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 1dos_1_B DATA FIRST_RESID 1 DATA SEQUENCE SKIFDFVKPG VITGDDVQKV FQVAKENNFA LPAVNCVGTD SINAVLETAA DATA SEQUENCE KVKAPVIVQF SNGGASFIAG KGVKSDVPQG AAILGAISGA HHVHQMAEHY DATA SEQUENCE GVPVILHTDH CAKKLLPWID GLLDAGEKHF AATGKPLFSS HMIDLSEESL DATA SEQUENCE QENIEICSKY LERMSKIGMT LEIELGCTGG EEDGVDNSHM DASALYTQPE DATA SEQUENCE DVDYAYTELS KISPRFTIAA SFGNVHGVYK AGNVVLTPTI LRDSQEYVSK DATA SEQUENCE KHNLPHNSLN FVFHGGSGST AQEIKDSVSY GVVKMNIDTD TQWATWEGVL DATA SEQUENCE NYYKANEAYL QGQLGNPKGE DQPNKKYYDP RVWLRAGQTS MIARLEKAFQ DATA SEQUENCE ELNAIDVL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.725 174.600 0.208 0.000 1.055 1 S CA 0.000 58.326 58.200 0.210 0.000 1.107 1 S CB 0.000 63.398 63.200 0.331 0.000 0.593 2 K N 0.253 120.761 120.400 0.179 0.000 2.267 2 K HA 0.440 nan 4.320 nan 0.000 0.246 2 K C 0.744 177.464 176.600 0.199 0.000 0.954 2 K CA -2.457 53.909 56.287 0.131 0.000 0.824 2 K CB 1.895 34.421 32.500 0.045 0.000 1.167 2 K HN 0.233 8.832 8.250 0.139 -0.266 0.431 3 I N 3.533 124.187 120.570 0.140 0.000 2.163 3 I HA -0.390 nan 4.170 nan 0.000 0.243 3 I C 1.150 177.414 176.117 0.246 0.000 1.085 3 I CA 3.227 64.633 61.300 0.178 0.000 1.347 3 I CB -0.323 37.676 38.000 -0.002 0.000 1.044 3 I HN 0.313 8.552 8.210 0.049 0.000 0.408 4 F N -3.176 116.806 119.950 0.052 0.000 2.641 4 F HA -0.224 nan 4.527 nan 0.000 0.298 4 F C 0.962 176.710 175.800 -0.087 0.000 1.146 4 F CA 0.819 58.816 58.000 -0.005 0.000 1.464 4 F CB -1.153 37.834 39.000 -0.022 0.000 1.101 4 F HN -0.136 8.043 8.300 -0.021 0.109 0.585 5 D N -0.750 119.641 120.400 -0.015 0.000 2.269 5 D HA -0.150 nan 4.640 nan 0.000 0.208 5 D C 0.788 176.723 176.300 -0.607 0.000 0.963 5 D CA 2.687 56.449 54.000 -0.396 0.000 0.864 5 D CB 0.238 40.611 40.800 -0.711 0.000 0.936 5 D HN -0.487 7.720 8.370 0.043 0.189 0.505 6 F N -4.138 115.869 119.950 0.095 0.000 2.619 6 F HA 0.163 nan 4.527 nan 0.000 0.281 6 F C 0.077 175.915 175.800 0.063 0.000 1.065 6 F CA 0.707 58.745 58.000 0.062 0.000 1.304 6 F CB 2.264 41.291 39.000 0.046 0.000 1.059 6 F HN -0.448 7.770 8.300 0.109 0.148 0.648 7 V N -5.878 114.203 119.914 0.280 0.000 3.158 7 V HA 0.348 nan 4.120 nan 0.000 0.315 7 V C -2.055 174.145 176.094 0.176 0.000 1.148 7 V CA -3.368 59.050 62.300 0.196 0.000 1.042 7 V CB 2.359 34.289 31.823 0.179 0.000 1.101 7 V HN -0.350 8.041 8.190 0.335 0.000 0.448 8 K N -1.861 118.590 120.400 0.085 0.000 2.350 8 K HA 0.520 nan 4.320 nan 0.000 0.241 8 K C -2.469 174.151 176.600 0.035 0.000 0.994 8 K CA -3.030 53.228 56.287 -0.049 0.000 0.839 8 K CB 0.273 32.707 32.500 -0.109 0.000 1.244 8 K HN 0.072 8.368 8.250 0.077 0.000 0.443 9 P HA -0.194 nan 4.420 nan 0.000 0.266 9 P C -1.094 176.203 177.300 -0.005 0.000 1.195 9 P CA 0.360 63.493 63.100 0.054 0.000 0.768 9 P CB -0.187 31.503 31.700 -0.016 0.000 0.838 10 G N 1.167 109.970 108.800 0.004 0.000 2.315 10 G HA2 -0.214 nan 3.960 nan 0.000 0.296 10 G HA3 -0.214 nan 3.960 nan 0.000 0.296 10 G C -2.361 172.507 174.900 -0.053 0.000 1.289 10 G CA -0.456 44.624 45.100 -0.034 0.000 0.996 10 G HN -0.081 8.230 8.290 0.035 0.000 0.487 11 V N 1.382 121.234 119.914 -0.104 0.000 2.530 11 V HA 0.298 nan 4.120 nan 0.000 0.282 11 V C 0.169 176.223 176.094 -0.066 0.000 1.048 11 V CA 0.303 62.505 62.300 -0.164 0.000 0.997 11 V CB 0.091 31.660 31.823 -0.423 0.000 0.987 11 V HN 0.252 8.390 8.190 -0.087 0.000 0.477 12 I N 8.744 129.278 120.570 -0.060 0.000 2.325 12 I HA 0.262 nan 4.170 nan 0.000 0.291 12 I C -0.874 175.225 176.117 -0.031 0.000 1.019 12 I CA -1.000 60.278 61.300 -0.037 0.000 1.302 12 I CB -0.847 37.116 38.000 -0.062 0.000 1.401 12 I HN 0.818 8.978 8.210 -0.082 0.000 0.485 13 T N 0.763 115.320 114.554 0.005 0.000 2.838 13 T HA 0.644 nan 4.350 nan 0.000 0.292 13 T C 0.118 174.837 174.700 0.032 0.000 1.113 13 T CA -2.233 59.887 62.100 0.032 0.000 1.008 13 T CB 3.815 72.741 68.868 0.096 0.000 1.259 13 T HN 0.066 8.315 8.240 0.014 0.000 0.520 14 G N 1.910 110.738 108.800 0.046 0.000 2.566 14 G HA2 -0.465 nan 3.960 nan 0.000 0.280 14 G HA3 -0.465 nan 3.960 nan 0.000 0.280 14 G C 0.046 174.946 174.900 0.001 0.000 1.225 14 G CA 1.160 46.285 45.100 0.042 0.000 0.966 14 G HN -0.022 8.302 8.290 0.056 0.000 0.560 15 D N 4.516 124.917 120.400 0.001 0.000 2.310 15 D HA -0.118 nan 4.640 nan 0.000 0.212 15 D C 1.157 177.424 176.300 -0.054 0.000 0.965 15 D CA 2.149 56.134 54.000 -0.026 0.000 0.879 15 D CB -0.557 40.236 40.800 -0.013 0.000 0.921 15 D HN 0.258 8.641 8.370 0.021 0.000 0.510 16 D N 0.052 120.428 120.400 -0.040 0.000 2.218 16 D HA -0.178 nan 4.640 nan 0.000 0.204 16 D C 2.207 178.422 176.300 -0.141 0.000 0.976 16 D CA 2.944 56.911 54.000 -0.055 0.000 0.853 16 D CB -0.085 40.708 40.800 -0.013 0.000 0.939 16 D HN -0.583 7.729 8.370 -0.015 0.049 0.481 17 V N -0.149 119.658 119.914 -0.178 0.000 2.343 17 V HA -0.407 nan 4.120 nan 0.000 0.247 17 V C 2.049 177.855 176.094 -0.480 0.000 1.051 17 V CA 4.655 66.741 62.300 -0.357 0.000 1.036 17 V CB -0.344 31.324 31.823 -0.258 0.000 0.654 17 V HN -0.603 7.494 8.190 -0.116 0.024 0.451 18 Q N -1.711 117.950 119.800 -0.232 0.000 2.167 18 Q HA -0.279 nan 4.340 nan 0.000 0.202 18 Q C 2.309 178.214 176.000 -0.158 0.000 0.970 18 Q CA 3.196 58.920 55.803 -0.132 0.000 0.855 18 Q CB -0.781 27.909 28.738 -0.080 0.000 0.911 18 Q HN -0.205 7.885 8.270 -0.161 0.083 0.438 19 K N 0.651 120.934 120.400 -0.195 0.000 2.097 19 K HA -0.262 nan 4.320 nan 0.000 0.205 19 K C 2.492 178.950 176.600 -0.237 0.000 1.050 19 K CA 3.520 59.655 56.287 -0.253 0.000 0.938 19 K CB -0.259 32.100 32.500 -0.236 0.000 0.718 19 K HN -0.392 7.651 8.250 -0.176 0.101 0.442 20 V N 0.556 120.336 119.914 -0.224 0.000 2.358 20 V HA -0.344 nan 4.120 nan 0.000 0.246 20 V C 2.125 178.155 176.094 -0.108 0.000 1.047 20 V CA 4.510 66.707 62.300 -0.172 0.000 1.035 20 V CB -0.743 30.919 31.823 -0.269 0.000 0.658 20 V HN -0.216 7.732 8.190 -0.266 0.082 0.452 21 F N -1.649 118.223 119.950 -0.130 0.000 2.186 21 F HA -0.335 nan 4.527 nan 0.000 0.299 21 F C 2.231 177.899 175.800 -0.221 0.000 1.090 21 F CA 1.770 59.665 58.000 -0.176 0.000 1.307 21 F CB -1.300 37.605 39.000 -0.158 0.000 1.019 21 F HN -0.448 7.622 8.300 -0.384 0.000 0.489 22 Q N -0.338 119.441 119.800 -0.035 0.000 2.084 22 Q HA -0.329 nan 4.340 nan 0.000 0.202 22 Q C 2.554 178.465 176.000 -0.148 0.000 0.978 22 Q CA 3.792 59.525 55.803 -0.118 0.000 0.844 22 Q CB -0.082 28.555 28.738 -0.168 0.000 0.898 22 Q HN 0.030 8.272 8.270 -0.048 0.000 0.426 23 V N -0.385 119.435 119.914 -0.156 0.000 2.407 23 V HA -0.410 nan 4.120 nan 0.000 0.248 23 V C 1.676 177.631 176.094 -0.231 0.000 1.055 23 V CA 4.079 66.329 62.300 -0.084 0.000 1.049 23 V CB -1.165 30.695 31.823 0.061 0.000 0.662 23 V HN -0.272 7.815 8.190 -0.172 0.000 0.455 24 A N -0.932 121.602 122.820 -0.477 0.000 1.877 24 A HA -0.357 nan 4.320 nan 0.000 0.216 24 A C 2.128 179.297 177.584 -0.692 0.000 1.186 24 A CA 3.545 54.844 52.037 -1.231 0.000 0.620 24 A CB -0.773 17.754 19.000 -0.788 0.000 0.822 24 A HN -0.027 7.876 8.150 -0.268 0.086 0.443 25 K N -1.809 118.387 120.400 -0.339 0.000 2.097 25 K HA -0.316 nan 4.320 nan 0.000 0.206 25 K C 3.249 179.774 176.600 -0.125 0.000 1.049 25 K CA 3.384 59.551 56.287 -0.200 0.000 0.933 25 K CB -0.148 32.263 32.500 -0.149 0.000 0.717 25 K HN -0.139 7.948 8.250 -0.271 0.000 0.442 26 E N -0.198 119.939 120.200 -0.105 0.000 2.077 26 E HA -0.253 nan 4.350 nan 0.000 0.193 26 E C 1.650 178.258 176.600 0.013 0.000 0.989 26 E CA 2.563 58.947 56.400 -0.026 0.000 0.800 26 E CB -0.052 29.648 29.700 0.000 0.000 0.746 26 E HN -0.006 8.274 8.360 -0.134 0.000 0.452 27 N N -3.833 114.878 118.700 0.019 0.000 2.314 27 N HA 0.137 nan 4.740 nan 0.000 0.200 27 N C -1.137 174.476 175.510 0.172 0.000 1.135 27 N CA -0.076 53.067 53.050 0.154 0.000 0.835 27 N CB 0.561 39.269 38.487 0.369 0.000 0.989 27 N HN -0.532 7.805 8.380 -0.072 0.000 0.478 28 N N -2.848 115.870 118.700 0.030 0.000 2.714 28 N HA -0.324 nan 4.740 nan 0.000 0.253 28 N C -1.593 173.997 175.510 0.135 0.000 1.024 28 N CA 1.491 54.565 53.050 0.039 0.000 0.726 28 N CB -1.124 37.398 38.487 0.059 0.000 0.908 28 N HN -0.486 7.673 8.380 -0.043 0.195 0.542 29 F N -6.428 113.540 119.950 0.030 0.000 2.629 29 F HA 0.522 nan 4.527 nan 0.000 0.316 29 F C -2.557 173.266 175.800 0.038 0.000 1.081 29 F CA -2.760 55.262 58.000 0.036 0.000 0.954 29 F CB 2.562 41.591 39.000 0.050 0.000 1.337 29 F HN -0.142 7.960 8.300 -0.330 0.000 0.474 30 A N -0.484 122.515 122.820 0.298 0.000 2.423 30 A HA 0.504 nan 4.320 nan 0.000 0.304 30 A C -1.836 175.899 177.584 0.252 0.000 1.104 30 A CA -1.782 50.352 52.037 0.161 0.000 0.757 30 A CB 2.945 21.989 19.000 0.074 0.000 1.313 30 A HN 0.153 8.522 8.150 0.364 0.000 0.423 31 L N -0.351 120.976 121.223 0.173 0.000 2.295 31 L HA 0.463 nan 4.340 nan 0.000 0.285 31 L C -2.121 174.719 176.870 -0.050 0.000 1.035 31 L CA -3.118 51.797 54.840 0.125 0.000 0.806 31 L CB 0.842 43.022 42.059 0.201 0.000 1.214 31 L HN 0.382 8.569 8.230 0.127 0.119 0.426 32 P HA 0.226 nan 4.420 nan 0.000 0.276 32 P C -2.291 174.897 177.300 -0.187 0.000 1.230 32 P CA 0.053 62.959 63.100 -0.324 0.000 0.776 32 P CB 0.358 31.630 31.700 -0.713 0.000 0.888 33 A N 3.721 126.451 122.820 -0.149 0.000 2.310 33 A HA 0.739 nan 4.320 nan 0.000 0.304 33 A C -2.130 175.395 177.584 -0.097 0.000 1.231 33 A CA -0.981 50.995 52.037 -0.102 0.000 0.799 33 A CB 1.920 20.858 19.000 -0.103 0.000 1.162 33 A HN 0.666 8.717 8.150 -0.164 0.000 0.486 34 V N 3.289 123.156 119.914 -0.079 0.000 2.459 34 V HA 0.408 nan 4.120 nan 0.000 0.295 34 V C -0.694 175.376 176.094 -0.040 0.000 1.029 34 V CA -1.631 60.636 62.300 -0.055 0.000 0.874 34 V CB 1.801 33.600 31.823 -0.041 0.000 0.985 34 V HN 0.274 8.419 8.190 -0.076 0.000 0.438 35 N N 6.594 125.292 118.700 -0.003 0.000 2.470 35 N HA 0.289 nan 4.740 nan 0.000 0.268 35 N C -0.723 174.828 175.510 0.069 0.000 1.136 35 N CA 0.015 53.088 53.050 0.038 0.000 0.961 35 N CB 0.313 38.846 38.487 0.076 0.000 1.067 35 N HN -0.382 7.998 8.380 -0.001 0.000 0.468 36 C N 2.337 121.710 119.300 0.121 0.000 2.562 36 C HA 0.530 nan 4.460 nan 0.000 0.332 36 C C -0.256 174.941 174.990 0.345 0.000 1.201 36 C CA -1.449 57.694 59.018 0.210 0.000 1.803 36 C CB 2.844 30.712 27.740 0.213 0.000 2.328 36 C HN 0.244 8.528 8.230 0.090 0.000 0.500 37 V N -4.166 115.904 119.914 0.260 0.000 3.252 37 V HA 0.593 nan 4.120 nan 0.000 0.320 37 V C -0.683 175.592 176.094 0.303 0.000 1.459 37 V CA -1.431 61.030 62.300 0.268 0.000 1.095 37 V CB 0.649 32.536 31.823 0.106 0.000 0.997 37 V HN 0.572 8.884 8.190 0.203 0.000 0.469 38 G N 0.501 109.440 108.800 0.232 0.000 2.320 38 G HA2 -0.066 nan 3.960 nan 0.000 0.296 38 G HA3 -0.066 nan 3.960 nan 0.000 0.296 38 G C -1.684 173.257 174.900 0.069 0.000 1.306 38 G CA 0.744 45.931 45.100 0.144 0.000 0.836 38 G HN -0.676 7.765 8.290 0.251 0.000 0.517 39 T N -3.493 111.027 114.554 -0.057 0.000 2.833 39 T HA -0.233 nan 4.350 nan 0.000 0.269 39 T C 1.151 175.831 174.700 -0.033 0.000 1.054 39 T CA 3.335 65.312 62.100 -0.205 0.000 1.135 39 T CB -0.210 68.440 68.868 -0.364 0.000 0.869 39 T HN 0.178 8.383 8.240 -0.059 0.000 0.466 40 D N 1.626 122.032 120.400 0.010 0.000 2.117 40 D HA -0.129 nan 4.640 nan 0.000 0.198 40 D C 2.230 178.564 176.300 0.056 0.000 0.982 40 D CA 3.692 57.712 54.000 0.033 0.000 0.828 40 D CB -0.571 40.239 40.800 0.017 0.000 0.967 40 D HN 0.535 8.895 8.370 0.011 0.016 0.464 41 S N 0.472 116.218 115.700 0.075 0.000 2.387 41 S HA -0.202 nan 4.470 nan 0.000 0.226 41 S C 1.792 176.440 174.600 0.080 0.000 1.026 41 S CA 3.094 61.342 58.200 0.080 0.000 0.972 41 S CB -0.466 62.792 63.200 0.097 0.000 0.814 41 S HN -0.510 7.851 8.310 0.085 0.000 0.477 42 I N 2.599 123.236 120.570 0.113 0.000 2.179 42 I HA -0.571 nan 4.170 nan 0.000 0.242 42 I C 1.662 177.806 176.117 0.044 0.000 1.088 42 I CA 4.087 65.460 61.300 0.121 0.000 1.357 42 I CB -0.471 37.682 38.000 0.256 0.000 1.051 42 I HN -0.439 7.847 8.210 0.126 0.000 0.409 43 N N -0.245 118.503 118.700 0.079 0.000 2.120 43 N HA -0.324 nan 4.740 nan 0.000 0.188 43 N C 2.151 177.640 175.510 -0.036 0.000 1.024 43 N CA 3.204 56.267 53.050 0.022 0.000 0.852 43 N CB -0.819 37.768 38.487 0.166 0.000 1.003 43 N HN -0.036 8.417 8.380 0.121 0.000 0.424 44 A N 0.193 123.025 122.820 0.020 0.000 1.902 44 A HA -0.204 nan 4.320 nan 0.000 0.217 44 A C 2.273 179.864 177.584 0.011 0.000 1.181 44 A CA 3.146 55.200 52.037 0.028 0.000 0.623 44 A CB -0.610 18.414 19.000 0.040 0.000 0.818 44 A HN -0.201 7.973 8.150 0.041 0.000 0.443 45 V N -0.114 119.800 119.914 0.000 0.000 2.295 45 V HA -0.449 nan 4.120 nan 0.000 0.246 45 V C 1.932 178.005 176.094 -0.035 0.000 1.049 45 V CA 4.522 66.832 62.300 0.018 0.000 1.024 45 V CB -0.771 31.059 31.823 0.011 0.000 0.648 45 V HN -0.386 7.807 8.190 0.005 0.000 0.447 46 L N -2.287 118.819 121.223 -0.195 0.000 2.083 46 L HA -0.490 nan 4.340 nan 0.000 0.209 46 L C 2.083 178.795 176.870 -0.263 0.000 1.083 46 L CA 3.503 58.115 54.840 -0.379 0.000 0.752 46 L CB -0.711 40.789 42.059 -0.931 0.000 0.899 46 L HN -0.037 8.067 8.230 -0.210 0.000 0.433 47 E N -0.739 119.366 120.200 -0.158 0.000 2.072 47 E HA -0.372 nan 4.350 nan 0.000 0.191 47 E C 2.388 179.010 176.600 0.037 0.000 0.985 47 E CA 3.537 60.007 56.400 0.116 0.000 0.801 47 E CB 0.042 29.848 29.700 0.175 0.000 0.750 47 E HN 0.061 8.298 8.360 -0.204 0.000 0.452 48 T N 1.796 116.352 114.554 0.003 0.000 2.746 48 T HA -0.267 nan 4.350 nan 0.000 0.267 48 T C 1.689 176.245 174.700 -0.240 0.000 1.039 48 T CA 4.579 66.654 62.100 -0.042 0.000 1.142 48 T CB -0.633 68.295 68.868 0.101 0.000 0.866 48 T HN -0.181 8.069 8.240 0.016 0.000 0.444 49 A N 0.616 123.323 122.820 -0.189 0.000 1.908 49 A HA -0.288 nan 4.320 nan 0.000 0.218 49 A C 1.587 179.028 177.584 -0.239 0.000 1.181 49 A CA 3.076 54.928 52.037 -0.309 0.000 0.627 49 A CB -0.825 18.147 19.000 -0.047 0.000 0.818 49 A HN -0.169 7.954 8.150 -0.045 0.000 0.445 50 A N -2.375 120.395 122.820 -0.083 0.000 1.969 50 A HA -0.226 nan 4.320 nan 0.000 0.218 50 A C 1.507 179.049 177.584 -0.070 0.000 1.169 50 A CA 2.315 54.342 52.037 -0.018 0.000 0.635 50 A CB -0.518 18.554 19.000 0.120 0.000 0.810 50 A HN -0.286 7.846 8.150 -0.030 0.000 0.445 51 K N -1.129 119.213 120.400 -0.097 0.000 2.002 51 K HA -0.217 nan 4.320 nan 0.000 0.209 51 K C 1.892 178.396 176.600 -0.160 0.000 1.048 51 K CA 2.360 58.586 56.287 -0.102 0.000 0.930 51 K CB 0.599 33.048 32.500 -0.085 0.000 0.714 51 K HN -0.306 7.788 8.250 -0.090 0.103 0.438 52 V N -9.762 109.982 119.914 -0.283 0.000 3.306 52 V HA 0.139 nan 4.120 nan 0.000 0.264 52 V C -0.647 175.270 176.094 -0.295 0.000 1.149 52 V CA -0.253 61.858 62.300 -0.315 0.000 1.143 52 V CB 0.217 31.744 31.823 -0.493 0.000 0.767 52 V HN -0.196 7.775 8.190 -0.365 0.000 0.476 53 K N -2.400 117.831 120.400 -0.282 0.000 4.278 53 K HA -0.498 nan 4.320 nan 0.000 0.306 53 K C -2.270 174.148 176.600 -0.304 0.000 1.041 53 K CA 0.385 56.525 56.287 -0.245 0.000 0.957 53 K CB -2.956 29.430 32.500 -0.190 0.000 1.522 53 K HN -0.003 7.934 8.250 -0.277 0.147 0.437 54 A N -0.266 122.371 122.820 -0.306 0.000 2.612 54 A HA 0.556 nan 4.320 nan 0.000 0.293 54 A C -3.088 174.445 177.584 -0.085 0.000 1.075 54 A CA -1.844 50.053 52.037 -0.235 0.000 0.680 54 A CB 2.353 21.234 19.000 -0.199 0.000 1.279 54 A HN -0.511 7.462 8.150 -0.295 0.000 0.411 55 P HA 0.519 nan 4.420 nan 0.000 0.274 55 P C -2.238 175.176 177.300 0.189 0.000 1.256 55 P CA -1.119 62.027 63.100 0.076 0.000 0.795 55 P CB 0.786 32.547 31.700 0.102 0.000 1.038 56 V N -1.041 118.955 119.914 0.137 0.000 3.178 56 V HA 0.537 nan 4.120 nan 0.000 0.302 56 V C -1.949 174.174 176.094 0.049 0.000 1.262 56 V CA -1.841 60.544 62.300 0.143 0.000 1.030 56 V CB 4.137 36.088 31.823 0.215 0.000 1.074 56 V HN -0.218 8.019 8.190 0.079 0.000 0.438 57 I N 4.820 125.399 120.570 0.014 0.000 2.362 57 I HA 0.546 nan 4.170 nan 0.000 0.289 57 I C -1.519 174.570 176.117 -0.047 0.000 0.994 57 I CA -1.042 60.250 61.300 -0.014 0.000 1.158 57 I CB 2.127 40.117 38.000 -0.017 0.000 1.315 57 I HN 0.105 8.314 8.210 -0.001 0.000 0.451 58 V N 7.764 127.631 119.914 -0.078 0.000 2.394 58 V HA 0.463 nan 4.120 nan 0.000 0.282 58 V C -1.593 174.340 176.094 -0.269 0.000 1.031 58 V CA -1.281 60.916 62.300 -0.171 0.000 0.881 58 V CB -0.060 31.654 31.823 -0.182 0.000 0.982 58 V HN 0.576 8.727 8.190 -0.065 0.000 0.451 59 Q N 4.268 123.868 119.800 -0.333 0.000 2.456 59 Q HA 0.908 nan 4.340 nan 0.000 0.283 59 Q C -1.869 173.864 176.000 -0.445 0.000 1.084 59 Q CA -2.596 53.028 55.803 -0.299 0.000 0.801 59 Q CB 4.237 33.020 28.738 0.075 0.000 1.434 59 Q HN 0.392 8.496 8.270 -0.276 0.000 0.419 60 F N -1.018 119.091 119.950 0.264 0.000 2.529 60 F HA 0.466 nan 4.527 nan 0.000 0.320 60 F C -0.671 175.315 175.800 0.311 0.000 1.118 60 F CA -1.682 56.483 58.000 0.275 0.000 0.915 60 F CB 2.896 42.108 39.000 0.354 0.000 1.161 60 F HN 0.053 8.416 8.300 0.105 0.000 0.445 61 S N 3.240 119.176 115.700 0.393 0.000 2.681 61 S HA 0.199 nan 4.470 nan 0.000 0.270 61 S C 0.837 175.476 174.600 0.065 0.000 1.209 61 S CA -1.773 56.593 58.200 0.278 0.000 0.988 61 S CB 2.034 65.337 63.200 0.171 0.000 1.006 61 S HN 0.211 8.732 8.310 0.352 0.000 0.558 62 N N 2.574 121.095 118.700 -0.298 0.000 2.069 62 N HA -0.354 nan 4.740 nan 0.000 0.191 62 N C 1.962 177.221 175.510 -0.418 0.000 1.031 62 N CA 3.654 56.174 53.050 -0.883 0.000 0.852 62 N CB -0.320 37.710 38.487 -0.762 0.000 1.018 62 N HN 0.693 9.008 8.380 -0.108 0.000 0.423 63 G N -1.445 107.246 108.800 -0.183 0.000 2.408 63 G HA2 -0.241 nan 3.960 nan 0.000 0.217 63 G HA3 -0.241 nan 3.960 nan 0.000 0.217 63 G C 1.152 176.059 174.900 0.013 0.000 1.150 63 G CA 1.497 46.552 45.100 -0.076 0.000 0.776 63 G HN 0.174 8.379 8.290 -0.141 0.000 0.542 64 G N 0.775 109.608 108.800 0.056 0.000 2.402 64 G HA2 -0.294 nan 3.960 nan 0.000 0.216 64 G HA3 -0.294 nan 3.960 nan 0.000 0.216 64 G C 0.629 175.631 174.900 0.171 0.000 1.162 64 G CA 1.178 46.370 45.100 0.153 0.000 0.777 64 G HN -0.261 8.057 8.290 0.047 0.000 0.539 65 A N 1.528 124.408 122.820 0.100 0.000 1.902 65 A HA -0.228 nan 4.320 nan 0.000 0.217 65 A C 2.168 179.742 177.584 -0.017 0.000 1.181 65 A CA 2.889 54.939 52.037 0.023 0.000 0.623 65 A CB -0.516 18.541 19.000 0.095 0.000 0.818 65 A HN 0.186 8.383 8.150 0.078 0.000 0.443 66 S N -0.446 115.222 115.700 -0.054 0.000 2.382 66 S HA -0.318 nan 4.470 nan 0.000 0.228 66 S C 1.798 176.411 174.600 0.022 0.000 1.027 66 S CA 3.968 62.142 58.200 -0.044 0.000 0.991 66 S CB -0.138 63.019 63.200 -0.071 0.000 0.823 66 S HN -0.350 7.892 8.310 -0.113 0.000 0.469 67 F N 2.407 122.328 119.950 -0.047 0.000 2.186 67 F HA -0.285 nan 4.527 nan 0.000 0.299 67 F C 0.594 176.382 175.800 -0.020 0.000 1.090 67 F CA 3.071 61.058 58.000 -0.021 0.000 1.307 67 F CB 0.288 39.288 39.000 0.001 0.000 1.019 67 F HN -0.683 7.642 8.300 0.223 0.109 0.489 68 I N -2.368 118.220 120.570 0.030 0.000 2.286 68 I HA -0.487 nan 4.170 nan 0.000 0.248 68 I C 1.173 177.220 176.117 -0.117 0.000 1.115 68 I CA 2.334 63.602 61.300 -0.053 0.000 1.392 68 I CB -0.073 37.891 38.000 -0.059 0.000 1.065 68 I HN -0.608 7.565 8.210 0.113 0.105 0.418 69 A N -2.218 120.543 122.820 -0.098 0.000 1.930 69 A HA -0.036 nan 4.320 nan 0.000 0.217 69 A C 0.106 177.611 177.584 -0.130 0.000 1.175 69 A CA 0.832 52.818 52.037 -0.086 0.000 0.627 69 A CB 0.719 19.686 19.000 -0.053 0.000 0.815 69 A HN -0.524 7.486 8.150 -0.072 0.097 0.443 70 G N -2.855 105.822 108.800 -0.205 0.000 2.885 70 G HA2 -0.219 nan 3.960 nan 0.000 0.685 70 G HA3 -0.219 nan 3.960 nan 0.000 0.685 70 G C 0.400 175.201 174.900 -0.165 0.000 1.216 70 G CA -0.564 44.386 45.100 -0.251 0.000 0.790 70 G HN -0.608 7.467 8.290 -0.209 0.090 0.631 71 K N 3.595 123.896 120.400 -0.164 0.000 2.280 71 K HA -0.246 nan 4.320 nan 0.000 0.202 71 K C 1.190 177.761 176.600 -0.048 0.000 1.047 71 K CA 1.880 58.128 56.287 -0.065 0.000 0.942 71 K CB -0.462 32.025 32.500 -0.022 0.000 0.739 71 K HN 0.576 8.678 8.250 -0.247 0.000 0.457 72 G N -2.614 106.151 108.800 -0.059 0.000 3.371 72 G HA2 0.031 nan 3.960 nan 0.000 0.248 72 G HA3 0.031 nan 3.960 nan 0.000 0.248 72 G C -0.744 174.135 174.900 -0.035 0.000 1.161 72 G CA -0.641 44.436 45.100 -0.039 0.000 0.796 72 G HN -0.179 8.020 8.290 -0.083 0.041 0.539 73 V N 0.060 119.950 119.914 -0.041 0.000 2.881 73 V HA 0.090 nan 4.120 nan 0.000 0.303 73 V C -0.248 175.834 176.094 -0.020 0.000 1.070 73 V CA -0.308 61.974 62.300 -0.031 0.000 1.074 73 V CB 0.919 32.721 31.823 -0.036 0.000 1.012 73 V HN -0.686 7.404 8.190 -0.050 0.070 0.482 74 K N 5.001 125.393 120.400 -0.012 0.000 2.159 74 K HA 0.349 nan 4.320 nan 0.000 0.266 74 K C -1.271 175.328 176.600 -0.002 0.000 0.975 74 K CA -0.417 55.867 56.287 -0.006 0.000 0.865 74 K CB 0.755 33.252 32.500 -0.003 0.000 1.087 74 K HN 0.363 8.606 8.250 -0.011 0.000 0.446 75 S N 2.491 118.191 115.700 -0.000 0.000 2.590 75 S HA 0.135 nan 4.470 nan 0.000 0.286 75 S C -0.550 174.053 174.600 0.006 0.000 1.147 75 S CA -0.203 58.001 58.200 0.006 0.000 0.963 75 S CB 1.896 65.100 63.200 0.006 0.000 1.124 75 S HN 0.087 8.396 8.310 -0.002 0.000 0.458 76 D N 2.163 122.569 120.400 0.010 0.000 2.346 76 D HA 0.060 nan 4.640 nan 0.000 0.206 76 D C -0.051 176.257 176.300 0.014 0.000 1.001 76 D CA 0.594 54.600 54.000 0.010 0.000 0.871 76 D CB 0.520 41.326 40.800 0.010 0.000 0.943 76 D HN 0.155 8.533 8.370 0.012 0.000 0.518 77 V N 3.807 123.733 119.914 0.019 0.000 2.637 77 V HA 0.087 nan 4.120 nan 0.000 0.296 77 V C -1.533 174.577 176.094 0.026 0.000 1.046 77 V CA -1.967 60.349 62.300 0.026 0.000 1.066 77 V CB 0.211 32.054 31.823 0.034 0.000 0.968 77 V HN -0.330 7.827 8.190 0.019 0.044 0.483 78 P HA -0.053 nan 4.420 nan 0.000 0.267 78 P C -0.584 176.739 177.300 0.040 0.000 1.209 78 P CA 0.768 63.885 63.100 0.028 0.000 0.763 78 P CB 0.479 32.199 31.700 0.033 0.000 0.816 79 Q N 0.554 120.365 119.800 0.017 0.000 2.460 79 Q HA -0.269 nan 4.340 nan 0.000 0.248 79 Q C 1.487 177.503 176.000 0.027 0.000 0.847 79 Q CA 1.148 56.954 55.803 0.005 0.000 1.214 79 Q CB -1.940 26.840 28.738 0.069 0.000 1.523 79 Q HN 0.446 8.717 8.270 0.002 0.000 0.602 80 G N -1.196 107.620 108.800 0.026 0.000 2.476 80 G HA2 -0.446 nan 3.960 nan 0.000 0.218 80 G HA3 -0.446 nan 3.960 nan 0.000 0.218 80 G C -0.049 174.867 174.900 0.026 0.000 1.164 80 G CA 2.203 47.325 45.100 0.036 0.000 0.768 80 G HN 0.125 8.379 8.290 0.018 0.047 0.560 81 A N 1.525 124.340 122.820 -0.009 0.000 1.908 81 A HA -0.282 nan 4.320 nan 0.000 0.218 81 A C 1.917 179.480 177.584 -0.035 0.000 1.181 81 A CA 3.053 55.075 52.037 -0.026 0.000 0.627 81 A CB -0.910 18.063 19.000 -0.046 0.000 0.818 81 A HN -0.161 7.979 8.150 -0.018 0.000 0.445 82 A N -1.592 121.170 122.820 -0.097 0.000 1.930 82 A HA -0.228 nan 4.320 nan 0.000 0.217 82 A C 2.447 180.119 177.584 0.147 0.000 1.175 82 A CA 2.701 54.627 52.037 -0.185 0.000 0.627 82 A CB -0.885 17.682 19.000 -0.721 0.000 0.815 82 A HN -0.457 7.622 8.150 -0.118 0.000 0.443 83 I N -1.012 119.693 120.570 0.226 0.000 2.202 83 I HA -0.568 nan 4.170 nan 0.000 0.242 83 I C 1.792 178.013 176.117 0.173 0.000 1.091 83 I CA 4.269 65.742 61.300 0.288 0.000 1.368 83 I CB -0.055 38.065 38.000 0.199 0.000 1.058 83 I HN -0.130 8.160 8.210 0.134 0.000 0.410 84 L N -1.661 119.625 121.223 0.104 0.000 2.017 84 L HA -0.410 nan 4.340 nan 0.000 0.208 84 L C 2.498 179.397 176.870 0.048 0.000 1.073 84 L CA 3.189 58.072 54.840 0.071 0.000 0.745 84 L CB -0.651 41.434 42.059 0.043 0.000 0.894 84 L HN 0.233 8.515 8.230 0.087 0.000 0.432 85 G N -2.724 106.090 108.800 0.023 0.000 2.402 85 G HA2 -0.367 nan 3.960 nan 0.000 0.216 85 G HA3 -0.367 nan 3.960 nan 0.000 0.216 85 G C 0.467 175.310 174.900 -0.094 0.000 1.162 85 G CA 1.949 47.028 45.100 -0.035 0.000 0.777 85 G HN 0.304 8.611 8.290 0.028 0.000 0.539 86 A N 1.960 124.793 122.820 0.021 0.000 1.933 86 A HA -0.207 nan 4.320 nan 0.000 0.218 86 A C 2.124 179.793 177.584 0.142 0.000 1.175 86 A CA 2.767 54.841 52.037 0.062 0.000 0.628 86 A CB -0.680 18.546 19.000 0.377 0.000 0.814 86 A HN -0.385 7.841 8.150 0.126 0.000 0.444 87 I N -2.023 118.618 120.570 0.118 0.000 2.252 87 I HA -0.540 nan 4.170 nan 0.000 0.245 87 I C 1.851 177.894 176.117 -0.125 0.000 1.102 87 I CA 4.007 65.308 61.300 0.001 0.000 1.385 87 I CB -0.238 37.786 38.000 0.041 0.000 1.064 87 I HN -0.264 8.021 8.210 0.125 0.000 0.414 88 S N -0.253 115.448 115.700 0.001 0.000 2.368 88 S HA -0.268 nan 4.470 nan 0.000 0.225 88 S C 2.403 177.032 174.600 0.048 0.000 1.030 88 S CA 3.690 61.934 58.200 0.073 0.000 0.999 88 S CB -0.411 62.816 63.200 0.044 0.000 0.844 88 S HN -0.240 8.077 8.310 0.012 0.000 0.459 89 G N -0.568 108.170 108.800 -0.104 0.000 2.418 89 G HA2 -0.300 nan 3.960 nan 0.000 0.217 89 G HA3 -0.300 nan 3.960 nan 0.000 0.217 89 G C 0.463 175.472 174.900 0.182 0.000 1.158 89 G CA 1.841 46.889 45.100 -0.086 0.000 0.771 89 G HN -0.021 8.149 8.290 -0.199 0.000 0.545 90 A N 1.696 124.543 122.820 0.045 0.000 1.902 90 A HA -0.254 nan 4.320 nan 0.000 0.217 90 A C 1.877 179.530 177.584 0.116 0.000 1.181 90 A CA 2.817 54.825 52.037 -0.047 0.000 0.623 90 A CB -0.766 17.944 19.000 -0.484 0.000 0.818 90 A HN -0.066 8.048 8.150 -0.059 0.000 0.443 91 H N -1.790 117.360 119.070 0.133 0.000 2.387 91 H HA -0.286 nan 4.556 nan 0.000 0.299 91 H C 2.599 178.042 175.328 0.192 0.000 1.090 91 H CA 2.863 58.995 56.048 0.140 0.000 1.332 91 H CB -0.377 29.442 29.762 0.094 0.000 1.386 91 H HN -0.210 7.938 8.280 -0.085 0.081 0.516 92 H N 0.492 119.702 119.070 0.232 0.000 2.353 92 H HA -0.281 nan 4.556 nan 0.000 0.300 92 H C 2.264 177.695 175.328 0.170 0.000 1.090 92 H CA 3.766 59.923 56.048 0.181 0.000 1.327 92 H CB 0.133 29.987 29.762 0.153 0.000 1.383 92 H HN -0.418 8.093 8.280 0.385 0.000 0.508 93 V N -0.120 119.883 119.914 0.147 0.000 2.343 93 V HA -0.475 nan 4.120 nan 0.000 0.247 93 V C 2.154 178.227 176.094 -0.036 0.000 1.051 93 V CA 4.650 66.956 62.300 0.009 0.000 1.036 93 V CB -1.081 30.740 31.823 -0.004 0.000 0.654 93 V HN -0.355 7.996 8.190 0.268 0.000 0.451 94 H N -1.339 117.744 119.070 0.022 0.000 2.387 94 H HA -0.342 nan 4.556 nan 0.000 0.299 94 H C 2.426 177.789 175.328 0.058 0.000 1.090 94 H CA 4.182 60.255 56.048 0.041 0.000 1.332 94 H CB -0.135 29.679 29.762 0.087 0.000 1.386 94 H HN -0.030 8.380 8.280 0.217 0.000 0.516 95 Q N -1.535 118.372 119.800 0.178 0.000 2.096 95 Q HA -0.155 nan 4.340 nan 0.000 0.197 95 Q C 1.803 177.904 176.000 0.168 0.000 0.964 95 Q CA 2.419 58.310 55.803 0.146 0.000 0.838 95 Q CB 0.633 29.434 28.738 0.104 0.000 0.906 95 Q HN -0.528 7.844 8.270 0.183 0.008 0.444 96 M N -3.187 116.445 119.600 0.054 0.000 2.394 96 M HA 0.057 nan 4.480 nan 0.000 0.266 96 M C 2.214 178.649 176.300 0.224 0.000 1.098 96 M CA 0.198 55.588 55.300 0.150 0.000 1.149 96 M CB -0.073 32.524 32.600 -0.004 0.000 1.369 96 M HN -0.274 7.984 8.290 -0.054 0.000 0.450 97 A N -0.379 122.486 122.820 0.075 0.000 1.881 97 A HA -0.433 nan 4.320 nan 0.000 0.219 97 A C 1.253 178.870 177.584 0.056 0.000 1.215 97 A CA 3.792 55.856 52.037 0.046 0.000 0.648 97 A CB -1.253 17.723 19.000 -0.041 0.000 0.832 97 A HN 0.187 8.345 8.150 0.013 0.000 0.455 98 E N -3.866 116.294 120.200 -0.068 0.000 2.204 98 E HA -0.292 nan 4.350 nan 0.000 0.194 98 E C 2.531 178.993 176.600 -0.230 0.000 0.989 98 E CA 2.599 58.892 56.400 -0.179 0.000 0.824 98 E CB -0.543 28.978 29.700 -0.299 0.000 0.756 98 E HN 0.408 8.720 8.360 -0.080 0.000 0.477 99 H N -1.127 117.978 119.070 0.057 0.000 2.547 99 H HA -0.059 nan 4.556 nan 0.000 0.272 99 H C 0.639 175.935 175.328 -0.052 0.000 0.989 99 H CA 1.943 57.986 56.048 -0.009 0.000 1.214 99 H CB -0.065 29.674 29.762 -0.039 0.000 1.389 99 H HN -0.240 7.843 8.280 -0.108 0.132 0.577 100 Y N -2.193 118.139 120.300 0.053 0.000 2.478 100 Y HA -0.017 nan 4.550 nan 0.000 0.261 100 Y C 0.283 176.202 175.900 0.031 0.000 1.127 100 Y CA 0.564 58.687 58.100 0.039 0.000 1.288 100 Y CB 0.598 39.076 38.460 0.029 0.000 1.084 100 Y HN -0.470 7.822 8.280 0.295 0.165 0.530 101 G N -1.244 107.645 108.800 0.149 0.000 2.160 101 G HA2 -0.413 nan 3.960 nan 0.000 0.244 101 G HA3 -0.413 nan 3.960 nan 0.000 0.244 101 G C -0.994 174.043 174.900 0.228 0.000 1.022 101 G CA -0.058 45.126 45.100 0.140 0.000 0.741 101 G HN -0.591 7.577 8.290 0.109 0.187 0.508 102 V N -5.997 114.026 119.914 0.182 0.000 2.823 102 V HA 0.577 nan 4.120 nan 0.000 0.312 102 V C -2.967 173.203 176.094 0.126 0.000 1.072 102 V CA -3.882 58.509 62.300 0.152 0.000 0.937 102 V CB 2.750 34.615 31.823 0.069 0.000 1.013 102 V HN -0.518 7.767 8.190 0.159 0.000 0.430 103 P HA 0.450 nan 4.420 nan 0.000 0.292 103 P C -2.367 174.951 177.300 0.030 0.000 1.287 103 P CA -0.733 62.423 63.100 0.094 0.000 0.800 103 P CB 0.313 32.089 31.700 0.128 0.000 0.945 104 V N 4.578 124.485 119.914 -0.010 0.000 2.588 104 V HA 0.723 nan 4.120 nan 0.000 0.304 104 V C -1.967 174.087 176.094 -0.065 0.000 1.042 104 V CA -2.386 59.892 62.300 -0.036 0.000 0.877 104 V CB 3.903 35.689 31.823 -0.061 0.000 0.996 104 V HN 0.683 8.861 8.190 -0.021 0.000 0.425 105 I N 8.779 129.317 120.570 -0.053 0.000 2.331 105 I HA 0.417 nan 4.170 nan 0.000 0.292 105 I C -1.840 174.261 176.117 -0.027 0.000 0.998 105 I CA -0.908 60.360 61.300 -0.053 0.000 1.267 105 I CB 1.593 39.556 38.000 -0.062 0.000 1.386 105 I HN 0.405 8.596 8.210 -0.031 0.000 0.476 106 L N 8.297 129.506 121.223 -0.023 0.000 2.275 106 L HA 0.621 nan 4.340 nan 0.000 0.288 106 L C -2.093 174.940 176.870 0.273 0.000 1.046 106 L CA -1.385 53.459 54.840 0.007 0.000 0.805 106 L CB 0.902 42.843 42.059 -0.197 0.000 1.193 106 L HN 0.299 8.506 8.230 -0.039 0.000 0.426 107 H N 7.177 126.366 119.070 0.198 0.000 3.016 107 H HA 0.568 nan 4.556 nan 0.000 0.362 107 H C -2.172 173.286 175.328 0.216 0.000 1.233 107 H CA -1.139 55.034 56.048 0.209 0.000 1.124 107 H CB 4.792 34.599 29.762 0.076 0.000 1.850 107 H HN 0.770 9.182 8.280 0.221 0.000 0.549 108 T N 0.089 114.344 114.554 -0.499 0.000 2.829 108 T HA 0.390 nan 4.350 nan 0.000 0.280 108 T C -1.199 173.222 174.700 -0.465 0.000 0.999 108 T CA -2.257 59.652 62.100 -0.318 0.000 0.983 108 T CB 1.694 70.243 68.868 -0.532 0.000 0.968 108 T HN -0.103 7.620 8.240 -0.862 0.000 0.446 109 D N 2.924 123.328 120.400 0.007 0.000 2.440 109 D HA 0.123 nan 4.640 nan 0.000 0.269 109 D C 0.370 176.775 176.300 0.175 0.000 1.249 109 D CA -1.203 52.842 54.000 0.074 0.000 1.055 109 D CB 1.541 42.440 40.800 0.165 0.000 1.104 109 D HN 0.326 8.726 8.370 0.230 0.108 0.561 110 H N -2.505 116.712 119.070 0.245 0.000 3.199 110 H HA -0.314 nan 4.556 nan 0.000 0.267 110 H C -0.614 174.853 175.328 0.231 0.000 0.848 110 H CA 1.419 57.600 56.048 0.222 0.000 1.426 110 H CB -0.707 29.178 29.762 0.204 0.000 1.350 110 H HN 0.351 8.611 8.280 -0.033 0.000 0.527 111 C N 5.336 124.806 119.300 0.283 0.000 2.455 111 C HA 0.214 nan 4.460 nan 0.000 0.321 111 C C -1.429 173.632 174.990 0.118 0.000 1.102 111 C CA -1.770 57.383 59.018 0.225 0.000 1.413 111 C CB 0.576 28.389 27.740 0.121 0.000 1.952 111 C HN 0.089 8.456 8.230 0.229 0.000 0.428 112 A N 6.123 129.008 122.820 0.108 0.000 2.280 112 A HA 0.167 nan 4.320 nan 0.000 0.268 112 A C 0.411 178.021 177.584 0.043 0.000 1.111 112 A CA -0.337 51.736 52.037 0.061 0.000 0.814 112 A CB 1.082 20.106 19.000 0.040 0.000 1.093 112 A HN 0.285 8.510 8.150 0.124 0.000 0.498 113 K N 0.593 121.014 120.400 0.034 0.000 2.103 113 K HA -0.384 nan 4.320 nan 0.000 0.207 113 K C 2.152 178.777 176.600 0.042 0.000 1.048 113 K CA 3.364 59.673 56.287 0.037 0.000 0.930 113 K CB -0.641 31.884 32.500 0.043 0.000 0.716 113 K HN 0.752 9.022 8.250 0.034 0.000 0.444 114 K N -2.221 118.200 120.400 0.035 0.000 2.362 114 K HA -0.127 nan 4.320 nan 0.000 0.200 114 K C 0.406 177.031 176.600 0.042 0.000 1.046 114 K CA 2.066 58.373 56.287 0.033 0.000 0.952 114 K CB -0.880 31.631 32.500 0.019 0.000 0.753 114 K HN -0.361 7.907 8.250 0.030 0.000 0.466 115 L N -2.113 119.144 121.223 0.057 0.000 2.607 115 L HA 0.122 nan 4.340 nan 0.000 0.228 115 L C 0.458 177.407 176.870 0.131 0.000 1.123 115 L CA -0.711 54.184 54.840 0.092 0.000 0.890 115 L CB 0.118 42.246 42.059 0.115 0.000 1.103 115 L HN -0.407 7.692 8.230 0.055 0.164 0.468 116 L N 0.299 121.564 121.223 0.070 0.000 2.103 116 L HA -0.387 nan 4.340 nan 0.000 0.215 116 L C -1.326 175.583 176.870 0.065 0.000 1.080 116 L CA 5.544 60.400 54.840 0.027 0.000 0.764 116 L CB -3.023 39.066 42.059 0.049 0.000 0.890 116 L HN -0.632 7.454 8.230 0.057 0.178 0.435 117 P HA -0.243 nan 4.420 nan 0.000 0.218 117 P C 1.098 178.480 177.300 0.137 0.000 1.146 117 P CA 2.819 65.980 63.100 0.103 0.000 0.813 117 P CB -0.590 31.163 31.700 0.089 0.000 0.778 118 W N -0.843 120.417 121.300 -0.067 0.000 2.354 118 W HA -0.301 nan 4.660 nan 0.000 0.315 118 W C 1.220 177.640 176.519 -0.166 0.000 1.206 118 W CA 3.699 60.983 57.345 -0.101 0.000 1.290 118 W CB -0.286 29.108 29.460 -0.109 0.000 1.152 118 W HN 0.281 8.491 8.180 0.273 0.134 0.489 119 I N -2.103 118.273 120.570 -0.323 0.000 2.315 119 I HA -0.509 nan 4.170 nan 0.000 0.248 119 I C 2.265 178.221 176.117 -0.269 0.000 1.117 119 I CA 2.231 63.169 61.300 -0.603 0.000 1.404 119 I CB -1.223 36.375 38.000 -0.670 0.000 1.071 119 I HN -0.790 7.263 8.210 -0.137 0.075 0.419 120 D N 0.298 120.668 120.400 -0.050 0.000 2.097 120 D HA -0.252 nan 4.640 nan 0.000 0.195 120 D C 2.715 179.024 176.300 0.014 0.000 0.989 120 D CA 3.929 57.961 54.000 0.054 0.000 0.827 120 D CB -0.517 40.336 40.800 0.089 0.000 0.966 120 D HN -0.019 8.335 8.370 -0.028 0.000 0.456 121 G N -0.740 108.065 108.800 0.007 0.000 2.418 121 G HA2 -0.240 nan 3.960 nan 0.000 0.217 121 G HA3 -0.240 nan 3.960 nan 0.000 0.217 121 G C 1.405 176.308 174.900 0.005 0.000 1.158 121 G CA 1.932 47.050 45.100 0.031 0.000 0.771 121 G HN -0.110 8.189 8.290 0.015 0.000 0.545 122 L N 1.159 122.319 121.223 -0.105 0.000 2.141 122 L HA -0.309 nan 4.340 nan 0.000 0.209 122 L C 2.060 178.944 176.870 0.024 0.000 1.094 122 L CA 2.470 57.245 54.840 -0.108 0.000 0.763 122 L CB -0.152 41.639 42.059 -0.445 0.000 0.908 122 L HN -0.232 7.807 8.230 -0.195 0.074 0.437 123 L N -0.880 120.346 121.223 0.006 0.000 2.141 123 L HA -0.458 nan 4.340 nan 0.000 0.209 123 L C 2.022 178.945 176.870 0.087 0.000 1.094 123 L CA 3.204 58.096 54.840 0.086 0.000 0.763 123 L CB -0.694 41.417 42.059 0.087 0.000 0.908 123 L HN 0.308 8.409 8.230 -0.068 0.088 0.437 124 D N -0.523 119.919 120.400 0.070 0.000 2.097 124 D HA -0.311 nan 4.640 nan 0.000 0.195 124 D C 2.210 178.573 176.300 0.104 0.000 0.989 124 D CA 3.625 57.671 54.000 0.076 0.000 0.827 124 D CB -0.593 40.246 40.800 0.065 0.000 0.966 124 D HN -0.303 8.099 8.370 0.052 0.000 0.456 125 A N -1.126 121.762 122.820 0.113 0.000 1.902 125 A HA -0.176 nan 4.320 nan 0.000 0.217 125 A C 2.307 180.002 177.584 0.185 0.000 1.181 125 A CA 2.889 55.012 52.037 0.143 0.000 0.623 125 A CB -0.542 18.540 19.000 0.137 0.000 0.818 125 A HN -0.423 7.785 8.150 0.096 0.000 0.443 126 G N -2.130 106.782 108.800 0.186 0.000 2.422 126 G HA2 -0.343 nan 3.960 nan 0.000 0.218 126 G HA3 -0.343 nan 3.960 nan 0.000 0.218 126 G C 1.583 176.632 174.900 0.248 0.000 1.146 126 G CA 1.802 47.034 45.100 0.221 0.000 0.769 126 G HN 0.138 8.452 8.290 0.166 0.075 0.547 127 E N 1.792 122.101 120.200 0.181 0.000 2.107 127 E HA -0.284 nan 4.350 nan 0.000 0.191 127 E C 2.682 179.416 176.600 0.223 0.000 0.982 127 E CA 3.035 59.540 56.400 0.175 0.000 0.809 127 E CB -0.089 29.670 29.700 0.098 0.000 0.756 127 E HN -0.227 8.221 8.360 0.147 0.000 0.459 128 K N -1.465 119.047 120.400 0.187 0.000 2.057 128 K HA -0.244 nan 4.320 nan 0.000 0.206 128 K C 2.507 179.211 176.600 0.173 0.000 1.050 128 K CA 2.043 58.425 56.287 0.158 0.000 0.935 128 K CB -0.690 31.890 32.500 0.133 0.000 0.715 128 K HN -0.466 7.886 8.250 0.170 0.000 0.439 129 H N 0.958 120.108 119.070 0.133 0.000 2.353 129 H HA -0.271 nan 4.556 nan 0.000 0.300 129 H C 2.234 177.637 175.328 0.125 0.000 1.090 129 H CA 3.902 60.016 56.048 0.110 0.000 1.327 129 H CB 0.274 30.096 29.762 0.101 0.000 1.383 129 H HN -0.258 8.213 8.280 0.319 0.000 0.508 130 F N 0.358 120.387 119.950 0.130 0.000 2.171 130 F HA -0.392 nan 4.527 nan 0.000 0.300 130 F C 1.275 177.079 175.800 0.006 0.000 1.090 130 F CA 3.277 61.322 58.000 0.075 0.000 1.293 130 F CB -0.104 38.955 39.000 0.098 0.000 1.013 130 F HN 0.039 8.439 8.300 0.469 0.181 0.486 131 A N -0.953 121.937 122.820 0.116 0.000 1.930 131 A HA -0.303 nan 4.320 nan 0.000 0.217 131 A C 1.154 178.678 177.584 -0.101 0.000 1.175 131 A CA 2.615 54.660 52.037 0.013 0.000 0.627 131 A CB -0.919 18.133 19.000 0.086 0.000 0.815 131 A HN -0.236 7.953 8.150 0.236 0.103 0.443 132 A N -2.534 120.214 122.820 -0.119 0.000 1.984 132 A HA -0.087 nan 4.320 nan 0.000 0.214 132 A C 1.609 179.064 177.584 -0.215 0.000 1.173 132 A CA 1.956 53.904 52.037 -0.149 0.000 0.673 132 A CB 0.694 19.616 19.000 -0.130 0.000 0.830 132 A HN -0.219 7.879 8.150 -0.088 0.000 0.453 133 T N -8.317 106.049 114.554 -0.313 0.000 2.971 133 T HA 0.243 nan 4.350 nan 0.000 0.252 133 T C 1.018 175.554 174.700 -0.274 0.000 1.022 133 T CA -0.514 61.410 62.100 -0.293 0.000 0.980 133 T CB 1.578 70.210 68.868 -0.393 0.000 1.044 133 T HN -0.154 7.879 8.240 -0.345 0.000 0.501 134 G N 1.985 110.527 108.800 -0.429 0.000 2.176 134 G HA2 -0.369 nan 3.960 nan 0.000 0.253 134 G HA3 -0.369 nan 3.960 nan 0.000 0.253 134 G C -1.036 173.565 174.900 -0.498 0.000 0.979 134 G CA 0.468 45.204 45.100 -0.607 0.000 0.641 134 G HN 0.009 7.907 8.290 -0.471 0.109 0.530 135 K N -0.891 119.420 120.400 -0.148 0.000 2.477 135 K HA 0.561 nan 4.320 nan 0.000 0.255 135 K C -2.995 173.904 176.600 0.499 0.000 0.952 135 K CA -3.442 52.981 56.287 0.228 0.000 0.826 135 K CB 2.004 34.622 32.500 0.197 0.000 1.331 135 K HN -0.666 7.436 8.250 -0.148 0.059 0.437 136 P HA 0.141 nan 4.420 nan 0.000 0.276 136 P C -0.941 176.500 177.300 0.235 0.000 1.261 136 P CA -0.855 62.484 63.100 0.399 0.000 0.800 136 P CB 1.072 32.916 31.700 0.239 0.000 1.066 137 L N -1.529 119.722 121.223 0.045 0.000 2.068 137 L HA -0.043 nan 4.340 nan 0.000 0.204 137 L C -0.184 176.656 176.870 -0.051 0.000 1.076 137 L CA 2.123 56.803 54.840 -0.267 0.000 0.753 137 L CB 0.690 42.626 42.059 -0.204 0.000 0.910 137 L HN 0.296 8.619 8.230 0.156 0.000 0.439 138 F N -5.138 114.811 119.950 -0.001 0.000 2.470 138 F HA 0.246 nan 4.527 nan 0.000 0.329 138 F C 0.077 175.829 175.800 -0.081 0.000 1.072 138 F CA -0.320 57.649 58.000 -0.053 0.000 0.989 138 F CB 2.460 41.326 39.000 -0.223 0.000 1.193 138 F HN -0.549 7.923 8.300 0.286 0.000 0.481 139 S N 0.774 116.542 115.700 0.112 0.000 2.395 139 S HA 0.066 nan 4.470 nan 0.000 0.225 139 S C -0.410 174.218 174.600 0.046 0.000 1.027 139 S CA 2.806 61.041 58.200 0.058 0.000 0.965 139 S CB 1.294 64.512 63.200 0.031 0.000 0.812 139 S HN 0.500 8.785 8.310 0.127 0.101 0.482 140 S N -1.716 114.020 115.700 0.060 0.000 2.615 140 S HA 0.509 nan 4.470 nan 0.000 0.269 140 S C -2.000 172.521 174.600 -0.132 0.000 1.161 140 S CA 0.026 58.253 58.200 0.045 0.000 0.817 140 S CB 2.529 65.886 63.200 0.262 0.000 1.131 140 S HN -0.515 7.874 8.310 0.132 0.000 0.467 141 H N -1.419 117.667 119.070 0.026 0.000 2.895 141 H HA 0.528 nan 4.556 nan 0.000 0.373 141 H C -2.150 173.099 175.328 -0.132 0.000 1.174 141 H CA -0.808 55.080 56.048 -0.266 0.000 1.144 141 H CB 4.653 34.220 29.762 -0.326 0.000 1.793 141 H HN -0.080 8.258 8.280 0.096 0.000 0.551 142 M N 1.901 121.437 119.600 -0.107 0.000 2.268 142 M HA 0.553 nan 4.480 nan 0.000 0.344 142 M C -1.594 174.691 176.300 -0.026 0.000 1.106 142 M CA -1.287 54.036 55.300 0.039 0.000 1.010 142 M CB 2.128 34.785 32.600 0.096 0.000 1.649 142 M HN -0.133 7.979 8.290 -0.296 0.000 0.443 143 I N 5.986 126.557 120.570 0.001 0.000 2.382 143 I HA 0.159 nan 4.170 nan 0.000 0.285 143 I C -1.687 174.458 176.117 0.046 0.000 1.007 143 I CA -2.238 59.035 61.300 -0.046 0.000 1.142 143 I CB 0.257 38.183 38.000 -0.125 0.000 1.289 143 I HN 0.675 8.916 8.210 0.050 0.000 0.453 144 D N 8.430 128.885 120.400 0.091 0.000 2.473 144 D HA 0.167 nan 4.640 nan 0.000 0.226 144 D C -1.378 174.973 176.300 0.084 0.000 1.089 144 D CA -1.132 52.950 54.000 0.137 0.000 0.883 144 D CB 0.018 40.990 40.800 0.286 0.000 1.029 144 D HN 0.452 8.642 8.370 0.081 0.229 0.517 145 L N 3.174 124.436 121.223 0.065 0.000 3.094 145 L HA 0.374 nan 4.340 nan 0.000 0.254 145 L C 0.874 177.772 176.870 0.048 0.000 1.298 145 L CA -1.496 53.374 54.840 0.051 0.000 1.050 145 L CB -1.169 40.921 42.059 0.051 0.000 1.420 145 L HN -0.133 8.138 8.230 0.068 0.000 0.548 146 S N 0.950 116.679 115.700 0.048 0.000 2.481 146 S HA -0.244 nan 4.470 nan 0.000 0.231 146 S C 0.848 175.466 174.600 0.031 0.000 0.996 146 S CA 3.063 61.287 58.200 0.041 0.000 0.942 146 S CB -0.212 63.010 63.200 0.037 0.000 0.768 146 S HN -0.314 8.358 8.310 0.055 -0.329 0.520 147 E N -0.246 119.967 120.200 0.021 0.000 2.358 147 E HA -0.164 nan 4.350 nan 0.000 0.195 147 E C 0.309 176.920 176.600 0.019 0.000 1.010 147 E CA 1.360 57.769 56.400 0.015 0.000 0.856 147 E CB -0.103 29.599 29.700 0.004 0.000 0.795 147 E HN 0.242 8.539 8.360 0.021 0.076 0.504 148 E N -2.452 117.763 120.200 0.025 0.000 2.330 148 E HA 0.148 nan 4.350 nan 0.000 0.256 148 E C -0.572 176.042 176.600 0.023 0.000 1.146 148 E CA -1.647 54.768 56.400 0.024 0.000 0.945 148 E CB 1.576 31.295 29.700 0.031 0.000 1.182 148 E HN -0.727 7.380 8.360 0.030 0.271 0.480 149 S N -0.441 115.269 115.700 0.017 0.000 2.576 149 S HA 0.009 nan 4.470 nan 0.000 0.276 149 S C 0.959 175.568 174.600 0.014 0.000 1.339 149 S CA -0.213 57.991 58.200 0.006 0.000 1.039 149 S CB 0.958 64.155 63.200 -0.005 0.000 0.902 149 S HN 0.507 8.827 8.310 0.017 0.000 0.516 150 L N 3.176 124.397 121.223 -0.003 0.000 2.081 150 L HA -0.396 nan 4.340 nan 0.000 0.212 150 L C 1.509 178.409 176.870 0.049 0.000 1.080 150 L CA 3.825 58.672 54.840 0.012 0.000 0.754 150 L CB -0.599 41.430 42.059 -0.049 0.000 0.893 150 L HN 0.698 8.917 8.230 -0.019 0.000 0.433 151 Q N -2.541 117.257 119.800 -0.004 0.000 2.050 151 Q HA -0.305 nan 4.340 nan 0.000 0.202 151 Q C 2.411 178.469 176.000 0.097 0.000 0.980 151 Q CA 3.673 59.514 55.803 0.062 0.000 0.840 151 Q CB -0.866 27.871 28.738 -0.000 0.000 0.898 151 Q HN 0.306 8.519 8.270 -0.043 0.031 0.424 152 E N -0.031 120.204 120.200 0.057 0.000 2.072 152 E HA -0.406 nan 4.350 nan 0.000 0.191 152 E C 2.123 178.764 176.600 0.067 0.000 0.985 152 E CA 2.674 59.107 56.400 0.056 0.000 0.801 152 E CB -0.136 29.588 29.700 0.039 0.000 0.750 152 E HN -0.694 7.688 8.360 0.036 0.000 0.452 153 N N 0.684 119.425 118.700 0.069 0.000 2.018 153 N HA -0.284 nan 4.740 nan 0.000 0.196 153 N C 2.264 177.820 175.510 0.077 0.000 1.043 153 N CA 3.095 56.188 53.050 0.071 0.000 0.856 153 N CB -0.286 38.243 38.487 0.070 0.000 1.042 153 N HN 0.014 8.431 8.380 0.061 0.000 0.423 154 I N -0.887 119.743 120.570 0.100 0.000 2.361 154 I HA -0.376 nan 4.170 nan 0.000 0.251 154 I C 2.040 178.179 176.117 0.037 0.000 1.133 154 I CA 2.376 63.716 61.300 0.066 0.000 1.413 154 I CB -1.345 36.727 38.000 0.120 0.000 1.073 154 I HN -0.000 8.290 8.210 0.134 0.000 0.424 155 E N 1.208 121.446 120.200 0.064 0.000 2.051 155 E HA -0.318 nan 4.350 nan 0.000 0.192 155 E C 2.798 179.423 176.600 0.040 0.000 0.991 155 E CA 3.552 59.976 56.400 0.041 0.000 0.799 155 E CB 0.027 29.757 29.700 0.050 0.000 0.748 155 E HN -0.431 7.886 8.360 0.090 0.097 0.449 156 I N -1.021 119.591 120.570 0.071 0.000 2.252 156 I HA -0.349 nan 4.170 nan 0.000 0.245 156 I C 2.123 178.347 176.117 0.178 0.000 1.102 156 I CA 2.326 63.697 61.300 0.119 0.000 1.385 156 I CB -1.196 36.894 38.000 0.151 0.000 1.064 156 I HN -0.085 8.168 8.210 0.073 0.000 0.414 157 C N -0.169 119.208 119.300 0.129 0.000 2.413 157 C HA -0.432 nan 4.460 nan 0.000 0.277 157 C C 2.359 177.395 174.990 0.078 0.000 1.265 157 C CA 5.135 64.224 59.018 0.119 0.000 1.752 157 C CB -2.213 25.552 27.740 0.043 0.000 1.998 157 C HN 0.125 8.412 8.230 0.094 0.000 0.489 158 S N 0.017 115.723 115.700 0.009 0.000 2.368 158 S HA -0.361 nan 4.470 nan 0.000 0.225 158 S C 1.815 176.401 174.600 -0.023 0.000 1.030 158 S CA 4.272 62.452 58.200 -0.034 0.000 0.999 158 S CB -0.530 62.632 63.200 -0.063 0.000 0.844 158 S HN 0.094 8.408 8.310 0.006 0.000 0.459 159 K N 1.998 122.378 120.400 -0.033 0.000 2.032 159 K HA -0.311 nan 4.320 nan 0.000 0.209 159 K C 2.624 179.123 176.600 -0.168 0.000 1.048 159 K CA 2.906 59.122 56.287 -0.119 0.000 0.927 159 K CB -0.220 32.173 32.500 -0.179 0.000 0.712 159 K HN -0.887 7.357 8.250 -0.010 0.000 0.441 160 Y N -1.065 119.225 120.300 -0.016 0.000 2.242 160 Y HA -0.294 nan 4.550 nan 0.000 0.291 160 Y C 2.402 178.300 175.900 -0.003 0.000 1.137 160 Y CA 3.744 61.838 58.100 -0.010 0.000 1.181 160 Y CB -0.146 38.310 38.460 -0.007 0.000 0.989 160 Y HN -0.565 7.771 8.280 0.094 0.000 0.527 161 L N -0.715 120.583 121.223 0.124 0.000 2.093 161 L HA -0.389 nan 4.340 nan 0.000 0.208 161 L C 1.761 178.649 176.870 0.030 0.000 1.085 161 L CA 2.890 57.777 54.840 0.078 0.000 0.755 161 L CB -0.398 41.689 42.059 0.047 0.000 0.904 161 L HN 0.289 8.518 8.230 0.120 0.074 0.435 162 E N -1.506 118.691 120.200 -0.006 0.000 2.077 162 E HA -0.456 nan 4.350 nan 0.000 0.193 162 E C 2.484 179.063 176.600 -0.034 0.000 0.989 162 E CA 3.347 59.730 56.400 -0.028 0.000 0.800 162 E CB -0.464 29.207 29.700 -0.048 0.000 0.746 162 E HN -0.114 8.238 8.360 -0.014 0.000 0.452 163 R N -0.989 119.487 120.500 -0.040 0.000 2.066 163 R HA -0.241 nan 4.340 nan 0.000 0.232 163 R C 3.003 179.290 176.300 -0.023 0.000 1.131 163 R CA 2.835 58.910 56.100 -0.041 0.000 0.955 163 R CB 0.032 30.300 30.300 -0.054 0.000 0.851 163 R HN -0.711 7.529 8.270 -0.050 0.000 0.432 164 M N -0.437 119.177 119.600 0.024 0.000 2.213 164 M HA -0.316 nan 4.480 nan 0.000 0.263 164 M C 2.155 178.442 176.300 -0.022 0.000 1.062 164 M CA 3.512 58.828 55.300 0.026 0.000 1.105 164 M CB -0.082 32.571 32.600 0.087 0.000 1.385 164 M HN 0.223 8.546 8.290 0.055 0.000 0.417 165 S N 0.146 115.837 115.700 -0.014 0.000 2.383 165 S HA -0.285 nan 4.470 nan 0.000 0.229 165 S C 1.840 176.397 174.600 -0.071 0.000 1.030 165 S CA 3.696 61.881 58.200 -0.024 0.000 1.002 165 S CB -0.638 62.557 63.200 -0.009 0.000 0.829 165 S HN 0.258 8.446 8.310 0.001 0.122 0.467 166 K N 0.344 120.679 120.400 -0.108 0.000 2.283 166 K HA -0.189 nan 4.320 nan 0.000 0.202 166 K C 0.899 177.268 176.600 -0.385 0.000 1.048 166 K CA 2.351 58.536 56.287 -0.170 0.000 0.948 166 K CB 0.147 32.563 32.500 -0.141 0.000 0.742 166 K HN -0.682 7.499 8.250 -0.087 0.017 0.458 167 I N -8.413 111.889 120.570 -0.447 0.000 3.877 167 I HA 0.331 nan 4.170 nan 0.000 0.332 167 I C -0.091 175.863 176.117 -0.272 0.000 1.525 167 I CA -1.296 59.513 61.300 -0.818 0.000 1.146 167 I CB -0.613 36.963 38.000 -0.707 0.000 1.137 167 I HN -0.646 7.265 8.210 -0.269 0.137 0.424 168 G N 0.889 109.618 108.800 -0.117 0.000 2.338 168 G HA2 -0.418 nan 3.960 nan 0.000 0.296 168 G HA3 -0.418 nan 3.960 nan 0.000 0.296 168 G C -1.215 173.698 174.900 0.021 0.000 1.040 168 G CA 0.753 45.857 45.100 0.007 0.000 1.004 168 G HN -0.348 7.680 8.290 -0.147 0.174 0.509 169 M N -1.787 117.816 119.600 0.005 0.000 2.578 169 M HA 0.494 nan 4.480 nan 0.000 0.321 169 M C -0.749 175.577 176.300 0.043 0.000 1.182 169 M CA -0.771 54.541 55.300 0.020 0.000 0.965 169 M CB 3.206 35.808 32.600 0.004 0.000 1.694 169 M HN -0.650 7.631 8.290 -0.015 0.000 0.461 170 T N 2.587 117.176 114.554 0.059 0.000 2.867 170 T HA 0.600 nan 4.350 nan 0.000 0.282 170 T C -2.031 172.752 174.700 0.138 0.000 1.000 170 T CA -0.061 62.100 62.100 0.102 0.000 1.042 170 T CB 1.513 70.448 68.868 0.112 0.000 0.973 170 T HN 0.183 8.451 8.240 0.047 0.000 0.465 171 L N 3.907 125.237 121.223 0.179 0.000 2.322 171 L HA 0.729 nan 4.340 nan 0.000 0.281 171 L C -2.537 174.466 176.870 0.221 0.000 1.014 171 L CA -1.543 53.410 54.840 0.187 0.000 0.815 171 L CB 3.398 45.557 42.059 0.165 0.000 1.247 171 L HN 0.316 8.667 8.230 0.203 0.000 0.421 172 E N 6.437 126.772 120.200 0.225 0.000 2.151 172 E HA 0.785 nan 4.350 nan 0.000 0.275 172 E C -1.714 174.992 176.600 0.177 0.000 0.936 172 E CA -1.742 54.792 56.400 0.224 0.000 0.777 172 E CB 2.691 32.564 29.700 0.290 0.000 1.108 172 E HN 0.428 8.927 8.360 0.231 0.000 0.401 173 I N -0.552 120.113 120.570 0.159 0.000 3.023 173 I HA 0.995 nan 4.170 nan 0.000 0.312 173 I C -2.389 173.794 176.117 0.109 0.000 1.056 173 I CA -2.637 58.733 61.300 0.117 0.000 1.033 173 I CB 3.832 41.882 38.000 0.084 0.000 1.233 173 I HN 0.465 8.784 8.210 0.181 0.000 0.462 174 E N 0.410 120.662 120.200 0.087 0.000 2.293 174 E HA 0.669 nan 4.350 nan 0.000 0.270 174 E C -1.396 175.239 176.600 0.058 0.000 0.879 174 E CA -1.775 54.660 56.400 0.058 0.000 0.756 174 E CB 3.842 33.575 29.700 0.054 0.000 1.208 174 E HN 0.105 8.516 8.360 0.085 0.000 0.428 175 L N 4.594 125.842 121.223 0.042 0.000 2.406 175 L HA 0.362 nan 4.340 nan 0.000 0.270 175 L C -1.393 175.483 176.870 0.011 0.000 0.982 175 L CA -0.739 54.128 54.840 0.046 0.000 0.843 175 L CB 1.931 44.031 42.059 0.069 0.000 1.225 175 L HN 0.402 8.645 8.230 0.022 0.000 0.412 176 G N 2.521 111.340 108.800 0.031 0.000 2.556 176 G HA2 -0.098 nan 3.960 nan 0.000 0.231 176 G HA3 -0.098 nan 3.960 nan 0.000 0.231 176 G C -0.421 174.539 174.900 0.099 0.000 1.687 176 G CA 0.159 45.284 45.100 0.042 0.000 0.917 176 G HN 0.377 8.695 8.290 0.046 0.000 0.492 177 C N -4.520 114.842 119.300 0.102 0.000 4.006 177 C HA 0.151 nan 4.460 nan 0.000 0.347 177 C C -1.126 173.898 174.990 0.055 0.000 2.891 177 C CA -0.489 58.583 59.018 0.091 0.000 1.532 177 C CB -0.676 27.077 27.740 0.021 0.000 2.817 177 C HN -0.304 7.975 8.230 0.082 0.000 0.352 178 T N 4.912 119.498 114.554 0.054 0.000 2.497 178 T HA -0.279 nan 4.350 nan 0.000 0.226 178 T C -0.551 174.167 174.700 0.029 0.000 1.147 178 T CA 2.106 64.227 62.100 0.034 0.000 2.391 178 T CB -1.321 67.564 68.868 0.029 0.000 1.070 178 T HN -0.116 8.163 8.240 0.065 0.000 0.438 179 G N 4.450 113.262 108.800 0.020 0.000 2.564 179 G HA2 0.247 nan 3.960 nan 0.000 0.282 179 G HA3 0.247 nan 3.960 nan 0.000 0.282 179 G C -1.993 172.910 174.900 0.005 0.000 1.469 179 G CA -0.096 45.015 45.100 0.018 0.000 1.185 179 G HN -0.102 8.196 8.290 0.013 0.000 0.585 180 G N 2.213 111.017 108.800 0.007 0.000 4.099 180 G HA2 -0.059 nan 3.960 nan 0.000 0.114 180 G HA3 -0.059 nan 3.960 nan 0.000 0.114 180 G C -1.578 173.324 174.900 0.002 0.000 1.603 180 G CA 0.760 45.860 45.100 0.000 0.000 1.010 180 G HN -0.134 8.164 8.290 0.012 0.000 0.324 181 E N -0.261 119.941 120.200 0.003 0.000 2.378 181 E HA 0.275 nan 4.350 nan 0.000 0.283 181 E C -2.390 174.212 176.600 0.003 0.000 0.979 181 E CA -0.387 56.014 56.400 0.002 0.000 0.795 181 E CB 2.649 32.350 29.700 0.002 0.000 1.221 181 E HN 0.103 8.466 8.360 0.005 0.000 0.428 182 E N 2.103 122.303 120.200 0.000 0.000 1.008 182 E HA 0.107 nan 4.350 nan 0.000 0.129 182 E C -1.910 174.687 176.600 -0.004 0.000 2.313 182 E CA -0.130 56.270 56.400 0.000 0.000 1.365 182 E CB 1.490 31.191 29.700 0.001 0.000 1.117 182 E HN 0.138 8.497 8.360 -0.002 0.000 0.833 183 D N 1.480 121.876 120.400 -0.007 0.000 2.256 183 D HA 0.253 nan 4.640 nan 0.000 0.240 183 D C 1.117 177.408 176.300 -0.015 0.000 1.062 183 D CA -1.266 52.728 54.000 -0.010 0.000 0.832 183 D CB 1.169 41.963 40.800 -0.010 0.000 1.135 183 D HN -0.074 8.292 8.370 -0.007 0.000 0.484 184 G N 4.016 112.805 108.800 -0.019 0.000 2.599 184 G HA2 -0.427 nan 3.960 nan 0.000 0.219 184 G HA3 -0.427 nan 3.960 nan 0.000 0.219 184 G C 1.052 175.934 174.900 -0.030 0.000 1.193 184 G CA 1.980 47.064 45.100 -0.026 0.000 0.778 184 G HN 0.478 8.758 8.290 -0.016 0.000 0.589 185 V N 0.255 120.153 119.914 -0.026 0.000 2.549 185 V HA -0.412 nan 4.120 nan 0.000 0.268 185 V C 0.966 177.042 176.094 -0.030 0.000 1.138 185 V CA 1.310 63.594 62.300 -0.027 0.000 1.133 185 V CB -0.832 30.977 31.823 -0.022 0.000 0.704 185 V HN -0.528 7.820 8.190 -0.023 -0.171 0.474 186 D N -0.672 119.711 120.400 -0.028 0.000 2.399 186 D HA -0.036 nan 4.640 nan 0.000 0.241 186 D C -1.070 175.209 176.300 -0.036 0.000 1.133 186 D CA 0.629 54.613 54.000 -0.027 0.000 0.890 186 D CB 0.873 41.662 40.800 -0.019 0.000 1.201 186 D HN -0.524 7.752 8.370 -0.026 0.078 0.432 187 N N 1.481 120.161 118.700 -0.032 0.000 2.412 187 N HA -0.222 nan 4.740 nan 0.000 0.279 187 N C -0.604 174.878 175.510 -0.047 0.000 1.287 187 N CA 0.424 53.450 53.050 -0.040 0.000 0.948 187 N CB -0.267 38.203 38.487 -0.027 0.000 1.255 187 N HN 0.104 8.468 8.380 -0.026 0.000 0.485 188 S N 6.385 122.026 115.700 -0.098 0.000 2.552 188 S HA -0.030 nan 4.470 nan 0.000 0.289 188 S C -0.646 173.878 174.600 -0.127 0.000 1.304 188 S CA 1.609 59.716 58.200 -0.155 0.000 1.063 188 S CB 0.300 63.323 63.200 -0.294 0.000 0.848 188 S HN -0.303 7.943 8.310 -0.107 0.000 0.499 189 H N 1.951 121.006 119.070 -0.024 0.000 3.779 189 H HA -0.131 nan 4.556 nan 0.000 0.326 189 H C -0.300 175.011 175.328 -0.028 0.000 0.891 189 H CA 0.170 56.202 56.048 -0.027 0.000 0.974 189 H CB -1.070 28.675 29.762 -0.028 0.000 1.425 189 H HN 0.456 8.815 8.280 0.131 0.000 0.346 190 M N 4.547 124.201 119.600 0.089 0.000 3.593 190 M HA -0.032 nan 4.480 nan 0.000 0.204 190 M C -0.344 175.951 176.300 -0.010 0.000 1.569 190 M CA -1.876 53.442 55.300 0.030 0.000 1.694 190 M CB -2.556 30.063 32.600 0.031 0.000 1.149 190 M HN 0.172 8.514 8.290 0.087 0.000 0.552 191 D N 1.801 122.201 120.400 -0.000 0.000 2.248 191 D HA 0.188 nan 4.640 nan 0.000 0.246 191 D C -1.414 174.858 176.300 -0.046 0.000 1.027 191 D CA 0.041 54.024 54.000 -0.029 0.000 0.853 191 D CB 2.424 43.227 40.800 0.004 0.000 1.243 191 D HN -0.026 8.312 8.370 0.027 0.048 0.462 192 A N 2.857 125.634 122.820 -0.072 0.000 2.594 192 A HA 0.195 nan 4.320 nan 0.000 0.307 192 A C -0.571 176.973 177.584 -0.067 0.000 1.203 192 A CA 0.099 52.095 52.037 -0.069 0.000 0.644 192 A CB 1.234 20.182 19.000 -0.087 0.000 1.349 192 A HN -0.135 7.962 8.150 -0.088 0.000 0.510 193 S N -0.381 115.284 115.700 -0.059 0.000 2.325 193 S HA 0.248 nan 4.470 nan 0.000 0.213 193 S C 0.227 174.793 174.600 -0.057 0.000 1.031 193 S CA 2.979 61.151 58.200 -0.048 0.000 0.984 193 S CB 0.141 63.320 63.200 -0.036 0.000 0.939 193 S HN 0.603 8.879 8.310 -0.056 0.000 0.438 194 A N -2.331 120.451 122.820 -0.063 0.000 2.557 194 A HA 0.209 nan 4.320 nan 0.000 0.292 194 A C -1.664 175.880 177.584 -0.067 0.000 1.139 194 A CA -0.305 51.695 52.037 -0.062 0.000 0.665 194 A CB 0.488 19.469 19.000 -0.031 0.000 1.285 194 A HN -0.393 7.720 8.150 -0.061 0.000 0.433 195 L N -2.272 118.928 121.223 -0.038 0.000 7.965 195 L HA -0.357 nan 4.340 nan 0.000 0.100 195 L C -1.209 175.667 176.870 0.009 0.000 1.179 195 L CA 0.774 55.623 54.840 0.015 0.000 1.328 195 L CB -0.629 41.440 42.059 0.017 0.000 2.930 195 L HN 0.464 8.679 8.230 -0.026 0.000 1.212 196 Y N -2.552 117.747 120.300 -0.001 0.000 2.147 196 Y HA 0.072 nan 4.550 nan 0.000 0.151 196 Y C -0.955 174.941 175.900 -0.007 0.000 1.989 196 Y CA -0.600 57.501 58.100 0.002 0.000 1.321 196 Y CB 1.892 40.361 38.460 0.016 0.000 2.284 196 Y HN -0.280 8.086 8.280 0.144 0.000 0.266 197 T N 3.756 118.475 114.554 0.275 0.000 2.902 197 T HA -0.083 nan 4.350 nan 0.000 0.301 197 T C -0.520 174.205 174.700 0.042 0.000 1.012 197 T CA 1.730 63.898 62.100 0.114 0.000 1.151 197 T CB -0.175 68.718 68.868 0.041 0.000 0.946 197 T HN -0.135 8.267 8.240 0.271 0.000 0.542 198 Q N 5.640 125.446 119.800 0.011 0.000 2.259 198 Q HA 0.387 nan 4.340 nan 0.000 0.246 198 Q C -0.542 175.404 176.000 -0.091 0.000 0.920 198 Q CA -2.353 53.420 55.803 -0.050 0.000 0.895 198 Q CB -0.233 28.466 28.738 -0.064 0.000 1.220 198 Q HN -0.487 8.000 8.270 0.026 -0.201 0.439 199 P HA -0.242 nan 4.420 nan 0.000 0.219 199 P C 1.310 178.394 177.300 -0.361 0.000 1.146 199 P CA 2.787 65.731 63.100 -0.259 0.000 0.808 199 P CB 0.101 31.550 31.700 -0.419 0.000 0.779 200 E N -2.798 117.169 120.200 -0.387 0.000 2.077 200 E HA -0.301 nan 4.350 nan 0.000 0.193 200 E C 2.413 179.024 176.600 0.018 0.000 0.989 200 E CA 3.994 60.264 56.400 -0.215 0.000 0.800 200 E CB -0.718 28.893 29.700 -0.148 0.000 0.746 200 E HN 0.641 8.761 8.360 -0.354 0.027 0.452 201 D N 0.062 120.471 120.400 0.015 0.000 2.097 201 D HA -0.189 nan 4.640 nan 0.000 0.197 201 D C 2.397 178.802 176.300 0.175 0.000 0.984 201 D CA 3.008 57.062 54.000 0.090 0.000 0.826 201 D CB -0.278 40.555 40.800 0.055 0.000 0.973 201 D HN -0.442 7.801 8.370 -0.038 0.104 0.460 202 V N 0.139 120.140 119.914 0.146 0.000 2.332 202 V HA -0.461 nan 4.120 nan 0.000 0.248 202 V C 1.818 178.072 176.094 0.266 0.000 1.055 202 V CA 4.415 66.841 62.300 0.210 0.000 1.038 202 V CB -0.614 31.341 31.823 0.221 0.000 0.651 202 V HN -0.400 7.840 8.190 0.083 0.000 0.450 203 D N -0.235 120.337 120.400 0.287 0.000 2.117 203 D HA -0.327 nan 4.640 nan 0.000 0.197 203 D C 1.425 177.947 176.300 0.370 0.000 0.987 203 D CA 3.517 57.758 54.000 0.402 0.000 0.829 203 D CB 0.215 41.340 40.800 0.542 0.000 0.961 203 D HN -0.186 8.313 8.370 0.215 0.000 0.460 204 Y N 0.481 120.891 120.300 0.184 0.000 2.181 204 Y HA -0.471 nan 4.550 nan 0.000 0.288 204 Y C 1.127 177.067 175.900 0.067 0.000 1.146 204 Y CA 3.701 61.872 58.100 0.120 0.000 1.164 204 Y CB -0.036 38.469 38.460 0.075 0.000 0.982 204 Y HN -0.388 8.042 8.280 0.379 0.078 0.515 205 A N -1.209 121.682 122.820 0.118 0.000 1.877 205 A HA -0.394 nan 4.320 nan 0.000 0.216 205 A C 1.402 178.863 177.584 -0.205 0.000 1.186 205 A CA 3.053 55.054 52.037 -0.060 0.000 0.620 205 A CB -1.272 17.758 19.000 0.051 0.000 0.822 205 A HN -0.079 8.234 8.150 0.271 0.000 0.443 206 Y N -1.162 119.081 120.300 -0.094 0.000 2.128 206 Y HA -0.527 nan 4.550 nan 0.000 0.284 206 Y C 2.190 178.013 175.900 -0.128 0.000 1.154 206 Y CA 4.195 62.273 58.100 -0.035 0.000 1.149 206 Y CB 0.076 38.579 38.460 0.071 0.000 0.976 206 Y HN 0.239 8.663 8.280 0.240 0.000 0.505 207 T N 1.007 115.483 114.554 -0.131 0.000 2.708 207 T HA -0.408 nan 4.350 nan 0.000 0.266 207 T C 2.372 176.885 174.700 -0.312 0.000 1.037 207 T CA 4.622 66.607 62.100 -0.191 0.000 1.146 207 T CB -0.579 68.319 68.868 0.051 0.000 0.865 207 T HN 0.134 8.436 8.240 0.104 0.000 0.435 208 E N 0.739 120.698 120.200 -0.402 0.000 2.047 208 E HA -0.205 nan 4.350 nan 0.000 0.191 208 E C 2.803 179.188 176.600 -0.359 0.000 0.987 208 E CA 2.412 58.571 56.400 -0.402 0.000 0.799 208 E CB -0.524 28.845 29.700 -0.552 0.000 0.752 208 E HN -0.272 7.815 8.360 -0.455 0.000 0.449 209 L N -0.644 120.288 121.223 -0.485 0.000 2.141 209 L HA -0.272 nan 4.340 nan 0.000 0.209 209 L C 1.991 178.655 176.870 -0.343 0.000 1.094 209 L CA 2.785 57.302 54.840 -0.539 0.000 0.763 209 L CB -0.445 40.945 42.059 -1.114 0.000 0.908 209 L HN 0.273 8.175 8.230 -0.547 0.000 0.437 210 S N -1.126 114.361 115.700 -0.354 0.000 2.474 210 S HA -0.186 nan 4.470 nan 0.000 0.235 210 S C 1.107 175.617 174.600 -0.149 0.000 0.997 210 S CA 2.703 60.775 58.200 -0.214 0.000 0.949 210 S CB -0.596 62.311 63.200 -0.488 0.000 0.766 210 S HN -0.177 7.826 8.310 -0.513 0.000 0.517 211 K N -0.397 119.907 120.400 -0.160 0.000 2.211 211 K HA -0.210 nan 4.320 nan 0.000 0.203 211 K C 0.835 177.391 176.600 -0.073 0.000 1.050 211 K CA 2.390 58.614 56.287 -0.104 0.000 0.945 211 K CB 0.347 32.782 32.500 -0.107 0.000 0.732 211 K HN -0.667 7.303 8.250 -0.213 0.152 0.451 212 I N -3.229 117.297 120.570 -0.074 0.000 2.681 212 I HA 0.030 nan 4.170 nan 0.000 0.247 212 I C 0.359 176.470 176.117 -0.009 0.000 1.091 212 I CA 0.361 61.636 61.300 -0.042 0.000 1.442 212 I CB 1.099 39.071 38.000 -0.046 0.000 1.219 212 I HN -0.447 7.548 8.210 -0.102 0.153 0.451 213 S N -2.094 113.622 115.700 0.027 0.000 2.547 213 S HA 0.366 nan 4.470 nan 0.000 0.270 213 S C -1.973 172.723 174.600 0.160 0.000 1.150 213 S CA -2.465 55.774 58.200 0.065 0.000 0.850 213 S CB 1.338 64.578 63.200 0.067 0.000 1.118 213 S HN -0.327 7.999 8.310 0.026 0.000 0.461 214 P HA 0.132 nan 4.420 nan 0.000 0.255 214 P C -0.444 176.709 177.300 -0.245 0.000 1.248 214 P CA 0.383 63.444 63.100 -0.066 0.000 0.807 214 P CB 0.492 32.133 31.700 -0.098 0.000 1.150 215 R N 1.537 122.029 120.500 -0.013 0.000 3.710 215 R HA 0.092 nan 4.340 nan 0.000 0.201 215 R C -1.632 174.742 176.300 0.122 0.000 1.641 215 R CA 0.058 56.153 56.100 -0.008 0.000 1.390 215 R CB -1.474 28.848 30.300 0.037 0.000 1.341 215 R HN -0.122 8.121 8.270 0.075 0.072 0.728 216 F N -1.342 118.622 119.950 0.025 0.000 2.631 216 F HA 0.754 nan 4.527 nan 0.000 0.308 216 F C -2.114 173.699 175.800 0.022 0.000 1.097 216 F CA -2.236 55.783 58.000 0.032 0.000 0.952 216 F CB 2.797 41.803 39.000 0.012 0.000 1.307 216 F HN -0.413 7.481 8.300 -0.607 0.041 0.450 217 T N -4.326 110.361 114.554 0.221 0.000 2.916 217 T HA 0.715 nan 4.350 nan 0.000 0.292 217 T C -1.602 173.215 174.700 0.194 0.000 1.055 217 T CA -2.181 59.967 62.100 0.079 0.000 1.009 217 T CB 2.933 71.789 68.868 -0.020 0.000 1.118 217 T HN 0.647 9.061 8.240 0.289 0.000 0.497 218 I N 0.874 121.546 120.570 0.169 0.000 2.418 218 I HA 0.548 nan 4.170 nan 0.000 0.287 218 I C -1.654 174.640 176.117 0.295 0.000 1.008 218 I CA -1.360 60.100 61.300 0.266 0.000 1.104 218 I CB 3.081 41.294 38.000 0.354 0.000 1.264 218 I HN 0.724 8.975 8.210 0.069 0.000 0.438 219 A N 8.591 131.516 122.820 0.176 0.000 2.774 219 A HA 0.462 nan 4.320 nan 0.000 0.326 219 A C -2.037 175.560 177.584 0.022 0.000 1.478 219 A CA -1.798 50.289 52.037 0.082 0.000 1.099 219 A CB -0.316 18.623 19.000 -0.103 0.000 1.148 219 A HN 0.906 9.146 8.150 0.150 0.000 0.519 220 A N 2.923 125.744 122.820 0.003 0.000 2.286 220 A HA 0.365 nan 4.320 nan 0.000 0.286 220 A C -0.987 176.575 177.584 -0.036 0.000 1.097 220 A CA -1.570 50.423 52.037 -0.074 0.000 0.821 220 A CB 0.993 19.835 19.000 -0.265 0.000 1.076 220 A HN -0.280 7.874 8.150 0.006 0.000 0.490 221 S N 0.726 116.357 115.700 -0.115 0.000 2.480 221 S HA 0.421 nan 4.470 nan 0.000 0.286 221 S C -0.858 173.694 174.600 -0.081 0.000 1.180 221 S CA -0.364 57.640 58.200 -0.326 0.000 1.075 221 S CB 0.858 63.488 63.200 -0.949 0.000 0.996 221 S HN -0.215 8.024 8.310 -0.118 0.000 0.487 222 F N 0.067 119.836 119.950 -0.302 0.000 2.470 222 F HA 0.351 nan 4.527 nan 0.000 0.383 222 F C -0.862 174.939 175.800 0.000 0.000 1.510 222 F CA -1.402 56.536 58.000 -0.104 0.000 1.085 222 F CB 0.170 39.046 39.000 -0.206 0.000 1.466 222 F HN 0.791 9.153 8.300 -0.494 -0.359 0.517 223 G N 0.457 109.228 108.800 -0.049 0.000 2.217 223 G HA2 -0.429 nan 3.960 nan 0.000 0.246 223 G HA3 -0.429 nan 3.960 nan 0.000 0.246 223 G C -0.635 174.145 174.900 -0.201 0.000 0.990 223 G CA 0.510 45.595 45.100 -0.025 0.000 0.627 223 G HN 0.280 8.631 8.290 0.102 0.000 0.522 224 N N -0.322 118.055 118.700 -0.538 0.000 2.892 224 N HA -0.064 nan 4.740 nan 0.000 0.300 224 N C -1.040 174.417 175.510 -0.087 0.000 1.211 224 N CA -0.863 51.972 53.050 -0.357 0.000 1.158 224 N CB -1.565 36.588 38.487 -0.557 0.000 1.455 224 N HN -0.127 7.636 8.380 -0.893 0.080 0.524 225 V N 2.022 121.951 119.914 0.027 0.000 2.421 225 V HA -0.060 nan 4.120 nan 0.000 0.271 225 V C -0.083 176.133 176.094 0.204 0.000 1.031 225 V CA 1.072 63.456 62.300 0.140 0.000 1.032 225 V CB -1.442 30.449 31.823 0.114 0.000 1.009 225 V HN 0.102 8.256 8.190 -0.001 0.036 0.477 226 H N 2.870 121.961 119.070 0.034 0.000 3.058 226 H HA 0.190 nan 4.556 nan 0.000 0.266 226 H C -0.470 174.886 175.328 0.047 0.000 1.135 226 H CA -1.484 54.596 56.048 0.054 0.000 1.174 226 H CB 0.873 30.700 29.762 0.109 0.000 1.581 226 H HN -0.105 8.489 8.280 0.523 0.000 0.553 227 G N 0.532 109.274 108.800 -0.097 0.000 4.677 227 G HA2 -0.017 nan 3.960 nan 0.000 0.225 227 G HA3 -0.017 nan 3.960 nan 0.000 0.225 227 G C -2.234 172.673 174.900 0.012 0.000 0.876 227 G CA -0.086 44.944 45.100 -0.116 0.000 0.652 227 G HN -0.335 7.950 8.290 -0.008 0.000 0.481 228 V N -0.038 119.956 119.914 0.132 0.000 2.946 228 V HA 0.126 nan 4.120 nan 0.000 0.258 228 V C -2.552 173.739 176.094 0.328 0.000 1.726 228 V CA -0.673 61.743 62.300 0.192 0.000 0.940 228 V CB 2.395 34.303 31.823 0.143 0.000 1.309 228 V HN -0.565 7.716 8.190 0.152 0.000 0.458 229 Y N 1.842 122.133 120.300 -0.015 0.000 2.320 229 Y HA 0.294 nan 4.550 nan 0.000 0.324 229 Y C 0.291 176.178 175.900 -0.022 0.000 1.190 229 Y CA -1.814 56.275 58.100 -0.019 0.000 1.215 229 Y CB 1.292 39.732 38.460 -0.033 0.000 1.221 229 Y HN 0.185 8.642 8.280 0.295 0.000 0.486 230 K N 3.883 124.343 120.400 0.100 0.000 2.289 230 K HA -0.330 nan 4.320 nan 0.000 0.251 230 K C -0.783 175.833 176.600 0.027 0.000 1.307 230 K CA 0.944 57.255 56.287 0.039 0.000 1.290 230 K CB -1.247 31.259 32.500 0.009 0.000 0.757 230 K HN 0.373 8.646 8.250 0.038 0.000 0.513 231 A N 3.218 126.039 122.820 0.002 0.000 2.508 231 A HA 0.172 nan 4.320 nan 0.000 0.336 231 A C 0.149 177.702 177.584 -0.052 0.000 1.360 231 A CA -0.583 51.439 52.037 -0.026 0.000 0.841 231 A CB -0.090 18.889 19.000 -0.035 0.000 1.136 231 A HN 0.217 8.368 8.150 0.001 0.000 0.489 232 G N 3.256 112.034 108.800 -0.037 0.000 2.149 232 G HA2 -0.335 nan 3.960 nan 0.000 0.235 232 G HA3 -0.335 nan 3.960 nan 0.000 0.235 232 G C -1.293 173.584 174.900 -0.037 0.000 1.018 232 G CA -0.182 44.893 45.100 -0.042 0.000 0.728 232 G HN 0.521 8.797 8.290 -0.024 0.000 0.508 233 N N -3.422 115.263 118.700 -0.025 0.000 4.790 233 N HA -0.252 nan 4.740 nan 0.000 0.352 233 N C -1.342 174.160 175.510 -0.014 0.000 1.812 233 N CA 0.331 53.371 53.050 -0.017 0.000 2.823 233 N CB 0.633 39.112 38.487 -0.013 0.000 0.434 233 N HN -0.387 7.951 8.380 -0.021 0.030 0.755 234 V N 3.140 123.053 119.914 -0.003 0.000 2.289 234 V HA 0.104 nan 4.120 nan 0.000 0.272 234 V C -1.021 175.080 176.094 0.012 0.000 1.026 234 V CA -0.518 61.789 62.300 0.012 0.000 0.807 234 V CB 0.448 32.279 31.823 0.013 0.000 1.044 234 V HN -0.022 8.165 8.190 -0.006 0.000 0.443 235 V N 7.044 126.969 119.914 0.019 0.000 2.540 235 V HA 0.320 nan 4.120 nan 0.000 0.302 235 V C -0.732 175.379 176.094 0.029 0.000 1.035 235 V CA -1.288 61.026 62.300 0.023 0.000 0.873 235 V CB 2.418 34.257 31.823 0.025 0.000 0.992 235 V HN 0.124 8.328 8.190 0.024 0.000 0.428 236 L N 7.246 128.482 121.223 0.023 0.000 2.477 236 L HA 0.050 nan 4.340 nan 0.000 0.272 236 L C -0.093 176.842 176.870 0.109 0.000 1.157 236 L CA 1.086 55.935 54.840 0.014 0.000 0.889 236 L CB 0.130 42.212 42.059 0.039 0.000 1.158 236 L HN 0.261 8.508 8.230 0.028 0.000 0.473 237 T N 8.628 123.291 114.554 0.182 0.000 3.155 237 T HA 0.454 nan 4.350 nan 0.000 0.384 237 T C -1.125 173.750 174.700 0.293 0.000 1.351 237 T CA -2.159 60.061 62.100 0.199 0.000 1.198 237 T CB -0.280 68.670 68.868 0.137 0.000 1.106 237 T HN 0.697 8.923 8.240 0.166 0.113 0.564 238 P HA -0.066 nan 4.420 nan 0.000 0.225 238 P C 0.749 178.078 177.300 0.049 0.000 1.148 238 P CA 1.932 65.114 63.100 0.137 0.000 0.779 238 P CB -0.290 31.546 31.700 0.227 0.000 0.780 239 T N -4.204 110.361 114.554 0.018 0.000 2.962 239 T HA -0.150 nan 4.350 nan 0.000 0.270 239 T C 2.136 176.685 174.700 -0.252 0.000 1.088 239 T CA 2.745 64.721 62.100 -0.207 0.000 1.127 239 T CB -0.829 67.987 68.868 -0.086 0.000 0.883 239 T HN 0.112 8.365 8.240 0.090 0.040 0.493 240 I N 1.214 121.689 120.570 -0.158 0.000 2.264 240 I HA -0.473 nan 4.170 nan 0.000 0.248 240 I C 1.228 177.172 176.117 -0.288 0.000 1.111 240 I CA 3.781 64.986 61.300 -0.159 0.000 1.382 240 I CB -0.332 37.636 38.000 -0.053 0.000 1.060 240 I HN -0.459 7.678 8.210 -0.072 0.030 0.418 241 L N -1.455 119.496 121.223 -0.454 0.000 2.027 241 L HA -0.311 nan 4.340 nan 0.000 0.206 241 L C 1.735 178.434 176.870 -0.285 0.000 1.074 241 L CA 3.063 57.577 54.840 -0.544 0.000 0.745 241 L CB -1.110 40.544 42.059 -0.674 0.000 0.898 241 L HN -0.532 7.308 8.230 -0.454 0.118 0.433 242 R N -0.217 119.958 120.500 -0.541 0.000 2.083 242 R HA -0.477 nan 4.340 nan 0.000 0.237 242 R C 1.959 178.113 176.300 -0.244 0.000 1.137 242 R CA 3.788 59.541 56.100 -0.578 0.000 0.951 242 R CB -0.407 29.229 30.300 -1.107 0.000 0.851 242 R HN -0.760 7.011 8.270 -0.716 0.069 0.434 243 D N -1.425 118.850 120.400 -0.208 0.000 2.144 243 D HA -0.193 nan 4.640 nan 0.000 0.199 243 D C 2.639 178.939 176.300 -0.001 0.000 0.984 243 D CA 3.285 57.234 54.000 -0.084 0.000 0.834 243 D CB -0.866 39.882 40.800 -0.085 0.000 0.955 243 D HN 0.239 8.444 8.370 -0.275 0.000 0.465 244 S N 0.571 116.268 115.700 -0.005 0.000 2.355 244 S HA -0.248 nan 4.470 nan 0.000 0.222 244 S C 1.988 176.675 174.600 0.146 0.000 1.031 244 S CA 3.900 62.161 58.200 0.101 0.000 0.993 244 S CB -0.117 63.180 63.200 0.161 0.000 0.859 244 S HN -0.523 7.643 8.310 -0.075 0.099 0.453 245 Q N 0.664 120.528 119.800 0.106 0.000 2.061 245 Q HA -0.341 nan 4.340 nan 0.000 0.204 245 Q C 2.662 178.660 176.000 -0.004 0.000 0.984 245 Q CA 3.187 58.994 55.803 0.006 0.000 0.846 245 Q CB -0.336 28.367 28.738 -0.060 0.000 0.902 245 Q HN -0.091 8.242 8.270 0.106 0.000 0.421 246 E N -0.868 119.347 120.200 0.026 0.000 2.077 246 E HA -0.298 nan 4.350 nan 0.000 0.193 246 E C 2.146 178.783 176.600 0.062 0.000 0.989 246 E CA 2.441 58.868 56.400 0.045 0.000 0.800 246 E CB -0.609 29.119 29.700 0.046 0.000 0.746 246 E HN -0.190 8.177 8.360 0.012 0.000 0.452 247 Y N 1.163 121.453 120.300 -0.017 0.000 2.097 247 Y HA -0.451 nan 4.550 nan 0.000 0.282 247 Y C 2.171 178.067 175.900 -0.006 0.000 1.152 247 Y CA 4.066 62.162 58.100 -0.008 0.000 1.136 247 Y CB 0.059 38.524 38.460 0.009 0.000 0.975 247 Y HN -0.307 8.104 8.280 0.217 0.000 0.498 248 V N -1.665 118.324 119.914 0.125 0.000 2.407 248 V HA -0.533 nan 4.120 nan 0.000 0.248 248 V C 2.295 178.368 176.094 -0.035 0.000 1.055 248 V CA 4.287 66.617 62.300 0.050 0.000 1.049 248 V CB -1.173 30.598 31.823 -0.087 0.000 0.662 248 V HN -0.182 8.134 8.190 0.210 0.000 0.455 249 S N -0.018 115.643 115.700 -0.065 0.000 2.353 249 S HA -0.338 nan 4.470 nan 0.000 0.222 249 S C 2.457 177.019 174.600 -0.064 0.000 1.035 249 S CA 4.233 62.397 58.200 -0.059 0.000 1.025 249 S CB -0.443 62.739 63.200 -0.031 0.000 0.902 249 S HN 0.074 8.356 8.310 -0.045 0.000 0.440 250 K N 0.661 121.003 120.400 -0.096 0.000 2.057 250 K HA -0.237 nan 4.320 nan 0.000 0.207 250 K C 2.561 179.048 176.600 -0.187 0.000 1.049 250 K CA 3.070 59.282 56.287 -0.124 0.000 0.931 250 K CB -0.165 32.250 32.500 -0.141 0.000 0.714 250 K HN -0.150 8.047 8.250 -0.088 0.000 0.440 251 K N -1.859 118.358 120.400 -0.304 0.000 2.148 251 K HA -0.205 nan 4.320 nan 0.000 0.204 251 K C 1.337 177.645 176.600 -0.486 0.000 1.050 251 K CA 2.303 58.321 56.287 -0.449 0.000 0.942 251 K CB 0.280 32.385 32.500 -0.660 0.000 0.724 251 K HN -0.376 7.679 8.250 -0.325 0.000 0.446 252 H N -5.405 113.606 119.070 -0.098 0.000 2.674 252 H HA 0.141 nan 4.556 nan 0.000 0.274 252 H C -1.214 174.094 175.328 -0.033 0.000 1.121 252 H CA -0.630 55.397 56.048 -0.035 0.000 1.132 252 H CB 0.683 30.442 29.762 -0.005 0.000 1.606 252 H HN -0.376 7.856 8.280 -0.081 0.000 0.558 253 N N -1.536 117.175 118.700 0.018 0.000 2.696 253 N HA -0.416 nan 4.740 nan 0.000 0.256 253 N C -1.443 174.078 175.510 0.018 0.000 1.031 253 N CA 1.408 54.463 53.050 0.007 0.000 0.730 253 N CB -2.038 36.454 38.487 0.009 0.000 0.894 253 N HN -0.216 8.085 8.380 -0.038 0.056 0.544 254 L N -2.141 119.084 121.223 0.002 0.000 2.330 254 L HA 0.510 nan 4.340 nan 0.000 0.271 254 L C -1.354 175.505 176.870 -0.019 0.000 1.013 254 L CA -3.037 51.793 54.840 -0.017 0.000 0.816 254 L CB 1.110 43.130 42.059 -0.065 0.000 1.287 254 L HN -0.396 7.714 8.230 -0.009 0.114 0.435 255 P HA -0.010 nan 4.420 nan 0.000 0.274 255 P C -0.990 176.324 177.300 0.024 0.000 1.260 255 P CA -0.690 62.418 63.100 0.014 0.000 0.793 255 P CB 0.502 32.207 31.700 0.008 0.000 1.048 256 H N 0.993 120.041 119.070 -0.036 0.000 3.001 256 H HA -0.324 nan 4.556 nan 0.000 0.334 256 H C 0.174 175.476 175.328 -0.044 0.000 1.034 256 H CA 1.971 58.000 56.048 -0.031 0.000 1.420 256 H CB 0.494 30.248 29.762 -0.013 0.000 1.405 256 H HN 0.197 8.573 8.280 0.161 0.000 0.593 257 N N 4.879 123.244 118.700 -0.559 0.000 2.696 257 N HA -0.285 nan 4.740 nan 0.000 0.256 257 N C 0.019 175.366 175.510 -0.271 0.000 1.031 257 N CA 1.200 53.996 53.050 -0.424 0.000 0.730 257 N CB -1.072 37.161 38.487 -0.423 0.000 0.894 257 N HN 0.645 8.655 8.380 -0.615 0.000 0.544 258 S N -0.825 114.727 115.700 -0.248 0.000 2.496 258 S HA -0.064 nan 4.470 nan 0.000 0.224 258 S C -0.123 174.304 174.600 -0.289 0.000 0.996 258 S CA 2.008 60.073 58.200 -0.225 0.000 0.927 258 S CB 0.617 63.700 63.200 -0.195 0.000 0.774 258 S HN 0.241 8.405 8.310 -0.243 0.000 0.524 259 L N 0.850 121.836 121.223 -0.395 0.000 2.334 259 L HA -0.032 nan 4.340 nan 0.000 0.277 259 L C -1.415 175.062 176.870 -0.655 0.000 1.075 259 L CA -0.326 54.185 54.840 -0.548 0.000 0.804 259 L CB 0.737 42.338 42.059 -0.764 0.000 1.174 259 L HN -0.619 7.645 8.230 -0.387 -0.267 0.438 260 N N 1.036 119.387 118.700 -0.581 0.000 2.457 260 N HA 0.251 nan 4.740 nan 0.000 0.250 260 N C -1.440 173.792 175.510 -0.463 0.000 0.982 260 N CA -0.676 52.068 53.050 -0.510 0.000 0.941 260 N CB 0.792 38.998 38.487 -0.468 0.000 1.120 260 N HN 0.058 8.137 8.380 -0.502 0.000 0.505 261 F N 3.227 123.048 119.950 -0.215 0.000 2.440 261 F HA 0.602 nan 4.527 nan 0.000 0.328 261 F C -1.146 174.571 175.800 -0.140 0.000 1.070 261 F CA -1.253 56.655 58.000 -0.153 0.000 1.011 261 F CB 2.338 41.237 39.000 -0.168 0.000 1.226 261 F HN 0.372 8.528 8.300 -0.239 0.000 0.491 262 V N 0.798 120.837 119.914 0.208 0.000 2.540 262 V HA 0.516 nan 4.120 nan 0.000 0.302 262 V C -1.413 174.883 176.094 0.337 0.000 1.035 262 V CA -1.340 61.073 62.300 0.189 0.000 0.873 262 V CB 1.773 33.716 31.823 0.200 0.000 0.992 262 V HN 0.398 8.674 8.190 0.286 0.086 0.428 263 F N 8.266 128.307 119.950 0.152 0.000 2.371 263 F HA 0.428 nan 4.527 nan 0.000 0.363 263 F C -1.990 173.886 175.800 0.128 0.000 1.122 263 F CA -2.718 55.398 58.000 0.192 0.000 1.129 263 F CB 1.479 40.563 39.000 0.140 0.000 1.173 263 F HN 0.794 9.290 8.300 0.327 0.000 0.489 264 H N 7.387 126.673 119.070 0.361 0.000 2.499 264 H HA 0.092 nan 4.556 nan 0.000 0.340 264 H C -0.488 174.793 175.328 -0.077 0.000 1.148 264 H CA -1.113 54.916 56.048 -0.032 0.000 1.215 264 H CB 2.734 32.272 29.762 -0.374 0.000 1.529 264 H HN -0.066 8.614 8.280 0.668 0.000 0.510 265 G N 2.353 111.125 108.800 -0.047 0.000 2.385 265 G HA2 -0.325 nan 3.960 nan 0.000 0.294 265 G HA3 -0.325 nan 3.960 nan 0.000 0.294 265 G C -0.442 174.382 174.900 -0.127 0.000 1.070 265 G CA 0.188 45.267 45.100 -0.036 0.000 1.172 265 G HN 0.507 8.762 8.290 -0.058 0.000 0.516 266 G N -1.720 106.881 108.800 -0.333 0.000 2.492 266 G HA2 -0.177 nan 3.960 nan 0.000 0.214 266 G HA3 -0.177 nan 3.960 nan 0.000 0.214 266 G C -0.453 174.288 174.900 -0.265 0.000 1.147 266 G CA -0.748 44.013 45.100 -0.566 0.000 0.809 266 G HN -0.117 8.014 8.290 -0.266 0.000 0.533 267 S N 1.302 116.909 115.700 -0.155 0.000 2.784 267 S HA -0.328 nan 4.470 nan 0.000 0.322 267 S C 0.978 175.540 174.600 -0.063 0.000 1.234 267 S CA 1.509 59.657 58.200 -0.086 0.000 1.064 267 S CB -0.256 62.913 63.200 -0.051 0.000 0.787 267 S HN -0.222 8.000 8.310 -0.147 0.000 0.506 268 G N 6.345 115.115 108.800 -0.050 0.000 2.475 268 G HA2 -0.291 nan 3.960 nan 0.000 0.209 268 G HA3 -0.291 nan 3.960 nan 0.000 0.209 268 G C -0.452 174.441 174.900 -0.011 0.000 1.127 268 G CA -0.288 44.795 45.100 -0.028 0.000 0.681 268 G HN 0.542 8.801 8.290 -0.052 0.000 0.517 269 S N 4.913 120.608 115.700 -0.007 0.000 2.575 269 S HA -0.089 nan 4.470 nan 0.000 0.295 269 S C 0.337 174.955 174.600 0.029 0.000 1.267 269 S CA 1.417 59.643 58.200 0.044 0.000 1.074 269 S CB 0.209 63.469 63.200 0.100 0.000 0.829 269 S HN -0.232 7.985 8.310 -0.035 0.072 0.497 270 T N 1.352 115.934 114.554 0.047 0.000 2.813 270 T HA 0.148 nan 4.350 nan 0.000 0.297 270 T C 0.823 175.549 174.700 0.043 0.000 1.036 270 T CA -1.184 60.937 62.100 0.035 0.000 1.044 270 T CB 1.487 70.376 68.868 0.035 0.000 0.993 270 T HN -0.225 8.278 8.240 0.059 -0.227 0.535 271 A N 0.919 123.757 122.820 0.031 0.000 1.927 271 A HA -0.417 nan 4.320 nan 0.000 0.220 271 A C 2.417 180.024 177.584 0.039 0.000 1.185 271 A CA 3.370 55.425 52.037 0.031 0.000 0.639 271 A CB -0.566 18.449 19.000 0.024 0.000 0.820 271 A HN 0.644 8.808 8.150 0.024 0.000 0.451 272 Q N -1.731 118.092 119.800 0.038 0.000 2.079 272 Q HA -0.246 nan 4.340 nan 0.000 0.200 272 Q C 2.249 178.277 176.000 0.047 0.000 0.974 272 Q CA 2.962 58.786 55.803 0.034 0.000 0.840 272 Q CB -0.657 28.100 28.738 0.032 0.000 0.898 272 Q HN 0.463 8.745 8.270 0.036 0.010 0.430 273 E N 0.393 120.641 120.200 0.080 0.000 2.110 273 E HA -0.323 nan 4.350 nan 0.000 0.193 273 E C 2.589 179.295 176.600 0.176 0.000 0.988 273 E CA 2.902 59.379 56.400 0.129 0.000 0.804 273 E CB -0.274 29.525 29.700 0.165 0.000 0.745 273 E HN -0.717 7.688 8.360 0.075 0.000 0.458 274 I N -0.222 120.449 120.570 0.168 0.000 2.202 274 I HA -0.388 nan 4.170 nan 0.000 0.242 274 I C 1.756 177.933 176.117 0.099 0.000 1.091 274 I CA 2.384 63.799 61.300 0.192 0.000 1.368 274 I CB -1.256 36.801 38.000 0.094 0.000 1.058 274 I HN 0.007 8.280 8.210 0.123 0.011 0.410 275 K N 0.571 120.995 120.400 0.041 0.000 2.063 275 K HA -0.448 nan 4.320 nan 0.000 0.208 275 K C 2.349 178.889 176.600 -0.100 0.000 1.048 275 K CA 3.969 60.250 56.287 -0.009 0.000 0.928 275 K CB -0.332 32.165 32.500 -0.006 0.000 0.713 275 K HN -0.095 8.184 8.250 0.048 0.000 0.442 276 D N -1.047 119.270 120.400 -0.138 0.000 2.097 276 D HA -0.152 nan 4.640 nan 0.000 0.197 276 D C 3.094 179.055 176.300 -0.565 0.000 0.984 276 D CA 3.051 56.818 54.000 -0.389 0.000 0.826 276 D CB -0.622 40.031 40.800 -0.246 0.000 0.973 276 D HN -0.017 8.319 8.370 -0.057 0.000 0.460 277 S N 1.625 117.197 115.700 -0.212 0.000 2.370 277 S HA -0.295 nan 4.470 nan 0.000 0.226 277 S C 2.274 176.799 174.600 -0.124 0.000 1.033 277 S CA 3.609 61.714 58.200 -0.158 0.000 1.011 277 S CB -0.018 63.179 63.200 -0.006 0.000 0.852 277 S HN -0.326 7.947 8.310 -0.062 0.000 0.457 278 V N 0.790 120.662 119.914 -0.070 0.000 2.295 278 V HA -0.352 nan 4.120 nan 0.000 0.246 278 V C 1.949 177.988 176.094 -0.091 0.000 1.049 278 V CA 4.078 66.353 62.300 -0.041 0.000 1.024 278 V CB -0.901 30.922 31.823 0.001 0.000 0.648 278 V HN 0.047 8.210 8.190 -0.040 0.003 0.447 279 S N 0.837 116.422 115.700 -0.193 0.000 2.500 279 S HA -0.204 nan 4.470 nan 0.000 0.239 279 S C 0.494 175.067 174.600 -0.045 0.000 0.989 279 S CA 3.196 61.297 58.200 -0.165 0.000 0.951 279 S CB -0.340 62.715 63.200 -0.241 0.000 0.759 279 S HN -0.062 8.028 8.310 -0.249 0.070 0.523 280 Y N -0.311 119.974 120.300 -0.025 0.000 2.524 280 Y HA 0.109 nan 4.550 nan 0.000 0.266 280 Y C -0.232 175.663 175.900 -0.007 0.000 1.180 280 Y CA -2.171 55.904 58.100 -0.041 0.000 1.244 280 Y CB -0.527 37.878 38.460 -0.091 0.000 1.125 280 Y HN -0.757 7.222 8.280 -0.208 0.176 0.524 281 G N -3.156 105.693 108.800 0.080 0.000 2.184 281 G HA2 -0.293 nan 3.960 nan 0.000 0.206 281 G HA3 -0.293 nan 3.960 nan 0.000 0.206 281 G C -1.214 173.688 174.900 0.004 0.000 0.995 281 G CA -0.135 44.966 45.100 0.002 0.000 0.651 281 G HN -0.380 7.763 8.290 0.028 0.164 0.511 282 V N 2.084 122.023 119.914 0.041 0.000 2.479 282 V HA -0.013 nan 4.120 nan 0.000 0.281 282 V C 0.425 176.481 176.094 -0.063 0.000 1.031 282 V CA 2.035 64.352 62.300 0.028 0.000 1.038 282 V CB -0.444 31.420 31.823 0.068 0.000 0.981 282 V HN -0.606 7.606 8.190 0.036 0.000 0.478 283 V N 0.603 120.413 119.914 -0.172 0.000 3.556 283 V HA 0.474 nan 4.120 nan 0.000 0.287 283 V C -1.356 174.635 176.094 -0.172 0.000 1.422 283 V CA -0.493 61.654 62.300 -0.256 0.000 1.038 283 V CB 1.230 32.692 31.823 -0.602 0.000 0.850 283 V HN 0.685 8.761 8.190 -0.191 0.000 0.437 284 K N 0.242 120.568 120.400 -0.123 0.000 2.535 284 K HA 0.565 nan 4.320 nan 0.000 0.251 284 K C -3.104 173.495 176.600 -0.002 0.000 0.942 284 K CA -0.501 55.750 56.287 -0.059 0.000 0.798 284 K CB 3.759 36.187 32.500 -0.120 0.000 1.267 284 K HN -0.814 7.380 8.250 -0.092 0.000 0.434 285 M N 6.513 126.090 119.600 -0.038 0.000 2.134 285 M HA 0.403 nan 4.480 nan 0.000 0.310 285 M C -2.256 173.954 176.300 -0.151 0.000 0.966 285 M CA -0.968 54.289 55.300 -0.071 0.000 0.922 285 M CB 3.726 36.254 32.600 -0.120 0.000 1.537 285 M HN 0.804 9.057 8.290 -0.061 0.000 0.424 286 N N 6.708 125.295 118.700 -0.189 0.000 2.497 286 N HA 0.438 nan 4.740 nan 0.000 0.271 286 N C -1.158 174.243 175.510 -0.182 0.000 1.142 286 N CA 0.760 53.680 53.050 -0.218 0.000 0.965 286 N CB 0.620 38.888 38.487 -0.365 0.000 1.077 286 N HN 0.279 8.560 8.380 -0.166 0.000 0.462 287 I N 2.998 123.488 120.570 -0.133 0.000 2.533 287 I HA 0.158 nan 4.170 nan 0.000 0.290 287 I C -1.885 174.206 176.117 -0.044 0.000 1.056 287 I CA -0.626 60.616 61.300 -0.098 0.000 1.057 287 I CB 3.091 41.026 38.000 -0.108 0.000 1.240 287 I HN 0.605 8.743 8.210 -0.120 0.000 0.423 288 D N 5.390 125.783 120.400 -0.012 0.000 2.712 288 D HA -0.020 nan 4.640 nan 0.000 0.181 288 D C 1.106 177.435 176.300 0.048 0.000 1.434 288 D CA 2.027 56.041 54.000 0.024 0.000 1.446 288 D CB 0.690 41.514 40.800 0.041 0.000 1.609 288 D HN 0.333 8.692 8.370 -0.018 0.000 0.340 289 T N 3.984 118.569 114.554 0.052 0.000 2.737 289 T HA -0.292 nan 4.350 nan 0.000 0.269 289 T C 2.033 176.807 174.700 0.122 0.000 1.040 289 T CA 5.112 67.259 62.100 0.078 0.000 1.142 289 T CB -0.635 68.266 68.868 0.056 0.000 0.861 289 T HN 0.365 8.629 8.240 0.040 0.000 0.456 290 D N -0.577 119.880 120.400 0.095 0.000 2.144 290 D HA -0.117 nan 4.640 nan 0.000 0.200 290 D C 1.951 178.349 176.300 0.163 0.000 0.978 290 D CA 3.359 57.442 54.000 0.138 0.000 0.833 290 D CB -0.414 40.429 40.800 0.072 0.000 0.961 290 D HN 0.534 8.921 8.370 0.052 0.014 0.470 291 T N -1.410 113.205 114.554 0.101 0.000 2.985 291 T HA -0.077 nan 4.350 nan 0.000 0.266 291 T C 2.002 176.758 174.700 0.092 0.000 1.076 291 T CA 3.298 65.447 62.100 0.082 0.000 1.135 291 T CB -0.567 68.330 68.868 0.048 0.000 0.890 291 T HN -0.645 7.638 8.240 0.072 0.000 0.480 292 Q N 2.514 122.384 119.800 0.117 0.000 2.016 292 Q HA -0.327 nan 4.340 nan 0.000 0.200 292 Q C 1.749 177.854 176.000 0.175 0.000 0.978 292 Q CA 3.307 59.183 55.803 0.122 0.000 0.833 292 Q CB -0.188 28.619 28.738 0.116 0.000 0.895 292 Q HN -0.080 8.177 8.270 0.114 0.081 0.427 293 W N 0.119 121.481 121.300 0.103 0.000 2.355 293 W HA -0.436 nan 4.660 nan 0.000 0.309 293 W C 1.137 177.753 176.519 0.162 0.000 1.206 293 W CA 2.807 60.243 57.345 0.153 0.000 1.284 293 W CB 0.318 29.843 29.460 0.108 0.000 1.145 293 W HN -0.059 8.335 8.180 0.356 0.000 0.502 294 A N -2.098 120.670 122.820 -0.087 0.000 1.948 294 A HA -0.477 nan 4.320 nan 0.000 0.220 294 A C 2.413 179.882 177.584 -0.192 0.000 1.177 294 A CA 3.279 55.218 52.037 -0.162 0.000 0.636 294 A CB -0.774 18.237 19.000 0.018 0.000 0.815 294 A HN -0.067 8.181 8.150 0.165 0.000 0.449 295 T N 1.135 115.639 114.554 -0.083 0.000 2.708 295 T HA -0.254 nan 4.350 nan 0.000 0.266 295 T C 1.435 176.098 174.700 -0.062 0.000 1.037 295 T CA 4.744 66.825 62.100 -0.032 0.000 1.146 295 T CB -0.456 68.441 68.868 0.047 0.000 0.865 295 T HN -0.386 7.834 8.240 -0.021 0.008 0.435 296 W N 1.690 122.827 121.300 -0.271 0.000 2.381 296 W HA -0.423 nan 4.660 nan 0.000 0.301 296 W C 0.875 177.131 176.519 -0.437 0.000 1.205 296 W CA 2.350 59.508 57.345 -0.312 0.000 1.285 296 W CB 0.330 29.593 29.460 -0.329 0.000 1.133 296 W HN -0.376 7.823 8.180 0.031 0.000 0.521 297 E N -0.185 119.437 120.200 -0.962 0.000 2.097 297 E HA -0.474 nan 4.350 nan 0.000 0.196 297 E C 2.253 178.541 176.600 -0.520 0.000 1.000 297 E CA 3.665 59.538 56.400 -0.878 0.000 0.804 297 E CB -0.407 28.860 29.700 -0.721 0.000 0.740 297 E HN 0.447 8.233 8.360 -0.956 0.000 0.454 298 G N -1.472 107.112 108.800 -0.361 0.000 2.418 298 G HA2 -0.285 nan 3.960 nan 0.000 0.217 298 G HA3 -0.285 nan 3.960 nan 0.000 0.217 298 G C 1.633 176.426 174.900 -0.179 0.000 1.158 298 G CA 2.282 47.267 45.100 -0.191 0.000 0.771 298 G HN -0.399 7.677 8.290 -0.348 0.005 0.545 299 V N 3.668 123.395 119.914 -0.311 0.000 2.379 299 V HA -0.236 nan 4.120 nan 0.000 0.245 299 V C 1.807 177.650 176.094 -0.417 0.000 1.044 299 V CA 2.551 64.686 62.300 -0.274 0.000 1.036 299 V CB -0.439 31.208 31.823 -0.294 0.000 0.664 299 V HN -0.883 6.992 8.190 -0.383 0.084 0.453 300 L N 0.048 120.743 121.223 -0.879 0.000 1.989 300 L HA -0.462 nan 4.340 nan 0.000 0.211 300 L C 1.481 178.244 176.870 -0.178 0.000 1.071 300 L CA 3.873 58.335 54.840 -0.629 0.000 0.749 300 L CB -0.361 41.242 42.059 -0.760 0.000 0.890 300 L HN 0.456 7.957 8.230 -1.216 0.000 0.431 301 N N -1.657 116.946 118.700 -0.162 0.000 2.166 301 N HA -0.369 nan 4.740 nan 0.000 0.186 301 N C 2.360 177.877 175.510 0.011 0.000 1.019 301 N CA 2.812 55.834 53.050 -0.047 0.000 0.856 301 N CB -0.393 38.072 38.487 -0.038 0.000 0.993 301 N HN 0.013 8.233 8.380 -0.266 0.000 0.426 302 Y N 2.164 122.429 120.300 -0.060 0.000 2.181 302 Y HA -0.450 nan 4.550 nan 0.000 0.288 302 Y C 1.620 177.536 175.900 0.027 0.000 1.146 302 Y CA 3.881 61.985 58.100 0.005 0.000 1.164 302 Y CB 0.173 38.663 38.460 0.051 0.000 0.982 302 Y HN -0.429 7.848 8.280 0.118 0.074 0.515 303 Y N -0.287 119.987 120.300 -0.044 0.000 2.145 303 Y HA -0.554 nan 4.550 nan 0.000 0.286 303 Y C 0.893 176.718 175.900 -0.125 0.000 1.145 303 Y CA 3.447 61.486 58.100 -0.101 0.000 1.148 303 Y CB 0.080 38.497 38.460 -0.071 0.000 0.981 303 Y HN 0.034 8.453 8.280 0.231 0.000 0.507 304 K N -3.731 116.532 120.400 -0.228 0.000 2.097 304 K HA -0.360 nan 4.320 nan 0.000 0.206 304 K C 2.796 179.242 176.600 -0.257 0.000 1.049 304 K CA 2.709 58.835 56.287 -0.268 0.000 0.933 304 K CB -0.046 32.410 32.500 -0.073 0.000 0.717 304 K HN -0.350 7.896 8.250 -0.007 0.000 0.442 305 A N -1.883 120.805 122.820 -0.221 0.000 2.014 305 A HA -0.094 nan 4.320 nan 0.000 0.218 305 A C 0.760 178.203 177.584 -0.234 0.000 1.163 305 A CA 2.256 54.179 52.037 -0.189 0.000 0.652 305 A CB -0.188 18.722 19.000 -0.151 0.000 0.808 305 A HN -0.419 7.614 8.150 -0.195 0.000 0.449 306 N N -3.371 115.115 118.700 -0.357 0.000 2.351 306 N HA 0.260 nan 4.740 nan 0.000 0.254 306 N C -0.084 175.268 175.510 -0.263 0.000 1.241 306 N CA -0.273 52.600 53.050 -0.295 0.000 0.883 306 N CB 0.786 39.004 38.487 -0.449 0.000 1.202 306 N HN -0.478 7.510 8.380 -0.436 0.130 0.512 307 E N 2.802 122.757 120.200 -0.409 0.000 2.086 307 E HA -0.392 nan 4.350 nan 0.000 0.200 307 E C 0.770 177.213 176.600 -0.261 0.000 1.012 307 E CA 4.096 60.182 56.400 -0.525 0.000 0.812 307 E CB -0.141 29.226 29.700 -0.555 0.000 0.743 307 E HN -0.639 7.413 8.360 -0.410 0.061 0.453 308 A N -2.404 120.279 122.820 -0.229 0.000 2.178 308 A HA -0.106 nan 4.320 nan 0.000 0.218 308 A C 1.197 178.521 177.584 -0.435 0.000 1.157 308 A CA 1.959 53.809 52.037 -0.312 0.000 0.689 308 A CB -0.537 18.228 19.000 -0.391 0.000 0.787 308 A HN 0.225 8.253 8.150 -0.202 0.000 0.465 309 Y N -5.737 114.388 120.300 -0.292 0.000 2.507 309 Y HA 0.121 nan 4.550 nan 0.000 0.254 309 Y C -0.355 175.483 175.900 -0.104 0.000 1.171 309 Y CA 0.519 58.416 58.100 -0.339 0.000 1.238 309 Y CB 0.777 38.667 38.460 -0.950 0.000 1.148 309 Y HN -0.522 7.552 8.280 -0.056 0.171 0.525 310 L N -3.442 117.829 121.223 0.080 0.000 3.069 310 L HA 0.056 nan 4.340 nan 0.000 0.271 310 L C 0.907 177.865 176.870 0.147 0.000 1.201 310 L CA -0.115 54.834 54.840 0.182 0.000 1.015 310 L CB 0.390 42.593 42.059 0.240 0.000 1.371 310 L HN -0.629 7.427 8.230 -0.008 0.169 0.574 311 Q N -1.601 118.246 119.800 0.078 0.000 2.354 311 Q HA -0.016 nan 4.340 nan 0.000 0.203 311 Q C 0.430 176.449 176.000 0.031 0.000 0.933 311 Q CA 0.391 56.226 55.803 0.054 0.000 0.901 311 Q CB 0.470 29.218 28.738 0.017 0.000 1.007 311 Q HN -0.004 8.289 8.270 0.038 0.000 0.495 312 G N -2.172 106.651 108.800 0.040 0.000 2.649 312 G HA2 0.070 nan 3.960 nan 0.000 0.290 312 G HA3 0.070 nan 3.960 nan 0.000 0.290 312 G C -1.865 173.067 174.900 0.053 0.000 1.426 312 G CA -0.059 45.054 45.100 0.021 0.000 0.794 312 G HN -0.791 7.538 8.290 0.064 0.000 0.483 313 Q N -0.817 118.993 119.800 0.016 0.000 2.167 313 Q HA -0.058 nan 4.340 nan 0.000 0.202 313 Q C -0.738 175.388 176.000 0.211 0.000 0.970 313 Q CA 2.088 57.936 55.803 0.076 0.000 0.855 313 Q CB 0.252 28.994 28.738 0.007 0.000 0.911 313 Q HN 0.141 8.405 8.270 -0.010 0.000 0.438 314 L N -4.146 117.150 121.223 0.122 0.000 2.333 314 L HA 0.460 nan 4.340 nan 0.000 0.263 314 L C -1.117 175.791 176.870 0.062 0.000 1.014 314 L CA -1.378 53.528 54.840 0.109 0.000 0.820 314 L CB 3.338 45.444 42.059 0.079 0.000 1.352 314 L HN -0.766 7.494 8.230 0.076 0.016 0.421 315 G N 1.860 110.686 108.800 0.043 0.000 3.421 315 G HA2 -0.315 nan 3.960 nan 0.000 0.686 315 G HA3 -0.315 nan 3.960 nan 0.000 0.686 315 G C -2.635 172.219 174.900 -0.075 0.000 1.056 315 G CA -0.168 44.925 45.100 -0.012 0.000 0.891 315 G HN 0.675 9.003 8.290 0.063 0.000 0.514 316 N N 1.658 120.274 118.700 -0.140 0.000 3.277 316 N HA 0.347 nan 4.740 nan 0.000 0.278 316 N C -1.690 173.638 175.510 -0.302 0.000 1.544 316 N CA -1.287 51.552 53.050 -0.351 0.000 0.869 316 N CB -0.749 37.435 38.487 -0.504 0.000 1.584 316 N HN -0.425 7.899 8.380 -0.095 0.000 0.564 317 P HA -0.180 nan 4.420 nan 0.000 0.220 317 P C -0.118 177.119 177.300 -0.105 0.000 1.144 317 P CA 2.260 65.223 63.100 -0.227 0.000 0.800 317 P CB 0.065 31.624 31.700 -0.234 0.000 0.772 318 K N -4.921 115.439 120.400 -0.067 0.000 2.365 318 K HA -0.005 nan 4.320 nan 0.000 0.197 318 K C 0.134 176.733 176.600 -0.002 0.000 1.042 318 K CA 0.244 56.533 56.287 0.003 0.000 0.987 318 K CB 0.737 33.276 32.500 0.066 0.000 0.779 318 K HN -0.096 8.326 8.250 -0.102 -0.233 0.484 319 G N -1.864 106.923 108.800 -0.022 0.000 2.386 319 G HA2 -0.054 nan 3.960 nan 0.000 0.302 319 G HA3 -0.054 nan 3.960 nan 0.000 0.302 319 G C -1.165 173.726 174.900 -0.014 0.000 1.629 319 G CA -0.268 44.825 45.100 -0.011 0.000 0.917 319 G HN -0.680 7.558 8.290 -0.051 0.022 0.676 320 E N 0.692 120.885 120.200 -0.012 0.000 2.209 320 E HA -0.243 nan 4.350 nan 0.000 0.196 320 E C -0.614 175.992 176.600 0.009 0.000 0.993 320 E CA 2.177 58.571 56.400 -0.009 0.000 0.819 320 E CB 0.096 29.793 29.700 -0.006 0.000 0.745 320 E HN 0.412 8.766 8.360 -0.011 0.000 0.477 321 D N -5.208 115.203 120.400 0.019 0.000 2.402 321 D HA 0.038 nan 4.640 nan 0.000 0.216 321 D C -0.807 175.523 176.300 0.050 0.000 1.128 321 D CA -0.619 53.401 54.000 0.034 0.000 0.833 321 D CB -0.810 40.007 40.800 0.029 0.000 0.971 321 D HN -0.242 8.099 8.370 0.015 0.038 0.503 322 Q N 0.929 120.761 119.800 0.054 0.000 2.288 322 Q HA 0.365 nan 4.340 nan 0.000 0.254 322 Q C -1.737 174.333 176.000 0.116 0.000 0.932 322 Q CA -2.270 53.582 55.803 0.081 0.000 0.902 322 Q CB -0.205 28.584 28.738 0.085 0.000 1.203 322 Q HN -0.468 7.662 8.270 0.038 0.163 0.415 323 P HA 0.154 nan 4.420 nan 0.000 0.276 323 P C -0.967 176.473 177.300 0.234 0.000 1.230 323 P CA -0.153 63.049 63.100 0.170 0.000 0.776 323 P CB 0.470 32.246 31.700 0.126 0.000 0.888 324 N N 2.069 120.955 118.700 0.310 0.000 2.235 324 N HA 0.073 nan 4.740 nan 0.000 0.209 324 N C 0.979 176.554 175.510 0.108 0.000 1.122 324 N CA -0.381 52.915 53.050 0.409 0.000 0.845 324 N CB 0.305 39.077 38.487 0.475 0.000 1.004 324 N HN 0.255 8.850 8.380 0.357 0.000 0.499 325 K N 1.457 121.738 120.400 -0.198 0.000 2.077 325 K HA -0.482 nan 4.320 nan 0.000 0.213 325 K C 1.140 177.399 176.600 -0.567 0.000 1.051 325 K CA 4.237 60.080 56.287 -0.740 0.000 0.929 325 K CB -0.165 32.187 32.500 -0.246 0.000 0.715 325 K HN 0.105 8.292 8.250 0.041 0.087 0.451 326 K N -4.173 116.052 120.400 -0.292 0.000 2.360 326 K HA -0.231 nan 4.320 nan 0.000 0.201 326 K C 1.482 177.874 176.600 -0.346 0.000 1.046 326 K CA 2.332 58.419 56.287 -0.333 0.000 0.945 326 K CB -0.713 31.541 32.500 -0.410 0.000 0.750 326 K HN -0.041 8.099 8.250 -0.184 0.000 0.464 327 Y N -2.568 117.710 120.300 -0.035 0.000 2.301 327 Y HA -0.170 nan 4.550 nan 0.000 0.295 327 Y C 2.208 178.324 175.900 0.361 0.000 1.126 327 Y CA 2.651 60.860 58.100 0.182 0.000 1.154 327 Y CB 1.005 39.572 38.460 0.177 0.000 1.075 327 Y HN -0.336 7.801 8.280 0.033 0.163 0.534 328 Y N -3.482 117.098 120.300 0.467 0.000 2.529 328 Y HA -0.048 nan 4.550 nan 0.000 0.290 328 Y C -0.256 175.960 175.900 0.527 0.000 1.177 328 Y CA -1.873 56.513 58.100 0.477 0.000 1.305 328 Y CB -0.795 37.865 38.460 0.334 0.000 1.047 328 Y HN -0.398 7.945 8.280 0.103 0.000 0.522 329 D N 3.515 124.073 120.400 0.264 0.000 2.502 329 D HA -0.031 nan 4.640 nan 0.000 0.249 329 D C -0.754 175.529 176.300 -0.027 0.000 1.188 329 D CA -1.069 53.003 54.000 0.119 0.000 0.890 329 D CB 0.270 41.037 40.800 -0.056 0.000 1.140 329 D HN -0.767 7.564 8.370 0.031 0.058 0.505 330 P HA -0.283 nan 4.420 nan 0.000 0.217 330 P C 1.156 177.923 177.300 -0.888 0.000 1.151 330 P CA 2.323 64.825 63.100 -0.997 0.000 0.849 330 P CB 0.195 31.576 31.700 -0.532 0.000 0.787 331 R N -3.272 116.969 120.500 -0.433 0.000 2.127 331 R HA -0.316 nan 4.340 nan 0.000 0.238 331 R C 2.822 178.939 176.300 -0.305 0.000 1.134 331 R CA 3.297 59.212 56.100 -0.310 0.000 0.975 331 R CB -0.328 29.864 30.300 -0.181 0.000 0.865 331 R HN -0.350 7.969 8.270 -0.300 -0.229 0.447 332 V N -0.429 119.303 119.914 -0.303 0.000 2.255 332 V HA -0.246 nan 4.120 nan 0.000 0.243 332 V C 1.858 177.721 176.094 -0.385 0.000 1.038 332 V CA 4.096 66.240 62.300 -0.261 0.000 1.008 332 V CB -0.681 31.062 31.823 -0.134 0.000 0.645 332 V HN -0.031 7.849 8.190 -0.291 0.135 0.449 333 W N -2.613 118.417 121.300 -0.451 0.000 2.467 333 W HA -0.219 nan 4.660 nan 0.000 0.275 333 W C 1.955 178.328 176.519 -0.243 0.000 1.239 333 W CA 1.646 58.679 57.345 -0.521 0.000 1.266 333 W CB -0.884 28.373 29.460 -0.337 0.000 1.112 333 W HN -0.751 7.190 8.180 -0.398 0.000 0.576 334 L N 0.552 121.561 121.223 -0.357 0.000 2.141 334 L HA -0.416 nan 4.340 nan 0.000 0.209 334 L C 2.282 179.073 176.870 -0.132 0.000 1.094 334 L CA 2.831 57.530 54.840 -0.235 0.000 0.763 334 L CB -0.713 41.110 42.059 -0.393 0.000 0.908 334 L HN 0.440 8.225 8.230 -0.742 0.000 0.437 335 R N -0.451 119.950 120.500 -0.166 0.000 2.092 335 R HA -0.270 nan 4.340 nan 0.000 0.231 335 R C 1.682 177.937 176.300 -0.074 0.000 1.119 335 R CA 2.203 58.241 56.100 -0.104 0.000 0.970 335 R CB -1.058 29.176 30.300 -0.110 0.000 0.864 335 R HN -0.560 7.558 8.270 -0.239 0.009 0.440 336 A N -2.145 120.614 122.820 -0.102 0.000 1.933 336 A HA -0.166 nan 4.320 nan 0.000 0.218 336 A C 2.154 179.715 177.584 -0.038 0.000 1.175 336 A CA 3.122 55.123 52.037 -0.061 0.000 0.628 336 A CB -0.961 17.990 19.000 -0.082 0.000 0.814 336 A HN -0.301 7.668 8.150 -0.162 0.084 0.444 337 G N -2.380 106.405 108.800 -0.026 0.000 2.418 337 G HA2 -0.384 nan 3.960 nan 0.000 0.217 337 G HA3 -0.384 nan 3.960 nan 0.000 0.217 337 G C 1.488 176.381 174.900 -0.011 0.000 1.158 337 G CA 1.719 46.810 45.100 -0.015 0.000 0.771 337 G HN -0.217 7.983 8.290 -0.019 0.079 0.545 338 Q N 1.310 121.106 119.800 -0.007 0.000 2.084 338 Q HA -0.372 nan 4.340 nan 0.000 0.202 338 Q C 2.743 178.748 176.000 0.008 0.000 0.978 338 Q CA 3.545 59.352 55.803 0.007 0.000 0.844 338 Q CB -0.045 28.698 28.738 0.009 0.000 0.898 338 Q HN -0.208 7.976 8.270 -0.017 0.076 0.426 339 T N 2.767 117.320 114.554 -0.001 0.000 2.720 339 T HA -0.326 nan 4.350 nan 0.000 0.268 339 T C 2.186 176.889 174.700 0.005 0.000 1.037 339 T CA 4.987 67.090 62.100 0.005 0.000 1.144 339 T CB -0.762 68.106 68.868 0.001 0.000 0.864 339 T HN 0.255 8.488 8.240 -0.011 0.000 0.444 340 S N 1.959 117.652 115.700 -0.012 0.000 2.368 340 S HA -0.246 nan 4.470 nan 0.000 0.224 340 S C 1.626 176.223 174.600 -0.004 0.000 1.029 340 S CA 3.644 61.831 58.200 -0.022 0.000 0.988 340 S CB -0.222 62.933 63.200 -0.074 0.000 0.838 340 S HN -0.431 7.866 8.310 -0.021 0.000 0.462 341 M N 2.740 122.341 119.600 0.001 0.000 2.175 341 M HA -0.300 nan 4.480 nan 0.000 0.264 341 M C 1.939 178.267 176.300 0.046 0.000 1.063 341 M CA 3.767 59.082 55.300 0.024 0.000 1.119 341 M CB 0.057 32.674 32.600 0.028 0.000 1.377 341 M HN -0.436 7.780 8.290 -0.007 0.071 0.415 342 I N -0.697 119.899 120.570 0.043 0.000 2.226 342 I HA -0.561 nan 4.170 nan 0.000 0.245 342 I C 1.358 177.512 176.117 0.062 0.000 1.100 342 I CA 3.876 65.210 61.300 0.057 0.000 1.374 342 I CB -0.459 37.566 38.000 0.041 0.000 1.057 342 I HN 0.226 8.376 8.210 0.031 0.079 0.413 343 A N -0.985 121.862 122.820 0.046 0.000 1.933 343 A HA -0.298 nan 4.320 nan 0.000 0.218 343 A C 1.944 179.566 177.584 0.063 0.000 1.175 343 A CA 3.211 55.276 52.037 0.048 0.000 0.628 343 A CB -0.879 18.143 19.000 0.037 0.000 0.814 343 A HN -0.180 7.991 8.150 0.035 0.000 0.444 344 R N -1.295 119.245 120.500 0.066 0.000 2.073 344 R HA -0.180 nan 4.340 nan 0.000 0.229 344 R C 2.191 178.538 176.300 0.078 0.000 1.120 344 R CA 1.768 57.914 56.100 0.075 0.000 0.967 344 R CB -0.302 30.049 30.300 0.084 0.000 0.862 344 R HN -0.650 7.654 8.270 0.057 0.000 0.436 345 L N -0.289 120.989 121.223 0.092 0.000 2.083 345 L HA -0.280 nan 4.340 nan 0.000 0.209 345 L C 1.420 178.437 176.870 0.244 0.000 1.083 345 L CA 2.876 57.789 54.840 0.121 0.000 0.752 345 L CB -0.432 41.717 42.059 0.150 0.000 0.899 345 L HN 0.092 8.374 8.230 0.086 0.000 0.433 346 E N -0.904 119.429 120.200 0.221 0.000 2.118 346 E HA -0.453 nan 4.350 nan 0.000 0.195 346 E C 2.215 178.929 176.600 0.190 0.000 0.992 346 E CA 3.806 60.337 56.400 0.219 0.000 0.804 346 E CB -0.278 29.476 29.700 0.090 0.000 0.741 346 E HN -0.035 8.416 8.360 0.152 0.000 0.458 347 K N -2.137 118.336 120.400 0.122 0.000 2.097 347 K HA -0.254 nan 4.320 nan 0.000 0.205 347 K C 2.022 178.665 176.600 0.071 0.000 1.050 347 K CA 2.779 59.116 56.287 0.083 0.000 0.938 347 K CB -0.362 32.173 32.500 0.059 0.000 0.718 347 K HN -0.726 7.489 8.250 0.107 0.099 0.442 348 A N 0.003 122.852 122.820 0.049 0.000 1.877 348 A HA -0.194 nan 4.320 nan 0.000 0.216 348 A C 2.182 179.742 177.584 -0.041 0.000 1.186 348 A CA 2.966 54.976 52.037 -0.045 0.000 0.620 348 A CB -0.905 18.010 19.000 -0.142 0.000 0.822 348 A HN -0.612 7.476 8.150 0.066 0.102 0.443 349 F N -2.198 117.747 119.950 -0.010 0.000 2.126 349 F HA -0.472 nan 4.527 nan 0.000 0.299 349 F C 2.143 177.933 175.800 -0.017 0.000 1.096 349 F CA 4.625 62.615 58.000 -0.017 0.000 1.255 349 F CB -0.300 38.678 39.000 -0.037 0.000 0.997 349 F HN -0.280 8.150 8.300 0.217 0.000 0.479 350 Q N -1.731 118.178 119.800 0.181 0.000 2.050 350 Q HA -0.364 nan 4.340 nan 0.000 0.202 350 Q C 3.164 179.205 176.000 0.069 0.000 0.980 350 Q CA 3.400 59.260 55.803 0.096 0.000 0.840 350 Q CB -0.330 28.450 28.738 0.070 0.000 0.898 350 Q HN -0.272 8.031 8.270 0.201 0.088 0.424 351 E N -0.731 119.501 120.200 0.053 0.000 2.204 351 E HA -0.253 nan 4.350 nan 0.000 0.194 351 E C 1.541 178.167 176.600 0.044 0.000 0.989 351 E CA 2.308 58.729 56.400 0.035 0.000 0.824 351 E CB 0.043 29.751 29.700 0.012 0.000 0.756 351 E HN -0.268 8.123 8.360 0.053 0.000 0.477 352 L N -4.821 116.433 121.223 0.052 0.000 2.591 352 L HA 0.110 nan 4.340 nan 0.000 0.228 352 L C -0.703 176.252 176.870 0.143 0.000 1.133 352 L CA -0.527 54.362 54.840 0.081 0.000 0.880 352 L CB -0.095 41.996 42.059 0.053 0.000 1.033 352 L HN -0.298 7.846 8.230 0.046 0.114 0.450 353 N N -1.891 116.876 118.700 0.112 0.000 2.782 353 N HA -0.361 nan 4.740 nan 0.000 0.251 353 N C -0.951 174.594 175.510 0.058 0.000 1.101 353 N CA 1.161 54.275 53.050 0.106 0.000 0.764 353 N CB -0.733 37.841 38.487 0.145 0.000 1.122 353 N HN -0.282 7.957 8.380 0.088 0.194 0.561 354 A N -0.772 122.076 122.820 0.046 0.000 3.157 354 A HA 0.204 nan 4.320 nan 0.000 0.276 354 A C -1.415 176.099 177.584 -0.117 0.000 1.524 354 A CA -1.058 50.889 52.037 -0.149 0.000 1.236 354 A CB -0.387 18.673 19.000 0.099 0.000 1.173 354 A HN -0.046 8.141 8.150 0.119 0.035 0.595 355 I N -0.384 120.079 120.570 -0.178 0.000 2.466 355 I HA 0.122 nan 4.170 nan 0.000 0.289 355 I C -0.288 175.715 176.117 -0.190 0.000 1.026 355 I CA -1.818 59.386 61.300 -0.160 0.000 1.078 355 I CB 1.385 39.336 38.000 -0.082 0.000 1.249 355 I HN -0.637 7.406 8.210 -0.197 0.049 0.429 356 D N 7.030 127.308 120.400 -0.204 0.000 2.746 356 D HA -0.306 nan 4.640 nan 0.000 0.241 356 D C -0.248 175.932 176.300 -0.200 0.000 1.140 356 D CA 1.585 55.479 54.000 -0.176 0.000 0.707 356 D CB -0.734 39.998 40.800 -0.113 0.000 1.034 356 D HN 0.607 8.843 8.370 -0.223 0.000 0.423 357 V N -8.900 110.840 119.914 -0.291 0.000 3.427 357 V HA 0.374 nan 4.120 nan 0.000 0.305 357 V C -0.684 175.264 176.094 -0.242 0.000 1.412 357 V CA -0.662 61.458 62.300 -0.300 0.000 1.086 357 V CB -0.054 31.370 31.823 -0.664 0.000 0.964 357 V HN -0.110 7.886 8.190 -0.324 0.000 0.439 358 L N 0.000 121.029 121.223 -0.323 0.000 2.949 358 L HA 0.000 nan 4.340 nan 0.000 0.249 358 L CA 0.000 54.518 54.840 -0.536 0.000 0.813 358 L CB 0.000 41.495 42.059 -0.941 0.000 0.961 358 L HN 0.000 7.989 8.230 -0.301 0.060 0.502