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 2gd6_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.539 177.584 -0.074 0.000 1.274 2 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 2 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 3 G N 0.282 109.019 108.800 -0.105 0.000 2.516 3 G HA2 0.450 4.410 3.960 -0.000 0.000 0.276 3 G HA3 0.450 4.410 3.960 -0.000 0.000 0.276 3 G C -0.894 173.846 174.900 -0.266 0.000 1.390 3 G CA -0.102 44.884 45.100 -0.190 0.000 1.050 3 G HN 0.095 nan 8.290 nan 0.000 0.519 4 P HA -0.026 nan 4.420 nan 0.000 0.220 4 P C 1.268 178.415 177.300 -0.255 0.000 1.148 4 P CA 0.978 63.818 63.100 -0.433 0.000 0.803 4 P CB 0.195 31.432 31.700 -0.772 0.000 0.782 5 L N -0.927 120.161 121.223 -0.226 0.000 2.700 5 L HA 0.190 4.530 4.340 -0.000 0.000 0.234 5 L C 1.044 177.855 176.870 -0.099 0.000 1.156 5 L CA -0.269 54.488 54.840 -0.139 0.000 0.946 5 L CB -0.231 41.757 42.059 -0.120 0.000 1.216 5 L HN -0.119 nan 8.230 nan 0.000 0.493 6 S N 0.524 116.164 115.700 -0.101 0.000 2.596 6 S HA 0.244 4.714 4.470 -0.000 0.000 0.298 6 S C 1.235 175.798 174.600 -0.062 0.000 1.255 6 S CA 1.142 59.300 58.200 -0.069 0.000 1.083 6 S CB 0.241 63.401 63.200 -0.066 0.000 0.837 6 S HN 0.713 nan 8.310 nan 0.000 0.499 7 G N 3.337 112.105 108.800 -0.053 0.000 2.278 7 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.210 7 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.210 7 G C -0.122 174.719 174.900 -0.098 0.000 1.000 7 G CA -0.065 44.993 45.100 -0.068 0.000 0.635 7 G HN 0.844 nan 8.290 nan 0.000 0.495 8 L N 2.453 123.626 121.223 -0.083 0.000 2.360 8 L HA 0.684 5.024 4.340 -0.000 0.000 0.276 8 L C 0.630 177.439 176.870 -0.103 0.000 1.121 8 L CA -0.301 54.482 54.840 -0.095 0.000 0.845 8 L CB 0.395 42.414 42.059 -0.065 0.000 1.143 8 L HN 0.263 nan 8.230 nan 0.000 0.452 9 R N 4.125 124.508 120.500 -0.195 0.000 2.255 9 R HA 0.641 4.981 4.340 -0.000 0.000 0.326 9 R C -1.296 174.948 176.300 -0.094 0.000 0.986 9 R CA -0.668 55.272 56.100 -0.267 0.000 0.847 9 R CB 1.526 31.287 30.300 -0.898 0.000 1.111 9 R HN 0.452 nan 8.270 nan 0.000 0.452 10 V N 4.004 123.983 119.914 0.108 0.000 2.531 10 V HA 0.322 4.442 4.120 -0.000 0.000 0.301 10 V C -0.324 175.892 176.094 0.205 0.000 1.034 10 V CA -0.904 61.461 62.300 0.108 0.000 0.865 10 V CB 2.138 33.995 31.823 0.058 0.000 0.995 10 V HN 0.437 nan 8.190 nan 0.000 0.424 11 V N 4.226 124.222 119.914 0.137 0.000 2.370 11 V HA 0.422 4.542 4.120 -0.000 0.000 0.279 11 V C 0.080 176.186 176.094 0.020 0.000 1.029 11 V CA -0.396 61.967 62.300 0.105 0.000 0.870 11 V CB 1.521 33.409 31.823 0.109 0.000 0.984 11 V HN 0.956 nan 8.190 nan 0.000 0.451 12 E N 5.413 125.622 120.200 0.016 0.000 2.145 12 E HA 0.457 4.807 4.350 -0.000 0.000 0.270 12 E C -1.269 175.326 176.600 -0.008 0.000 0.906 12 E CA -0.716 55.676 56.400 -0.013 0.000 0.761 12 E CB 1.413 31.111 29.700 -0.003 0.000 1.116 12 E HN 0.634 nan 8.360 nan 0.000 0.408 13 L N 3.763 124.968 121.223 -0.031 0.000 2.283 13 L HA 0.347 4.687 4.340 -0.000 0.000 0.287 13 L C 0.500 177.365 176.870 -0.008 0.000 1.073 13 L CA -0.709 54.146 54.840 0.026 0.000 0.822 13 L CB 1.034 43.154 42.059 0.101 0.000 1.186 13 L HN 0.643 nan 8.230 nan 0.000 0.436 14 A N 3.500 126.355 122.820 0.059 0.000 2.558 14 A HA 0.361 4.681 4.320 -0.000 0.000 0.262 14 A C 0.756 178.366 177.584 0.043 0.000 1.049 14 A CA 0.884 52.952 52.037 0.051 0.000 0.804 14 A CB -0.440 18.605 19.000 0.075 0.000 0.957 14 A HN 0.887 nan 8.150 nan 0.000 0.520 15 G N 0.972 109.757 108.800 -0.025 0.000 3.243 15 G HA2 0.667 4.627 3.960 -0.000 0.000 0.248 15 G HA3 0.667 4.627 3.960 -0.000 0.000 0.248 15 G C -0.757 174.155 174.900 0.020 0.000 1.267 15 G CA -0.741 44.336 45.100 -0.039 0.000 0.906 15 G HN 0.686 nan 8.290 nan 0.000 0.592 16 I N -0.646 119.937 120.570 0.020 0.000 2.828 16 I HA 0.606 4.776 4.170 -0.000 0.000 0.302 16 I C 0.888 177.035 176.117 0.049 0.000 1.101 16 I CA 0.520 61.855 61.300 0.058 0.000 1.031 16 I CB 2.191 40.240 38.000 0.081 0.000 1.231 16 I HN 1.176 nan 8.210 nan 0.000 0.427 17 G N 5.140 113.995 108.800 0.091 0.000 2.536 17 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.277 17 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.277 17 G C -1.839 173.131 174.900 0.116 0.000 1.155 17 G CA 0.178 45.312 45.100 0.057 0.000 0.960 17 G HN 0.461 nan 8.290 nan 0.000 0.544 18 P HA -0.062 nan 4.420 nan 0.000 0.215 18 P C 2.067 179.456 177.300 0.148 0.000 1.153 18 P CA 2.946 66.094 63.100 0.082 0.000 0.853 18 P CB -0.800 30.875 31.700 -0.042 0.000 0.788 19 G N 1.426 110.259 108.800 0.055 0.000 2.480 19 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 19 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 19 G C -0.595 174.343 174.900 0.063 0.000 1.200 19 G CA 1.413 46.527 45.100 0.024 0.000 0.782 19 G HN 0.290 nan 8.290 nan 0.000 0.554 20 P HA -0.135 nan 4.420 nan 0.000 0.218 20 P C 1.248 178.633 177.300 0.142 0.000 1.148 20 P CA 1.680 64.840 63.100 0.099 0.000 0.822 20 P CB -0.151 31.614 31.700 0.109 0.000 0.784 21 H N 0.509 119.655 119.070 0.128 0.000 2.357 21 H HA 0.062 4.618 4.556 -0.000 0.000 0.301 21 H C 1.976 177.358 175.328 0.090 0.000 1.082 21 H CA 1.923 58.047 56.048 0.126 0.000 1.342 21 H CB -0.660 29.271 29.762 0.281 0.000 1.389 21 H HN -0.018 nan 8.280 nan 0.000 0.511 22 A N 0.935 123.807 122.820 0.088 0.000 1.883 22 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 22 A C 2.606 180.166 177.584 -0.039 0.000 1.186 22 A CA 1.970 54.006 52.037 -0.000 0.000 0.624 22 A CB -1.443 17.591 19.000 0.056 0.000 0.822 22 A HN 0.616 nan 8.150 nan 0.000 0.444 23 A N -0.782 122.033 122.820 -0.007 0.000 1.933 23 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 23 A C 2.269 179.837 177.584 -0.025 0.000 1.175 23 A CA 1.874 53.905 52.037 -0.010 0.000 0.628 23 A CB -0.563 18.441 19.000 0.006 0.000 0.814 23 A HN 0.641 nan 8.150 nan 0.000 0.444 24 M N -0.392 119.185 119.600 -0.038 0.000 2.073 24 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 24 M C 1.942 178.190 176.300 -0.086 0.000 1.070 24 M CA 2.095 57.363 55.300 -0.054 0.000 1.103 24 M CB -0.331 32.233 32.600 -0.059 0.000 1.321 24 M HN 0.424 nan 8.290 nan 0.000 0.405 25 I N 0.341 120.818 120.570 -0.155 0.000 2.394 25 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 25 I C 2.156 178.233 176.117 -0.067 0.000 1.136 25 I CA 0.949 62.170 61.300 -0.132 0.000 1.425 25 I CB -0.311 37.576 38.000 -0.188 0.000 1.079 25 I HN 0.382 nan 8.210 nan 0.000 0.425 26 L N 0.144 121.334 121.223 -0.056 0.000 2.056 26 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 26 L C 2.671 179.520 176.870 -0.035 0.000 1.078 26 L CA 1.523 56.340 54.840 -0.038 0.000 0.749 26 L CB -1.126 40.918 42.059 -0.025 0.000 0.901 26 L HN 0.291 nan 8.230 nan 0.000 0.433 27 G N -0.389 108.395 108.800 -0.028 0.000 2.404 27 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 27 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 27 G C 1.096 175.978 174.900 -0.031 0.000 1.174 27 G CA 0.760 45.848 45.100 -0.020 0.000 0.780 27 G HN 0.273 nan 8.290 nan 0.000 0.537 28 D N 0.633 121.012 120.400 -0.034 0.000 2.170 28 D HA -0.114 4.526 4.640 -0.000 0.000 0.193 28 D C 2.226 178.504 176.300 -0.036 0.000 1.004 28 D CA 0.755 54.735 54.000 -0.033 0.000 0.860 28 D CB -0.217 40.568 40.800 -0.024 0.000 0.931 28 D HN 0.299 nan 8.370 nan 0.000 0.448 29 L N -1.313 119.881 121.223 -0.048 0.000 2.611 29 L HA 0.279 4.619 4.340 -0.000 0.000 0.229 29 L C 1.466 178.261 176.870 -0.125 0.000 1.137 29 L CA 0.477 55.260 54.840 -0.095 0.000 0.901 29 L CB 0.119 42.108 42.059 -0.117 0.000 1.098 29 L HN 0.193 nan 8.230 nan 0.000 0.456 30 G N -0.133 108.620 108.800 -0.080 0.000 2.255 30 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.196 30 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.196 30 G C 0.495 175.367 174.900 -0.045 0.000 0.998 30 G CA -0.135 44.922 45.100 -0.070 0.000 0.656 30 G HN 0.435 nan 8.290 nan 0.000 0.490 31 A N 0.332 123.128 122.820 -0.040 0.000 2.466 31 A HA 0.465 4.785 4.320 -0.000 0.000 0.238 31 A C 0.275 177.875 177.584 0.026 0.000 1.074 31 A CA 0.819 52.846 52.037 -0.015 0.000 0.774 31 A CB 0.284 19.275 19.000 -0.016 0.000 1.015 31 A HN 0.361 nan 8.150 nan 0.000 0.498 32 D N 1.771 122.212 120.400 0.067 0.000 2.453 32 D HA 0.370 5.010 4.640 -0.000 0.000 0.223 32 D C -0.729 175.707 176.300 0.225 0.000 1.183 32 D CA 0.106 54.206 54.000 0.167 0.000 0.933 32 D CB 0.164 41.120 40.800 0.260 0.000 1.038 32 D HN 0.116 nan 8.370 nan 0.000 0.513 33 V N 3.983 123.979 119.914 0.137 0.000 2.394 33 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 33 V C 0.300 176.439 176.094 0.076 0.000 1.031 33 V CA -0.837 61.531 62.300 0.113 0.000 0.881 33 V CB 1.787 33.641 31.823 0.052 0.000 0.982 33 V HN 0.225 nan 8.190 nan 0.000 0.451 34 V N 5.955 125.914 119.914 0.076 0.000 2.378 34 V HA 0.489 4.609 4.120 -0.000 0.000 0.288 34 V C 0.103 176.190 176.094 -0.012 0.000 1.016 34 V CA -0.664 61.614 62.300 -0.037 0.000 0.840 34 V CB 1.641 33.333 31.823 -0.219 0.000 0.994 34 V HN 0.888 nan 8.190 nan 0.000 0.431 35 R N 5.305 125.792 120.500 -0.022 0.000 2.338 35 R HA 0.633 4.973 4.340 -0.000 0.000 0.317 35 R C -1.098 175.196 176.300 -0.010 0.000 0.968 35 R CA -0.581 55.516 56.100 -0.005 0.000 0.849 35 R CB 1.034 31.336 30.300 0.003 0.000 1.128 35 R HN 0.684 nan 8.270 nan 0.000 0.448 36 I N 4.226 124.800 120.570 0.007 0.000 2.297 36 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 36 I C 0.051 176.190 176.117 0.037 0.000 1.033 36 I CA -0.319 60.990 61.300 0.014 0.000 1.253 36 I CB 1.255 39.269 38.000 0.023 0.000 1.396 36 I HN 0.568 nan 8.210 nan 0.000 0.476 37 D N 5.829 126.246 120.400 0.028 0.000 2.384 37 D HA 0.344 4.984 4.640 -0.000 0.000 0.250 37 D C -0.079 176.242 176.300 0.035 0.000 1.029 37 D CA -0.678 53.346 54.000 0.040 0.000 0.990 37 D CB 1.701 42.520 40.800 0.032 0.000 1.175 37 D HN 0.317 nan 8.370 nan 0.000 0.532 38 R N 0.898 121.421 120.500 0.039 0.000 2.643 38 R HA 0.187 4.527 4.340 -0.000 0.000 0.270 38 R C -1.635 174.675 176.300 0.016 0.000 1.061 38 R CA -0.954 55.162 56.100 0.026 0.000 1.107 38 R CB 0.352 30.669 30.300 0.027 0.000 0.999 38 R HN 0.348 nan 8.270 nan 0.000 0.460 46 S N 6.018 121.721 115.700 0.004 0.000 2.584 46 S HA 0.553 5.023 4.470 -0.000 0.000 0.273 46 S C 0.833 175.437 174.600 0.006 0.000 1.311 46 S CA -0.430 57.775 58.200 0.007 0.000 1.034 46 S CB 1.041 64.248 63.200 0.012 0.000 0.939 46 S HN 0.748 nan 8.310 nan 0.000 0.513 47 R N 1.283 121.787 120.500 0.005 0.000 2.312 47 R HA 0.110 4.450 4.340 -0.000 0.000 0.205 47 R C -0.381 175.921 176.300 0.003 0.000 0.904 47 R CA -0.016 56.084 56.100 0.001 0.000 1.052 47 R CB -0.112 30.186 30.300 -0.003 0.000 1.014 47 R HN 0.623 nan 8.270 nan 0.000 0.503 48 D N 0.947 121.353 120.400 0.011 0.000 2.374 48 D HA 0.110 4.750 4.640 -0.000 0.000 0.240 48 D C 0.838 177.152 176.300 0.022 0.000 1.229 48 D CA -0.093 53.917 54.000 0.017 0.000 0.895 48 D CB 1.306 42.122 40.800 0.027 0.000 1.046 48 D HN 0.085 nan 8.370 nan 0.000 0.498 49 A N 4.489 127.320 122.820 0.018 0.000 2.125 49 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 49 A C 2.060 179.673 177.584 0.047 0.000 1.156 49 A CA 1.023 53.079 52.037 0.032 0.000 0.671 49 A CB -0.549 18.462 19.000 0.018 0.000 0.794 49 A HN 0.741 nan 8.150 nan 0.000 0.459 50 M N -0.512 119.114 119.600 0.044 0.000 2.279 50 M HA -0.010 4.469 4.480 -0.000 0.000 0.264 50 M C 0.531 176.864 176.300 0.054 0.000 1.062 50 M CA 1.438 56.773 55.300 0.058 0.000 1.099 50 M CB -0.216 32.431 32.600 0.077 0.000 1.394 50 M HN 0.318 nan 8.290 nan 0.000 0.426 51 L N 2.385 123.635 121.223 0.045 0.000 2.779 51 L HA 0.159 4.499 4.340 -0.000 0.000 0.239 51 L C 0.711 177.599 176.870 0.031 0.000 1.245 51 L CA -0.467 54.394 54.840 0.035 0.000 1.064 51 L CB -1.219 40.858 42.059 0.030 0.000 1.350 51 L HN 0.360 nan 8.230 nan 0.000 0.455 52 R N -0.571 119.952 120.500 0.039 0.000 2.637 52 R HA 0.123 4.463 4.340 -0.000 0.000 0.269 52 R C -0.094 176.216 176.300 0.018 0.000 1.089 52 R CA -0.547 55.575 56.100 0.037 0.000 1.177 52 R CB 0.269 30.610 30.300 0.068 0.000 1.091 52 R HN 0.145 nan 8.270 nan 0.000 0.540 53 N N 0.603 119.307 118.700 0.007 0.000 2.738 53 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 53 N C -1.157 174.355 175.510 0.003 0.000 1.047 53 N CA 0.993 54.042 53.050 -0.003 0.000 0.707 53 N CB -0.456 38.025 38.487 -0.010 0.000 0.937 53 N HN 0.596 nan 8.380 nan 0.000 0.545 54 R N 0.196 120.697 120.500 0.002 0.000 2.905 54 R HA 0.543 4.883 4.340 -0.000 0.000 0.260 54 R C 0.377 176.670 176.300 -0.013 0.000 1.086 54 R CA -0.642 55.458 56.100 0.001 0.000 0.978 54 R CB 1.359 31.660 30.300 0.002 0.000 1.215 54 R HN 0.092 nan 8.270 nan 0.000 0.480 55 R N 0.829 121.312 120.500 -0.028 0.000 2.494 55 R HA 0.514 4.854 4.340 -0.000 0.000 0.305 55 R C -0.361 175.907 176.300 -0.053 0.000 0.959 55 R CA -0.833 55.235 56.100 -0.053 0.000 0.864 55 R CB 1.480 31.723 30.300 -0.096 0.000 1.159 55 R HN 0.336 nan 8.270 nan 0.000 0.446 56 I N 4.796 125.339 120.570 -0.044 0.000 2.336 56 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 56 I C 0.459 176.548 176.117 -0.047 0.000 0.991 56 I CA -0.568 60.712 61.300 -0.034 0.000 1.227 56 I CB 1.188 39.177 38.000 -0.018 0.000 1.366 56 I HN 0.376 nan 8.210 nan 0.000 0.466 57 V N 2.910 122.795 119.914 -0.048 0.000 3.126 57 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 57 V C -0.443 175.635 176.094 -0.027 0.000 1.138 57 V CA -0.480 61.791 62.300 -0.049 0.000 1.034 57 V CB 2.170 33.947 31.823 -0.077 0.000 1.075 57 V HN 0.764 nan 8.190 nan 0.000 0.442 58 T N 0.780 115.321 114.554 -0.022 0.000 2.900 58 T HA 0.873 5.223 4.350 -0.000 0.000 0.295 58 T C -0.762 173.934 174.700 -0.008 0.000 1.044 58 T CA 0.269 62.364 62.100 -0.008 0.000 0.995 58 T CB 1.326 70.192 68.868 -0.005 0.000 1.072 58 T HN 2.069 nan 8.240 nan 0.000 0.473 59 A N 2.983 125.804 122.820 0.001 0.000 2.555 59 A HA 0.540 4.859 4.320 -0.000 0.000 0.297 59 A C -1.372 176.215 177.584 0.005 0.000 1.060 59 A CA -0.766 51.272 52.037 0.002 0.000 0.710 59 A CB 1.514 20.515 19.000 0.001 0.000 1.282 59 A HN 0.750 nan 8.150 nan 0.000 0.399 60 D N 2.628 123.029 120.400 0.002 0.000 2.402 60 D HA 0.296 4.936 4.640 -0.000 0.000 0.235 60 D C 0.843 177.142 176.300 -0.001 0.000 1.226 60 D CA -0.122 53.877 54.000 -0.001 0.000 0.918 60 D CB 0.061 40.860 40.800 -0.003 0.000 1.043 60 D HN 0.419 nan 8.370 nan 0.000 0.506 61 L N 2.844 124.066 121.223 -0.003 0.000 2.456 61 L HA -0.055 4.285 4.340 -0.000 0.000 0.224 61 L C 2.044 178.910 176.870 -0.007 0.000 1.148 61 L CA 0.700 55.539 54.840 -0.000 0.000 0.825 61 L CB -0.136 41.924 42.059 0.001 0.000 0.937 61 L HN 0.326 nan 8.230 nan 0.000 0.450 62 K N -0.241 120.151 120.400 -0.014 0.000 2.426 62 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 62 K C 0.963 177.559 176.600 -0.006 0.000 1.028 62 K CA 0.045 56.323 56.287 -0.014 0.000 1.047 62 K CB 0.282 32.769 32.500 -0.021 0.000 0.821 62 K HN 0.304 nan 8.250 nan 0.000 0.513 63 S N -0.239 115.459 115.700 -0.003 0.000 2.654 63 S HA 0.162 4.632 4.470 -0.000 0.000 0.283 63 S C 0.517 175.118 174.600 0.003 0.000 1.180 63 S CA -0.838 57.362 58.200 -0.000 0.000 1.021 63 S CB 1.651 64.850 63.200 -0.000 0.000 1.018 63 S HN -0.075 nan 8.310 nan 0.000 0.532 64 D N 0.643 121.045 120.400 0.004 0.000 2.117 64 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 64 D C 1.901 178.206 176.300 0.007 0.000 0.987 64 D CA 1.530 55.534 54.000 0.006 0.000 0.829 64 D CB -0.311 40.492 40.800 0.005 0.000 0.961 64 D HN 0.799 nan 8.370 nan 0.000 0.460 65 Q N 0.274 120.077 119.800 0.005 0.000 2.020 65 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 65 Q C 2.156 178.160 176.000 0.006 0.000 0.982 65 Q CA 1.996 57.802 55.803 0.005 0.000 0.838 65 Q CB -0.432 28.307 28.738 0.002 0.000 0.899 65 Q HN 0.262 nan 8.270 nan 0.000 0.423 66 G N 1.283 110.086 108.800 0.005 0.000 2.418 66 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 66 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 66 G C 1.376 176.284 174.900 0.012 0.000 1.158 66 G CA 0.889 45.993 45.100 0.006 0.000 0.771 66 G HN 0.397 nan 8.290 nan 0.000 0.545 67 L N 0.628 121.860 121.223 0.014 0.000 2.046 67 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 67 L C 2.618 179.503 176.870 0.025 0.000 1.077 67 L CA 2.618 57.471 54.840 0.021 0.000 0.747 67 L CB -0.520 41.550 42.059 0.020 0.000 0.896 67 L HN 0.447 nan 8.230 nan 0.000 0.432 68 E N -0.455 119.757 120.200 0.020 0.000 2.051 68 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 68 E C 2.224 178.838 176.600 0.024 0.000 0.991 68 E CA 1.744 58.157 56.400 0.022 0.000 0.799 68 E CB -0.271 29.439 29.700 0.016 0.000 0.748 68 E HN 0.599 nan 8.360 nan 0.000 0.449 69 L N 0.499 121.732 121.223 0.017 0.000 2.046 69 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 69 L C 2.708 179.591 176.870 0.021 0.000 1.077 69 L CA 1.216 56.064 54.840 0.014 0.000 0.747 69 L CB -0.437 41.623 42.059 0.002 0.000 0.896 69 L HN 0.236 nan 8.230 nan 0.000 0.432 70 A N -0.114 122.721 122.820 0.025 0.000 1.898 70 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 70 A C 2.245 179.861 177.584 0.054 0.000 1.181 70 A CA 1.345 53.403 52.037 0.036 0.000 0.620 70 A CB -0.722 18.300 19.000 0.038 0.000 0.819 70 A HN 0.347 nan 8.150 nan 0.000 0.442 71 L N -0.749 120.506 121.223 0.052 0.000 2.131 71 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 71 L C 2.513 179.422 176.870 0.065 0.000 1.092 71 L CA 1.533 56.409 54.840 0.060 0.000 0.759 71 L CB -0.309 41.782 42.059 0.052 0.000 0.903 71 L HN 0.373 nan 8.230 nan 0.000 0.435 72 K N -0.660 119.776 120.400 0.060 0.000 2.148 72 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 72 K C 1.948 178.612 176.600 0.108 0.000 1.050 72 K CA 0.818 57.146 56.287 0.069 0.000 0.942 72 K CB -0.049 32.482 32.500 0.052 0.000 0.724 72 K HN 0.082 nan 8.250 nan 0.000 0.446 73 L N 1.096 122.385 121.223 0.109 0.000 2.072 73 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 73 L C 1.839 178.858 176.870 0.249 0.000 1.079 73 L CA 1.426 56.372 54.840 0.178 0.000 0.752 73 L CB -0.153 41.956 42.059 0.084 0.000 0.906 73 L HN 0.093 nan 8.230 nan 0.000 0.436 74 I N -0.820 119.840 120.570 0.150 0.000 2.439 74 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 74 I C 2.452 178.624 176.117 0.091 0.000 1.139 74 I CA 0.965 62.335 61.300 0.117 0.000 1.438 74 I CB -0.464 37.584 38.000 0.081 0.000 1.085 74 I HN 0.244 nan 8.210 nan 0.000 0.427 75 A N 0.223 123.097 122.820 0.089 0.000 2.024 75 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 75 A C 2.067 179.675 177.584 0.040 0.000 1.164 75 A CA 1.543 53.617 52.037 0.061 0.000 0.643 75 A CB -0.184 18.851 19.000 0.060 0.000 0.806 75 A HN 0.187 nan 8.150 nan 0.000 0.451 76 K N -0.839 119.604 120.400 0.071 0.000 2.358 76 K HA 0.409 4.729 4.320 -0.000 0.000 0.197 76 K C 0.534 176.993 176.600 -0.236 0.000 1.025 76 K CA 0.654 56.935 56.287 -0.010 0.000 1.104 76 K CB 0.090 32.683 32.500 0.154 0.000 0.855 76 K HN 0.432 nan 8.250 nan 0.000 0.531 77 A N 0.941 123.673 122.820 -0.146 0.000 2.269 77 A HA 0.311 4.631 4.320 -0.000 0.000 0.319 77 A C 0.417 177.898 177.584 -0.172 0.000 1.110 77 A CA -0.404 51.480 52.037 -0.253 0.000 0.847 77 A CB 0.664 19.647 19.000 -0.028 0.000 1.161 77 A HN 0.004 nan 8.150 nan 0.000 0.497 78 D N -0.794 119.501 120.400 -0.176 0.000 2.277 78 D HA 0.142 4.782 4.640 -0.000 0.000 0.209 78 D C -0.144 176.124 176.300 -0.053 0.000 0.970 78 D CA 1.318 55.255 54.000 -0.105 0.000 0.874 78 D CB 0.473 41.206 40.800 -0.112 0.000 0.982 78 D HN 0.196 nan 8.370 nan 0.000 0.504 79 V N 1.611 121.497 119.914 -0.047 0.000 2.686 79 V HA 0.319 4.438 4.120 -0.000 0.000 0.306 79 V C -0.831 175.236 176.094 -0.046 0.000 1.065 79 V CA -0.956 61.325 62.300 -0.032 0.000 0.894 79 V CB 2.779 34.588 31.823 -0.022 0.000 1.004 79 V HN -0.067 nan 8.190 nan 0.000 0.424 80 L N 5.821 126.981 121.223 -0.106 0.000 2.313 80 L HA 0.705 5.045 4.340 -0.000 0.000 0.283 80 L C -0.796 175.940 176.870 -0.223 0.000 1.013 80 L CA 0.096 54.819 54.840 -0.194 0.000 0.816 80 L CB 1.238 43.081 42.059 -0.360 0.000 1.236 80 L HN 0.588 nan 8.230 nan 0.000 0.419 81 I N 4.654 125.131 120.570 -0.155 0.000 2.339 81 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 81 I C -0.721 175.294 176.117 -0.170 0.000 0.994 81 I CA -0.441 60.779 61.300 -0.133 0.000 1.191 81 I CB 1.540 39.497 38.000 -0.072 0.000 1.343 81 I HN 0.687 nan 8.210 nan 0.000 0.458 82 E N 4.463 124.553 120.200 -0.183 0.000 2.266 82 E HA 0.684 5.033 4.350 -0.000 0.000 0.268 82 E C -0.184 176.270 176.600 -0.244 0.000 0.879 82 E CA -0.901 55.358 56.400 -0.235 0.000 0.762 82 E CB 1.901 31.544 29.700 -0.096 0.000 1.199 82 E HN 0.559 nan 8.360 nan 0.000 0.422 83 G N 2.035 110.554 108.800 -0.469 0.000 4.250 83 G HA2 0.214 4.174 3.960 -0.000 0.000 0.295 83 G HA3 0.214 4.174 3.960 -0.000 0.000 0.295 83 G C -0.887 173.836 174.900 -0.295 0.000 1.081 83 G CA -0.326 44.585 45.100 -0.315 0.000 0.854 83 G HN 0.399 nan 8.290 nan 0.000 0.524 84 Y N 0.312 120.629 120.300 0.028 0.000 2.340 84 Y HA 0.482 5.032 4.550 -0.000 0.000 0.327 84 Y C 1.273 177.193 175.900 0.033 0.000 1.321 84 Y CA -1.118 57.001 58.100 0.030 0.000 1.433 84 Y CB 0.793 39.277 38.460 0.040 0.000 1.373 84 Y HN -0.107 nan 8.280 nan 0.000 0.538 85 R N 1.482 122.115 120.500 0.222 0.000 2.638 85 R HA 0.019 4.359 4.340 -0.000 0.000 0.268 85 R C -2.497 173.888 176.300 0.141 0.000 1.006 85 R CA -1.366 54.822 56.100 0.147 0.000 1.088 85 R CB -0.492 29.881 30.300 0.121 0.000 0.950 85 R HN 0.269 nan 8.270 nan 0.000 0.419 86 P HA -0.087 nan 4.420 nan 0.000 0.264 86 P C 0.641 177.986 177.300 0.075 0.000 1.183 86 P CA 1.109 64.262 63.100 0.088 0.000 0.763 86 P CB 0.586 32.327 31.700 0.068 0.000 0.807 87 G N 1.029 109.869 108.800 0.067 0.000 2.241 87 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 87 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 87 G C 0.987 175.917 174.900 0.050 0.000 0.998 87 G CA 0.224 45.352 45.100 0.048 0.000 0.621 87 G HN 0.402 nan 8.290 nan 0.000 0.519 88 V N 1.961 121.918 119.914 0.071 0.000 2.283 88 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 88 V C 3.216 179.331 176.094 0.034 0.000 1.039 88 V CA 3.450 65.767 62.300 0.028 0.000 1.016 88 V CB -1.103 30.721 31.823 0.001 0.000 0.650 88 V HN 0.827 nan 8.190 nan 0.000 0.449 89 T N -1.415 113.216 114.554 0.129 0.000 2.720 89 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 89 T C 1.646 176.409 174.700 0.106 0.000 1.037 89 T CA 1.716 63.913 62.100 0.161 0.000 1.144 89 T CB -0.416 68.635 68.868 0.305 0.000 0.864 89 T HN 0.440 nan 8.240 nan 0.000 0.444 90 E N 1.447 121.695 120.200 0.079 0.000 2.033 90 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 90 E C 2.372 178.989 176.600 0.029 0.000 1.011 90 E CA 1.563 57.987 56.400 0.040 0.000 0.815 90 E CB -0.334 29.378 29.700 0.021 0.000 0.755 90 E HN 0.645 nan 8.360 nan 0.000 0.451 91 R N 0.726 121.238 120.500 0.020 0.000 2.189 91 R HA -0.085 4.255 4.340 -0.000 0.000 0.223 91 R C 1.959 178.261 176.300 0.003 0.000 1.092 91 R CA 0.941 57.045 56.100 0.007 0.000 0.989 91 R CB -0.276 30.024 30.300 0.001 0.000 0.876 91 R HN 0.235 nan 8.270 nan 0.000 0.457 92 L N 0.040 121.266 121.223 0.005 0.000 2.291 92 L HA 0.079 4.419 4.340 -0.000 0.000 0.214 92 L C 1.292 178.176 176.870 0.023 0.000 1.120 92 L CA 1.037 55.880 54.840 0.005 0.000 0.799 92 L CB -0.081 41.978 42.059 -0.001 0.000 0.925 92 L HN 0.666 nan 8.230 nan 0.000 0.446 93 G N -0.230 108.591 108.800 0.035 0.000 2.131 93 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.223 93 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.223 93 G C 0.422 175.362 174.900 0.067 0.000 0.990 93 G CA 0.025 45.150 45.100 0.041 0.000 0.671 93 G HN 0.291 nan 8.290 nan 0.000 0.521 94 L N 0.805 122.086 121.223 0.096 0.000 3.014 94 L HA 0.425 4.765 4.340 -0.000 0.000 0.263 94 L C 1.755 178.774 176.870 0.249 0.000 1.207 94 L CA -0.008 54.926 54.840 0.157 0.000 1.017 94 L CB 0.426 42.576 42.059 0.151 0.000 1.360 94 L HN 0.320 nan 8.230 nan 0.000 0.560 95 G N 0.528 109.415 108.800 0.144 0.000 2.667 95 G HA2 0.136 4.096 3.960 -0.000 0.000 0.250 95 G HA3 0.136 4.096 3.960 -0.000 0.000 0.250 95 G C -1.749 173.109 174.900 -0.070 0.000 1.212 95 G CA -0.728 44.403 45.100 0.051 0.000 0.874 95 G HN -0.024 nan 8.290 nan 0.000 0.561 96 P HA -0.122 nan 4.420 nan 0.000 0.216 96 P C 1.472 178.678 177.300 -0.156 0.000 1.157 96 P CA 1.476 64.236 63.100 -0.566 0.000 0.880 96 P CB 0.211 31.527 31.700 -0.640 0.000 0.791 97 E N -0.989 119.144 120.200 -0.112 0.000 2.204 97 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 97 E C 2.025 178.621 176.600 -0.007 0.000 0.989 97 E CA 0.644 57.016 56.400 -0.047 0.000 0.824 97 E CB -0.207 29.467 29.700 -0.043 0.000 0.756 97 E HN 0.275 nan 8.360 nan 0.000 0.477 98 E N -0.115 120.092 120.200 0.011 0.000 2.046 98 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 98 E C 2.165 178.802 176.600 0.062 0.000 0.982 98 E CA 0.605 57.028 56.400 0.038 0.000 0.800 98 E CB -0.251 29.480 29.700 0.052 0.000 0.756 98 E HN 0.301 nan 8.360 nan 0.000 0.449 99 C N 0.884 120.246 119.300 0.103 0.000 2.422 99 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 99 C C 2.786 177.833 174.990 0.094 0.000 1.305 99 C CA 0.786 59.887 59.018 0.138 0.000 1.757 99 C CB -0.997 26.909 27.740 0.276 0.000 1.962 99 C HN 0.455 nan 8.230 nan 0.000 0.499 100 A N 0.364 123.221 122.820 0.063 0.000 2.019 100 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 100 A C 2.156 179.757 177.584 0.029 0.000 1.164 100 A CA 1.460 53.520 52.037 0.038 0.000 0.644 100 A CB -0.426 18.582 19.000 0.013 0.000 0.805 100 A HN 0.702 nan 8.150 nan 0.000 0.449 101 K N -0.438 119.979 120.400 0.029 0.000 2.147 101 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 101 K C 1.695 178.311 176.600 0.025 0.000 1.049 101 K CA 1.701 58.002 56.287 0.023 0.000 0.936 101 K CB -0.221 32.293 32.500 0.023 0.000 0.722 101 K HN 0.582 nan 8.250 nan 0.000 0.446 102 V N -2.868 117.067 119.914 0.035 0.000 3.644 102 V HA 0.176 4.296 4.120 -0.000 0.000 0.267 102 V C 0.154 176.267 176.094 0.031 0.000 1.277 102 V CA -0.019 62.301 62.300 0.034 0.000 1.096 102 V CB -0.177 31.672 31.823 0.043 0.000 0.828 102 V HN 0.266 nan 8.190 nan 0.000 0.446 103 N N 1.204 119.924 118.700 0.034 0.000 3.112 103 N HA 0.052 4.791 4.740 -0.000 0.000 0.231 103 N C -0.420 175.108 175.510 0.030 0.000 1.385 103 N CA 0.496 53.562 53.050 0.027 0.000 0.790 103 N CB 1.037 39.542 38.487 0.030 0.000 1.563 103 N HN 0.383 nan 8.380 nan 0.000 0.613 104 D N 1.983 122.393 120.400 0.017 0.000 2.349 104 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 104 D C 0.819 177.124 176.300 0.009 0.000 1.029 104 D CA 0.299 54.308 54.000 0.015 0.000 0.879 104 D CB 0.128 40.931 40.800 0.006 0.000 0.906 104 D HN 0.477 nan 8.370 nan 0.000 0.528 105 R N -0.437 120.064 120.500 0.003 0.000 2.359 105 R HA 0.236 4.576 4.340 -0.000 0.000 0.231 105 R C 0.156 176.458 176.300 0.003 0.000 0.913 105 R CA -0.544 55.552 56.100 -0.007 0.000 1.075 105 R CB 0.153 30.438 30.300 -0.026 0.000 1.087 105 R HN 0.133 nan 8.270 nan 0.000 0.515 106 L N 1.959 123.198 121.223 0.027 0.000 2.360 106 L HA 0.156 4.496 4.340 -0.000 0.000 0.276 106 L C -0.298 176.613 176.870 0.069 0.000 1.121 106 L CA 0.027 54.893 54.840 0.044 0.000 0.845 106 L CB 0.531 42.636 42.059 0.078 0.000 1.143 106 L HN -0.043 nan 8.230 nan 0.000 0.452 107 I N 6.463 127.062 120.570 0.049 0.000 2.308 107 I HA 0.049 4.219 4.170 -0.000 0.000 0.293 107 I C -0.484 175.689 176.117 0.094 0.000 1.078 107 I CA 0.019 61.360 61.300 0.069 0.000 1.292 107 I CB -0.501 37.523 38.000 0.041 0.000 1.423 107 I HN 0.606 nan 8.210 nan 0.000 0.493 108 Y N 5.758 126.069 120.300 0.018 0.000 2.454 108 Y HA 0.567 5.117 4.550 -0.000 0.000 0.345 108 Y C 0.235 176.147 175.900 0.021 0.000 0.970 108 Y CA -0.702 57.411 58.100 0.022 0.000 1.204 108 Y CB 0.924 39.398 38.460 0.023 0.000 1.122 108 Y HN 0.667 nan 8.280 nan 0.000 0.514 109 A N 7.643 130.505 122.820 0.070 0.000 2.256 109 A HA 0.550 4.870 4.320 -0.000 0.000 0.317 109 A C -0.629 176.999 177.584 0.073 0.000 1.318 109 A CA -0.862 51.222 52.037 0.079 0.000 0.894 109 A CB 0.262 19.274 19.000 0.020 0.000 1.165 109 A HN 0.859 nan 8.150 nan 0.000 0.525 110 R N 2.518 123.098 120.500 0.133 0.000 2.239 110 R HA 0.369 4.708 4.340 -0.000 0.000 0.332 110 R C -0.879 175.442 176.300 0.034 0.000 0.988 110 R CA -0.537 55.629 56.100 0.110 0.000 0.859 110 R CB 1.296 31.694 30.300 0.165 0.000 1.148 110 R HN 0.691 nan 8.270 nan 0.000 0.482 111 M N 3.309 122.902 119.600 -0.012 0.000 2.063 111 M HA 0.170 4.650 4.480 -0.000 0.000 0.348 111 M C -0.576 175.672 176.300 -0.087 0.000 1.180 111 M CA 0.047 55.319 55.300 -0.046 0.000 1.059 111 M CB 1.033 33.603 32.600 -0.050 0.000 1.544 111 M HN 0.703 nan 8.290 nan 0.000 0.447 112 T N 0.886 115.365 114.554 -0.125 0.000 2.838 112 T HA 0.791 5.141 4.350 -0.000 0.000 0.292 112 T C 0.568 175.015 174.700 -0.421 0.000 1.113 112 T CA -0.481 61.498 62.100 -0.202 0.000 1.008 112 T CB 1.349 70.153 68.868 -0.108 0.000 1.259 112 T HN 0.508 nan 8.240 nan 0.000 0.520 113 G N -1.049 107.292 108.800 -0.764 0.000 2.497 113 G HA2 0.106 4.066 3.960 -0.000 0.000 0.210 113 G HA3 0.106 4.066 3.960 -0.000 0.000 0.210 113 G C 0.756 174.976 174.900 -1.133 0.000 1.177 113 G CA -0.418 43.635 45.100 -1.745 0.000 0.822 113 G HN 0.814 nan 8.290 nan 0.000 0.550 114 W N 0.770 121.813 121.300 -0.429 0.000 2.770 114 W HA 0.415 5.075 4.660 -0.000 0.000 0.256 114 W C 1.472 177.921 176.519 -0.117 0.000 1.291 114 W CA 0.339 57.589 57.345 -0.158 0.000 1.396 114 W CB 0.412 29.854 29.460 -0.030 0.000 1.114 114 W HN 0.550 nan 8.180 nan 0.000 0.637 115 G N 0.066 108.902 108.800 0.060 0.000 2.566 115 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.599 115 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.599 115 G C 0.182 175.117 174.900 0.057 0.000 1.292 115 G CA -0.341 44.782 45.100 0.039 0.000 0.922 115 G HN -0.026 nan 8.290 nan 0.000 0.514 116 Q N -0.474 119.348 119.800 0.036 0.000 2.331 116 Q HA 0.139 4.479 4.340 -0.000 0.000 0.203 116 Q C 1.677 177.697 176.000 0.033 0.000 0.944 116 Q CA 1.936 57.760 55.803 0.035 0.000 0.892 116 Q CB 0.239 28.989 28.738 0.020 0.000 0.983 116 Q HN 1.216 nan 8.270 nan 0.000 0.482 117 T N -3.617 110.955 114.554 0.029 0.000 2.865 117 T HA 0.746 5.096 4.350 -0.000 0.000 0.294 117 T C 0.066 174.774 174.700 0.012 0.000 1.119 117 T CA -0.294 61.815 62.100 0.015 0.000 1.007 117 T CB 2.575 71.445 68.868 0.003 0.000 1.225 117 T HN 0.295 nan 8.240 nan 0.000 0.515 118 G N 1.312 110.107 108.800 -0.008 0.000 2.515 118 G HA2 0.152 4.112 3.960 -0.000 0.000 0.686 118 G HA3 0.152 4.112 3.960 -0.000 0.000 0.686 118 G C -2.230 172.633 174.900 -0.061 0.000 1.274 118 G CA -0.290 44.792 45.100 -0.030 0.000 0.874 118 G HN 0.678 nan 8.290 nan 0.000 0.631 119 P HA -0.114 nan 4.420 nan 0.000 0.218 119 P C 1.334 178.531 177.300 -0.172 0.000 1.146 119 P CA 1.225 64.257 63.100 -0.113 0.000 0.813 119 P CB 0.071 31.699 31.700 -0.119 0.000 0.778 120 R N -0.483 119.854 120.500 -0.272 0.000 2.362 120 R HA 0.129 4.469 4.340 -0.000 0.000 0.227 120 R C 2.229 178.361 176.300 -0.280 0.000 0.905 120 R CA 0.541 56.349 56.100 -0.487 0.000 1.067 120 R CB -0.222 29.374 30.300 -1.173 0.000 1.078 120 R HN 0.250 nan 8.270 nan 0.000 0.516 121 S N 0.599 116.267 115.700 -0.053 0.000 2.469 121 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 121 S C 1.566 176.249 174.600 0.138 0.000 0.998 121 S CA 0.839 59.108 58.200 0.115 0.000 0.957 121 S CB 0.083 63.330 63.200 0.077 0.000 0.764 121 S HN 0.180 nan 8.310 nan 0.000 0.514 122 Q N 0.712 120.558 119.800 0.076 0.000 2.282 122 Q HA 0.313 4.653 4.340 -0.000 0.000 0.206 122 Q C -0.024 176.045 176.000 0.115 0.000 0.878 122 Q CA 0.167 56.023 55.803 0.088 0.000 0.944 122 Q CB 0.238 29.003 28.738 0.046 0.000 1.100 122 Q HN 0.720 nan 8.270 nan 0.000 0.509 123 Q N 0.230 120.118 119.800 0.147 0.000 2.261 123 Q HA 0.506 4.846 4.340 -0.000 0.000 0.252 123 Q C -0.448 175.754 176.000 0.338 0.000 0.915 123 Q CA -0.408 55.503 55.803 0.181 0.000 0.915 123 Q CB 1.458 30.243 28.738 0.080 0.000 1.204 123 Q HN 0.147 nan 8.270 nan 0.000 0.421 124 A N 1.686 124.642 122.820 0.226 0.000 2.483 124 A HA 0.576 4.896 4.320 -0.000 0.000 0.238 124 A C 0.352 178.078 177.584 0.236 0.000 1.070 124 A CA 0.752 52.900 52.037 0.185 0.000 0.770 124 A CB 0.213 19.283 19.000 0.118 0.000 1.008 124 A HN 0.792 nan 8.150 nan 0.000 0.497 125 G N 0.291 109.133 108.800 0.070 0.000 2.523 125 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 125 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 125 G C -1.236 173.382 174.900 -0.469 0.000 1.450 125 G CA -0.641 44.382 45.100 -0.128 0.000 0.790 125 G HN 0.840 nan 8.290 nan 0.000 0.496 126 H N -0.946 117.801 119.070 -0.538 0.000 2.960 126 H HA 0.337 4.893 4.556 -0.000 0.000 0.303 126 H C 0.574 175.487 175.328 -0.691 0.000 1.412 126 H CA -0.299 55.504 56.048 -0.409 0.000 1.227 126 H CB 2.415 32.063 29.762 -0.190 0.000 1.912 126 H HN 0.638 nan 8.280 nan 0.000 0.583 127 D N 0.819 121.124 120.400 -0.159 0.000 2.154 127 D HA -0.184 4.456 4.640 -0.000 0.000 0.190 127 D C 1.901 178.085 176.300 -0.193 0.000 1.003 127 D CA 1.547 55.470 54.000 -0.129 0.000 0.849 127 D CB 0.040 40.796 40.800 -0.074 0.000 0.942 127 D HN 0.496 nan 8.370 nan 0.000 0.446 128 I N 0.432 120.917 120.570 -0.141 0.000 2.248 128 I HA -0.349 3.821 4.170 -0.000 0.000 0.248 128 I C 1.675 177.720 176.117 -0.119 0.000 1.107 128 I CA 1.606 62.852 61.300 -0.091 0.000 1.373 128 I CB -0.171 37.797 38.000 -0.053 0.000 1.055 128 I HN 0.087 nan 8.210 nan 0.000 0.418 129 N N -0.502 118.038 118.700 -0.267 0.000 2.142 129 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 129 N C 1.591 176.997 175.510 -0.174 0.000 1.023 129 N CA 1.538 54.466 53.050 -0.203 0.000 0.852 129 N CB -0.297 38.041 38.487 -0.248 0.000 0.998 129 N HN 0.340 nan 8.380 nan 0.000 0.424 130 Y N 1.193 121.352 120.300 -0.234 0.000 2.263 130 Y HA 0.030 4.580 4.550 -0.000 0.000 0.292 130 Y C 2.089 177.953 175.900 -0.059 0.000 1.130 130 Y CA 0.269 58.156 58.100 -0.356 0.000 1.179 130 Y CB -0.869 37.275 38.460 -0.527 0.000 0.998 130 Y HN 0.147 nan 8.280 nan 0.000 0.532 131 I N -2.208 118.411 120.570 0.081 0.000 3.111 131 I HA -0.049 4.121 4.170 -0.000 0.000 0.272 131 I C 2.216 178.403 176.117 0.116 0.000 1.268 131 I CA 1.386 62.743 61.300 0.096 0.000 1.467 131 I CB -0.425 37.614 38.000 0.065 0.000 1.087 131 I HN 0.150 nan 8.210 nan 0.000 0.467 132 S N 1.470 117.240 115.700 0.117 0.000 2.436 132 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 132 S C 1.869 176.571 174.600 0.170 0.000 1.014 132 S CA 0.580 58.859 58.200 0.133 0.000 0.950 132 S CB -0.351 62.916 63.200 0.111 0.000 0.784 132 S HN 0.525 nan 8.310 nan 0.000 0.504 133 L N 2.525 123.885 121.223 0.228 0.000 2.509 133 L HA 0.323 4.663 4.340 -0.000 0.000 0.222 133 L C 1.406 178.402 176.870 0.210 0.000 1.123 133 L CA 0.987 55.970 54.840 0.237 0.000 0.856 133 L CB -0.296 41.983 42.059 0.367 0.000 0.985 133 L HN 0.700 nan 8.230 nan 0.000 0.456 134 N N -2.608 116.222 118.700 0.216 0.000 2.234 134 N HA 0.210 4.950 4.740 -0.000 0.000 0.227 134 N C 1.124 176.802 175.510 0.281 0.000 1.151 134 N CA 0.528 53.728 53.050 0.250 0.000 0.865 134 N CB 0.756 39.381 38.487 0.230 0.000 1.066 134 N HN 0.102 nan 8.380 nan 0.000 0.515 135 G N 1.504 110.412 108.800 0.181 0.000 2.217 135 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 135 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 135 G C 0.763 175.719 174.900 0.093 0.000 0.990 135 G CA 0.377 45.537 45.100 0.100 0.000 0.627 135 G HN 0.329 nan 8.290 nan 0.000 0.522 136 I N 0.030 120.669 120.570 0.116 0.000 2.163 136 I HA -0.100 4.070 4.170 -0.000 0.000 0.240 136 I C 2.630 178.808 176.117 0.101 0.000 1.081 136 I CA 1.609 62.963 61.300 0.089 0.000 1.353 136 I CB -0.395 37.660 38.000 0.092 0.000 1.054 136 I HN 0.295 nan 8.210 nan 0.000 0.407 137 L N 0.563 121.852 121.223 0.110 0.000 2.046 137 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 137 L C 2.649 179.579 176.870 0.101 0.000 1.077 137 L CA 1.993 56.888 54.840 0.091 0.000 0.747 137 L CB -1.222 40.884 42.059 0.080 0.000 0.896 137 L HN 0.299 nan 8.230 nan 0.000 0.432 138 H N -0.281 118.813 119.070 0.041 0.000 2.426 138 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 138 H C 1.694 177.046 175.328 0.039 0.000 1.107 138 H CA 1.436 57.505 56.048 0.035 0.000 1.298 138 H CB 0.287 30.070 29.762 0.034 0.000 1.377 138 H HN 0.493 nan 8.280 nan 0.000 0.519 139 A N 0.401 123.327 122.820 0.176 0.000 2.238 139 A HA 0.190 4.510 4.320 -0.000 0.000 0.208 139 A C 0.974 178.624 177.584 0.110 0.000 1.177 139 A CA -0.053 52.087 52.037 0.173 0.000 0.804 139 A CB 0.006 19.125 19.000 0.200 0.000 0.823 139 A HN 0.244 nan 8.150 nan 0.000 0.482 140 I N -0.180 120.420 120.570 0.051 0.000 2.362 140 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 140 I C 0.616 176.728 176.117 -0.008 0.000 0.994 140 I CA 0.098 61.418 61.300 0.033 0.000 1.158 140 I CB 1.541 39.564 38.000 0.038 0.000 1.315 140 I HN 0.350 nan 8.210 nan 0.000 0.451 141 G N 5.185 113.977 108.800 -0.013 0.000 2.384 141 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.668 141 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.668 141 G C -1.048 173.820 174.900 -0.053 0.000 1.280 141 G CA -1.134 43.942 45.100 -0.040 0.000 0.992 141 G HN 0.426 nan 8.290 nan 0.000 0.512 142 R N 0.088 120.550 120.500 -0.064 0.000 2.539 142 R HA 0.457 4.797 4.340 -0.000 0.000 0.275 142 R C 1.799 178.058 176.300 -0.070 0.000 1.077 142 R CA 0.160 56.218 56.100 -0.069 0.000 1.097 142 R CB 0.570 30.828 30.300 -0.071 0.000 1.018 142 R HN 1.119 nan 8.270 nan 0.000 0.483 143 G N 1.266 110.025 108.800 -0.068 0.000 2.471 143 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 143 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 143 G C 0.575 175.440 174.900 -0.059 0.000 1.125 143 G CA 0.549 45.608 45.100 -0.068 0.000 0.775 143 G HN 0.648 nan 8.290 nan 0.000 0.548 144 D N -0.176 120.194 120.400 -0.051 0.000 2.340 144 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 144 D C 0.592 176.868 176.300 -0.040 0.000 1.039 144 D CA 0.098 54.074 54.000 -0.040 0.000 0.866 144 D CB 0.202 40.982 40.800 -0.033 0.000 0.913 144 D HN 0.397 nan 8.370 nan 0.000 0.523 145 E N -0.060 120.110 120.200 -0.050 0.000 2.416 145 E HA 0.302 4.652 4.350 -0.000 0.000 0.273 145 E C -0.374 176.190 176.600 -0.059 0.000 0.935 145 E CA -1.210 55.161 56.400 -0.047 0.000 0.784 145 E CB 2.211 31.883 29.700 -0.046 0.000 1.301 145 E HN 0.065 nan 8.360 nan 0.000 0.454 146 R N 0.742 121.213 120.500 -0.049 0.000 2.643 146 R HA 0.258 4.598 4.340 -0.000 0.000 0.270 146 R C -2.350 173.914 176.300 -0.059 0.000 1.061 146 R CA -1.251 54.818 56.100 -0.053 0.000 1.107 146 R CB -0.560 29.722 30.300 -0.031 0.000 0.999 146 R HN 0.084 nan 8.270 nan 0.000 0.460 147 P HA -0.043 nan 4.420 nan 0.000 0.269 147 P C -0.696 176.584 177.300 -0.032 0.000 1.209 147 P CA -0.370 62.693 63.100 -0.062 0.000 0.776 147 P CB 0.762 32.425 31.700 -0.062 0.000 0.876 148 V N 4.297 124.196 119.914 -0.026 0.000 2.547 148 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 148 V C -2.316 173.776 176.094 -0.003 0.000 1.040 148 V CA -2.740 59.550 62.300 -0.017 0.000 0.913 148 V CB 1.591 33.400 31.823 -0.024 0.000 0.992 148 V HN 0.478 nan 8.190 nan 0.000 0.449 149 P HA 0.272 nan 4.420 nan 0.000 0.271 149 P C -2.608 174.704 177.300 0.019 0.000 1.220 149 P CA -1.566 61.540 63.100 0.010 0.000 0.768 149 P CB 0.051 31.754 31.700 0.005 0.000 0.848 150 P HA 0.094 nan 4.420 nan 0.000 0.226 150 P C 0.503 177.841 177.300 0.062 0.000 1.783 150 P CA -0.010 63.116 63.100 0.043 0.000 0.980 150 P CB -0.378 31.352 31.700 0.050 0.000 1.967 151 L N -0.748 120.510 121.223 0.059 0.000 6.641 151 L HA -0.328 4.012 4.340 -0.000 0.000 0.053 151 L C 1.125 178.036 176.870 0.069 0.000 1.672 151 L CA 1.659 56.546 54.840 0.077 0.000 1.732 151 L CB -1.465 40.666 42.059 0.120 0.000 2.658 151 L HN 0.359 nan 8.230 nan 0.000 1.033 152 N N 0.235 118.997 118.700 0.103 0.000 2.453 152 N HA 0.242 4.982 4.740 -0.000 0.000 0.270 152 N C 0.673 176.251 175.510 0.113 0.000 1.195 152 N CA -0.052 53.025 53.050 0.046 0.000 0.902 152 N CB 0.202 38.673 38.487 -0.026 0.000 1.186 152 N HN 0.630 nan 8.380 nan 0.000 0.510 153 L N -0.593 120.740 121.223 0.182 0.000 2.179 153 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 153 L C 1.735 178.713 176.870 0.180 0.000 1.096 153 L CA 0.656 55.647 54.840 0.252 0.000 0.779 153 L CB 0.130 42.297 42.059 0.180 0.000 0.922 153 L HN 0.053 nan 8.230 nan 0.000 0.443 154 V N -1.017 118.958 119.914 0.102 0.000 2.575 154 V HA 0.057 4.177 4.120 -0.000 0.000 0.242 154 V C 2.298 178.428 176.094 0.059 0.000 1.045 154 V CA 1.486 63.840 62.300 0.090 0.000 1.065 154 V CB -0.380 31.487 31.823 0.074 0.000 0.717 154 V HN 0.458 nan 8.190 nan 0.000 0.467 155 G N -0.386 108.419 108.800 0.008 0.000 2.473 155 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.212 155 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.212 155 G C 1.163 176.005 174.900 -0.096 0.000 1.211 155 G CA 0.726 45.818 45.100 -0.013 0.000 0.813 155 G HN 0.413 nan 8.290 nan 0.000 0.541 156 D N 0.175 120.417 120.400 -0.262 0.000 2.104 156 D HA -0.053 4.587 4.640 -0.000 0.000 0.194 156 D C 2.086 178.076 176.300 -0.516 0.000 0.994 156 D CA 1.017 54.680 54.000 -0.561 0.000 0.830 156 D CB -0.118 39.987 40.800 -1.159 0.000 0.959 156 D HN 0.307 nan 8.370 nan 0.000 0.452 157 F N -0.201 119.751 119.950 0.004 0.000 2.394 157 F HA 0.286 4.813 4.527 -0.000 0.000 0.269 157 F C 2.598 178.452 175.800 0.089 0.000 1.012 157 F CA 0.517 58.508 58.000 -0.015 0.000 1.138 157 F CB -1.187 37.706 39.000 -0.178 0.000 1.140 157 F HN -0.077 nan 8.300 nan 0.000 0.623 158 G N -0.328 108.638 108.800 0.277 0.000 2.476 158 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 158 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 158 G C 1.691 176.776 174.900 0.309 0.000 1.164 158 G CA 1.064 46.306 45.100 0.236 0.000 0.768 158 G HN 0.556 nan 8.290 nan 0.000 0.560 159 G N -0.712 108.240 108.800 0.253 0.000 3.502 159 G HA2 0.485 4.445 3.960 -0.000 0.000 0.267 159 G HA3 0.485 4.445 3.960 -0.000 0.000 0.267 159 G C 0.776 175.776 174.900 0.168 0.000 1.090 159 G CA 0.973 46.228 45.100 0.257 0.000 0.795 159 G HN 0.671 nan 8.290 nan 0.000 0.535 160 G N 0.697 109.609 108.800 0.187 0.000 2.474 160 G HA2 0.179 4.139 3.960 -0.000 0.000 0.205 160 G HA3 0.179 4.139 3.960 -0.000 0.000 0.205 160 G C 1.931 176.932 174.900 0.168 0.000 1.934 160 G CA 1.191 46.343 45.100 0.086 0.000 0.713 160 G HN 0.462 nan 8.290 nan 0.000 0.773 161 S N 0.523 116.343 115.700 0.200 0.000 2.374 161 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 161 S C 2.411 177.142 174.600 0.219 0.000 1.037 161 S CA 2.204 60.562 58.200 0.263 0.000 1.024 161 S CB -0.412 63.108 63.200 0.533 0.000 0.861 161 S HN 0.119 nan 8.310 nan 0.000 0.456 162 M N 0.535 120.273 119.600 0.230 0.000 2.117 162 M HA 0.116 4.596 4.480 -0.000 0.000 0.262 162 M C 1.996 178.268 176.300 -0.046 0.000 1.065 162 M CA 1.141 56.489 55.300 0.079 0.000 1.114 162 M CB -1.756 30.866 32.600 0.037 0.000 1.361 162 M HN 0.351 nan 8.290 nan 0.000 0.408 163 F N -0.025 119.959 119.950 0.056 0.000 2.259 163 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 163 F C 2.235 178.052 175.800 0.029 0.000 1.088 163 F CA 0.595 58.614 58.000 0.033 0.000 1.358 163 F CB -0.822 38.189 39.000 0.018 0.000 1.040 163 F HN 0.045 nan 8.300 nan 0.000 0.505 164 L N 0.074 121.408 121.223 0.185 0.000 2.012 164 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 164 L C 2.145 179.056 176.870 0.070 0.000 1.073 164 L CA 1.762 56.667 54.840 0.109 0.000 0.748 164 L CB -0.758 41.351 42.059 0.083 0.000 0.891 164 L HN 0.098 nan 8.230 nan 0.000 0.431 165 L N -1.951 119.301 121.223 0.048 0.000 1.989 165 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 165 L C 2.433 179.305 176.870 0.003 0.000 1.071 165 L CA 1.414 56.263 54.840 0.014 0.000 0.749 165 L CB -0.832 41.225 42.059 -0.004 0.000 0.890 165 L HN 0.106 nan 8.230 nan 0.000 0.431 166 V N 0.288 120.185 119.914 -0.028 0.000 2.287 166 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 166 V C 2.643 178.750 176.094 0.022 0.000 1.053 166 V CA 2.100 64.375 62.300 -0.041 0.000 1.027 166 V CB -1.423 30.315 31.823 -0.141 0.000 0.646 166 V HN 0.607 nan 8.190 nan 0.000 0.447 167 G N -0.002 108.836 108.800 0.062 0.000 2.514 167 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 167 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 167 G C 1.565 176.506 174.900 0.068 0.000 1.198 167 G CA 1.396 46.544 45.100 0.081 0.000 0.780 167 G HN 0.481 nan 8.290 nan 0.000 0.565 168 I N 0.418 121.020 120.570 0.055 0.000 2.118 168 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 168 I C 2.793 178.940 176.117 0.049 0.000 1.070 168 I CA 1.081 62.408 61.300 0.045 0.000 1.327 168 I CB -0.282 37.735 38.000 0.027 0.000 1.034 168 I HN 0.140 nan 8.210 nan 0.000 0.405 169 L N 0.184 121.432 121.223 0.043 0.000 2.109 169 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 169 L C 2.824 179.751 176.870 0.095 0.000 1.086 169 L CA 1.084 55.955 54.840 0.051 0.000 0.760 169 L CB -0.766 41.309 42.059 0.026 0.000 0.910 169 L HN 0.224 nan 8.230 nan 0.000 0.437 170 A N 0.351 123.222 122.820 0.085 0.000 1.908 170 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 170 A C 2.529 180.231 177.584 0.197 0.000 1.181 170 A CA 1.902 54.017 52.037 0.131 0.000 0.627 170 A CB -0.696 18.357 19.000 0.089 0.000 0.818 170 A HN 0.396 nan 8.150 nan 0.000 0.445 171 A N -0.530 122.367 122.820 0.129 0.000 1.968 171 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 171 A C 2.125 179.761 177.584 0.087 0.000 1.169 171 A CA 1.274 53.373 52.037 0.103 0.000 0.638 171 A CB -0.517 18.529 19.000 0.076 0.000 0.812 171 A HN 0.464 nan 8.150 nan 0.000 0.446 172 L N -1.274 120.005 121.223 0.093 0.000 2.083 172 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 172 L C 2.614 179.548 176.870 0.106 0.000 1.083 172 L CA 1.487 56.370 54.840 0.072 0.000 0.752 172 L CB -0.530 41.566 42.059 0.062 0.000 0.899 172 L HN 0.827 nan 8.230 nan 0.000 0.433 173 W N 1.506 122.801 121.300 -0.008 0.000 2.355 173 W HA -0.236 4.424 4.660 -0.000 0.000 0.309 173 W C 2.236 178.753 176.519 -0.004 0.000 1.206 173 W CA 1.820 59.161 57.345 -0.006 0.000 1.284 173 W CB -0.201 29.258 29.460 -0.002 0.000 1.145 173 W HN 0.238 nan 8.180 nan 0.000 0.502 174 E N 1.216 121.378 120.200 -0.064 0.000 2.118 174 E HA -0.285 4.064 4.350 -0.000 0.000 0.195 174 E C 2.259 178.744 176.600 -0.192 0.000 0.992 174 E CA 1.476 57.769 56.400 -0.178 0.000 0.804 174 E CB -0.541 29.163 29.700 0.007 0.000 0.741 174 E HN 0.326 nan 8.360 nan 0.000 0.458 175 R N 0.191 120.625 120.500 -0.110 0.000 2.159 175 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 175 R C 2.428 178.646 176.300 -0.137 0.000 1.131 175 R CA 1.834 57.879 56.100 -0.093 0.000 0.982 175 R CB -0.013 30.258 30.300 -0.049 0.000 0.868 175 R HN 0.297 nan 8.270 nan 0.000 0.453 176 Q N -0.869 118.808 119.800 -0.206 0.000 2.224 176 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 176 Q C 1.929 177.795 176.000 -0.223 0.000 0.970 176 Q CA 1.640 57.315 55.803 -0.213 0.000 0.865 176 Q CB 0.004 28.595 28.738 -0.245 0.000 0.922 176 Q HN 0.264 nan 8.270 nan 0.000 0.445 177 S N 0.243 115.783 115.700 -0.267 0.000 2.468 177 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 177 S C 2.036 176.554 174.600 -0.137 0.000 1.051 177 S CA 0.490 58.564 58.200 -0.210 0.000 0.943 177 S CB -0.085 62.964 63.200 -0.251 0.000 0.810 177 S HN 0.418 nan 8.310 nan 0.000 0.509 178 S N 0.150 115.774 115.700 -0.127 0.000 2.470 178 S HA 0.401 4.871 4.470 -0.000 0.000 0.222 178 S C 1.801 176.361 174.600 -0.067 0.000 1.024 178 S CA 0.872 59.023 58.200 -0.083 0.000 0.931 178 S CB -0.688 62.470 63.200 -0.069 0.000 0.791 178 S HN 1.619 nan 8.310 nan 0.000 0.513 179 G N 1.040 109.795 108.800 -0.074 0.000 2.162 179 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 179 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 179 G C -0.092 174.782 174.900 -0.043 0.000 0.976 179 G CA 0.517 45.582 45.100 -0.058 0.000 0.655 179 G HN 0.624 nan 8.290 nan 0.000 0.533 180 K N -0.299 120.078 120.400 -0.039 0.000 2.385 180 K HA 0.617 4.937 4.320 -0.000 0.000 0.248 180 K C 0.818 177.410 176.600 -0.013 0.000 0.955 180 K CA -0.374 55.900 56.287 -0.022 0.000 0.816 180 K CB 2.020 34.509 32.500 -0.018 0.000 1.250 180 K HN 0.211 nan 8.250 nan 0.000 0.434 181 G N 0.457 109.258 108.800 0.002 0.000 2.509 181 G HA2 0.445 4.405 3.960 -0.000 0.000 0.269 181 G HA3 0.445 4.405 3.960 -0.000 0.000 0.269 181 G C -0.665 174.251 174.900 0.027 0.000 1.416 181 G CA 0.031 45.142 45.100 0.020 0.000 1.052 181 G HN 0.680 nan 8.290 nan 0.000 0.542 182 Q N -3.477 116.352 119.800 0.048 0.000 2.944 182 Q HA 0.420 4.760 4.340 -0.000 0.000 0.328 182 Q C -2.025 174.020 176.000 0.075 0.000 0.810 182 Q CA -0.888 54.941 55.803 0.044 0.000 0.847 182 Q CB 1.077 29.834 28.738 0.031 0.000 1.408 182 Q HN 0.454 nan 8.270 nan 0.000 0.484 183 V N 1.281 121.227 119.914 0.053 0.000 2.427 183 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 183 V C -0.444 175.697 176.094 0.079 0.000 1.034 183 V CA -0.654 61.691 62.300 0.075 0.000 0.893 183 V CB 1.509 33.325 31.823 -0.011 0.000 0.982 183 V HN 0.514 nan 8.190 nan 0.000 0.452 184 V N 3.963 123.944 119.914 0.112 0.000 2.333 184 V HA 0.263 4.383 4.120 -0.000 0.000 0.274 184 V C -0.122 176.021 176.094 0.082 0.000 1.028 184 V CA -0.416 61.937 62.300 0.089 0.000 0.851 184 V CB 1.462 33.339 31.823 0.090 0.000 1.000 184 V HN 0.953 nan 8.190 nan 0.000 0.456 185 D N 5.094 125.528 120.400 0.055 0.000 2.428 185 D HA 0.478 5.118 4.640 -0.000 0.000 0.221 185 D C 0.066 176.380 176.300 0.024 0.000 1.123 185 D CA -0.180 53.843 54.000 0.038 0.000 0.869 185 D CB 1.239 42.051 40.800 0.020 0.000 1.032 185 D HN 0.638 nan 8.370 nan 0.000 0.506 186 A N 3.327 126.160 122.820 0.022 0.000 2.322 186 A HA 0.690 5.010 4.320 -0.000 0.000 0.327 186 A C -0.190 177.362 177.584 -0.053 0.000 1.394 186 A CA -0.635 51.407 52.037 0.008 0.000 0.921 186 A CB 0.590 19.623 19.000 0.054 0.000 1.153 186 A HN 0.625 nan 8.150 nan 0.000 0.523 187 A N 3.098 125.862 122.820 -0.094 0.000 2.288 187 A HA 0.582 4.902 4.320 -0.000 0.000 0.320 187 A C 0.945 178.399 177.584 -0.216 0.000 1.217 187 A CA -0.611 51.328 52.037 -0.164 0.000 0.840 187 A CB 0.266 19.198 19.000 -0.113 0.000 1.179 187 A HN 0.862 nan 8.150 nan 0.000 0.504 188 M N 2.453 121.863 119.600 -0.317 0.000 2.202 188 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 188 M C 1.937 178.111 176.300 -0.209 0.000 1.063 188 M CA 1.516 56.651 55.300 -0.274 0.000 1.097 188 M CB -0.359 32.030 32.600 -0.351 0.000 1.382 188 M HN 0.640 nan 8.290 nan 0.000 0.413 189 V N 0.850 120.634 119.914 -0.217 0.000 2.407 189 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 189 V C 1.646 177.694 176.094 -0.076 0.000 1.055 189 V CA 2.215 64.482 62.300 -0.055 0.000 1.049 189 V CB -0.382 31.503 31.823 0.104 0.000 0.662 189 V HN 0.429 nan 8.190 nan 0.000 0.455 190 D N 0.194 120.509 120.400 -0.141 0.000 2.085 190 D HA -0.047 4.593 4.640 -0.000 0.000 0.199 190 D C 2.112 178.185 176.300 -0.379 0.000 0.981 190 D CA 1.582 55.458 54.000 -0.206 0.000 0.834 190 D CB -1.020 39.667 40.800 -0.189 0.000 0.992 190 D HN 0.500 nan 8.370 nan 0.000 0.457 191 G N 0.981 109.464 108.800 -0.528 0.000 2.491 191 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 191 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 191 G C 1.759 176.297 174.900 -0.604 0.000 1.180 191 G CA 2.190 46.636 45.100 -1.089 0.000 0.774 191 G HN 0.421 nan 8.290 nan 0.000 0.562 192 S N 0.488 116.055 115.700 -0.222 0.000 2.399 192 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 192 S C 2.428 177.030 174.600 0.004 0.000 1.022 192 S CA 1.787 59.964 58.200 -0.038 0.000 0.983 192 S CB -0.441 62.768 63.200 0.016 0.000 0.803 192 S HN 0.265 nan 8.310 nan 0.000 0.480 193 S N 1.573 117.253 115.700 -0.034 0.000 2.368 193 S HA -0.033 4.437 4.470 -0.000 0.000 0.225 193 S C 1.951 176.556 174.600 0.008 0.000 1.030 193 S CA 1.343 59.564 58.200 0.035 0.000 0.999 193 S CB -0.611 62.536 63.200 -0.087 0.000 0.844 193 S HN 0.458 nan 8.310 nan 0.000 0.459 194 V N 1.599 121.442 119.914 -0.118 0.000 2.453 194 V HA -0.059 4.061 4.120 -0.000 0.000 0.247 194 V C 2.177 178.353 176.094 0.136 0.000 1.048 194 V CA 1.080 63.364 62.300 -0.026 0.000 1.049 194 V CB -0.645 31.130 31.823 -0.080 0.000 0.672 194 V HN 0.320 nan 8.190 nan 0.000 0.457 195 L N -0.399 120.922 121.223 0.162 0.000 2.127 195 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 195 L C 1.815 178.764 176.870 0.131 0.000 1.089 195 L CA 1.893 56.867 54.840 0.223 0.000 0.757 195 L CB -0.224 41.975 42.059 0.233 0.000 0.899 195 L HN 0.299 nan 8.230 nan 0.000 0.434 196 I N -1.009 119.638 120.570 0.129 0.000 3.884 196 I HA -0.010 4.160 4.170 -0.000 0.000 0.330 196 I C 1.724 177.947 176.117 0.177 0.000 1.451 196 I CA -0.019 61.337 61.300 0.093 0.000 1.165 196 I CB -0.172 37.869 38.000 0.068 0.000 1.097 196 I HN 0.359 nan 8.210 nan 0.000 0.404 197 Q N 0.971 120.881 119.800 0.183 0.000 2.197 197 Q HA -0.268 4.072 4.340 -0.000 0.000 0.207 197 Q C 1.952 178.035 176.000 0.139 0.000 0.984 197 Q CA 1.932 57.857 55.803 0.203 0.000 0.869 197 Q CB -0.120 28.683 28.738 0.108 0.000 0.906 197 Q HN 0.624 nan 8.270 nan 0.000 0.426 198 M N -0.598 119.018 119.600 0.026 0.000 2.080 198 M HA -0.237 4.243 4.480 -0.000 0.000 0.260 198 M C 1.922 178.130 176.300 -0.153 0.000 1.068 198 M CA 1.650 56.918 55.300 -0.053 0.000 1.109 198 M CB 0.023 32.567 32.600 -0.094 0.000 1.342 198 M HN 0.206 nan 8.290 nan 0.000 0.405 199 M N -1.397 118.002 119.600 -0.334 0.000 2.296 199 M HA -0.157 4.323 4.480 -0.000 0.000 0.265 199 M C 1.354 177.440 176.300 -0.356 0.000 1.064 199 M CA 1.859 56.775 55.300 -0.641 0.000 1.109 199 M CB -0.491 31.468 32.600 -1.069 0.000 1.396 199 M HN 0.361 nan 8.290 nan 0.000 0.430 200 W N -0.670 120.552 121.300 -0.130 0.000 2.418 200 W HA 0.061 4.721 4.660 -0.000 0.000 0.292 200 W C 2.507 179.016 176.519 -0.017 0.000 1.213 200 W CA 0.937 58.254 57.345 -0.045 0.000 1.283 200 W CB -0.533 28.905 29.460 -0.037 0.000 1.119 200 W HN 0.174 nan 8.180 nan 0.000 0.542 201 A N -0.014 122.916 122.820 0.184 0.000 1.873 201 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 201 A C 1.913 179.552 177.584 0.092 0.000 1.186 201 A CA 1.738 53.843 52.037 0.114 0.000 0.616 201 A CB -0.744 18.301 19.000 0.074 0.000 0.823 201 A HN 0.252 nan 8.150 nan 0.000 0.442 202 M N -1.704 117.936 119.600 0.067 0.000 2.254 202 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 202 M C 2.329 178.722 176.300 0.153 0.000 1.066 202 M CA 1.134 56.499 55.300 0.108 0.000 1.123 202 M CB -0.192 32.487 32.600 0.132 0.000 1.388 202 M HN 0.410 nan 8.290 nan 0.000 0.425 203 R N 0.515 121.104 120.500 0.148 0.000 2.091 203 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 203 R C 2.123 178.492 176.300 0.116 0.000 1.136 203 R CA 1.708 57.894 56.100 0.144 0.000 0.959 203 R CB -0.265 30.088 30.300 0.088 0.000 0.856 203 R HN 0.379 nan 8.270 nan 0.000 0.437 204 A N -0.293 122.599 122.820 0.121 0.000 2.019 204 A HA -0.117 4.202 4.320 -0.000 0.000 0.219 204 A C 1.727 179.355 177.584 0.074 0.000 1.164 204 A CA 1.822 53.919 52.037 0.100 0.000 0.644 204 A CB -0.320 18.742 19.000 0.104 0.000 0.805 204 A HN 0.547 nan 8.150 nan 0.000 0.449 205 T N -5.308 109.291 114.554 0.075 0.000 3.215 205 T HA 0.456 4.806 4.350 -0.000 0.000 0.271 205 T C 1.111 175.843 174.700 0.053 0.000 1.012 205 T CA 0.869 63.004 62.100 0.058 0.000 0.899 205 T CB 0.061 68.962 68.868 0.055 0.000 1.089 205 T HN 1.625 nan 8.240 nan 0.000 0.552 206 G N 1.876 110.711 108.800 0.058 0.000 2.155 206 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 206 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 206 G C 0.558 175.487 174.900 0.049 0.000 0.983 206 G CA 0.580 45.704 45.100 0.040 0.000 0.676 206 G HN 0.575 nan 8.290 nan 0.000 0.528 207 M N -1.126 118.532 119.600 0.096 0.000 2.371 207 M HA 0.352 4.832 4.480 -0.000 0.000 0.246 207 M C 0.518 176.960 176.300 0.236 0.000 1.103 207 M CA 0.135 55.511 55.300 0.128 0.000 1.010 207 M CB 0.523 33.202 32.600 0.131 0.000 1.457 207 M HN 0.348 nan 8.290 nan 0.000 0.486 208 W N 0.893 122.178 121.300 -0.026 0.000 3.129 208 W HA 0.387 5.047 4.660 -0.000 0.000 0.333 208 W C -1.124 175.365 176.519 -0.050 0.000 1.141 208 W CA -0.630 56.688 57.345 -0.044 0.000 1.224 208 W CB 1.766 31.184 29.460 -0.070 0.000 1.393 208 W HN -0.071 nan 8.180 nan 0.000 0.499 209 T N 0.305 114.550 114.554 -0.514 0.000 2.932 209 T HA 0.255 4.605 4.350 -0.000 0.000 0.289 209 T C 0.221 174.781 174.700 -0.233 0.000 1.039 209 T CA -0.408 61.532 62.100 -0.266 0.000 1.024 209 T CB 1.996 70.736 68.868 -0.215 0.000 1.090 209 T HN 0.266 nan 8.240 nan 0.000 0.496 210 D N 1.028 121.387 120.400 -0.068 0.000 2.378 210 D HA 0.102 4.742 4.640 -0.000 0.000 0.227 210 D C 0.444 176.777 176.300 0.055 0.000 1.012 210 D CA 0.627 54.635 54.000 0.012 0.000 0.905 210 D CB -0.276 40.519 40.800 -0.010 0.000 0.895 210 D HN 0.615 nan 8.370 nan 0.000 0.532 211 T N 1.038 115.566 114.554 -0.044 0.000 2.814 211 T HA 0.107 4.457 4.350 -0.000 0.000 0.297 211 T C 0.561 175.217 174.700 -0.074 0.000 0.956 211 T CA -0.463 61.612 62.100 -0.040 0.000 1.123 211 T CB 1.364 70.184 68.868 -0.081 0.000 0.902 211 T HN -0.011 nan 8.240 nan 0.000 0.528 212 R N 1.963 122.429 120.500 -0.057 0.000 2.491 212 R HA 0.388 4.728 4.340 -0.000 0.000 0.283 212 R C 1.275 177.524 176.300 -0.085 0.000 1.072 212 R CA 0.872 56.926 56.100 -0.077 0.000 1.048 212 R CB -0.041 30.177 30.300 -0.137 0.000 0.983 212 R HN 0.974 nan 8.270 nan 0.000 0.450 213 G N 2.303 111.055 108.800 -0.079 0.000 2.179 213 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.257 213 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.257 213 G C 0.218 175.063 174.900 -0.092 0.000 1.010 213 G CA 0.377 45.429 45.100 -0.080 0.000 0.736 213 G HN 0.785 nan 8.290 nan 0.000 0.513 214 A N -0.681 122.056 122.820 -0.138 0.000 2.616 214 A HA 0.580 4.900 4.320 -0.000 0.000 0.294 214 A C 0.635 178.114 177.584 -0.174 0.000 1.091 214 A CA 0.030 52.004 52.037 -0.105 0.000 0.971 214 A CB 0.354 19.288 19.000 -0.109 0.000 1.222 214 A HN 0.339 nan 8.150 nan 0.000 0.521 215 N N -1.248 117.282 118.700 -0.284 0.000 2.701 215 N HA 0.322 5.062 4.740 -0.000 0.000 0.290 215 N C 0.618 176.009 175.510 -0.198 0.000 1.338 215 N CA -0.646 52.115 53.050 -0.482 0.000 0.799 215 N CB 1.169 38.768 38.487 -1.481 0.000 1.491 215 N HN 0.213 nan 8.380 nan 0.000 0.540 216 M N 0.386 119.929 119.600 -0.095 0.000 2.319 216 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 216 M C 0.433 176.649 176.300 -0.139 0.000 1.068 216 M CA 1.624 56.921 55.300 -0.005 0.000 1.118 216 M CB 0.163 32.840 32.600 0.127 0.000 1.395 216 M HN 0.391 nan 8.290 nan 0.000 0.435 217 L N -0.484 120.750 121.223 0.017 0.000 3.016 217 L HA 0.162 4.502 4.340 -0.000 0.000 0.267 217 L C 0.459 177.408 176.870 0.133 0.000 1.182 217 L CA -0.323 54.409 54.840 -0.180 0.000 0.997 217 L CB 0.196 42.149 42.059 -0.177 0.000 1.354 217 L HN 0.211 nan 8.230 nan 0.000 0.569 218 D N -0.713 119.788 120.400 0.169 0.000 2.398 218 D HA 0.159 4.799 4.640 -0.000 0.000 0.210 218 D C 1.325 177.652 176.300 0.045 0.000 1.094 218 D CA 0.597 54.687 54.000 0.150 0.000 0.839 218 D CB 0.893 41.796 40.800 0.171 0.000 0.963 218 D HN 0.149 nan 8.370 nan 0.000 0.506 219 G N -0.324 108.487 108.800 0.019 0.000 2.184 219 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.206 219 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.206 219 G C 1.198 176.006 174.900 -0.154 0.000 0.995 219 G CA 0.134 45.194 45.100 -0.067 0.000 0.651 219 G HN 0.602 nan 8.290 nan 0.000 0.511 220 G N 0.346 109.053 108.800 -0.156 0.000 2.511 220 G HA2 0.457 4.417 3.960 -0.000 0.000 0.217 220 G HA3 0.457 4.417 3.960 -0.000 0.000 0.217 220 G C 0.890 175.513 174.900 -0.462 0.000 1.133 220 G CA 1.419 46.416 45.100 -0.172 0.000 0.792 220 G HN 1.698 nan 8.290 nan 0.000 0.539 221 A N 0.528 122.931 122.820 -0.695 0.000 2.289 221 A HA 0.648 4.968 4.320 -0.000 0.000 0.298 221 A C -1.286 175.677 177.584 -1.036 0.000 1.208 221 A CA -1.319 49.840 52.037 -1.463 0.000 0.845 221 A CB 1.401 19.583 19.000 -1.364 0.000 1.125 221 A HN 0.012 nan 8.150 nan 0.000 0.517 222 P HA -0.139 nan 4.420 nan 0.000 0.225 222 P C 0.357 177.634 177.300 -0.039 0.000 1.148 222 P CA 1.385 64.278 63.100 -0.346 0.000 0.779 222 P CB -0.096 31.481 31.700 -0.205 0.000 0.780 223 Y N -5.078 115.192 120.300 -0.049 0.000 2.485 223 Y HA 0.365 4.915 4.550 -0.000 0.000 0.260 223 Y C 0.223 176.197 175.900 0.123 0.000 1.173 223 Y CA -0.958 57.212 58.100 0.116 0.000 1.252 223 Y CB -0.791 37.780 38.460 0.184 0.000 1.123 223 Y HN -0.135 nan 8.280 nan 0.000 0.524 224 Y N 1.835 121.989 120.300 -0.244 0.000 2.592 224 Y HA 0.512 5.062 4.550 -0.000 0.000 0.354 224 Y C -1.317 174.480 175.900 -0.172 0.000 1.063 224 Y CA -1.086 56.931 58.100 -0.138 0.000 1.205 224 Y CB 0.310 38.688 38.460 -0.136 0.000 1.106 224 Y HN 0.232 nan 8.280 nan 0.000 0.649 225 D N 0.469 120.755 120.400 -0.189 0.000 2.755 225 D HA 0.206 4.845 4.640 -0.000 0.000 0.277 225 D C -0.880 175.274 176.300 -0.243 0.000 1.261 225 D CA -0.174 53.688 54.000 -0.229 0.000 0.759 225 D CB 1.559 42.179 40.800 -0.301 0.000 1.279 225 D HN 0.243 nan 8.370 nan 0.000 0.420 226 T N -1.140 113.233 114.554 -0.301 0.000 2.899 226 T HA 0.693 5.043 4.350 -0.000 0.000 0.284 226 T C -0.546 173.924 174.700 -0.384 0.000 1.004 226 T CA -0.177 61.772 62.100 -0.251 0.000 1.043 226 T CB 0.760 69.473 68.868 -0.258 0.000 1.013 226 T HN 0.273 nan 8.240 nan 0.000 0.518 227 Y N -0.456 119.712 120.300 -0.220 0.000 2.477 227 Y HA 0.464 5.014 4.550 -0.000 0.000 0.347 227 Y C 0.267 176.196 175.900 0.048 0.000 0.981 227 Y CA -1.170 56.839 58.100 -0.151 0.000 1.033 227 Y CB 2.048 40.243 38.460 -0.442 0.000 1.245 227 Y HN 0.857 nan 8.280 nan 0.000 0.455 228 E N 2.013 122.384 120.200 0.285 0.000 2.313 228 E HA 0.441 4.791 4.350 -0.000 0.000 0.276 228 E C -0.879 175.827 176.600 0.177 0.000 1.031 228 E CA -0.299 56.228 56.400 0.212 0.000 0.857 228 E CB 0.600 30.415 29.700 0.192 0.000 1.040 228 E HN 0.706 nan 8.360 nan 0.000 0.408 229 C N 2.501 121.862 119.300 0.102 0.000 2.548 229 C HA 0.529 4.989 4.460 -0.000 0.000 0.412 229 C C 1.872 176.943 174.990 0.134 0.000 1.588 229 C CA -0.017 59.145 59.018 0.242 0.000 1.861 229 C CB 0.630 28.563 27.740 0.321 0.000 1.983 229 C HN 0.999 nan 8.230 nan 0.000 0.497 230 A N 1.032 123.939 122.820 0.146 0.000 1.978 230 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 230 A C 1.434 179.020 177.584 0.003 0.000 1.170 230 A CA 2.375 54.442 52.037 0.051 0.000 0.636 230 A CB -0.630 18.373 19.000 0.004 0.000 0.810 230 A HN 0.954 nan 8.150 nan 0.000 0.448 231 D N -2.368 118.026 120.400 -0.010 0.000 2.325 231 D HA 0.304 4.944 4.640 -0.000 0.000 0.225 231 D C 1.116 177.363 176.300 -0.089 0.000 1.096 231 D CA 0.712 54.686 54.000 -0.043 0.000 0.844 231 D CB -0.625 40.153 40.800 -0.037 0.000 0.925 231 D HN 0.732 nan 8.370 nan 0.000 0.513 232 G N 0.332 109.057 108.800 -0.124 0.000 2.184 232 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 232 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 232 G C 0.425 175.031 174.900 -0.491 0.000 0.975 232 G CA 0.165 45.135 45.100 -0.217 0.000 0.642 232 G HN 0.480 nan 8.290 nan 0.000 0.536 233 R N -1.201 119.043 120.500 -0.427 0.000 2.606 233 R HA 0.721 5.061 4.340 -0.000 0.000 0.249 233 R C -0.479 175.421 176.300 -0.667 0.000 1.127 233 R CA -0.594 55.169 56.100 -0.561 0.000 1.133 233 R CB 0.565 30.746 30.300 -0.197 0.000 1.243 233 R HN 0.246 nan 8.270 nan 0.000 0.558 234 Y N -0.781 119.523 120.300 0.007 0.000 2.536 234 Y HA 0.469 5.019 4.550 -0.000 0.000 0.347 234 Y C -0.182 175.693 175.900 -0.040 0.000 1.000 234 Y CA -1.214 56.872 58.100 -0.024 0.000 1.051 234 Y CB 1.656 40.075 38.460 -0.069 0.000 1.259 234 Y HN 0.250 nan 8.280 nan 0.000 0.468 235 V N -0.722 119.222 119.914 0.050 0.000 2.815 235 V HA 1.007 5.127 4.120 -0.000 0.000 0.314 235 V C -0.380 175.623 176.094 -0.151 0.000 1.064 235 V CA -1.215 61.036 62.300 -0.081 0.000 0.952 235 V CB 1.397 33.095 31.823 -0.208 0.000 1.020 235 V HN 0.971 nan 8.190 nan 0.000 0.439 236 A N 3.092 125.814 122.820 -0.162 0.000 2.292 236 A HA 0.805 5.125 4.320 -0.000 0.000 0.319 236 A C -0.441 176.998 177.584 -0.241 0.000 1.206 236 A CA -0.606 51.312 52.037 -0.198 0.000 0.835 236 A CB 1.129 20.017 19.000 -0.187 0.000 1.164 236 A HN 1.209 nan 8.150 nan 0.000 0.505 237 V N 2.015 121.797 119.914 -0.220 0.000 2.435 237 V HA 0.647 4.766 4.120 -0.000 0.000 0.290 237 V C 0.964 176.932 176.094 -0.209 0.000 1.030 237 V CA 0.394 62.586 62.300 -0.180 0.000 0.881 237 V CB 1.727 33.516 31.823 -0.056 0.000 0.983 237 V HN 1.152 nan 8.190 nan 0.000 0.445 238 G N 2.847 111.562 108.800 -0.141 0.000 4.379 238 G HA2 0.436 4.396 3.960 -0.000 0.000 0.290 238 G HA3 0.436 4.396 3.960 -0.000 0.000 0.290 238 G C 0.364 175.376 174.900 0.187 0.000 1.065 238 G CA 0.477 45.520 45.100 -0.096 0.000 0.833 238 G HN 0.905 nan 8.290 nan 0.000 0.512 239 A N 0.929 123.902 122.820 0.255 0.000 3.091 239 A HA 0.567 4.887 4.320 -0.000 0.000 0.264 239 A C 1.370 179.133 177.584 0.298 0.000 1.673 239 A CA -0.399 51.817 52.037 0.299 0.000 1.362 239 A CB -0.509 18.640 19.000 0.248 0.000 1.137 239 A HN 0.368 nan 8.150 nan 0.000 0.617 240 I N -0.199 120.570 120.570 0.330 0.000 2.110 240 I HA -0.146 4.024 4.170 -0.000 0.000 0.236 240 I C 0.763 176.859 176.117 -0.035 0.000 1.068 240 I CA 0.745 62.155 61.300 0.183 0.000 1.333 240 I CB -0.270 37.904 38.000 0.290 0.000 1.054 240 I HN 0.448 nan 8.210 nan 0.000 0.402 241 E N 2.214 122.447 120.200 0.054 0.000 2.414 241 E HA -0.025 4.325 4.350 -0.000 0.000 0.263 241 E C -1.568 174.942 176.600 -0.151 0.000 1.000 241 E CA -1.009 55.309 56.400 -0.137 0.000 0.914 241 E CB 0.045 29.518 29.700 -0.378 0.000 0.948 241 E HN 0.136 nan 8.360 nan 0.000 0.444 242 P HA -0.281 nan 4.420 nan 0.000 0.217 242 P C 1.020 178.315 177.300 -0.009 0.000 1.148 242 P CA 1.418 64.482 63.100 -0.060 0.000 0.828 242 P CB 0.243 31.898 31.700 -0.075 0.000 0.783 243 Q N -1.191 118.515 119.800 -0.156 0.000 2.245 243 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 243 Q C 1.806 177.857 176.000 0.085 0.000 0.955 243 Q CA 1.207 56.952 55.803 -0.097 0.000 0.870 243 Q CB -0.936 27.689 28.738 -0.189 0.000 0.945 243 Q HN 0.166 nan 8.270 nan 0.000 0.461 244 F N 0.467 120.447 119.950 0.050 0.000 2.149 244 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 244 F C 2.404 178.229 175.800 0.042 0.000 1.095 244 F CA -0.073 57.952 58.000 0.042 0.000 1.276 244 F CB -1.529 37.496 39.000 0.043 0.000 1.023 244 F HN 0.045 nan 8.300 nan 0.000 0.480 245 Y N 1.208 121.579 120.300 0.118 0.000 2.139 245 Y HA -0.280 4.270 4.550 -0.000 0.000 0.282 245 Y C 2.409 178.324 175.900 0.025 0.000 1.179 245 Y CA 1.700 59.810 58.100 0.018 0.000 1.161 245 Y CB -0.650 37.754 38.460 -0.093 0.000 0.970 245 Y HN -0.004 nan 8.280 nan 0.000 0.511 246 A N 0.209 123.047 122.820 0.031 0.000 1.902 246 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 246 A C 2.444 180.010 177.584 -0.029 0.000 1.181 246 A CA 1.861 53.876 52.037 -0.036 0.000 0.623 246 A CB -1.499 17.525 19.000 0.040 0.000 0.818 246 A HN 0.611 nan 8.150 nan 0.000 0.443 247 A N -0.881 121.973 122.820 0.056 0.000 1.933 247 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 247 A C 2.227 179.883 177.584 0.120 0.000 1.175 247 A CA 1.871 53.969 52.037 0.101 0.000 0.628 247 A CB -0.527 18.568 19.000 0.159 0.000 0.814 247 A HN 0.511 nan 8.150 nan 0.000 0.444 248 M N -0.151 119.456 119.600 0.012 0.000 2.065 248 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 248 M C 2.063 178.319 176.300 -0.074 0.000 1.069 248 M CA 1.768 57.011 55.300 -0.094 0.000 1.110 248 M CB -0.686 31.765 32.600 -0.248 0.000 1.328 248 M HN 0.458 nan 8.290 nan 0.000 0.405 249 L N -0.147 120.929 121.223 -0.245 0.000 2.079 249 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 249 L C 2.674 179.489 176.870 -0.092 0.000 1.081 249 L CA 1.216 55.916 54.840 -0.234 0.000 0.752 249 L CB -1.090 40.781 42.059 -0.313 0.000 0.896 249 L HN 0.366 nan 8.230 nan 0.000 0.433 250 A N 0.516 123.316 122.820 -0.032 0.000 1.877 250 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 250 A C 2.436 180.021 177.584 0.002 0.000 1.186 250 A CA 1.656 53.689 52.037 -0.006 0.000 0.620 250 A CB -1.270 17.736 19.000 0.011 0.000 0.822 250 A HN 0.421 nan 8.150 nan 0.000 0.443 251 G N -0.258 108.580 108.800 0.064 0.000 2.469 251 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 251 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 251 G C 1.436 176.313 174.900 -0.037 0.000 1.136 251 G CA 1.109 46.146 45.100 -0.104 0.000 0.759 251 G HN 0.442 nan 8.290 nan 0.000 0.562 252 L N 0.254 121.494 121.223 0.028 0.000 2.492 252 L HA 0.200 4.540 4.340 -0.000 0.000 0.223 252 L C 2.030 178.882 176.870 -0.031 0.000 1.132 252 L CA 0.456 55.231 54.840 -0.109 0.000 0.850 252 L CB -0.199 41.636 42.059 -0.373 0.000 0.966 252 L HN 0.411 nan 8.230 nan 0.000 0.454 253 G N 0.974 109.762 108.800 -0.020 0.000 2.176 253 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 253 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 253 G C 0.012 174.898 174.900 -0.024 0.000 1.024 253 G CA -0.161 44.935 45.100 -0.007 0.000 0.755 253 G HN 0.232 nan 8.290 nan 0.000 0.507 254 L N 0.588 121.777 121.223 -0.055 0.000 2.275 254 L HA 0.385 4.725 4.340 -0.000 0.000 0.288 254 L C 0.043 176.888 176.870 -0.042 0.000 1.046 254 L CA -0.958 53.847 54.840 -0.059 0.000 0.805 254 L CB 1.370 43.368 42.059 -0.102 0.000 1.193 254 L HN 0.097 nan 8.230 nan 0.000 0.426 255 D N 2.530 122.918 120.400 -0.020 0.000 2.338 255 D HA 0.158 4.798 4.640 -0.000 0.000 0.255 255 D C 0.883 177.185 176.300 0.003 0.000 1.237 255 D CA 0.046 54.042 54.000 -0.007 0.000 0.883 255 D CB 1.851 42.652 40.800 0.002 0.000 1.087 255 D HN 0.624 nan 8.370 nan 0.000 0.485 256 A N 4.229 127.052 122.820 0.006 0.000 1.986 256 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 256 A C 2.067 179.679 177.584 0.048 0.000 1.171 256 A CA 1.901 53.959 52.037 0.035 0.000 0.640 256 A CB -0.489 18.537 19.000 0.044 0.000 0.811 256 A HN 0.653 nan 8.150 nan 0.000 0.451 257 A N -1.065 121.775 122.820 0.033 0.000 2.172 257 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 257 A C 1.595 179.198 177.584 0.032 0.000 1.154 257 A CA 1.439 53.495 52.037 0.032 0.000 0.701 257 A CB -0.164 18.849 19.000 0.022 0.000 0.789 257 A HN 0.404 nan 8.150 nan 0.000 0.465 258 E N -0.698 119.521 120.200 0.032 0.000 2.501 258 E HA 0.274 4.624 4.350 -0.000 0.000 0.201 258 E C -0.121 176.505 176.600 0.043 0.000 1.016 258 E CA 0.096 56.515 56.400 0.031 0.000 0.920 258 E CB 0.224 29.937 29.700 0.022 0.000 1.023 258 E HN 0.553 nan 8.360 nan 0.000 0.474 259 L N 1.553 122.812 121.223 0.059 0.000 2.322 259 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 259 L C -2.207 174.723 176.870 0.099 0.000 1.012 259 L CA -2.213 52.678 54.840 0.085 0.000 0.815 259 L CB 1.032 43.156 42.059 0.107 0.000 1.295 259 L HN -0.232 nan 8.230 nan 0.000 0.438 260 P HA 0.232 nan 4.420 nan 0.000 0.272 260 P C -2.558 174.825 177.300 0.138 0.000 1.230 260 P CA -1.283 61.886 63.100 0.116 0.000 0.788 260 P CB -0.516 31.264 31.700 0.134 0.000 0.949 261 P HA -0.034 nan 4.420 nan 0.000 0.266 261 P C 1.121 178.484 177.300 0.105 0.000 1.193 261 P CA 0.147 63.297 63.100 0.084 0.000 0.770 261 P CB 0.300 32.022 31.700 0.037 0.000 0.836 262 Q N 2.463 122.258 119.800 -0.008 0.000 2.135 262 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 262 Q C 0.370 176.492 176.000 0.203 0.000 0.981 262 Q CA 1.480 57.166 55.803 -0.196 0.000 0.856 262 Q CB -0.050 28.151 28.738 -0.895 0.000 0.902 262 Q HN 0.455 nan 8.270 nan 0.000 0.425 263 N N 1.112 119.881 118.700 0.115 0.000 2.328 263 N HA 0.014 4.754 4.740 -0.000 0.000 0.247 263 N C -0.966 174.492 175.510 -0.087 0.000 1.165 263 N CA 0.001 53.142 53.050 0.152 0.000 0.873 263 N CB 0.524 39.046 38.487 0.058 0.000 1.125 263 N HN 0.127 nan 8.380 nan 0.000 0.513 264 D N 1.575 121.936 120.400 -0.064 0.000 2.435 264 D HA 0.120 4.760 4.640 -0.000 0.000 0.230 264 D C 1.210 177.267 176.300 -0.406 0.000 1.215 264 D CA -0.228 53.672 54.000 -0.166 0.000 0.947 264 D CB 0.455 41.229 40.800 -0.043 0.000 1.048 264 D HN 0.032 nan 8.370 nan 0.000 0.512 265 R N 2.463 122.531 120.500 -0.720 0.000 2.152 265 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 265 R C 1.829 177.858 176.300 -0.453 0.000 1.117 265 R CA 1.141 56.582 56.100 -1.099 0.000 0.981 265 R CB -0.107 29.592 30.300 -1.001 0.000 0.870 265 R HN 0.426 nan 8.270 nan 0.000 0.451 266 A N 1.253 123.918 122.820 -0.259 0.000 2.024 266 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 266 A C 1.635 179.201 177.584 -0.029 0.000 1.164 266 A CA 1.170 53.138 52.037 -0.114 0.000 0.643 266 A CB -0.113 18.835 19.000 -0.087 0.000 0.806 266 A HN 0.242 nan 8.150 nan 0.000 0.451 267 R N -2.446 118.054 120.500 0.000 0.000 2.613 267 R HA 0.081 4.421 4.340 -0.000 0.000 0.361 267 R C 0.664 177.106 176.300 0.237 0.000 1.072 267 R CA -0.469 55.688 56.100 0.095 0.000 1.089 267 R CB 0.068 30.416 30.300 0.081 0.000 1.343 267 R HN 0.571 nan 8.270 nan 0.000 0.571 268 W N 1.763 123.077 121.300 0.023 0.000 2.358 268 W HA 0.016 4.676 4.660 -0.000 0.000 0.303 268 W C -0.983 175.558 176.519 0.037 0.000 1.208 268 W CA 0.713 58.076 57.345 0.030 0.000 1.274 268 W CB -1.519 27.941 29.460 -0.001 0.000 1.138 268 W HN 0.068 nan 8.180 nan 0.000 0.515 269 P HA -0.242 nan 4.420 nan 0.000 0.215 269 P C 1.528 178.900 177.300 0.120 0.000 1.157 269 P CA 2.704 65.883 63.100 0.133 0.000 0.874 269 P CB -0.207 31.552 31.700 0.099 0.000 0.790 270 E N -0.537 119.737 120.200 0.125 0.000 2.051 270 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 270 E C 1.944 178.620 176.600 0.127 0.000 0.991 270 E CA 0.965 57.430 56.400 0.109 0.000 0.799 270 E CB -0.737 29.019 29.700 0.094 0.000 0.748 270 E HN -0.029 nan 8.360 nan 0.000 0.449 271 L N 1.765 123.089 121.223 0.169 0.000 2.013 271 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 271 L C 2.680 179.647 176.870 0.162 0.000 1.073 271 L CA 2.140 57.090 54.840 0.184 0.000 0.753 271 L CB -0.612 41.604 42.059 0.261 0.000 0.890 271 L HN 0.106 nan 8.230 nan 0.000 0.432 272 R N -0.915 119.675 120.500 0.150 0.000 2.081 272 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 272 R C 2.170 178.585 176.300 0.191 0.000 1.131 272 R CA 1.290 57.496 56.100 0.177 0.000 0.960 272 R CB -0.374 29.978 30.300 0.087 0.000 0.856 272 R HN 0.518 nan 8.270 nan 0.000 0.436 273 A N 0.885 123.783 122.820 0.131 0.000 1.933 273 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 273 A C 2.135 179.781 177.584 0.103 0.000 1.175 273 A CA 1.196 53.300 52.037 0.111 0.000 0.628 273 A CB -0.446 18.603 19.000 0.082 0.000 0.814 273 A HN 0.336 nan 8.150 nan 0.000 0.444 274 L N -0.824 120.452 121.223 0.089 0.000 2.109 274 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 274 L C 2.488 179.362 176.870 0.007 0.000 1.086 274 L CA 0.796 55.665 54.840 0.048 0.000 0.760 274 L CB -0.441 41.643 42.059 0.042 0.000 0.910 274 L HN 0.359 nan 8.230 nan 0.000 0.437 275 L N -0.980 120.260 121.223 0.028 0.000 2.093 275 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 275 L C 2.610 179.481 176.870 0.002 0.000 1.085 275 L CA 1.252 56.028 54.840 -0.107 0.000 0.755 275 L CB -0.880 41.109 42.059 -0.116 0.000 0.904 275 L HN 0.246 nan 8.230 nan 0.000 0.435 276 T N -0.811 113.904 114.554 0.267 0.000 2.684 276 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 276 T C 1.783 176.607 174.700 0.208 0.000 1.036 276 T CA 1.666 63.984 62.100 0.364 0.000 1.148 276 T CB -0.144 68.898 68.868 0.289 0.000 0.863 276 T HN 0.381 nan 8.240 nan 0.000 0.436 277 E N 0.747 121.016 120.200 0.116 0.000 2.110 277 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 277 E C 2.377 179.014 176.600 0.061 0.000 0.988 277 E CA 0.975 57.423 56.400 0.080 0.000 0.804 277 E CB -0.190 29.540 29.700 0.051 0.000 0.745 277 E HN 0.476 nan 8.360 nan 0.000 0.458 278 A N 0.497 123.296 122.820 -0.036 0.000 1.858 278 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 278 A C 1.898 179.434 177.584 -0.080 0.000 1.190 278 A CA 1.359 53.312 52.037 -0.140 0.000 0.617 278 A CB -0.932 17.814 19.000 -0.424 0.000 0.827 278 A HN 0.341 nan 8.150 nan 0.000 0.443 279 F N 0.195 120.079 119.950 -0.109 0.000 2.171 279 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 279 F C 2.742 178.764 175.800 0.370 0.000 1.090 279 F CA 0.725 58.675 58.000 -0.083 0.000 1.293 279 F CB -0.596 38.263 39.000 -0.234 0.000 1.013 279 F HN 0.250 nan 8.300 nan 0.000 0.486 280 A N -0.385 122.674 122.820 0.398 0.000 2.067 280 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 280 A C 2.295 180.006 177.584 0.213 0.000 1.158 280 A CA 1.594 53.800 52.037 0.281 0.000 0.661 280 A CB -1.025 18.082 19.000 0.179 0.000 0.801 280 A HN 0.399 nan 8.150 nan 0.000 0.452 281 S N -0.984 114.854 115.700 0.230 0.000 2.453 281 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 281 S C 0.833 175.194 174.600 -0.398 0.000 1.005 281 S CA 0.380 58.556 58.200 -0.040 0.000 0.949 281 S CB -0.341 62.853 63.200 -0.010 0.000 0.774 281 S HN 0.668 nan 8.310 nan 0.000 0.510 282 H N 1.056 120.215 119.070 0.150 0.000 2.908 282 H HA 0.435 4.991 4.556 -0.000 0.000 0.350 282 H C -1.072 174.214 175.328 -0.070 0.000 1.217 282 H CA -0.655 55.258 56.048 -0.225 0.000 1.168 282 H CB 1.032 30.254 29.762 -0.899 0.000 1.891 282 H HN 0.363 nan 8.280 nan 0.000 0.566 283 D N -0.475 119.910 120.400 -0.024 0.000 2.360 283 D HA 0.020 4.660 4.640 -0.000 0.000 0.242 283 D C 1.325 177.684 176.300 0.098 0.000 1.184 283 D CA -0.570 53.452 54.000 0.037 0.000 0.930 283 D CB 1.321 42.120 40.800 -0.002 0.000 1.161 283 D HN 0.486 nan 8.370 nan 0.000 0.447 284 R N 0.143 120.739 120.500 0.160 0.000 2.134 284 R HA -0.240 4.100 4.340 -0.000 0.000 0.248 284 R C 0.638 177.038 176.300 0.166 0.000 1.143 284 R CA 2.146 58.372 56.100 0.211 0.000 0.957 284 R CB -0.253 30.105 30.300 0.097 0.000 0.867 284 R HN 0.542 nan 8.270 nan 0.000 0.441 285 D N -1.139 119.303 120.400 0.070 0.000 2.234 285 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 285 D C 1.700 177.996 176.300 -0.006 0.000 0.962 285 D CA 0.738 54.759 54.000 0.034 0.000 0.855 285 D CB -0.476 40.327 40.800 0.005 0.000 0.951 285 D HN 0.424 nan 8.370 nan 0.000 0.500 286 H N -0.330 118.643 119.070 -0.161 0.000 2.289 286 H HA -0.165 4.391 4.556 -0.000 0.000 0.296 286 H C 1.673 176.852 175.328 -0.248 0.000 1.091 286 H CA 1.691 57.544 56.048 -0.325 0.000 1.274 286 H CB -0.374 29.040 29.762 -0.580 0.000 1.364 286 H HN 0.276 nan 8.280 nan 0.000 0.490 287 W N 0.740 122.073 121.300 0.054 0.000 2.374 287 W HA -0.045 4.615 4.660 -0.000 0.000 0.288 287 W C 2.874 179.471 176.519 0.129 0.000 1.218 287 W CA 0.339 57.768 57.345 0.140 0.000 1.245 287 W CB -0.475 29.238 29.460 0.422 0.000 1.126 287 W HN 0.293 nan 8.180 nan 0.000 0.545 288 G N 1.001 109.946 108.800 0.241 0.000 2.514 288 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 288 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 288 G C 1.674 176.609 174.900 0.059 0.000 1.198 288 G CA 1.922 47.104 45.100 0.138 0.000 0.780 288 G HN 0.315 nan 8.290 nan 0.000 0.565 289 A N 0.021 122.809 122.820 -0.054 0.000 1.851 289 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 289 A C 2.625 180.095 177.584 -0.191 0.000 1.195 289 A CA 2.281 54.239 52.037 -0.131 0.000 0.622 289 A CB -0.948 17.937 19.000 -0.192 0.000 0.831 289 A HN 0.373 nan 8.150 nan 0.000 0.444 290 V N -1.655 118.048 119.914 -0.351 0.000 2.469 290 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 290 V C 2.072 177.862 176.094 -0.507 0.000 1.064 290 V CA 2.152 64.155 62.300 -0.495 0.000 1.066 290 V CB -0.870 30.561 31.823 -0.653 0.000 0.667 290 V HN 0.595 nan 8.190 nan 0.000 0.461 291 F N -0.828 119.133 119.950 0.020 0.000 2.720 291 F HA 0.411 4.938 4.527 -0.000 0.000 0.301 291 F C 2.196 177.985 175.800 -0.017 0.000 1.103 291 F CA 0.461 58.470 58.000 0.015 0.000 1.291 291 F CB -0.364 38.666 39.000 0.050 0.000 1.086 291 F HN 0.018 nan 8.300 nan 0.000 0.592 292 A N 1.183 124.072 122.820 0.114 0.000 2.038 292 A HA -0.328 3.992 4.320 -0.000 0.000 0.224 292 A C 1.570 179.166 177.584 0.021 0.000 1.190 292 A CA 2.796 54.861 52.037 0.046 0.000 0.668 292 A CB -0.926 18.078 19.000 0.007 0.000 0.820 292 A HN 0.587 nan 8.150 nan 0.000 0.474 293 N N -1.672 117.041 118.700 0.023 0.000 2.332 293 N HA 0.096 4.836 4.740 -0.000 0.000 0.190 293 N C 0.759 176.275 175.510 0.009 0.000 1.117 293 N CA 0.467 53.519 53.050 0.003 0.000 0.883 293 N CB 0.388 38.870 38.487 -0.009 0.000 1.089 293 N HN 0.525 nan 8.380 nan 0.000 0.480 294 S N -0.257 115.471 115.700 0.046 0.000 2.694 294 S HA 0.258 4.728 4.470 -0.000 0.000 0.278 294 S C 0.108 174.707 174.600 -0.002 0.000 1.152 294 S CA -0.521 57.710 58.200 0.052 0.000 1.010 294 S CB 0.975 64.250 63.200 0.125 0.000 1.104 294 S HN -0.102 nan 8.310 nan 0.000 0.547 295 D N 0.252 120.640 120.400 -0.020 0.000 2.370 295 D HA 0.397 5.037 4.640 -0.000 0.000 0.230 295 D C 1.384 177.566 176.300 -0.198 0.000 1.143 295 D CA 0.214 54.093 54.000 -0.202 0.000 0.834 295 D CB -0.106 40.588 40.800 -0.178 0.000 0.944 295 D HN 0.614 nan 8.370 nan 0.000 0.504 296 A N -0.559 122.233 122.820 -0.047 0.000 2.168 296 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 296 A C 1.419 178.890 177.584 -0.189 0.000 1.152 296 A CA 0.135 52.129 52.037 -0.071 0.000 0.716 296 A CB -0.475 18.480 19.000 -0.075 0.000 0.794 296 A HN 0.403 nan 8.150 nan 0.000 0.465 297 C N -1.252 117.917 119.300 -0.218 0.000 4.350 297 C HA -0.096 4.364 4.460 -0.000 0.000 0.302 297 C C 0.277 175.130 174.990 -0.229 0.000 1.390 297 C CA 0.133 59.030 59.018 -0.202 0.000 2.016 297 C CB -3.293 24.372 27.740 -0.125 0.000 1.271 297 C HN 0.396 nan 8.230 nan 0.000 0.760 298 V N 1.177 120.916 119.914 -0.292 0.000 2.409 298 V HA 0.771 4.891 4.120 -0.000 0.000 0.291 298 V C 0.422 176.431 176.094 -0.140 0.000 1.020 298 V CA 0.346 62.446 62.300 -0.334 0.000 0.848 298 V CB 2.310 33.678 31.823 -0.758 0.000 0.990 298 V HN 0.599 nan 8.190 nan 0.000 0.430 299 T N 3.630 118.117 114.554 -0.112 0.000 2.906 299 T HA 0.651 5.001 4.350 -0.000 0.000 0.295 299 T C -3.095 171.591 174.700 -0.024 0.000 1.061 299 T CA -2.251 59.821 62.100 -0.046 0.000 1.000 299 T CB 2.427 71.253 68.868 -0.070 0.000 1.103 299 T HN 0.423 nan 8.240 nan 0.000 0.486 300 P HA 0.259 nan 4.420 nan 0.000 0.276 300 P C -0.503 176.799 177.300 0.003 0.000 1.230 300 P CA -0.406 62.711 63.100 0.028 0.000 0.776 300 P CB 0.729 32.451 31.700 0.036 0.000 0.888 301 V N 5.105 125.032 119.914 0.021 0.000 2.356 301 V HA 0.107 4.227 4.120 -0.000 0.000 0.258 301 V C 0.824 176.919 176.094 0.002 0.000 1.065 301 V CA -0.252 62.053 62.300 0.009 0.000 0.935 301 V CB -0.246 31.605 31.823 0.045 0.000 1.061 301 V HN 0.375 nan 8.190 nan 0.000 0.484 302 L N 4.337 125.539 121.223 -0.034 0.000 2.349 302 L HA 0.604 4.944 4.340 -0.000 0.000 0.275 302 L C 0.841 177.649 176.870 -0.104 0.000 1.115 302 L CA -0.150 54.659 54.840 -0.052 0.000 0.820 302 L CB 1.034 43.063 42.059 -0.051 0.000 1.135 302 L HN 0.660 nan 8.230 nan 0.000 0.445 303 A N 2.563 125.328 122.820 -0.092 0.000 2.322 303 A HA 0.341 4.661 4.320 -0.000 0.000 0.269 303 A C 0.897 178.425 177.584 -0.094 0.000 1.094 303 A CA -0.294 51.653 52.037 -0.150 0.000 0.807 303 A CB 0.105 19.068 19.000 -0.061 0.000 1.047 303 A HN 0.742 nan 8.150 nan 0.000 0.487 304 F N 1.441 121.378 119.950 -0.021 0.000 2.111 304 F HA -0.297 4.230 4.527 -0.000 0.000 0.300 304 F C 2.465 178.226 175.800 -0.066 0.000 1.088 304 F CA 1.623 59.591 58.000 -0.053 0.000 1.243 304 F CB -0.233 38.751 39.000 -0.028 0.000 0.996 304 F HN 0.696 nan 8.300 nan 0.000 0.483 305 G N -0.276 108.624 108.800 0.167 0.000 2.484 305 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 305 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 305 G C 1.233 176.221 174.900 0.146 0.000 1.130 305 G CA 0.787 45.969 45.100 0.138 0.000 0.784 305 G HN 0.559 nan 8.290 nan 0.000 0.543 306 E N 0.140 120.366 120.200 0.044 0.000 2.476 306 E HA 0.154 4.504 4.350 -0.000 0.000 0.199 306 E C 1.897 178.400 176.600 -0.162 0.000 1.021 306 E CA -0.071 56.297 56.400 -0.055 0.000 0.907 306 E CB 0.080 29.745 29.700 -0.057 0.000 0.974 306 E HN 0.152 nan 8.360 nan 0.000 0.489 307 V N 3.239 123.074 119.914 -0.131 0.000 2.324 307 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 307 V C 2.613 178.488 176.094 -0.365 0.000 1.060 307 V CA 2.357 64.525 62.300 -0.220 0.000 1.042 307 V CB -1.105 30.564 31.823 -0.256 0.000 0.650 307 V HN 0.629 nan 8.190 nan 0.000 0.450 308 H N -0.600 118.105 119.070 -0.609 0.000 2.559 308 H HA 0.009 4.565 4.556 -0.000 0.000 0.273 308 H C 1.365 176.410 175.328 -0.471 0.000 1.000 308 H CA 1.140 56.666 56.048 -0.870 0.000 1.195 308 H CB -0.350 28.420 29.762 -1.654 0.000 1.368 308 H HN 0.420 nan 8.280 nan 0.000 0.592 309 N N 0.746 118.982 118.700 -0.773 0.000 2.299 309 N HA -0.029 4.711 4.740 -0.000 0.000 0.187 309 N C 0.002 175.358 175.510 -0.257 0.000 1.099 309 N CA 0.118 52.859 53.050 -0.515 0.000 0.867 309 N CB 0.564 38.757 38.487 -0.491 0.000 0.974 309 N HN 0.406 nan 8.380 nan 0.000 0.477 310 E N 1.647 121.721 120.200 -0.211 0.000 2.223 310 E HA 0.173 4.522 4.350 -0.000 0.000 0.282 310 E C -1.717 174.851 176.600 -0.053 0.000 1.046 310 E CA -1.970 54.371 56.400 -0.099 0.000 0.857 310 E CB 1.342 31.005 29.700 -0.060 0.000 1.055 310 E HN -0.021 nan 8.360 nan 0.000 0.409 311 P HA -0.197 nan 4.420 nan 0.000 0.215 311 P C 0.729 178.050 177.300 0.036 0.000 1.157 311 P CA 1.435 64.537 63.100 0.003 0.000 0.874 311 P CB 0.019 31.728 31.700 0.015 0.000 0.790 312 H N -0.710 118.351 119.070 -0.017 0.000 2.387 312 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 312 H C 1.819 177.155 175.328 0.013 0.000 1.090 312 H CA 1.394 57.440 56.048 -0.002 0.000 1.332 312 H CB -0.638 29.123 29.762 -0.002 0.000 1.386 312 H HN -0.065 nan 8.280 nan 0.000 0.516 313 I N 0.149 120.719 120.570 0.001 0.000 2.202 313 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 313 I C 2.379 178.483 176.117 -0.021 0.000 1.091 313 I CA 1.141 62.443 61.300 0.003 0.000 1.368 313 I CB -0.925 37.101 38.000 0.044 0.000 1.058 313 I HN 0.349 nan 8.210 nan 0.000 0.410 314 I N 0.700 121.244 120.570 -0.043 0.000 2.179 314 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 314 I C 2.488 178.598 176.117 -0.012 0.000 1.088 314 I CA 1.389 62.674 61.300 -0.025 0.000 1.357 314 I CB -0.404 37.576 38.000 -0.034 0.000 1.051 314 I HN 0.244 nan 8.210 nan 0.000 0.409 315 E N 0.593 120.766 120.200 -0.046 0.000 2.150 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 315 E C 2.049 178.611 176.600 -0.062 0.000 0.985 315 E CA 0.814 57.188 56.400 -0.043 0.000 0.814 315 E CB -0.002 29.674 29.700 -0.039 0.000 0.752 315 E HN 0.473 nan 8.360 nan 0.000 0.466 316 R N 0.535 120.960 120.500 -0.125 0.000 2.317 316 R HA 0.094 4.434 4.340 -0.000 0.000 0.208 316 R C -0.003 176.270 176.300 -0.045 0.000 0.914 316 R CA -0.050 55.978 56.100 -0.119 0.000 1.060 316 R CB 0.129 30.287 30.300 -0.236 0.000 1.015 316 R HN 0.106 nan 8.270 nan 0.000 0.498 317 N N 1.104 119.808 118.700 0.007 0.000 2.714 317 N HA -0.155 4.585 4.740 -0.000 0.000 0.253 317 N C 0.061 175.609 175.510 0.064 0.000 1.024 317 N CA 0.994 54.091 53.050 0.079 0.000 0.726 317 N CB -0.892 37.645 38.487 0.083 0.000 0.908 317 N HN 0.238 nan 8.380 nan 0.000 0.542 318 T N -1.206 113.370 114.554 0.037 0.000 2.915 318 T HA -0.014 4.336 4.350 -0.000 0.000 0.269 318 T C 0.554 175.043 174.700 -0.352 0.000 1.071 318 T CA 1.137 63.161 62.100 -0.126 0.000 1.132 318 T CB 0.025 68.838 68.868 -0.091 0.000 0.878 318 T HN 0.308 nan 8.240 nan 0.000 0.479 319 F N 0.110 120.149 119.950 0.149 0.000 2.593 319 F HA 0.575 5.102 4.527 -0.000 0.000 0.320 319 F C -0.526 175.532 175.800 0.431 0.000 1.060 319 F CA -1.995 56.155 58.000 0.250 0.000 0.940 319 F CB 1.496 40.623 39.000 0.213 0.000 1.268 319 F HN 0.058 nan 8.300 nan 0.000 0.475 320 Y N -1.690 118.904 120.300 0.490 0.000 2.536 320 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 320 Y C -0.906 175.099 175.900 0.175 0.000 1.000 320 Y CA -1.437 56.857 58.100 0.323 0.000 1.051 320 Y CB 0.999 39.540 38.460 0.134 0.000 1.259 320 Y HN 0.533 nan 8.280 nan 0.000 0.468 321 E N 1.826 121.889 120.200 -0.229 0.000 2.259 321 E HA 0.512 4.862 4.350 -0.000 0.000 0.281 321 E C -0.357 176.099 176.600 -0.240 0.000 1.037 321 E CA -0.341 55.696 56.400 -0.605 0.000 0.854 321 E CB 1.301 30.476 29.700 -0.875 0.000 1.051 321 E HN 0.817 nan 8.360 nan 0.000 0.409 322 A N 3.840 126.490 122.820 -0.282 0.000 3.204 322 A HA 0.250 4.569 4.320 -0.000 0.000 0.197 322 A C 0.161 177.667 177.584 -0.130 0.000 1.915 322 A CA -0.454 51.534 52.037 -0.082 0.000 0.878 322 A CB 0.159 19.137 19.000 -0.037 0.000 1.868 322 A HN 0.587 nan 8.150 nan 0.000 0.685 323 N N -0.734 117.917 118.700 -0.081 0.000 2.402 323 N HA 0.435 5.175 4.740 -0.000 0.000 0.252 323 N C 0.649 176.094 175.510 -0.109 0.000 1.118 323 N CA 1.581 54.580 53.050 -0.084 0.000 0.945 323 N CB 0.401 38.860 38.487 -0.047 0.000 1.147 323 N HN 1.123 nan 8.380 nan 0.000 0.495 324 G N 1.663 110.378 108.800 -0.142 0.000 4.024 324 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.206 324 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.206 324 G C 0.357 175.132 174.900 -0.207 0.000 1.608 324 G CA -0.030 44.986 45.100 -0.140 0.000 1.221 324 G HN 0.923 nan 8.290 nan 0.000 0.623 325 G N -1.368 107.291 108.800 -0.234 0.000 3.135 325 G HA2 0.534 4.494 3.960 -0.000 0.000 0.278 325 G HA3 0.534 4.494 3.960 -0.000 0.000 0.278 325 G C -1.322 173.339 174.900 -0.398 0.000 1.302 325 G CA -0.452 44.465 45.100 -0.305 0.000 0.880 325 G HN 0.520 nan 8.290 nan 0.000 0.574 326 W N 0.652 121.830 121.300 -0.203 0.000 2.316 326 W HA 0.615 5.275 4.660 -0.000 0.000 0.321 326 W C 0.206 176.627 176.519 -0.162 0.000 1.203 326 W CA -0.227 56.998 57.345 -0.200 0.000 1.214 326 W CB 1.144 30.458 29.460 -0.243 0.000 1.169 326 W HN 0.130 nan 8.180 nan 0.000 0.561 327 Q N 3.506 123.277 119.800 -0.049 0.000 2.397 327 Q HA 0.386 4.726 4.340 -0.000 0.000 0.275 327 Q C -2.479 173.523 176.000 0.004 0.000 1.090 327 Q CA -2.236 53.498 55.803 -0.116 0.000 0.809 327 Q CB 1.989 30.455 28.738 -0.454 0.000 1.362 327 Q HN 0.125 nan 8.270 nan 0.000 0.431 328 P HA 0.150 nan 4.420 nan 0.000 0.275 328 P C -0.252 177.090 177.300 0.069 0.000 1.227 328 P CA -0.280 62.647 63.100 -0.289 0.000 0.781 328 P CB 0.628 32.148 31.700 -0.301 0.000 0.906 329 M N 3.658 123.273 119.600 0.026 0.000 2.226 329 M HA 0.223 4.703 4.480 -0.000 0.000 0.324 329 M C -1.866 174.439 176.300 0.008 0.000 1.112 329 M CA -1.882 53.483 55.300 0.109 0.000 1.176 329 M CB -0.968 31.668 32.600 0.061 0.000 1.430 329 M HN 0.188 nan 8.290 nan 0.000 0.462 330 P HA 0.116 nan 4.420 nan 0.000 0.263 330 P C -1.255 176.048 177.300 0.005 0.000 1.175 330 P CA 0.132 63.238 63.100 0.010 0.000 0.761 330 P CB 0.239 31.953 31.700 0.025 0.000 0.794 331 A N 4.207 127.030 122.820 0.004 0.000 2.454 331 A HA 0.782 5.101 4.320 -0.000 0.000 0.302 331 A C -2.363 175.229 177.584 0.014 0.000 1.079 331 A CA -1.322 50.702 52.037 -0.022 0.000 0.731 331 A CB 0.657 19.629 19.000 -0.047 0.000 1.299 331 A HN 0.397 nan 8.150 nan 0.000 0.413 332 P HA 0.420 nan 4.420 nan 0.000 0.293 332 P C -0.732 176.355 177.300 -0.354 0.000 1.298 332 P CA -0.386 62.574 63.100 -0.233 0.000 0.757 332 P CB 0.530 32.018 31.700 -0.353 0.000 1.262 333 R N -1.095 119.138 120.500 -0.445 0.000 2.598 333 R HA 0.602 4.942 4.340 -0.000 0.000 0.279 333 R C -0.738 175.184 176.300 -0.631 0.000 0.984 333 R CA -0.395 55.500 56.100 -0.341 0.000 0.999 333 R CB 0.673 30.883 30.300 -0.149 0.000 1.114 333 R HN 0.357 nan 8.270 nan 0.000 0.493 334 F N -0.164 119.772 119.950 -0.023 0.000 2.518 334 F HA 0.173 4.700 4.527 -0.000 0.000 0.323 334 F C 1.351 177.141 175.800 -0.016 0.000 1.129 334 F CA -0.800 57.188 58.000 -0.020 0.000 0.920 334 F CB 2.112 41.099 39.000 -0.021 0.000 1.160 334 F HN 0.590 nan 8.300 nan 0.000 0.440 335 S N 2.001 117.772 115.700 0.118 0.000 2.402 335 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 335 S C 1.870 176.512 174.600 0.070 0.000 1.021 335 S CA 1.129 59.369 58.200 0.067 0.000 0.974 335 S CB -0.064 63.157 63.200 0.036 0.000 0.800 335 S HN 0.761 nan 8.310 nan 0.000 0.484 336 R N 1.387 121.939 120.500 0.088 0.000 2.102 336 R HA 0.081 4.421 4.340 -0.000 0.000 0.208 336 R C 0.179 176.504 176.300 0.042 0.000 1.131 336 R CA 1.298 57.431 56.100 0.054 0.000 1.054 336 R CB -0.074 30.252 30.300 0.042 0.000 0.954 336 R HN 0.524 nan 8.270 nan 0.000 0.465 337 T N -0.224 114.356 114.554 0.042 0.000 3.145 337 T HA 0.630 4.980 4.350 -0.000 0.000 0.348 337 T C -0.233 174.477 174.700 0.016 0.000 1.299 337 T CA -0.695 61.400 62.100 -0.009 0.000 1.037 337 T CB 1.295 70.116 68.868 -0.078 0.000 1.122 337 T HN 0.264 nan 8.240 nan 0.000 0.600 338 A N 3.148 125.997 122.820 0.047 0.000 2.401 338 A HA 0.591 4.911 4.320 -0.000 0.000 0.259 338 A C 0.776 178.379 177.584 0.032 0.000 1.103 338 A CA -0.615 51.472 52.037 0.082 0.000 0.789 338 A CB 0.119 19.154 19.000 0.059 0.000 1.035 338 A HN 0.757 nan 8.150 nan 0.000 0.491 339 S N 1.395 117.132 115.700 0.061 0.000 2.572 339 S HA 0.266 4.736 4.470 -0.000 0.000 0.279 339 S C 0.865 175.455 174.600 -0.017 0.000 1.341 339 S CA -0.336 57.867 58.200 0.006 0.000 1.043 339 S CB 0.524 63.748 63.200 0.039 0.000 0.887 339 S HN 0.788 nan 8.310 nan 0.000 0.516 340 S N 1.462 117.135 115.700 -0.045 0.000 2.645 340 S HA 0.181 4.651 4.470 -0.000 0.000 0.266 340 S C 0.219 174.750 174.600 -0.114 0.000 1.258 340 S CA -0.711 57.450 58.200 -0.066 0.000 0.990 340 S CB 0.392 63.554 63.200 -0.065 0.000 0.967 340 S HN 0.741 nan 8.310 nan 0.000 0.556 341 Q N 1.277 120.983 119.800 -0.156 0.000 2.300 341 Q HA 0.111 4.451 4.340 -0.000 0.000 0.280 341 Q C -2.379 173.442 176.000 -0.299 0.000 1.033 341 Q CA -1.365 54.253 55.803 -0.307 0.000 0.903 341 Q CB 0.086 28.636 28.738 -0.314 0.000 1.195 341 Q HN 0.220 nan 8.270 nan 0.000 0.386 342 P HA -0.038 nan 4.420 nan 0.000 0.266 342 P C -1.128 176.088 177.300 -0.141 0.000 1.195 342 P CA 0.451 63.427 63.100 -0.207 0.000 0.768 342 P CB 0.496 32.115 31.700 -0.135 0.000 0.838 343 R N 4.233 124.693 120.500 -0.067 0.000 2.390 343 R HA 0.307 4.647 4.340 -0.000 0.000 0.291 343 R C -2.064 174.235 176.300 -0.001 0.000 1.070 343 R CA -1.636 54.444 56.100 -0.035 0.000 1.014 343 R CB -0.278 30.006 30.300 -0.026 0.000 1.007 343 R HN 0.391 nan 8.270 nan 0.000 0.466 344 P HA 0.037 nan 4.420 nan 0.000 0.269 344 P C -2.379 174.932 177.300 0.019 0.000 1.217 344 P CA -1.127 61.993 63.100 0.034 0.000 0.783 344 P CB -0.071 31.644 31.700 0.026 0.000 0.898 345 P HA 0.103 nan 4.420 nan 0.000 0.263 345 P C -0.666 176.636 177.300 0.004 0.000 1.175 345 P CA 0.905 64.012 63.100 0.012 0.000 0.761 345 P CB 0.166 31.875 31.700 0.015 0.000 0.794 346 A N 2.903 125.722 122.820 -0.002 0.000 2.387 346 A HA 0.778 5.098 4.320 -0.000 0.000 0.303 346 A C -0.251 177.328 177.584 -0.009 0.000 1.145 346 A CA -0.491 51.542 52.037 -0.007 0.000 0.801 346 A CB 0.970 19.963 19.000 -0.011 0.000 1.342 346 A HN 0.564 nan 8.150 nan 0.000 0.440 347 A N 0.222 123.035 122.820 -0.011 0.000 2.615 347 A HA 0.421 4.741 4.320 -0.000 0.000 0.230 347 A C 0.741 178.314 177.584 -0.017 0.000 1.062 347 A CA 0.910 52.940 52.037 -0.012 0.000 0.758 347 A CB -0.740 18.252 19.000 -0.013 0.000 0.995 347 A HN 1.013 nan 8.150 nan 0.000 0.511 348 T N 1.532 116.076 114.554 -0.017 0.000 2.916 348 T HA 0.385 4.735 4.350 -0.000 0.000 0.303 348 T C 0.351 175.034 174.700 -0.029 0.000 1.025 348 T CA 0.905 62.992 62.100 -0.022 0.000 1.142 348 T CB -0.130 68.727 68.868 -0.017 0.000 0.947 348 T HN 0.822 nan 8.240 nan 0.000 0.544 349 I N -0.193 120.353 120.570 -0.041 0.000 2.750 349 I HA 0.604 4.774 4.170 -0.000 0.000 0.308 349 I C -0.350 175.734 176.117 -0.055 0.000 1.016 349 I CA -0.955 60.315 61.300 -0.049 0.000 1.098 349 I CB 1.480 39.443 38.000 -0.061 0.000 1.279 349 I HN 0.265 nan 8.210 nan 0.000 0.454 350 D N 3.676 124.045 120.400 -0.053 0.000 2.351 350 D HA 0.147 4.787 4.640 -0.000 0.000 0.251 350 D C 1.108 177.365 176.300 -0.072 0.000 1.137 350 D CA 0.248 54.217 54.000 -0.052 0.000 0.879 350 D CB 1.393 42.169 40.800 -0.040 0.000 1.181 350 D HN 0.780 nan 8.370 nan 0.000 0.448 351 I N 3.331 123.860 120.570 -0.070 0.000 2.335 351 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 351 I C 1.665 177.725 176.117 -0.094 0.000 1.129 351 I CA 1.118 62.364 61.300 -0.091 0.000 1.402 351 I CB 0.328 38.287 38.000 -0.067 0.000 1.069 351 I HN 0.389 nan 8.210 nan 0.000 0.424 352 E N 1.169 121.330 120.200 -0.064 0.000 2.085 352 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 352 E C 2.237 178.799 176.600 -0.063 0.000 0.994 352 E CA 1.429 57.799 56.400 -0.051 0.000 0.801 352 E CB -0.578 29.103 29.700 -0.033 0.000 0.743 352 E HN 0.629 nan 8.360 nan 0.000 0.453 353 A N 1.390 124.167 122.820 -0.072 0.000 1.908 353 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 353 A C 2.666 180.181 177.584 -0.115 0.000 1.181 353 A CA 1.726 53.718 52.037 -0.075 0.000 0.627 353 A CB -0.736 18.221 19.000 -0.070 0.000 0.818 353 A HN 0.147 nan 8.150 nan 0.000 0.445 354 V N -0.038 119.765 119.914 -0.185 0.000 2.343 354 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 354 V C 2.530 178.442 176.094 -0.304 0.000 1.051 354 V CA 1.842 63.936 62.300 -0.343 0.000 1.036 354 V CB -0.837 30.687 31.823 -0.499 0.000 0.654 354 V HN 0.555 nan 8.190 nan 0.000 0.451 355 L N -0.056 121.066 121.223 -0.168 0.000 2.046 355 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 355 L C 2.667 179.553 176.870 0.027 0.000 1.077 355 L CA 1.998 56.812 54.840 -0.042 0.000 0.747 355 L CB -0.889 41.158 42.059 -0.020 0.000 0.896 355 L HN 0.391 nan 8.230 nan 0.000 0.432 356 T N -1.370 113.183 114.554 -0.001 0.000 2.777 356 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 356 T C 1.482 176.212 174.700 0.051 0.000 1.040 356 T CA 1.534 63.648 62.100 0.023 0.000 1.141 356 T CB -0.310 68.560 68.868 0.004 0.000 0.868 356 T HN 0.385 nan 8.240 nan 0.000 0.444 357 D N 0.268 120.685 120.400 0.028 0.000 2.104 357 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 357 D C 1.331 177.776 176.300 0.242 0.000 0.994 357 D CA 1.044 55.092 54.000 0.079 0.000 0.830 357 D CB -0.308 40.495 40.800 0.005 0.000 0.959 357 D HN 0.393 nan 8.370 nan 0.000 0.452 358 W N 0.871 122.167 121.300 -0.007 0.000 3.077 358 W HA 0.215 4.875 4.660 -0.000 0.000 0.245 358 W C 0.835 177.350 176.519 -0.006 0.000 1.316 358 W CA 0.538 57.878 57.345 -0.008 0.000 1.537 358 W CB -0.337 29.118 29.460 -0.007 0.000 1.131 358 W HN 0.161 nan 8.180 nan 0.000 0.695 359 D N -2.681 117.836 120.400 0.195 0.000 2.792 359 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 359 D C 1.156 177.513 176.300 0.095 0.000 1.007 359 D CA 1.665 55.730 54.000 0.109 0.000 1.020 359 D CB -1.328 39.517 40.800 0.075 0.000 1.089 359 D HN 0.267 nan 8.370 nan 0.000 0.438 360 G N 0.000 108.880 108.800 0.133 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.163 45.100 0.105 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925