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 1szo_1_H DATA FIRST_RESID 4 DATA SEQUENCE LATPFQEYSQ KYENIRLERD GGVLLVTVHT EGKSLVWTST AHDELAYCFH DATA SEQUENCE DIACDRENKV VILTGTGPSF CNEIDFTSFN LGTPHDWDEI IFEGQRLLNN DATA SEQUENCE LLSIEVPVIA AVNGPVTNAP EIPVMSDIVL AAESATFQDG PHFPSGIVPG DATA SEQUENCE DGAHVVWPHV LGSNRGRYFL LTGQELDART ALDYGAVNEV LSEQELLPRA DATA SEQUENCE WELARGIAEK PLLARRYARK VLTRQLRRVM EADLSLGLAH EALAAIDL 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.916 176.870 0.077 0.000 1.165 4 L CA 0.000 54.878 54.840 0.063 0.000 0.813 4 L CB 0.000 42.095 42.059 0.060 0.000 0.961 5 A N 0.808 123.674 122.820 0.076 0.000 2.445 5 A HA 0.493 4.813 4.320 -0.000 0.000 0.242 5 A C 0.317 177.973 177.584 0.120 0.000 1.075 5 A CA 0.422 52.511 52.037 0.086 0.000 0.777 5 A CB -0.003 19.038 19.000 0.070 0.000 1.013 5 A HN 0.131 nan 8.150 nan 0.000 0.493 6 T N 5.133 119.775 114.554 0.147 0.000 2.817 6 T HA 0.379 4.729 4.350 -0.000 0.000 0.295 6 T C -2.079 172.817 174.700 0.327 0.000 0.958 6 T CA -0.214 62.013 62.100 0.211 0.000 1.157 6 T CB 0.181 69.189 68.868 0.234 0.000 0.898 6 T HN 0.606 nan 8.240 nan 0.000 0.536 7 P HA 0.207 nan 4.420 nan 0.000 0.279 7 P C 0.749 178.122 177.300 0.121 0.000 1.252 7 P CA -0.833 62.399 63.100 0.220 0.000 0.811 7 P CB 0.753 32.526 31.700 0.122 0.000 1.035 8 F N 1.963 121.812 119.950 -0.168 0.000 2.115 8 F HA -0.305 4.222 4.527 -0.000 0.000 0.300 8 F C 2.765 178.268 175.800 -0.495 0.000 1.092 8 F CA 3.221 60.797 58.000 -0.708 0.000 1.245 8 F CB -1.314 37.491 39.000 -0.325 0.000 0.995 8 F HN 0.387 nan 8.300 nan 0.000 0.481 9 Q N 0.295 119.994 119.800 -0.168 0.000 2.181 9 Q HA -0.254 4.086 4.340 -0.000 0.000 0.205 9 Q C 2.192 178.048 176.000 -0.240 0.000 0.980 9 Q CA 1.948 57.644 55.803 -0.178 0.000 0.862 9 Q CB -1.097 27.628 28.738 -0.023 0.000 0.905 9 Q HN 0.765 nan 8.270 nan 0.000 0.429 10 E N -1.103 118.992 120.200 -0.176 0.000 2.060 10 E HA -0.093 4.256 4.350 -0.000 0.000 0.189 10 E C 1.998 178.519 176.600 -0.132 0.000 0.974 10 E CA 1.067 57.401 56.400 -0.110 0.000 0.808 10 E CB -0.089 29.608 29.700 -0.006 0.000 0.768 10 E HN 0.923 nan 8.360 nan 0.000 0.453 11 Y N -0.027 120.198 120.300 -0.124 0.000 2.519 11 Y HA 0.157 4.707 4.550 -0.000 0.000 0.287 11 Y C 2.068 177.888 175.900 -0.133 0.000 1.128 11 Y CA 0.702 58.744 58.100 -0.097 0.000 1.282 11 Y CB -0.699 37.809 38.460 0.080 0.000 1.027 11 Y HN -0.005 nan 8.280 nan 0.000 0.551 12 S N -0.450 114.892 115.700 -0.596 0.000 2.469 12 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 12 S C 1.287 175.759 174.600 -0.212 0.000 0.998 12 S CA 0.966 58.828 58.200 -0.564 0.000 0.957 12 S CB -0.317 62.080 63.200 -1.340 0.000 0.764 12 S HN 0.590 nan 8.310 nan 0.000 0.514 13 Q N 0.177 119.859 119.800 -0.197 0.000 2.179 13 Q HA 0.335 4.674 4.340 -0.000 0.000 0.213 13 Q C 1.227 177.135 176.000 -0.153 0.000 0.833 13 Q CA 0.083 55.809 55.803 -0.128 0.000 0.990 13 Q CB 0.382 29.041 28.738 -0.130 0.000 1.132 13 Q HN 0.712 nan 8.270 nan 0.000 0.493 14 K N -0.074 120.164 120.400 -0.270 0.000 2.365 14 K HA 0.025 4.345 4.320 -0.000 0.000 0.197 14 K C -0.493 175.758 176.600 -0.581 0.000 1.042 14 K CA 0.549 56.519 56.287 -0.528 0.000 0.987 14 K CB 0.476 32.490 32.500 -0.811 0.000 0.779 14 K HN -0.076 nan 8.250 nan 0.000 0.484 15 Y N 1.125 121.418 120.300 -0.012 0.000 2.328 15 Y HA 0.137 4.687 4.550 -0.000 0.000 0.336 15 Y C 0.680 176.563 175.900 -0.029 0.000 0.960 15 Y CA -1.162 56.921 58.100 -0.028 0.000 1.134 15 Y CB 1.734 40.187 38.460 -0.012 0.000 1.166 15 Y HN 0.119 nan 8.280 nan 0.000 0.464 16 E N 0.263 120.496 120.200 0.055 0.000 2.208 16 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 16 E C -0.064 176.452 176.600 -0.140 0.000 0.988 16 E CA 1.541 57.934 56.400 -0.013 0.000 0.828 16 E CB -0.097 29.571 29.700 -0.053 0.000 0.763 16 E HN 0.738 nan 8.360 nan 0.000 0.478 17 N N 0.141 118.741 118.700 -0.165 0.000 2.230 17 N HA 0.272 5.012 4.740 -0.000 0.000 0.202 17 N C -0.864 174.516 175.510 -0.217 0.000 1.119 17 N CA -0.071 52.754 53.050 -0.375 0.000 0.851 17 N CB 0.769 39.105 38.487 -0.251 0.000 0.990 17 N HN 0.122 nan 8.380 nan 0.000 0.497 18 I N 0.548 121.139 120.570 0.034 0.000 2.497 18 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 18 I C -0.478 175.795 176.117 0.259 0.000 1.060 18 I CA -0.787 60.597 61.300 0.140 0.000 1.071 18 I CB 1.796 39.798 38.000 0.003 0.000 1.216 18 I HN -0.055 nan 8.210 nan 0.000 0.442 19 R N 6.580 127.247 120.500 0.278 0.000 2.390 19 R HA 0.716 5.055 4.340 -0.000 0.000 0.291 19 R C -1.473 174.927 176.300 0.166 0.000 1.070 19 R CA -0.328 55.874 56.100 0.170 0.000 1.014 19 R CB 0.885 31.207 30.300 0.036 0.000 1.007 19 R HN 0.625 nan 8.270 nan 0.000 0.466 20 L N 4.297 125.618 121.223 0.164 0.000 2.404 20 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 20 L C -0.790 176.252 176.870 0.287 0.000 0.980 20 L CA -0.464 54.512 54.840 0.227 0.000 0.836 20 L CB 1.847 44.044 42.059 0.230 0.000 1.238 20 L HN 0.724 nan 8.230 nan 0.000 0.408 21 E N 4.403 124.803 120.200 0.332 0.000 2.292 21 E HA 0.620 4.970 4.350 -0.000 0.000 0.272 21 E C -1.425 175.351 176.600 0.294 0.000 0.881 21 E CA -1.002 55.610 56.400 0.354 0.000 0.754 21 E CB 2.729 32.578 29.700 0.249 0.000 1.201 21 E HN 0.517 nan 8.360 nan 0.000 0.425 22 R N 2.620 123.219 120.500 0.164 0.000 2.561 22 R HA 0.310 4.650 4.340 -0.000 0.000 0.297 22 R C -1.829 174.476 176.300 0.008 0.000 0.969 22 R CA -0.562 55.523 56.100 -0.025 0.000 0.879 22 R CB 1.495 31.508 30.300 -0.478 0.000 1.178 22 R HN 0.618 nan 8.270 nan 0.000 0.445 23 D N 2.994 123.467 120.400 0.121 0.000 2.575 23 D HA 0.248 4.887 4.640 -0.000 0.000 0.250 23 D C 0.153 176.518 176.300 0.109 0.000 1.279 23 D CA 0.420 54.480 54.000 0.101 0.000 0.925 23 D CB 1.484 42.359 40.800 0.125 0.000 1.261 23 D HN 0.786 nan 8.370 nan 0.000 0.567 24 G N 2.648 111.466 108.800 0.030 0.000 2.305 24 G HA2 -0.023 3.936 3.960 -0.000 0.000 0.287 24 G HA3 -0.023 3.936 3.960 -0.000 0.000 0.287 24 G C 1.143 176.059 174.900 0.028 0.000 1.036 24 G CA 0.935 46.052 45.100 0.028 0.000 0.887 24 G HN 1.674 nan 8.290 nan 0.000 0.505 25 G N -3.108 105.687 108.800 -0.007 0.000 2.234 25 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.260 25 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.260 25 G C 0.534 175.436 174.900 0.003 0.000 0.987 25 G CA 0.553 45.642 45.100 -0.018 0.000 0.625 25 G HN 1.700 nan 8.290 nan 0.000 0.532 26 V N 1.737 121.685 119.914 0.057 0.000 2.408 26 V HA 0.569 4.688 4.120 -0.000 0.000 0.267 26 V C 0.462 176.568 176.094 0.020 0.000 1.047 26 V CA -0.345 61.976 62.300 0.035 0.000 0.937 26 V CB 1.442 33.322 31.823 0.095 0.000 0.999 26 V HN 0.441 nan 8.190 nan 0.000 0.472 27 L N 6.896 128.108 121.223 -0.018 0.000 2.257 27 L HA 0.539 4.879 4.340 -0.000 0.000 0.290 27 L C -0.568 176.298 176.870 -0.007 0.000 1.044 27 L CA -0.176 54.690 54.840 0.043 0.000 0.810 27 L CB 1.209 43.333 42.059 0.110 0.000 1.193 27 L HN 0.624 nan 8.230 nan 0.000 0.425 28 L N 6.719 127.963 121.223 0.035 0.000 2.257 28 L HA 0.520 4.860 4.340 -0.000 0.000 0.290 28 L C -0.922 176.017 176.870 0.115 0.000 1.044 28 L CA -0.006 54.836 54.840 0.002 0.000 0.810 28 L CB 1.314 43.421 42.059 0.081 0.000 1.193 28 L HN 0.401 nan 8.230 nan 0.000 0.425 29 V N 4.551 124.526 119.914 0.102 0.000 2.328 29 V HA 0.466 4.586 4.120 -0.000 0.000 0.278 29 V C 0.011 176.177 176.094 0.120 0.000 1.021 29 V CA -0.381 62.002 62.300 0.138 0.000 0.838 29 V CB 1.296 33.217 31.823 0.164 0.000 0.999 29 V HN 0.837 nan 8.190 nan 0.000 0.447 30 T N 4.653 119.279 114.554 0.119 0.000 2.791 30 T HA 0.471 4.821 4.350 -0.000 0.000 0.288 30 T C -0.139 174.636 174.700 0.124 0.000 0.999 30 T CA -0.428 61.731 62.100 0.099 0.000 0.952 30 T CB 1.457 70.377 68.868 0.086 0.000 0.938 30 T HN 0.606 nan 8.240 nan 0.000 0.444 31 V N 2.523 122.455 119.914 0.030 0.000 2.607 31 V HA 0.808 4.928 4.120 -0.000 0.000 0.289 31 V C -0.278 175.852 176.094 0.061 0.000 1.053 31 V CA -0.513 61.787 62.300 0.001 0.000 0.996 31 V CB 0.853 32.594 31.823 -0.137 0.000 0.995 31 V HN 1.093 nan 8.190 nan 0.000 0.476 32 H N 0.779 119.816 119.070 -0.054 0.000 3.005 32 H HA 0.423 4.979 4.556 -0.000 0.000 0.311 32 H C -1.662 173.654 175.328 -0.020 0.000 1.366 32 H CA -0.459 55.569 56.048 -0.033 0.000 1.210 32 H CB 1.469 31.222 29.762 -0.015 0.000 1.894 32 H HN 0.583 nan 8.280 nan 0.000 0.520 33 T N 2.715 117.227 114.554 -0.070 0.000 2.864 33 T HA 0.193 4.543 4.350 -0.000 0.000 0.310 33 T C -0.182 174.549 174.700 0.051 0.000 1.040 33 T CA -0.527 61.510 62.100 -0.106 0.000 0.977 33 T CB 0.363 69.198 68.868 -0.055 0.000 0.976 33 T HN 0.631 nan 8.240 nan 0.000 0.459 34 E N 2.072 122.329 120.200 0.094 0.000 2.228 34 E HA -0.279 4.071 4.350 -0.000 0.000 0.213 34 E C 1.144 177.864 176.600 0.199 0.000 1.282 34 E CA 0.619 57.117 56.400 0.162 0.000 0.707 34 E CB -1.448 28.289 29.700 0.061 0.000 1.150 34 E HN 1.246 nan 8.360 nan 0.000 0.362 35 G N -0.043 108.975 108.800 0.364 0.000 2.196 35 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 35 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 35 G C 0.328 175.283 174.900 0.091 0.000 0.975 35 G CA 1.360 46.523 45.100 0.106 0.000 0.648 35 G HN 0.368 nan 8.290 nan 0.000 0.538 36 K N 0.135 120.604 120.400 0.115 0.000 2.245 36 K HA 0.614 4.933 4.320 -0.000 0.000 0.234 36 K C 0.589 177.236 176.600 0.078 0.000 1.021 36 K CA -0.476 55.855 56.287 0.073 0.000 0.898 36 K CB 0.910 33.441 32.500 0.052 0.000 1.163 36 K HN 0.090 nan 8.250 nan 0.000 0.459 37 S N 1.317 117.048 115.700 0.052 0.000 2.558 37 S HA -0.064 4.406 4.470 -0.000 0.000 0.293 37 S C -0.022 174.595 174.600 0.029 0.000 1.292 37 S CA -0.343 57.879 58.200 0.037 0.000 1.063 37 S CB 0.027 63.249 63.200 0.036 0.000 0.831 37 S HN 0.338 nan 8.310 nan 0.000 0.499 38 L N 5.098 126.323 121.223 0.003 0.000 2.578 38 L HA 0.101 4.441 4.340 -0.000 0.000 0.279 38 L C -0.541 176.365 176.870 0.059 0.000 1.227 38 L CA 0.640 55.485 54.840 0.009 0.000 0.900 38 L CB 0.146 42.203 42.059 -0.004 0.000 1.144 38 L HN 0.426 nan 8.230 nan 0.000 0.496 39 V N 6.357 126.302 119.914 0.052 0.000 2.370 39 V HA 0.146 4.266 4.120 -0.000 0.000 0.279 39 V C -0.135 176.039 176.094 0.134 0.000 1.029 39 V CA -0.773 61.578 62.300 0.084 0.000 0.870 39 V CB 1.211 33.053 31.823 0.032 0.000 0.984 39 V HN 0.805 nan 8.190 nan 0.000 0.451 40 W N 6.010 127.303 121.300 -0.013 0.000 2.368 40 W HA 0.385 5.044 4.660 -0.000 0.000 0.316 40 W C 0.104 176.649 176.519 0.044 0.000 1.375 40 W CA 0.108 57.470 57.345 0.027 0.000 1.261 40 W CB 1.123 30.606 29.460 0.038 0.000 1.298 40 W HN 0.773 nan 8.180 nan 0.000 0.539 41 T N 0.834 115.077 114.554 -0.518 0.000 2.865 41 T HA 0.140 4.490 4.350 -0.000 0.000 0.294 41 T C 0.679 174.778 174.700 -1.000 0.000 1.119 41 T CA -0.477 61.249 62.100 -0.623 0.000 1.007 41 T CB 1.585 70.182 68.868 -0.453 0.000 1.225 41 T HN 0.288 nan 8.240 nan 0.000 0.515 42 S N 0.015 114.819 115.700 -1.493 0.000 2.374 42 S HA -0.145 4.325 4.470 -0.000 0.000 0.227 42 S C 1.944 176.251 174.600 -0.489 0.000 1.037 42 S CA 2.472 60.013 58.200 -1.099 0.000 1.024 42 S CB -1.255 61.362 63.200 -0.973 0.000 0.861 42 S HN 0.809 nan 8.310 nan 0.000 0.456 43 T N 1.851 116.149 114.554 -0.427 0.000 2.684 43 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 43 T C 2.041 176.593 174.700 -0.247 0.000 1.036 43 T CA 1.449 63.393 62.100 -0.260 0.000 1.148 43 T CB -0.693 68.041 68.868 -0.222 0.000 0.863 43 T HN 0.542 nan 8.240 nan 0.000 0.436 44 A N 1.298 123.892 122.820 -0.377 0.000 1.898 44 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 44 A C 2.139 179.465 177.584 -0.429 0.000 1.181 44 A CA 1.665 53.468 52.037 -0.389 0.000 0.620 44 A CB -0.944 17.785 19.000 -0.452 0.000 0.819 44 A HN 0.654 nan 8.150 nan 0.000 0.442 45 H N 0.391 119.015 119.070 -0.743 0.000 2.289 45 H HA -0.175 4.380 4.556 -0.000 0.000 0.296 45 H C 1.310 176.571 175.328 -0.112 0.000 1.091 45 H CA 2.251 58.052 56.048 -0.412 0.000 1.274 45 H CB -0.194 29.422 29.762 -0.244 0.000 1.364 45 H HN 0.387 nan 8.280 nan 0.000 0.490 46 D N 0.368 120.845 120.400 0.128 0.000 2.149 46 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 46 D C 2.305 178.714 176.300 0.181 0.000 0.972 46 D CA 0.669 54.796 54.000 0.211 0.000 0.835 46 D CB -0.271 40.678 40.800 0.249 0.000 0.966 46 D HN 0.567 nan 8.370 nan 0.000 0.476 47 E N 0.233 120.458 120.200 0.043 0.000 2.085 47 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 47 E C 2.284 178.712 176.600 -0.288 0.000 0.994 47 E CA 0.532 56.936 56.400 0.006 0.000 0.801 47 E CB -0.112 29.583 29.700 -0.009 0.000 0.743 47 E HN 0.268 nan 8.360 nan 0.000 0.453 48 L N 0.471 121.483 121.223 -0.352 0.000 2.083 48 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 48 L C 2.552 179.012 176.870 -0.684 0.000 1.083 48 L CA 0.979 55.417 54.840 -0.669 0.000 0.752 48 L CB -0.404 41.345 42.059 -0.516 0.000 0.899 48 L HN 0.132 nan 8.230 nan 0.000 0.433 49 A N -0.597 122.043 122.820 -0.300 0.000 1.883 49 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 49 A C 2.060 179.532 177.584 -0.187 0.000 1.186 49 A CA 1.706 53.634 52.037 -0.181 0.000 0.624 49 A CB -0.970 17.918 19.000 -0.188 0.000 0.822 49 A HN 0.379 nan 8.150 nan 0.000 0.444 50 Y N -1.178 119.074 120.300 -0.080 0.000 2.200 50 Y HA -0.242 4.308 4.550 -0.000 0.000 0.290 50 Y C 2.958 178.833 175.900 -0.042 0.000 1.137 50 Y CA 1.261 59.382 58.100 0.034 0.000 1.163 50 Y CB -0.741 37.831 38.460 0.187 0.000 0.988 50 Y HN 0.491 nan 8.280 nan 0.000 0.518 51 C N -0.287 118.825 119.300 -0.314 0.000 2.429 51 C HA -0.198 4.262 4.460 -0.000 0.000 0.277 51 C C 2.615 177.505 174.990 -0.167 0.000 1.262 51 C CA 0.752 59.453 59.018 -0.529 0.000 1.733 51 C CB -1.583 25.551 27.740 -1.009 0.000 2.010 51 C HN 0.495 nan 8.230 nan 0.000 0.483 52 F N 0.364 120.242 119.950 -0.120 0.000 2.216 52 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 52 F C 2.488 178.250 175.800 -0.063 0.000 1.085 52 F CA 1.737 59.690 58.000 -0.078 0.000 1.326 52 F CB -1.557 37.408 39.000 -0.058 0.000 1.027 52 F HN 0.494 nan 8.300 nan 0.000 0.497 53 H N 0.394 119.498 119.070 0.056 0.000 2.321 53 H HA -0.148 4.407 4.556 -0.000 0.000 0.300 53 H C 1.527 176.830 175.328 -0.042 0.000 1.087 53 H CA 1.933 57.983 56.048 0.002 0.000 1.319 53 H CB -0.087 29.665 29.762 -0.016 0.000 1.379 53 H HN 0.111 nan 8.280 nan 0.000 0.501 54 D N 0.675 120.988 120.400 -0.144 0.000 2.123 54 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 54 D C 2.511 178.504 176.300 -0.511 0.000 0.992 54 D CA 1.030 54.773 54.000 -0.427 0.000 0.833 54 D CB -0.256 40.138 40.800 -0.675 0.000 0.954 54 D HN 0.470 nan 8.370 nan 0.000 0.455 55 I N 1.262 121.650 120.570 -0.304 0.000 2.179 55 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 55 I C 2.523 178.610 176.117 -0.051 0.000 1.088 55 I CA 1.095 62.346 61.300 -0.082 0.000 1.357 55 I CB -0.242 37.806 38.000 0.081 0.000 1.051 55 I HN -0.080 nan 8.210 nan 0.000 0.409 56 A N -0.409 122.362 122.820 -0.081 0.000 1.940 56 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 56 A C 2.262 179.789 177.584 -0.096 0.000 1.176 56 A CA 1.833 53.824 52.037 -0.077 0.000 0.631 56 A CB -1.100 17.853 19.000 -0.078 0.000 0.814 56 A HN 0.582 nan 8.150 nan 0.000 0.446 57 C N -0.199 118.996 119.300 -0.175 0.000 2.618 57 C HA 0.132 4.592 4.460 -0.000 0.000 0.264 57 C C 0.735 175.707 174.990 -0.031 0.000 1.334 57 C CA -0.042 58.893 59.018 -0.138 0.000 1.731 57 C CB -1.124 26.472 27.740 -0.241 0.000 1.852 57 C HN 0.588 nan 8.230 nan 0.000 0.566 58 D N 0.329 120.737 120.400 0.013 0.000 2.443 58 D HA 0.170 4.810 4.640 -0.000 0.000 0.221 58 D C 1.151 177.504 176.300 0.087 0.000 1.097 58 D CA -0.209 53.861 54.000 0.117 0.000 0.865 58 D CB 0.389 41.367 40.800 0.297 0.000 1.034 58 D HN 0.226 nan 8.370 nan 0.000 0.511 59 R N 2.147 122.684 120.500 0.061 0.000 2.293 59 R HA -0.060 4.280 4.340 -0.000 0.000 0.219 59 R C 0.938 177.255 176.300 0.030 0.000 1.091 59 R CA 0.841 56.962 56.100 0.035 0.000 1.004 59 R CB 0.291 30.605 30.300 0.023 0.000 0.865 59 R HN 0.563 nan 8.270 nan 0.000 0.469 60 E N 0.368 120.595 120.200 0.045 0.000 2.481 60 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 60 E C -0.215 176.386 176.600 0.002 0.000 1.047 60 E CA -0.022 56.386 56.400 0.013 0.000 0.867 60 E CB 0.125 29.823 29.700 -0.003 0.000 0.858 60 E HN 0.236 nan 8.360 nan 0.000 0.513 61 N N 1.673 120.396 118.700 0.040 0.000 2.420 61 N HA 0.028 4.768 4.740 -0.000 0.000 0.262 61 N C 0.459 175.975 175.510 0.011 0.000 1.144 61 N CA 0.319 53.390 53.050 0.035 0.000 0.952 61 N CB 1.160 39.699 38.487 0.087 0.000 1.081 61 N HN 0.095 nan 8.380 nan 0.000 0.480 62 K N 0.528 120.926 120.400 -0.002 0.000 2.242 62 K HA 0.140 4.460 4.320 -0.000 0.000 0.200 62 K C 0.358 176.950 176.600 -0.013 0.000 1.050 62 K CA 0.409 56.690 56.287 -0.010 0.000 0.981 62 K CB 0.720 33.215 32.500 -0.009 0.000 0.795 62 K HN 0.319 nan 8.250 nan 0.000 0.477 63 V N 0.390 120.295 119.914 -0.015 0.000 3.147 63 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 63 V C -1.956 174.115 176.094 -0.039 0.000 1.302 63 V CA -0.880 61.402 62.300 -0.030 0.000 1.015 63 V CB 2.283 34.084 31.823 -0.037 0.000 1.086 63 V HN -0.221 nan 8.190 nan 0.000 0.437 64 V N 6.405 126.292 119.914 -0.044 0.000 2.555 64 V HA 0.608 4.728 4.120 -0.000 0.000 0.302 64 V C -0.260 175.788 176.094 -0.076 0.000 1.038 64 V CA -0.465 61.814 62.300 -0.036 0.000 0.887 64 V CB 1.726 33.552 31.823 0.005 0.000 0.991 64 V HN 0.728 nan 8.190 nan 0.000 0.434 65 I N 5.345 125.847 120.570 -0.113 0.000 2.378 65 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 65 I C -0.710 175.398 176.117 -0.016 0.000 0.992 65 I CA -0.380 60.844 61.300 -0.128 0.000 1.154 65 I CB 1.594 39.402 38.000 -0.320 0.000 1.315 65 I HN 0.339 nan 8.210 nan 0.000 0.448 66 L N 6.002 127.259 121.223 0.057 0.000 2.296 66 L HA 0.665 5.005 4.340 -0.000 0.000 0.286 66 L C 0.018 177.035 176.870 0.244 0.000 1.023 66 L CA -0.129 54.813 54.840 0.170 0.000 0.812 66 L CB 1.774 43.973 42.059 0.234 0.000 1.223 66 L HN 0.578 nan 8.230 nan 0.000 0.421 67 T N 1.208 115.916 114.554 0.255 0.000 2.762 67 T HA 0.730 5.079 4.350 -0.000 0.000 0.301 67 T C -0.355 174.411 174.700 0.109 0.000 1.299 67 T CA -0.036 62.254 62.100 0.317 0.000 1.005 67 T CB 1.910 70.885 68.868 0.179 0.000 1.377 67 T HN 0.700 nan 8.240 nan 0.000 0.504 68 G N -0.149 108.694 108.800 0.071 0.000 3.107 68 G HA2 0.681 4.641 3.960 -0.000 0.000 0.232 68 G HA3 0.681 4.641 3.960 -0.000 0.000 0.232 68 G C -0.868 174.044 174.900 0.020 0.000 1.339 68 G CA -0.340 44.680 45.100 -0.133 0.000 1.033 68 G HN 0.795 nan 8.290 nan 0.000 0.567 69 T N -2.222 112.341 114.554 0.014 0.000 2.883 69 T HA 0.632 4.982 4.350 -0.000 0.000 0.301 69 T C 0.312 175.039 174.700 0.046 0.000 1.158 69 T CA 1.404 63.530 62.100 0.045 0.000 1.007 69 T CB 0.931 69.824 68.868 0.042 0.000 1.186 69 T HN 2.392 nan 8.240 nan 0.000 0.499 70 G N 3.737 112.566 108.800 0.047 0.000 2.645 70 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.239 70 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.239 70 G C -1.951 172.978 174.900 0.048 0.000 1.331 70 G CA -0.035 45.091 45.100 0.044 0.000 0.890 70 G HN 0.668 nan 8.290 nan 0.000 0.572 71 P HA 0.175 nan 4.420 nan 0.000 0.225 71 P C 0.713 178.041 177.300 0.046 0.000 1.156 71 P CA 1.354 64.478 63.100 0.040 0.000 0.787 71 P CB 0.168 31.887 31.700 0.031 0.000 0.802 72 S N -1.214 114.518 115.700 0.055 0.000 2.536 72 S HA 0.360 4.830 4.470 -0.000 0.000 0.298 72 S C 0.155 174.821 174.600 0.110 0.000 1.083 72 S CA -0.559 57.684 58.200 0.071 0.000 0.995 72 S CB 1.271 64.504 63.200 0.056 0.000 1.058 72 S HN -0.066 nan 8.310 nan 0.000 0.488 73 F N 1.655 121.599 119.950 -0.009 0.000 2.074 73 F HA 0.183 4.710 4.527 -0.000 0.000 0.293 73 F C 0.945 176.769 175.800 0.040 0.000 1.116 73 F CA 0.836 58.844 58.000 0.014 0.000 1.212 73 F CB 0.273 39.261 39.000 -0.019 0.000 0.998 73 F HN 0.577 nan 8.300 nan 0.000 0.471 74 C N 2.572 121.998 119.300 0.209 0.000 3.080 74 C HA 0.309 4.769 4.460 -0.000 0.000 0.388 74 C C -0.661 174.388 174.990 0.097 0.000 1.079 74 C CA -0.381 58.704 59.018 0.112 0.000 1.289 74 C CB -0.422 27.386 27.740 0.113 0.000 1.702 74 C HN 0.624 nan 8.230 nan 0.000 0.516 75 N N 3.135 121.877 118.700 0.069 0.000 2.451 75 N HA 0.258 4.998 4.740 -0.000 0.000 0.271 75 N C -0.542 174.995 175.510 0.044 0.000 1.410 75 N CA -0.020 53.056 53.050 0.043 0.000 0.884 75 N CB 0.420 38.926 38.487 0.031 0.000 1.332 75 N HN 0.842 nan 8.380 nan 0.000 0.498 76 E N 0.509 120.747 120.200 0.063 0.000 2.340 76 E HA 0.478 4.828 4.350 -0.000 0.000 0.273 76 E C -1.512 175.150 176.600 0.102 0.000 0.891 76 E CA -0.751 55.690 56.400 0.068 0.000 0.757 76 E CB 2.883 32.620 29.700 0.062 0.000 1.231 76 E HN 0.246 nan 8.360 nan 0.000 0.439 77 I N 1.494 122.114 120.570 0.083 0.000 2.647 77 I HA 0.289 4.458 4.170 -0.000 0.000 0.295 77 I C -1.547 174.610 176.117 0.067 0.000 1.078 77 I CA -0.579 60.773 61.300 0.086 0.000 1.048 77 I CB 1.827 39.781 38.000 -0.076 0.000 1.239 77 I HN 0.378 nan 8.210 nan 0.000 0.421 78 D N 5.925 126.369 120.400 0.074 0.000 2.485 78 D HA 0.210 4.850 4.640 -0.000 0.000 0.229 78 D C 0.520 176.919 176.300 0.164 0.000 1.101 78 D CA -0.106 53.945 54.000 0.085 0.000 0.906 78 D CB 0.304 41.113 40.800 0.015 0.000 1.019 78 D HN 0.446 nan 8.370 nan 0.000 0.516 79 F N 0.974 121.045 119.950 0.201 0.000 2.250 79 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 79 F C 2.646 178.570 175.800 0.206 0.000 1.077 79 F CA 1.560 59.706 58.000 0.243 0.000 1.348 79 F CB 0.111 39.184 39.000 0.122 0.000 1.040 79 F HN 0.407 nan 8.300 nan 0.000 0.509 80 T N -3.215 111.501 114.554 0.271 0.000 3.035 80 T HA -0.132 4.217 4.350 -0.000 0.000 0.268 80 T C 1.976 176.706 174.700 0.050 0.000 1.109 80 T CA 0.952 63.136 62.100 0.141 0.000 1.119 80 T CB -0.666 68.248 68.868 0.077 0.000 0.900 80 T HN 0.292 nan 8.240 nan 0.000 0.503 81 S N 0.020 115.702 115.700 -0.030 0.000 2.515 81 S HA 0.189 4.658 4.470 -0.000 0.000 0.231 81 S C 0.153 174.521 174.600 -0.387 0.000 0.987 81 S CA -0.445 57.600 58.200 -0.257 0.000 0.936 81 S CB -0.795 62.149 63.200 -0.426 0.000 0.766 81 S HN 0.507 nan 8.310 nan 0.000 0.528 82 F N 2.100 122.008 119.950 -0.069 0.000 2.458 82 F HA 0.512 5.039 4.527 -0.000 0.000 0.330 82 F C 0.211 175.950 175.800 -0.101 0.000 1.082 82 F CA -1.304 56.627 58.000 -0.115 0.000 0.995 82 F CB 0.936 39.868 39.000 -0.114 0.000 1.170 82 F HN -0.050 nan 8.300 nan 0.000 0.478 83 N N 3.941 122.655 118.700 0.024 0.000 2.485 83 N HA 0.325 5.065 4.740 -0.000 0.000 0.243 83 N C -0.150 175.252 175.510 -0.180 0.000 0.987 83 N CA -0.153 52.868 53.050 -0.048 0.000 0.940 83 N CB 1.369 39.824 38.487 -0.055 0.000 1.122 83 N HN 0.615 nan 8.380 nan 0.000 0.509 84 L N 0.322 121.468 121.223 -0.127 0.000 3.014 84 L HA 0.328 4.668 4.340 -0.000 0.000 0.263 84 L C 1.697 178.664 176.870 0.162 0.000 1.207 84 L CA -0.068 54.665 54.840 -0.178 0.000 1.017 84 L CB 0.597 42.668 42.059 0.019 0.000 1.360 84 L HN 0.507 nan 8.230 nan 0.000 0.560 85 G N 0.047 108.894 108.800 0.079 0.000 2.595 85 G HA2 0.022 3.982 3.960 -0.000 0.000 0.213 85 G HA3 0.022 3.982 3.960 -0.000 0.000 0.213 85 G C 0.688 175.654 174.900 0.110 0.000 1.141 85 G CA 0.827 45.991 45.100 0.106 0.000 0.806 85 G HN 0.337 nan 8.290 nan 0.000 0.530 86 T N -3.517 111.077 114.554 0.066 0.000 2.901 86 T HA 0.567 4.917 4.350 -0.000 0.000 0.293 86 T C -2.343 172.392 174.700 0.058 0.000 1.084 86 T CA -1.586 60.497 62.100 -0.029 0.000 1.008 86 T CB 2.657 71.339 68.868 -0.309 0.000 1.170 86 T HN -0.199 nan 8.240 nan 0.000 0.509 87 P HA -0.171 nan 4.420 nan 0.000 0.215 87 P C 1.588 178.964 177.300 0.126 0.000 1.153 87 P CA 1.489 64.657 63.100 0.113 0.000 0.853 87 P CB -0.269 31.478 31.700 0.078 0.000 0.788 88 H N -1.432 117.716 119.070 0.131 0.000 2.389 88 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 88 H C 1.077 176.466 175.328 0.102 0.000 1.081 88 H CA 1.038 57.146 56.048 0.099 0.000 1.345 88 H CB -0.962 28.835 29.762 0.058 0.000 1.393 88 H HN 0.085 nan 8.280 nan 0.000 0.520 89 D N 0.934 121.267 120.400 -0.111 0.000 2.117 89 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 89 D C 1.885 178.177 176.300 -0.013 0.000 0.982 89 D CA 0.791 54.766 54.000 -0.042 0.000 0.828 89 D CB -0.619 40.096 40.800 -0.142 0.000 0.967 89 D HN 0.460 nan 8.370 nan 0.000 0.464 90 W N 1.248 122.554 121.300 0.009 0.000 2.374 90 W HA -0.128 4.531 4.660 -0.000 0.000 0.288 90 W C 2.077 178.649 176.519 0.088 0.000 1.218 90 W CA 0.777 58.152 57.345 0.050 0.000 1.245 90 W CB -0.133 29.344 29.460 0.030 0.000 1.126 90 W HN -0.018 nan 8.180 nan 0.000 0.545 91 D N 0.146 120.726 120.400 0.300 0.000 2.144 91 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 91 D C 1.692 178.139 176.300 0.245 0.000 0.978 91 D CA 1.494 55.648 54.000 0.257 0.000 0.833 91 D CB -0.036 40.884 40.800 0.200 0.000 0.961 91 D HN 0.177 nan 8.370 nan 0.000 0.470 92 E N -0.391 119.918 120.200 0.182 0.000 2.110 92 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 92 E C 2.268 178.996 176.600 0.213 0.000 0.988 92 E CA 0.716 57.218 56.400 0.170 0.000 0.804 92 E CB -0.001 29.759 29.700 0.100 0.000 0.745 92 E HN 0.434 nan 8.360 nan 0.000 0.458 93 I N 0.754 121.413 120.570 0.148 0.000 2.252 93 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 93 I C 2.299 178.583 176.117 0.279 0.000 1.102 93 I CA 0.878 62.252 61.300 0.124 0.000 1.385 93 I CB -0.150 37.790 38.000 -0.100 0.000 1.064 93 I HN 0.097 nan 8.210 nan 0.000 0.414 94 I N 0.084 120.854 120.570 0.333 0.000 2.163 94 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 94 I C 2.515 178.793 176.117 0.268 0.000 1.085 94 I CA 1.691 63.181 61.300 0.316 0.000 1.347 94 I CB -0.384 37.797 38.000 0.302 0.000 1.044 94 I HN 0.140 nan 8.210 nan 0.000 0.408 95 F N 1.816 121.861 119.950 0.159 0.000 2.102 95 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 95 F C 2.582 178.452 175.800 0.117 0.000 1.105 95 F CA 1.725 59.795 58.000 0.118 0.000 1.239 95 F CB -0.093 38.965 39.000 0.097 0.000 0.991 95 F HN -0.002 nan 8.300 nan 0.000 0.474 96 E N -0.038 120.355 120.200 0.321 0.000 2.158 96 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 96 E C 2.484 179.207 176.600 0.206 0.000 0.982 96 E CA 0.916 57.461 56.400 0.242 0.000 0.823 96 E CB -0.985 28.939 29.700 0.374 0.000 0.766 96 E HN 0.524 nan 8.360 nan 0.000 0.468 97 G N 1.228 110.226 108.800 0.330 0.000 2.422 97 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 97 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 97 G C 1.554 176.526 174.900 0.121 0.000 1.146 97 G CA 0.524 45.804 45.100 0.300 0.000 0.769 97 G HN 0.251 nan 8.290 nan 0.000 0.547 98 Q N -0.162 119.664 119.800 0.042 0.000 2.061 98 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 98 Q C 2.827 178.758 176.000 -0.114 0.000 0.984 98 Q CA 1.173 56.942 55.803 -0.057 0.000 0.846 98 Q CB -0.163 28.488 28.738 -0.145 0.000 0.902 98 Q HN 0.373 nan 8.270 nan 0.000 0.421 99 R N 0.099 120.483 120.500 -0.193 0.000 2.096 99 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 99 R C 2.308 178.562 176.300 -0.077 0.000 1.127 99 R CA 0.915 56.899 56.100 -0.193 0.000 0.968 99 R CB -0.402 29.736 30.300 -0.270 0.000 0.861 99 R HN 0.183 nan 8.270 nan 0.000 0.440 100 L N 1.097 122.295 121.223 -0.042 0.000 1.989 100 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 100 L C 1.908 178.848 176.870 0.117 0.000 1.071 100 L CA 1.823 56.687 54.840 0.039 0.000 0.749 100 L CB -0.416 41.608 42.059 -0.059 0.000 0.890 100 L HN 0.137 nan 8.230 nan 0.000 0.431 101 L N -0.952 120.296 121.223 0.042 0.000 2.162 101 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 101 L C 2.260 179.098 176.870 -0.052 0.000 1.086 101 L CA 0.585 55.423 54.840 -0.003 0.000 0.778 101 L CB -0.668 41.387 42.059 -0.007 0.000 0.928 101 L HN 0.326 nan 8.230 nan 0.000 0.446 102 N N 0.452 119.123 118.700 -0.048 0.000 2.188 102 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 102 N C 1.559 177.041 175.510 -0.048 0.000 1.018 102 N CA 1.088 54.101 53.050 -0.062 0.000 0.858 102 N CB -0.380 38.064 38.487 -0.071 0.000 0.989 102 N HN 0.302 nan 8.380 nan 0.000 0.426 103 N N 1.136 119.829 118.700 -0.012 0.000 2.188 103 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 103 N C 1.776 177.265 175.510 -0.035 0.000 1.018 103 N CA 0.296 53.369 53.050 0.038 0.000 0.858 103 N CB -0.546 38.015 38.487 0.123 0.000 0.989 103 N HN 0.164 nan 8.380 nan 0.000 0.426 104 L N 1.073 122.207 121.223 -0.149 0.000 2.012 104 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 104 L C 1.829 178.523 176.870 -0.294 0.000 1.073 104 L CA 1.448 55.992 54.840 -0.492 0.000 0.748 104 L CB -0.710 40.973 42.059 -0.627 0.000 0.891 104 L HN 0.129 nan 8.230 nan 0.000 0.431 105 L N -0.562 120.547 121.223 -0.190 0.000 2.362 105 L HA -0.108 4.231 4.340 -0.000 0.000 0.219 105 L C 2.388 179.196 176.870 -0.103 0.000 1.134 105 L CA 1.069 55.822 54.840 -0.145 0.000 0.807 105 L CB -0.544 41.439 42.059 -0.126 0.000 0.927 105 L HN 0.532 nan 8.230 nan 0.000 0.447 106 S N -0.730 114.920 115.700 -0.083 0.000 2.562 106 S HA 0.083 4.553 4.470 -0.000 0.000 0.221 106 S C 0.861 175.431 174.600 -0.050 0.000 0.975 106 S CA -0.325 57.846 58.200 -0.049 0.000 0.918 106 S CB -0.420 62.770 63.200 -0.016 0.000 0.772 106 S HN 0.225 nan 8.310 nan 0.000 0.531 107 I N 2.434 122.957 120.570 -0.079 0.000 2.598 107 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 107 I C 0.731 176.819 176.117 -0.048 0.000 1.140 107 I CA 0.410 61.670 61.300 -0.067 0.000 1.420 107 I CB 0.537 38.477 38.000 -0.100 0.000 1.387 107 I HN 0.329 nan 8.210 nan 0.000 0.553 108 E N 6.000 126.188 120.200 -0.020 0.000 2.511 108 E HA 0.179 4.529 4.350 -0.000 0.000 0.214 108 E C -0.746 175.857 176.600 0.006 0.000 1.062 108 E CA -0.169 56.235 56.400 0.005 0.000 1.213 108 E CB 0.577 30.300 29.700 0.038 0.000 1.214 108 E HN 0.526 nan 8.360 nan 0.000 0.441 109 V N -3.135 116.771 119.914 -0.014 0.000 3.040 109 V HA 0.608 4.728 4.120 -0.000 0.000 0.312 109 V C -2.924 173.153 176.094 -0.029 0.000 1.115 109 V CA -3.296 58.994 62.300 -0.017 0.000 0.998 109 V CB 1.806 33.620 31.823 -0.015 0.000 1.042 109 V HN -0.116 nan 8.190 nan 0.000 0.433 110 P HA 0.243 nan 4.420 nan 0.000 0.265 110 P C -0.757 176.514 177.300 -0.048 0.000 1.193 110 P CA 0.203 63.281 63.100 -0.038 0.000 0.765 110 P CB 0.670 32.352 31.700 -0.031 0.000 0.823 111 V N 5.567 125.445 119.914 -0.060 0.000 2.417 111 V HA 0.382 4.501 4.120 -0.000 0.000 0.291 111 V C 0.314 176.372 176.094 -0.060 0.000 1.024 111 V CA -0.403 61.858 62.300 -0.065 0.000 0.861 111 V CB 1.280 33.048 31.823 -0.092 0.000 0.985 111 V HN 0.384 nan 8.190 nan 0.000 0.436 112 I N 3.912 124.448 120.570 -0.056 0.000 2.404 112 I HA 0.705 4.875 4.170 -0.000 0.000 0.293 112 I C 0.435 176.534 176.117 -0.031 0.000 0.992 112 I CA -0.445 60.824 61.300 -0.051 0.000 1.149 112 I CB 1.827 39.786 38.000 -0.067 0.000 1.315 112 I HN 0.684 nan 8.210 nan 0.000 0.446 113 A N 5.099 127.907 122.820 -0.020 0.000 2.301 113 A HA 0.852 5.172 4.320 -0.000 0.000 0.312 113 A C -0.223 177.370 177.584 0.015 0.000 1.182 113 A CA -0.498 51.544 52.037 0.008 0.000 0.826 113 A CB 0.995 19.980 19.000 -0.024 0.000 1.134 113 A HN 0.799 nan 8.150 nan 0.000 0.501 114 A N 2.645 125.500 122.820 0.059 0.000 2.431 114 A HA 0.560 4.880 4.320 -0.000 0.000 0.318 114 A C -0.655 176.996 177.584 0.111 0.000 1.330 114 A CA -0.352 51.727 52.037 0.069 0.000 0.804 114 A CB 0.340 19.377 19.000 0.063 0.000 1.135 114 A HN 0.899 nan 8.150 nan 0.000 0.483 115 V N 4.705 124.641 119.914 0.036 0.000 2.353 115 V HA 0.080 4.200 4.120 -0.000 0.000 0.264 115 V C 1.125 177.250 176.094 0.052 0.000 1.049 115 V CA -0.239 62.035 62.300 -0.044 0.000 0.896 115 V CB 0.281 31.979 31.823 -0.209 0.000 1.025 115 V HN 0.964 nan 8.190 nan 0.000 0.475 116 N N 3.962 122.765 118.700 0.171 0.000 2.467 116 N HA 0.139 4.879 4.740 -0.000 0.000 0.184 116 N C 0.509 176.068 175.510 0.082 0.000 1.106 116 N CA 0.835 53.962 53.050 0.127 0.000 0.892 116 N CB 1.324 39.902 38.487 0.153 0.000 0.969 116 N HN 0.677 nan 8.380 nan 0.000 0.454 117 G N -0.181 108.656 108.800 0.061 0.000 2.341 117 G HA2 0.292 4.252 3.960 -0.000 0.000 0.299 117 G HA3 0.292 4.252 3.960 -0.000 0.000 0.299 117 G C -3.306 171.564 174.900 -0.049 0.000 1.274 117 G CA -0.914 44.193 45.100 0.010 0.000 0.853 117 G HN -0.118 nan 8.290 nan 0.000 0.493 118 P HA 0.279 nan 4.420 nan 0.000 0.263 118 P C -0.426 176.850 177.300 -0.039 0.000 1.175 118 P CA 0.136 63.181 63.100 -0.091 0.000 0.761 118 P CB 1.202 32.880 31.700 -0.036 0.000 0.794 119 V N 4.000 123.840 119.914 -0.124 0.000 2.409 119 V HA 0.346 4.466 4.120 -0.000 0.000 0.290 119 V C 0.735 176.835 176.094 0.009 0.000 1.017 119 V CA 0.148 62.449 62.300 0.001 0.000 0.841 119 V CB 1.457 33.275 31.823 -0.008 0.000 1.003 119 V HN 0.725 nan 8.190 nan 0.000 0.426 120 T N 1.908 116.470 114.554 0.014 0.000 3.003 120 T HA 0.375 4.724 4.350 -0.000 0.000 0.261 120 T C 0.402 175.058 174.700 -0.074 0.000 1.003 120 T CA -0.183 61.909 62.100 -0.013 0.000 0.917 120 T CB -0.052 68.803 68.868 -0.023 0.000 1.084 120 T HN 0.520 nan 8.240 nan 0.000 0.522 121 N N 1.539 120.161 118.700 -0.130 0.000 2.314 121 N HA 0.553 5.293 4.740 -0.000 0.000 0.294 121 N C 0.032 175.244 175.510 -0.497 0.000 1.029 121 N CA 0.169 52.983 53.050 -0.393 0.000 0.845 121 N CB 1.796 39.970 38.487 -0.522 0.000 1.321 121 N HN 0.401 nan 8.380 nan 0.000 0.481 122 A N 2.308 124.817 122.820 -0.517 0.000 2.704 122 A HA -0.134 4.186 4.320 -0.000 0.000 0.299 122 A C -1.185 176.413 177.584 0.024 0.000 1.507 122 A CA 0.336 52.195 52.037 -0.298 0.000 0.776 122 A CB -1.240 17.342 19.000 -0.697 0.000 1.027 122 A HN 0.612 nan 8.150 nan 0.000 0.475 123 P HA -0.166 nan 4.420 nan 0.000 0.226 123 P C 1.368 178.878 177.300 0.350 0.000 1.153 123 P CA 1.237 64.557 63.100 0.367 0.000 0.777 123 P CB 0.028 32.090 31.700 0.603 0.000 0.794 124 E N 0.867 121.231 120.200 0.273 0.000 2.204 124 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 124 E C 1.967 178.515 176.600 -0.086 0.000 0.990 124 E CA 0.788 57.137 56.400 -0.086 0.000 0.821 124 E CB -1.132 28.522 29.700 -0.077 0.000 0.750 124 E HN 0.291 nan 8.360 nan 0.000 0.477 125 I N 2.162 122.758 120.570 0.044 0.000 2.113 125 I HA -0.184 3.986 4.170 -0.000 0.000 0.238 125 I C -0.281 175.844 176.117 0.013 0.000 1.070 125 I CA 1.607 62.947 61.300 0.066 0.000 1.332 125 I CB -1.640 36.499 38.000 0.233 0.000 1.044 125 I HN 0.132 nan 8.210 nan 0.000 0.402 126 P HA -0.140 nan 4.420 nan 0.000 0.216 126 P C 1.729 178.968 177.300 -0.102 0.000 1.150 126 P CA 1.704 64.764 63.100 -0.067 0.000 0.837 126 P CB -0.356 31.186 31.700 -0.264 0.000 0.786 127 V N -4.669 115.152 119.914 -0.155 0.000 3.380 127 V HA 0.022 4.142 4.120 -0.000 0.000 0.268 127 V C 2.139 178.070 176.094 -0.273 0.000 1.168 127 V CA 1.080 63.217 62.300 -0.272 0.000 1.156 127 V CB -1.505 30.023 31.823 -0.491 0.000 0.785 127 V HN -0.072 nan 8.190 nan 0.000 0.487 128 M N 0.922 120.384 119.600 -0.231 0.000 2.619 128 M HA 0.121 4.600 4.480 -0.000 0.000 0.251 128 M C 0.986 177.189 176.300 -0.162 0.000 1.106 128 M CA 0.181 55.357 55.300 -0.207 0.000 1.086 128 M CB -0.069 32.409 32.600 -0.204 0.000 1.465 128 M HN 0.386 nan 8.290 nan 0.000 0.506 129 S N 0.825 116.443 115.700 -0.137 0.000 2.584 129 S HA -0.007 4.463 4.470 -0.000 0.000 0.270 129 S C 0.790 175.332 174.600 -0.096 0.000 1.346 129 S CA -0.545 57.590 58.200 -0.109 0.000 1.018 129 S CB 0.599 63.750 63.200 -0.082 0.000 0.899 129 S HN 0.306 nan 8.310 nan 0.000 0.542 130 D N 0.333 120.685 120.400 -0.080 0.000 2.224 130 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 130 D C 0.237 176.503 176.300 -0.056 0.000 0.965 130 D CA 1.176 55.138 54.000 -0.064 0.000 0.852 130 D CB 0.150 40.917 40.800 -0.054 0.000 0.947 130 D HN 0.357 nan 8.370 nan 0.000 0.494 131 I N 0.863 121.401 120.570 -0.054 0.000 2.499 131 I HA 0.167 4.337 4.170 -0.000 0.000 0.288 131 I C -0.959 175.131 176.117 -0.045 0.000 1.048 131 I CA -0.717 60.556 61.300 -0.044 0.000 1.062 131 I CB 3.081 41.060 38.000 -0.034 0.000 1.238 131 I HN -0.398 nan 8.210 nan 0.000 0.426 132 V N 7.169 127.057 119.914 -0.043 0.000 2.376 132 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 132 V C -0.186 175.904 176.094 -0.006 0.000 1.015 132 V CA -0.469 61.811 62.300 -0.035 0.000 0.834 132 V CB 1.505 33.288 31.823 -0.067 0.000 1.001 132 V HN 0.458 nan 8.190 nan 0.000 0.428 133 L N 4.124 125.354 121.223 0.012 0.000 2.325 133 L HA 0.960 5.300 4.340 -0.000 0.000 0.278 133 L C 0.154 177.059 176.870 0.059 0.000 1.023 133 L CA -0.579 54.279 54.840 0.031 0.000 0.811 133 L CB 1.883 43.958 42.059 0.026 0.000 1.249 133 L HN 0.689 nan 8.230 nan 0.000 0.431 134 A N 1.876 124.740 122.820 0.073 0.000 2.393 134 A HA 0.850 5.170 4.320 -0.000 0.000 0.306 134 A C -0.238 177.383 177.584 0.062 0.000 1.050 134 A CA -0.527 51.564 52.037 0.089 0.000 0.724 134 A CB 1.557 20.661 19.000 0.173 0.000 1.248 134 A HN 0.791 nan 8.150 nan 0.000 0.424 135 A N 1.129 123.977 122.820 0.047 0.000 2.466 135 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 135 A C 0.824 178.428 177.584 0.033 0.000 1.074 135 A CA 0.446 52.507 52.037 0.040 0.000 0.774 135 A CB -0.178 18.844 19.000 0.036 0.000 1.015 135 A HN 0.937 nan 8.150 nan 0.000 0.498 136 E N 0.494 120.713 120.200 0.031 0.000 2.160 136 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 136 E C 1.925 178.536 176.600 0.019 0.000 0.991 136 E CA 1.735 58.152 56.400 0.027 0.000 0.810 136 E CB -0.075 29.640 29.700 0.024 0.000 0.742 136 E HN 0.822 nan 8.360 nan 0.000 0.466 137 S N -0.082 115.625 115.700 0.012 0.000 2.593 137 S HA 0.274 4.744 4.470 -0.000 0.000 0.217 137 S C 0.847 175.430 174.600 -0.028 0.000 0.966 137 S CA -0.133 58.067 58.200 0.001 0.000 0.914 137 S CB 0.298 63.502 63.200 0.007 0.000 0.776 137 S HN 0.209 nan 8.310 nan 0.000 0.523 138 A N 2.234 125.026 122.820 -0.046 0.000 2.498 138 A HA 0.525 4.845 4.320 -0.000 0.000 0.239 138 A C 0.675 178.149 177.584 -0.183 0.000 1.068 138 A CA 0.229 52.171 52.037 -0.160 0.000 0.766 138 A CB -0.075 18.817 19.000 -0.181 0.000 1.003 138 A HN 0.692 nan 8.150 nan 0.000 0.497 139 T N -1.102 113.256 114.554 -0.327 0.000 2.883 139 T HA 0.769 5.119 4.350 -0.000 0.000 0.296 139 T C -0.831 173.600 174.700 -0.448 0.000 1.117 139 T CA -0.574 61.399 62.100 -0.213 0.000 1.006 139 T CB 1.153 69.983 68.868 -0.063 0.000 1.191 139 T HN 0.388 nan 8.240 nan 0.000 0.508 140 F N 0.489 120.469 119.950 0.049 0.000 2.547 140 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 140 F C 0.024 175.902 175.800 0.129 0.000 1.121 140 F CA -0.620 57.437 58.000 0.094 0.000 0.911 140 F CB 2.528 41.591 39.000 0.104 0.000 1.179 140 F HN 0.787 nan 8.300 nan 0.000 0.443 141 Q N 1.614 121.552 119.800 0.229 0.000 2.353 141 Q HA 0.226 4.566 4.340 -0.000 0.000 0.275 141 Q C -1.981 173.971 176.000 -0.080 0.000 1.029 141 Q CA -0.761 55.039 55.803 -0.006 0.000 0.848 141 Q CB 2.463 31.157 28.738 -0.074 0.000 1.390 141 Q HN 0.625 nan 8.270 nan 0.000 0.401 142 D N 2.310 122.483 120.400 -0.377 0.000 2.558 142 D HA 0.245 4.885 4.640 -0.000 0.000 0.221 142 D C 0.934 177.154 176.300 -0.133 0.000 1.143 142 D CA 0.549 54.445 54.000 -0.174 0.000 1.010 142 D CB 0.343 41.020 40.800 -0.206 0.000 1.068 142 D HN 0.702 nan 8.370 nan 0.000 0.511 143 G N 3.183 111.918 108.800 -0.108 0.000 2.414 143 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 143 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 143 G C -0.760 174.103 174.900 -0.061 0.000 1.188 143 G CA 0.170 45.219 45.100 -0.085 0.000 0.783 143 G HN 0.470 nan 8.290 nan 0.000 0.537 144 P HA 0.174 nan 4.420 nan 0.000 0.257 144 P C 0.027 177.319 177.300 -0.013 0.000 1.281 144 P CA 0.479 63.553 63.100 -0.043 0.000 0.826 144 P CB 0.136 31.687 31.700 -0.247 0.000 1.237 145 H N -1.770 117.394 119.070 0.156 0.000 3.372 145 H HA 0.187 4.743 4.556 -0.000 0.000 0.263 145 H C 1.225 176.658 175.328 0.175 0.000 1.418 145 H CA -0.225 55.929 56.048 0.177 0.000 1.956 145 H CB -0.729 29.132 29.762 0.165 0.000 1.572 145 H HN -0.182 nan 8.280 nan 0.000 0.571 146 F N 1.851 121.878 119.950 0.129 0.000 2.216 146 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 146 F C -1.011 174.787 175.800 -0.004 0.000 1.085 146 F CA 0.375 58.395 58.000 0.033 0.000 1.326 146 F CB -0.845 38.145 39.000 -0.017 0.000 1.027 146 F HN 0.187 nan 8.300 nan 0.000 0.497 147 P HA -0.101 nan 4.420 nan 0.000 0.220 147 P C 1.253 178.500 177.300 -0.089 0.000 1.148 147 P CA 1.537 64.597 63.100 -0.067 0.000 0.803 147 P CB -0.034 31.649 31.700 -0.030 0.000 0.782 148 S N -1.577 114.097 115.700 -0.042 0.000 2.634 148 S HA 0.340 4.810 4.470 -0.000 0.000 0.221 148 S C 1.366 175.891 174.600 -0.126 0.000 0.952 148 S CA 0.419 58.570 58.200 -0.081 0.000 0.930 148 S CB -0.623 62.547 63.200 -0.051 0.000 0.780 148 S HN 0.326 nan 8.310 nan 0.000 0.498 149 G N 1.750 110.436 108.800 -0.190 0.000 2.176 149 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 149 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 149 G C -0.079 174.785 174.900 -0.060 0.000 1.024 149 G CA -0.039 44.926 45.100 -0.225 0.000 0.755 149 G HN 0.522 nan 8.290 nan 0.000 0.507 150 I N 0.265 120.877 120.570 0.069 0.000 2.474 150 I HA 0.367 4.537 4.170 -0.000 0.000 0.294 150 I C 0.911 177.194 176.117 0.276 0.000 1.005 150 I CA -1.356 60.055 61.300 0.185 0.000 1.113 150 I CB 2.048 40.211 38.000 0.272 0.000 1.289 150 I HN -0.110 nan 8.210 nan 0.000 0.436 151 V N 7.857 127.881 119.914 0.184 0.000 2.599 151 V HA 0.042 4.162 4.120 -0.000 0.000 0.300 151 V C -1.719 174.379 176.094 0.007 0.000 1.034 151 V CA -0.751 61.618 62.300 0.115 0.000 1.115 151 V CB 0.218 32.041 31.823 0.001 0.000 0.934 151 V HN 0.614 nan 8.190 nan 0.000 0.485 152 P HA 0.154 nan 4.420 nan 0.000 0.226 152 P C 0.708 177.873 177.300 -0.225 0.000 1.783 152 P CA 0.161 63.094 63.100 -0.278 0.000 0.980 152 P CB 0.100 31.781 31.700 -0.031 0.000 1.967 153 G N 1.291 109.930 108.800 -0.268 0.000 3.337 153 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.246 153 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.246 153 G C 0.504 175.356 174.900 -0.079 0.000 1.131 153 G CA -0.197 44.699 45.100 -0.341 0.000 0.773 153 G HN 0.310 nan 8.290 nan 0.000 0.544 154 D N -0.983 119.464 120.400 0.079 0.000 2.388 154 D HA 0.265 4.905 4.640 -0.000 0.000 0.221 154 D C 1.508 177.964 176.300 0.259 0.000 1.133 154 D CA 0.160 54.289 54.000 0.215 0.000 0.831 154 D CB -0.037 40.932 40.800 0.282 0.000 0.962 154 D HN 0.346 nan 8.370 nan 0.000 0.502 155 G N -0.157 108.840 108.800 0.328 0.000 2.316 155 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.203 155 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.203 155 G C 1.348 176.289 174.900 0.069 0.000 0.999 155 G CA 0.214 45.368 45.100 0.089 0.000 0.649 155 G HN 0.638 nan 8.290 nan 0.000 0.489 156 A N 1.278 124.246 122.820 0.246 0.000 1.917 156 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 156 A C 2.029 179.822 177.584 0.347 0.000 1.182 156 A CA 2.563 54.837 52.037 0.395 0.000 0.633 156 A CB -0.995 18.256 19.000 0.420 0.000 0.819 156 A HN 1.325 nan 8.150 nan 0.000 0.448 157 H N -1.216 117.924 119.070 0.116 0.000 2.491 157 H HA 0.037 4.593 4.556 -0.000 0.000 0.290 157 H C 1.765 177.131 175.328 0.062 0.000 1.050 157 H CA 1.525 57.621 56.048 0.080 0.000 1.309 157 H CB -1.001 28.764 29.762 0.005 0.000 1.392 157 H HN 0.270 nan 8.280 nan 0.000 0.554 158 V N 0.817 120.412 119.914 -0.531 0.000 2.331 158 V HA -0.129 3.991 4.120 -0.000 0.000 0.242 158 V C 2.933 178.909 176.094 -0.197 0.000 1.034 158 V CA 1.077 63.139 62.300 -0.398 0.000 1.027 158 V CB -0.378 31.158 31.823 -0.478 0.000 0.667 158 V HN 0.239 nan 8.190 nan 0.000 0.457 159 V N -1.162 118.615 119.914 -0.229 0.000 2.323 159 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 159 V C 2.131 178.046 176.094 -0.297 0.000 1.041 159 V CA 1.949 64.053 62.300 -0.327 0.000 1.025 159 V CB -0.689 30.831 31.823 -0.505 0.000 0.656 159 V HN 0.624 nan 8.190 nan 0.000 0.451 160 W N 0.004 121.310 121.300 0.010 0.000 2.379 160 W HA -0.047 4.613 4.660 -0.000 0.000 0.307 160 W C -0.032 176.481 176.519 -0.010 0.000 1.200 160 W CA 1.151 58.490 57.345 -0.010 0.000 1.297 160 W CB -2.006 27.510 29.460 0.094 0.000 1.140 160 W HN 0.320 nan 8.180 nan 0.000 0.507 161 P HA -0.208 nan 4.420 nan 0.000 0.218 161 P C 0.993 178.325 177.300 0.053 0.000 1.149 161 P CA 1.871 65.036 63.100 0.109 0.000 0.817 161 P CB -0.104 31.650 31.700 0.090 0.000 0.785 162 H N -0.171 118.861 119.070 -0.064 0.000 2.363 162 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 162 H C 1.561 176.822 175.328 -0.111 0.000 1.074 162 H CA 1.856 57.844 56.048 -0.100 0.000 1.354 162 H CB -0.450 29.228 29.762 -0.141 0.000 1.397 162 H HN -0.061 nan 8.280 nan 0.000 0.516 163 V N -1.441 118.441 119.914 -0.052 0.000 2.599 163 V HA 0.008 4.128 4.120 -0.000 0.000 0.245 163 V C 2.023 178.063 176.094 -0.090 0.000 1.046 163 V CA 1.282 63.509 62.300 -0.122 0.000 1.065 163 V CB -0.466 31.237 31.823 -0.200 0.000 0.703 163 V HN 0.359 nan 8.190 nan 0.000 0.464 164 L N 1.213 122.423 121.223 -0.021 0.000 2.477 164 L HA 0.581 4.921 4.340 -0.000 0.000 0.220 164 L C 1.247 178.064 176.870 -0.087 0.000 1.106 164 L CA 0.733 55.561 54.840 -0.019 0.000 0.851 164 L CB -0.588 41.507 42.059 0.059 0.000 0.994 164 L HN 0.706 nan 8.230 nan 0.000 0.462 165 G N -0.401 108.355 108.800 -0.073 0.000 2.662 165 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 165 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 165 G C 0.366 175.244 174.900 -0.036 0.000 1.271 165 G CA -0.136 44.915 45.100 -0.082 0.000 0.816 165 G HN -0.024 nan 8.290 nan 0.000 0.608 166 S N -0.284 115.395 115.700 -0.035 0.000 2.353 166 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 166 S C 2.010 176.618 174.600 0.012 0.000 1.035 166 S CA 2.321 60.518 58.200 -0.006 0.000 1.025 166 S CB -0.411 62.779 63.200 -0.016 0.000 0.902 166 S HN 0.654 nan 8.310 nan 0.000 0.440 167 N N -0.194 118.496 118.700 -0.015 0.000 2.290 167 N HA 0.065 4.805 4.740 -0.000 0.000 0.179 167 N C 2.143 177.670 175.510 0.029 0.000 1.016 167 N CA 0.532 53.581 53.050 -0.002 0.000 0.871 167 N CB -0.056 38.406 38.487 -0.042 0.000 0.987 167 N HN 0.339 nan 8.380 nan 0.000 0.431 168 R N 0.705 121.185 120.500 -0.032 0.000 2.096 168 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 168 R C 2.425 178.829 176.300 0.173 0.000 1.127 168 R CA 1.271 57.373 56.100 0.004 0.000 0.968 168 R CB -0.414 29.739 30.300 -0.245 0.000 0.861 168 R HN 0.215 nan 8.270 nan 0.000 0.440 169 G N 0.845 109.729 108.800 0.141 0.000 2.421 169 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 169 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 169 G C 1.388 176.444 174.900 0.260 0.000 1.171 169 G CA 0.459 45.700 45.100 0.234 0.000 0.775 169 G HN 0.234 nan 8.290 nan 0.000 0.543 170 R N -1.057 119.548 120.500 0.174 0.000 2.075 170 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 170 R C 2.344 178.721 176.300 0.128 0.000 1.126 170 R CA 1.302 57.474 56.100 0.120 0.000 0.963 170 R CB -0.612 29.731 30.300 0.072 0.000 0.858 170 R HN 0.509 nan 8.270 nan 0.000 0.435 171 Y N 0.749 121.084 120.300 0.059 0.000 2.165 171 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 171 Y C 2.090 178.041 175.900 0.084 0.000 1.155 171 Y CA 1.635 59.769 58.100 0.056 0.000 1.164 171 Y CB -0.404 38.093 38.460 0.062 0.000 0.978 171 Y HN 0.012 nan 8.280 nan 0.000 0.513 172 F N 0.449 120.434 119.950 0.058 0.000 2.120 172 F HA -0.271 4.256 4.527 -0.000 0.000 0.300 172 F C 1.713 177.404 175.800 -0.182 0.000 1.095 172 F CA 1.967 59.918 58.000 -0.081 0.000 1.249 172 F CB -0.505 38.457 39.000 -0.064 0.000 0.995 172 F HN 0.071 nan 8.300 nan 0.000 0.480 173 L N -0.530 120.625 121.223 -0.114 0.000 2.270 173 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 173 L C 2.023 178.747 176.870 -0.243 0.000 1.104 173 L CA 0.541 55.256 54.840 -0.208 0.000 0.804 173 L CB -0.365 41.689 42.059 -0.009 0.000 0.937 173 L HN 0.208 nan 8.230 nan 0.000 0.450 174 L N -0.933 120.136 121.223 -0.257 0.000 2.529 174 L HA 0.032 4.372 4.340 -0.000 0.000 0.223 174 L C 1.808 178.607 176.870 -0.118 0.000 1.113 174 L CA 0.782 55.450 54.840 -0.288 0.000 0.861 174 L CB -0.081 41.812 42.059 -0.277 0.000 1.012 174 L HN 0.312 nan 8.230 nan 0.000 0.461 175 T N -5.006 109.383 114.554 -0.276 0.000 3.091 175 T HA 0.297 4.647 4.350 -0.000 0.000 0.277 175 T C 1.267 175.822 174.700 -0.241 0.000 0.996 175 T CA 0.332 62.258 62.100 -0.290 0.000 0.897 175 T CB 0.860 69.359 68.868 -0.615 0.000 1.109 175 T HN 0.267 nan 8.240 nan 0.000 0.534 176 G N 1.782 110.437 108.800 -0.241 0.000 2.160 176 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.251 176 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.251 176 G C -0.129 174.617 174.900 -0.257 0.000 1.008 176 G CA 0.276 45.243 45.100 -0.222 0.000 0.724 176 G HN 0.914 nan 8.290 nan 0.000 0.514 177 Q N 0.282 119.882 119.800 -0.334 0.000 2.330 177 Q HA 0.317 4.657 4.340 -0.000 0.000 0.279 177 Q C 0.147 176.077 176.000 -0.116 0.000 1.024 177 Q CA 0.277 55.983 55.803 -0.161 0.000 0.900 177 Q CB 0.343 29.082 28.738 0.000 0.000 1.221 177 Q HN 0.548 nan 8.270 nan 0.000 0.396 178 E N 5.020 125.227 120.200 0.012 0.000 2.145 178 E HA 0.277 4.627 4.350 -0.000 0.000 0.270 178 E C -1.229 175.444 176.600 0.121 0.000 0.906 178 E CA -0.529 55.911 56.400 0.067 0.000 0.761 178 E CB 0.760 30.474 29.700 0.022 0.000 1.116 178 E HN 0.610 nan 8.360 nan 0.000 0.408 179 L N 4.576 125.914 121.223 0.192 0.000 2.290 179 L HA 0.254 4.594 4.340 -0.000 0.000 0.284 179 L C 0.394 177.342 176.870 0.130 0.000 1.078 179 L CA -0.953 53.947 54.840 0.101 0.000 0.815 179 L CB 0.596 42.672 42.059 0.029 0.000 1.162 179 L HN 0.634 nan 8.230 nan 0.000 0.435 180 D N 2.425 122.857 120.400 0.054 0.000 2.414 180 D HA 0.200 4.840 4.640 -0.000 0.000 0.251 180 D C 0.973 177.328 176.300 0.093 0.000 1.252 180 D CA -0.177 53.858 54.000 0.060 0.000 0.999 180 D CB 0.944 41.758 40.800 0.023 0.000 1.093 180 D HN 0.473 nan 8.370 nan 0.000 0.515 181 A N 0.173 123.048 122.820 0.091 0.000 1.902 181 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 181 A C 2.193 179.813 177.584 0.059 0.000 1.181 181 A CA 1.413 53.525 52.037 0.124 0.000 0.623 181 A CB -0.576 18.475 19.000 0.086 0.000 0.818 181 A HN 0.577 nan 8.150 nan 0.000 0.443 182 R N -1.193 119.319 120.500 0.020 0.000 2.153 182 R HA -0.018 4.322 4.340 -0.000 0.000 0.218 182 R C 2.090 178.362 176.300 -0.047 0.000 1.072 182 R CA 1.458 57.556 56.100 -0.004 0.000 0.990 182 R CB -0.433 29.868 30.300 0.002 0.000 0.889 182 R HN 0.500 nan 8.270 nan 0.000 0.452 183 T N 0.798 115.293 114.554 -0.097 0.000 2.812 183 T HA -0.064 4.286 4.350 -0.000 0.000 0.264 183 T C 1.951 176.430 174.700 -0.368 0.000 1.042 183 T CA 1.290 63.234 62.100 -0.261 0.000 1.140 183 T CB -0.119 68.552 68.868 -0.327 0.000 0.870 183 T HN 0.329 nan 8.240 nan 0.000 0.445 184 A N 1.192 123.878 122.820 -0.222 0.000 1.933 184 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 184 A C 2.222 179.735 177.584 -0.118 0.000 1.175 184 A CA 1.142 53.051 52.037 -0.214 0.000 0.628 184 A CB -0.746 18.123 19.000 -0.219 0.000 0.814 184 A HN 0.415 nan 8.150 nan 0.000 0.444 185 L N 0.231 121.419 121.223 -0.060 0.000 1.994 185 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 185 L C 2.036 178.908 176.870 0.004 0.000 1.071 185 L CA 2.784 57.611 54.840 -0.023 0.000 0.745 185 L CB -0.550 41.507 42.059 -0.003 0.000 0.892 185 L HN 0.454 nan 8.230 nan 0.000 0.431 186 D N -1.820 118.589 120.400 0.015 0.000 2.178 186 D HA -0.255 4.385 4.640 -0.000 0.000 0.201 186 D C 1.791 178.210 176.300 0.198 0.000 0.980 186 D CA 1.355 55.405 54.000 0.083 0.000 0.842 186 D CB -0.124 40.728 40.800 0.087 0.000 0.948 186 D HN 0.441 nan 8.370 nan 0.000 0.472 187 Y N -0.392 119.881 120.300 -0.046 0.000 2.561 187 Y HA 0.257 4.807 4.550 -0.000 0.000 0.291 187 Y C 2.157 178.012 175.900 -0.075 0.000 1.141 187 Y CA 0.609 58.674 58.100 -0.058 0.000 1.303 187 Y CB -0.057 38.363 38.460 -0.066 0.000 1.015 187 Y HN 0.155 nan 8.280 nan 0.000 0.547 188 G N -0.888 107.955 108.800 0.071 0.000 2.157 188 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 188 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 188 G C 1.350 176.216 174.900 -0.056 0.000 0.979 188 G CA 0.509 45.604 45.100 -0.008 0.000 0.650 188 G HN 0.543 nan 8.290 nan 0.000 0.529 189 A N -0.991 121.781 122.820 -0.080 0.000 2.021 189 A HA 0.631 4.951 4.320 -0.000 0.000 0.216 189 A C 1.190 178.650 177.584 -0.206 0.000 1.163 189 A CA 1.636 53.566 52.037 -0.179 0.000 0.676 189 A CB 0.349 19.201 19.000 -0.247 0.000 0.818 189 A HN 1.056 nan 8.150 nan 0.000 0.453 190 V N 0.480 120.301 119.914 -0.154 0.000 2.581 190 V HA 0.202 4.322 4.120 -0.000 0.000 0.303 190 V C 0.329 176.394 176.094 -0.049 0.000 1.041 190 V CA -0.434 61.811 62.300 -0.093 0.000 0.907 190 V CB 1.510 33.305 31.823 -0.048 0.000 0.994 190 V HN 0.552 nan 8.190 nan 0.000 0.442 191 N N 1.918 120.598 118.700 -0.032 0.000 2.432 191 N HA 0.159 4.899 4.740 -0.000 0.000 0.174 191 N C -0.239 175.268 175.510 -0.005 0.000 1.037 191 N CA 0.221 53.258 53.050 -0.021 0.000 0.892 191 N CB 0.594 39.067 38.487 -0.024 0.000 1.049 191 N HN 0.718 nan 8.380 nan 0.000 0.442 192 E N 0.260 120.464 120.200 0.006 0.000 2.321 192 E HA 0.375 4.725 4.350 -0.000 0.000 0.278 192 E C -1.538 175.080 176.600 0.029 0.000 0.902 192 E CA -0.589 55.820 56.400 0.015 0.000 0.758 192 E CB 3.101 32.810 29.700 0.016 0.000 1.213 192 E HN -0.230 nan 8.360 nan 0.000 0.426 193 V N 3.678 123.610 119.914 0.030 0.000 2.435 193 V HA 0.486 4.606 4.120 -0.000 0.000 0.290 193 V C -0.503 175.611 176.094 0.034 0.000 1.030 193 V CA -0.540 61.783 62.300 0.038 0.000 0.881 193 V CB 1.003 32.848 31.823 0.037 0.000 0.983 193 V HN 0.492 nan 8.190 nan 0.000 0.445 194 L N 3.240 124.486 121.223 0.039 0.000 2.350 194 L HA 0.619 4.959 4.340 -0.000 0.000 0.260 194 L C 0.471 177.364 176.870 0.037 0.000 1.015 194 L CA -0.385 54.477 54.840 0.037 0.000 0.821 194 L CB 2.510 44.595 42.059 0.042 0.000 1.370 194 L HN 0.752 nan 8.230 nan 0.000 0.416 195 S N -0.631 115.091 115.700 0.035 0.000 2.576 195 S HA 0.085 4.555 4.470 -0.000 0.000 0.272 195 S C 0.803 175.427 174.600 0.040 0.000 1.352 195 S CA -0.305 57.916 58.200 0.034 0.000 1.021 195 S CB 0.797 64.015 63.200 0.031 0.000 0.887 195 S HN 0.653 nan 8.310 nan 0.000 0.542 196 E N 0.710 120.933 120.200 0.039 0.000 2.130 196 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 196 E C 2.588 179.219 176.600 0.051 0.000 0.998 196 E CA 1.903 58.330 56.400 0.045 0.000 0.806 196 E CB -0.430 29.294 29.700 0.040 0.000 0.738 196 E HN 0.862 nan 8.360 nan 0.000 0.459 197 Q N -1.018 118.810 119.800 0.045 0.000 2.245 197 Q HA 0.055 4.395 4.340 -0.000 0.000 0.201 197 Q C 2.068 178.102 176.000 0.055 0.000 0.955 197 Q CA 1.301 57.133 55.803 0.048 0.000 0.870 197 Q CB -0.954 27.807 28.738 0.037 0.000 0.945 197 Q HN 0.572 nan 8.270 nan 0.000 0.461 198 E N 0.716 120.948 120.200 0.053 0.000 2.442 198 E HA 0.297 4.646 4.350 -0.000 0.000 0.195 198 E C 1.742 178.384 176.600 0.071 0.000 1.030 198 E CA 0.637 57.071 56.400 0.058 0.000 0.869 198 E CB -0.432 29.296 29.700 0.046 0.000 0.857 198 E HN 0.456 nan 8.360 nan 0.000 0.505 199 L N 0.051 121.317 121.223 0.072 0.000 1.955 199 L HA -0.076 4.264 4.340 -0.000 0.000 0.213 199 L C 2.490 179.418 176.870 0.096 0.000 1.072 199 L CA 1.964 56.849 54.840 0.076 0.000 0.755 199 L CB -0.437 41.666 42.059 0.073 0.000 0.888 199 L HN 0.385 nan 8.230 nan 0.000 0.432 200 L N -0.740 120.559 121.223 0.126 0.000 2.056 200 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 200 L C -0.129 176.914 176.870 0.288 0.000 1.078 200 L CA 1.221 56.175 54.840 0.189 0.000 0.749 200 L CB -1.735 40.467 42.059 0.238 0.000 0.901 200 L HN 0.249 nan 8.230 nan 0.000 0.433 201 P HA -0.225 nan 4.420 nan 0.000 0.216 201 P C 1.375 178.789 177.300 0.189 0.000 1.154 201 P CA 1.308 64.535 63.100 0.212 0.000 0.865 201 P CB 0.020 31.791 31.700 0.118 0.000 0.789 202 R N 0.011 120.588 120.500 0.130 0.000 2.090 202 R HA 0.032 4.372 4.340 -0.000 0.000 0.228 202 R C 2.052 178.401 176.300 0.082 0.000 1.110 202 R CA 1.667 57.823 56.100 0.092 0.000 0.973 202 R CB -1.450 28.888 30.300 0.063 0.000 0.869 202 R HN 0.022 nan 8.270 nan 0.000 0.440 203 A N -0.293 122.565 122.820 0.063 0.000 1.883 203 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 203 A C 2.109 179.672 177.584 -0.035 0.000 1.186 203 A CA 1.607 53.630 52.037 -0.023 0.000 0.624 203 A CB -1.207 17.737 19.000 -0.094 0.000 0.822 203 A HN 0.595 nan 8.150 nan 0.000 0.444 204 W N -0.295 121.023 121.300 0.030 0.000 2.358 204 W HA -0.087 4.573 4.660 -0.000 0.000 0.303 204 W C 2.366 178.895 176.519 0.017 0.000 1.208 204 W CA 1.349 58.709 57.345 0.024 0.000 1.274 204 W CB -0.109 29.365 29.460 0.023 0.000 1.138 204 W HN 0.561 nan 8.180 nan 0.000 0.515 205 E N 0.541 120.879 120.200 0.231 0.000 2.058 205 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 205 E C 2.037 178.692 176.600 0.091 0.000 0.997 205 E CA 1.656 58.139 56.400 0.137 0.000 0.801 205 E CB -0.474 29.286 29.700 0.099 0.000 0.746 205 E HN 0.247 nan 8.360 nan 0.000 0.450 206 L N 0.336 121.597 121.223 0.063 0.000 2.046 206 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 206 L C 2.685 179.566 176.870 0.019 0.000 1.077 206 L CA 1.085 55.943 54.840 0.029 0.000 0.747 206 L CB -0.451 41.614 42.059 0.010 0.000 0.896 206 L HN 0.246 nan 8.230 nan 0.000 0.432 207 A N -0.101 122.725 122.820 0.010 0.000 1.877 207 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 207 A C 2.397 180.006 177.584 0.042 0.000 1.186 207 A CA 1.342 53.373 52.037 -0.010 0.000 0.620 207 A CB -0.457 18.484 19.000 -0.098 0.000 0.822 207 A HN 0.284 nan 8.150 nan 0.000 0.443 208 R N -0.933 119.628 120.500 0.102 0.000 2.091 208 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 208 R C 2.413 178.748 176.300 0.058 0.000 1.136 208 R CA 1.304 57.467 56.100 0.105 0.000 0.959 208 R CB -0.790 29.588 30.300 0.130 0.000 0.856 208 R HN 0.549 nan 8.270 nan 0.000 0.437 209 G N 1.264 110.092 108.800 0.047 0.000 2.418 209 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 209 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 209 G C 1.496 176.406 174.900 0.017 0.000 1.158 209 G CA 0.567 45.684 45.100 0.029 0.000 0.771 209 G HN 0.180 nan 8.290 nan 0.000 0.545 210 I N 1.392 121.969 120.570 0.012 0.000 2.252 210 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 210 I C 3.232 179.349 176.117 0.000 0.000 1.102 210 I CA 0.919 62.219 61.300 0.001 0.000 1.385 210 I CB -0.134 37.862 38.000 -0.007 0.000 1.064 210 I HN 0.228 nan 8.210 nan 0.000 0.414 211 A N 0.205 123.030 122.820 0.009 0.000 2.019 211 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 211 A C 2.225 179.812 177.584 0.004 0.000 1.164 211 A CA 1.761 53.803 52.037 0.008 0.000 0.644 211 A CB -0.538 18.478 19.000 0.026 0.000 0.805 211 A HN 0.362 nan 8.150 nan 0.000 0.449 212 E N 0.120 120.325 120.200 0.008 0.000 2.427 212 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 212 E C 0.429 177.026 176.600 -0.004 0.000 1.028 212 E CA 0.273 56.675 56.400 0.004 0.000 0.864 212 E CB -0.155 29.551 29.700 0.009 0.000 0.813 212 E HN 0.522 nan 8.360 nan 0.000 0.514 213 K N 1.131 121.526 120.400 -0.007 0.000 2.276 213 K HA 0.213 4.533 4.320 -0.000 0.000 0.259 213 K C -2.344 174.241 176.600 -0.024 0.000 1.001 213 K CA -2.269 54.010 56.287 -0.014 0.000 0.927 213 K CB -0.389 32.102 32.500 -0.014 0.000 0.969 213 K HN 0.085 nan 8.250 nan 0.000 0.490 214 P HA -0.059 nan 4.420 nan 0.000 0.267 214 P C 1.009 178.269 177.300 -0.065 0.000 1.200 214 P CA -0.243 62.832 63.100 -0.042 0.000 0.772 214 P CB 0.398 32.073 31.700 -0.041 0.000 0.855 215 L N 4.052 125.230 121.223 -0.075 0.000 1.978 215 L HA -0.234 4.106 4.340 -0.000 0.000 0.218 215 L C 1.827 178.594 176.870 -0.172 0.000 1.075 215 L CA 2.084 56.864 54.840 -0.100 0.000 0.767 215 L CB -1.180 40.824 42.059 -0.093 0.000 0.890 215 L HN 0.364 nan 8.230 nan 0.000 0.434 216 L N -1.057 120.025 121.223 -0.236 0.000 2.240 216 L HA -0.052 4.287 4.340 -0.000 0.000 0.211 216 L C 2.611 179.260 176.870 -0.367 0.000 1.106 216 L CA 0.757 55.314 54.840 -0.473 0.000 0.793 216 L CB -0.821 40.919 42.059 -0.532 0.000 0.927 216 L HN 0.439 nan 8.230 nan 0.000 0.446 217 A N 0.272 122.995 122.820 -0.163 0.000 1.898 217 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 217 A C 2.428 179.985 177.584 -0.045 0.000 1.181 217 A CA 1.517 53.516 52.037 -0.064 0.000 0.620 217 A CB -0.460 18.521 19.000 -0.032 0.000 0.819 217 A HN 0.292 nan 8.150 nan 0.000 0.442 218 R N -0.578 119.882 120.500 -0.067 0.000 2.073 218 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 218 R C 2.480 178.761 176.300 -0.032 0.000 1.134 218 R CA 1.579 57.654 56.100 -0.042 0.000 0.952 218 R CB -0.197 30.074 30.300 -0.048 0.000 0.850 218 R HN 0.518 nan 8.270 nan 0.000 0.433 219 R N -1.029 119.425 120.500 -0.078 0.000 2.066 219 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 219 R C 2.058 178.438 176.300 0.134 0.000 1.131 219 R CA 1.345 57.428 56.100 -0.028 0.000 0.955 219 R CB -0.280 29.950 30.300 -0.116 0.000 0.851 219 R HN 0.282 nan 8.270 nan 0.000 0.432 220 Y N 0.351 120.641 120.300 -0.017 0.000 2.439 220 Y HA 0.073 4.622 4.550 -0.000 0.000 0.292 220 Y C 2.323 178.211 175.900 -0.021 0.000 1.130 220 Y CA 0.003 58.093 58.100 -0.018 0.000 1.254 220 Y CB -0.841 37.611 38.460 -0.014 0.000 1.000 220 Y HN 0.090 nan 8.280 nan 0.000 0.554 221 A N 0.543 123.438 122.820 0.125 0.000 1.877 221 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 221 A C 2.383 179.988 177.584 0.037 0.000 1.186 221 A CA 1.985 54.057 52.037 0.058 0.000 0.620 221 A CB -0.564 18.453 19.000 0.028 0.000 0.822 221 A HN 0.327 nan 8.150 nan 0.000 0.443 222 R N 0.255 120.776 120.500 0.035 0.000 2.083 222 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 222 R C 2.111 178.417 176.300 0.009 0.000 1.137 222 R CA 2.360 58.466 56.100 0.010 0.000 0.951 222 R CB -0.533 29.768 30.300 0.001 0.000 0.851 222 R HN 0.503 nan 8.270 nan 0.000 0.434 223 K N -0.161 120.263 120.400 0.041 0.000 2.032 223 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 223 K C 1.829 178.416 176.600 -0.022 0.000 1.048 223 K CA 1.845 58.138 56.287 0.011 0.000 0.927 223 K CB -0.112 32.406 32.500 0.030 0.000 0.712 223 K HN 0.265 nan 8.250 nan 0.000 0.441 224 V N -1.129 118.779 119.914 -0.011 0.000 2.970 224 V HA -0.053 4.067 4.120 -0.000 0.000 0.260 224 V C 1.638 177.718 176.094 -0.023 0.000 1.100 224 V CA 1.186 63.470 62.300 -0.027 0.000 1.122 224 V CB -0.383 31.428 31.823 -0.018 0.000 0.721 224 V HN 0.197 nan 8.190 nan 0.000 0.483 225 L N 1.257 122.469 121.223 -0.018 0.000 2.529 225 L HA 0.112 4.452 4.340 -0.000 0.000 0.223 225 L C 2.216 179.068 176.870 -0.030 0.000 1.113 225 L CA 1.118 55.944 54.840 -0.022 0.000 0.861 225 L CB -0.202 41.845 42.059 -0.020 0.000 1.012 225 L HN 0.572 nan 8.230 nan 0.000 0.461 226 T N -4.775 109.755 114.554 -0.041 0.000 3.145 226 T HA 0.122 4.471 4.350 -0.000 0.000 0.255 226 T C 1.752 176.414 174.700 -0.063 0.000 1.039 226 T CA -0.470 61.594 62.100 -0.060 0.000 0.928 226 T CB 0.092 68.915 68.868 -0.074 0.000 1.029 226 T HN 0.026 nan 8.240 nan 0.000 0.554 227 R N 1.883 122.355 120.500 -0.047 0.000 2.080 227 R HA -0.093 4.247 4.340 -0.000 0.000 0.236 227 R C 2.372 178.643 176.300 -0.048 0.000 1.137 227 R CA 1.873 57.946 56.100 -0.047 0.000 0.943 227 R CB -0.501 29.776 30.300 -0.038 0.000 0.846 227 R HN 0.638 nan 8.270 nan 0.000 0.431 228 Q N 0.079 119.863 119.800 -0.027 0.000 2.083 228 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 228 Q C 2.121 178.069 176.000 -0.087 0.000 0.969 228 Q CA 0.797 56.600 55.803 0.000 0.000 0.838 228 Q CB -0.236 28.558 28.738 0.093 0.000 0.900 228 Q HN 0.085 nan 8.270 nan 0.000 0.436 229 L N 1.297 122.412 121.223 -0.180 0.000 2.046 229 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 229 L C 2.139 178.862 176.870 -0.245 0.000 1.077 229 L CA 1.743 56.354 54.840 -0.381 0.000 0.747 229 L CB -0.322 41.523 42.059 -0.356 0.000 0.896 229 L HN 0.035 nan 8.230 nan 0.000 0.432 230 R N -1.007 119.398 120.500 -0.158 0.000 2.081 230 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 230 R C 2.414 178.654 176.300 -0.101 0.000 1.131 230 R CA 1.604 57.633 56.100 -0.119 0.000 0.960 230 R CB -0.425 29.822 30.300 -0.089 0.000 0.856 230 R HN 0.366 nan 8.270 nan 0.000 0.436 231 R N 0.614 121.061 120.500 -0.089 0.000 2.073 231 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 231 R C 2.203 178.460 176.300 -0.072 0.000 1.134 231 R CA 1.576 57.638 56.100 -0.065 0.000 0.952 231 R CB -0.413 29.859 30.300 -0.046 0.000 0.850 231 R HN 0.163 nan 8.270 nan 0.000 0.433 232 V N 0.606 120.460 119.914 -0.100 0.000 2.453 232 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 232 V C 2.197 178.217 176.094 -0.123 0.000 1.048 232 V CA 1.848 64.086 62.300 -0.103 0.000 1.049 232 V CB -0.116 31.642 31.823 -0.109 0.000 0.672 232 V HN 0.437 nan 8.190 nan 0.000 0.457 233 M N 0.599 120.107 119.600 -0.154 0.000 2.080 233 M HA -0.161 4.318 4.480 -0.000 0.000 0.260 233 M C 1.962 178.219 176.300 -0.072 0.000 1.068 233 M CA 2.608 57.828 55.300 -0.132 0.000 1.109 233 M CB -0.594 31.920 32.600 -0.143 0.000 1.342 233 M HN 0.500 nan 8.290 nan 0.000 0.405 234 E N -0.134 120.028 120.200 -0.062 0.000 2.077 234 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 234 E C 1.801 178.391 176.600 -0.017 0.000 0.989 234 E CA 1.849 58.228 56.400 -0.035 0.000 0.800 234 E CB -0.469 29.210 29.700 -0.035 0.000 0.746 234 E HN 0.520 nan 8.360 nan 0.000 0.452 235 A N 0.323 123.129 122.820 -0.023 0.000 1.902 235 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 235 A C 1.525 179.119 177.584 0.017 0.000 1.181 235 A CA 1.971 54.004 52.037 -0.005 0.000 0.623 235 A CB -0.248 18.744 19.000 -0.013 0.000 0.818 235 A HN 0.302 nan 8.150 nan 0.000 0.443 236 D N -1.994 118.417 120.400 0.018 0.000 2.479 236 D HA 0.097 4.737 4.640 -0.000 0.000 0.221 236 D C 1.589 178.017 176.300 0.213 0.000 1.104 236 D CA 0.009 54.062 54.000 0.089 0.000 0.849 236 D CB 0.049 40.876 40.800 0.044 0.000 1.072 236 D HN 0.288 nan 8.370 nan 0.000 0.502 237 L N 1.148 122.439 121.223 0.114 0.000 1.976 237 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 237 L C 1.978 178.956 176.870 0.181 0.000 1.071 237 L CA 1.872 56.818 54.840 0.177 0.000 0.746 237 L CB -0.755 41.343 42.059 0.065 0.000 0.890 237 L HN -0.187 nan 8.230 nan 0.000 0.432 238 S N -0.264 115.502 115.700 0.111 0.000 2.382 238 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 238 S C 1.933 176.593 174.600 0.100 0.000 1.027 238 S CA 1.569 59.828 58.200 0.097 0.000 0.991 238 S CB -0.675 62.568 63.200 0.072 0.000 0.823 238 S HN 0.554 nan 8.310 nan 0.000 0.469 239 L N 1.463 122.749 121.223 0.104 0.000 2.012 239 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 239 L C 2.312 179.235 176.870 0.089 0.000 1.073 239 L CA 1.788 56.700 54.840 0.119 0.000 0.748 239 L CB -0.920 41.185 42.059 0.078 0.000 0.891 239 L HN 0.390 nan 8.230 nan 0.000 0.431 240 G N -0.248 108.523 108.800 -0.049 0.000 2.402 240 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 240 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 240 G C 1.551 176.371 174.900 -0.133 0.000 1.162 240 G CA 0.958 45.846 45.100 -0.354 0.000 0.777 240 G HN 0.391 nan 8.290 nan 0.000 0.539 241 L N 0.586 121.814 121.223 0.008 0.000 2.056 241 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 241 L C 3.391 180.267 176.870 0.011 0.000 1.078 241 L CA 1.037 55.919 54.840 0.070 0.000 0.749 241 L CB -0.288 41.865 42.059 0.157 0.000 0.901 241 L HN 0.309 nan 8.230 nan 0.000 0.433 242 A N -1.139 121.695 122.820 0.023 0.000 1.898 242 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 242 A C 2.121 179.618 177.584 -0.146 0.000 1.181 242 A CA 1.266 53.272 52.037 -0.051 0.000 0.620 242 A CB -0.782 18.200 19.000 -0.030 0.000 0.819 242 A HN 0.442 nan 8.150 nan 0.000 0.442 243 H N -0.985 117.995 119.070 -0.150 0.000 2.357 243 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 243 H C 2.161 177.353 175.328 -0.227 0.000 1.082 243 H CA 1.582 57.532 56.048 -0.165 0.000 1.342 243 H CB -0.003 29.676 29.762 -0.139 0.000 1.389 243 H HN 0.757 nan 8.280 nan 0.000 0.511 244 E N 1.075 121.196 120.200 -0.132 0.000 2.058 244 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 244 E C 2.448 178.672 176.600 -0.626 0.000 0.997 244 E CA 0.976 57.226 56.400 -0.250 0.000 0.801 244 E CB 0.008 29.617 29.700 -0.150 0.000 0.746 244 E HN 0.373 nan 8.360 nan 0.000 0.450 245 A N 1.384 123.649 122.820 -0.924 0.000 1.883 245 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 245 A C 2.284 179.315 177.584 -0.921 0.000 1.186 245 A CA 1.407 52.470 52.037 -1.623 0.000 0.624 245 A CB -0.859 17.603 19.000 -0.897 0.000 0.822 245 A HN 0.378 nan 8.150 nan 0.000 0.444 246 L N -0.976 119.950 121.223 -0.495 0.000 2.012 246 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 246 L C 3.125 179.854 176.870 -0.236 0.000 1.073 246 L CA 1.260 55.917 54.840 -0.305 0.000 0.748 246 L CB -0.488 41.425 42.059 -0.245 0.000 0.891 246 L HN 0.483 nan 8.230 nan 0.000 0.431 247 A N -0.446 122.245 122.820 -0.215 0.000 1.902 247 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 247 A C 2.436 179.950 177.584 -0.117 0.000 1.181 247 A CA 1.703 53.665 52.037 -0.125 0.000 0.623 247 A CB -0.652 18.308 19.000 -0.068 0.000 0.818 247 A HN 0.461 nan 8.150 nan 0.000 0.443 248 A N -0.220 122.486 122.820 -0.190 0.000 1.930 248 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 248 A C 2.066 179.667 177.584 0.027 0.000 1.175 248 A CA 1.375 53.394 52.037 -0.030 0.000 0.627 248 A CB -0.562 18.494 19.000 0.094 0.000 0.815 248 A HN 0.478 nan 8.150 nan 0.000 0.443 249 I N -0.275 120.254 120.570 -0.069 0.000 2.361 249 I HA -0.226 3.943 4.170 -0.000 0.000 0.251 249 I C 2.065 178.178 176.117 -0.007 0.000 1.133 249 I CA 1.606 62.909 61.300 0.006 0.000 1.413 249 I CB -0.287 37.687 38.000 -0.044 0.000 1.073 249 I HN 0.277 nan 8.210 nan 0.000 0.424 250 D N 0.676 121.053 120.400 -0.039 0.000 2.218 250 D HA -0.059 4.581 4.640 -0.000 0.000 0.204 250 D C 1.258 177.550 176.300 -0.014 0.000 0.976 250 D CA 0.618 54.601 54.000 -0.028 0.000 0.853 250 D CB 0.059 40.836 40.800 -0.038 0.000 0.939 250 D HN 0.092 nan 8.370 nan 0.000 0.481 251 L N 0.000 121.218 121.223 -0.008 0.000 2.949 251 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 251 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 251 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 251 L HN 0.000 nan 8.230 nan 0.000 0.502