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 1atj_1_E DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.989 176.000 -0.018 0.000 1.003 1 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 1 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 2 L N 1.559 122.761 121.223 -0.035 0.000 2.326 2 L HA 0.200 nan 4.340 nan 0.000 0.278 2 L C -0.646 176.212 176.870 -0.020 0.000 1.092 2 L CA -0.021 54.778 54.840 -0.068 0.000 0.810 2 L CB 0.616 42.631 42.059 -0.073 0.000 1.153 2 L HN -0.379 7.835 8.230 -0.027 0.000 0.439 3 T N 2.899 117.450 114.554 -0.006 0.000 2.893 3 T HA 0.476 nan 4.350 nan 0.000 0.293 3 T C -1.321 173.399 174.700 0.035 0.000 1.027 3 T CA -2.615 59.507 62.100 0.036 0.000 0.988 3 T CB 1.789 70.701 68.868 0.074 0.000 1.043 3 T HN 0.022 8.234 8.240 -0.047 0.000 0.461 4 P HA 0.004 nan 4.420 nan 0.000 0.226 4 P C -0.346 176.980 177.300 0.043 0.000 1.153 4 P CA 1.405 64.525 63.100 0.032 0.000 0.777 4 P CB 0.405 32.126 31.700 0.036 0.000 0.794 5 T N -6.347 108.235 114.554 0.046 0.000 3.145 5 T HA 0.178 nan 4.350 nan 0.000 0.255 5 T C 1.439 176.148 174.700 0.014 0.000 1.039 5 T CA -1.077 61.042 62.100 0.033 0.000 0.928 5 T CB -0.669 68.206 68.868 0.011 0.000 1.029 5 T HN -0.520 7.701 8.240 0.047 0.047 0.554 6 F N 4.027 123.867 119.950 -0.183 0.000 2.147 6 F HA -0.480 nan 4.527 nan 0.000 0.301 6 F C -0.343 175.229 175.800 -0.380 0.000 1.084 6 F CA 3.947 61.741 58.000 -0.344 0.000 1.268 6 F CB 0.354 39.013 39.000 -0.567 0.000 1.009 6 F HN -0.764 7.531 8.300 0.126 0.081 0.486 7 Y N -7.384 112.977 120.300 0.101 0.000 2.458 7 Y HA 0.060 nan 4.550 nan 0.000 0.256 7 Y C 0.824 176.709 175.900 -0.026 0.000 1.159 7 Y CA -1.151 56.959 58.100 0.018 0.000 1.261 7 Y CB -0.440 38.070 38.460 0.083 0.000 1.119 7 Y HN -0.352 7.940 8.280 0.054 0.020 0.524 8 D N 1.666 122.112 120.400 0.076 0.000 2.221 8 D HA -0.270 nan 4.640 nan 0.000 0.204 8 D C 0.852 177.161 176.300 0.014 0.000 0.982 8 D CA 3.443 57.467 54.000 0.041 0.000 0.857 8 D CB -0.557 40.252 40.800 0.016 0.000 0.934 8 D HN -0.101 8.113 8.370 0.032 0.176 0.475 9 N N -2.794 115.898 118.700 -0.014 0.000 2.454 9 N HA 0.015 nan 4.740 nan 0.000 0.177 9 N C 0.582 176.087 175.510 -0.008 0.000 1.049 9 N CA 1.275 54.312 53.050 -0.022 0.000 0.887 9 N CB 0.934 39.391 38.487 -0.049 0.000 1.095 9 N HN 0.098 8.424 8.380 -0.041 0.029 0.446 10 S N -1.554 114.149 115.700 0.005 0.000 2.406 10 S HA -0.004 nan 4.470 nan 0.000 0.224 10 S C 0.110 174.742 174.600 0.053 0.000 1.030 10 S CA 1.297 59.516 58.200 0.031 0.000 0.958 10 S CB 1.002 64.230 63.200 0.047 0.000 0.811 10 S HN -0.116 8.191 8.310 -0.005 0.000 0.489 11 c N 3.190 121.840 118.600 0.084 0.000 3.432 11 c HA 0.490 nan 4.570 nan 0.000 0.242 11 c C -1.657 172.453 174.090 0.034 0.000 1.152 11 c CA -2.313 54.031 56.329 0.026 0.000 1.242 11 c CB -0.035 42.447 42.510 -0.047 0.000 1.802 11 c HN 0.286 8.475 8.230 0.136 0.123 0.577 12 P HA -0.143 nan 4.420 nan 0.000 0.223 12 P C 0.113 177.417 177.300 0.006 0.000 1.144 12 P CA 2.088 65.204 63.100 0.025 0.000 0.783 12 P CB 0.148 31.856 31.700 0.013 0.000 0.771 13 N N -3.118 115.575 118.700 -0.012 0.000 2.236 13 N HA 0.174 nan 4.740 nan 0.000 0.196 13 N C 1.600 177.084 175.510 -0.043 0.000 1.114 13 N CA 0.250 53.285 53.050 -0.025 0.000 0.859 13 N CB 0.454 38.925 38.487 -0.026 0.000 0.982 13 N HN -0.134 8.181 8.380 -0.016 0.056 0.493 14 V N -1.236 118.642 119.914 -0.060 0.000 2.250 14 V HA -0.545 nan 4.120 nan 0.000 0.250 14 V C 1.311 177.357 176.094 -0.079 0.000 1.060 14 V CA 4.582 66.824 62.300 -0.097 0.000 1.030 14 V CB -1.196 30.532 31.823 -0.159 0.000 0.643 14 V HN -0.339 7.770 8.190 -0.048 0.052 0.445 15 S N -0.089 115.575 115.700 -0.060 0.000 2.399 15 S HA -0.449 nan 4.470 nan 0.000 0.231 15 S C 1.941 176.502 174.600 -0.065 0.000 1.022 15 S CA 4.080 62.237 58.200 -0.071 0.000 0.983 15 S CB -0.826 62.332 63.200 -0.070 0.000 0.803 15 S HN 0.294 8.579 8.310 -0.041 0.000 0.480 16 N N 2.879 121.549 118.700 -0.050 0.000 2.084 16 N HA -0.262 nan 4.740 nan 0.000 0.190 16 N C 2.057 177.540 175.510 -0.044 0.000 1.030 16 N CA 3.379 56.404 53.050 -0.042 0.000 0.849 16 N CB -0.071 38.397 38.487 -0.032 0.000 1.012 16 N HN -0.660 7.679 8.380 -0.044 0.014 0.423 17 I N 0.526 121.067 120.570 -0.048 0.000 2.163 17 I HA -0.538 nan 4.170 nan 0.000 0.243 17 I C 1.612 177.698 176.117 -0.051 0.000 1.085 17 I CA 4.588 65.860 61.300 -0.047 0.000 1.347 17 I CB -0.321 37.648 38.000 -0.053 0.000 1.044 17 I HN -0.059 8.121 8.210 -0.050 0.000 0.408 18 V N 0.140 120.016 119.914 -0.063 0.000 2.295 18 V HA -0.503 nan 4.120 nan 0.000 0.246 18 V C 1.855 177.912 176.094 -0.061 0.000 1.049 18 V CA 4.625 66.885 62.300 -0.068 0.000 1.024 18 V CB -1.118 30.653 31.823 -0.087 0.000 0.648 18 V HN 0.314 8.462 8.190 -0.070 0.000 0.447 19 R N -0.688 119.774 120.500 -0.063 0.000 2.083 19 R HA -0.473 nan 4.340 nan 0.000 0.237 19 R C 1.736 178.013 176.300 -0.039 0.000 1.137 19 R CA 3.855 59.922 56.100 -0.055 0.000 0.951 19 R CB -0.280 29.986 30.300 -0.055 0.000 0.851 19 R HN 0.412 8.532 8.270 -0.067 0.110 0.434 20 D N -1.590 118.789 120.400 -0.035 0.000 2.144 20 D HA -0.217 nan 4.640 nan 0.000 0.199 20 D C 2.507 178.793 176.300 -0.024 0.000 0.984 20 D CA 3.295 57.279 54.000 -0.026 0.000 0.834 20 D CB -0.503 40.282 40.800 -0.024 0.000 0.955 20 D HN 0.227 8.574 8.370 -0.038 0.000 0.465 21 T N 2.843 117.380 114.554 -0.029 0.000 2.708 21 T HA -0.249 nan 4.350 nan 0.000 0.266 21 T C 2.093 176.779 174.700 -0.024 0.000 1.037 21 T CA 4.807 66.892 62.100 -0.025 0.000 1.146 21 T CB -0.356 68.494 68.868 -0.030 0.000 0.865 21 T HN -0.291 7.919 8.240 -0.034 0.009 0.435 22 I N 0.978 121.530 120.570 -0.029 0.000 2.202 22 I HA -0.466 nan 4.170 nan 0.000 0.242 22 I C 1.327 177.434 176.117 -0.016 0.000 1.091 22 I CA 4.569 65.854 61.300 -0.026 0.000 1.368 22 I CB -0.323 37.657 38.000 -0.033 0.000 1.058 22 I HN -0.292 7.823 8.210 -0.035 0.074 0.410 23 V N -0.227 119.678 119.914 -0.015 0.000 2.324 23 V HA -0.615 nan 4.120 nan 0.000 0.250 23 V C 1.973 178.064 176.094 -0.005 0.000 1.060 23 V CA 4.825 67.121 62.300 -0.007 0.000 1.042 23 V CB -1.074 30.744 31.823 -0.008 0.000 0.650 23 V HN 0.277 8.454 8.190 -0.020 0.000 0.450 24 N N -1.938 116.757 118.700 -0.008 0.000 2.069 24 N HA -0.355 nan 4.740 nan 0.000 0.191 24 N C 2.092 177.598 175.510 -0.005 0.000 1.031 24 N CA 3.475 56.521 53.050 -0.006 0.000 0.852 24 N CB 0.113 38.595 38.487 -0.009 0.000 1.018 24 N HN -0.329 8.044 8.380 -0.012 -0.001 0.423 25 E N -0.142 120.053 120.200 -0.009 0.000 2.106 25 E HA -0.258 nan 4.350 nan 0.000 0.192 25 E C 2.484 179.080 176.600 -0.006 0.000 0.984 25 E CA 2.100 58.494 56.400 -0.009 0.000 0.806 25 E CB -0.185 29.506 29.700 -0.016 0.000 0.750 25 E HN -0.454 7.819 8.360 -0.012 0.080 0.458 26 L N -1.507 119.713 121.223 -0.004 0.000 2.129 26 L HA -0.311 nan 4.340 nan 0.000 0.212 26 L C 1.905 178.779 176.870 0.006 0.000 1.087 26 L CA 2.976 57.817 54.840 0.003 0.000 0.757 26 L CB -0.379 41.686 42.059 0.011 0.000 0.896 26 L HN 0.283 8.498 8.230 -0.005 0.012 0.434 27 R N -2.592 117.911 120.500 0.005 0.000 2.120 27 R HA -0.252 nan 4.340 nan 0.000 0.234 27 R C 1.058 177.362 176.300 0.006 0.000 1.123 27 R CA 2.623 58.727 56.100 0.007 0.000 0.975 27 R CB 0.223 30.526 30.300 0.005 0.000 0.866 27 R HN -0.283 7.974 8.270 0.003 0.015 0.446 28 S N -2.980 112.722 115.700 0.003 0.000 2.497 28 S HA 0.047 nan 4.470 nan 0.000 0.221 28 S C -0.272 174.329 174.600 0.002 0.000 1.037 28 S CA 1.447 59.648 58.200 0.003 0.000 0.920 28 S CB 1.298 64.499 63.200 0.002 0.000 0.800 28 S HN -0.530 7.651 8.310 0.001 0.130 0.505 29 D N 0.867 121.265 120.400 -0.002 0.000 2.375 29 D HA 0.472 nan 4.640 nan 0.000 0.259 29 D C -1.411 174.883 176.300 -0.010 0.000 1.235 29 D CA -2.747 51.249 54.000 -0.007 0.000 0.924 29 D CB 1.333 42.124 40.800 -0.014 0.000 1.143 29 D HN -0.039 8.225 8.370 -0.003 0.104 0.529 30 P HA -0.129 nan 4.420 nan 0.000 0.228 30 P C 0.243 177.534 177.300 -0.016 0.000 1.151 30 P CA 1.125 64.228 63.100 0.004 0.000 0.770 30 P CB 0.249 31.960 31.700 0.017 0.000 0.786 31 R N -1.970 118.509 120.500 -0.036 0.000 2.276 31 R HA -0.015 nan 4.340 nan 0.000 0.196 31 R C 1.390 177.620 176.300 -0.117 0.000 0.961 31 R CA 1.067 57.120 56.100 -0.078 0.000 1.024 31 R CB 0.276 30.544 30.300 -0.052 0.000 0.940 31 R HN -0.658 7.738 8.270 -0.025 -0.141 0.480 32 I N 0.452 120.974 120.570 -0.081 0.000 2.236 32 I HA -0.485 nan 4.170 nan 0.000 0.249 32 I C 0.274 176.327 176.117 -0.108 0.000 1.102 32 I CA 1.945 63.193 61.300 -0.086 0.000 1.365 32 I CB -0.235 37.733 38.000 -0.054 0.000 1.051 32 I HN -0.214 7.808 8.210 -0.053 0.156 0.420 33 A N -2.057 120.703 122.820 -0.101 0.000 1.902 33 A HA -0.325 nan 4.320 nan 0.000 0.217 33 A C 1.678 179.139 177.584 -0.205 0.000 1.181 33 A CA 3.199 55.196 52.037 -0.068 0.000 0.623 33 A CB -1.240 17.802 19.000 0.069 0.000 0.818 33 A HN 0.188 8.289 8.150 -0.083 0.000 0.443 34 A N -1.290 121.186 122.820 -0.572 0.000 1.877 34 A HA -0.312 nan 4.320 nan 0.000 0.216 34 A C 2.305 179.705 177.584 -0.307 0.000 1.186 34 A CA 3.003 54.526 52.037 -0.858 0.000 0.620 34 A CB -1.016 17.389 19.000 -0.992 0.000 0.822 34 A HN -0.394 7.444 8.150 -0.520 0.000 0.443 35 S N -0.333 115.234 115.700 -0.222 0.000 2.359 35 S HA -0.354 nan 4.470 nan 0.000 0.224 35 S C 2.324 176.842 174.600 -0.136 0.000 1.035 35 S CA 4.143 62.250 58.200 -0.156 0.000 1.018 35 S CB -0.318 62.791 63.200 -0.152 0.000 0.876 35 S HN -0.553 7.616 8.310 -0.235 0.000 0.448 36 I N 1.358 121.862 120.570 -0.111 0.000 2.226 36 I HA -0.448 nan 4.170 nan 0.000 0.245 36 I C 1.504 177.629 176.117 0.013 0.000 1.100 36 I CA 3.770 65.029 61.300 -0.068 0.000 1.374 36 I CB -0.120 37.845 38.000 -0.059 0.000 1.057 36 I HN -0.111 8.027 8.210 -0.120 0.000 0.413 37 L N -0.346 120.914 121.223 0.061 0.000 2.042 37 L HA -0.413 nan 4.340 nan 0.000 0.210 37 L C 1.401 178.380 176.870 0.183 0.000 1.076 37 L CA 3.411 58.358 54.840 0.179 0.000 0.749 37 L CB -0.606 41.631 42.059 0.296 0.000 0.893 37 L HN -0.394 7.851 8.230 0.025 0.000 0.432 38 R N -1.127 119.422 120.500 0.081 0.000 2.096 38 R HA -0.336 nan 4.340 nan 0.000 0.235 38 R C 2.454 178.724 176.300 -0.050 0.000 1.127 38 R CA 3.547 59.671 56.100 0.040 0.000 0.968 38 R CB -0.233 30.020 30.300 -0.079 0.000 0.861 38 R HN -0.357 7.928 8.270 0.025 0.000 0.440 39 L N -1.559 119.629 121.223 -0.058 0.000 2.046 39 L HA -0.462 nan 4.340 nan 0.000 0.208 39 L C 1.818 178.747 176.870 0.100 0.000 1.077 39 L CA 3.238 58.055 54.840 -0.038 0.000 0.747 39 L CB -0.580 41.428 42.059 -0.085 0.000 0.896 39 L HN -0.210 7.897 8.230 -0.066 0.084 0.432 40 H N 0.305 119.409 119.070 0.058 0.000 2.321 40 H HA -0.394 nan 4.556 nan 0.000 0.300 40 H C 1.993 177.425 175.328 0.174 0.000 1.087 40 H CA 3.801 59.910 56.048 0.101 0.000 1.319 40 H CB 0.710 30.529 29.762 0.096 0.000 1.379 40 H HN -0.495 7.919 8.280 0.224 0.000 0.501 41 F N 0.659 120.586 119.950 -0.038 0.000 2.069 41 F HA -0.459 nan 4.527 nan 0.000 0.298 41 F C 1.501 177.308 175.800 0.013 0.000 1.113 41 F CA 2.864 60.813 58.000 -0.086 0.000 1.214 41 F CB -0.590 38.366 39.000 -0.073 0.000 0.978 41 F HN -0.267 8.237 8.300 0.339 0.000 0.474 42 H N -2.450 116.347 119.070 -0.455 0.000 2.491 42 H HA -0.318 nan 4.556 nan 0.000 0.290 42 H C 1.786 176.993 175.328 -0.203 0.000 1.050 42 H CA 2.064 57.815 56.048 -0.494 0.000 1.309 42 H CB 0.061 29.645 29.762 -0.298 0.000 1.392 42 H HN -0.003 8.267 8.280 -0.017 0.000 0.554 43 D N -0.740 119.673 120.400 0.021 0.000 2.091 43 D HA -0.108 nan 4.640 nan 0.000 0.199 43 D C 2.322 178.620 176.300 -0.003 0.000 0.980 43 D CA 2.531 56.551 54.000 0.033 0.000 0.831 43 D CB 0.443 41.286 40.800 0.072 0.000 0.987 43 D HN -0.214 7.939 8.370 0.032 0.236 0.460 44 c N 0.005 118.574 118.600 -0.052 0.000 2.422 44 c HA -0.242 nan 4.570 nan 0.000 0.279 44 c C 2.501 176.616 174.090 0.041 0.000 1.305 44 c CA 3.750 60.062 56.329 -0.029 0.000 1.757 44 c CB -1.284 41.170 42.510 -0.092 0.000 1.962 44 c HN 0.126 8.284 8.230 -0.119 0.000 0.499 45 F N -2.069 117.759 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.263 175.423 175.800 -0.190 0.000 1.137 45 F CA 1.907 59.774 58.000 -0.221 0.000 1.454 45 F CB 0.394 39.194 39.000 -0.333 0.000 1.103 45 F HN -0.660 7.716 8.300 0.160 0.020 0.577 46 V N 0.981 120.886 119.914 -0.015 0.000 2.284 46 V HA 0.065 nan 4.120 nan 0.000 0.274 46 V C -1.119 174.928 176.094 -0.080 0.000 1.023 46 V CA -1.664 60.609 62.300 -0.046 0.000 0.808 46 V CB -1.259 30.566 31.823 0.003 0.000 1.035 46 V HN -0.661 7.479 8.190 0.002 0.051 0.445 47 N N 2.686 121.270 118.700 -0.193 0.000 2.741 47 N HA -0.323 nan 4.740 nan 0.000 0.250 47 N C -0.063 175.357 175.510 -0.149 0.000 1.115 47 N CA 0.853 53.742 53.050 -0.268 0.000 0.724 47 N CB -0.355 37.803 38.487 -0.550 0.000 1.090 47 N HN 0.623 8.884 8.380 -0.199 0.000 0.558 48 G N -4.752 103.980 108.800 -0.113 0.000 2.796 48 G HA2 -0.421 nan 3.960 nan 0.000 0.571 48 G HA3 -0.421 nan 3.960 nan 0.000 0.571 48 G C -0.634 174.250 174.900 -0.027 0.000 1.370 48 G CA -0.352 44.702 45.100 -0.075 0.000 0.856 48 G HN -0.750 7.441 8.290 -0.130 0.021 0.538 49 c N 2.807 121.400 118.600 -0.011 0.000 2.305 49 c HA 0.010 nan 4.570 nan 0.000 0.378 49 c C -0.324 173.794 174.090 0.046 0.000 1.047 49 c CA -0.983 55.364 56.329 0.031 0.000 1.385 49 c CB -2.747 39.809 42.510 0.076 0.000 1.825 49 c HN 0.164 8.383 8.230 -0.018 0.000 0.508 50 D N 1.295 121.726 120.400 0.053 0.000 2.556 50 D HA -0.025 nan 4.640 nan 0.000 0.237 50 D C -0.233 176.104 176.300 0.061 0.000 1.296 50 D CA -1.487 52.545 54.000 0.055 0.000 0.807 50 D CB -0.110 40.729 40.800 0.066 0.000 1.084 50 D HN -0.353 8.223 8.370 0.056 -0.172 0.510 51 A N -1.877 120.987 122.820 0.074 0.000 2.847 51 A HA -0.448 nan 4.320 nan 0.000 0.263 51 A C 1.199 178.813 177.584 0.049 0.000 1.391 51 A CA 1.512 53.593 52.037 0.073 0.000 0.866 51 A CB -2.227 16.810 19.000 0.062 0.000 1.057 51 A HN 0.037 8.542 8.150 0.084 -0.304 0.673 52 S N -0.953 114.777 115.700 0.050 0.000 2.399 52 S HA -0.276 nan 4.470 nan 0.000 0.231 52 S C 1.764 176.351 174.600 -0.022 0.000 1.022 52 S CA 2.795 60.986 58.200 -0.016 0.000 0.983 52 S CB 0.072 63.320 63.200 0.080 0.000 0.803 52 S HN -0.086 8.610 8.310 0.078 -0.339 0.480 53 I N 0.243 120.844 120.570 0.053 0.000 2.700 53 I HA -0.302 nan 4.170 nan 0.000 0.261 53 I C -0.082 176.093 176.117 0.096 0.000 1.219 53 I CA 1.818 63.169 61.300 0.085 0.000 1.463 53 I CB -0.087 38.006 38.000 0.156 0.000 1.092 53 I HN -0.755 7.483 8.210 0.077 0.018 0.452 54 L N -3.762 117.514 121.223 0.089 0.000 2.509 54 L HA -0.085 nan 4.340 nan 0.000 0.222 54 L C -0.066 176.795 176.870 -0.014 0.000 1.123 54 L CA 0.044 54.934 54.840 0.083 0.000 0.856 54 L CB 0.304 42.437 42.059 0.124 0.000 0.985 54 L HN -0.832 7.273 8.230 0.072 0.168 0.456 55 L N -0.962 120.249 121.223 -0.020 0.000 2.416 55 L HA -0.203 nan 4.340 nan 0.000 0.272 55 L C -0.621 176.251 176.870 0.004 0.000 1.161 55 L CA 0.247 55.095 54.840 0.014 0.000 0.845 55 L CB 0.163 42.245 42.059 0.039 0.000 1.119 55 L HN -0.939 7.233 8.230 -0.027 0.042 0.464 56 D N 3.425 123.829 120.400 0.006 0.000 2.388 56 D HA 0.053 nan 4.640 nan 0.000 0.254 56 D C -1.055 175.243 176.300 -0.003 0.000 1.111 56 D CA -0.627 53.349 54.000 -0.039 0.000 0.993 56 D CB 1.321 42.080 40.800 -0.068 0.000 1.118 56 D HN -0.182 8.201 8.370 0.022 0.000 0.502 57 N N -1.579 117.090 118.700 -0.052 0.000 2.345 57 N HA -0.151 nan 4.740 nan 0.000 0.243 57 N C -0.140 175.233 175.510 -0.228 0.000 1.246 57 N CA 1.305 54.293 53.050 -0.104 0.000 0.863 57 N CB 0.550 38.982 38.487 -0.093 0.000 1.096 57 N HN -0.001 8.342 8.380 -0.062 0.000 0.446 58 T N -1.817 112.481 114.554 -0.426 0.000 2.804 58 T HA 0.407 nan 4.350 nan 0.000 0.290 58 T C 0.850 175.320 174.700 -0.382 0.000 1.099 58 T CA -0.513 61.294 62.100 -0.488 0.000 1.011 58 T CB 1.959 70.322 68.868 -0.843 0.000 1.291 58 T HN 0.220 8.194 8.240 -0.444 0.000 0.523 59 T N -5.720 108.660 114.554 -0.289 0.000 3.085 59 T HA 0.136 nan 4.350 nan 0.000 0.263 59 T C 0.570 175.156 174.700 -0.191 0.000 1.127 59 T CA 1.310 63.297 62.100 -0.190 0.000 1.103 59 T CB -0.293 68.498 68.868 -0.128 0.000 0.921 59 T HN 0.338 8.414 8.240 -0.273 0.000 0.510 60 S N 2.160 117.682 115.700 -0.296 0.000 2.486 60 S HA -0.002 nan 4.470 nan 0.000 0.220 60 S C -0.753 173.792 174.600 -0.092 0.000 1.011 60 S CA 0.805 58.901 58.200 -0.174 0.000 0.921 60 S CB 1.173 64.311 63.200 -0.103 0.000 0.785 60 S HN -0.345 7.663 8.310 -0.441 0.037 0.517 61 F N -1.323 118.584 119.950 -0.072 0.000 2.665 61 F HA 0.204 nan 4.527 nan 0.000 0.308 61 F C -2.229 173.514 175.800 -0.094 0.000 1.112 61 F CA -1.283 56.662 58.000 -0.092 0.000 0.972 61 F CB 1.532 40.446 39.000 -0.143 0.000 1.295 61 F HN -0.621 7.133 8.300 -0.740 0.102 0.440 62 R N 0.567 121.174 120.500 0.179 0.000 2.441 62 R HA 0.290 nan 4.340 nan 0.000 0.284 62 R C -0.244 176.136 176.300 0.133 0.000 1.070 62 R CA -0.963 55.190 56.100 0.088 0.000 1.047 62 R CB 0.510 30.829 30.300 0.032 0.000 1.016 62 R HN 0.327 8.701 8.270 0.174 0.000 0.477 63 T N 2.374 116.967 114.554 0.066 0.000 2.919 63 T HA 0.095 nan 4.350 nan 0.000 0.302 63 T C 1.459 176.144 174.700 -0.024 0.000 1.031 63 T CA -0.588 61.528 62.100 0.027 0.000 1.127 63 T CB 1.021 69.874 68.868 -0.026 0.000 0.952 63 T HN -0.079 8.467 8.240 0.025 -0.290 0.540 64 E N 6.597 126.773 120.200 -0.041 0.000 2.418 64 E HA -0.212 nan 4.350 nan 0.000 0.197 64 E C 2.087 178.676 176.600 -0.018 0.000 1.026 64 E CA 2.698 59.077 56.400 -0.035 0.000 0.862 64 E CB -0.269 29.421 29.700 -0.016 0.000 0.799 64 E HN 0.716 9.046 8.360 -0.051 0.000 0.518 65 K N -1.207 119.173 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.661 177.268 176.600 0.011 0.000 1.046 65 K CA 2.309 58.587 56.287 -0.014 0.000 0.945 65 K CB -0.262 32.154 32.500 -0.140 0.000 0.750 65 K HN -0.581 7.580 8.250 -0.063 0.052 0.464 66 D N -3.483 116.904 120.400 -0.022 0.000 2.339 66 D HA 0.074 nan 4.640 nan 0.000 0.217 66 D C -0.155 176.093 176.300 -0.087 0.000 1.050 66 D CA -0.209 53.776 54.000 -0.024 0.000 0.856 66 D CB 0.360 41.140 40.800 -0.034 0.000 0.922 66 D HN -0.790 7.509 8.370 -0.038 0.048 0.518 67 A N -0.919 121.834 122.820 -0.112 0.000 2.466 67 A HA -0.080 nan 4.320 nan 0.000 0.238 67 A C 0.741 178.257 177.584 -0.115 0.000 1.074 67 A CA 0.572 52.469 52.037 -0.234 0.000 0.774 67 A CB 0.732 19.644 19.000 -0.147 0.000 1.015 67 A HN -0.321 7.603 8.150 -0.062 0.189 0.498 68 F N 0.848 120.838 119.950 0.067 0.000 2.161 68 F HA -0.342 nan 4.527 nan 0.000 0.300 68 F C 1.468 177.327 175.800 0.098 0.000 1.089 68 F CA 2.347 60.405 58.000 0.097 0.000 1.282 68 F CB -0.467 38.602 39.000 0.115 0.000 1.010 68 F HN 0.582 8.847 8.300 -0.656 -0.359 0.485 69 G N -4.652 104.257 108.800 0.181 0.000 2.985 69 G HA2 -0.073 nan 3.960 nan 0.000 0.209 69 G HA3 -0.073 nan 3.960 nan 0.000 0.209 69 G C -0.735 174.280 174.900 0.193 0.000 1.165 69 G CA -0.207 44.962 45.100 0.114 0.000 0.776 69 G HN 0.304 8.655 8.290 0.102 0.000 0.541 70 N N 0.427 119.232 118.700 0.176 0.000 2.516 70 N HA 0.074 nan 4.740 nan 0.000 0.197 70 N C -0.579 175.056 175.510 0.209 0.000 1.064 70 N CA -0.091 53.092 53.050 0.223 0.000 0.866 70 N CB 1.873 40.472 38.487 0.185 0.000 1.255 70 N HN -0.359 7.909 8.380 0.137 0.194 0.447 71 A N 1.802 124.730 122.820 0.181 0.000 2.566 71 A HA -0.165 nan 4.320 nan 0.000 0.245 71 A C -0.422 177.277 177.584 0.191 0.000 1.056 71 A CA 1.266 53.405 52.037 0.170 0.000 0.757 71 A CB -0.403 18.703 19.000 0.175 0.000 0.979 71 A HN 0.109 8.359 8.150 0.167 0.000 0.508 72 N N 1.328 120.125 118.700 0.162 0.000 2.714 72 N HA -0.324 nan 4.740 nan 0.000 0.252 72 N C -1.260 174.361 175.510 0.186 0.000 1.014 72 N CA 1.603 54.744 53.050 0.152 0.000 0.735 72 N CB -1.723 36.841 38.487 0.128 0.000 0.924 72 N HN 0.742 9.208 8.380 0.144 0.000 0.540 73 S N -3.026 112.791 115.700 0.196 0.000 4.257 73 S HA 0.041 nan 4.470 nan 0.000 0.208 73 S C -1.124 173.561 174.600 0.142 0.000 1.152 73 S CA 0.678 58.998 58.200 0.201 0.000 1.110 73 S CB 2.041 65.396 63.200 0.259 0.000 1.434 73 S HN -0.483 7.940 8.310 0.194 0.004 0.509 74 A N 2.555 125.471 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.513 176.107 177.584 0.060 0.000 1.068 74 A CA 0.868 52.961 52.037 0.093 0.000 0.766 74 A CB 0.348 19.488 19.000 0.233 0.000 1.003 74 A HN -0.190 7.975 8.150 0.208 0.110 0.497 75 R N 2.116 122.497 120.500 -0.198 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.878 175.149 176.300 -0.456 0.000 1.029 75 R CA -1.187 54.782 56.100 -0.219 0.000 0.888 75 R CB 1.485 31.752 30.300 -0.056 0.000 1.251 75 R HN -0.013 8.090 8.270 -0.278 0.000 0.464 76 G N -2.882 105.724 108.800 -0.324 0.000 2.192 76 G HA2 -0.218 nan 3.960 nan 0.000 0.193 76 G HA3 -0.218 nan 3.960 nan 0.000 0.193 76 G C 0.054 174.814 174.900 -0.233 0.000 0.999 76 G CA 0.016 44.954 45.100 -0.271 0.000 0.659 76 G HN 0.209 8.410 8.290 -0.149 0.000 0.503 77 F N 0.720 120.675 119.950 0.010 0.000 2.091 77 F HA -0.204 nan 4.527 nan 0.000 0.299 77 F C -0.848 174.956 175.800 0.006 0.000 1.103 77 F CA 4.121 62.127 58.000 0.011 0.000 1.228 77 F CB -2.396 36.613 39.000 0.015 0.000 0.984 77 F HN -0.054 7.925 8.300 -0.449 0.052 0.477 78 P HA -0.192 nan 4.420 nan 0.000 0.218 78 P C 1.041 178.373 177.300 0.054 0.000 1.149 78 P CA 3.024 66.183 63.100 0.099 0.000 0.817 78 P CB -0.646 31.099 31.700 0.076 0.000 0.785 79 V N -1.602 118.329 119.914 0.028 0.000 2.427 79 V HA -0.343 nan 4.120 nan 0.000 0.248 79 V C 2.011 178.108 176.094 0.004 0.000 1.051 79 V CA 4.046 66.347 62.300 0.002 0.000 1.048 79 V CB -0.884 30.925 31.823 -0.024 0.000 0.666 79 V HN -0.501 7.683 8.190 0.022 0.019 0.456 80 I N -0.545 120.035 120.570 0.018 0.000 2.252 80 I HA -0.482 nan 4.170 nan 0.000 0.245 80 I C 1.809 177.945 176.117 0.033 0.000 1.102 80 I CA 2.160 63.475 61.300 0.025 0.000 1.385 80 I CB -1.850 36.185 38.000 0.058 0.000 1.064 80 I HN -0.597 7.540 8.210 0.024 0.087 0.414 81 D N -0.031 120.400 120.400 0.052 0.000 2.123 81 D HA -0.318 nan 4.640 nan 0.000 0.196 81 D C 2.693 179.004 176.300 0.019 0.000 0.992 81 D CA 3.817 57.841 54.000 0.039 0.000 0.833 81 D CB -0.603 40.225 40.800 0.046 0.000 0.954 81 D HN -0.281 8.062 8.370 0.074 0.071 0.455 82 R N -0.322 120.187 120.500 0.015 0.000 2.073 82 R HA -0.299 nan 4.340 nan 0.000 0.234 82 R C 2.606 178.902 176.300 -0.007 0.000 1.134 82 R CA 3.275 59.377 56.100 0.003 0.000 0.952 82 R CB 0.140 30.441 30.300 0.002 0.000 0.850 82 R HN -0.160 8.052 8.270 0.021 0.071 0.433 83 M N -2.711 116.882 119.600 -0.011 0.000 2.229 83 M HA -0.171 nan 4.480 nan 0.000 0.264 83 M C 1.793 178.077 176.300 -0.027 0.000 1.063 83 M CA 3.449 58.734 55.300 -0.024 0.000 1.114 83 M CB -0.284 32.296 32.600 -0.034 0.000 1.387 83 M HN -0.017 8.268 8.290 -0.007 0.000 0.420 84 K N 0.696 121.086 120.400 -0.016 0.000 2.057 84 K HA -0.296 nan 4.320 nan 0.000 0.206 84 K C 1.807 178.396 176.600 -0.018 0.000 1.050 84 K CA 2.421 58.698 56.287 -0.018 0.000 0.935 84 K CB -0.580 31.919 32.500 -0.002 0.000 0.715 84 K HN 0.139 8.296 8.250 -0.006 0.089 0.439 85 A N -1.691 121.123 122.820 -0.010 0.000 1.902 85 A HA -0.241 nan 4.320 nan 0.000 0.217 85 A C 1.976 179.550 177.584 -0.017 0.000 1.181 85 A CA 3.018 55.050 52.037 -0.010 0.000 0.623 85 A CB -1.052 17.945 19.000 -0.005 0.000 0.818 85 A HN -0.054 8.093 8.150 -0.006 0.000 0.443 86 A N -2.508 120.299 122.820 -0.020 0.000 1.902 86 A HA -0.248 nan 4.320 nan 0.000 0.217 86 A C 1.988 179.552 177.584 -0.034 0.000 1.181 86 A CA 3.119 55.141 52.037 -0.025 0.000 0.623 86 A CB -0.420 18.564 19.000 -0.027 0.000 0.818 86 A HN -0.388 7.750 8.150 -0.019 0.000 0.443 87 V N -3.546 116.341 119.914 -0.045 0.000 2.719 87 V HA -0.218 nan 4.120 nan 0.000 0.252 87 V C 1.600 177.663 176.094 -0.052 0.000 1.065 87 V CA 3.100 65.363 62.300 -0.061 0.000 1.086 87 V CB -0.815 30.951 31.823 -0.096 0.000 0.700 87 V HN 0.125 8.216 8.190 -0.043 0.073 0.467 88 E N 1.259 121.437 120.200 -0.037 0.000 2.106 88 E HA -0.268 nan 4.350 nan 0.000 0.192 88 E C 2.031 178.618 176.600 -0.022 0.000 0.984 88 E CA 2.507 58.892 56.400 -0.026 0.000 0.806 88 E CB -0.673 29.017 29.700 -0.016 0.000 0.750 88 E HN 0.323 8.578 8.360 -0.033 0.086 0.458 89 S N -1.325 114.362 115.700 -0.021 0.000 2.382 89 S HA -0.209 nan 4.470 nan 0.000 0.228 89 S C 1.358 175.947 174.600 -0.019 0.000 1.027 89 S CA 2.143 60.333 58.200 -0.017 0.000 0.991 89 S CB 0.324 63.514 63.200 -0.016 0.000 0.823 89 S HN -0.213 8.076 8.310 -0.022 0.008 0.469 90 A N -0.136 122.668 122.820 -0.027 0.000 1.935 90 A HA -0.041 nan 4.320 nan 0.000 0.214 90 A C -0.383 177.184 177.584 -0.027 0.000 1.178 90 A CA 1.533 53.554 52.037 -0.028 0.000 0.640 90 A CB 1.213 20.193 19.000 -0.035 0.000 0.825 90 A HN -0.547 7.492 8.150 -0.032 0.092 0.447 91 c N -1.243 117.336 118.600 -0.035 0.000 3.328 91 c HA 0.442 nan 4.570 nan 0.000 0.230 91 c C -2.858 171.218 174.090 -0.023 0.000 1.232 91 c CA -2.684 53.627 56.329 -0.030 0.000 1.431 91 c CB -1.040 41.440 42.510 -0.051 0.000 1.818 91 c HN 0.131 8.230 8.230 -0.041 0.106 0.484 92 P HA -0.163 nan 4.420 nan 0.000 0.263 92 P C -0.733 176.570 177.300 0.005 0.000 1.175 92 P CA 1.080 64.177 63.100 -0.005 0.000 0.761 92 P CB 0.162 31.861 31.700 -0.001 0.000 0.794 93 R N 0.206 120.711 120.500 0.008 0.000 3.610 93 R HA -0.433 nan 4.340 nan 0.000 0.274 93 R C -0.140 176.186 176.300 0.043 0.000 1.123 93 R CA 1.645 57.760 56.100 0.023 0.000 0.747 93 R CB -2.789 27.526 30.300 0.026 0.000 1.149 93 R HN 0.702 9.334 8.270 0.003 -0.360 0.471 94 T N -6.466 108.108 114.554 0.034 0.000 2.987 94 T HA 0.158 nan 4.350 nan 0.000 0.248 94 T C -0.178 174.591 174.700 0.114 0.000 0.997 94 T CA 0.610 62.762 62.100 0.087 0.000 1.013 94 T CB 2.111 71.032 68.868 0.090 0.000 1.077 94 T HN -0.527 7.695 8.240 0.002 0.019 0.483 95 V N 4.805 124.686 119.914 -0.055 0.000 2.383 95 V HA 0.331 nan 4.120 nan 0.000 0.275 95 V C -1.239 174.848 176.094 -0.011 0.000 1.036 95 V CA -1.751 60.452 62.300 -0.162 0.000 0.889 95 V CB -0.380 31.177 31.823 -0.443 0.000 0.985 95 V HN -0.115 8.029 8.190 -0.078 0.000 0.459 96 S N 4.903 120.655 115.700 0.086 0.000 2.593 96 S HA 0.246 nan 4.470 nan 0.000 0.269 96 S C 1.388 176.008 174.600 0.033 0.000 1.334 96 S CA -0.339 57.900 58.200 0.064 0.000 1.015 96 S CB 1.468 64.717 63.200 0.081 0.000 0.912 96 S HN -0.304 8.127 8.310 0.201 0.000 0.541 97 c N 1.811 120.430 118.600 0.032 0.000 2.435 97 c HA -0.198 nan 4.570 nan 0.000 0.279 97 c C 1.879 175.996 174.090 0.045 0.000 1.321 97 c CA 3.756 60.105 56.329 0.032 0.000 1.752 97 c CB -2.031 40.503 42.510 0.041 0.000 1.959 97 c HN 0.577 9.170 8.230 0.035 -0.342 0.500 98 A N 0.284 123.135 122.820 0.053 0.000 1.883 98 A HA -0.365 nan 4.320 nan 0.000 0.217 98 A C 1.733 179.354 177.584 0.062 0.000 1.186 98 A CA 3.636 55.713 52.037 0.067 0.000 0.624 98 A CB -0.954 18.077 19.000 0.053 0.000 0.822 98 A HN 0.449 8.896 8.150 0.048 -0.267 0.444 99 D N -0.668 119.763 120.400 0.052 0.000 2.117 99 D HA -0.189 nan 4.640 nan 0.000 0.198 99 D C 2.105 178.409 176.300 0.007 0.000 0.982 99 D CA 3.098 57.133 54.000 0.058 0.000 0.828 99 D CB -0.205 40.703 40.800 0.181 0.000 0.967 99 D HN -0.665 7.740 8.370 0.058 0.000 0.464 100 L N 0.288 121.505 121.223 -0.011 0.000 2.042 100 L HA -0.276 nan 4.340 nan 0.000 0.210 100 L C 1.801 178.636 176.870 -0.058 0.000 1.076 100 L CA 3.360 58.171 54.840 -0.048 0.000 0.749 100 L CB -0.028 42.008 42.059 -0.038 0.000 0.893 100 L HN -0.120 8.114 8.230 0.005 0.000 0.432 101 L N -2.838 118.369 121.223 -0.025 0.000 2.156 101 L HA -0.262 nan 4.340 nan 0.000 0.208 101 L C 1.683 178.447 176.870 -0.177 0.000 1.095 101 L CA 3.131 57.954 54.840 -0.028 0.000 0.770 101 L CB -0.694 41.412 42.059 0.079 0.000 0.914 101 L HN -0.013 8.222 8.230 0.009 0.000 0.439 102 T N 3.218 117.633 114.554 -0.231 0.000 2.701 102 T HA -0.348 nan 4.350 nan 0.000 0.263 102 T C 2.080 176.548 174.700 -0.387 0.000 1.040 102 T CA 5.300 67.085 62.100 -0.524 0.000 1.147 102 T CB -0.370 68.366 68.868 -0.219 0.000 0.865 102 T HN -0.631 7.451 8.240 -0.088 0.105 0.426 103 I N 1.078 121.509 120.570 -0.231 0.000 2.208 103 I HA -0.559 nan 4.170 nan 0.000 0.245 103 I C 1.342 177.319 176.117 -0.232 0.000 1.097 103 I CA 4.200 65.364 61.300 -0.227 0.000 1.363 103 I CB -0.623 37.290 38.000 -0.144 0.000 1.051 103 I HN 0.347 8.461 8.210 -0.159 0.000 0.413 104 A N -1.081 121.630 122.820 -0.181 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.768 179.264 177.584 -0.148 0.000 1.181 104 A CA 3.293 55.245 52.037 -0.142 0.000 0.627 104 A CB -1.145 17.797 19.000 -0.098 0.000 0.818 104 A HN 0.190 8.242 8.150 -0.162 0.000 0.445 105 A N -1.731 120.976 122.820 -0.189 0.000 1.902 105 A HA -0.346 nan 4.320 nan 0.000 0.217 105 A C 2.010 179.511 177.584 -0.139 0.000 1.181 105 A CA 3.053 55.021 52.037 -0.116 0.000 0.623 105 A CB -1.055 17.856 19.000 -0.150 0.000 0.818 105 A HN -0.193 7.803 8.150 -0.256 0.000 0.443 106 Q N -1.221 118.394 119.800 -0.309 0.000 2.050 106 Q HA -0.355 nan 4.340 nan 0.000 0.202 106 Q C 2.358 178.122 176.000 -0.392 0.000 0.980 106 Q CA 3.253 58.734 55.803 -0.536 0.000 0.840 106 Q CB -0.265 27.907 28.738 -0.943 0.000 0.898 106 Q HN -0.365 7.688 8.270 -0.362 0.000 0.424 107 Q N -1.297 118.330 119.800 -0.288 0.000 2.124 107 Q HA -0.267 nan 4.340 nan 0.000 0.202 107 Q C 2.743 178.673 176.000 -0.116 0.000 0.977 107 Q CA 2.739 58.427 55.803 -0.192 0.000 0.850 107 Q CB -0.407 28.241 28.738 -0.150 0.000 0.901 107 Q HN 0.250 8.350 8.270 -0.283 0.000 0.429 108 S N 0.944 116.598 115.700 -0.077 0.000 2.382 108 S HA -0.346 nan 4.470 nan 0.000 0.228 108 S C 2.362 176.985 174.600 0.039 0.000 1.027 108 S CA 3.535 61.742 58.200 0.012 0.000 0.991 108 S CB -0.144 63.087 63.200 0.051 0.000 0.823 108 S HN 0.111 8.364 8.310 -0.095 0.000 0.469 109 V N 1.695 121.563 119.914 -0.078 0.000 2.307 109 V HA -0.410 nan 4.120 nan 0.000 0.245 109 V C 1.930 177.817 176.094 -0.344 0.000 1.045 109 V CA 4.794 66.881 62.300 -0.355 0.000 1.024 109 V CB -0.679 30.855 31.823 -0.482 0.000 0.651 109 V HN -0.388 7.652 8.190 -0.086 0.098 0.449 110 T N 2.507 116.936 114.554 -0.209 0.000 2.708 110 T HA -0.306 nan 4.350 nan 0.000 0.266 110 T C 2.357 177.014 174.700 -0.072 0.000 1.037 110 T CA 4.900 66.915 62.100 -0.142 0.000 1.146 110 T CB -0.458 68.342 68.868 -0.113 0.000 0.865 110 T HN -0.526 7.599 8.240 -0.192 0.000 0.435 111 L N 0.235 121.432 121.223 -0.044 0.000 2.265 111 L HA -0.236 nan 4.340 nan 0.000 0.215 111 L C 1.194 178.095 176.870 0.051 0.000 1.117 111 L CA 2.572 57.415 54.840 0.004 0.000 0.782 111 L CB -0.373 41.690 42.059 0.008 0.000 0.914 111 L HN 0.336 8.529 8.230 -0.062 0.000 0.441 112 A N -3.828 119.038 122.820 0.077 0.000 2.307 112 A HA 0.208 nan 4.320 nan 0.000 0.218 112 A C -0.185 177.470 177.584 0.118 0.000 1.228 112 A CA -0.376 51.759 52.037 0.163 0.000 0.857 112 A CB 0.200 19.410 19.000 0.349 0.000 0.897 112 A HN -0.355 7.678 8.150 0.033 0.136 0.495 113 G N -3.611 105.223 108.800 0.056 0.000 2.144 113 G HA2 -0.288 nan 3.960 nan 0.000 0.218 113 G HA3 -0.288 nan 3.960 nan 0.000 0.218 113 G C -0.084 174.857 174.900 0.068 0.000 0.988 113 G CA -0.400 44.749 45.100 0.082 0.000 0.659 113 G HN 0.085 8.157 8.290 0.016 0.227 0.522 114 G N 1.760 110.468 108.800 -0.154 0.000 2.525 114 G HA2 0.272 nan 3.960 nan 0.000 0.287 114 G HA3 0.272 nan 3.960 nan 0.000 0.287 114 G C -2.150 172.389 174.900 -0.602 0.000 1.350 114 G CA -2.065 42.694 45.100 -0.569 0.000 1.039 114 G HN 0.150 8.233 8.290 -0.194 0.091 0.513 115 P HA 0.022 nan 4.420 nan 0.000 0.271 115 P C -1.495 175.811 177.300 0.010 0.000 1.244 115 P CA -0.180 62.692 63.100 -0.379 0.000 0.793 115 P CB 1.269 32.683 31.700 -0.476 0.000 0.984 116 S N -0.420 115.364 115.700 0.140 0.000 2.561 116 S HA 0.371 nan 4.470 nan 0.000 0.303 116 S C -1.766 173.041 174.600 0.345 0.000 1.110 116 S CA -1.254 57.060 58.200 0.191 0.000 1.034 116 S CB 0.773 64.011 63.200 0.063 0.000 1.010 116 S HN 0.149 8.519 8.310 0.100 0.000 0.482 117 W N 2.715 123.964 121.300 -0.085 0.000 3.005 117 W HA 0.181 nan 4.660 nan 0.000 0.343 117 W C -2.627 173.862 176.519 -0.051 0.000 1.243 117 W CA -0.876 56.433 57.345 -0.061 0.000 1.186 117 W CB 1.693 31.113 29.460 -0.065 0.000 1.453 117 W HN -0.282 7.919 8.180 0.036 0.000 0.575 118 R N 1.876 122.384 120.500 0.014 0.000 2.229 118 R HA 0.228 nan 4.340 nan 0.000 0.332 118 R C -0.938 175.301 176.300 -0.101 0.000 0.989 118 R CA -0.747 55.280 56.100 -0.122 0.000 0.842 118 R CB 0.426 30.720 30.300 -0.011 0.000 1.119 118 R HN 0.114 8.513 8.270 0.215 0.000 0.456 119 V N 1.418 121.165 119.914 -0.279 0.000 2.686 119 V HA 0.268 nan 4.120 nan 0.000 0.295 119 V C -1.405 174.680 176.094 -0.015 0.000 1.055 119 V CA -4.250 57.986 62.300 -0.107 0.000 1.050 119 V CB -0.829 30.873 31.823 -0.201 0.000 0.984 119 V HN 0.369 8.319 8.190 -0.399 0.000 0.482 120 P HA 0.113 nan 4.420 nan 0.000 0.268 120 P C -1.721 175.557 177.300 -0.036 0.000 1.205 120 P CA 0.570 63.676 63.100 0.010 0.000 0.771 120 P CB 0.387 32.100 31.700 0.023 0.000 0.858 121 L N 0.597 121.767 121.223 -0.090 0.000 2.250 121 L HA 0.471 nan 4.340 nan 0.000 0.252 121 L C -0.004 176.543 176.870 -0.538 0.000 1.054 121 L CA -0.931 53.791 54.840 -0.198 0.000 0.856 121 L CB 3.534 45.531 42.059 -0.104 0.000 1.443 121 L HN 0.258 8.364 8.230 -0.073 0.080 0.427 122 G N -3.493 104.775 108.800 -0.887 0.000 2.154 122 G HA2 -0.328 nan 3.960 nan 0.000 0.186 122 G HA3 -0.328 nan 3.960 nan 0.000 0.186 122 G C -1.106 173.424 174.900 -0.618 0.000 1.000 122 G CA -0.374 43.828 45.100 -1.497 0.000 0.664 122 G HN 0.251 8.644 8.290 -0.570 -0.445 0.513 123 R N -0.666 119.649 120.500 -0.308 0.000 2.637 123 R HA 0.301 nan 4.340 nan 0.000 0.269 123 R C -0.332 175.920 176.300 -0.081 0.000 1.089 123 R CA 0.135 56.151 56.100 -0.140 0.000 1.177 123 R CB 0.826 31.094 30.300 -0.054 0.000 1.091 123 R HN -0.381 8.116 8.270 -0.267 -0.388 0.540 124 R N -1.080 119.399 120.500 -0.035 0.000 2.888 124 R HA 0.603 nan 4.340 nan 0.000 0.266 124 R C -1.040 175.271 176.300 0.019 0.000 1.020 124 R CA -1.171 54.931 56.100 0.003 0.000 0.963 124 R CB 3.471 33.775 30.300 0.008 0.000 1.197 124 R HN 0.385 8.634 8.270 -0.036 0.000 0.481 125 D N 1.043 121.461 120.400 0.029 0.000 2.256 125 D HA 0.340 nan 4.640 nan 0.000 0.250 125 D C 0.449 176.764 176.300 0.026 0.000 1.093 125 D CA -0.471 53.547 54.000 0.030 0.000 0.882 125 D CB 1.177 41.996 40.800 0.030 0.000 1.185 125 D HN 0.325 8.715 8.370 0.033 0.000 0.437 126 S N 2.413 118.129 115.700 0.026 0.000 2.589 126 S HA 0.046 nan 4.470 nan 0.000 0.265 126 S C 0.738 175.318 174.600 -0.033 0.000 1.342 126 S CA 0.617 58.831 58.200 0.024 0.000 1.005 126 S CB 1.181 64.421 63.200 0.067 0.000 0.909 126 S HN 0.375 8.703 8.310 0.030 0.000 0.555 127 L N -1.511 119.684 121.223 -0.048 0.000 2.554 127 L HA 0.108 nan 4.340 nan 0.000 0.225 127 L C -1.147 175.597 176.870 -0.209 0.000 1.104 127 L CA 0.567 55.373 54.840 -0.058 0.000 0.866 127 L CB 0.170 42.232 42.059 0.004 0.000 1.047 127 L HN 0.302 8.530 8.230 -0.003 0.000 0.468 128 Q N -5.808 113.669 119.800 -0.538 0.000 2.565 128 Q HA 0.118 nan 4.340 nan 0.000 0.294 128 Q C -1.948 173.075 176.000 -1.629 0.000 1.005 128 Q CA -2.330 52.659 55.803 -1.357 0.000 0.771 128 Q CB 3.169 31.296 28.738 -1.019 0.000 1.486 128 Q HN -0.995 6.983 8.270 -0.418 0.042 0.422 129 A N -0.715 120.958 122.820 -1.913 0.000 2.312 129 A HA 0.369 nan 4.320 nan 0.000 0.328 129 A C -0.637 176.278 177.584 -1.114 0.000 1.158 129 A CA -1.055 50.298 52.037 -1.139 0.000 0.821 129 A CB 1.799 20.477 19.000 -0.536 0.000 1.170 129 A HN 0.202 6.620 8.150 -2.887 0.000 0.490 130 F N 1.262 121.106 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.195 175.553 175.800 -0.086 0.000 1.150 130 F CA -1.438 56.493 58.000 -0.116 0.000 1.220 130 F CB -0.791 38.145 39.000 -0.107 0.000 1.475 130 F HN 0.220 8.701 8.300 -0.251 -0.331 0.521 131 L N 3.345 124.580 121.223 0.019 0.000 2.012 131 L HA -0.372 nan 4.340 nan 0.000 0.210 131 L C 0.664 177.514 176.870 -0.035 0.000 1.073 131 L CA 3.981 58.806 54.840 -0.025 0.000 0.748 131 L CB -0.028 42.003 42.059 -0.046 0.000 0.891 131 L HN -0.016 8.202 8.230 -0.020 0.000 0.431 132 D N -1.158 119.245 120.400 0.005 0.000 2.117 132 D HA -0.301 nan 4.640 nan 0.000 0.197 132 D C 2.437 178.748 176.300 0.017 0.000 0.987 132 D CA 3.694 57.697 54.000 0.006 0.000 0.829 132 D CB -0.698 40.123 40.800 0.035 0.000 0.961 132 D HN 0.207 8.597 8.370 0.033 0.000 0.460 133 L N -0.265 120.983 121.223 0.042 0.000 2.046 133 L HA -0.270 nan 4.340 nan 0.000 0.208 133 L C 1.278 178.150 176.870 0.003 0.000 1.077 133 L CA 2.371 57.221 54.840 0.016 0.000 0.747 133 L CB -0.381 41.675 42.059 -0.004 0.000 0.896 133 L HN -0.419 7.861 8.230 0.083 0.000 0.432 134 A N -1.124 121.696 122.820 0.000 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.055 179.607 177.584 -0.054 0.000 1.181 134 A CA 3.390 55.399 52.037 -0.046 0.000 0.623 134 A CB -0.923 18.039 19.000 -0.063 0.000 0.818 134 A HN 0.370 8.467 8.150 0.030 0.071 0.443 135 N N -1.344 117.317 118.700 -0.065 0.000 2.223 135 N HA -0.268 nan 4.740 nan 0.000 0.185 135 N C 1.818 177.396 175.510 0.113 0.000 1.016 135 N CA 2.535 55.574 53.050 -0.019 0.000 0.863 135 N CB -0.311 38.106 38.487 -0.116 0.000 0.983 135 N HN 0.046 8.308 8.380 -0.080 0.070 0.429 136 A N -1.541 121.327 122.820 0.080 0.000 2.021 136 A HA -0.010 nan 4.320 nan 0.000 0.216 136 A C 1.047 178.699 177.584 0.113 0.000 1.163 136 A CA 1.900 54.002 52.037 0.109 0.000 0.676 136 A CB 0.291 19.333 19.000 0.071 0.000 0.818 136 A HN -0.307 7.749 8.150 0.041 0.119 0.453 137 N N -3.470 115.272 118.700 0.070 0.000 2.415 137 N HA 0.132 nan 4.740 nan 0.000 0.174 137 N C -0.174 175.410 175.510 0.124 0.000 1.048 137 N CA 0.551 53.654 53.050 0.088 0.000 0.895 137 N CB 1.324 39.829 38.487 0.030 0.000 1.036 137 N HN -0.257 8.053 8.380 0.036 0.092 0.449 138 L N 1.249 122.472 121.223 -0.001 0.000 2.360 138 L HA 0.137 nan 4.340 nan 0.000 0.276 138 L C -1.504 175.303 176.870 -0.106 0.000 1.121 138 L CA -1.313 53.435 54.840 -0.154 0.000 0.845 138 L CB -0.446 41.395 42.059 -0.364 0.000 1.143 138 L HN -0.701 7.519 8.230 -0.016 0.000 0.452 139 P HA 0.111 nan 4.420 nan 0.000 0.274 139 P C -2.050 174.774 177.300 -0.793 0.000 1.237 139 P CA -0.802 62.031 63.100 -0.446 0.000 0.793 139 P CB 1.045 32.713 31.700 -0.053 0.000 0.977 140 A N -0.682 121.117 122.820 -1.702 0.000 2.356 140 A HA 0.482 nan 4.320 nan 0.000 0.323 140 A C -0.294 176.733 177.584 -0.927 0.000 1.119 140 A CA -2.712 48.621 52.037 -1.173 0.000 0.790 140 A CB 0.885 19.061 19.000 -1.373 0.000 1.273 140 A HN 0.063 6.129 8.150 -3.473 0.000 0.452 141 P HA -0.144 nan 4.420 nan 0.000 0.219 141 P C -0.082 177.240 177.300 0.037 0.000 1.146 141 P CA 2.280 65.307 63.100 -0.121 0.000 0.808 141 P CB 0.053 31.751 31.700 -0.004 0.000 0.779 142 F N -7.396 112.661 119.950 0.180 0.000 2.773 142 F HA 0.114 nan 4.527 nan 0.000 0.304 142 F C -1.072 174.974 175.800 0.409 0.000 1.129 142 F CA -1.727 56.436 58.000 0.271 0.000 1.378 142 F CB -0.791 38.346 39.000 0.230 0.000 1.095 142 F HN -0.513 7.356 8.300 -0.658 0.036 0.565 143 F N 2.132 122.017 119.950 -0.107 0.000 2.459 143 F HA -0.070 nan 4.527 nan 0.000 0.346 143 F C 0.230 176.098 175.800 0.113 0.000 1.128 143 F CA -1.009 57.003 58.000 0.019 0.000 1.268 143 F CB 0.475 39.457 39.000 -0.030 0.000 1.161 143 F HN -0.648 7.591 8.300 0.009 0.067 0.583 144 T N -2.865 111.837 114.554 0.247 0.000 2.788 144 T HA 0.233 nan 4.350 nan 0.000 0.280 144 T C 0.786 175.586 174.700 0.166 0.000 0.984 144 T CA -2.041 60.169 62.100 0.184 0.000 0.972 144 T CB 2.230 71.167 68.868 0.116 0.000 1.039 144 T HN 0.230 8.893 8.240 0.144 -0.337 0.530 145 L N 0.317 121.617 121.223 0.128 0.000 2.012 145 L HA -0.040 nan 4.340 nan 0.000 0.210 145 L C -0.897 176.023 176.870 0.085 0.000 1.073 145 L CA 4.361 59.262 54.840 0.102 0.000 0.748 145 L CB -2.360 39.742 42.059 0.072 0.000 0.891 145 L HN 0.562 8.864 8.230 0.121 0.000 0.431 146 P HA -0.230 nan 4.420 nan 0.000 0.218 146 P C 2.031 179.363 177.300 0.053 0.000 1.149 146 P CA 3.024 66.153 63.100 0.048 0.000 0.817 146 P CB -0.544 31.174 31.700 0.029 0.000 0.785 147 Q N -1.672 118.151 119.800 0.039 0.000 2.083 147 Q HA -0.278 nan 4.340 nan 0.000 0.198 147 Q C 2.684 178.800 176.000 0.193 0.000 0.969 147 Q CA 3.317 59.108 55.803 -0.020 0.000 0.838 147 Q CB -0.171 28.396 28.738 -0.284 0.000 0.900 147 Q HN -0.643 7.554 8.270 0.046 0.102 0.436 148 L N -0.039 121.360 121.223 0.293 0.000 2.017 148 L HA -0.438 nan 4.340 nan 0.000 0.208 148 L C 1.896 178.942 176.870 0.293 0.000 1.073 148 L CA 3.440 58.498 54.840 0.363 0.000 0.745 148 L CB -0.464 41.719 42.059 0.207 0.000 0.894 148 L HN 0.235 8.529 8.230 0.231 0.074 0.432 149 K N -1.360 119.134 120.400 0.156 0.000 2.063 149 K HA -0.433 nan 4.320 nan 0.000 0.208 149 K C 2.406 179.121 176.600 0.191 0.000 1.048 149 K CA 3.754 60.117 56.287 0.126 0.000 0.928 149 K CB -0.492 32.050 32.500 0.070 0.000 0.713 149 K HN 0.231 8.557 8.250 0.126 0.000 0.442 150 D N -0.863 119.636 120.400 0.166 0.000 2.117 150 D HA -0.174 nan 4.640 nan 0.000 0.197 150 D C 2.346 178.766 176.300 0.200 0.000 0.987 150 D CA 3.110 57.195 54.000 0.140 0.000 0.829 150 D CB -0.151 40.698 40.800 0.081 0.000 0.961 150 D HN -0.278 7.995 8.370 0.140 0.181 0.460 151 S N 0.352 116.241 115.700 0.316 0.000 2.368 151 S HA -0.251 nan 4.470 nan 0.000 0.225 151 S C 2.354 177.188 174.600 0.389 0.000 1.030 151 S CA 3.208 61.647 58.200 0.397 0.000 0.999 151 S CB -0.040 63.517 63.200 0.595 0.000 0.844 151 S HN -0.224 8.208 8.310 0.336 0.080 0.459 152 F N 0.636 120.730 119.950 0.242 0.000 2.206 152 F HA -0.196 nan 4.527 nan 0.000 0.298 152 F C 1.703 177.510 175.800 0.012 0.000 1.090 152 F CA 3.055 61.163 58.000 0.180 0.000 1.323 152 F CB -0.071 39.067 39.000 0.230 0.000 1.028 152 F HN -0.175 8.597 8.300 0.787 0.000 0.492 153 R N -0.534 120.101 120.500 0.225 0.000 2.096 153 R HA -0.434 nan 4.340 nan 0.000 0.235 153 R C 2.733 179.039 176.300 0.011 0.000 1.127 153 R CA 3.403 59.562 56.100 0.099 0.000 0.968 153 R CB -0.416 29.941 30.300 0.095 0.000 0.861 153 R HN -0.009 8.436 8.270 0.291 0.000 0.440 154 N N -0.209 118.496 118.700 0.008 0.000 2.192 154 N HA -0.230 nan 4.740 nan 0.000 0.188 154 N C 1.050 176.478 175.510 -0.136 0.000 1.013 154 N CA 2.966 55.989 53.050 -0.044 0.000 0.863 154 N CB 0.382 38.861 38.487 -0.013 0.000 0.990 154 N HN -0.108 8.304 8.380 0.068 0.009 0.430 155 V N -8.855 110.906 119.914 -0.255 0.000 3.542 155 V HA 0.413 nan 4.120 nan 0.000 0.296 155 V C 0.080 176.015 176.094 -0.266 0.000 1.364 155 V CA -1.732 60.348 62.300 -0.367 0.000 1.118 155 V CB -0.735 30.620 31.823 -0.780 0.000 0.972 155 V HN -0.646 7.257 8.190 -0.261 0.131 0.430 156 G N -0.707 108.000 108.800 -0.155 0.000 2.176 156 G HA2 -0.260 nan 3.960 nan 0.000 0.232 156 G HA3 -0.260 nan 3.960 nan 0.000 0.232 156 G C -0.282 174.595 174.900 -0.039 0.000 0.986 156 G CA 0.094 45.141 45.100 -0.088 0.000 0.643 156 G HN -0.084 7.920 8.290 -0.123 0.212 0.522 157 L N 2.355 123.564 121.223 -0.023 0.000 2.399 157 L HA -0.029 nan 4.340 nan 0.000 0.257 157 L C -1.184 175.789 176.870 0.171 0.000 1.236 157 L CA -0.619 54.286 54.840 0.109 0.000 1.144 157 L CB -1.547 40.645 42.059 0.221 0.000 1.379 157 L HN -0.159 7.964 8.230 -0.098 0.047 0.414 158 N N 0.926 119.684 118.700 0.098 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.048 175.509 175.510 0.080 0.000 1.141 158 N CA 0.069 53.171 53.050 0.087 0.000 0.851 158 N CB 0.140 38.657 38.487 0.050 0.000 0.976 158 N HN -0.308 8.077 8.380 0.064 0.033 0.465 159 R N 0.199 120.754 120.500 0.091 0.000 2.604 159 R HA 0.311 nan 4.340 nan 0.000 0.287 159 R C 0.393 176.733 176.300 0.067 0.000 0.970 159 R CA -1.177 54.964 56.100 0.069 0.000 0.946 159 R CB 1.688 32.029 30.300 0.068 0.000 1.127 159 R HN -0.484 8.087 8.270 0.115 -0.232 0.473 160 S N 3.863 119.588 115.700 0.041 0.000 2.399 160 S HA -0.372 nan 4.470 nan 0.000 0.231 160 S C 1.446 176.075 174.600 0.050 0.000 1.022 160 S CA 3.336 61.549 58.200 0.022 0.000 0.983 160 S CB -0.319 62.884 63.200 0.004 0.000 0.803 160 S HN 0.745 9.076 8.310 0.034 0.000 0.480 161 S N 0.489 116.241 115.700 0.086 0.000 2.399 161 S HA -0.273 nan 4.470 nan 0.000 0.231 161 S C 1.746 176.462 174.600 0.194 0.000 1.022 161 S CA 3.047 61.350 58.200 0.173 0.000 0.983 161 S CB -0.687 62.624 63.200 0.185 0.000 0.803 161 S HN 0.155 8.502 8.310 0.071 0.006 0.480 162 D N 3.152 123.640 120.400 0.147 0.000 2.092 162 D HA -0.266 nan 4.640 nan 0.000 0.193 162 D C 1.913 178.310 176.300 0.162 0.000 0.994 162 D CA 2.970 57.085 54.000 0.191 0.000 0.828 162 D CB -0.412 40.546 40.800 0.263 0.000 0.963 162 D HN -0.568 7.757 8.370 0.123 0.120 0.450 163 L N -0.415 120.773 121.223 -0.058 0.000 2.056 163 L HA -0.202 nan 4.340 nan 0.000 0.207 163 L C 1.811 178.629 176.870 -0.087 0.000 1.078 163 L CA 3.175 57.756 54.840 -0.430 0.000 0.749 163 L CB -0.038 41.693 42.059 -0.547 0.000 0.901 163 L HN -0.723 7.495 8.230 -0.020 0.000 0.433 164 V N -1.193 118.782 119.914 0.102 0.000 2.379 164 V HA -0.445 nan 4.120 nan 0.000 0.245 164 V C 1.937 178.359 176.094 0.547 0.000 1.044 164 V CA 4.460 66.943 62.300 0.304 0.000 1.036 164 V CB -1.484 30.480 31.823 0.235 0.000 0.664 164 V HN 0.116 8.357 8.190 0.084 0.000 0.453 165 A N -0.245 122.896 122.820 0.534 0.000 1.873 165 A HA -0.234 nan 4.320 nan 0.000 0.215 165 A C 2.406 180.293 177.584 0.505 0.000 1.186 165 A CA 3.422 55.778 52.037 0.531 0.000 0.616 165 A CB -0.656 18.520 19.000 0.292 0.000 0.823 165 A HN 0.295 8.583 8.150 0.421 0.115 0.442 166 L N -2.968 118.421 121.223 0.276 0.000 2.201 166 L HA -0.341 nan 4.340 nan 0.000 0.212 166 L C 2.548 179.433 176.870 0.025 0.000 1.105 166 L CA 2.496 57.441 54.840 0.176 0.000 0.775 166 L CB -0.464 41.683 42.059 0.146 0.000 0.913 166 L HN 0.005 8.374 8.230 0.233 0.000 0.440 167 S N 0.190 115.873 115.700 -0.028 0.000 2.474 167 S HA -0.189 nan 4.470 nan 0.000 0.235 167 S C 2.069 176.241 174.600 -0.713 0.000 0.997 167 S CA 3.580 61.589 58.200 -0.318 0.000 0.949 167 S CB -0.839 62.327 63.200 -0.058 0.000 0.766 167 S HN -0.131 8.128 8.310 0.093 0.107 0.517 168 G N -0.005 108.579 108.800 -0.360 0.000 2.586 168 G HA2 -0.156 nan 3.960 nan 0.000 0.215 168 G HA3 -0.156 nan 3.960 nan 0.000 0.215 168 G C 0.759 175.298 174.900 -0.602 0.000 1.128 168 G CA 0.899 45.598 45.100 -0.669 0.000 0.774 168 G HN -0.018 8.194 8.290 0.131 0.156 0.543 169 G N 0.461 109.051 108.800 -0.350 0.000 2.509 169 G HA2 -0.232 nan 3.960 nan 0.000 0.218 169 G HA3 -0.232 nan 3.960 nan 0.000 0.218 169 G C 0.526 175.289 174.900 -0.228 0.000 1.124 169 G CA 0.824 45.849 45.100 -0.126 0.000 0.776 169 G HN -0.329 7.613 8.290 -0.286 0.176 0.547 170 H N -0.600 118.077 119.070 -0.655 0.000 2.547 170 H HA 0.013 nan 4.556 nan 0.000 0.274 170 H C 0.181 175.306 175.328 -0.338 0.000 1.024 170 H CA -0.546 55.079 56.048 -0.705 0.000 1.155 170 H CB -0.458 28.801 29.762 -0.838 0.000 1.344 170 H HN -0.517 6.991 8.280 -1.018 0.161 0.598 171 T N -0.051 114.313 114.554 -0.316 0.000 3.113 171 T HA -0.026 nan 4.350 nan 0.000 0.263 171 T C -1.333 173.393 174.700 0.043 0.000 1.143 171 T CA 1.209 63.166 62.100 -0.238 0.000 1.090 171 T CB 0.462 68.950 68.868 -0.633 0.000 0.922 171 T HN -0.196 7.555 8.240 -0.503 0.187 0.521 172 F N -4.807 115.135 119.950 -0.013 0.000 2.923 172 F HA 0.553 nan 4.527 nan 0.000 0.323 172 F C -0.862 175.030 175.800 0.152 0.000 1.189 172 F CA -2.817 55.235 58.000 0.086 0.000 0.930 172 F CB 1.089 40.147 39.000 0.097 0.000 1.414 172 F HN -0.954 7.606 8.300 0.534 0.061 0.496 173 G N -1.220 107.660 108.800 0.133 0.000 2.712 173 G HA2 -0.350 nan 3.960 nan 0.000 0.683 173 G HA3 -0.350 nan 3.960 nan 0.000 0.683 173 G C -2.404 172.662 174.900 0.277 0.000 1.320 173 G CA -0.076 45.071 45.100 0.078 0.000 0.847 173 G HN -0.130 8.235 8.290 0.124 0.000 0.553 174 K N -0.337 120.194 120.400 0.218 0.000 2.295 174 K HA 0.792 nan 4.320 nan 0.000 0.239 174 K C -1.385 175.242 176.600 0.044 0.000 0.991 174 K CA -1.711 54.637 56.287 0.101 0.000 0.845 174 K CB 3.123 35.651 32.500 0.046 0.000 1.197 174 K HN 0.143 8.491 8.250 0.163 0.000 0.441 175 N N 1.001 119.601 118.700 -0.166 0.000 2.308 175 N HA 0.207 nan 4.740 nan 0.000 0.283 175 N C -2.305 173.192 175.510 -0.022 0.000 1.105 175 N CA -0.519 52.425 53.050 -0.177 0.000 0.840 175 N CB 3.177 41.204 38.487 -0.767 0.000 1.633 175 N HN 0.539 8.823 8.380 -0.160 0.000 0.476 176 Q N 2.953 122.854 119.800 0.169 0.000 2.340 176 Q HA 0.154 nan 4.340 nan 0.000 0.249 176 Q C 1.247 177.227 176.000 -0.034 0.000 0.957 176 Q CA 0.335 56.163 55.803 0.041 0.000 0.882 176 Q CB 1.584 30.295 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.667 8.270 0.403 0.000 0.439 177 c N 3.993 122.548 118.600 -0.075 0.000 2.403 177 c HA -0.398 nan 4.570 nan 0.000 0.277 177 c C 2.093 176.125 174.090 -0.097 0.000 1.248 177 c CA 3.897 60.187 56.329 -0.066 0.000 1.762 177 c CB -1.597 40.886 42.510 -0.045 0.000 2.014 177 c HN 0.837 9.027 8.230 -0.066 0.000 0.486 178 R N 1.227 121.588 120.500 -0.231 0.000 2.139 178 R HA -0.365 nan 4.340 nan 0.000 0.243 178 R C 2.359 178.508 176.300 -0.251 0.000 1.145 178 R CA 2.995 58.914 56.100 -0.302 0.000 0.976 178 R CB -1.032 28.972 30.300 -0.493 0.000 0.866 178 R HN 0.042 8.145 8.270 -0.254 0.014 0.449 179 F N -2.982 116.995 119.950 0.046 0.000 2.748 179 F HA -0.101 nan 4.527 nan 0.000 0.299 179 F C 0.051 175.891 175.800 0.066 0.000 1.154 179 F CA 1.718 59.762 58.000 0.073 0.000 1.446 179 F CB 0.135 39.176 39.000 0.068 0.000 1.112 179 F HN -0.438 7.548 8.300 -0.306 0.131 0.584 180 I N -7.772 112.886 120.570 0.146 0.000 4.240 180 I HA 0.276 nan 4.170 nan 0.000 0.331 180 I C 0.664 176.817 176.117 0.060 0.000 1.381 180 I CA -0.509 60.842 61.300 0.085 0.000 1.136 180 I CB 1.577 39.567 38.000 -0.016 0.000 1.137 180 I HN -0.042 8.042 8.210 0.077 0.173 0.411 181 M N 2.147 121.799 119.600 0.088 0.000 2.065 181 M HA -0.433 nan 4.480 nan 0.000 0.259 181 M C 1.867 178.272 176.300 0.175 0.000 1.069 181 M CA 3.434 58.822 55.300 0.147 0.000 1.110 181 M CB -1.680 31.011 32.600 0.151 0.000 1.328 181 M HN -0.659 7.677 8.290 0.077 0.000 0.405 182 D N -2.146 118.356 120.400 0.169 0.000 2.158 182 D HA -0.303 nan 4.640 nan 0.000 0.197 182 D C 2.437 178.911 176.300 0.290 0.000 0.995 182 D CA 3.083 57.194 54.000 0.185 0.000 0.846 182 D CB -0.683 40.185 40.800 0.114 0.000 0.941 182 D HN 0.355 8.815 8.370 0.151 0.000 0.456 183 R N -1.842 118.806 120.500 0.246 0.000 2.093 183 R HA -0.151 nan 4.340 nan 0.000 0.224 183 R C 2.383 178.639 176.300 -0.073 0.000 1.101 183 R CA 2.508 58.685 56.100 0.128 0.000 0.979 183 R CB 0.172 30.463 30.300 -0.015 0.000 0.877 183 R HN -0.768 7.510 8.270 0.196 0.109 0.441 184 L N -1.847 119.255 121.223 -0.200 0.000 2.240 184 L HA -0.229 nan 4.340 nan 0.000 0.211 184 L C 1.505 177.961 176.870 -0.690 0.000 1.106 184 L CA 2.915 57.428 54.840 -0.544 0.000 0.793 184 L CB -0.039 41.491 42.059 -0.882 0.000 0.927 184 L HN -0.417 7.645 8.230 -0.121 0.096 0.446 185 Y N -6.308 114.017 120.300 0.041 0.000 2.769 185 Y HA 0.005 nan 4.550 nan 0.000 0.266 185 Y C -0.041 175.895 175.900 0.059 0.000 1.091 185 Y CA 0.794 58.916 58.100 0.036 0.000 1.272 185 Y CB 1.773 40.245 38.460 0.019 0.000 1.469 185 Y HN -0.240 8.040 8.280 -0.001 0.000 0.475 186 N N -0.530 118.310 118.700 0.233 0.000 2.648 186 N HA 0.053 nan 4.740 nan 0.000 0.261 186 N C -1.615 173.996 175.510 0.168 0.000 1.138 186 N CA -0.582 52.566 53.050 0.164 0.000 0.804 186 N CB 0.775 39.328 38.487 0.111 0.000 1.237 186 N HN -0.756 7.774 8.380 0.251 0.000 0.532 187 F N 6.234 126.208 119.950 0.039 0.000 2.444 187 F HA 0.098 nan 4.527 nan 0.000 0.360 187 F C -0.599 175.222 175.800 0.035 0.000 1.106 187 F CA -0.180 57.842 58.000 0.036 0.000 1.170 187 F CB 1.162 40.179 39.000 0.027 0.000 1.113 187 F HN 0.860 9.222 8.300 0.298 0.117 0.521 188 S N 8.536 123.875 115.700 -0.600 0.000 3.631 188 S HA -0.469 nan 4.470 nan 0.000 0.366 188 S C -0.485 174.002 174.600 -0.187 0.000 0.993 188 S CA 1.112 59.032 58.200 -0.467 0.000 1.167 188 S CB -1.470 61.342 63.200 -0.647 0.000 0.909 188 S HN 0.892 8.865 8.310 -0.562 0.000 0.478 189 N N -3.298 115.338 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.547 176.051 175.510 -0.009 0.000 1.097 189 N CA 1.189 54.212 53.050 -0.044 0.000 0.812 189 N CB -0.412 38.045 38.487 -0.050 0.000 1.148 189 N HN 0.296 8.611 8.380 -0.107 0.000 0.572 190 T N -6.274 108.289 114.554 0.014 0.000 3.085 190 T HA 0.039 nan 4.350 nan 0.000 0.263 190 T C 1.547 176.280 174.700 0.055 0.000 1.127 190 T CA 0.478 62.606 62.100 0.048 0.000 1.103 190 T CB 0.321 69.245 68.868 0.094 0.000 0.921 190 T HN -0.198 7.871 8.240 0.006 0.175 0.510 191 G N 2.088 110.923 108.800 0.059 0.000 2.162 191 G HA2 -0.404 nan 3.960 nan 0.000 0.260 191 G HA3 -0.404 nan 3.960 nan 0.000 0.260 191 G C -1.103 173.845 174.900 0.080 0.000 0.976 191 G CA 0.313 45.450 45.100 0.061 0.000 0.655 191 G HN 0.205 8.804 8.290 0.056 -0.275 0.533 192 L N -1.140 120.143 121.223 0.101 0.000 2.359 192 L HA 0.546 nan 4.340 nan 0.000 0.256 192 L C -2.100 174.845 176.870 0.124 0.000 1.026 192 L CA -3.624 51.274 54.840 0.097 0.000 0.828 192 L CB 2.413 44.518 42.059 0.077 0.000 1.406 192 L HN -0.573 7.667 8.230 0.116 0.060 0.413 193 P HA 0.105 nan 4.420 nan 0.000 0.274 193 P C -1.577 175.703 177.300 -0.033 0.000 1.246 193 P CA -0.602 62.506 63.100 0.012 0.000 0.795 193 P CB 0.354 32.010 31.700 -0.073 0.000 1.006 194 D N 0.650 120.917 120.400 -0.222 0.000 2.412 194 D HA 0.027 nan 4.640 nan 0.000 0.257 194 D C 0.758 176.886 176.300 -0.287 0.000 1.217 194 D CA -2.036 51.611 54.000 -0.589 0.000 0.897 194 D CB 0.306 40.497 40.800 -1.014 0.000 1.132 194 D HN -0.157 8.093 8.370 -0.200 0.000 0.493 195 P HA -0.134 nan 4.420 nan 0.000 0.223 195 P C -0.037 177.212 177.300 -0.085 0.000 1.144 195 P CA 1.447 64.496 63.100 -0.085 0.000 0.783 195 P CB -0.093 31.590 31.700 -0.028 0.000 0.771 196 T N -6.709 107.767 114.554 -0.130 0.000 3.144 196 T HA -0.019 nan 4.350 nan 0.000 0.249 196 T C -0.351 174.309 174.700 -0.067 0.000 1.089 196 T CA -0.741 61.316 62.100 -0.072 0.000 0.989 196 T CB -0.012 68.824 68.868 -0.054 0.000 0.992 196 T HN -0.168 8.227 8.240 -0.219 -0.286 0.540 197 L N 2.275 123.435 121.223 -0.104 0.000 2.257 197 L HA 0.165 nan 4.340 nan 0.000 0.290 197 L C -0.617 176.233 176.870 -0.034 0.000 1.044 197 L CA -1.267 53.525 54.840 -0.080 0.000 0.810 197 L CB 1.199 43.167 42.059 -0.151 0.000 1.193 197 L HN -0.556 7.516 8.230 -0.137 0.076 0.425 198 N N 7.301 126.015 118.700 0.024 0.000 2.292 198 N HA -0.215 nan 4.740 nan 0.000 0.258 198 N C 0.594 176.124 175.510 0.033 0.000 1.261 198 N CA 1.299 54.371 53.050 0.037 0.000 0.845 198 N CB 1.582 40.107 38.487 0.064 0.000 1.064 198 N HN 0.100 8.509 8.380 0.047 0.000 0.471 199 T N 1.123 115.684 114.554 0.012 0.000 2.915 199 T HA -0.154 nan 4.350 nan 0.000 0.269 199 T C 1.997 176.708 174.700 0.018 0.000 1.071 199 T CA 2.966 65.066 62.100 0.001 0.000 1.132 199 T CB -0.074 68.791 68.868 -0.006 0.000 0.878 199 T HN 0.286 8.531 8.240 0.007 0.000 0.479 200 T N 5.175 119.752 114.554 0.039 0.000 2.812 200 T HA -0.186 nan 4.350 nan 0.000 0.264 200 T C 1.475 176.239 174.700 0.107 0.000 1.042 200 T CA 4.334 66.463 62.100 0.048 0.000 1.140 200 T CB -0.589 68.296 68.868 0.029 0.000 0.870 200 T HN -0.153 8.307 8.240 0.036 -0.199 0.445 201 Y N 3.020 123.290 120.300 -0.049 0.000 2.224 201 Y HA -0.272 nan 4.550 nan 0.000 0.289 201 Y C 1.114 176.976 175.900 -0.064 0.000 1.146 201 Y CA 0.660 58.727 58.100 -0.055 0.000 1.182 201 Y CB -0.290 38.133 38.460 -0.062 0.000 0.983 201 Y HN -0.165 8.569 8.280 0.189 -0.340 0.524 202 L N -0.590 120.615 121.223 -0.030 0.000 2.043 202 L HA -0.473 nan 4.340 nan 0.000 0.212 202 L C 1.917 178.715 176.870 -0.121 0.000 1.075 202 L CA 3.702 58.454 54.840 -0.147 0.000 0.752 202 L CB -0.466 41.525 42.059 -0.114 0.000 0.891 202 L HN 0.023 8.190 8.230 0.036 0.085 0.432 203 Q N -2.622 117.153 119.800 -0.042 0.000 2.050 203 Q HA -0.333 nan 4.340 nan 0.000 0.202 203 Q C 2.868 178.860 176.000 -0.013 0.000 0.980 203 Q CA 2.797 58.587 55.803 -0.021 0.000 0.840 203 Q CB -0.885 27.857 28.738 0.006 0.000 0.898 203 Q HN -0.372 7.801 8.270 -0.011 0.091 0.424 204 T N 3.760 118.327 114.554 0.020 0.000 2.684 204 T HA -0.279 nan 4.350 nan 0.000 0.267 204 T C 2.266 176.952 174.700 -0.023 0.000 1.036 204 T CA 4.780 66.905 62.100 0.041 0.000 1.148 204 T CB -0.504 68.454 68.868 0.149 0.000 0.863 204 T HN -0.593 7.608 8.240 0.055 0.071 0.436 205 L N 0.433 121.578 121.223 -0.130 0.000 2.042 205 L HA -0.506 nan 4.340 nan 0.000 0.210 205 L C 1.965 178.762 176.870 -0.121 0.000 1.076 205 L CA 3.451 58.171 54.840 -0.201 0.000 0.749 205 L CB -0.681 41.144 42.059 -0.391 0.000 0.893 205 L HN 0.330 8.459 8.230 -0.168 0.000 0.432 206 R N -2.737 117.695 120.500 -0.113 0.000 2.152 206 R HA -0.301 nan 4.340 nan 0.000 0.232 206 R C 2.056 178.384 176.300 0.046 0.000 1.117 206 R CA 2.921 59.006 56.100 -0.026 0.000 0.981 206 R CB -0.467 29.818 30.300 -0.025 0.000 0.870 206 R HN 0.014 8.202 8.270 -0.136 0.000 0.451 207 G N -1.979 106.830 108.800 0.015 0.000 2.403 207 G HA2 -0.154 nan 3.960 nan 0.000 0.216 207 G HA3 -0.154 nan 3.960 nan 0.000 0.216 207 G C 0.428 175.340 174.900 0.020 0.000 1.154 207 G CA 1.034 46.148 45.100 0.024 0.000 0.784 207 G HN -0.494 7.655 8.290 -0.007 0.137 0.538 208 L N -1.631 119.595 121.223 0.005 0.000 2.179 208 L HA -0.004 nan 4.340 nan 0.000 0.208 208 L C -0.191 176.682 176.870 0.005 0.000 1.096 208 L CA 1.421 56.261 54.840 0.000 0.000 0.779 208 L CB 0.864 42.914 42.059 -0.015 0.000 0.922 208 L HN -0.662 7.464 8.230 -0.009 0.099 0.443 209 c N -0.530 118.082 118.600 0.019 0.000 2.816 209 c HA 0.533 nan 4.570 nan 0.000 0.255 209 c C -2.731 171.442 174.090 0.138 0.000 1.141 209 c CA -3.235 53.125 56.329 0.051 0.000 1.554 209 c CB -1.105 41.425 42.510 0.033 0.000 1.778 209 c HN 0.104 8.251 8.230 0.015 0.092 0.429 210 P HA 0.145 nan 4.420 nan 0.000 0.271 210 P C 0.067 177.368 177.300 0.003 0.000 1.218 210 P CA -0.470 62.680 63.100 0.084 0.000 0.780 210 P CB 0.454 32.168 31.700 0.025 0.000 0.901 211 L N 2.778 123.895 121.223 -0.177 0.000 2.263 211 L HA -0.325 nan 4.340 nan 0.000 0.216 211 L C 0.021 176.762 176.870 -0.215 0.000 1.111 211 L CA 2.317 56.894 54.840 -0.438 0.000 0.773 211 L CB 0.136 41.776 42.059 -0.698 0.000 0.906 211 L HN 0.386 8.536 8.230 -0.134 0.000 0.439 212 N N -3.902 114.725 118.700 -0.122 0.000 2.517 212 N HA 0.071 nan 4.740 nan 0.000 0.285 212 N C -0.646 174.834 175.510 -0.051 0.000 1.528 212 N CA -0.555 52.445 53.050 -0.084 0.000 0.892 212 N CB 0.673 39.114 38.487 -0.077 0.000 1.356 212 N HN -0.388 7.892 8.380 -0.097 0.041 0.495 213 G N -0.282 108.494 108.800 -0.039 0.000 2.641 213 G HA2 0.157 nan 3.960 nan 0.000 0.239 213 G HA3 0.157 nan 3.960 nan 0.000 0.239 213 G C -1.916 172.969 174.900 -0.025 0.000 1.402 213 G CA -1.359 43.727 45.100 -0.023 0.000 1.046 213 G HN -0.270 7.995 8.290 -0.042 0.000 0.565 214 N N -0.020 118.667 118.700 -0.020 0.000 2.406 214 N HA 0.030 nan 4.740 nan 0.000 0.251 214 N C 1.674 177.164 175.510 -0.034 0.000 1.069 214 N CA -0.691 52.344 53.050 -0.025 0.000 0.947 214 N CB 0.357 38.833 38.487 -0.018 0.000 1.111 214 N HN 0.086 8.457 8.380 -0.015 0.000 0.497 215 L N 5.541 126.735 121.223 -0.049 0.000 2.456 215 L HA -0.186 nan 4.340 nan 0.000 0.224 215 L C 0.787 177.595 176.870 -0.103 0.000 1.148 215 L CA 2.001 56.793 54.840 -0.081 0.000 0.825 215 L CB -0.047 41.952 42.059 -0.099 0.000 0.937 215 L HN 0.780 8.982 8.230 -0.046 0.000 0.450 216 S N -2.717 112.943 115.700 -0.066 0.000 2.556 216 S HA 0.001 nan 4.470 nan 0.000 0.216 216 S C 0.003 174.586 174.600 -0.027 0.000 0.970 216 S CA 0.046 58.216 58.200 -0.050 0.000 0.912 216 S CB -0.226 62.960 63.200 -0.024 0.000 0.790 216 S HN -0.255 7.973 8.310 -0.049 0.052 0.504 217 A N 1.167 123.970 122.820 -0.029 0.000 2.445 217 A HA 0.001 nan 4.320 nan 0.000 0.242 217 A C -1.682 175.890 177.584 -0.019 0.000 1.075 217 A CA 0.437 52.463 52.037 -0.017 0.000 0.777 217 A CB 1.201 20.191 19.000 -0.016 0.000 1.013 217 A HN -0.716 7.249 8.150 -0.036 0.164 0.493 218 L N 0.644 121.860 121.223 -0.011 0.000 2.309 218 L HA 0.793 nan 4.340 nan 0.000 0.282 218 L C -0.125 176.729 176.870 -0.027 0.000 1.036 218 L CA -1.075 53.756 54.840 -0.014 0.000 0.806 218 L CB 1.724 43.784 42.059 0.002 0.000 1.220 218 L HN -0.049 8.178 8.230 -0.006 0.000 0.429 219 V N -1.735 118.143 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.526 174.517 176.094 -0.085 0.000 1.084 219 V CA -3.083 59.180 62.300 -0.062 0.000 0.963 219 V CB 3.667 35.438 31.823 -0.087 0.000 1.025 219 V HN 0.820 8.853 8.190 -0.084 0.106 0.432 220 D N 1.728 122.115 120.400 -0.022 0.000 2.345 220 D HA 0.207 nan 4.640 nan 0.000 0.247 220 D C -0.938 175.371 176.300 0.015 0.000 1.108 220 D CA 0.739 54.755 54.000 0.028 0.000 0.894 220 D CB 1.056 41.906 40.800 0.082 0.000 1.203 220 D HN -0.067 8.307 8.370 0.007 0.000 0.430 221 F N 0.680 120.669 119.950 0.066 0.000 2.186 221 F HA -0.283 nan 4.527 nan 0.000 0.299 221 F C 0.176 176.043 175.800 0.112 0.000 1.090 221 F CA 3.552 61.591 58.000 0.066 0.000 1.307 221 F CB 0.953 39.981 39.000 0.047 0.000 1.019 221 F HN 0.145 8.614 8.300 0.281 0.000 0.489 222 D N -2.028 118.545 120.400 0.288 0.000 2.440 222 D HA 0.130 nan 4.640 nan 0.000 0.239 222 D C 0.044 176.398 176.300 0.091 0.000 1.084 222 D CA -1.840 52.264 54.000 0.174 0.000 0.843 222 D CB 0.973 41.864 40.800 0.151 0.000 1.097 222 D HN -0.460 8.062 8.370 0.283 0.017 0.531 223 L N -0.029 121.207 121.223 0.022 0.000 2.217 223 L HA 0.048 nan 4.340 nan 0.000 0.211 223 L C 0.879 177.718 176.870 -0.052 0.000 1.107 223 L CA 1.763 56.580 54.840 -0.038 0.000 0.783 223 L CB 0.136 42.075 42.059 -0.200 0.000 0.919 223 L HN 0.200 8.434 8.230 0.007 0.000 0.442 224 R N -0.851 119.614 120.500 -0.058 0.000 2.056 224 R HA -0.095 nan 4.340 nan 0.000 0.227 224 R C -0.034 176.261 176.300 -0.009 0.000 1.149 224 R CA 1.627 57.698 56.100 -0.048 0.000 0.937 224 R CB 0.638 30.900 30.300 -0.063 0.000 0.835 224 R HN -0.086 8.310 8.270 -0.064 -0.165 0.430 225 T N -4.453 110.109 114.554 0.012 0.000 3.150 225 T HA 0.519 nan 4.350 nan 0.000 0.383 225 T C -1.249 173.498 174.700 0.078 0.000 1.313 225 T CA -3.575 58.549 62.100 0.039 0.000 1.235 225 T CB 0.111 68.998 68.868 0.033 0.000 1.088 225 T HN -0.649 7.982 8.240 0.007 -0.387 0.556 226 P HA -0.173 nan 4.420 nan 0.000 0.218 226 P C -0.310 177.108 177.300 0.196 0.000 1.146 226 P CA 2.192 65.374 63.100 0.137 0.000 0.813 226 P CB -0.139 31.622 31.700 0.100 0.000 0.778 227 T N -11.741 102.922 114.554 0.182 0.000 3.040 227 T HA 0.135 nan 4.350 nan 0.000 0.266 227 T C -0.318 174.546 174.700 0.274 0.000 1.005 227 T CA -1.255 60.991 62.100 0.244 0.000 0.906 227 T CB 0.191 69.155 68.868 0.160 0.000 1.082 227 T HN -0.242 8.049 8.240 0.136 0.031 0.531 228 I N 2.574 123.252 120.570 0.180 0.000 2.377 228 I HA 0.132 nan 4.170 nan 0.000 0.293 228 I C -1.520 174.617 176.117 0.032 0.000 0.987 228 I CA -1.013 60.366 61.300 0.132 0.000 1.185 228 I CB 1.797 39.856 38.000 0.098 0.000 1.341 228 I HN -0.785 7.404 8.210 0.147 0.109 0.455 229 F N 9.759 129.615 119.950 -0.158 0.000 2.439 229 F HA -0.161 nan 4.527 nan 0.000 0.356 229 F C -1.567 174.236 175.800 0.006 0.000 1.161 229 F CA 0.359 58.156 58.000 -0.338 0.000 1.151 229 F CB 0.129 38.787 39.000 -0.571 0.000 1.222 229 F HN 0.530 8.814 8.300 0.157 0.111 0.558 230 D N 4.370 124.689 120.400 -0.134 0.000 2.825 230 D HA 0.241 nan 4.640 nan 0.000 0.327 230 D C -0.938 175.410 176.300 0.081 0.000 1.277 230 D CA -1.230 52.887 54.000 0.195 0.000 0.950 230 D CB 1.656 42.517 40.800 0.102 0.000 1.438 230 D HN -0.397 7.706 8.370 -0.445 0.000 0.526 231 N N -2.657 116.092 118.700 0.082 0.000 2.383 231 N HA -0.116 nan 4.740 nan 0.000 0.192 231 N C 1.408 176.885 175.510 -0.055 0.000 1.141 231 N CA 0.271 53.274 53.050 -0.078 0.000 0.851 231 N CB -0.542 37.940 38.487 -0.008 0.000 0.976 231 N HN 0.396 8.822 8.380 0.077 0.000 0.465 232 K N 0.303 120.662 120.400 -0.068 0.000 2.218 232 K HA -0.365 nan 4.320 nan 0.000 0.205 232 K C 1.308 177.837 176.600 -0.117 0.000 1.046 232 K CA 2.360 58.602 56.287 -0.074 0.000 0.933 232 K CB -1.415 31.049 32.500 -0.059 0.000 0.728 232 K HN -0.702 7.618 8.250 -0.055 -0.103 0.454 233 Y N 0.742 120.845 120.300 -0.329 0.000 2.139 233 Y HA -0.505 nan 4.550 nan 0.000 0.282 233 Y C 1.923 177.531 175.900 -0.487 0.000 1.179 233 Y CA 3.725 61.558 58.100 -0.445 0.000 1.161 233 Y CB -0.346 37.692 38.460 -0.704 0.000 0.970 233 Y HN -0.437 7.735 8.280 -0.122 0.035 0.511 234 Y N -4.267 115.880 120.300 -0.254 0.000 2.263 234 Y HA -0.381 nan 4.550 nan 0.000 0.292 234 Y C 2.224 177.928 175.900 -0.327 0.000 1.130 234 Y CA 4.202 62.114 58.100 -0.314 0.000 1.179 234 Y CB -0.712 37.655 38.460 -0.155 0.000 0.998 234 Y HN -0.338 7.795 8.280 -0.233 0.008 0.532 235 V N 0.020 119.857 119.914 -0.128 0.000 2.332 235 V HA -0.558 nan 4.120 nan 0.000 0.248 235 V C 1.944 177.891 176.094 -0.244 0.000 1.055 235 V CA 4.173 66.375 62.300 -0.164 0.000 1.038 235 V CB -1.092 30.661 31.823 -0.117 0.000 0.651 235 V HN -0.530 7.526 8.190 -0.081 0.085 0.450 236 N N -0.910 117.627 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.256 177.566 175.510 -0.335 0.000 1.024 236 N CA 2.789 55.670 53.050 -0.282 0.000 0.852 236 N CB -0.691 37.640 38.487 -0.260 0.000 1.003 236 N HN -0.218 8.006 8.380 -0.261 0.000 0.424 237 L N -0.603 120.350 121.223 -0.450 0.000 2.079 237 L HA -0.368 nan 4.340 nan 0.000 0.210 237 L C 2.669 179.116 176.870 -0.705 0.000 1.081 237 L CA 3.526 58.074 54.840 -0.486 0.000 0.752 237 L CB -0.583 41.181 42.059 -0.491 0.000 0.896 237 L HN -0.494 7.346 8.230 -0.510 0.084 0.433 238 E N -2.486 117.226 120.200 -0.813 0.000 2.268 238 E HA -0.238 nan 4.350 nan 0.000 0.195 238 E C 1.100 177.429 176.600 -0.453 0.000 0.995 238 E CA 2.276 58.081 56.400 -0.993 0.000 0.836 238 E CB -0.327 29.017 29.700 -0.592 0.000 0.763 238 E HN -0.519 7.475 8.360 -0.598 0.008 0.491 239 E N -3.610 116.406 120.200 -0.306 0.000 2.463 239 E HA 0.105 nan 4.350 nan 0.000 0.193 239 E C -0.748 175.784 176.600 -0.114 0.000 1.041 239 E CA -0.828 55.471 56.400 -0.168 0.000 0.879 239 E CB 0.408 30.012 29.700 -0.160 0.000 0.997 239 E HN -0.759 7.253 8.360 -0.337 0.146 0.478 240 Q N -5.412 114.313 119.800 -0.125 0.000 2.506 240 Q HA -0.356 nan 4.340 nan 0.000 0.268 240 Q C -0.071 175.928 176.000 -0.000 0.000 1.002 240 Q CA 1.267 57.047 55.803 -0.037 0.000 1.052 240 Q CB -2.612 26.129 28.738 0.006 0.000 1.383 240 Q HN -0.237 7.704 8.270 -0.225 0.194 0.537 241 K N -2.005 118.368 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.857 175.799 176.600 0.093 0.000 1.033 241 K CA -0.882 55.443 56.287 0.064 0.000 1.138 241 K CB 0.046 32.436 32.500 -0.182 0.000 0.860 241 K HN 0.086 8.137 8.250 -0.135 0.118 0.490 242 G N -1.301 107.498 108.800 -0.002 0.000 2.365 242 G HA2 -0.052 nan 3.960 nan 0.000 0.249 242 G HA3 -0.052 nan 3.960 nan 0.000 0.249 242 G C -0.134 174.826 174.900 0.099 0.000 1.288 242 G CA -0.326 44.771 45.100 -0.005 0.000 0.887 242 G HN -0.566 7.633 8.290 -0.029 0.073 0.524 243 L N 5.834 127.146 121.223 0.148 0.000 2.005 243 L HA -0.048 nan 4.340 nan 0.000 0.207 243 L C -0.182 176.697 176.870 0.014 0.000 1.072 243 L CA 2.079 56.949 54.840 0.051 0.000 0.744 243 L CB 0.937 42.986 42.059 -0.018 0.000 0.895 243 L HN 0.366 8.720 8.230 0.207 0.000 0.433 244 I N -8.155 112.479 120.570 0.107 0.000 2.607 244 I HA 0.183 nan 4.170 nan 0.000 0.305 244 I C 0.115 176.320 176.117 0.146 0.000 0.995 244 I CA -1.727 59.647 61.300 0.123 0.000 1.148 244 I CB 1.891 39.990 38.000 0.165 0.000 1.323 244 I HN -0.930 7.597 8.210 0.200 -0.197 0.461 245 Q N 4.901 124.799 119.800 0.162 0.000 2.096 245 Q HA -0.444 nan 4.340 nan 0.000 0.208 245 Q C 1.544 177.654 176.000 0.183 0.000 0.993 245 Q CA 3.878 59.789 55.803 0.180 0.000 0.862 245 Q CB -0.242 28.669 28.738 0.289 0.000 0.915 245 Q HN 0.760 9.139 8.270 0.181 0.000 0.416 246 S N -2.355 113.460 115.700 0.191 0.000 2.442 246 S HA -0.302 nan 4.470 nan 0.000 0.236 246 S C 2.073 176.791 174.600 0.197 0.000 1.007 246 S CA 2.697 61.008 58.200 0.184 0.000 0.965 246 S CB -0.459 62.834 63.200 0.155 0.000 0.773 246 S HN -0.399 8.024 8.310 0.187 0.000 0.504 247 D N 2.160 122.697 120.400 0.229 0.000 2.085 247 D HA -0.091 nan 4.640 nan 0.000 0.199 247 D C 2.290 178.668 176.300 0.129 0.000 0.981 247 D CA 2.657 56.807 54.000 0.250 0.000 0.834 247 D CB -0.052 40.922 40.800 0.290 0.000 0.992 247 D HN -0.353 8.007 8.370 0.227 0.145 0.457 248 Q N 0.262 120.122 119.800 0.100 0.000 2.170 248 Q HA -0.277 nan 4.340 nan 0.000 0.203 248 Q C 2.220 178.293 176.000 0.122 0.000 0.976 248 Q CA 2.525 58.376 55.803 0.079 0.000 0.858 248 Q CB -0.261 28.506 28.738 0.048 0.000 0.907 248 Q HN -0.447 7.891 8.270 0.113 0.000 0.433 249 E N -0.111 120.164 120.200 0.125 0.000 2.265 249 E HA -0.276 nan 4.350 nan 0.000 0.196 249 E C 2.776 179.443 176.600 0.113 0.000 0.996 249 E CA 2.649 59.121 56.400 0.119 0.000 0.832 249 E CB -0.368 29.410 29.700 0.131 0.000 0.756 249 E HN -0.220 8.200 8.360 0.132 0.019 0.491 250 L N -1.772 119.531 121.223 0.134 0.000 2.265 250 L HA -0.309 nan 4.340 nan 0.000 0.215 250 L C 1.333 178.303 176.870 0.167 0.000 1.117 250 L CA 2.653 57.572 54.840 0.132 0.000 0.782 250 L CB -0.217 41.940 42.059 0.163 0.000 0.914 250 L HN -0.461 7.824 8.230 0.141 0.031 0.441 251 F N -0.913 119.038 119.950 0.002 0.000 2.637 251 F HA 0.026 nan 4.527 nan 0.000 0.284 251 F C 0.634 176.426 175.800 -0.012 0.000 1.105 251 F CA 2.048 60.039 58.000 -0.015 0.000 1.356 251 F CB 1.729 40.709 39.000 -0.033 0.000 1.096 251 F HN -0.127 8.177 8.300 0.256 0.150 0.616 252 S N -1.139 114.621 115.700 0.102 0.000 2.524 252 S HA 0.032 nan 4.470 nan 0.000 0.215 252 S C -0.663 173.931 174.600 -0.010 0.000 0.986 252 S CA 0.679 58.888 58.200 0.015 0.000 0.911 252 S CB 0.524 63.779 63.200 0.091 0.000 0.805 252 S HN -0.079 8.338 8.310 0.178 0.000 0.501 253 S N 2.724 118.428 115.700 0.007 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.354 174.234 174.600 -0.019 0.000 1.339 253 S CA -2.300 55.909 58.200 0.016 0.000 1.039 253 S CB 0.686 63.910 63.200 0.040 0.000 0.902 253 S HN -0.606 7.626 8.310 0.021 0.090 0.516 254 P HA -0.117 nan 4.420 nan 0.000 0.222 254 P C -0.011 177.276 177.300 -0.021 0.000 1.147 254 P CA 1.938 65.026 63.100 -0.019 0.000 0.790 254 P CB 0.153 31.853 31.700 -0.001 0.000 0.780 255 N N -3.168 115.527 118.700 -0.008 0.000 2.336 255 N HA -0.027 nan 4.740 nan 0.000 0.189 255 N C 0.599 176.099 175.510 -0.016 0.000 1.113 255 N CA -0.254 52.792 53.050 -0.006 0.000 0.858 255 N CB 0.474 38.968 38.487 0.011 0.000 0.970 255 N HN -0.422 7.914 8.380 0.004 0.047 0.471 256 A N 0.682 123.482 122.820 -0.032 0.000 2.281 256 A HA 0.180 nan 4.320 nan 0.000 0.231 256 A C 0.164 177.705 177.584 -0.072 0.000 1.317 256 A CA 0.605 52.614 52.037 -0.047 0.000 0.959 256 A CB -1.524 17.438 19.000 -0.064 0.000 0.900 256 A HN -0.077 7.852 8.150 -0.037 0.199 0.497 257 T N 1.120 115.639 114.554 -0.058 0.000 2.708 257 T HA -0.302 nan 4.350 nan 0.000 0.266 257 T C 0.876 175.541 174.700 -0.057 0.000 1.037 257 T CA 4.123 66.186 62.100 -0.062 0.000 1.146 257 T CB -0.356 68.486 68.868 -0.044 0.000 0.865 257 T HN -0.216 7.872 8.240 -0.043 0.126 0.435 258 D N -2.501 117.873 120.400 -0.043 0.000 2.348 258 D HA 0.012 nan 4.640 nan 0.000 0.211 258 D C 1.398 177.667 176.300 -0.050 0.000 0.998 258 D CA 1.386 55.361 54.000 -0.041 0.000 0.873 258 D CB -0.465 40.320 40.800 -0.025 0.000 0.925 258 D HN 0.327 8.676 8.370 -0.035 0.000 0.524 259 T N -4.296 110.231 114.554 -0.046 0.000 3.033 259 T HA 0.066 nan 4.350 nan 0.000 0.248 259 T C 1.697 176.370 174.700 -0.045 0.000 1.040 259 T CA 1.423 63.499 62.100 -0.040 0.000 1.133 259 T CB 0.867 69.735 68.868 0.000 0.000 0.895 259 T HN -0.989 7.076 8.240 -0.043 0.149 0.465 260 I N 2.151 122.688 120.570 -0.055 0.000 2.151 260 I HA -0.371 nan 4.170 nan 0.000 0.243 260 I C -0.696 175.401 176.117 -0.034 0.000 1.080 260 I CA 5.915 67.187 61.300 -0.046 0.000 1.339 260 I CB -2.508 35.366 38.000 -0.210 0.000 1.039 260 I HN 0.216 8.381 8.210 -0.075 0.000 0.409 261 P HA -0.183 nan 4.420 nan 0.000 0.216 261 P C 1.695 178.874 177.300 -0.201 0.000 1.153 261 P CA 3.098 66.137 63.100 -0.103 0.000 0.848 261 P CB -0.669 30.976 31.700 -0.092 0.000 0.787 262 L N -2.650 118.397 121.223 -0.293 0.000 2.046 262 L HA -0.316 nan 4.340 nan 0.000 0.208 262 L C 2.415 178.791 176.870 -0.823 0.000 1.077 262 L CA 3.161 57.605 54.840 -0.659 0.000 0.747 262 L CB -0.447 41.251 42.059 -0.602 0.000 0.896 262 L HN -0.857 7.247 8.230 -0.211 0.000 0.432 263 V N -0.531 119.169 119.914 -0.357 0.000 2.287 263 V HA -0.552 nan 4.120 nan 0.000 0.248 263 V C 2.443 178.453 176.094 -0.140 0.000 1.053 263 V CA 4.497 66.713 62.300 -0.139 0.000 1.027 263 V CB -1.047 30.883 31.823 0.179 0.000 0.646 263 V HN 0.267 8.337 8.190 -0.200 0.000 0.447 264 R N -2.099 118.362 120.500 -0.065 0.000 2.073 264 R HA -0.397 nan 4.340 nan 0.000 0.234 264 R C 2.420 178.666 176.300 -0.091 0.000 1.134 264 R CA 3.439 59.520 56.100 -0.032 0.000 0.952 264 R CB -0.293 30.019 30.300 0.021 0.000 0.850 264 R HN 0.168 8.419 8.270 -0.032 0.000 0.433 265 S N -0.222 115.376 115.700 -0.170 0.000 2.359 265 S HA -0.269 nan 4.470 nan 0.000 0.224 265 S C 2.277 176.879 174.600 0.003 0.000 1.035 265 S CA 3.656 61.784 58.200 -0.121 0.000 1.018 265 S CB -0.143 62.940 63.200 -0.195 0.000 0.876 265 S HN 0.121 8.186 8.310 -0.225 0.109 0.448 266 F N -0.502 119.300 119.950 -0.247 0.000 2.259 266 F HA -0.142 nan 4.527 nan 0.000 0.298 266 F C 1.569 177.183 175.800 -0.311 0.000 1.088 266 F CA 0.506 58.266 58.000 -0.399 0.000 1.358 266 F CB -0.864 37.489 39.000 -1.078 0.000 1.040 266 F HN 0.262 8.269 8.300 -0.487 0.000 0.505 267 A N -1.264 121.534 122.820 -0.038 0.000 2.015 267 A HA -0.184 nan 4.320 nan 0.000 0.219 267 A C 1.000 178.579 177.584 -0.008 0.000 1.163 267 A CA 2.020 54.062 52.037 0.009 0.000 0.646 267 A CB -0.202 18.793 19.000 -0.007 0.000 0.806 267 A HN -0.163 7.832 8.150 -0.086 0.103 0.448 268 N N -3.052 115.644 118.700 -0.006 0.000 2.446 268 N HA -0.041 nan 4.740 nan 0.000 0.179 268 N C -0.483 175.023 175.510 -0.007 0.000 1.054 268 N CA 1.205 54.249 53.050 -0.009 0.000 0.905 268 N CB 1.069 39.552 38.487 -0.007 0.000 0.973 268 N HN -0.479 7.776 8.380 -0.007 0.120 0.448 269 S N -0.820 114.885 115.700 0.008 0.000 2.776 269 S HA 0.212 nan 4.470 nan 0.000 0.284 269 S C -0.003 174.575 174.600 -0.037 0.000 1.160 269 S CA -1.369 56.824 58.200 -0.011 0.000 1.051 269 S CB 1.084 64.291 63.200 0.013 0.000 1.037 269 S HN -0.715 7.615 8.310 0.034 0.000 0.485 270 T N 9.794 124.271 114.554 -0.128 0.000 2.759 270 T HA -0.319 nan 4.350 nan 0.000 0.269 270 T C 1.398 175.823 174.700 -0.458 0.000 1.042 270 T CA 4.482 66.391 62.100 -0.318 0.000 1.140 270 T CB -0.305 68.304 68.868 -0.432 0.000 0.864 270 T HN 0.714 8.884 8.240 -0.116 0.000 0.455 271 Q N 0.541 120.184 119.800 -0.261 0.000 2.084 271 Q HA -0.238 nan 4.340 nan 0.000 0.202 271 Q C 1.908 177.869 176.000 -0.065 0.000 0.978 271 Q CA 3.323 59.030 55.803 -0.159 0.000 0.844 271 Q CB -0.807 27.887 28.738 -0.074 0.000 0.898 271 Q HN 0.201 8.348 8.270 -0.184 0.012 0.426 272 T N 3.450 117.995 114.554 -0.015 0.000 2.746 272 T HA -0.306 nan 4.350 nan 0.000 0.267 272 T C 1.855 176.548 174.700 -0.011 0.000 1.039 272 T CA 4.604 66.735 62.100 0.052 0.000 1.142 272 T CB -0.713 68.242 68.868 0.144 0.000 0.866 272 T HN -0.669 7.560 8.240 -0.017 0.000 0.444 273 F N 3.299 123.103 119.950 -0.244 0.000 2.075 273 F HA -0.400 nan 4.527 nan 0.000 0.297 273 F C 0.817 176.551 175.800 -0.110 0.000 1.113 273 F CA 1.409 59.093 58.000 -0.528 0.000 1.218 273 F CB -0.135 38.664 39.000 -0.335 0.000 0.984 273 F HN -0.417 7.937 8.300 0.090 0.000 0.472 274 F N -1.377 118.241 119.950 -0.554 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.390 177.955 175.800 -0.392 0.000 1.096 274 F CA 1.964 59.638 58.000 -0.544 0.000 1.255 274 F CB -1.398 37.429 39.000 -0.288 0.000 0.997 274 F HN 0.310 8.545 8.300 -0.108 0.000 0.479 275 N N -0.777 117.880 118.700 -0.071 0.000 2.120 275 N HA -0.329 nan 4.740 nan 0.000 0.188 275 N C 2.231 177.642 175.510 -0.165 0.000 1.024 275 N CA 3.134 56.115 53.050 -0.115 0.000 0.852 275 N CB -0.584 37.871 38.487 -0.053 0.000 1.003 275 N HN 0.062 8.427 8.380 -0.025 0.000 0.424 276 A N 0.568 123.288 122.820 -0.167 0.000 1.877 276 A HA -0.233 nan 4.320 nan 0.000 0.216 276 A C 1.961 179.439 177.584 -0.176 0.000 1.186 276 A CA 2.965 54.915 52.037 -0.145 0.000 0.620 276 A CB -0.719 18.137 19.000 -0.241 0.000 0.822 276 A HN -0.256 7.715 8.150 -0.181 0.071 0.443 277 F N -0.232 119.470 119.950 -0.414 0.000 2.095 277 F HA -0.473 nan 4.527 nan 0.000 0.298 277 F C 1.722 177.257 175.800 -0.442 0.000 1.104 277 F CA 3.927 61.698 58.000 -0.382 0.000 1.232 277 F CB 0.236 38.884 39.000 -0.587 0.000 0.987 277 F HN 0.331 8.364 8.300 -0.267 0.107 0.475 278 V N -1.236 118.336 119.914 -0.570 0.000 2.332 278 V HA -0.577 nan 4.120 nan 0.000 0.248 278 V C 1.845 177.562 176.094 -0.627 0.000 1.055 278 V CA 4.653 66.379 62.300 -0.955 0.000 1.038 278 V CB -1.002 30.209 31.823 -1.019 0.000 0.651 278 V HN 0.253 8.200 8.190 -0.404 0.000 0.450 279 E N -0.972 119.004 120.200 -0.374 0.000 2.106 279 E HA -0.374 nan 4.350 nan 0.000 0.192 279 E C 2.095 178.591 176.600 -0.172 0.000 0.984 279 E CA 3.153 59.422 56.400 -0.218 0.000 0.806 279 E CB -0.070 29.557 29.700 -0.121 0.000 0.750 279 E HN -0.321 7.842 8.360 -0.330 0.000 0.458 280 A N 0.137 122.837 122.820 -0.200 0.000 1.877 280 A HA -0.271 nan 4.320 nan 0.000 0.216 280 A C 2.382 179.863 177.584 -0.172 0.000 1.186 280 A CA 3.296 55.253 52.037 -0.133 0.000 0.620 280 A CB -0.747 18.183 19.000 -0.118 0.000 0.822 280 A HN 0.167 8.170 8.150 -0.245 0.000 0.443 281 M N -1.661 117.724 119.600 -0.358 0.000 2.108 281 M HA -0.404 nan 4.480 nan 0.000 0.261 281 M C 2.330 178.635 176.300 0.007 0.000 1.066 281 M CA 2.849 58.017 55.300 -0.221 0.000 1.107 281 M CB -1.087 31.339 32.600 -0.289 0.000 1.356 281 M HN 0.412 8.368 8.290 -0.556 0.000 0.406 282 D N -1.288 119.103 120.400 -0.015 0.000 2.224 282 D HA -0.180 nan 4.640 nan 0.000 0.205 282 D C 2.312 178.635 176.300 0.038 0.000 0.965 282 D CA 2.820 56.863 54.000 0.071 0.000 0.852 282 D CB -0.433 40.405 40.800 0.063 0.000 0.947 282 D HN -0.214 7.997 8.370 -0.137 0.077 0.494 283 R N -1.630 118.871 120.500 0.003 0.000 2.066 283 R HA -0.175 nan 4.340 nan 0.000 0.232 283 R C 2.601 178.911 176.300 0.018 0.000 1.131 283 R CA 1.994 58.100 56.100 0.009 0.000 0.955 283 R CB -0.172 30.134 30.300 0.011 0.000 0.851 283 R HN -0.420 7.728 8.270 -0.030 0.104 0.432 284 M N 1.200 120.820 119.600 0.033 0.000 2.108 284 M HA -0.251 nan 4.480 nan 0.000 0.261 284 M C 2.073 178.395 176.300 0.037 0.000 1.066 284 M CA 3.425 58.753 55.300 0.046 0.000 1.107 284 M CB -0.049 32.608 32.600 0.094 0.000 1.356 284 M HN 0.350 8.654 8.290 0.025 0.000 0.406 285 G N -3.923 104.933 108.800 0.094 0.000 2.559 285 G HA2 -0.269 nan 3.960 nan 0.000 0.216 285 G HA3 -0.269 nan 3.960 nan 0.000 0.216 285 G C 0.334 175.271 174.900 0.062 0.000 1.126 285 G CA 1.309 46.489 45.100 0.133 0.000 0.778 285 G HN 0.314 8.669 8.290 0.109 0.000 0.543 286 N N -0.387 118.329 118.700 0.027 0.000 2.230 286 N HA 0.054 nan 4.740 nan 0.000 0.202 286 N C -0.611 174.883 175.510 -0.026 0.000 1.119 286 N CA -0.578 52.472 53.050 0.000 0.000 0.851 286 N CB 1.011 39.497 38.487 -0.000 0.000 0.990 286 N HN -0.475 7.728 8.380 0.026 0.192 0.497 287 I N 1.417 121.963 120.570 -0.041 0.000 2.587 287 I HA -0.156 nan 4.170 nan 0.000 0.284 287 I C -0.085 175.988 176.117 -0.072 0.000 1.134 287 I CA 1.022 62.275 61.300 -0.077 0.000 1.410 287 I CB 0.234 38.161 38.000 -0.122 0.000 1.392 287 I HN -0.763 7.371 8.210 -0.029 0.058 0.545 288 T N 2.571 117.079 114.554 -0.077 0.000 2.797 288 T HA -0.196 nan 4.350 nan 0.000 0.451 288 T C -1.460 173.204 174.700 -0.060 0.000 0.776 288 T CA -1.096 60.960 62.100 -0.074 0.000 2.987 288 T CB -1.784 67.025 68.868 -0.098 0.000 1.333 288 T HN 0.386 8.578 8.240 -0.079 0.000 0.423 289 P HA 0.120 nan 4.420 nan 0.000 0.276 289 P C -1.789 175.488 177.300 -0.038 0.000 1.244 289 P CA -1.207 61.870 63.100 -0.039 0.000 0.801 289 P CB 1.256 32.930 31.700 -0.042 0.000 1.006 290 L N 0.272 121.477 121.223 -0.029 0.000 2.257 290 L HA 0.313 nan 4.340 nan 0.000 0.290 290 L C -0.665 176.184 176.870 -0.034 0.000 1.044 290 L CA -0.764 54.063 54.840 -0.021 0.000 0.810 290 L CB 0.218 42.276 42.059 -0.003 0.000 1.193 290 L HN 0.388 8.604 8.230 -0.024 0.000 0.425 291 T N -2.984 111.550 114.554 -0.032 0.000 2.864 291 T HA 0.491 nan 4.350 nan 0.000 0.289 291 T C 0.347 175.042 174.700 -0.008 0.000 1.082 291 T CA -2.443 59.632 62.100 -0.042 0.000 1.009 291 T CB 3.403 72.239 68.868 -0.054 0.000 1.234 291 T HN 0.005 8.231 8.240 -0.024 0.000 0.526 292 G N 1.977 110.783 108.800 0.011 0.000 2.601 292 G HA2 -0.474 nan 3.960 nan 0.000 0.306 292 G HA3 -0.474 nan 3.960 nan 0.000 0.306 292 G C -0.330 174.595 174.900 0.042 0.000 1.172 292 G CA 2.136 47.258 45.100 0.037 0.000 0.966 292 G HN 0.558 8.850 8.290 0.005 0.000 0.542 293 T N 1.100 115.673 114.554 0.030 0.000 3.085 293 T HA 0.201 nan 4.350 nan 0.000 0.264 293 T C 0.999 175.714 174.700 0.025 0.000 1.019 293 T CA -0.680 61.439 62.100 0.032 0.000 0.910 293 T CB -0.042 68.843 68.868 0.028 0.000 1.059 293 T HN 0.206 8.460 8.240 0.023 0.000 0.542 294 Q N 2.856 122.667 119.800 0.019 0.000 2.394 294 Q HA 0.024 nan 4.340 nan 0.000 0.248 294 Q C 0.816 176.828 176.000 0.020 0.000 0.992 294 Q CA 0.449 56.261 55.803 0.016 0.000 0.888 294 Q CB 0.916 29.659 28.738 0.008 0.000 1.257 294 Q HN -0.473 7.750 8.270 0.016 0.056 0.462 295 G N 0.011 108.825 108.800 0.024 0.000 2.682 295 G HA2 -0.403 nan 3.960 nan 0.000 0.256 295 G HA3 -0.403 nan 3.960 nan 0.000 0.256 295 G C -1.572 173.346 174.900 0.030 0.000 1.333 295 G CA 0.037 45.153 45.100 0.027 0.000 0.904 295 G HN 0.234 8.539 8.290 0.024 0.000 0.569 296 Q N -2.707 117.112 119.800 0.032 0.000 2.857 296 Q HA 0.569 nan 4.340 nan 0.000 0.319 296 Q C -1.207 174.820 176.000 0.044 0.000 0.963 296 Q CA -1.821 54.005 55.803 0.038 0.000 0.770 296 Q CB 3.694 32.453 28.738 0.034 0.000 1.492 296 Q HN 0.437 8.617 8.270 0.030 0.108 0.493 297 I N 0.275 120.874 120.570 0.050 0.000 2.371 297 I HA 0.141 nan 4.170 nan 0.000 0.282 297 I C -0.081 176.061 176.117 0.041 0.000 1.031 297 I CA -1.058 60.275 61.300 0.055 0.000 1.180 297 I CB 0.016 38.062 38.000 0.076 0.000 1.336 297 I HN 0.346 8.585 8.210 0.048 0.000 0.467 298 R N 6.872 127.393 120.500 0.035 0.000 2.679 298 R HA -0.067 nan 4.340 nan 0.000 0.268 298 R C 0.227 176.540 176.300 0.023 0.000 1.044 298 R CA 0.326 56.443 56.100 0.028 0.000 1.105 298 R CB 0.751 31.067 30.300 0.028 0.000 0.989 298 R HN -0.224 8.346 8.270 0.036 -0.278 0.447 299 L N 0.327 121.562 121.223 0.019 0.000 2.162 299 L HA -0.072 nan 4.340 nan 0.000 0.205 299 L C -0.121 176.756 176.870 0.011 0.000 1.086 299 L CA 1.731 56.579 54.840 0.013 0.000 0.778 299 L CB 0.479 42.545 42.059 0.011 0.000 0.928 299 L HN 0.475 8.717 8.230 0.020 0.000 0.446 300 N N -3.015 115.694 118.700 0.015 0.000 2.352 300 N HA 0.098 nan 4.740 nan 0.000 0.291 300 N C 0.218 175.741 175.510 0.022 0.000 1.040 300 N CA -0.831 52.228 53.050 0.016 0.000 0.864 300 N CB 2.234 40.728 38.487 0.012 0.000 1.440 300 N HN -0.490 7.900 8.380 0.017 0.000 0.483 301 c N 4.582 123.199 118.600 0.028 0.000 2.409 301 c HA -0.215 nan 4.570 nan 0.000 0.284 301 c C 1.616 175.727 174.090 0.034 0.000 1.354 301 c CA 2.087 58.439 56.329 0.037 0.000 1.787 301 c CB -0.735 41.807 42.510 0.053 0.000 1.900 301 c HN 0.883 9.129 8.230 0.027 0.000 0.520 302 R N -2.768 117.747 120.500 0.025 0.000 2.240 302 R HA -0.055 nan 4.340 nan 0.000 0.203 302 R C -0.986 175.327 176.300 0.023 0.000 1.011 302 R CA 1.783 57.890 56.100 0.011 0.000 1.007 302 R CB 0.525 30.820 30.300 -0.008 0.000 0.911 302 R HN -0.153 8.398 8.270 0.023 -0.267 0.468 303 V N -8.163 111.768 119.914 0.029 0.000 3.007 303 V HA 0.349 nan 4.120 nan 0.000 0.311 303 V C -1.557 174.567 176.094 0.049 0.000 1.120 303 V CA -2.086 60.239 62.300 0.041 0.000 0.980 303 V CB 3.118 34.949 31.823 0.014 0.000 1.033 303 V HN -0.717 7.450 8.190 0.025 0.038 0.429 304 V N 1.310 121.268 119.914 0.072 0.000 2.715 304 V HA -0.017 nan 4.120 nan 0.000 0.299 304 V C 0.089 176.207 176.094 0.039 0.000 1.054 304 V CA -0.084 62.255 62.300 0.065 0.000 1.077 304 V CB 0.343 32.227 31.823 0.101 0.000 0.972 304 V HN 0.156 8.401 8.190 0.092 0.000 0.484 305 N N 6.128 124.848 118.700 0.033 0.000 2.513 305 N HA -0.034 nan 4.740 nan 0.000 0.268 305 N C -1.412 174.111 175.510 0.022 0.000 1.180 305 N CA 0.898 53.962 53.050 0.024 0.000 0.948 305 N CB 0.881 39.382 38.487 0.024 0.000 1.083 305 N HN 0.617 9.438 8.380 0.035 -0.421 0.455 306 S N 0.000 115.709 115.700 0.014 0.000 2.498 306 S HA 0.000 nan 4.470 nan 0.000 0.327 306 S CA 0.000 58.207 58.200 0.011 0.000 1.107 306 S CB 0.000 63.202 63.200 0.003 0.000 0.593 306 S HN 0.000 8.317 8.310 0.011 0.000 0.517