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 1ypn_1_A DATA FIRST_RESID 3 DATA SEQUENCE DNVLRIATRQ SPLALWQAHY VKDKLMASHP GLVVELVPMV TRGDVXXXXX DATA SEQUENCE XXXXXGQGLF VKELEVALLE NRADIAVHSM KDVPVEFPQG LGLVTICERE DATA SEQUENCE DPRDAFVSNN YDSLDALPAG SIVGTSSLRR QCQLAERRPD LIIRSLRGNV DATA SEQUENCE GTRLSKLDNG EYDAIILAVA GLKRLGLESR IRAALPPEIS LPAVGQGAVG DATA SEQUENCE IECRLDDSRT RELLAALNHH ETALRVTAER AMNTRLEGGC QVPIGSYAEL DATA SEQUENCE IDGEIWLRAL VGAPDGSQII RGERRGAPQD AEQMGISLAE ELLNNGAREI DATA SEQUENCE LAEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.284 176.300 -0.026 0.000 2.045 3 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 3 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 4 N N 0.103 118.782 118.700 -0.035 0.000 2.776 4 N HA -0.161 4.575 4.740 -0.006 0.000 0.250 4 N C -1.709 173.777 175.510 -0.040 0.000 1.112 4 N CA 1.032 54.058 53.050 -0.040 0.000 0.733 4 N CB -0.892 37.578 38.487 -0.028 0.000 1.097 4 N HN 0.132 nan 8.380 nan 0.000 0.558 5 V N 0.861 120.750 119.914 -0.041 0.000 2.623 5 V HA 0.579 4.696 4.120 -0.006 0.000 0.304 5 V C -0.454 175.613 176.094 -0.045 0.000 1.054 5 V CA -0.767 61.510 62.300 -0.039 0.000 0.882 5 V CB 1.768 33.573 31.823 -0.029 0.000 1.002 5 V HN 0.151 nan 8.190 nan 0.000 0.424 6 L N 6.039 127.232 121.223 -0.050 0.000 2.319 6 L HA 0.628 4.965 4.340 -0.006 0.000 0.281 6 L C 0.045 176.886 176.870 -0.047 0.000 1.005 6 L CA -0.051 54.758 54.840 -0.052 0.000 0.828 6 L CB 1.202 43.223 42.059 -0.065 0.000 1.227 6 L HN 0.571 nan 8.230 nan 0.000 0.415 7 R N 5.919 126.394 120.500 -0.040 0.000 2.297 7 R HA 0.580 4.916 4.340 -0.006 0.000 0.308 7 R C -0.945 175.330 176.300 -0.042 0.000 1.029 7 R CA -0.491 55.586 56.100 -0.039 0.000 0.929 7 R CB 1.282 31.565 30.300 -0.029 0.000 1.046 7 R HN 0.581 nan 8.270 nan 0.000 0.461 8 I N 2.466 123.005 120.570 -0.052 0.000 2.382 8 I HA 0.296 4.462 4.170 -0.006 0.000 0.286 8 I C 0.078 176.162 176.117 -0.056 0.000 1.002 8 I CA -0.731 60.534 61.300 -0.058 0.000 1.135 8 I CB 1.821 39.775 38.000 -0.076 0.000 1.288 8 I HN 0.633 nan 8.210 nan 0.000 0.448 9 A N 4.637 127.427 122.820 -0.050 0.000 2.331 9 A HA 0.729 5.046 4.320 -0.006 0.000 0.283 9 A C -0.025 177.517 177.584 -0.070 0.000 1.142 9 A CA -0.121 51.889 52.037 -0.045 0.000 0.812 9 A CB 1.069 20.053 19.000 -0.027 0.000 1.074 9 A HN 0.683 nan 8.150 nan 0.000 0.497 10 T N 1.294 115.818 114.554 -0.051 0.000 2.840 10 T HA 0.450 4.797 4.350 -0.006 0.000 0.317 10 T C -0.222 174.472 174.700 -0.010 0.000 1.401 10 T CA -0.704 61.366 62.100 -0.050 0.000 1.028 10 T CB 0.829 69.670 68.868 -0.046 0.000 1.317 10 T HN 0.801 nan 8.240 nan 0.000 0.495 11 R N 1.126 121.632 120.500 0.010 0.000 2.822 11 R HA 0.270 4.607 4.340 -0.006 0.000 0.277 11 R C 1.072 177.392 176.300 0.034 0.000 1.102 11 R CA -0.162 55.963 56.100 0.041 0.000 1.207 11 R CB 0.242 30.578 30.300 0.061 0.000 1.139 11 R HN 0.697 nan 8.270 nan 0.000 0.557 12 Q N -0.286 119.540 119.800 0.042 0.000 2.175 12 Q HA 0.136 4.472 4.340 -0.006 0.000 0.225 12 Q C -0.431 175.596 176.000 0.045 0.000 0.837 12 Q CA -0.331 55.496 55.803 0.040 0.000 1.032 12 Q CB 0.886 29.645 28.738 0.035 0.000 1.137 12 Q HN 0.496 nan 8.270 nan 0.000 0.483 13 S N 0.044 115.770 115.700 0.043 0.000 2.632 13 S HA 0.309 4.775 4.470 -0.006 0.000 0.267 13 S C -1.858 172.774 174.600 0.053 0.000 1.276 13 S CA -1.016 57.206 58.200 0.037 0.000 0.998 13 S CB 1.204 64.413 63.200 0.015 0.000 0.953 13 S HN -0.141 nan 8.310 nan 0.000 0.547 14 P HA -0.123 nan 4.420 nan 0.000 0.215 14 P C 1.613 178.984 177.300 0.119 0.000 1.157 14 P CA 0.654 63.801 63.100 0.078 0.000 0.874 14 P CB -0.028 31.702 31.700 0.049 0.000 0.790 15 L N -0.560 120.706 121.223 0.072 0.000 2.056 15 L HA -0.032 4.304 4.340 -0.006 0.000 0.207 15 L C 2.197 179.162 176.870 0.158 0.000 1.078 15 L CA 1.927 56.818 54.840 0.085 0.000 0.749 15 L CB -1.654 40.390 42.059 -0.025 0.000 0.901 15 L HN -0.131 nan 8.230 nan 0.000 0.433 16 A N -0.605 122.273 122.820 0.096 0.000 1.902 16 A HA -0.180 4.136 4.320 -0.006 0.000 0.217 16 A C 2.241 179.902 177.584 0.129 0.000 1.181 16 A CA 2.006 54.099 52.037 0.094 0.000 0.623 16 A CB -0.871 18.157 19.000 0.047 0.000 0.818 16 A HN 0.491 nan 8.150 nan 0.000 0.443 17 L N -2.841 118.466 121.223 0.140 0.000 2.217 17 L HA -0.131 4.205 4.340 -0.006 0.000 0.211 17 L C 2.361 179.372 176.870 0.235 0.000 1.107 17 L CA 1.043 55.970 54.840 0.144 0.000 0.783 17 L CB -0.367 41.778 42.059 0.144 0.000 0.919 17 L HN 0.752 nan 8.230 nan 0.000 0.442 18 W N 0.955 122.318 121.300 0.105 0.000 2.381 18 W HA -0.199 4.457 4.660 -0.007 0.000 0.301 18 W C 2.514 179.120 176.519 0.145 0.000 1.205 18 W CA 1.329 58.746 57.345 0.120 0.000 1.285 18 W CB 0.037 29.525 29.460 0.047 0.000 1.133 18 W HN 0.097 nan 8.180 nan 0.000 0.521 19 Q N -0.094 119.983 119.800 0.462 0.000 2.119 19 Q HA -0.150 4.186 4.340 -0.006 0.000 0.201 19 Q C 2.428 178.509 176.000 0.136 0.000 0.972 19 Q CA 1.575 57.592 55.803 0.357 0.000 0.847 19 Q CB -0.598 28.333 28.738 0.321 0.000 0.903 19 Q HN 0.373 nan 8.270 nan 0.000 0.433 20 A N 0.607 123.457 122.820 0.049 0.000 1.877 20 A HA -0.228 4.088 4.320 -0.006 0.000 0.216 20 A C 1.564 179.062 177.584 -0.143 0.000 1.186 20 A CA 1.710 53.708 52.037 -0.066 0.000 0.620 20 A CB -0.821 18.104 19.000 -0.126 0.000 0.822 20 A HN 0.380 nan 8.150 nan 0.000 0.443 21 H N -2.939 116.052 119.070 -0.132 0.000 2.387 21 H HA -0.143 4.410 4.556 -0.005 0.000 0.299 21 H C 1.911 177.078 175.328 -0.269 0.000 1.090 21 H CA 2.052 57.980 56.048 -0.199 0.000 1.332 21 H CB -0.227 29.393 29.762 -0.235 0.000 1.386 21 H HN 0.687 nan 8.280 nan 0.000 0.516 22 Y N 0.915 120.974 120.300 -0.403 0.000 2.097 22 Y HA -0.277 4.269 4.550 -0.006 0.000 0.282 22 Y C 2.272 178.055 175.900 -0.195 0.000 1.152 22 Y CA 1.540 59.363 58.100 -0.462 0.000 1.136 22 Y CB -0.780 37.278 38.460 -0.670 0.000 0.975 22 Y HN -0.023 nan 8.280 nan 0.000 0.498 23 V N 1.440 121.176 119.914 -0.297 0.000 2.295 23 V HA -0.332 3.784 4.120 -0.006 0.000 0.246 23 V C 2.488 178.444 176.094 -0.230 0.000 1.049 23 V CA 2.398 64.519 62.300 -0.298 0.000 1.024 23 V CB -0.897 30.878 31.823 -0.081 0.000 0.648 23 V HN 0.456 nan 8.190 nan 0.000 0.447 24 K N 0.002 120.301 120.400 -0.167 0.000 2.074 24 K HA -0.262 4.054 4.320 -0.006 0.000 0.209 24 K C 1.817 178.350 176.600 -0.112 0.000 1.048 24 K CA 2.150 58.364 56.287 -0.123 0.000 0.926 24 K CB -0.283 32.144 32.500 -0.121 0.000 0.713 24 K HN 0.465 nan 8.250 nan 0.000 0.444 25 D N 0.540 120.855 120.400 -0.143 0.000 2.117 25 D HA -0.116 4.520 4.640 -0.006 0.000 0.198 25 D C 1.788 178.000 176.300 -0.147 0.000 0.982 25 D CA 0.933 54.857 54.000 -0.126 0.000 0.828 25 D CB 0.046 40.768 40.800 -0.130 0.000 0.967 25 D HN 0.172 nan 8.370 nan 0.000 0.464 26 K N 0.685 120.941 120.400 -0.240 0.000 2.211 26 K HA -0.023 4.294 4.320 -0.006 0.000 0.203 26 K C 2.355 178.893 176.600 -0.104 0.000 1.050 26 K CA 0.191 56.355 56.287 -0.205 0.000 0.945 26 K CB -0.496 31.812 32.500 -0.321 0.000 0.732 26 K HN 0.257 nan 8.250 nan 0.000 0.451 27 L N 0.131 121.307 121.223 -0.079 0.000 2.044 27 L HA -0.090 4.247 4.340 -0.006 0.000 0.205 27 L C 2.363 179.264 176.870 0.052 0.000 1.075 27 L CA 0.751 55.605 54.840 0.023 0.000 0.747 27 L CB -0.310 41.748 42.059 -0.002 0.000 0.903 27 L HN 0.079 nan 8.230 nan 0.000 0.435 28 M N -0.550 119.048 119.600 -0.003 0.000 2.159 28 M HA -0.162 4.314 4.480 -0.006 0.000 0.263 28 M C 2.545 178.837 176.300 -0.012 0.000 1.063 28 M CA 1.833 57.135 55.300 0.004 0.000 1.110 28 M CB -1.463 31.128 32.600 -0.015 0.000 1.374 28 M HN 0.284 nan 8.290 nan 0.000 0.411 29 A N -0.136 122.659 122.820 -0.041 0.000 1.883 29 A HA -0.139 4.177 4.320 -0.006 0.000 0.217 29 A C 2.467 179.998 177.584 -0.087 0.000 1.186 29 A CA 2.366 54.368 52.037 -0.057 0.000 0.624 29 A CB -0.839 18.121 19.000 -0.066 0.000 0.822 29 A HN 0.520 nan 8.150 nan 0.000 0.444 30 S N -1.237 114.385 115.700 -0.129 0.000 2.470 30 S HA 0.032 4.499 4.470 -0.006 0.000 0.225 30 S C 0.025 174.327 174.600 -0.497 0.000 1.006 30 S CA 0.534 58.555 58.200 -0.299 0.000 0.934 30 S CB -0.171 62.820 63.200 -0.347 0.000 0.778 30 S HN 0.748 nan 8.310 nan 0.000 0.517 31 H N -0.168 118.884 119.070 -0.030 0.000 2.854 31 H HA 0.300 4.853 4.556 -0.007 0.000 0.275 31 H C -2.325 172.987 175.328 -0.026 0.000 1.198 31 H CA -1.572 54.460 56.048 -0.026 0.000 1.489 31 H CB 1.202 30.947 29.762 -0.027 0.000 1.519 31 H HN -0.003 nan 8.280 nan 0.000 0.503 32 P HA -0.114 nan 4.420 nan 0.000 0.218 32 P C 1.252 178.568 177.300 0.027 0.000 1.148 32 P CA 1.223 64.336 63.100 0.022 0.000 0.822 32 P CB 0.452 32.155 31.700 0.005 0.000 0.784 33 G N -0.882 107.942 108.800 0.039 0.000 4.486 33 G HA2 0.389 4.345 3.960 -0.006 0.000 0.306 33 G HA3 0.389 4.345 3.960 -0.006 0.000 0.306 33 G C -0.778 174.132 174.900 0.017 0.000 1.331 33 G CA 0.002 45.116 45.100 0.023 0.000 1.113 33 G HN 0.115 nan 8.290 nan 0.000 0.594 34 L N 0.856 122.090 121.223 0.019 0.000 2.322 34 L HA 0.660 4.996 4.340 -0.006 0.000 0.281 34 L C -0.470 176.391 176.870 -0.014 0.000 1.014 34 L CA -0.853 53.983 54.840 -0.007 0.000 0.815 34 L CB 2.229 44.280 42.059 -0.013 0.000 1.247 34 L HN -0.096 nan 8.230 nan 0.000 0.421 35 V N 6.070 125.970 119.914 -0.023 0.000 2.368 35 V HA 0.341 4.458 4.120 -0.006 0.000 0.266 35 V C -0.177 175.898 176.094 -0.032 0.000 1.045 35 V CA -0.573 61.714 62.300 -0.023 0.000 0.899 35 V CB 1.194 33.004 31.823 -0.020 0.000 1.006 35 V HN 0.525 nan 8.190 nan 0.000 0.470 36 V N 5.534 125.427 119.914 -0.035 0.000 2.370 36 V HA 0.383 4.500 4.120 -0.006 0.000 0.279 36 V C 0.153 176.217 176.094 -0.051 0.000 1.029 36 V CA -0.581 61.691 62.300 -0.048 0.000 0.870 36 V CB 1.256 33.045 31.823 -0.056 0.000 0.984 36 V HN 0.890 nan 8.190 nan 0.000 0.451 37 E N 4.905 125.074 120.200 -0.051 0.000 2.179 37 E HA 0.569 4.915 4.350 -0.006 0.000 0.275 37 E C -1.101 175.461 176.600 -0.065 0.000 0.945 37 E CA -0.682 55.688 56.400 -0.050 0.000 0.792 37 E CB 2.349 32.027 29.700 -0.036 0.000 1.125 37 E HN 0.519 nan 8.360 nan 0.000 0.397 38 L N 2.592 123.769 121.223 -0.076 0.000 2.312 38 L HA 0.378 4.715 4.340 -0.006 0.000 0.281 38 L C -0.445 176.392 176.870 -0.056 0.000 1.070 38 L CA -0.889 53.898 54.840 -0.090 0.000 0.805 38 L CB 1.228 43.207 42.059 -0.134 0.000 1.174 38 L HN 0.332 nan 8.230 nan 0.000 0.434 39 V N 3.950 123.836 119.914 -0.048 0.000 2.315 39 V HA 0.238 4.354 4.120 -0.006 0.000 0.265 39 V C -2.061 174.018 176.094 -0.024 0.000 1.019 39 V CA -1.338 60.945 62.300 -0.029 0.000 0.824 39 V CB 0.827 32.637 31.823 -0.023 0.000 1.072 39 V HN 0.615 nan 8.190 nan 0.000 0.448 40 P HA 0.486 nan 4.420 nan 0.000 0.274 40 P C -0.726 176.576 177.300 0.005 0.000 1.231 40 P CA -0.235 62.861 63.100 -0.008 0.000 0.790 40 P CB 1.510 33.209 31.700 -0.002 0.000 0.951 41 M N 0.243 119.851 119.600 0.014 0.000 2.643 41 M HA 0.428 4.904 4.480 -0.006 0.000 0.276 41 M C -1.378 174.945 176.300 0.038 0.000 1.200 41 M CA -1.215 54.099 55.300 0.023 0.000 0.863 41 M CB 1.484 34.096 32.600 0.020 0.000 1.711 41 M HN 0.016 nan 8.290 nan 0.000 0.492 42 V N 1.525 121.463 119.914 0.041 0.000 3.083 42 V HA 0.823 4.940 4.120 -0.006 0.000 0.306 42 V C -0.100 176.032 176.094 0.064 0.000 1.077 42 V CA 0.559 62.892 62.300 0.055 0.000 1.073 42 V CB 1.935 33.784 31.823 0.044 0.000 1.081 42 V HN 1.105 nan 8.190 nan 0.000 0.474 43 T N 1.503 116.108 114.554 0.084 0.000 2.906 43 T HA 0.587 4.934 4.350 -0.006 0.000 0.295 43 T C 0.875 175.592 174.700 0.029 0.000 1.075 43 T CA -0.015 62.131 62.100 0.076 0.000 1.005 43 T CB 1.702 70.661 68.868 0.153 0.000 1.136 43 T HN 0.890 nan 8.240 nan 0.000 0.498 44 R N 0.804 121.284 120.500 -0.034 0.000 2.103 44 R HA 0.064 4.400 4.340 -0.006 0.000 0.242 44 R C 2.610 178.835 176.300 -0.124 0.000 1.142 44 R CA 2.545 58.599 56.100 -0.077 0.000 0.960 44 R CB -2.042 28.195 30.300 -0.104 0.000 0.858 44 R HN 1.068 nan 8.270 nan 0.000 0.439 45 G N 0.892 109.526 108.800 -0.276 0.000 2.470 45 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.220 45 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.220 45 G C 0.990 175.929 174.900 0.065 0.000 1.121 45 G CA 0.833 45.694 45.100 -0.399 0.000 0.766 45 G HN 0.567 nan 8.290 nan 0.000 0.553 46 D N -0.274 120.213 120.400 0.146 0.000 2.317 46 D HA 0.038 4.674 4.640 -0.006 0.000 0.211 46 D C 1.681 178.031 176.300 0.083 0.000 0.966 46 D CA 0.746 54.843 54.000 0.162 0.000 0.876 46 D CB 0.225 41.114 40.800 0.148 0.000 0.927 46 D HN 0.378 nan 8.370 nan 0.000 0.519 59 Q N 0.128 119.884 119.800 -0.074 0.000 2.404 59 Q HA 0.306 4.643 4.340 -0.006 0.000 0.272 59 Q C 1.085 177.026 176.000 -0.099 0.000 0.939 59 Q CA 0.205 55.957 55.803 -0.086 0.000 0.945 59 Q CB -0.522 28.169 28.738 -0.080 0.000 1.195 59 Q HN 0.670 nan 8.270 nan 0.000 0.415 60 G N 0.013 108.760 108.800 -0.088 0.000 3.581 60 G HA2 0.247 4.203 3.960 -0.006 0.000 0.255 60 G HA3 0.247 4.203 3.960 -0.006 0.000 0.255 60 G C 0.921 175.755 174.900 -0.111 0.000 1.121 60 G CA 0.411 45.467 45.100 -0.074 0.000 1.739 60 G HN 0.443 nan 8.290 nan 0.000 0.646 61 L N -0.339 120.752 121.223 -0.219 0.000 1.955 61 L HA 0.236 4.572 4.340 -0.006 0.000 0.213 61 L C 2.143 178.774 176.870 -0.399 0.000 1.072 61 L CA 1.731 56.310 54.840 -0.435 0.000 0.755 61 L CB -1.447 40.137 42.059 -0.793 0.000 0.888 61 L HN 0.418 nan 8.230 nan 0.000 0.432 62 F N -1.741 118.228 119.950 0.032 0.000 2.639 62 F HA 0.465 4.988 4.527 -0.007 0.000 0.300 62 F C 1.427 177.293 175.800 0.110 0.000 1.109 62 F CA 0.335 58.371 58.000 0.061 0.000 1.335 62 F CB 0.246 39.285 39.000 0.064 0.000 1.014 62 F HN 0.013 nan 8.300 nan 0.000 0.537 63 V N -1.947 118.085 119.914 0.198 0.000 3.245 63 V HA 0.016 4.133 4.120 -0.006 0.000 0.246 63 V C 2.077 178.259 176.094 0.146 0.000 1.487 63 V CA 0.158 62.592 62.300 0.223 0.000 1.154 63 V CB 0.318 32.222 31.823 0.136 0.000 0.971 63 V HN -0.035 nan 8.190 nan 0.000 0.443 64 K N 1.752 122.191 120.400 0.066 0.000 2.034 64 K HA -0.249 4.068 4.320 -0.006 0.000 0.214 64 K C 1.864 178.497 176.600 0.056 0.000 1.051 64 K CA 2.331 58.643 56.287 0.042 0.000 0.931 64 K CB -0.260 32.242 32.500 0.004 0.000 0.715 64 K HN 0.501 nan 8.250 nan 0.000 0.446 65 E N -0.123 120.109 120.200 0.053 0.000 2.153 65 E HA -0.101 4.245 4.350 -0.006 0.000 0.194 65 E C 1.854 178.489 176.600 0.057 0.000 0.988 65 E CA 1.077 57.505 56.400 0.047 0.000 0.811 65 E CB -0.078 29.646 29.700 0.040 0.000 0.746 65 E HN 0.278 nan 8.360 nan 0.000 0.466 66 L N 0.547 121.820 121.223 0.083 0.000 2.156 66 L HA -0.102 4.235 4.340 -0.006 0.000 0.208 66 L C 2.044 178.970 176.870 0.093 0.000 1.095 66 L CA 1.035 55.922 54.840 0.078 0.000 0.770 66 L CB -0.359 41.753 42.059 0.088 0.000 0.914 66 L HN 0.177 nan 8.230 nan 0.000 0.439 67 E N -0.117 120.152 120.200 0.115 0.000 2.107 67 E HA -0.132 4.214 4.350 -0.006 0.000 0.191 67 E C 2.320 178.963 176.600 0.072 0.000 0.982 67 E CA 0.856 57.322 56.400 0.111 0.000 0.809 67 E CB 0.029 29.800 29.700 0.118 0.000 0.756 67 E HN 0.249 nan 8.360 nan 0.000 0.459 68 V N 1.623 121.571 119.914 0.056 0.000 2.407 68 V HA -0.256 3.860 4.120 -0.006 0.000 0.248 68 V C 2.350 178.464 176.094 0.033 0.000 1.055 68 V CA 1.842 64.165 62.300 0.038 0.000 1.049 68 V CB -0.619 31.221 31.823 0.030 0.000 0.662 68 V HN 0.291 nan 8.190 nan 0.000 0.455 69 A N -0.582 122.259 122.820 0.034 0.000 1.930 69 A HA -0.135 4.182 4.320 -0.006 0.000 0.217 69 A C 2.099 179.698 177.584 0.024 0.000 1.175 69 A CA 1.558 53.610 52.037 0.024 0.000 0.627 69 A CB -0.454 18.558 19.000 0.020 0.000 0.815 69 A HN 0.420 nan 8.150 nan 0.000 0.443 70 L N -0.577 120.667 121.223 0.036 0.000 2.093 70 L HA -0.014 4.322 4.340 -0.006 0.000 0.208 70 L C 2.285 179.172 176.870 0.029 0.000 1.085 70 L CA 1.321 56.181 54.840 0.034 0.000 0.755 70 L CB -0.488 41.602 42.059 0.053 0.000 0.904 70 L HN 0.361 nan 8.230 nan 0.000 0.435 71 L N -1.211 120.032 121.223 0.033 0.000 2.376 71 L HA -0.108 4.229 4.340 -0.006 0.000 0.219 71 L C 1.480 178.361 176.870 0.019 0.000 1.133 71 L CA 0.718 55.574 54.840 0.027 0.000 0.816 71 L CB -0.179 41.899 42.059 0.032 0.000 0.933 71 L HN 0.310 nan 8.230 nan 0.000 0.449 72 E N -0.665 119.545 120.200 0.017 0.000 2.465 72 E HA 0.003 4.350 4.350 -0.006 0.000 0.195 72 E C 0.077 176.682 176.600 0.008 0.000 1.028 72 E CA -0.163 56.243 56.400 0.012 0.000 0.899 72 E CB 0.244 29.951 29.700 0.011 0.000 1.032 72 E HN 0.291 nan 8.360 nan 0.000 0.468 73 N N 1.056 119.761 118.700 0.007 0.000 2.741 73 N HA -0.244 4.492 4.740 -0.006 0.000 0.251 73 N C 0.512 176.022 175.510 0.000 0.000 1.112 73 N CA 0.677 53.728 53.050 0.003 0.000 0.750 73 N CB -0.553 37.934 38.487 0.000 0.000 1.119 73 N HN 0.152 nan 8.380 nan 0.000 0.561 74 R N -0.906 119.595 120.500 0.003 0.000 2.236 74 R HA 0.337 4.674 4.340 -0.006 0.000 0.208 74 R C 0.502 176.799 176.300 -0.004 0.000 1.036 74 R CA 1.195 57.295 56.100 0.000 0.000 1.001 74 R CB 0.308 30.610 30.300 0.004 0.000 0.896 74 R HN 0.315 nan 8.270 nan 0.000 0.464 75 A N -0.333 122.485 122.820 -0.003 0.000 2.602 75 A HA 0.349 4.665 4.320 -0.006 0.000 0.290 75 A C -0.949 176.630 177.584 -0.008 0.000 1.114 75 A CA -0.845 51.187 52.037 -0.009 0.000 0.683 75 A CB 1.432 20.427 19.000 -0.009 0.000 1.281 75 A HN -0.053 nan 8.150 nan 0.000 0.416 76 D N -0.554 119.837 120.400 -0.014 0.000 2.470 76 D HA 0.201 4.837 4.640 -0.006 0.000 0.238 76 D C 0.578 176.872 176.300 -0.009 0.000 1.054 76 D CA 1.350 55.342 54.000 -0.014 0.000 0.896 76 D CB 0.607 41.392 40.800 -0.024 0.000 1.118 76 D HN 0.658 nan 8.370 nan 0.000 0.497 77 I N -2.204 118.358 120.570 -0.013 0.000 3.042 77 I HA 0.770 4.936 4.170 -0.006 0.000 0.310 77 I C -1.506 174.602 176.117 -0.015 0.000 1.117 77 I CA -1.368 59.928 61.300 -0.005 0.000 1.003 77 I CB 2.666 40.659 38.000 -0.011 0.000 1.228 77 I HN -0.238 nan 8.210 nan 0.000 0.443 78 A N 3.265 126.080 122.820 -0.009 0.000 2.359 78 A HA 0.760 5.076 4.320 -0.006 0.000 0.303 78 A C -1.077 176.392 177.584 -0.191 0.000 1.066 78 A CA -0.602 51.373 52.037 -0.103 0.000 0.730 78 A CB 1.633 20.610 19.000 -0.039 0.000 1.211 78 A HN 0.533 nan 8.150 nan 0.000 0.439 79 V N 3.561 123.310 119.914 -0.275 0.000 2.394 79 V HA 0.566 4.682 4.120 -0.006 0.000 0.282 79 V C -0.419 175.499 176.094 -0.294 0.000 1.031 79 V CA -0.234 61.969 62.300 -0.163 0.000 0.881 79 V CB 0.932 32.734 31.823 -0.036 0.000 0.982 79 V HN 1.029 nan 8.190 nan 0.000 0.451 80 H N 0.645 119.774 119.070 0.099 0.000 2.946 80 H HA 0.575 5.126 4.556 -0.008 0.000 0.365 80 H C -0.415 174.962 175.328 0.082 0.000 1.197 80 H CA -0.788 55.313 56.048 0.089 0.000 1.131 80 H CB 1.362 31.184 29.762 0.101 0.000 1.849 80 H HN 0.521 nan 8.280 nan 0.000 0.555 81 S N 1.794 117.613 115.700 0.197 0.000 2.523 81 S HA 0.033 4.499 4.470 -0.006 0.000 0.275 81 S C 1.306 175.973 174.600 0.112 0.000 1.281 81 S CA -0.674 57.589 58.200 0.106 0.000 1.050 81 S CB 0.546 63.762 63.200 0.028 0.000 0.937 81 S HN 0.523 nan 8.310 nan 0.000 0.492 82 M N 3.049 122.706 119.600 0.095 0.000 2.195 82 M HA -0.164 4.312 4.480 -0.006 0.000 0.260 82 M C 1.992 178.322 176.300 0.050 0.000 1.066 82 M CA 1.639 56.987 55.300 0.080 0.000 1.089 82 M CB -1.136 31.511 32.600 0.078 0.000 1.377 82 M HN 0.755 nan 8.290 nan 0.000 0.411 83 K N -1.353 119.069 120.400 0.036 0.000 2.504 83 K HA -0.082 4.234 4.320 -0.006 0.000 0.195 83 K C 0.792 177.409 176.600 0.030 0.000 1.036 83 K CA 1.067 57.368 56.287 0.024 0.000 0.984 83 K CB -0.064 32.442 32.500 0.010 0.000 0.788 83 K HN 0.225 nan 8.250 nan 0.000 0.488 84 D N 1.139 121.565 120.400 0.042 0.000 2.346 84 D HA 0.025 4.661 4.640 -0.006 0.000 0.206 84 D C 0.083 176.399 176.300 0.026 0.000 1.001 84 D CA 0.193 54.245 54.000 0.087 0.000 0.871 84 D CB 0.422 41.296 40.800 0.123 0.000 0.943 84 D HN -0.031 nan 8.370 nan 0.000 0.518 85 V N 4.759 124.640 119.914 -0.055 0.000 2.585 85 V HA 0.056 4.172 4.120 -0.006 0.000 0.296 85 V C -1.633 174.364 176.094 -0.162 0.000 1.035 85 V CA -0.855 61.342 62.300 -0.172 0.000 1.084 85 V CB 0.746 32.509 31.823 -0.100 0.000 0.953 85 V HN 0.064 nan 8.190 nan 0.000 0.483 86 P HA 0.118 nan 4.420 nan 0.000 0.272 86 P C 0.777 177.803 177.300 -0.457 0.000 1.230 86 P CA -0.139 62.765 63.100 -0.326 0.000 0.788 86 P CB 1.199 32.676 31.700 -0.371 0.000 0.949 87 V N -2.176 117.553 119.914 -0.308 0.000 3.052 87 V HA 0.090 4.207 4.120 -0.006 0.000 0.254 87 V C 0.848 176.767 176.094 -0.293 0.000 1.100 87 V CA 0.926 63.090 62.300 -0.228 0.000 1.112 87 V CB -0.945 30.823 31.823 -0.090 0.000 0.738 87 V HN 0.387 nan 8.190 nan 0.000 0.469 88 E N 0.505 120.483 120.200 -0.370 0.000 2.191 88 E HA 0.578 4.924 4.350 -0.006 0.000 0.278 88 E C -1.610 174.699 176.600 -0.485 0.000 0.972 88 E CA -0.448 55.796 56.400 -0.260 0.000 0.804 88 E CB 2.046 31.661 29.700 -0.141 0.000 1.110 88 E HN 0.419 nan 8.360 nan 0.000 0.394 89 F N 2.300 122.247 119.950 -0.005 0.000 2.520 89 F HA 0.317 4.848 4.527 0.007 0.000 0.322 89 F C -1.720 174.082 175.800 0.003 0.000 1.103 89 F CA -2.094 55.905 58.000 -0.001 0.000 0.926 89 F CB 1.333 40.334 39.000 0.002 0.000 1.154 89 F HN 0.207 nan 8.300 nan 0.000 0.453 90 P HA 0.025 nan 4.420 nan 0.000 0.272 90 P C -0.940 176.424 177.300 0.107 0.000 1.223 90 P CA -0.551 62.612 63.100 0.105 0.000 0.784 90 P CB 0.788 32.536 31.700 0.079 0.000 0.923 91 Q N 0.652 120.494 119.800 0.070 0.000 2.520 91 Q HA 0.142 4.478 4.340 -0.006 0.000 0.320 91 Q C 0.994 177.021 176.000 0.046 0.000 1.104 91 Q CA 1.503 57.337 55.803 0.052 0.000 1.062 91 Q CB -0.795 27.965 28.738 0.036 0.000 1.005 91 Q HN 0.852 nan 8.270 nan 0.000 0.390 92 G N 3.007 111.830 108.800 0.038 0.000 2.436 92 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.204 92 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.204 92 G C -0.103 174.807 174.900 0.016 0.000 1.026 92 G CA -0.068 45.047 45.100 0.024 0.000 0.658 92 G HN 0.534 nan 8.290 nan 0.000 0.499 93 L N 0.859 122.107 121.223 0.041 0.000 2.416 93 L HA 0.806 5.143 4.340 -0.006 0.000 0.262 93 L C 0.816 177.627 176.870 -0.098 0.000 1.093 93 L CA -0.352 54.501 54.840 0.022 0.000 0.801 93 L CB 1.501 43.629 42.059 0.114 0.000 1.191 93 L HN 0.686 nan 8.230 nan 0.000 0.459 94 G N 0.571 109.206 108.800 -0.276 0.000 2.519 94 G HA2 0.337 4.293 3.960 -0.006 0.000 0.292 94 G HA3 0.337 4.293 3.960 -0.006 0.000 0.292 94 G C -2.103 172.433 174.900 -0.607 0.000 1.507 94 G CA -0.670 43.983 45.100 -0.745 0.000 0.806 94 G HN 0.264 nan 8.290 nan 0.000 0.523 95 L N 1.865 122.609 121.223 -0.798 0.000 2.319 95 L HA 0.497 4.833 4.340 -0.006 0.000 0.280 95 L C 1.336 178.105 176.870 -0.168 0.000 1.099 95 L CA 0.254 54.917 54.840 -0.295 0.000 0.828 95 L CB 1.261 43.231 42.059 -0.148 0.000 1.150 95 L HN 0.879 nan 8.230 nan 0.000 0.442 96 V N 0.800 120.674 119.914 -0.067 0.000 3.539 96 V HA 0.342 4.459 4.120 -0.006 0.000 0.262 96 V C 0.594 176.694 176.094 0.010 0.000 1.381 96 V CA 0.072 62.350 62.300 -0.035 0.000 1.060 96 V CB 0.833 32.636 31.823 -0.034 0.000 0.842 96 V HN 0.737 nan 8.190 nan 0.000 0.445 97 T N 2.233 116.808 114.554 0.036 0.000 2.886 97 T HA 0.755 5.102 4.350 -0.006 0.000 0.292 97 T C -0.817 173.937 174.700 0.090 0.000 1.012 97 T CA -0.041 62.097 62.100 0.063 0.000 0.982 97 T CB 2.328 71.235 68.868 0.064 0.000 1.018 97 T HN 0.217 nan 8.240 nan 0.000 0.451 98 I N 2.274 122.905 120.570 0.103 0.000 2.439 98 I HA 0.354 4.520 4.170 -0.006 0.000 0.283 98 I C 0.141 176.354 176.117 0.161 0.000 1.023 98 I CA -0.745 60.628 61.300 0.122 0.000 1.100 98 I CB 1.188 39.246 38.000 0.097 0.000 1.238 98 I HN 0.596 nan 8.210 nan 0.000 0.445 99 C N 3.428 122.838 119.300 0.183 0.000 2.563 99 C HA 0.120 4.576 4.460 -0.006 0.000 0.358 99 C C 1.057 176.159 174.990 0.186 0.000 1.336 99 C CA -0.464 58.686 59.018 0.219 0.000 2.454 99 C CB 0.173 28.106 27.740 0.322 0.000 2.448 99 C HN 0.704 nan 8.230 nan 0.000 0.670 100 E N 0.924 121.183 120.200 0.099 0.000 2.480 100 E HA -0.012 4.335 4.350 -0.006 0.000 0.258 100 E C 0.269 176.864 176.600 -0.009 0.000 0.984 100 E CA 0.150 56.467 56.400 -0.138 0.000 0.930 100 E CB 0.398 29.843 29.700 -0.425 0.000 0.936 100 E HN 0.419 nan 8.360 nan 0.000 0.466 101 R N 3.414 123.941 120.500 0.045 0.000 2.442 101 R HA 0.025 4.361 4.340 -0.006 0.000 0.291 101 R C -0.086 176.220 176.300 0.010 0.000 1.069 101 R CA -0.066 56.063 56.100 0.049 0.000 1.022 101 R CB 0.616 30.972 30.300 0.093 0.000 0.976 101 R HN 0.578 nan 8.270 nan 0.000 0.443 102 E N 1.202 121.392 120.200 -0.016 0.000 3.188 102 E HA 0.028 4.375 4.350 -0.006 0.000 0.262 102 E C -0.802 175.787 176.600 -0.018 0.000 1.341 102 E CA -0.392 55.983 56.400 -0.041 0.000 1.140 102 E CB 0.439 30.080 29.700 -0.099 0.000 1.306 102 E HN 0.445 nan 8.360 nan 0.000 0.694 103 D N 1.063 121.442 120.400 -0.036 0.000 2.412 103 D HA -0.012 4.625 4.640 -0.006 0.000 0.257 103 D C -1.728 174.549 176.300 -0.038 0.000 1.217 103 D CA -1.222 52.762 54.000 -0.027 0.000 0.897 103 D CB 0.851 41.625 40.800 -0.044 0.000 1.132 103 D HN 0.123 nan 8.370 nan 0.000 0.493 104 P HA 0.024 nan 4.420 nan 0.000 0.249 104 P C 0.138 177.350 177.300 -0.146 0.000 1.229 104 P CA 0.096 63.169 63.100 -0.045 0.000 0.788 104 P CB 0.537 32.275 31.700 0.064 0.000 1.072 105 R N 0.470 120.884 120.500 -0.143 0.000 2.615 105 R HA 0.267 4.604 4.340 -0.006 0.000 0.270 105 R C 0.201 176.432 176.300 -0.115 0.000 1.081 105 R CA -0.547 55.457 56.100 -0.160 0.000 1.154 105 R CB 0.308 30.532 30.300 -0.127 0.000 1.063 105 R HN 0.031 nan 8.270 nan 0.000 0.519 106 D N -0.222 120.114 120.400 -0.106 0.000 2.348 106 D HA 0.478 5.114 4.640 -0.006 0.000 0.249 106 D C -0.665 175.609 176.300 -0.042 0.000 1.110 106 D CA -0.039 53.918 54.000 -0.072 0.000 0.967 106 D CB 1.563 42.326 40.800 -0.061 0.000 1.139 106 D HN 0.552 nan 8.370 nan 0.000 0.466 107 A N 0.649 123.455 122.820 -0.023 0.000 2.486 107 A HA 0.485 4.802 4.320 -0.006 0.000 0.300 107 A C -1.416 176.200 177.584 0.054 0.000 1.048 107 A CA -0.745 51.300 52.037 0.013 0.000 0.696 107 A CB 0.955 19.940 19.000 -0.024 0.000 1.278 107 A HN 0.395 nan 8.150 nan 0.000 0.405 108 F N 3.185 123.109 119.950 -0.042 0.000 2.411 108 F HA 0.606 5.129 4.527 -0.006 0.000 0.355 108 F C -0.700 175.088 175.800 -0.020 0.000 1.117 108 F CA -0.329 57.653 58.000 -0.030 0.000 1.139 108 F CB 1.041 40.029 39.000 -0.020 0.000 1.120 108 F HN 0.311 nan 8.300 nan 0.000 0.493 109 V N 5.633 125.157 119.914 -0.651 0.000 2.495 109 V HA 0.681 4.797 4.120 -0.006 0.000 0.298 109 V C -0.495 175.172 176.094 -0.713 0.000 1.031 109 V CA -0.480 61.506 62.300 -0.523 0.000 0.871 109 V CB 1.358 33.015 31.823 -0.276 0.000 0.988 109 V HN 0.881 nan 8.190 nan 0.000 0.432 110 S N 2.957 118.358 115.700 -0.498 0.000 2.567 110 S HA 0.444 4.911 4.470 -0.006 0.000 0.270 110 S C -0.028 174.511 174.600 -0.101 0.000 1.152 110 S CA -0.623 57.406 58.200 -0.285 0.000 0.835 110 S CB 1.922 64.967 63.200 -0.258 0.000 1.115 110 S HN 0.684 nan 8.310 nan 0.000 0.459 111 N N 2.230 120.901 118.700 -0.048 0.000 2.322 111 N HA 0.057 4.793 4.740 -0.006 0.000 0.186 111 N C 0.858 176.318 175.510 -0.082 0.000 1.037 111 N CA 1.167 54.187 53.050 -0.051 0.000 0.869 111 N CB -0.588 37.871 38.487 -0.046 0.000 1.036 111 N HN 0.687 nan 8.380 nan 0.000 0.439 112 N N -0.807 117.794 118.700 -0.164 0.000 2.422 112 N HA 0.020 4.756 4.740 -0.006 0.000 0.181 112 N C -0.541 174.632 175.510 -0.562 0.000 1.080 112 N CA 0.432 53.239 53.050 -0.405 0.000 0.893 112 N CB 0.118 38.229 38.487 -0.627 0.000 0.973 112 N HN 0.237 nan 8.380 nan 0.000 0.456 113 Y N 0.238 120.600 120.300 0.105 0.000 2.485 113 Y HA 0.233 4.780 4.550 -0.006 0.000 0.345 113 Y C 0.759 176.810 175.900 0.252 0.000 0.998 113 Y CA -1.540 56.664 58.100 0.174 0.000 1.059 113 Y CB 1.238 39.849 38.460 0.252 0.000 1.234 113 Y HN -0.033 nan 8.280 nan 0.000 0.461 114 D N -0.797 119.810 120.400 0.346 0.000 2.346 114 D HA 0.066 4.702 4.640 -0.006 0.000 0.206 114 D C -0.044 176.376 176.300 0.199 0.000 1.001 114 D CA 0.552 54.703 54.000 0.251 0.000 0.871 114 D CB 0.549 41.425 40.800 0.125 0.000 0.943 114 D HN 0.413 nan 8.370 nan 0.000 0.518 115 S N -1.192 114.516 115.700 0.013 0.000 2.636 115 S HA 0.273 4.739 4.470 -0.006 0.000 0.268 115 S C 0.219 174.281 174.600 -0.896 0.000 1.159 115 S CA -0.804 57.104 58.200 -0.487 0.000 0.815 115 S CB 1.461 64.521 63.200 -0.234 0.000 1.130 115 S HN -0.048 nan 8.310 nan 0.000 0.471 116 L N 1.657 122.289 121.223 -0.985 0.000 2.072 116 L HA 0.111 4.447 4.340 -0.006 0.000 0.205 116 L C 1.762 178.430 176.870 -0.338 0.000 1.079 116 L CA 2.562 56.988 54.840 -0.691 0.000 0.752 116 L CB -1.263 40.508 42.059 -0.481 0.000 0.906 116 L HN 0.966 nan 8.230 nan 0.000 0.436 117 D N -1.569 118.679 120.400 -0.254 0.000 2.378 117 D HA -0.023 4.613 4.640 -0.006 0.000 0.227 117 D C 1.523 177.750 176.300 -0.122 0.000 1.012 117 D CA 0.825 54.733 54.000 -0.153 0.000 0.905 117 D CB -0.050 40.683 40.800 -0.111 0.000 0.895 117 D HN 0.273 nan 8.370 nan 0.000 0.532 118 A N 0.114 122.851 122.820 -0.139 0.000 2.303 118 A HA 0.266 4.583 4.320 -0.006 0.000 0.217 118 A C 0.682 178.198 177.584 -0.114 0.000 1.205 118 A CA -0.365 51.637 52.037 -0.059 0.000 0.875 118 A CB -0.049 18.966 19.000 0.024 0.000 0.910 118 A HN 0.212 nan 8.150 nan 0.000 0.501 119 L N 1.658 122.733 121.223 -0.247 0.000 2.319 119 L HA 0.276 4.612 4.340 -0.006 0.000 0.280 119 L C -2.329 174.387 176.870 -0.256 0.000 1.099 119 L CA -1.820 52.755 54.840 -0.441 0.000 0.828 119 L CB 1.029 42.880 42.059 -0.347 0.000 1.150 119 L HN 0.079 nan 8.230 nan 0.000 0.442 120 P HA 0.135 nan 4.420 nan 0.000 0.274 120 P C -0.677 176.571 177.300 -0.085 0.000 1.237 120 P CA -0.488 62.553 63.100 -0.098 0.000 0.793 120 P CB 0.679 32.358 31.700 -0.035 0.000 0.977 121 A N 1.571 124.361 122.820 -0.049 0.000 2.540 121 A HA 0.403 4.720 4.320 -0.006 0.000 0.239 121 A C 1.491 179.059 177.584 -0.027 0.000 1.061 121 A CA 0.965 52.980 52.037 -0.036 0.000 0.758 121 A CB -1.447 17.540 19.000 -0.023 0.000 0.991 121 A HN 0.868 nan 8.150 nan 0.000 0.502 122 G N 1.321 110.108 108.800 -0.021 0.000 2.234 122 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.235 122 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.235 122 G C 0.627 175.523 174.900 -0.007 0.000 0.997 122 G CA 0.320 45.415 45.100 -0.009 0.000 0.623 122 G HN 1.305 nan 8.290 nan 0.000 0.514 123 S N 0.617 116.299 115.700 -0.031 0.000 2.558 123 S HA 0.367 4.833 4.470 -0.006 0.000 0.291 123 S C 0.660 175.269 174.600 0.015 0.000 1.306 123 S CA 0.300 58.482 58.200 -0.030 0.000 1.056 123 S CB 0.571 63.695 63.200 -0.127 0.000 0.836 123 S HN 0.411 nan 8.310 nan 0.000 0.504 124 I N 3.515 124.118 120.570 0.055 0.000 2.297 124 I HA 0.243 4.410 4.170 -0.006 0.000 0.291 124 I C -0.384 175.828 176.117 0.157 0.000 1.033 124 I CA -0.509 60.850 61.300 0.099 0.000 1.253 124 I CB 0.893 38.947 38.000 0.090 0.000 1.396 124 I HN 0.227 nan 8.210 nan 0.000 0.476 125 V N 5.336 125.327 119.914 0.128 0.000 2.472 125 V HA 0.585 4.702 4.120 -0.006 0.000 0.290 125 V C 0.638 176.773 176.094 0.069 0.000 1.037 125 V CA -0.516 61.843 62.300 0.098 0.000 0.908 125 V CB 1.679 33.545 31.823 0.073 0.000 0.985 125 V HN 0.865 nan 8.190 nan 0.000 0.454 126 G N 1.569 110.313 108.800 -0.094 0.000 2.422 126 G HA2 0.620 4.576 3.960 -0.006 0.000 0.317 126 G HA3 0.620 4.576 3.960 -0.006 0.000 0.317 126 G C -0.578 174.169 174.900 -0.256 0.000 1.210 126 G CA -0.354 44.540 45.100 -0.343 0.000 0.930 126 G HN 0.818 nan 8.290 nan 0.000 0.468 127 T N -0.011 114.448 114.554 -0.159 0.000 3.168 127 T HA 0.351 4.697 4.350 -0.006 0.000 0.373 127 T C 0.387 175.056 174.700 -0.052 0.000 1.681 127 T CA -0.367 61.670 62.100 -0.104 0.000 1.135 127 T CB 1.093 69.919 68.868 -0.070 0.000 1.477 127 T HN 0.260 nan 8.240 nan 0.000 0.480 128 S N 1.792 117.470 115.700 -0.037 0.000 2.540 128 S HA 0.255 4.721 4.470 -0.006 0.000 0.218 128 S C 0.685 175.285 174.600 -0.002 0.000 0.977 128 S CA -0.164 58.032 58.200 -0.007 0.000 0.918 128 S CB 0.398 63.603 63.200 0.008 0.000 0.806 128 S HN 0.700 nan 8.310 nan 0.000 0.496 129 S N 1.840 117.533 115.700 -0.012 0.000 2.455 129 S HA 0.319 4.785 4.470 -0.006 0.000 0.278 129 S C 1.093 175.688 174.600 -0.008 0.000 1.216 129 S CA -0.483 57.712 58.200 -0.008 0.000 1.055 129 S CB 0.033 63.222 63.200 -0.019 0.000 0.939 129 S HN 0.375 nan 8.310 nan 0.000 0.494 130 L N 4.939 126.160 121.223 -0.003 0.000 2.217 130 L HA -0.019 4.318 4.340 -0.006 0.000 0.211 130 L C 2.762 179.628 176.870 -0.008 0.000 1.107 130 L CA 0.902 55.739 54.840 -0.004 0.000 0.783 130 L CB -0.394 41.664 42.059 -0.002 0.000 0.919 130 L HN 0.702 nan 8.230 nan 0.000 0.442 131 R N 0.793 121.286 120.500 -0.011 0.000 2.073 131 R HA -0.170 4.166 4.340 -0.006 0.000 0.234 131 R C 2.419 178.707 176.300 -0.019 0.000 1.134 131 R CA 1.542 57.633 56.100 -0.015 0.000 0.952 131 R CB -0.071 30.218 30.300 -0.018 0.000 0.850 131 R HN 0.255 nan 8.270 nan 0.000 0.433 132 R N 0.037 120.525 120.500 -0.021 0.000 2.092 132 R HA -0.130 4.207 4.340 -0.006 0.000 0.231 132 R C 2.506 178.797 176.300 -0.015 0.000 1.119 132 R CA 1.630 57.717 56.100 -0.022 0.000 0.970 132 R CB -0.248 30.037 30.300 -0.026 0.000 0.864 132 R HN 0.438 nan 8.270 nan 0.000 0.440 133 Q N 0.738 120.531 119.800 -0.011 0.000 2.046 133 Q HA -0.201 4.135 4.340 -0.006 0.000 0.200 133 Q C 2.447 178.443 176.000 -0.006 0.000 0.975 133 Q CA 2.027 57.827 55.803 -0.006 0.000 0.836 133 Q CB -0.121 28.616 28.738 -0.003 0.000 0.896 133 Q HN 0.582 nan 8.270 nan 0.000 0.428 134 C N 0.057 119.352 119.300 -0.008 0.000 2.429 134 C HA -0.084 4.372 4.460 -0.006 0.000 0.277 134 C C 2.436 177.419 174.990 -0.011 0.000 1.262 134 C CA 0.925 59.938 59.018 -0.008 0.000 1.733 134 C CB -1.172 26.563 27.740 -0.008 0.000 2.010 134 C HN 0.523 nan 8.230 nan 0.000 0.483 135 Q N 0.623 120.414 119.800 -0.014 0.000 2.167 135 Q HA 0.022 4.358 4.340 -0.006 0.000 0.202 135 Q C 2.328 178.317 176.000 -0.018 0.000 0.970 135 Q CA 1.323 57.116 55.803 -0.018 0.000 0.855 135 Q CB -0.223 28.500 28.738 -0.024 0.000 0.911 135 Q HN 0.723 nan 8.270 nan 0.000 0.438 136 L N 0.013 121.227 121.223 -0.015 0.000 2.179 136 L HA -0.044 4.292 4.340 -0.006 0.000 0.208 136 L C 2.380 179.241 176.870 -0.015 0.000 1.096 136 L CA 0.684 55.515 54.840 -0.015 0.000 0.779 136 L CB -0.308 41.747 42.059 -0.006 0.000 0.922 136 L HN 0.165 nan 8.230 nan 0.000 0.443 137 A N -0.540 122.274 122.820 -0.010 0.000 2.015 137 A HA -0.220 4.097 4.320 -0.006 0.000 0.219 137 A C 2.252 179.829 177.584 -0.011 0.000 1.163 137 A CA 1.487 53.519 52.037 -0.009 0.000 0.646 137 A CB -0.394 18.602 19.000 -0.005 0.000 0.806 137 A HN 0.460 nan 8.150 nan 0.000 0.448 138 E N 0.059 120.252 120.200 -0.012 0.000 2.150 138 E HA -0.187 4.160 4.350 -0.006 0.000 0.193 138 E C 1.994 178.585 176.600 -0.014 0.000 0.985 138 E CA 1.116 57.510 56.400 -0.012 0.000 0.814 138 E CB -0.012 29.681 29.700 -0.011 0.000 0.752 138 E HN 0.708 nan 8.360 nan 0.000 0.466 139 R N -0.962 119.526 120.500 -0.019 0.000 2.167 139 R HA 0.219 4.555 4.340 -0.006 0.000 0.201 139 R C 0.696 176.979 176.300 -0.028 0.000 1.024 139 R CA -0.099 55.987 56.100 -0.024 0.000 1.053 139 R CB 0.415 30.697 30.300 -0.030 0.000 0.987 139 R HN -0.160 nan 8.270 nan 0.000 0.493 140 R N 1.808 122.291 120.500 -0.028 0.000 2.748 140 R HA 0.214 4.550 4.340 -0.006 0.000 0.283 140 R C -2.108 174.179 176.300 -0.022 0.000 1.507 140 R CA -1.921 54.160 56.100 -0.031 0.000 1.666 140 R CB 1.027 31.302 30.300 -0.042 0.000 1.237 140 R HN 0.091 nan 8.270 nan 0.000 0.633 141 P HA -0.133 nan 4.420 nan 0.000 0.228 141 P C 0.308 177.601 177.300 -0.011 0.000 1.151 141 P CA 0.999 64.091 63.100 -0.012 0.000 0.770 141 P CB 0.331 32.025 31.700 -0.010 0.000 0.786 142 D N -0.988 119.402 120.400 -0.016 0.000 2.340 142 D HA 0.002 4.638 4.640 -0.006 0.000 0.220 142 D C 0.695 176.985 176.300 -0.017 0.000 1.039 142 D CA 0.015 54.005 54.000 -0.016 0.000 0.866 142 D CB -0.426 40.362 40.800 -0.020 0.000 0.913 142 D HN 0.224 nan 8.370 nan 0.000 0.523 143 L N 0.732 121.946 121.223 -0.015 0.000 2.343 143 L HA 0.295 4.632 4.340 -0.006 0.000 0.275 143 L C 0.140 177.012 176.870 0.004 0.000 1.056 143 L CA -1.003 53.831 54.840 -0.010 0.000 0.804 143 L CB 1.761 43.813 42.059 -0.012 0.000 1.203 143 L HN -0.155 nan 8.230 nan 0.000 0.440 144 I N 4.055 124.634 120.570 0.014 0.000 2.315 144 I HA 0.248 4.414 4.170 -0.006 0.000 0.291 144 I C 0.073 176.217 176.117 0.044 0.000 1.006 144 I CA -0.416 60.899 61.300 0.026 0.000 1.265 144 I CB 1.243 39.259 38.000 0.028 0.000 1.387 144 I HN 0.289 nan 8.210 nan 0.000 0.475 145 I N 6.260 126.854 120.570 0.040 0.000 2.297 145 I HA 0.309 4.476 4.170 -0.006 0.000 0.291 145 I C 0.401 176.559 176.117 0.068 0.000 1.033 145 I CA -0.618 60.711 61.300 0.048 0.000 1.253 145 I CB 0.646 38.662 38.000 0.026 0.000 1.396 145 I HN 0.498 nan 8.210 nan 0.000 0.476 146 R N 3.838 124.409 120.500 0.118 0.000 2.474 146 R HA 0.436 4.773 4.340 -0.006 0.000 0.295 146 R C -0.264 176.129 176.300 0.155 0.000 0.980 146 R CA -0.222 55.984 56.100 0.177 0.000 0.934 146 R CB 1.173 31.663 30.300 0.316 0.000 1.101 146 R HN 0.603 nan 8.270 nan 0.000 0.469 147 S N 2.981 118.758 115.700 0.129 0.000 2.572 147 S HA 0.321 4.788 4.470 -0.006 0.000 0.279 147 S C -0.807 173.843 174.600 0.083 0.000 1.341 147 S CA -0.217 58.029 58.200 0.076 0.000 1.043 147 S CB 0.599 63.839 63.200 0.066 0.000 0.887 147 S HN 0.433 nan 8.310 nan 0.000 0.516 148 L N 2.903 124.111 121.223 -0.024 0.000 2.455 148 L HA 0.664 5.000 4.340 -0.006 0.000 0.264 148 L C -0.979 175.872 176.870 -0.032 0.000 0.968 148 L CA -0.265 54.525 54.840 -0.084 0.000 0.827 148 L CB 1.612 43.454 42.059 -0.362 0.000 1.317 148 L HN 0.528 nan 8.230 nan 0.000 0.407 149 R N 2.601 123.105 120.500 0.007 0.000 2.836 149 R HA 0.929 5.265 4.340 -0.006 0.000 0.269 149 R C -0.671 175.645 176.300 0.026 0.000 1.010 149 R CA -0.457 55.659 56.100 0.027 0.000 0.930 149 R CB 1.750 32.082 30.300 0.053 0.000 1.218 149 R HN 1.008 nan 8.270 nan 0.000 0.473 150 G N 1.285 110.107 108.800 0.036 0.000 2.515 150 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.686 150 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.686 150 G C -0.915 173.982 174.900 -0.004 0.000 1.274 150 G CA -1.006 44.111 45.100 0.028 0.000 0.874 150 G HN 0.458 nan 8.290 nan 0.000 0.631 151 N N -0.855 117.842 118.700 -0.005 0.000 2.267 151 N HA 0.154 4.890 4.740 -0.006 0.000 0.226 151 N C 2.085 177.569 175.510 -0.043 0.000 1.314 151 N CA 0.184 53.216 53.050 -0.031 0.000 0.887 151 N CB 0.577 39.055 38.487 -0.015 0.000 1.120 151 N HN 0.593 nan 8.380 nan 0.000 0.440 152 V N 0.964 120.841 119.914 -0.060 0.000 2.231 152 V HA -0.271 3.845 4.120 -0.006 0.000 0.250 152 V C 2.307 178.369 176.094 -0.052 0.000 1.058 152 V CA 2.486 64.745 62.300 -0.069 0.000 1.022 152 V CB -1.290 30.484 31.823 -0.081 0.000 0.640 152 V HN 0.905 nan 8.190 nan 0.000 0.445 153 G N -0.920 107.858 108.800 -0.037 0.000 2.469 153 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.220 153 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.220 153 G C 1.645 176.537 174.900 -0.014 0.000 1.136 153 G CA 1.639 46.724 45.100 -0.024 0.000 0.759 153 G HN 0.509 nan 8.290 nan 0.000 0.562 154 T N 0.265 114.813 114.554 -0.009 0.000 2.904 154 T HA -0.005 4.341 4.350 -0.006 0.000 0.267 154 T C 2.471 177.174 174.700 0.005 0.000 1.059 154 T CA 0.804 62.907 62.100 0.005 0.000 1.137 154 T CB -0.064 68.812 68.868 0.013 0.000 0.879 154 T HN 0.265 nan 8.240 nan 0.000 0.467 155 R N 0.328 120.815 120.500 -0.022 0.000 2.075 155 R HA 0.033 4.369 4.340 -0.006 0.000 0.232 155 R C 2.168 178.445 176.300 -0.039 0.000 1.126 155 R CA 0.922 56.992 56.100 -0.049 0.000 0.963 155 R CB -0.486 29.759 30.300 -0.092 0.000 0.858 155 R HN 0.241 nan 8.270 nan 0.000 0.435 156 L N 0.495 121.694 121.223 -0.040 0.000 2.083 156 L HA -0.122 4.214 4.340 -0.006 0.000 0.209 156 L C 2.315 179.183 176.870 -0.005 0.000 1.083 156 L CA 1.569 56.388 54.840 -0.035 0.000 0.752 156 L CB -0.736 41.298 42.059 -0.042 0.000 0.899 156 L HN 0.040 nan 8.230 nan 0.000 0.433 157 S N -0.566 115.138 115.700 0.006 0.000 2.353 157 S HA -0.220 4.247 4.470 -0.006 0.000 0.222 157 S C 1.954 176.581 174.600 0.045 0.000 1.035 157 S CA 1.342 59.554 58.200 0.020 0.000 1.025 157 S CB -0.180 63.031 63.200 0.019 0.000 0.902 157 S HN 0.399 nan 8.310 nan 0.000 0.440 158 K N 0.818 121.267 120.400 0.081 0.000 2.103 158 K HA -0.049 4.268 4.320 -0.006 0.000 0.207 158 K C 2.090 178.807 176.600 0.195 0.000 1.048 158 K CA 0.841 57.222 56.287 0.157 0.000 0.930 158 K CB -0.304 32.374 32.500 0.298 0.000 0.716 158 K HN 0.273 nan 8.250 nan 0.000 0.444 159 L N 1.407 122.725 121.223 0.159 0.000 2.056 159 L HA -0.175 4.162 4.340 -0.006 0.000 0.207 159 L C 1.115 178.025 176.870 0.066 0.000 1.078 159 L CA 1.986 56.906 54.840 0.134 0.000 0.749 159 L CB -0.491 41.591 42.059 0.038 0.000 0.901 159 L HN 0.161 nan 8.230 nan 0.000 0.433 160 D N 0.105 120.526 120.400 0.035 0.000 2.178 160 D HA -0.148 4.488 4.640 -0.006 0.000 0.202 160 D C 1.617 177.926 176.300 0.014 0.000 0.974 160 D CA 1.050 55.058 54.000 0.014 0.000 0.841 160 D CB -0.259 40.542 40.800 0.003 0.000 0.953 160 D HN 0.516 nan 8.370 nan 0.000 0.478 161 N N -0.262 118.451 118.700 0.022 0.000 2.515 161 N HA 0.097 4.833 4.740 -0.006 0.000 0.191 161 N C 0.999 176.507 175.510 -0.003 0.000 1.182 161 N CA 0.312 53.367 53.050 0.009 0.000 0.879 161 N CB 0.467 38.960 38.487 0.010 0.000 0.984 161 N HN 0.124 nan 8.380 nan 0.000 0.453 162 G N 1.309 110.115 108.800 0.010 0.000 2.155 162 G HA2 -0.318 3.639 3.960 -0.006 0.000 0.257 162 G HA3 -0.318 3.639 3.960 -0.006 0.000 0.257 162 G C 0.648 175.520 174.900 -0.047 0.000 0.983 162 G CA 0.273 45.373 45.100 -0.000 0.000 0.676 162 G HN 0.463 nan 8.290 nan 0.000 0.528 163 E N -1.456 118.690 120.200 -0.090 0.000 2.274 163 E HA 0.071 4.417 4.350 -0.006 0.000 0.194 163 E C 0.174 176.406 176.600 -0.615 0.000 0.996 163 E CA 0.834 57.027 56.400 -0.345 0.000 0.840 163 E CB 0.109 29.562 29.700 -0.411 0.000 0.772 163 E HN 0.723 nan 8.360 nan 0.000 0.491 164 Y N -1.215 119.090 120.300 0.009 0.000 2.562 164 Y HA 0.173 4.720 4.550 -0.006 0.000 0.345 164 Y C 0.596 176.514 175.900 0.031 0.000 1.045 164 Y CA -1.025 57.083 58.100 0.013 0.000 1.028 164 Y CB 1.388 39.846 38.460 -0.002 0.000 1.297 164 Y HN -0.255 nan 8.280 nan 0.000 0.463 165 D N 0.885 121.410 120.400 0.209 0.000 2.249 165 D HA 0.286 4.923 4.640 -0.006 0.000 0.205 165 D C 0.147 176.554 176.300 0.179 0.000 0.962 165 D CA 1.030 55.154 54.000 0.206 0.000 0.860 165 D CB 0.593 41.501 40.800 0.181 0.000 0.955 165 D HN 0.541 nan 8.370 nan 0.000 0.505 166 A N 0.253 123.138 122.820 0.109 0.000 2.586 166 A HA 0.617 4.934 4.320 -0.006 0.000 0.291 166 A C -1.439 176.095 177.584 -0.084 0.000 1.062 166 A CA -0.793 51.206 52.037 -0.063 0.000 0.666 166 A CB 1.071 20.040 19.000 -0.051 0.000 1.281 166 A HN 0.098 nan 8.150 nan 0.000 0.421 167 I N -1.558 118.891 120.570 -0.201 0.000 2.894 167 I HA 0.757 4.923 4.170 -0.006 0.000 0.302 167 I C -1.551 174.469 176.117 -0.161 0.000 1.188 167 I CA -1.103 60.082 61.300 -0.192 0.000 1.014 167 I CB 1.959 39.808 38.000 -0.253 0.000 1.242 167 I HN 0.404 nan 8.210 nan 0.000 0.430 168 I N 4.916 125.420 120.570 -0.110 0.000 2.377 168 I HA 0.613 4.780 4.170 -0.006 0.000 0.293 168 I C -0.291 175.772 176.117 -0.090 0.000 0.987 168 I CA -0.562 60.698 61.300 -0.066 0.000 1.185 168 I CB 1.359 39.346 38.000 -0.022 0.000 1.341 168 I HN 0.588 nan 8.210 nan 0.000 0.455 169 L N 3.626 124.798 121.223 -0.085 0.000 2.409 169 L HA 0.716 5.052 4.340 -0.006 0.000 0.255 169 L C 0.079 176.899 176.870 -0.085 0.000 1.027 169 L CA -1.014 53.770 54.840 -0.093 0.000 0.834 169 L CB 2.097 44.091 42.059 -0.108 0.000 1.426 169 L HN 0.632 nan 8.230 nan 0.000 0.411 170 A N 0.538 123.303 122.820 -0.093 0.000 2.425 170 A HA 0.383 4.700 4.320 -0.006 0.000 0.249 170 A C 0.954 178.477 177.584 -0.101 0.000 1.084 170 A CA -0.295 51.685 52.037 -0.094 0.000 0.781 170 A CB 0.781 19.722 19.000 -0.098 0.000 1.019 170 A HN 0.541 nan 8.150 nan 0.000 0.490 171 V N 2.643 122.500 119.914 -0.094 0.000 2.407 171 V HA -0.266 3.851 4.120 -0.006 0.000 0.248 171 V C 2.890 178.911 176.094 -0.122 0.000 1.055 171 V CA 2.556 64.799 62.300 -0.094 0.000 1.049 171 V CB -1.198 30.579 31.823 -0.076 0.000 0.662 171 V HN 1.013 nan 8.190 nan 0.000 0.455 172 A N 0.458 123.200 122.820 -0.130 0.000 1.940 172 A HA -0.110 4.206 4.320 -0.006 0.000 0.219 172 A C 2.394 179.835 177.584 -0.238 0.000 1.176 172 A CA 1.992 53.926 52.037 -0.173 0.000 0.631 172 A CB -1.126 17.785 19.000 -0.147 0.000 0.814 172 A HN 0.524 nan 8.150 nan 0.000 0.446 173 G N -0.138 108.542 108.800 -0.200 0.000 2.433 173 G HA2 -0.151 3.806 3.960 -0.006 0.000 0.216 173 G HA3 -0.151 3.806 3.960 -0.006 0.000 0.216 173 G C 1.558 176.318 174.900 -0.233 0.000 1.186 173 G CA 1.021 45.989 45.100 -0.220 0.000 0.779 173 G HN 0.425 nan 8.290 nan 0.000 0.543 174 L N 0.134 121.249 121.223 -0.180 0.000 2.046 174 L HA -0.042 4.294 4.340 -0.006 0.000 0.208 174 L C 2.830 179.593 176.870 -0.178 0.000 1.077 174 L CA 1.448 56.194 54.840 -0.158 0.000 0.747 174 L CB -0.343 41.644 42.059 -0.120 0.000 0.896 174 L HN 0.209 nan 8.230 nan 0.000 0.432 175 K N 0.472 120.758 120.400 -0.190 0.000 2.009 175 K HA -0.199 4.118 4.320 -0.006 0.000 0.210 175 K C 2.305 178.741 176.600 -0.273 0.000 1.049 175 K CA 1.503 57.678 56.287 -0.188 0.000 0.929 175 K CB -0.010 32.391 32.500 -0.166 0.000 0.714 175 K HN 0.171 nan 8.250 nan 0.000 0.440 176 R N 0.292 120.515 120.500 -0.463 0.000 2.127 176 R HA -0.074 4.263 4.340 -0.006 0.000 0.238 176 R C 1.980 177.873 176.300 -0.678 0.000 1.134 176 R CA 1.062 56.649 56.100 -0.855 0.000 0.975 176 R CB -0.155 29.239 30.300 -1.510 0.000 0.865 176 R HN 0.248 nan 8.270 nan 0.000 0.447 177 L N -0.219 120.763 121.223 -0.402 0.000 2.612 177 L HA 0.176 4.512 4.340 -0.006 0.000 0.230 177 L C 0.978 177.785 176.870 -0.106 0.000 1.140 177 L CA 0.223 54.938 54.840 -0.207 0.000 0.896 177 L CB 0.092 42.060 42.059 -0.153 0.000 1.065 177 L HN 0.423 nan 8.230 nan 0.000 0.447 178 G N 0.788 109.522 108.800 -0.111 0.000 2.179 178 G HA2 -0.300 3.657 3.960 -0.006 0.000 0.257 178 G HA3 -0.300 3.657 3.960 -0.006 0.000 0.257 178 G C 0.424 175.291 174.900 -0.054 0.000 1.010 178 G CA 0.183 45.249 45.100 -0.056 0.000 0.736 178 G HN 0.382 nan 8.290 nan 0.000 0.513 179 L N 0.507 121.684 121.223 -0.076 0.000 3.062 179 L HA 0.252 4.588 4.340 -0.006 0.000 0.255 179 L C 2.012 178.840 176.870 -0.070 0.000 1.274 179 L CA 0.364 55.164 54.840 -0.066 0.000 1.047 179 L CB 0.052 42.068 42.059 -0.072 0.000 1.402 179 L HN 0.527 nan 8.230 nan 0.000 0.550 180 E N -0.621 119.539 120.200 -0.067 0.000 2.472 180 E HA -0.159 4.187 4.350 -0.006 0.000 0.200 180 E C 1.613 178.186 176.600 -0.044 0.000 1.046 180 E CA 1.185 57.548 56.400 -0.061 0.000 0.871 180 E CB -0.056 29.610 29.700 -0.058 0.000 0.806 180 E HN 0.527 nan 8.360 nan 0.000 0.533 181 S N 0.668 116.344 115.700 -0.039 0.000 2.522 181 S HA 0.063 4.529 4.470 -0.006 0.000 0.227 181 S C 1.776 176.355 174.600 -0.035 0.000 0.986 181 S CA -0.086 58.096 58.200 -0.030 0.000 0.929 181 S CB 0.076 63.261 63.200 -0.025 0.000 0.769 181 S HN 0.091 nan 8.310 nan 0.000 0.529 182 R N 1.178 121.649 120.500 -0.049 0.000 2.276 182 R HA 0.311 4.647 4.340 -0.006 0.000 0.203 182 R C 0.410 176.670 176.300 -0.068 0.000 1.017 182 R CA 0.079 56.141 56.100 -0.063 0.000 1.010 182 R CB -0.709 29.546 30.300 -0.075 0.000 0.900 182 R HN 0.513 nan 8.270 nan 0.000 0.469 183 I N 2.103 122.643 120.570 -0.050 0.000 2.357 183 I HA 0.035 4.202 4.170 -0.006 0.000 0.300 183 I C 1.584 177.705 176.117 0.006 0.000 1.159 183 I CA -0.119 61.162 61.300 -0.032 0.000 1.339 183 I CB 0.457 38.439 38.000 -0.030 0.000 1.458 183 I HN -0.209 nan 8.210 nan 0.000 0.577 184 R N 4.604 125.118 120.500 0.024 0.000 2.115 184 R HA 0.145 4.482 4.340 -0.006 0.000 0.230 184 R C 0.152 176.554 176.300 0.171 0.000 1.111 184 R CA 0.814 56.979 56.100 0.110 0.000 0.976 184 R CB 0.185 30.578 30.300 0.154 0.000 0.870 184 R HN 0.746 nan 8.270 nan 0.000 0.445 185 A N -1.310 121.619 122.820 0.181 0.000 2.534 185 A HA 0.642 4.958 4.320 -0.006 0.000 0.300 185 A C -1.342 176.299 177.584 0.096 0.000 1.054 185 A CA -0.372 51.744 52.037 0.130 0.000 0.858 185 A CB 0.677 19.756 19.000 0.131 0.000 1.333 185 A HN 0.191 nan 8.150 nan 0.000 0.391 186 A N 3.102 125.946 122.820 0.039 0.000 2.396 186 A HA 0.587 4.903 4.320 -0.006 0.000 0.279 186 A C 0.117 177.701 177.584 -0.000 0.000 1.165 186 A CA -0.092 51.952 52.037 0.010 0.000 0.824 186 A CB -0.348 18.647 19.000 -0.010 0.000 1.100 186 A HN 0.927 nan 8.150 nan 0.000 0.516 187 L N 4.569 125.788 121.223 -0.006 0.000 2.360 187 L HA 0.233 4.569 4.340 -0.006 0.000 0.276 187 L C -2.056 174.782 176.870 -0.054 0.000 1.121 187 L CA -1.698 53.126 54.840 -0.026 0.000 0.845 187 L CB 0.658 42.704 42.059 -0.021 0.000 1.143 187 L HN 0.448 nan 8.230 nan 0.000 0.452 188 P HA 0.082 nan 4.420 nan 0.000 0.269 188 P C -2.053 175.195 177.300 -0.087 0.000 1.209 188 P CA -1.039 62.030 63.100 -0.052 0.000 0.776 188 P CB 0.245 31.932 31.700 -0.021 0.000 0.876 189 P HA -0.182 nan 4.420 nan 0.000 0.221 189 P C 0.898 178.137 177.300 -0.103 0.000 1.145 189 P CA 1.409 64.387 63.100 -0.203 0.000 0.795 189 P CB 0.050 31.582 31.700 -0.280 0.000 0.775 190 E N -1.122 119.053 120.200 -0.041 0.000 2.152 190 E HA -0.051 4.295 4.350 -0.006 0.000 0.192 190 E C 1.799 178.385 176.600 -0.024 0.000 0.983 190 E CA 0.840 57.233 56.400 -0.011 0.000 0.818 190 E CB -0.571 29.145 29.700 0.027 0.000 0.758 190 E HN 0.301 nan 8.360 nan 0.000 0.467 191 I N -1.165 119.383 120.570 -0.037 0.000 3.228 191 I HA 0.050 4.217 4.170 -0.006 0.000 0.279 191 I C 0.518 176.606 176.117 -0.048 0.000 1.221 191 I CA 0.234 61.511 61.300 -0.038 0.000 1.458 191 I CB 0.601 38.577 38.000 -0.040 0.000 1.105 191 I HN -0.149 nan 8.210 nan 0.000 0.445 192 S N 1.234 116.894 115.700 -0.067 0.000 2.423 192 S HA 0.287 4.753 4.470 -0.006 0.000 0.213 192 S C -0.866 173.666 174.600 -0.114 0.000 1.131 192 S CA -0.542 57.614 58.200 -0.074 0.000 1.155 192 S CB 0.352 63.512 63.200 -0.067 0.000 1.202 192 S HN 0.070 nan 8.310 nan 0.000 0.441 193 L N 6.026 127.189 121.223 -0.099 0.000 2.477 193 L HA 0.442 4.779 4.340 -0.006 0.000 0.272 193 L C -2.273 174.522 176.870 -0.125 0.000 1.157 193 L CA -0.990 53.777 54.840 -0.122 0.000 0.889 193 L CB 0.178 42.198 42.059 -0.066 0.000 1.158 193 L HN 0.338 nan 8.230 nan 0.000 0.473 194 P HA 0.089 nan 4.420 nan 0.000 0.269 194 P C -1.015 176.257 177.300 -0.048 0.000 1.217 194 P CA -0.095 62.913 63.100 -0.154 0.000 0.783 194 P CB 0.462 32.003 31.700 -0.265 0.000 0.898 195 A N 2.175 124.975 122.820 -0.034 0.000 2.332 195 A HA 0.259 4.575 4.320 -0.006 0.000 0.258 195 A C 0.076 177.672 177.584 0.021 0.000 1.087 195 A CA -0.560 51.473 52.037 -0.007 0.000 0.802 195 A CB 0.098 19.091 19.000 -0.012 0.000 1.042 195 A HN 0.465 nan 8.150 nan 0.000 0.489 196 V N 2.250 122.178 119.914 0.025 0.000 2.584 196 V HA 0.364 4.481 4.120 -0.006 0.000 0.303 196 V C 1.410 177.529 176.094 0.042 0.000 1.035 196 V CA 1.771 64.093 62.300 0.036 0.000 1.172 196 V CB -0.285 31.551 31.823 0.022 0.000 0.896 196 V HN 2.423 nan 8.190 nan 0.000 0.486 197 G N 3.631 112.467 108.800 0.060 0.000 2.166 197 G HA2 -0.347 3.609 3.960 -0.006 0.000 0.260 197 G HA3 -0.347 3.609 3.960 -0.006 0.000 0.260 197 G C 0.355 175.286 174.900 0.052 0.000 0.986 197 G CA 0.725 45.861 45.100 0.060 0.000 0.683 197 G HN 1.313 nan 8.290 nan 0.000 0.527 198 Q N -0.393 119.432 119.800 0.041 0.000 2.263 198 Q HA 0.401 4.738 4.340 -0.006 0.000 0.289 198 Q C 1.559 177.566 176.000 0.012 0.000 1.061 198 Q CA 1.512 57.320 55.803 0.007 0.000 0.927 198 Q CB -0.101 28.623 28.738 -0.023 0.000 1.154 198 Q HN 1.529 nan 8.270 nan 0.000 0.378 199 G N 2.066 110.859 108.800 -0.011 0.000 2.238 199 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.217 199 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.217 199 G C -0.158 174.740 174.900 -0.003 0.000 0.996 199 G CA -0.151 44.937 45.100 -0.020 0.000 0.632 199 G HN 0.977 nan 8.290 nan 0.000 0.503 200 A N -0.100 122.738 122.820 0.030 0.000 2.340 200 A HA 0.935 5.252 4.320 -0.006 0.000 0.331 200 A C 0.132 177.763 177.584 0.078 0.000 1.140 200 A CA 0.039 52.111 52.037 0.058 0.000 0.801 200 A CB 1.897 20.945 19.000 0.081 0.000 1.234 200 A HN 1.855 nan 8.150 nan 0.000 0.469 201 V N 0.295 120.278 119.914 0.113 0.000 2.483 201 V HA 0.924 5.040 4.120 -0.006 0.000 0.295 201 V C 0.185 176.384 176.094 0.176 0.000 1.035 201 V CA 0.197 62.590 62.300 0.155 0.000 0.896 201 V CB 1.177 33.120 31.823 0.201 0.000 0.986 201 V HN 1.346 nan 8.190 nan 0.000 0.447 202 G N 4.411 113.326 108.800 0.191 0.000 2.448 202 G HA2 0.727 4.683 3.960 -0.006 0.000 0.324 202 G HA3 0.727 4.683 3.960 -0.006 0.000 0.324 202 G C -0.986 174.052 174.900 0.231 0.000 1.203 202 G CA -0.952 44.261 45.100 0.189 0.000 0.954 202 G HN 0.898 nan 8.290 nan 0.000 0.480 203 I N 0.939 121.611 120.570 0.170 0.000 2.354 203 I HA 0.350 4.516 4.170 -0.006 0.000 0.292 203 I C 0.029 176.224 176.117 0.130 0.000 0.989 203 I CA -0.585 60.800 61.300 0.143 0.000 1.188 203 I CB 2.007 40.056 38.000 0.082 0.000 1.342 203 I HN 0.518 nan 8.210 nan 0.000 0.457 204 E N 6.617 126.921 120.200 0.173 0.000 2.191 204 E HA 0.667 5.014 4.350 -0.006 0.000 0.274 204 E C -1.168 175.476 176.600 0.073 0.000 0.948 204 E CA -0.578 55.900 56.400 0.131 0.000 0.802 204 E CB 2.073 31.946 29.700 0.288 0.000 1.137 204 E HN 0.860 nan 8.360 nan 0.000 0.397 205 C N 1.569 120.879 119.300 0.018 0.000 3.336 205 C HA 0.601 5.057 4.460 -0.006 0.000 0.339 205 C C -0.794 174.190 174.990 -0.009 0.000 1.468 205 C CA -1.093 57.930 59.018 0.009 0.000 1.287 205 C CB 0.759 28.497 27.740 -0.003 0.000 1.682 205 C HN 0.878 nan 8.230 nan 0.000 0.451 206 R N 1.361 121.858 120.500 -0.004 0.000 2.370 206 R HA 0.282 4.619 4.340 -0.006 0.000 0.309 206 R C 1.155 177.443 176.300 -0.021 0.000 1.059 206 R CA -0.186 55.909 56.100 -0.007 0.000 0.981 206 R CB 0.462 30.761 30.300 -0.001 0.000 0.972 206 R HN 0.684 nan 8.270 nan 0.000 0.437 207 L N 2.507 123.712 121.223 -0.031 0.000 2.081 207 L HA -0.278 4.058 4.340 -0.006 0.000 0.212 207 L C 1.861 178.717 176.870 -0.023 0.000 1.080 207 L CA 1.502 56.321 54.840 -0.036 0.000 0.754 207 L CB -0.461 41.573 42.059 -0.042 0.000 0.893 207 L HN 0.757 nan 8.230 nan 0.000 0.433 208 D N -1.261 119.130 120.400 -0.015 0.000 2.317 208 D HA -0.172 4.464 4.640 -0.006 0.000 0.211 208 D C 0.801 177.094 176.300 -0.013 0.000 0.966 208 D CA 0.367 54.361 54.000 -0.012 0.000 0.876 208 D CB -0.412 40.384 40.800 -0.007 0.000 0.927 208 D HN 0.207 nan 8.370 nan 0.000 0.519 209 D N 1.714 122.105 120.400 -0.014 0.000 2.541 209 D HA -0.012 4.625 4.640 -0.006 0.000 0.231 209 D C 1.487 177.776 176.300 -0.019 0.000 1.163 209 D CA -0.014 53.976 54.000 -0.016 0.000 1.077 209 D CB 0.457 41.247 40.800 -0.017 0.000 1.110 209 D HN 0.107 nan 8.370 nan 0.000 0.499 210 S N 3.234 118.924 115.700 -0.017 0.000 2.359 210 S HA -0.234 4.232 4.470 -0.006 0.000 0.224 210 S C 1.993 176.580 174.600 -0.021 0.000 1.035 210 S CA 0.355 58.545 58.200 -0.016 0.000 1.018 210 S CB -0.108 63.084 63.200 -0.013 0.000 0.876 210 S HN 0.368 nan 8.310 nan 0.000 0.448 211 R N 1.414 121.899 120.500 -0.025 0.000 2.112 211 R HA -0.125 4.211 4.340 -0.006 0.000 0.242 211 R C 2.348 178.619 176.300 -0.049 0.000 1.137 211 R CA 2.398 58.477 56.100 -0.036 0.000 0.944 211 R CB -1.669 28.609 30.300 -0.037 0.000 0.857 211 R HN 0.573 nan 8.270 nan 0.000 0.435 212 T N 0.846 115.374 114.554 -0.043 0.000 2.777 212 T HA -0.055 4.291 4.350 -0.006 0.000 0.266 212 T C 1.933 176.610 174.700 -0.037 0.000 1.040 212 T CA 1.183 63.255 62.100 -0.047 0.000 1.141 212 T CB -0.084 68.762 68.868 -0.035 0.000 0.868 212 T HN 0.370 nan 8.240 nan 0.000 0.444 213 R N 1.169 121.654 120.500 -0.025 0.000 2.091 213 R HA -0.119 4.218 4.340 -0.006 0.000 0.238 213 R C 2.667 178.964 176.300 -0.006 0.000 1.136 213 R CA 1.639 57.731 56.100 -0.015 0.000 0.959 213 R CB -0.296 29.996 30.300 -0.014 0.000 0.856 213 R HN 0.672 nan 8.270 nan 0.000 0.437 214 E N 1.083 121.277 120.200 -0.010 0.000 2.106 214 E HA -0.186 4.161 4.350 -0.006 0.000 0.192 214 E C 2.071 178.682 176.600 0.019 0.000 0.984 214 E CA 1.052 57.455 56.400 0.006 0.000 0.806 214 E CB -0.436 29.265 29.700 0.003 0.000 0.750 214 E HN 0.333 nan 8.360 nan 0.000 0.458 215 L N 0.149 121.349 121.223 -0.039 0.000 2.141 215 L HA -0.139 4.197 4.340 -0.006 0.000 0.209 215 L C 2.418 179.310 176.870 0.037 0.000 1.094 215 L CA 0.435 55.217 54.840 -0.096 0.000 0.763 215 L CB -0.211 41.682 42.059 -0.277 0.000 0.908 215 L HN 0.109 nan 8.230 nan 0.000 0.437 216 L N -0.635 120.597 121.223 0.015 0.000 2.418 216 L HA 0.038 4.374 4.340 -0.006 0.000 0.218 216 L C 2.557 179.457 176.870 0.049 0.000 1.125 216 L CA 1.225 56.083 54.840 0.030 0.000 0.835 216 L CB -0.743 41.323 42.059 0.012 0.000 0.953 216 L HN 0.119 nan 8.230 nan 0.000 0.454 217 A N -0.198 122.654 122.820 0.053 0.000 1.873 217 A HA -0.264 4.052 4.320 -0.006 0.000 0.218 217 A C 2.441 180.059 177.584 0.058 0.000 1.193 217 A CA 1.934 54.002 52.037 0.052 0.000 0.629 217 A CB -1.008 18.018 19.000 0.044 0.000 0.826 217 A HN 0.402 nan 8.150 nan 0.000 0.447 218 A N -1.414 121.444 122.820 0.063 0.000 2.131 218 A HA 0.038 4.354 4.320 -0.006 0.000 0.220 218 A C 1.780 179.392 177.584 0.046 0.000 1.158 218 A CA 1.572 53.635 52.037 0.043 0.000 0.665 218 A CB -0.408 18.600 19.000 0.012 0.000 0.795 218 A HN 0.413 nan 8.150 nan 0.000 0.460 219 L N -0.709 120.545 121.223 0.052 0.000 2.558 219 L HA 0.160 4.496 4.340 -0.006 0.000 0.225 219 L C 0.724 177.654 176.870 0.101 0.000 1.128 219 L CA 0.215 55.086 54.840 0.052 0.000 0.868 219 L CB -0.713 41.360 42.059 0.023 0.000 1.006 219 L HN 0.344 nan 8.230 nan 0.000 0.454 220 N N 0.014 118.777 118.700 0.105 0.000 2.470 220 N HA -0.042 4.694 4.740 -0.006 0.000 0.268 220 N C -0.295 175.328 175.510 0.189 0.000 1.136 220 N CA 0.174 53.303 53.050 0.132 0.000 0.961 220 N CB 0.221 38.768 38.487 0.100 0.000 1.067 220 N HN 0.126 nan 8.380 nan 0.000 0.468 221 H N 2.656 121.781 119.070 0.093 0.000 2.724 221 H HA 0.041 4.593 4.556 -0.006 0.000 0.278 221 H C 0.723 176.110 175.328 0.098 0.000 1.159 221 H CA -0.341 55.766 56.048 0.098 0.000 1.254 221 H CB 0.349 30.166 29.762 0.092 0.000 1.412 221 H HN 0.835 nan 8.280 nan 0.000 0.488 222 H N 3.482 122.449 119.070 -0.172 0.000 2.330 222 H HA -0.270 4.281 4.556 -0.008 0.000 0.290 222 H C 2.030 177.245 175.328 -0.188 0.000 1.111 222 H CA 2.716 58.672 56.048 -0.154 0.000 1.226 222 H CB 0.288 29.977 29.762 -0.120 0.000 1.355 222 H HN 0.789 nan 8.280 nan 0.000 0.485 223 E N -1.277 118.643 120.200 -0.467 0.000 2.077 223 E HA -0.149 4.197 4.350 -0.006 0.000 0.193 223 E C 1.861 178.330 176.600 -0.219 0.000 0.989 223 E CA 1.648 57.831 56.400 -0.361 0.000 0.800 223 E CB -0.026 29.515 29.700 -0.265 0.000 0.746 223 E HN 0.565 nan 8.360 nan 0.000 0.452 224 T N 0.464 114.954 114.554 -0.107 0.000 2.904 224 T HA -0.012 4.335 4.350 -0.006 0.000 0.267 224 T C 1.778 176.472 174.700 -0.009 0.000 1.059 224 T CA 0.913 63.049 62.100 0.061 0.000 1.137 224 T CB -0.124 68.906 68.868 0.270 0.000 0.879 224 T HN 0.319 nan 8.240 nan 0.000 0.467 225 A N 1.445 124.229 122.820 -0.060 0.000 1.898 225 A HA 0.040 4.356 4.320 -0.006 0.000 0.216 225 A C 2.266 179.788 177.584 -0.104 0.000 1.181 225 A CA 1.065 53.069 52.037 -0.055 0.000 0.620 225 A CB -0.845 18.131 19.000 -0.041 0.000 0.819 225 A HN 0.447 nan 8.150 nan 0.000 0.442 226 L N -0.786 120.308 121.223 -0.215 0.000 1.990 226 L HA -0.259 4.077 4.340 -0.006 0.000 0.213 226 L C 2.947 179.751 176.870 -0.111 0.000 1.072 226 L CA 1.787 56.513 54.840 -0.189 0.000 0.755 226 L CB -0.533 41.366 42.059 -0.266 0.000 0.889 226 L HN 0.382 nan 8.230 nan 0.000 0.432 227 R N -0.591 119.846 120.500 -0.105 0.000 2.081 227 R HA -0.124 4.212 4.340 -0.006 0.000 0.235 227 R C 2.130 178.390 176.300 -0.066 0.000 1.131 227 R CA 1.460 57.504 56.100 -0.094 0.000 0.960 227 R CB -0.588 29.654 30.300 -0.096 0.000 0.856 227 R HN 0.257 nan 8.270 nan 0.000 0.436 228 V N 0.563 120.458 119.914 -0.033 0.000 2.719 228 V HA -0.143 3.973 4.120 -0.006 0.000 0.252 228 V C 2.116 178.209 176.094 -0.001 0.000 1.065 228 V CA 1.768 64.066 62.300 -0.003 0.000 1.086 228 V CB -0.424 31.415 31.823 0.027 0.000 0.700 228 V HN 0.361 nan 8.190 nan 0.000 0.467 229 T N 0.755 115.302 114.554 -0.012 0.000 2.746 229 T HA -0.135 4.212 4.350 -0.006 0.000 0.267 229 T C 2.126 176.823 174.700 -0.006 0.000 1.039 229 T CA 1.659 63.758 62.100 -0.002 0.000 1.142 229 T CB -0.343 68.519 68.868 -0.010 0.000 0.866 229 T HN 0.565 nan 8.240 nan 0.000 0.444 230 A N 1.714 124.521 122.820 -0.023 0.000 1.877 230 A HA -0.132 4.185 4.320 -0.006 0.000 0.216 230 A C 2.188 179.758 177.584 -0.024 0.000 1.186 230 A CA 1.643 53.665 52.037 -0.025 0.000 0.620 230 A CB -0.570 18.405 19.000 -0.041 0.000 0.822 230 A HN 0.577 nan 8.150 nan 0.000 0.443 231 E N -0.562 119.620 120.200 -0.030 0.000 2.085 231 E HA -0.197 4.150 4.350 -0.006 0.000 0.194 231 E C 2.306 178.905 176.600 -0.002 0.000 0.994 231 E CA 1.254 57.641 56.400 -0.020 0.000 0.801 231 E CB -0.175 29.518 29.700 -0.012 0.000 0.743 231 E HN 0.511 nan 8.360 nan 0.000 0.453 232 R N 0.161 120.666 120.500 0.009 0.000 2.115 232 R HA 0.019 4.356 4.340 -0.006 0.000 0.226 232 R C 2.310 178.622 176.300 0.019 0.000 1.100 232 R CA 0.799 56.912 56.100 0.021 0.000 0.980 232 R CB -0.107 30.218 30.300 0.042 0.000 0.875 232 R HN 0.102 nan 8.270 nan 0.000 0.445 233 A N 1.048 123.876 122.820 0.014 0.000 1.933 233 A HA -0.176 4.140 4.320 -0.006 0.000 0.218 233 A C 2.090 179.678 177.584 0.007 0.000 1.175 233 A CA 1.073 53.118 52.037 0.014 0.000 0.628 233 A CB -0.349 18.657 19.000 0.010 0.000 0.814 233 A HN 0.158 nan 8.150 nan 0.000 0.444 234 M N 0.157 119.757 119.600 0.001 0.000 2.067 234 M HA -0.161 4.316 4.480 -0.006 0.000 0.260 234 M C 1.703 178.002 176.300 -0.002 0.000 1.069 234 M CA 2.034 57.332 55.300 -0.003 0.000 1.117 234 M CB -1.385 31.209 32.600 -0.011 0.000 1.334 234 M HN 0.459 nan 8.290 nan 0.000 0.407 235 N N -0.552 118.148 118.700 -0.001 0.000 2.166 235 N HA -0.110 4.626 4.740 -0.006 0.000 0.186 235 N C 1.486 176.993 175.510 -0.005 0.000 1.019 235 N CA 2.154 55.202 53.050 -0.004 0.000 0.856 235 N CB -0.326 38.160 38.487 -0.003 0.000 0.993 235 N HN 0.382 nan 8.380 nan 0.000 0.426 236 T N -0.204 114.350 114.554 0.001 0.000 2.788 236 T HA -0.139 4.208 4.350 -0.006 0.000 0.268 236 T C 1.879 176.579 174.700 -0.000 0.000 1.044 236 T CA 1.139 63.240 62.100 0.001 0.000 1.139 236 T CB -0.132 68.746 68.868 0.017 0.000 0.867 236 T HN 0.145 nan 8.240 nan 0.000 0.454 237 R N 0.753 121.254 120.500 0.002 0.000 2.115 237 R HA 0.142 4.479 4.340 -0.006 0.000 0.226 237 R C 1.801 178.099 176.300 -0.002 0.000 1.100 237 R CA 0.975 57.076 56.100 0.002 0.000 0.980 237 R CB -0.896 29.406 30.300 0.003 0.000 0.875 237 R HN 0.238 nan 8.270 nan 0.000 0.445 238 L N 1.024 122.244 121.223 -0.004 0.000 2.554 238 L HA 0.119 4.455 4.340 -0.006 0.000 0.226 238 L C 0.132 176.996 176.870 -0.010 0.000 1.137 238 L CA 0.805 55.641 54.840 -0.006 0.000 0.863 238 L CB -0.560 41.495 42.059 -0.007 0.000 0.985 238 L HN 0.309 nan 8.230 nan 0.000 0.451 239 E N -0.274 119.919 120.200 -0.013 0.000 2.228 239 E HA -0.188 4.158 4.350 -0.006 0.000 0.213 239 E C 0.488 177.074 176.600 -0.024 0.000 1.282 239 E CA 0.688 57.076 56.400 -0.020 0.000 0.707 239 E CB -1.166 28.523 29.700 -0.018 0.000 1.150 239 E HN 0.459 nan 8.360 nan 0.000 0.362 240 G N -0.946 107.840 108.800 -0.022 0.000 2.613 240 G HA2 0.832 4.788 3.960 -0.006 0.000 0.303 240 G HA3 0.832 4.788 3.960 -0.006 0.000 0.303 240 G C 0.335 175.219 174.900 -0.027 0.000 1.312 240 G CA -0.130 44.957 45.100 -0.021 0.000 1.036 240 G HN 0.527 nan 8.290 nan 0.000 0.513 241 G N -2.594 106.194 108.800 -0.020 0.000 2.815 241 G HA2 0.355 4.312 3.960 -0.006 0.000 0.305 241 G HA3 0.355 4.312 3.960 -0.006 0.000 0.305 241 G C 0.637 175.537 174.900 -0.000 0.000 1.277 241 G CA 0.434 45.523 45.100 -0.018 0.000 0.795 241 G HN 0.724 nan 8.290 nan 0.000 0.528 242 C N -0.078 119.233 119.300 0.018 0.000 2.432 242 C HA 0.210 4.666 4.460 -0.006 0.000 0.280 242 C C 3.294 178.297 174.990 0.022 0.000 1.353 242 C CA 1.909 60.949 59.018 0.035 0.000 1.766 242 C CB -1.049 26.743 27.740 0.087 0.000 1.924 242 C HN 0.884 nan 8.230 nan 0.000 0.509 243 Q N 0.376 120.182 119.800 0.011 0.000 2.466 243 Q HA 0.348 4.684 4.340 -0.006 0.000 0.210 243 Q C 0.594 176.593 176.000 -0.002 0.000 0.961 243 Q CA 1.118 56.922 55.803 0.003 0.000 0.953 243 Q CB -0.753 nan 28.738 nan 0.000 1.011 243 Q HN 0.763 nan 8.270 nan 0.000 0.516 244 V N -3.292 116.620 119.914 -0.003 0.000 2.628 244 V HA 0.680 4.796 4.120 -0.006 0.000 0.306 244 V C -2.811 173.280 176.094 -0.005 0.000 1.045 244 V CA -2.910 59.387 62.300 -0.006 0.000 0.905 244 V CB 1.996 33.814 31.823 -0.009 0.000 0.997 244 V HN 0.126 nan 8.190 nan 0.000 0.436 245 P HA 0.348 nan 4.420 nan 0.000 0.244 245 P C -0.591 176.704 177.300 -0.009 0.000 1.723 245 P CA 0.402 63.498 63.100 -0.007 0.000 1.110 245 P CB -0.267 31.429 31.700 -0.007 0.000 1.972 246 I N 1.099 121.663 120.570 -0.009 0.000 2.498 246 I HA 0.483 4.650 4.170 -0.006 0.000 0.290 246 I C 0.676 176.786 176.117 -0.011 0.000 1.032 246 I CA -0.789 60.506 61.300 -0.010 0.000 1.073 246 I CB 2.538 40.534 38.000 -0.008 0.000 1.251 246 I HN 0.103 nan 8.210 nan 0.000 0.426 247 G N 2.584 111.376 108.800 -0.013 0.000 2.400 247 G HA2 0.596 4.552 3.960 -0.006 0.000 0.333 247 G HA3 0.596 4.552 3.960 -0.006 0.000 0.333 247 G C -1.070 173.826 174.900 -0.006 0.000 1.143 247 G CA -0.429 44.662 45.100 -0.014 0.000 0.914 247 G HN 0.465 nan 8.290 nan 0.000 0.480 248 S N 0.582 116.289 115.700 0.012 0.000 2.545 248 S HA 0.466 4.932 4.470 -0.006 0.000 0.259 248 S C -2.064 172.584 174.600 0.080 0.000 1.092 248 S CA -0.620 57.590 58.200 0.017 0.000 1.054 248 S CB 0.378 63.580 63.200 0.004 0.000 1.146 248 S HN 0.840 nan 8.310 nan 0.000 0.447 249 Y N 3.535 123.762 120.300 -0.121 0.000 2.433 249 Y HA 0.743 5.289 4.550 -0.006 0.000 0.337 249 Y C -0.889 174.904 175.900 -0.179 0.000 1.026 249 Y CA -0.300 57.722 58.100 -0.131 0.000 1.037 249 Y CB 1.760 40.137 38.460 -0.139 0.000 1.245 249 Y HN 0.840 nan 8.280 nan 0.000 0.443 250 A N 5.170 127.584 122.820 -0.678 0.000 2.401 250 A HA 0.836 5.153 4.320 -0.006 0.000 0.310 250 A C -1.280 175.883 177.584 -0.702 0.000 1.075 250 A CA -0.717 50.971 52.037 -0.580 0.000 0.746 250 A CB 1.529 20.364 19.000 -0.275 0.000 1.277 250 A HN 0.782 nan 8.150 nan 0.000 0.425 251 E N 0.819 120.769 120.200 -0.416 0.000 2.369 251 E HA 0.365 4.712 4.350 -0.006 0.000 0.270 251 E C -1.513 175.069 176.600 -0.031 0.000 0.909 251 E CA -0.975 55.297 56.400 -0.212 0.000 0.775 251 E CB 2.085 31.727 29.700 -0.096 0.000 1.270 251 E HN 0.373 nan 8.360 nan 0.000 0.445 252 L N 3.306 124.526 121.223 -0.003 0.000 2.352 252 L HA 0.301 4.637 4.340 -0.006 0.000 0.272 252 L C -0.924 175.976 176.870 0.049 0.000 1.109 252 L CA -0.294 54.557 54.840 0.019 0.000 0.952 252 L CB -0.003 42.057 42.059 0.002 0.000 1.314 252 L HN 0.474 nan 8.230 nan 0.000 0.427 253 I N 3.934 124.548 120.570 0.072 0.000 2.291 253 I HA 0.177 4.343 4.170 -0.006 0.000 0.290 253 I C 0.265 176.391 176.117 0.016 0.000 1.050 253 I CA -0.350 60.982 61.300 0.053 0.000 1.245 253 I CB 0.576 38.611 38.000 0.059 0.000 1.405 253 I HN 0.449 nan 8.210 nan 0.000 0.478 254 D N 5.623 126.030 120.400 0.011 0.000 2.737 254 D HA -0.182 4.455 4.640 -0.006 0.000 0.238 254 D C 1.230 177.533 176.300 0.004 0.000 1.157 254 D CA 1.302 55.303 54.000 0.002 0.000 0.694 254 D CB -0.877 39.914 40.800 -0.015 0.000 1.021 254 D HN 1.094 nan 8.370 nan 0.000 0.420 255 G N 0.099 108.906 108.800 0.012 0.000 2.168 255 G HA2 -0.331 3.626 3.960 -0.006 0.000 0.257 255 G HA3 -0.331 3.626 3.960 -0.006 0.000 0.257 255 G C 0.054 174.963 174.900 0.014 0.000 0.997 255 G CA 0.829 45.937 45.100 0.014 0.000 0.708 255 G HN 0.546 nan 8.290 nan 0.000 0.520 256 E N -0.667 119.544 120.200 0.018 0.000 2.314 256 E HA 0.489 4.835 4.350 -0.006 0.000 0.272 256 E C -0.155 176.475 176.600 0.049 0.000 0.884 256 E CA -1.158 55.257 56.400 0.026 0.000 0.753 256 E CB 1.524 31.235 29.700 0.018 0.000 1.213 256 E HN 0.055 nan 8.360 nan 0.000 0.432 257 I N 2.401 122.999 120.570 0.048 0.000 2.396 257 I HA 0.061 4.228 4.170 -0.006 0.000 0.289 257 I C -0.419 175.786 176.117 0.147 0.000 1.056 257 I CA -0.108 61.224 61.300 0.053 0.000 1.365 257 I CB 0.029 38.035 38.000 0.010 0.000 1.407 257 I HN 0.557 nan 8.210 nan 0.000 0.509 258 W N 9.516 130.771 121.300 -0.075 0.000 2.282 258 W HA 0.448 5.104 4.660 -0.007 0.000 0.322 258 W C -1.360 175.109 176.519 -0.084 0.000 1.011 258 W CA -1.325 55.983 57.345 -0.062 0.000 1.392 258 W CB 0.818 30.248 29.460 -0.050 0.000 1.215 258 W HN 0.279 nan 8.180 nan 0.000 0.394 259 L N 6.982 128.141 121.223 -0.108 0.000 2.289 259 L HA 0.626 4.962 4.340 -0.006 0.000 0.285 259 L C -0.379 176.283 176.870 -0.347 0.000 1.049 259 L CA -0.320 54.373 54.840 -0.246 0.000 0.804 259 L CB 0.931 42.931 42.059 -0.098 0.000 1.195 259 L HN 0.449 nan 8.230 nan 0.000 0.428 260 R N 3.355 123.628 120.500 -0.378 0.000 2.807 260 R HA 0.958 5.294 4.340 -0.006 0.000 0.276 260 R C -1.445 174.773 176.300 -0.136 0.000 0.979 260 R CA -0.729 55.196 56.100 -0.291 0.000 0.928 260 R CB 2.119 32.168 30.300 -0.419 0.000 1.191 260 R HN 0.847 nan 8.270 nan 0.000 0.471 261 A N 1.697 124.468 122.820 -0.081 0.000 2.601 261 A HA 0.720 5.036 4.320 -0.006 0.000 0.291 261 A C -1.987 175.580 177.584 -0.028 0.000 1.075 261 A CA -0.666 51.345 52.037 -0.043 0.000 0.671 261 A CB 1.430 20.411 19.000 -0.033 0.000 1.277 261 A HN 0.523 nan 8.150 nan 0.000 0.417 262 L N -2.289 118.922 121.223 -0.020 0.000 2.622 262 L HA 0.942 5.279 4.340 -0.006 0.000 0.258 262 L C -1.521 175.342 176.870 -0.011 0.000 0.996 262 L CA -0.826 54.006 54.840 -0.014 0.000 0.858 262 L CB 1.568 43.617 42.059 -0.016 0.000 1.449 262 L HN 0.686 nan 8.230 nan 0.000 0.411 263 V N 0.519 120.428 119.914 -0.008 0.000 2.612 263 V HA 0.943 5.059 4.120 -0.006 0.000 0.301 263 V C 0.152 176.242 176.094 -0.006 0.000 1.059 263 V CA 0.275 62.570 62.300 -0.007 0.000 0.886 263 V CB 1.406 33.226 31.823 -0.006 0.000 1.007 263 V HN 1.253 nan 8.190 nan 0.000 0.426 264 G N 2.449 111.245 108.800 -0.007 0.000 2.642 264 G HA2 0.785 4.741 3.960 -0.006 0.000 0.293 264 G HA3 0.785 4.741 3.960 -0.006 0.000 0.293 264 G C -0.647 174.250 174.900 -0.005 0.000 1.341 264 G CA -0.274 44.823 45.100 -0.006 0.000 0.916 264 G HN 1.063 nan 8.290 nan 0.000 0.474 265 A N 1.036 123.853 122.820 -0.004 0.000 2.371 265 A HA 0.626 4.942 4.320 -0.006 0.000 0.257 265 A C -1.116 176.466 177.584 -0.003 0.000 1.089 265 A CA -1.009 51.026 52.037 -0.003 0.000 0.794 265 A CB 0.686 19.685 19.000 -0.003 0.000 1.029 265 A HN 0.380 nan 8.150 nan 0.000 0.488 266 P HA -0.195 nan 4.420 nan 0.000 0.216 266 P C 0.556 177.856 177.300 -0.001 0.000 1.150 266 P CA 1.802 64.901 63.100 -0.002 0.000 0.843 266 P CB 0.040 31.740 31.700 -0.000 0.000 0.787 267 D N -1.941 118.458 120.400 -0.001 0.000 2.363 267 D HA 0.031 4.667 4.640 -0.006 0.000 0.220 267 D C 1.427 177.725 176.300 -0.003 0.000 0.994 267 D CA 0.881 54.881 54.000 -0.001 0.000 0.890 267 D CB -1.236 39.563 40.800 -0.001 0.000 0.906 267 D HN 0.220 nan 8.370 nan 0.000 0.530 268 G N 0.127 108.924 108.800 -0.004 0.000 2.155 268 G HA2 -0.383 3.573 3.960 -0.006 0.000 0.257 268 G HA3 -0.383 3.573 3.960 -0.006 0.000 0.257 268 G C 1.206 176.103 174.900 -0.005 0.000 0.983 268 G CA 1.163 46.260 45.100 -0.005 0.000 0.676 268 G HN 0.629 nan 8.290 nan 0.000 0.528 269 S N -1.088 114.609 115.700 -0.004 0.000 2.338 269 S HA 0.080 4.546 4.470 -0.006 0.000 0.218 269 S C 1.075 175.674 174.600 -0.002 0.000 1.032 269 S CA 1.555 59.753 58.200 -0.003 0.000 0.999 269 S CB 0.037 63.235 63.200 -0.002 0.000 0.905 269 S HN 0.766 nan 8.310 nan 0.000 0.439 270 Q N 0.392 120.190 119.800 -0.002 0.000 2.333 270 Q HA 0.638 4.974 4.340 -0.006 0.000 0.265 270 Q C -1.714 174.285 176.000 -0.002 0.000 0.989 270 Q CA -0.476 55.326 55.803 -0.001 0.000 0.842 270 Q CB 1.013 29.750 28.738 -0.001 0.000 1.262 270 Q HN 0.515 nan 8.270 nan 0.000 0.451 271 I N 4.972 125.541 120.570 -0.002 0.000 2.466 271 I HA 0.347 4.513 4.170 -0.006 0.000 0.289 271 I C -0.634 175.482 176.117 -0.000 0.000 1.026 271 I CA -1.010 60.289 61.300 -0.003 0.000 1.078 271 I CB 1.731 39.728 38.000 -0.004 0.000 1.249 271 I HN 0.547 nan 8.210 nan 0.000 0.429 272 I N 6.450 127.020 120.570 -0.001 0.000 2.304 272 I HA 0.408 4.574 4.170 -0.006 0.000 0.291 272 I C 0.312 176.430 176.117 0.001 0.000 1.018 272 I CA -0.293 61.008 61.300 0.002 0.000 1.260 272 I CB 0.737 38.737 38.000 0.001 0.000 1.390 272 I HN 0.519 nan 8.210 nan 0.000 0.475 273 R N 3.537 124.040 120.500 0.006 0.000 2.787 273 R HA 0.866 5.203 4.340 -0.006 0.000 0.271 273 R C -0.044 176.264 176.300 0.013 0.000 0.993 273 R CA -0.902 55.202 56.100 0.006 0.000 0.993 273 R CB 2.572 32.879 30.300 0.011 0.000 1.155 273 R HN 0.837 nan 8.270 nan 0.000 0.486 274 G N 0.408 109.214 108.800 0.011 0.000 2.673 274 G HA2 0.429 4.386 3.960 -0.006 0.000 0.292 274 G HA3 0.429 4.386 3.960 -0.006 0.000 0.292 274 G C -1.711 173.203 174.900 0.022 0.000 1.450 274 G CA -0.684 44.430 45.100 0.022 0.000 0.837 274 G HN 0.638 nan 8.290 nan 0.000 0.505 275 E N -0.864 119.371 120.200 0.057 0.000 2.433 275 E HA 0.833 5.179 4.350 -0.006 0.000 0.278 275 E C -1.203 175.469 176.600 0.119 0.000 0.976 275 E CA -1.260 55.192 56.400 0.086 0.000 0.793 275 E CB 2.748 32.584 29.700 0.226 0.000 1.311 275 E HN 0.430 nan 8.360 nan 0.000 0.460 276 R N 0.526 121.115 120.500 0.149 0.000 2.643 276 R HA 0.519 4.856 4.340 -0.006 0.000 0.269 276 R C -1.858 174.575 176.300 0.223 0.000 1.037 276 R CA -0.626 55.557 56.100 0.139 0.000 0.894 276 R CB 2.235 32.575 30.300 0.068 0.000 1.238 276 R HN 0.675 nan 8.270 nan 0.000 0.459 277 R N 1.599 122.199 120.500 0.167 0.000 2.574 277 R HA 0.774 5.110 4.340 -0.006 0.000 0.288 277 R C -1.207 175.137 176.300 0.074 0.000 1.004 277 R CA -0.427 55.766 56.100 0.154 0.000 0.895 277 R CB 1.955 32.317 30.300 0.103 0.000 1.191 277 R HN 0.845 nan 8.270 nan 0.000 0.444 278 G N 1.187 110.024 108.800 0.061 0.000 2.548 278 G HA2 0.520 4.476 3.960 -0.006 0.000 0.301 278 G HA3 0.520 4.476 3.960 -0.006 0.000 0.301 278 G C -1.574 173.343 174.900 0.028 0.000 1.349 278 G CA -0.368 44.753 45.100 0.035 0.000 0.792 278 G HN 0.693 nan 8.290 nan 0.000 0.481 279 A N 0.180 123.012 122.820 0.020 0.000 2.462 279 A HA 0.602 4.918 4.320 -0.006 0.000 0.243 279 A C -0.906 176.688 177.584 0.016 0.000 1.076 279 A CA -0.441 51.606 52.037 0.017 0.000 0.773 279 A CB 0.256 19.266 19.000 0.016 0.000 1.010 279 A HN 0.340 nan 8.150 nan 0.000 0.493 280 P HA -0.228 nan 4.420 nan 0.000 0.216 280 P C 1.028 178.336 177.300 0.012 0.000 1.154 280 P CA 1.727 64.831 63.100 0.007 0.000 0.865 280 P CB 0.082 31.792 31.700 0.016 0.000 0.789 281 Q N -0.806 119.009 119.800 0.024 0.000 2.297 281 Q HA -0.132 4.204 4.340 -0.006 0.000 0.208 281 Q C 0.969 176.980 176.000 0.017 0.000 0.981 281 Q CA 1.198 57.016 55.803 0.025 0.000 0.876 281 Q CB -0.723 28.030 28.738 0.025 0.000 0.921 281 Q HN 0.372 nan 8.270 nan 0.000 0.446 282 D N -0.578 119.831 120.400 0.014 0.000 2.491 282 D HA 0.235 4.871 4.640 -0.006 0.000 0.228 282 D C 0.868 177.173 176.300 0.009 0.000 1.183 282 D CA 0.346 54.354 54.000 0.013 0.000 0.827 282 D CB 0.421 41.229 40.800 0.014 0.000 0.989 282 D HN 0.234 nan 8.370 nan 0.000 0.494 283 A N 1.174 123.996 122.820 0.004 0.000 1.873 283 A HA -0.254 4.062 4.320 -0.006 0.000 0.218 283 A C 2.110 179.693 177.584 -0.001 0.000 1.193 283 A CA 1.458 53.493 52.037 -0.005 0.000 0.629 283 A CB -0.354 18.635 19.000 -0.018 0.000 0.826 283 A HN 0.254 nan 8.150 nan 0.000 0.447 284 E N -1.097 119.105 120.200 0.003 0.000 2.051 284 E HA -0.230 4.116 4.350 -0.006 0.000 0.192 284 E C 2.219 178.824 176.600 0.009 0.000 0.991 284 E CA 1.273 57.678 56.400 0.007 0.000 0.799 284 E CB -0.093 29.614 29.700 0.012 0.000 0.748 284 E HN 0.564 nan 8.360 nan 0.000 0.449 285 Q N -0.031 119.775 119.800 0.010 0.000 2.119 285 Q HA -0.161 4.175 4.340 -0.006 0.000 0.201 285 Q C 2.320 178.327 176.000 0.011 0.000 0.972 285 Q CA 1.637 57.447 55.803 0.010 0.000 0.847 285 Q CB -0.329 28.416 28.738 0.011 0.000 0.903 285 Q HN 0.553 nan 8.270 nan 0.000 0.433 286 M N -1.842 117.765 119.600 0.011 0.000 2.229 286 M HA 0.058 4.534 4.480 -0.006 0.000 0.264 286 M C 1.859 178.164 176.300 0.009 0.000 1.063 286 M CA 2.007 57.315 55.300 0.014 0.000 1.114 286 M CB -0.612 32.000 32.600 0.019 0.000 1.387 286 M HN -0.003 nan 8.290 nan 0.000 0.420 287 G N 1.184 109.986 108.800 0.003 0.000 2.403 287 G HA2 -0.037 3.919 3.960 -0.006 0.000 0.216 287 G HA3 -0.037 3.919 3.960 -0.006 0.000 0.216 287 G C 1.516 176.417 174.900 0.002 0.000 1.154 287 G CA 0.753 45.851 45.100 -0.002 0.000 0.784 287 G HN 0.501 nan 8.290 nan 0.000 0.538 288 I N 1.068 121.642 120.570 0.006 0.000 2.315 288 I HA -0.152 4.014 4.170 -0.006 0.000 0.248 288 I C 2.941 179.063 176.117 0.007 0.000 1.117 288 I CA 0.947 62.251 61.300 0.007 0.000 1.404 288 I CB -0.011 37.994 38.000 0.009 0.000 1.071 288 I HN 0.100 nan 8.210 nan 0.000 0.419 289 S N 0.704 116.409 115.700 0.009 0.000 2.368 289 S HA -0.152 4.314 4.470 -0.006 0.000 0.224 289 S C 1.884 176.490 174.600 0.010 0.000 1.029 289 S CA 1.027 59.234 58.200 0.011 0.000 0.988 289 S CB -0.389 62.819 63.200 0.014 0.000 0.838 289 S HN 0.295 nan 8.310 nan 0.000 0.462 290 L N 2.256 123.485 121.223 0.010 0.000 2.046 290 L HA -0.015 4.322 4.340 -0.006 0.000 0.208 290 L C 2.369 179.241 176.870 0.004 0.000 1.077 290 L CA 1.913 56.758 54.840 0.008 0.000 0.747 290 L CB -1.192 40.869 42.059 0.003 0.000 0.896 290 L HN 0.246 nan 8.230 nan 0.000 0.432 291 A N -0.725 122.096 122.820 0.002 0.000 1.908 291 A HA -0.249 4.067 4.320 -0.006 0.000 0.218 291 A C 2.158 179.743 177.584 0.002 0.000 1.181 291 A CA 2.000 54.037 52.037 0.001 0.000 0.627 291 A CB -0.665 18.335 19.000 0.000 0.000 0.818 291 A HN 0.650 nan 8.150 nan 0.000 0.445 292 E N -0.838 119.365 120.200 0.004 0.000 2.150 292 E HA -0.188 4.159 4.350 -0.006 0.000 0.193 292 E C 2.045 178.648 176.600 0.006 0.000 0.985 292 E CA 0.986 57.389 56.400 0.005 0.000 0.814 292 E CB -0.142 29.561 29.700 0.006 0.000 0.752 292 E HN 0.832 nan 8.360 nan 0.000 0.466 293 E N 1.190 121.394 120.200 0.008 0.000 2.051 293 E HA -0.186 4.161 4.350 -0.006 0.000 0.192 293 E C 2.195 178.799 176.600 0.007 0.000 0.991 293 E CA 0.700 57.106 56.400 0.009 0.000 0.799 293 E CB 0.046 29.754 29.700 0.013 0.000 0.748 293 E HN 0.201 nan 8.360 nan 0.000 0.449 294 L N 0.651 121.877 121.223 0.006 0.000 2.046 294 L HA -0.209 4.128 4.340 -0.006 0.000 0.208 294 L C 2.693 179.565 176.870 0.003 0.000 1.077 294 L CA 0.853 55.695 54.840 0.004 0.000 0.747 294 L CB -0.511 41.549 42.059 0.001 0.000 0.896 294 L HN 0.294 nan 8.230 nan 0.000 0.432 295 L N -0.030 121.194 121.223 0.002 0.000 2.012 295 L HA -0.258 4.078 4.340 -0.006 0.000 0.210 295 L C 2.324 179.195 176.870 0.002 0.000 1.073 295 L CA 1.361 56.201 54.840 0.001 0.000 0.748 295 L CB -0.599 41.461 42.059 0.001 0.000 0.891 295 L HN 0.399 nan 8.230 nan 0.000 0.431 296 N N -0.317 118.385 118.700 0.003 0.000 2.381 296 N HA -0.138 4.598 4.740 -0.006 0.000 0.182 296 N C 1.191 176.703 175.510 0.004 0.000 1.025 296 N CA 0.791 53.843 53.050 0.004 0.000 0.888 296 N CB -0.376 38.114 38.487 0.005 0.000 0.965 296 N HN 0.349 nan 8.380 nan 0.000 0.438 297 N N -0.079 118.624 118.700 0.005 0.000 2.314 297 N HA 0.066 4.802 4.740 -0.006 0.000 0.200 297 N C 0.832 176.344 175.510 0.003 0.000 1.135 297 N CA 0.441 53.494 53.050 0.005 0.000 0.835 297 N CB 0.763 39.254 38.487 0.006 0.000 0.989 297 N HN 0.353 nan 8.380 nan 0.000 0.478 298 G N -0.178 108.623 108.800 0.002 0.000 2.231 298 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.206 298 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.206 298 G C 1.094 175.995 174.900 0.000 0.000 0.996 298 G CA 0.252 45.353 45.100 0.001 0.000 0.645 298 G HN 0.389 nan 8.290 nan 0.000 0.498 299 A N 0.621 123.441 122.820 0.000 0.000 1.940 299 A HA 0.047 4.363 4.320 -0.006 0.000 0.219 299 A C 2.128 179.711 177.584 -0.002 0.000 1.176 299 A CA 2.458 54.494 52.037 -0.001 0.000 0.631 299 A CB -0.531 18.468 19.000 -0.002 0.000 0.814 299 A HN 0.606 nan 8.150 nan 0.000 0.446 300 R N -0.275 120.224 120.500 -0.001 0.000 2.094 300 R HA -0.235 4.102 4.340 -0.006 0.000 0.239 300 R C 1.952 178.250 176.300 -0.002 0.000 1.137 300 R CA 2.158 58.257 56.100 -0.002 0.000 0.943 300 R CB -0.261 30.038 30.300 -0.001 0.000 0.850 300 R HN 0.524 nan 8.270 nan 0.000 0.433 301 E N 0.297 120.496 120.200 -0.002 0.000 2.072 301 E HA -0.118 4.228 4.350 -0.006 0.000 0.191 301 E C 1.908 178.507 176.600 -0.002 0.000 0.985 301 E CA 1.285 57.683 56.400 -0.002 0.000 0.801 301 E CB -0.109 29.590 29.700 -0.001 0.000 0.750 301 E HN 0.426 nan 8.360 nan 0.000 0.452 302 I N 0.263 120.831 120.570 -0.002 0.000 2.226 302 I HA -0.251 3.916 4.170 -0.006 0.000 0.245 302 I C 2.043 178.158 176.117 -0.004 0.000 1.100 302 I CA 0.913 62.212 61.300 -0.003 0.000 1.374 302 I CB -0.165 37.833 38.000 -0.003 0.000 1.057 302 I HN 0.112 nan 8.210 nan 0.000 0.413 303 L N 0.387 121.608 121.223 -0.004 0.000 2.056 303 L HA -0.158 4.179 4.340 -0.006 0.000 0.207 303 L C 2.843 179.710 176.870 -0.006 0.000 1.078 303 L CA 1.228 56.064 54.840 -0.006 0.000 0.749 303 L CB -0.683 41.372 42.059 -0.006 0.000 0.901 303 L HN 0.215 nan 8.230 nan 0.000 0.433 304 A N -0.169 122.648 122.820 -0.005 0.000 1.978 304 A HA -0.264 4.052 4.320 -0.006 0.000 0.220 304 A C 2.258 179.839 177.584 -0.005 0.000 1.170 304 A CA 1.851 53.885 52.037 -0.005 0.000 0.636 304 A CB -0.528 18.470 19.000 -0.004 0.000 0.810 304 A HN 0.541 nan 8.150 nan 0.000 0.448 305 E N 0.517 120.715 120.200 -0.004 0.000 2.038 305 E HA -0.110 4.237 4.350 -0.006 0.000 0.195 305 E C 1.221 177.818 176.600 -0.004 0.000 1.000 305 E CA 1.653 58.050 56.400 -0.004 0.000 0.803 305 E CB -0.519 29.179 29.700 -0.003 0.000 0.750 305 E HN 0.561 nan 8.360 nan 0.000 0.448 306 V N 0.000 119.911 119.914 -0.005 0.000 2.409 306 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 306 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 306 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 306 V HN 0.000 nan 8.190 nan 0.000 0.556