HA -0.253 4.067 4.320 -0.000 0.000 0.274 180 A C 0.858 178.474 177.584 0.052 0.000 1.443 180 A CA 1.078 53.149 52.037 0.056 0.000 0.833 180 A CB -2.497 16.539 19.000 0.060 0.000 1.023 180 A HN 0.777 nan 8.150 nan 0.000 0.600 181 F N 0.673 120.648 119.950 0.042 0.000 2.202 181 F HA -0.031 4.496 4.527 0.000 0.000 0.301 181 F C 1.465 177.276 175.800 0.019 0.000 1.082 181 F CA 1.592 59.598 58.000 0.010 0.000 1.313 181 F CB -0.195 38.811 39.000 0.010 0.000 1.024 181 F HN 0.509 nan 8.300 nan 0.000 0.495 182 D N 0.377 120.930 120.400 0.254 0.000 2.374 182 D HA 0.031 4.671 4.640 -0.000 0.000 0.240 182 D C -0.367 176.012 176.300 0.132 0.000 1.229 182 D CA 0.193 54.310 54.000 0.194 0.000 0.895 182 D CB 0.214 41.181 40.800 0.280 0.000 1.046 182 D HN 0.024 nan 8.370 nan 0.000 0.498 183 D N 2.548 122.874 120.400 -0.124 0.000 2.623 183 D HA 0.095 4.735 4.640 -0.000 0.000 0.252 183 D C 1.083 177.325 176.300 -0.097 0.000 1.294 183 D CA -0.234 53.630 54.000 -0.225 0.000 0.824 183 D CB 0.271 40.590 40.800 -0.802 0.000 1.070 183 D HN 0.171 nan 8.370 nan 0.000 0.487 184 R N 0.189 120.696 120.500 0.012 0.000 2.193 184 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 184 R C 1.718 178.093 176.300 0.124 0.000 1.110 184 R CA 0.314 56.448 56.100 0.057 0.000 0.988 184 R CB -0.393 29.938 30.300 0.052 0.000 0.871 184 R HN 0.320 nan 8.270 nan 0.000 0.458 185 I N 0.917 121.583 120.570 0.162 0.000 2.394 185 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 185 I C 1.988 178.178 176.117 0.121 0.000 1.136 185 I CA 1.023 62.393 61.300 0.117 0.000 1.425 185 I CB -0.170 37.812 38.000 -0.029 0.000 1.079 185 I HN 0.094 nan 8.210 nan 0.000 0.425 186 A N -0.840 122.024 122.820 0.073 0.000 1.930 186 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 186 A C 2.315 179.931 177.584 0.053 0.000 1.176 186 A CA 1.349 53.423 52.037 0.061 0.000 0.632 186 A CB -0.914 18.112 19.000 0.044 0.000 0.819 186 A HN 0.242 nan 8.150 nan 0.000 0.445 187 V N -0.989 118.953 119.914 0.046 0.000 2.287 187 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 187 V C 2.358 178.465 176.094 0.023 0.000 1.053 187 V CA 2.214 64.535 62.300 0.035 0.000 1.027 187 V CB -1.113 30.730 31.823 0.034 0.000 0.646 187 V HN 0.731 nan 8.190 nan 0.000 0.447 188 Y N 1.544 121.818 120.300 -0.043 0.000 2.114 188 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 188 Y C 2.651 178.501 175.900 -0.083 0.000 1.165 188 Y CA 2.444 60.505 58.100 -0.066 0.000 1.148 188 Y CB -0.732 37.688 38.460 -0.067 0.000 0.972 188 Y HN 0.228 nan 8.280 nan 0.000 0.504 189 T N 1.899 116.417 114.554 -0.059 0.000 2.684 189 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 189 T C 1.921 176.494 174.700 -0.212 0.000 1.036 189 T CA 2.376 64.398 62.100 -0.130 0.000 1.148 189 T CB -0.728 68.152 68.868 0.020 0.000 0.863 189 T HN 0.648 nan 8.240 nan 0.000 0.436 190 I N -0.498 119.987 120.570 -0.143 0.000 2.493 190 I HA -0.021 4.149 4.170 -0.000 0.000 0.254 190 I C 2.102 177.954 176.117 -0.441 0.000 1.160 190 I CA 1.275 62.460 61.300 -0.192 0.000 1.445 190 I CB -0.655 37.344 38.000 -0.001 0.000 1.086 190 I HN 0.150 nan 8.210 nan 0.000 0.433 191 L N 0.800 121.793 121.223 -0.384 0.000 2.046 191 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 191 L C 2.851 179.408 176.870 -0.521 0.000 1.077 191 L CA 1.244 55.830 54.840 -0.425 0.000 0.747 191 L CB -0.677 41.187 42.059 -0.326 0.000 0.896 191 L HN 0.271 nan 8.230 nan 0.000 0.432 192 E N -0.144 119.721 120.200 -0.558 0.000 2.072 192 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 192 E C 2.378 178.752 176.600 -0.377 0.000 0.985 192 E CA 0.999 57.103 56.400 -0.494 0.000 0.801 192 E CB -0.266 29.123 29.700 -0.517 0.000 0.750 192 E HN 0.288 nan 8.360 nan 0.000 0.452 193 V N 1.841 121.558 119.914 -0.328 0.000 2.287 193 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 193 V C 2.505 178.438 176.094 -0.268 0.000 1.053 193 V CA 1.882 64.055 62.300 -0.212 0.000 1.027 193 V CB -0.950 30.835 31.823 -0.062 0.000 0.646 193 V HN 0.245 nan 8.190 nan 0.000 0.447 194 A N -0.270 122.204 122.820 -0.576 0.000 1.940 194 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 194 A C 2.298 179.670 177.584 -0.353 0.000 1.176 194 A CA 2.131 53.829 52.037 -0.565 0.000 0.631 194 A CB -0.437 18.093 19.000 -0.783 0.000 0.814 194 A HN 0.581 nan 8.150 nan 0.000 0.446 195 K N -0.801 119.261 120.400 -0.564 0.000 2.103 195 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 195 K C 2.113 178.544 176.600 -0.281 0.000 1.052 195 K CA 1.357 57.241 56.287 -0.671 0.000 0.945 195 K CB -0.127 31.894 32.500 -0.798 0.000 0.722 195 K HN 0.587 nan 8.250 nan 0.000 0.443 196 Q N 0.342 120.012 119.800 -0.218 0.000 2.354 196 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 196 Q C 0.204 176.165 176.000 -0.064 0.000 0.933 196 Q CA -0.005 55.725 55.803 -0.123 0.000 0.901 196 Q CB 0.181 28.847 28.738 -0.120 0.000 1.007 196 Q HN 0.111 nan 8.270 nan 0.000 0.495 197 L N 3.184 124.384 121.223 -0.039 0.000 2.410 197 L HA 0.042 4.382 4.340 -0.000 0.000 0.273 197 L C -0.317 176.564 176.870 0.020 0.000 1.144 197 L CA 0.575 55.425 54.840 0.016 0.000 0.863 197 L CB 0.317 42.436 42.059 0.099 0.000 1.140 197 L HN -0.079 nan 8.230 nan 0.000 0.463 198 K N 2.741 123.146 120.400 0.010 0.000 2.482 198 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 198 K C -0.778 175.822 176.600 -0.001 0.000 0.936 198 K CA -0.618 55.673 56.287 0.008 0.000 0.791 198 K CB 1.414 33.916 32.500 0.003 0.000 1.213 198 K HN 0.466 nan 8.250 nan 0.000 0.428 199 D N 0.564 120.961 120.400 -0.006 0.000 2.704 199 D HA -0.202 4.438 4.640 -0.000 0.000 0.232 199 D C -0.459 175.820 176.300 -0.034 0.000 1.183 199 D CA 1.422 55.409 54.000 -0.021 0.000 0.647 199 D CB -0.866 39.921 40.800 -0.022 0.000 1.013 199 D HN 0.787 nan 8.370 nan 0.000 0.415 200 A N 0.667 123.472 122.820 -0.025 0.000 2.409 200 A HA 0.364 4.684 4.320 -0.000 0.000 0.262 200 A C 0.783 178.327 177.584 -0.066 0.000 1.113 200 A CA -0.294 51.725 52.037 -0.030 0.000 0.790 200 A CB 0.589 19.591 19.000 0.003 0.000 1.046 200 A HN 0.087 nan 8.150 nan 0.000 0.496 201 K N 1.418 121.733 120.400 -0.141 0.000 2.480 201 K HA 0.479 4.799 4.320 -0.000 0.000 0.241 201 K C -0.290 176.291 176.600 -0.031 0.000 1.261 201 K CA 0.890 57.069 56.287 -0.180 0.000 1.193 201 K CB 0.015 32.195 32.500 -0.534 0.000 1.598 201 K HN 0.801 nan 8.250 nan 0.000 0.278 202 A N 0.970 123.794 122.820 0.006 0.000 2.577 202 A HA 0.299 4.619 4.320 -0.000 0.000 0.297 202 A C -1.643 175.965 177.584 0.040 0.000 1.060 202 A CA -0.950 51.122 52.037 0.057 0.000 0.697 202 A CB 1.068 20.113 19.000 0.074 0.000 1.281 202 A HN 0.280 nan 8.150 nan 0.000 0.402 203 D N 1.912 122.363 120.400 0.085 0.000 2.422 203 D HA 0.435 5.075 4.640 -0.000 0.000 0.227 203 D C -0.494 175.878 176.300 0.120 0.000 1.190 203 D CA 0.408 54.476 54.000 0.112 0.000 0.905 203 D CB 0.648 41.566 40.800 0.197 0.000 1.034 203 D HN 0.235 nan 8.370 nan 0.000 0.507 204 V N 4.833 124.727 119.914 -0.033 0.000 2.439 204 V HA 0.247 4.367 4.120 -0.000 0.000 0.282 204 V C -0.486 175.451 176.094 -0.261 0.000 1.039 204 V CA -0.580 61.625 62.300 -0.159 0.000 0.913 204 V CB 0.876 32.489 31.823 -0.350 0.000 0.983 204 V HN 0.346 nan 8.190 nan 0.000 0.460 205 Y N 4.311 124.513 120.300 -0.164 0.000 2.447 205 Y HA 0.530 5.080 4.550 -0.000 0.000 0.325 205 Y C -0.232 175.582 175.900 -0.142 0.000 0.976 205 Y CA -0.754 57.303 58.100 -0.072 0.000 1.280 205 Y CB 0.979 39.425 38.460 -0.024 0.000 1.104 205 Y HN 0.519 nan 8.280 nan 0.000 0.486 206 F N 2.736 122.800 119.950 0.190 0.000 2.445 206 F HA 0.425 4.952 4.527 -0.000 0.000 0.359 206 F C 0.063 175.957 175.800 0.156 0.000 1.101 206 F CA -0.760 57.327 58.000 0.146 0.000 1.177 206 F CB 0.536 39.588 39.000 0.087 0.000 1.110 206 F HN 0.028 nan 8.300 nan 0.000 0.522 207 V N 3.278 123.378 119.914 0.310 0.000 2.444 207 V HA 0.631 4.751 4.120 -0.000 0.000 0.294 207 V C -0.111 176.100 176.094 0.196 0.000 1.022 207 V CA -1.154 61.282 62.300 0.227 0.000 0.850 207 V CB 1.444 33.377 31.823 0.183 0.000 0.992 207 V HN 0.861 nan 8.190 nan 0.000 0.426 208 A N 3.749 126.667 122.820 0.164 0.000 2.391 208 A HA 0.646 4.966 4.320 -0.000 0.000 0.316 208 A C 0.644 178.309 177.584 0.134 0.000 1.381 208 A CA -0.282 51.837 52.037 0.136 0.000 0.998 208 A CB -0.039 19.025 19.000 0.106 0.000 1.147 208 A HN 0.927 nan 8.150 nan 0.000 0.545 209 T N 0.032 114.679 114.554 0.154 0.000 2.899 209 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 209 T C 0.397 175.184 174.700 0.145 0.000 1.004 209 T CA -0.127 62.060 62.100 0.145 0.000 1.043 209 T CB 1.102 70.062 68.868 0.153 0.000 1.013 209 T HN 1.278 nan 8.240 nan 0.000 0.518 210 V N 0.190 120.169 119.914 0.108 0.000 2.837 210 V HA 0.478 4.598 4.120 -0.000 0.000 0.310 210 V C 0.404 176.542 176.094 0.073 0.000 1.059 210 V CA -1.152 61.204 62.300 0.094 0.000 1.004 210 V CB 0.648 32.513 31.823 0.069 0.000 1.045 210 V HN 1.050 nan 8.190 nan 0.000 0.465 211 Q N -0.558 119.280 119.800 0.063 0.000 2.457 211 Q HA -0.247 4.093 4.340 -0.000 0.000 0.283 211 Q C 1.218 177.208 176.000 -0.017 0.000 1.234 211 Q CA 1.074 56.893 55.803 0.027 0.000 0.877 211 Q CB -0.970 27.781 28.738 0.022 0.000 1.250 211 Q HN 0.970 nan 8.270 nan 0.000 0.481 212 E N 1.211 121.366 120.200 -0.074 0.000 2.110 212 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 212 E C 1.165 177.651 176.600 -0.191 0.000 0.988 212 E CA 1.174 57.452 56.400 -0.203 0.000 0.804 212 E CB 0.260 29.618 29.700 -0.570 0.000 0.745 212 E HN 0.451 nan 8.360 nan 0.000 0.458 213 E N 0.171 120.271 120.200 -0.166 0.000 2.418 213 E HA -0.076 4.274 4.350 -0.000 0.000 0.197 213 E C 1.775 178.365 176.600 -0.017 0.000 1.026 213 E CA 0.838 57.197 56.400 -0.067 0.000 0.862 213 E CB 0.379 30.074 29.700 -0.008 0.000 0.799 213 E HN 0.285 nan 8.360 nan 0.000 0.518 214 V N -3.944 115.959 119.914 -0.019 0.000 3.319 214 V HA 0.579 4.699 4.120 -0.000 0.000 0.317 214 V C 0.914 177.006 176.094 -0.004 0.000 1.411 214 V CA 0.241 62.538 62.300 -0.006 0.000 1.112 214 V CB 0.449 32.271 31.823 -0.002 0.000 1.031 214 V HN 0.112 nan 8.190 nan 0.000 0.448 215 G N 0.961 109.756 108.800 -0.008 0.000 2.263 215 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.207 215 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.207 215 G C 0.065 174.965 174.900 0.001 0.000 1.072 215 G CA -0.343 44.757 45.100 0.001 0.000 0.800 215 G HN 0.992 nan 8.290 nan 0.000 0.491 216 L N -1.518 119.699 121.223 -0.009 0.000 3.843 216 L HA -0.304 4.036 4.340 -0.000 0.000 0.411 216 L C 2.305 179.185 176.870 0.015 0.000 1.205 216 L CA 1.223 56.067 54.840 0.006 0.000 0.945 216 L CB -1.630 40.446 42.059 0.029 0.000 1.929 216 L HN 0.506 nan 8.230 nan 0.000 0.934 217 R N 0.736 121.241 120.500 0.007 0.000 2.073 217 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 217 R C 2.240 178.550 176.300 0.016 0.000 1.120 217 R CA 1.465 57.569 56.100 0.006 0.000 0.967 217 R CB -0.296 30.004 30.300 -0.001 0.000 0.862 217 R HN 0.568 nan 8.270 nan 0.000 0.436 218 G N 1.266 110.083 108.800 0.029 0.000 2.402 218 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 218 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 218 G C 1.640 176.574 174.900 0.056 0.000 1.162 218 G CA 0.775 45.902 45.100 0.044 0.000 0.777 218 G HN 0.392 nan 8.290 nan 0.000 0.539 219 A N 0.711 123.570 122.820 0.064 0.000 1.933 219 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 219 A C 2.302 179.923 177.584 0.061 0.000 1.175 219 A CA 1.858 53.939 52.037 0.074 0.000 0.628 219 A CB -0.464 18.587 19.000 0.084 0.000 0.814 219 A HN 0.375 nan 8.150 nan 0.000 0.444 220 R N -0.256 120.272 120.500 0.048 0.000 2.080 220 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 220 R C 2.371 178.709 176.300 0.063 0.000 1.137 220 R CA 2.471 58.598 56.100 0.045 0.000 0.943 220 R CB -0.617 29.694 30.300 0.019 0.000 0.846 220 R HN 0.651 nan 8.270 nan 0.000 0.431 221 T N -1.627 112.951 114.554 0.040 0.000 2.896 221 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 221 T C 2.111 176.858 174.700 0.079 0.000 1.050 221 T CA 1.211 63.333 62.100 0.037 0.000 1.140 221 T CB -0.366 68.497 68.868 -0.008 0.000 0.877 221 T HN 0.408 nan 8.240 nan 0.000 0.457 222 S N 2.652 118.389 115.700 0.061 0.000 2.368 222 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 222 S C 2.505 177.122 174.600 0.028 0.000 1.030 222 S CA 0.839 59.069 58.200 0.050 0.000 0.999 222 S CB -1.062 62.173 63.200 0.057 0.000 0.844 222 S HN 0.726 nan 8.310 nan 0.000 0.459 223 A N 1.164 124.009 122.820 0.041 0.000 1.908 223 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 223 A C 1.981 179.561 177.584 -0.007 0.000 1.181 223 A CA 1.464 53.504 52.037 0.004 0.000 0.627 223 A CB -1.160 17.854 19.000 0.023 0.000 0.818 223 A HN 0.570 nan 8.150 nan 0.000 0.445 224 F N 0.896 120.805 119.950 -0.069 0.000 2.134 224 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 224 F C 2.357 178.103 175.800 -0.090 0.000 1.097 224 F CA 1.659 59.614 58.000 -0.074 0.000 1.264 224 F CB -0.440 38.525 39.000 -0.057 0.000 1.001 224 F HN 0.239 nan 8.300 nan 0.000 0.479 225 G N 0.201 109.086 108.800 0.142 0.000 2.408 225 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 225 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 225 G C 1.676 176.495 174.900 -0.135 0.000 1.150 225 G CA 1.121 46.246 45.100 0.041 0.000 0.776 225 G HN 0.451 nan 8.290 nan 0.000 0.542 226 I N -0.250 120.190 120.570 -0.216 0.000 2.406 226 I HA 0.037 4.207 4.170 -0.000 0.000 0.249 226 I C 1.161 177.049 176.117 -0.383 0.000 1.122 226 I CA 0.538 61.578 61.300 -0.433 0.000 1.431 226 I CB -0.045 37.631 38.000 -0.539 0.000 1.087 226 I HN 0.214 nan 8.210 nan 0.000 0.424 227 E N 1.370 121.391 120.200 -0.299 0.000 2.240 227 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 227 E C -2.130 174.325 176.600 -0.241 0.000 1.385 227 E CA -0.540 55.691 56.400 -0.283 0.000 0.686 227 E CB -0.563 28.959 29.700 -0.297 0.000 1.125 227 E HN 0.251 nan 8.360 nan 0.000 0.359 228 P HA 0.057 nan 4.420 nan 0.000 0.274 228 P C 0.104 177.297 177.300 -0.178 0.000 1.237 228 P CA -0.131 62.874 63.100 -0.158 0.000 0.793 228 P CB 0.685 32.329 31.700 -0.093 0.000 0.977 229 D N -0.485 119.799 120.400 -0.193 0.000 2.213 229 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 229 D C 0.076 175.998 176.300 -0.629 0.000 0.961 229 D CA 1.752 55.507 54.000 -0.410 0.000 0.853 229 D CB 0.004 40.532 40.800 -0.453 0.000 0.967 229 D HN 0.410 nan 8.370 nan 0.000 0.496 230 Y N -0.617 119.635 120.300 -0.081 0.000 2.512 230 Y HA 0.557 5.107 4.550 -0.000 0.000 0.348 230 Y C 0.620 176.436 175.900 -0.140 0.000 0.990 230 Y CA -1.131 56.882 58.100 -0.145 0.000 1.033 230 Y CB 2.474 40.877 38.460 -0.096 0.000 1.259 230 Y HN -0.251 nan 8.280 nan 0.000 0.461 231 G N 1.520 110.235 108.800 -0.142 0.000 2.524 231 G HA2 0.724 4.684 3.960 -0.000 0.000 0.310 231 G HA3 0.724 4.684 3.960 -0.000 0.000 0.310 231 G C -2.003 172.631 174.900 -0.444 0.000 1.279 231 G CA -0.627 44.395 45.100 -0.129 0.000 0.974 231 G HN 0.331 nan 8.290 nan 0.000 0.484 232 F N 0.303 120.324 119.950 0.118 0.000 2.578 232 F HA 0.712 5.239 4.527 -0.000 0.000 0.311 232 F C 0.402 176.272 175.800 0.117 0.000 1.094 232 F CA -0.775 57.295 58.000 0.117 0.000 0.923 232 F CB 2.720 41.791 39.000 0.118 0.000 1.230 232 F HN 0.694 nan 8.300 nan 0.000 0.450 233 A N 3.287 126.274 122.820 0.279 0.000 2.340 233 A HA 0.924 5.244 4.320 -0.000 0.000 0.331 233 A C -1.030 176.683 177.584 0.215 0.000 1.140 233 A CA -0.660 51.510 52.037 0.223 0.000 0.801 233 A CB 0.914 20.020 19.000 0.176 0.000 1.234 233 A HN 0.711 nan 8.150 nan 0.000 0.469 234 I N 1.687 122.366 120.570 0.183 0.000 2.436 234 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 234 I C -0.824 175.371 176.117 0.130 0.000 1.010 234 I CA -0.337 61.048 61.300 0.142 0.000 1.098 234 I CB 1.892 39.962 38.000 0.117 0.000 1.266 234 I HN 0.646 nan 8.210 nan 0.000 0.434 235 D N 3.681 124.151 120.400 0.117 0.000 2.664 235 D HA 0.441 5.081 4.640 -0.000 0.000 0.292 235 D C -0.985 175.367 176.300 0.087 0.000 1.214 235 D CA -0.238 53.834 54.000 0.120 0.000 0.932 235 D CB 2.731 43.635 40.800 0.175 0.000 1.420 235 D HN 0.231 nan 8.370 nan 0.000 0.471 236 V N -1.148 118.819 119.914 0.087 0.000 2.953 236 V HA 0.734 4.854 4.120 -0.000 0.000 0.304 236 V C 0.309 176.431 176.094 0.046 0.000 1.073 236 V CA -0.129 62.205 62.300 0.056 0.000 1.064 236 V CB 1.213 33.073 31.823 0.062 0.000 1.047 236 V HN 0.543 nan 8.190 nan 0.000 0.478 237 T N 1.813 116.378 114.554 0.018 0.000 2.887 237 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 237 T C -0.399 174.286 174.700 -0.025 0.000 1.087 237 T CA -0.834 61.270 62.100 0.006 0.000 1.009 237 T CB 1.292 70.170 68.868 0.017 0.000 1.203 237 T HN 0.696 nan 8.240 nan 0.000 0.518 238 I N 2.685 123.233 120.570 -0.035 0.000 2.587 238 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 238 I C 0.580 176.644 176.117 -0.088 0.000 1.134 238 I CA -0.096 61.165 61.300 -0.064 0.000 1.410 238 I CB 0.762 38.728 38.000 -0.055 0.000 1.392 238 I HN 0.634 nan 8.210 nan 0.000 0.545 239 A N 5.993 128.735 122.820 -0.129 0.000 2.316 239 A HA 0.683 5.003 4.320 -0.000 0.000 0.324 239 A C 0.467 177.926 177.584 -0.207 0.000 1.375 239 A CA -0.455 51.478 52.037 -0.173 0.000 0.882 239 A CB 0.708 19.604 19.000 -0.173 0.000 1.152 239 A HN 0.846 nan 8.150 nan 0.000 0.512 240 A N 3.006 125.709 122.820 -0.195 0.000 2.842 240 A HA 0.372 4.692 4.320 -0.000 0.000 0.298 240 A C 0.216 177.688 177.584 -0.187 0.000 1.293 240 A CA -0.090 51.849 52.037 -0.163 0.000 0.959 240 A CB -0.340 18.590 19.000 -0.116 0.000 1.119 240 A HN 0.730 nan 8.150 nan 0.000 0.564 241 D N 1.364 121.613 120.400 -0.252 0.000 2.767 241 D HA 0.200 4.840 4.640 -0.000 0.000 0.231 241 D C 0.230 176.468 176.300 -0.103 0.000 1.105 241 D CA -0.022 53.829 54.000 -0.248 0.000 1.024 241 D CB -0.650 39.927 40.800 -0.372 0.000 1.123 241 D HN 0.635 nan 8.370 nan 0.000 0.470 242 I N -4.643 115.889 120.570 -0.063 0.000 3.002 242 I HA 0.639 4.809 4.170 -0.000 0.000 0.310 242 I C -2.793 173.328 176.117 0.007 0.000 1.087 242 I CA -3.128 58.174 61.300 0.003 0.000 1.017 242 I CB 1.645 39.681 38.000 0.060 0.000 1.226 242 I HN -0.342 nan 8.210 nan 0.000 0.443 243 P HA 0.185 nan 4.420 nan 0.000 0.266 243 P C 0.652 177.957 177.300 0.008 0.000 1.195 243 P CA 1.041 64.150 63.100 0.015 0.000 0.768 243 P CB 0.578 32.289 31.700 0.017 0.000 0.838 244 G N 1.226 110.027 108.800 0.002 0.000 2.159 244 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 244 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 244 G C 0.169 175.061 174.900 -0.013 0.000 0.977 244 G CA 0.152 45.251 45.100 -0.001 0.000 0.652 244 G HN 0.629 nan 8.290 nan 0.000 0.531 245 T N 2.663 117.202 114.554 -0.025 0.000 2.767 245 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 245 T C -2.133 172.528 174.700 -0.065 0.000 0.973 245 T CA -0.864 61.203 62.100 -0.055 0.000 0.996 245 T CB 2.046 70.871 68.868 -0.071 0.000 0.927 245 T HN 0.077 nan 8.240 nan 0.000 0.456 246 P HA 0.096 nan 4.420 nan 0.000 0.266 246 P C 1.110 178.337 177.300 -0.122 0.000 1.195 246 P CA -0.185 62.857 63.100 -0.097 0.000 0.768 246 P CB 0.664 32.255 31.700 -0.182 0.000 0.838 247 E N 2.078 122.275 120.200 -0.004 0.000 2.114 247 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 247 E C 1.659 178.280 176.600 0.036 0.000 1.008 247 E CA 1.626 58.052 56.400 0.042 0.000 0.810 247 E CB -0.591 29.164 29.700 0.093 0.000 0.739 247 E HN 0.717 nan 8.360 nan 0.000 0.456 248 H N 0.593 119.680 119.070 0.028 0.000 2.545 248 H HA 0.072 4.628 4.556 0.000 0.000 0.282 248 H C 0.982 176.319 175.328 0.014 0.000 1.020 248 H CA 0.829 56.892 56.048 0.024 0.000 1.243 248 H CB -0.015 29.758 29.762 0.019 0.000 1.377 248 H HN 0.066 nan 8.280 nan 0.000 0.581 249 K N 0.461 120.614 120.400 -0.411 0.000 2.372 249 K HA 0.103 4.423 4.320 -0.000 0.000 0.200 249 K C 1.608 178.112 176.600 -0.161 0.000 1.022 249 K CA -0.118 55.995 56.287 -0.289 0.000 1.125 249 K CB 0.590 32.869 32.500 -0.368 0.000 0.855 249 K HN 0.366 nan 8.250 nan 0.000 0.524 250 Q N 0.229 119.944 119.800 -0.143 0.000 2.311 250 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 250 Q C 1.009 176.902 176.000 -0.178 0.000 0.954 250 Q CA 0.744 56.432 55.803 -0.192 0.000 0.885 250 Q CB 0.080 28.641 28.738 -0.295 0.000 0.963 250 Q HN 0.052 nan 8.270 nan 0.000 0.471 251 V N -1.245 118.616 119.914 -0.088 0.000 0.609 251 V HA -0.370 3.750 4.120 -0.000 0.000 0.092 251 V C 0.651 176.734 176.094 -0.019 0.000 1.683 251 V CA 2.161 64.437 62.300 -0.040 0.000 3.346 251 V CB -1.942 29.854 31.823 -0.044 0.000 0.626 251 V HN 0.656 nan 8.190 nan 0.000 0.642 252 T N -1.689 112.820 114.554 -0.074 0.000 2.901 252 T HA 0.782 5.132 4.350 -0.000 0.000 0.293 252 T C -1.132 173.481 174.700 -0.145 0.000 1.084 252 T CA -0.476 61.614 62.100 -0.016 0.000 1.008 252 T CB 2.480 71.347 68.868 -0.002 0.000 1.170 252 T HN 0.535 nan 8.240 nan 0.000 0.509 253 H N -0.063 118.979 119.070 -0.047 0.000 2.495 253 H HA 0.537 5.093 4.556 -0.000 0.000 0.348 253 H C -0.210 175.084 175.328 -0.057 0.000 1.113 253 H CA -0.846 55.170 56.048 -0.053 0.000 1.195 253 H CB 1.138 30.870 29.762 -0.050 0.000 1.521 253 H HN 0.525 nan 8.280 nan 0.000 0.509 254 L N 2.204 123.443 121.223 0.026 0.000 2.499 254 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 254 L C 1.283 178.156 176.870 0.006 0.000 1.195 254 L CA 0.942 55.779 54.840 -0.006 0.000 0.882 254 L CB 0.246 42.287 42.059 -0.030 0.000 1.133 254 L HN 1.149 nan 8.230 nan 0.000 0.483 255 G N 2.365 111.154 108.800 -0.019 0.000 2.179 255 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 255 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 255 G C 0.912 175.782 174.900 -0.051 0.000 0.977 255 G CA -0.026 45.046 45.100 -0.046 0.000 0.641 255 G HN 0.601 nan 8.290 nan 0.000 0.533 256 K N 0.760 121.143 120.400 -0.028 0.000 2.374 256 K HA 0.467 4.787 4.320 -0.000 0.000 0.196 256 K C 1.241 177.808 176.600 -0.056 0.000 1.023 256 K CA 0.918 57.173 56.287 -0.053 0.000 1.103 256 K CB 0.424 32.890 32.500 -0.057 0.000 0.848 256 K HN 1.668 nan 8.250 nan 0.000 0.528 257 G N 0.303 109.085 108.800 -0.029 0.000 2.381 257 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.672 257 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.672 257 G C -0.737 174.177 174.900 0.024 0.000 1.324 257 G CA -0.661 44.436 45.100 -0.006 0.000 0.975 257 G HN -0.037 nan 8.290 nan 0.000 0.593 258 T N -0.293 114.290 114.554 0.048 0.000 2.932 258 T HA 0.567 4.917 4.350 -0.000 0.000 0.312 258 T C 0.859 175.612 174.700 0.088 0.000 1.071 258 T CA 1.146 63.279 62.100 0.055 0.000 1.128 258 T CB 0.197 69.092 68.868 0.045 0.000 0.984 258 T HN 2.040 nan 8.240 nan 0.000 0.549 259 A N 5.865 128.729 122.820 0.072 0.000 2.252 259 A HA 0.580 4.900 4.320 -0.000 0.000 0.309 259 A C 0.148 177.789 177.584 0.095 0.000 1.285 259 A CA -0.680 51.409 52.037 0.087 0.000 0.900 259 A CB -0.015 19.022 19.000 0.061 0.000 1.157 259 A HN 0.888 nan 8.150 nan 0.000 0.536 260 I N 2.833 123.475 120.570 0.119 0.000 2.337 260 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 260 I C 0.730 176.904 176.117 0.095 0.000 1.046 260 I CA -0.133 61.226 61.300 0.098 0.000 1.324 260 I CB 0.934 38.976 38.000 0.071 0.000 1.409 260 I HN 0.624 nan 8.210 nan 0.000 0.494 261 K N 6.679 127.134 120.400 0.092 0.000 2.349 261 K HA 0.255 4.575 4.320 -0.000 0.000 0.288 261 K C 0.639 177.278 176.600 0.065 0.000 1.058 261 K CA -0.152 56.180 56.287 0.075 0.000 0.953 261 K CB 0.785 33.329 32.500 0.073 0.000 0.997 261 K HN 0.619 nan 8.250 nan 0.000 0.477 262 I N 4.279 124.882 120.570 0.055 0.000 2.296 262 I HA -0.059 4.111 4.170 -0.000 0.000 0.242 262 I C 0.878 177.008 176.117 0.020 0.000 1.087 262 I CA 0.660 61.985 61.300 0.042 0.000 1.393 262 I CB 0.088 38.114 38.000 0.043 0.000 1.093 262 I HN 0.662 nan 8.210 nan 0.000 0.421 263 M N 0.214 119.826 119.600 0.020 0.000 2.534 263 M HA 0.481 4.961 4.480 -0.000 0.000 0.280 263 M C -2.232 174.077 176.300 0.015 0.000 1.217 263 M CA -0.938 54.365 55.300 0.005 0.000 0.893 263 M CB 2.621 35.221 32.600 -0.000 0.000 1.730 263 M HN -0.035 nan 8.290 nan 0.000 0.483 264 D N 0.707 121.114 120.400 0.011 0.000 2.758 264 D HA 0.463 5.103 4.640 -0.000 0.000 0.279 264 D C 0.367 176.680 176.300 0.023 0.000 1.111 264 D CA -0.713 53.300 54.000 0.022 0.000 1.109 264 D CB 0.897 41.715 40.800 0.031 0.000 1.428 264 D HN 0.687 nan 8.370 nan 0.000 0.586 265 R N -0.333 120.186 120.500 0.031 0.000 2.193 265 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 265 R C 1.634 177.960 176.300 0.044 0.000 1.110 265 R CA 1.963 58.084 56.100 0.035 0.000 0.988 265 R CB -0.661 29.662 30.300 0.038 0.000 0.871 265 R HN 0.497 nan 8.270 nan 0.000 0.458 266 S N -2.274 113.455 115.700 0.049 0.000 2.503 266 S HA 0.178 4.648 4.470 -0.000 0.000 0.215 266 S C 0.396 175.048 174.600 0.087 0.000 1.003 266 S CA 0.009 58.255 58.200 0.077 0.000 0.910 266 S CB 0.527 63.777 63.200 0.083 0.000 0.790 266 S HN 0.010 nan 8.310 nan 0.000 0.514 267 V N 1.056 120.968 119.914 -0.004 0.000 2.891 267 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 267 V C -1.971 174.042 176.094 -0.135 0.000 1.171 267 V CA -1.118 61.080 62.300 -0.170 0.000 0.943 267 V CB 2.112 33.769 31.823 -0.277 0.000 1.037 267 V HN 0.428 nan 8.190 nan 0.000 0.427 268 I N 5.959 126.426 120.570 -0.170 0.000 2.306 268 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 268 I C 0.267 176.300 176.117 -0.139 0.000 1.036 268 I CA -0.318 60.919 61.300 -0.106 0.000 1.221 268 I CB 0.995 38.958 38.000 -0.063 0.000 1.385 268 I HN 0.522 nan 8.210 nan 0.000 0.472 269 C N 5.010 124.259 119.300 -0.086 0.000 2.679 269 C HA -0.027 4.433 4.460 -0.000 0.000 0.417 269 C C 1.093 176.085 174.990 0.003 0.000 1.302 269 C CA -0.250 58.740 59.018 -0.047 0.000 1.973 269 C CB -0.664 27.083 27.740 0.011 0.000 2.715 269 C HN 0.604 nan 8.230 nan 0.000 0.628 270 H N 4.154 123.197 119.070 -0.045 0.000 3.145 270 H HA 0.033 4.589 4.556 0.000 0.000 0.288 270 H C -1.572 173.764 175.328 0.014 0.000 0.969 270 H CA -0.763 55.277 56.048 -0.013 0.000 1.444 270 H CB 0.733 30.490 29.762 -0.009 0.000 1.500 270 H HN 0.449 nan 8.280 nan 0.000 0.552 271 P HA -0.113 nan 4.420 nan 0.000 0.219 271 P C 1.357 178.760 177.300 0.171 0.000 1.146 271 P CA 1.317 64.447 63.100 0.050 0.000 0.808 271 P CB 0.316 31.993 31.700 -0.039 0.000 0.779 272 T N -0.648 114.115 114.554 0.349 0.000 2.777 272 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 272 T C 1.745 176.577 174.700 0.220 0.000 1.040 272 T CA 1.038 63.293 62.100 0.259 0.000 1.141 272 T CB -0.784 68.219 68.868 0.224 0.000 0.868 272 T HN 0.099 nan 8.240 nan 0.000 0.444 273 I N 0.867 121.574 120.570 0.228 0.000 2.252 273 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 273 I C 2.469 178.775 176.117 0.316 0.000 1.102 273 I CA 0.808 62.264 61.300 0.260 0.000 1.385 273 I CB -0.501 37.593 38.000 0.156 0.000 1.064 273 I HN 0.085 nan 8.210 nan 0.000 0.414 274 V N 0.886 120.928 119.914 0.214 0.000 2.255 274 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 274 V C 2.649 178.814 176.094 0.118 0.000 1.051 274 V CA 2.096 64.484 62.300 0.148 0.000 1.018 274 V CB -0.809 31.075 31.823 0.102 0.000 0.641 274 V HN 0.413 nan 8.190 nan 0.000 0.445 275 R N -1.417 119.163 120.500 0.134 0.000 2.073 275 R HA -0.248 4.092 4.340 -0.000 0.000 0.234 275 R C 2.187 178.559 176.300 0.119 0.000 1.134 275 R CA 2.312 58.473 56.100 0.103 0.000 0.952 275 R CB -0.415 29.951 30.300 0.110 0.000 0.850 275 R HN 0.658 nan 8.270 nan 0.000 0.433 276 W N 1.153 122.446 121.300 -0.012 0.000 2.355 276 W HA -0.174 4.486 4.660 -0.000 0.000 0.309 276 W C 1.553 178.043 176.519 -0.047 0.000 1.206 276 W CA 1.406 58.734 57.345 -0.028 0.000 1.284 276 W CB -0.400 29.046 29.460 -0.023 0.000 1.145 276 W HN 0.053 nan 8.180 nan 0.000 0.502 277 L N 0.333 121.515 121.223 -0.069 0.000 2.046 277 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 277 L C 2.576 179.231 176.870 -0.358 0.000 1.077 277 L CA 2.082 56.740 54.840 -0.305 0.000 0.747 277 L CB -1.047 40.971 42.059 -0.069 0.000 0.896 277 L HN 0.103 nan 8.230 nan 0.000 0.432 278 E N 0.051 120.073 120.200 -0.297 0.000 2.077 278 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 278 E C 2.044 178.393 176.600 -0.419 0.000 0.989 278 E CA 1.204 57.307 56.400 -0.495 0.000 0.800 278 E CB 0.161 29.674 29.700 -0.313 0.000 0.746 278 E HN 0.348 nan 8.360 nan 0.000 0.452 279 E N 0.580 120.630 120.200 -0.250 0.000 2.106 279 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 279 E C 2.308 178.768 176.600 -0.233 0.000 0.984 279 E CA 0.590 56.878 56.400 -0.187 0.000 0.806 279 E CB -0.213 29.429 29.700 -0.096 0.000 0.750 279 E HN 0.409 nan 8.360 nan 0.000 0.458 280 L N 0.459 121.477 121.223 -0.340 0.000 2.012 280 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 280 L C 2.508 179.294 176.870 -0.140 0.000 1.073 280 L CA 1.272 55.943 54.840 -0.282 0.000 0.748 280 L CB -0.521 41.226 42.059 -0.520 0.000 0.891 280 L HN 0.082 nan 8.230 nan 0.000 0.431 281 A N 0.021 122.692 122.820 -0.250 0.000 1.902 281 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 281 A C 2.291 179.836 177.584 -0.064 0.000 1.181 281 A CA 1.847 53.780 52.037 -0.172 0.000 0.623 281 A CB -0.360 18.418 19.000 -0.370 0.000 0.818 281 A HN 0.308 nan 8.150 nan 0.000 0.443 282 K N -0.358 119.972 120.400 -0.116 0.000 2.026 282 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 282 K C 2.254 178.815 176.600 -0.064 0.000 1.048 282 K CA 1.720 57.999 56.287 -0.014 0.000 0.929 282 K CB -0.170 32.319 32.500 -0.019 0.000 0.713 282 K HN 0.488 nan 8.250 nan 0.000 0.439 283 K N 0.451 120.763 120.400 -0.147 0.000 2.032 283 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 283 K C 1.258 177.663 176.600 -0.325 0.000 1.048 283 K CA 1.749 57.877 56.287 -0.266 0.000 0.927 283 K CB -0.048 32.215 32.500 -0.395 0.000 0.712 283 K HN 0.323 nan 8.250 nan 0.000 0.441 284 H N 0.107 119.133 119.070 -0.073 0.000 2.526 284 H HA 0.161 4.717 4.556 0.000 0.000 0.274 284 H C -0.530 174.767 175.328 -0.051 0.000 0.999 284 H CA 0.253 56.264 56.048 -0.062 0.000 1.157 284 H CB 0.440 30.156 29.762 -0.077 0.000 1.407 284 H HN 0.271 nan 8.280 nan 0.000 0.568 285 E N 0.349 120.567 120.200 0.030 0.000 2.360 285 E HA -0.210 4.139 4.350 -0.000 0.000 0.238 285 E C -0.734 175.887 176.600 0.034 0.000 1.186 285 E CA 0.157 56.567 56.400 0.017 0.000 0.719 285 E CB -1.454 28.227 29.700 -0.032 0.000 1.236 285 E HN 0.568 nan 8.360 nan 0.000 0.386 286 I N 0.978 121.587 120.570 0.066 0.000 2.342 286 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 286 I C -1.913 174.275 176.117 0.119 0.000 1.010 286 I CA -2.213 59.123 61.300 0.060 0.000 1.308 286 I CB 0.556 38.575 38.000 0.032 0.000 1.400 286 I HN -0.195 nan 8.210 nan 0.000 0.488 287 P HA 0.063 nan 4.420 nan 0.000 0.264 287 P C -1.377 175.992 177.300 0.113 0.000 1.193 287 P CA 0.364 63.486 63.100 0.037 0.000 0.763 287 P CB 0.146 31.834 31.700 -0.021 0.000 0.810 288 Y N 0.375 120.657 120.300 -0.031 0.000 2.625 288 Y HA 0.670 5.220 4.550 -0.000 0.000 0.338 288 Y C -1.220 174.671 175.900 -0.014 0.000 1.123 288 Y CA -1.217 56.870 58.100 -0.022 0.000 1.046 288 Y CB 1.546 39.992 38.460 -0.024 0.000 1.299 288 Y HN 0.470 nan 8.280 nan 0.000 0.464 289 Q N 2.230 122.077 119.800 0.079 0.000 2.416 289 Q HA 0.641 4.981 4.340 -0.000 0.000 0.281 289 Q C -2.050 174.045 176.000 0.158 0.000 1.067 289 Q CA -1.146 54.659 55.803 0.004 0.000 0.809 289 Q CB 3.052 31.781 28.738 -0.015 0.000 1.418 289 Q HN 0.845 nan 8.270 nan 0.000 0.411 290 L N 1.427 122.725 121.223 0.127 0.000 2.292 290 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 290 L C -0.056 176.867 176.870 0.088 0.000 1.065 290 L CA -0.403 54.517 54.840 0.134 0.000 0.806 290 L CB 1.283 43.420 42.059 0.130 0.000 1.175 290 L HN 0.723 nan 8.230 nan 0.000 0.431 291 E N 4.929 125.178 120.200 0.081 0.000 2.145 291 E HA 0.512 4.862 4.350 -0.000 0.000 0.270 291 E C -1.357 175.273 176.600 0.051 0.000 0.906 291 E CA -0.605 55.832 56.400 0.061 0.000 0.761 291 E CB 1.449 31.183 29.700 0.058 0.000 1.116 291 E HN 0.510 nan 8.360 nan 0.000 0.408 292 I N 5.618 126.214 120.570 0.043 0.000 2.418 292 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 292 I C -0.587 175.549 176.117 0.030 0.000 1.008 292 I CA -0.689 60.634 61.300 0.037 0.000 1.104 292 I CB 1.532 39.555 38.000 0.038 0.000 1.264 292 I HN 0.439 nan 8.210 nan 0.000 0.438 293 L N 6.413 127.652 121.223 0.028 0.000 2.296 293 L HA 0.317 4.657 4.340 -0.000 0.000 0.286 293 L C 0.652 177.537 176.870 0.025 0.000 1.023 293 L CA -0.618 54.236 54.840 0.023 0.000 0.812 293 L CB 1.894 43.967 42.059 0.023 0.000 1.223 293 L HN 0.614 nan 8.230 nan 0.000 0.421 294 L N 2.776 124.015 121.223 0.025 0.000 2.156 294 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 294 L C 1.331 178.218 176.870 0.029 0.000 1.095 294 L CA 1.253 56.110 54.840 0.028 0.000 0.770 294 L CB -0.435 41.642 42.059 0.031 0.000 0.914 294 L HN 0.726 nan 8.230 nan 0.000 0.439 295 G N -2.517 106.299 108.800 0.027 0.000 3.341 295 G HA2 0.550 4.510 3.960 -0.000 0.000 0.177 295 G HA3 0.550 4.510 3.960 -0.000 0.000 0.177 295 G C 0.069 174.988 174.900 0.032 0.000 1.236 295 G CA -0.061 45.058 45.100 0.031 0.000 0.888 295 G HN 0.430 nan 8.290 nan 0.000 0.644 296 G N -1.963 106.858 108.800 0.034 0.000 2.894 296 G HA2 0.455 4.415 3.960 -0.000 0.000 0.247 296 G HA3 0.455 4.415 3.960 -0.000 0.000 0.247 296 G C 0.216 175.143 174.900 0.045 0.000 1.442 296 G CA 0.155 45.277 45.100 0.036 0.000 0.897 296 G HN 2.140 nan 8.290 nan 0.000 0.550 297 G N -1.551 107.280 108.800 0.052 0.000 2.616 297 G HA2 0.972 4.932 3.960 -0.000 0.000 0.294 297 G HA3 0.972 4.932 3.960 -0.000 0.000 0.294 297 G C -0.550 174.390 174.900 0.067 0.000 1.489 297 G CA 0.856 45.991 45.100 0.058 0.000 0.836 297 G HN 2.300 nan 8.290 nan 0.000 0.527 298 T N -1.745 112.855 114.554 0.076 0.000 2.865 298 T HA 0.502 4.852 4.350 -0.000 0.000 0.294 298 T C 0.098 174.858 174.700 0.099 0.000 1.119 298 T CA -0.568 61.590 62.100 0.097 0.000 1.007 298 T CB 2.166 71.099 68.868 0.109 0.000 1.225 298 T HN 0.197 nan 8.240 nan 0.000 0.515 299 D N 0.725 121.196 120.400 0.118 0.000 2.190 299 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 299 D C 2.282 178.657 176.300 0.125 0.000 0.992 299 D CA 1.741 55.812 54.000 0.117 0.000 0.854 299 D CB -0.581 40.306 40.800 0.145 0.000 0.936 299 D HN 0.763 nan 8.370 nan 0.000 0.462 300 A N 0.632 123.528 122.820 0.127 0.000 2.032 300 A HA -0.106 4.214 4.320 -0.000 0.000 0.221 300 A C 2.388 180.099 177.584 0.212 0.000 1.165 300 A CA 2.042 54.154 52.037 0.125 0.000 0.645 300 A CB -0.999 18.045 19.000 0.074 0.000 0.807 300 A HN 0.324 nan 8.150 nan 0.000 0.453 301 G N -0.991 107.922 108.800 0.188 0.000 2.448 301 G HA2 0.046 4.006 3.960 -0.000 0.000 0.219 301 G HA3 0.046 4.006 3.960 -0.000 0.000 0.219 301 G C 1.551 176.593 174.900 0.238 0.000 1.127 301 G CA 1.334 46.597 45.100 0.270 0.000 0.766 301 G HN 0.792 nan 8.290 nan 0.000 0.552 302 A N 0.429 123.333 122.820 0.140 0.000 1.924 302 A HA 0.312 4.632 4.320 -0.000 0.000 0.211 302 A C 2.307 179.914 177.584 0.039 0.000 1.198 302 A CA 0.545 52.615 52.037 0.056 0.000 0.657 302 A CB -0.150 18.881 19.000 0.052 0.000 0.852 302 A HN 0.283 nan 8.150 nan 0.000 0.454 303 I N 0.862 121.488 120.570 0.094 0.000 2.163 303 I HA -0.323 3.846 4.170 -0.000 0.000 0.243 303 I C 2.555 178.704 176.117 0.052 0.000 1.085 303 I CA 1.778 63.119 61.300 0.068 0.000 1.347 303 I CB -0.654 37.394 38.000 0.079 0.000 1.044 303 I HN 0.640 nan 8.210 nan 0.000 0.408 304 H N 1.436 120.504 119.070 -0.004 0.000 2.521 304 H HA -0.043 4.513 4.556 0.000 0.000 0.286 304 H C 1.692 177.016 175.328 -0.006 0.000 1.034 304 H CA 1.069 57.111 56.048 -0.011 0.000 1.278 304 H CB -0.358 29.405 29.762 0.001 0.000 1.386 304 H HN 0.380 nan 8.280 nan 0.000 0.567 305 L N 1.722 122.687 121.223 -0.430 0.000 2.628 305 L HA 0.142 4.482 4.340 -0.000 0.000 0.229 305 L C 0.214 177.005 176.870 -0.131 0.000 1.137 305 L CA -0.195 54.443 54.840 -0.337 0.000 0.909 305 L CB 0.207 42.033 42.059 -0.390 0.000 1.137 305 L HN 0.017 nan 8.230 nan 0.000 0.470 306 T N 1.509 116.012 114.554 -0.084 0.000 2.853 306 T HA 0.115 4.465 4.350 -0.000 0.000 0.298 306 T C 0.678 175.335 174.700 -0.070 0.000 0.978 306 T CA -0.016 62.062 62.100 -0.036 0.000 1.152 306 T CB 0.779 69.616 68.868 -0.052 0.000 0.914 306 T HN 0.291 nan 8.240 nan 0.000 0.539 307 K N 1.660 122.040 120.400 -0.034 0.000 1.699 307 K HA -0.329 3.991 4.320 -0.000 0.000 0.127 307 K C 1.496 178.058 176.600 -0.064 0.000 1.157 307 K CA 1.192 57.435 56.287 -0.074 0.000 0.341 307 K CB -1.532 30.836 32.500 -0.220 0.000 0.645 307 K HN 0.660 nan 8.250 nan 0.000 0.848 308 A N 1.852 124.620 122.820 -0.086 0.000 2.259 308 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 308 A C 0.638 178.185 177.584 -0.061 0.000 1.201 308 A CA 1.403 53.401 52.037 -0.066 0.000 0.824 308 A CB -0.292 18.666 19.000 -0.070 0.000 0.838 308 A HN 1.224 nan 8.150 nan 0.000 0.485 309 G N -1.807 106.951 108.800 -0.070 0.000 2.911 309 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 309 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 309 G C -0.972 173.892 174.900 -0.061 0.000 1.136 309 G CA -0.413 44.656 45.100 -0.052 0.000 0.764 309 G HN 0.872 nan 8.290 nan 0.000 0.626 310 V N 4.135 124.028 119.914 -0.034 0.000 2.443 310 V HA 0.522 4.642 4.120 -0.000 0.000 0.293 310 V C -2.007 174.083 176.094 -0.007 0.000 1.021 310 V CA -1.528 60.735 62.300 -0.062 0.000 0.848 310 V CB 2.315 34.097 31.823 -0.068 0.000 0.998 310 V HN 0.672 nan 8.190 nan 0.000 0.424 311 P HA 0.219 nan 4.420 nan 0.000 0.262 311 P C -0.388 176.880 177.300 -0.054 0.000 1.199 311 P CA 0.527 63.616 63.100 -0.019 0.000 0.763 311 P CB 0.300 31.909 31.700 -0.152 0.000 0.790 312 T N 2.173 116.699 114.554 -0.047 0.000 2.916 312 T HA 0.683 5.033 4.350 -0.000 0.000 0.298 312 T C 0.113 174.711 174.700 -0.170 0.000 1.031 312 T CA -0.571 61.424 62.100 -0.175 0.000 0.993 312 T CB 2.058 70.898 68.868 -0.046 0.000 1.045 312 T HN 0.374 nan 8.240 nan 0.000 0.454 313 G N 0.564 109.172 108.800 -0.321 0.000 3.042 313 G HA2 0.881 4.841 3.960 -0.000 0.000 0.278 313 G HA3 0.881 4.841 3.960 -0.000 0.000 0.278 313 G C -1.610 173.377 174.900 0.145 0.000 1.371 313 G CA -0.829 44.264 45.100 -0.012 0.000 1.009 313 G HN 1.009 nan 8.290 nan 0.000 0.523 314 A N -0.751 122.211 122.820 0.237 0.000 2.566 314 A HA 0.709 5.029 4.320 -0.000 0.000 0.297 314 A C -1.311 176.390 177.584 0.196 0.000 1.059 314 A CA -0.483 51.692 52.037 0.230 0.000 0.691 314 A CB 1.147 20.232 19.000 0.142 0.000 1.282 314 A HN 0.671 nan 8.150 nan 0.000 0.401 315 L N 1.306 122.631 121.223 0.171 0.000 2.334 315 L HA 0.732 5.072 4.340 -0.000 0.000 0.276 315 L C -0.024 176.902 176.870 0.094 0.000 1.014 315 L CA -0.582 54.323 54.840 0.109 0.000 0.815 315 L CB 2.255 44.358 42.059 0.072 0.000 1.268 315 L HN 0.708 nan 8.230 nan 0.000 0.428 316 S N 0.960 116.704 115.700 0.074 0.000 2.542 316 S HA 0.558 5.028 4.470 -0.000 0.000 0.293 316 S C -0.594 174.029 174.600 0.039 0.000 1.089 316 S CA -0.598 57.638 58.200 0.061 0.000 0.961 316 S CB 2.467 65.701 63.200 0.057 0.000 1.062 316 S HN 0.239 nan 8.310 nan 0.000 0.483 317 V N 3.976 123.905 119.914 0.024 0.000 2.364 317 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 317 V C -2.374 173.708 176.094 -0.020 0.000 1.036 317 V CA -2.062 60.234 62.300 -0.007 0.000 0.880 317 V CB 0.762 32.565 31.823 -0.033 0.000 0.991 317 V HN 0.630 nan 8.190 nan 0.000 0.460 318 P HA 0.262 nan 4.420 nan 0.000 0.265 318 P C -0.634 176.623 177.300 -0.072 0.000 1.193 318 P CA 0.354 63.428 63.100 -0.043 0.000 0.765 318 P CB 0.610 32.286 31.700 -0.039 0.000 0.823 319 A N 3.677 126.449 122.820 -0.080 0.000 2.427 319 A HA 0.548 4.868 4.320 -0.000 0.000 0.298 319 A C -0.424 177.063 177.584 -0.162 0.000 1.036 319 A CA -0.772 51.211 52.037 -0.089 0.000 0.701 319 A CB 1.359 20.350 19.000 -0.014 0.000 1.250 319 A HN 0.408 nan 8.150 nan 0.000 0.412 320 R N 1.064 121.393 120.500 -0.285 0.000 2.459 320 R HA 0.473 4.813 4.340 -0.000 0.000 0.281 320 R C -0.938 175.041 176.300 -0.535 0.000 1.050 320 R CA -0.371 55.336 56.100 -0.656 0.000 1.055 320 R CB 0.309 29.895 30.300 -1.189 0.000 1.045 320 R HN 0.800 nan 8.270 nan 0.000 0.495 321 Y N -1.324 118.982 120.300 0.010 0.000 3.790 321 Y HA -0.224 4.326 4.550 -0.000 0.000 0.226 321 Y C 0.109 176.025 175.900 0.026 0.000 1.257 321 Y CA -0.363 57.741 58.100 0.007 0.000 1.765 321 Y CB -2.643 35.811 38.460 -0.011 0.000 1.552 321 Y HN 0.546 nan 8.280 nan 0.000 0.650 322 I N 1.442 122.063 120.570 0.086 0.000 2.815 322 I HA -0.060 4.110 4.170 -0.000 0.000 0.291 322 I C 1.380 177.600 176.117 0.172 0.000 1.209 322 I CA 0.797 62.142 61.300 0.075 0.000 1.431 322 I CB 0.070 38.037 38.000 -0.055 0.000 1.351 322 I HN 0.516 nan 8.210 nan 0.000 0.585 323 H N 2.452 121.616 119.070 0.156 0.000 2.904 323 H HA -0.130 4.426 4.556 0.000 0.000 0.333 323 H C -0.243 175.192 175.328 0.178 0.000 1.271 323 H CA 0.201 56.380 56.048 0.218 0.000 1.183 323 H CB -0.841 29.057 29.762 0.226 0.000 1.519 323 H HN 0.735 nan 8.280 nan 0.000 0.441 324 S N -0.920 114.823 115.700 0.072 0.000 2.672 324 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 324 S C 0.325 174.413 174.600 -0.854 0.000 1.171 324 S CA -0.648 57.270 58.200 -0.471 0.000 0.817 324 S CB 1.794 64.854 63.200 -0.233 0.000 1.150 324 S HN 0.194 nan 8.310 nan 0.000 0.478 325 N N 0.504 118.393 118.700 -1.352 0.000 2.461 325 N HA 0.097 4.837 4.740 -0.000 0.000 0.188 325 N C 0.517 175.770 175.510 -0.429 0.000 1.134 325 N CA 1.124 53.631 53.050 -0.906 0.000 0.878 325 N CB 0.101 37.922 38.487 -1.109 0.000 0.972 325 N HN 0.798 nan 8.380 nan 0.000 0.456 326 T N -2.789 111.579 114.554 -0.309 0.000 3.741 326 T HA 0.305 4.655 4.350 -0.000 0.000 0.242 326 T C -0.380 174.366 174.700 0.077 0.000 1.042 326 T CA -0.749 61.273 62.100 -0.130 0.000 1.278 326 T CB -0.328 68.442 68.868 -0.163 0.000 0.994 326 T HN -0.001 nan 8.240 nan 0.000 0.594 327 E N 0.875 121.129 120.200 0.090 0.000 2.383 327 E HA 0.475 4.825 4.350 -0.000 0.000 0.264 327 E C -0.607 176.252 176.600 0.432 0.000 1.050 327 E CA -0.680 55.878 56.400 0.264 0.000 0.896 327 E CB 1.456 31.314 29.700 0.263 0.000 0.982 327 E HN 0.232 nan 8.360 nan 0.000 0.424 328 V N 3.238 123.351 119.914 0.332 0.000 2.588 328 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 328 V C -0.378 175.750 176.094 0.057 0.000 1.042 328 V CA -0.704 61.757 62.300 0.269 0.000 0.877 328 V CB 1.958 33.905 31.823 0.206 0.000 0.996 328 V HN 0.391 nan 8.190 nan 0.000 0.425 329 V N 2.805 122.697 119.914 -0.038 0.000 3.078 329 V HA 0.564 4.684 4.120 -0.000 0.000 0.311 329 V C -1.194 174.871 176.094 -0.048 0.000 1.138 329 V CA -0.611 61.566 62.300 -0.205 0.000 1.007 329 V CB 2.532 33.928 31.823 -0.712 0.000 1.045 329 V HN 0.926 nan 8.190 nan 0.000 0.432 330 D N 1.562 121.939 120.400 -0.038 0.000 2.308 330 D HA 0.251 4.891 4.640 -0.000 0.000 0.242 330 D C 0.981 177.317 176.300 0.060 0.000 1.059 330 D CA -0.252 53.760 54.000 0.021 0.000 0.830 330 D CB 2.201 42.995 40.800 -0.011 0.000 1.161 330 D HN 0.815 nan 8.370 nan 0.000 0.494 331 E N 3.376 123.684 120.200 0.180 0.000 2.160 331 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 331 E C 1.211 177.862 176.600 0.085 0.000 0.991 331 E CA 0.896 57.427 56.400 0.219 0.000 0.810 331 E CB 0.038 29.984 29.700 0.409 0.000 0.742 331 E HN 0.380 nan 8.360 nan 0.000 0.466 332 R N 0.738 121.243 120.500 0.008 0.000 2.092 332 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 332 R C 1.715 178.000 176.300 -0.025 0.000 1.119 332 R CA 1.583 57.653 56.100 -0.049 0.000 0.970 332 R CB -0.101 30.106 30.300 -0.155 0.000 0.864 332 R HN 0.280 nan 8.270 nan 0.000 0.440 333 D N 0.044 120.432 120.400 -0.020 0.000 2.149 333 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 333 D C 1.977 178.276 176.300 -0.001 0.000 0.972 333 D CA 0.911 54.903 54.000 -0.013 0.000 0.835 333 D CB -0.174 40.614 40.800 -0.021 0.000 0.966 333 D HN 0.006 nan 8.370 nan 0.000 0.476 334 V N 1.244 121.160 119.914 0.003 0.000 2.295 334 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 334 V C 2.187 178.311 176.094 0.050 0.000 1.049 334 V CA 1.921 64.236 62.300 0.025 0.000 1.024 334 V CB -0.551 31.279 31.823 0.013 0.000 0.648 334 V HN 0.088 nan 8.190 nan 0.000 0.447 335 D N 0.421 120.850 120.400 0.050 0.000 2.116 335 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 335 D C 2.105 178.411 176.300 0.010 0.000 0.998 335 D CA 1.771 55.794 54.000 0.038 0.000 0.836 335 D CB -0.210 40.611 40.800 0.035 0.000 0.951 335 D HN 0.372 nan 8.370 nan 0.000 0.449 336 A N -0.747 122.076 122.820 0.005 0.000 1.940 336 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 336 A C 2.360 179.939 177.584 -0.008 0.000 1.176 336 A CA 2.297 54.333 52.037 -0.001 0.000 0.631 336 A CB -1.019 17.987 19.000 0.009 0.000 0.814 336 A HN 0.360 nan 8.150 nan 0.000 0.446 337 T N -0.389 114.165 114.554 0.001 0.000 2.737 337 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 337 T C 1.883 176.568 174.700 -0.025 0.000 1.038 337 T CA 1.509 63.607 62.100 -0.004 0.000 1.144 337 T CB -0.503 68.374 68.868 0.014 0.000 0.866 337 T HN 0.153 nan 8.240 nan 0.000 0.434 338 V N 1.754 121.654 119.914 -0.023 0.000 2.287 338 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 338 V C 2.753 178.805 176.094 -0.070 0.000 1.053 338 V CA 1.633 63.901 62.300 -0.053 0.000 1.027 338 V CB -0.512 31.275 31.823 -0.060 0.000 0.646 338 V HN 0.426 nan 8.190 nan 0.000 0.447 339 E N -0.344 119.817 120.200 -0.064 0.000 2.051 339 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 339 E C 2.134 178.659 176.600 -0.125 0.000 0.991 339 E CA 1.151 57.499 56.400 -0.087 0.000 0.799 339 E CB -0.460 29.200 29.700 -0.066 0.000 0.748 339 E HN 0.427 nan 8.360 nan 0.000 0.449 340 L N 0.666 121.820 121.223 -0.114 0.000 2.046 340 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 340 L C 2.377 179.131 176.870 -0.195 0.000 1.077 340 L CA 1.522 56.266 54.840 -0.160 0.000 0.747 340 L CB -0.590 41.392 42.059 -0.129 0.000 0.896 340 L HN 0.097 nan 8.230 nan 0.000 0.432 341 M N -0.986 118.523 119.600 -0.151 0.000 2.086 341 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 341 M C 2.128 178.341 176.300 -0.145 0.000 1.067 341 M CA 2.325 57.523 55.300 -0.170 0.000 1.116 341 M CB -0.969 31.575 32.600 -0.095 0.000 1.348 341 M HN 0.300 nan 8.290 nan 0.000 0.407 342 T N 0.766 115.255 114.554 -0.108 0.000 2.652 342 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 342 T C 1.869 176.499 174.700 -0.117 0.000 1.039 342 T CA 1.547 63.594 62.100 -0.087 0.000 1.153 342 T CB -0.235 68.581 68.868 -0.088 0.000 0.863 342 T HN 0.262 nan 8.240 nan 0.000 0.428 343 K N 1.474 121.761 120.400 -0.188 0.000 2.063 343 K HA 0.033 4.353 4.320 -0.000 0.000 0.208 343 K C 2.599 179.083 176.600 -0.193 0.000 1.048 343 K CA 1.379 57.518 56.287 -0.248 0.000 0.928 343 K CB -0.942 31.318 32.500 -0.399 0.000 0.713 343 K HN 0.399 nan 8.250 nan 0.000 0.442 344 A N 1.509 124.183 122.820 -0.244 0.000 1.865 344 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 344 A C 2.367 180.006 177.584 0.091 0.000 1.191 344 A CA 1.417 53.337 52.037 -0.195 0.000 0.623 344 A CB -0.725 18.075 19.000 -0.335 0.000 0.826 344 A HN 0.212 nan 8.150 nan 0.000 0.444 345 L N -0.911 120.302 121.223 -0.017 0.000 2.141 345 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 345 L C 2.376 179.300 176.870 0.091 0.000 1.094 345 L CA 1.398 56.260 54.840 0.036 0.000 0.763 345 L CB -0.524 41.533 42.059 -0.003 0.000 0.908 345 L HN 0.475 nan 8.230 nan 0.000 0.437 346 E N -0.282 119.958 120.200 0.067 0.000 2.358 346 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 346 E C 1.178 177.915 176.600 0.228 0.000 1.010 346 E CA 0.375 56.832 56.400 0.096 0.000 0.856 346 E CB 0.164 29.881 29.700 0.029 0.000 0.795 346 E HN 0.467 nan 8.360 nan 0.000 0.504 347 N N 0.052 118.906 118.700 0.258 0.000 2.171 347 N HA 0.102 4.842 4.740 -0.000 0.000 0.212 347 N C 1.340 177.056 175.510 0.343 0.000 1.184 347 N CA 0.023 53.261 53.050 0.313 0.000 0.888 347 N CB 0.734 39.379 38.487 0.265 0.000 1.038 347 N HN 0.135 nan 8.380 nan 0.000 0.517 348 I N 1.630 122.399 120.570 0.332 0.000 2.493 348 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 348 I C 2.106 178.189 176.117 -0.056 0.000 1.160 348 I CA 1.230 62.552 61.300 0.036 0.000 1.445 348 I CB 0.027 38.041 38.000 0.024 0.000 1.086 348 I HN 0.224 nan 8.210 nan 0.000 0.433 349 H N -1.053 118.025 119.070 0.014 0.000 2.543 349 H HA -0.051 4.505 4.556 0.000 0.000 0.286 349 H C 1.687 177.015 175.328 0.001 0.000 1.037 349 H CA 1.044 57.105 56.048 0.021 0.000 1.250 349 H CB -0.281 29.506 29.762 0.040 0.000 1.373 349 H HN 0.441 nan 8.280 nan 0.000 0.580 350 E N 0.268 120.213 120.200 -0.426 0.000 2.389 350 E HA 0.082 4.432 4.350 -0.000 0.000 0.199 350 E C 0.006 176.463 176.600 -0.239 0.000 0.978 350 E CA -0.383 55.819 56.400 -0.329 0.000 0.912 350 E CB 0.378 29.886 29.700 -0.320 0.000 0.907 350 E HN 0.257 nan 8.360 nan 0.000 0.494 351 L N 2.184 123.171 121.223 -0.393 0.000 2.559 351 L HA 0.009 4.349 4.340 -0.000 0.000 0.274 351 L C -0.413 176.267 176.870 -0.318 0.000 1.205 351 L CA 0.590 55.060 54.840 -0.616 0.000 0.907 351 L CB 0.311 41.632 42.059 -1.230 0.000 1.153 351 L HN -0.300 nan 8.230 nan 0.000 0.490 352 K N 5.694 125.951 120.400 -0.237 0.000 2.425 352 K HA 0.630 4.950 4.320 -0.000 0.000 0.259 352 K C -0.938 175.606 176.600 -0.093 0.000 0.978 352 K CA -0.190 56.031 56.287 -0.110 0.000 0.883 352 K CB 0.580 33.039 32.500 -0.068 0.000 1.110 352 K HN 0.623 nan 8.250 nan 0.000 0.436 353 I N 0.000 120.536 120.570 -0.056 0.000 2.984 353 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 353 I CA 0.000 61.267 61.300 -0.055 0.000 1.566 353 I CB 0.000 37.918 38.000 -0.137 0.000 1.214 353 I HN 0.000 nan 8.210 nan 0.000 0.494