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 1rag_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.584 177.584 -0.001 0.000 1.274 1 A CA 0.000 51.986 52.037 -0.084 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 2 N N 3.176 121.891 118.700 0.024 0.000 2.482 2 N HA 0.464 5.203 4.740 -0.000 0.000 0.260 2 N C -1.031 174.535 175.510 0.093 0.000 1.236 2 N CA -0.782 52.303 53.050 0.058 0.000 0.938 2 N CB 0.701 39.227 38.487 0.066 0.000 1.128 2 N HN 0.260 nan 8.380 nan 0.000 0.448 3 P HA -0.180 nan 4.420 nan 0.000 0.217 3 P C 0.920 178.259 177.300 0.065 0.000 1.148 3 P CA 0.930 64.067 63.100 0.061 0.000 0.828 3 P CB 0.189 31.915 31.700 0.043 0.000 0.783 4 L N -2.305 118.963 121.223 0.074 0.000 2.591 4 L HA 0.131 4.471 4.340 -0.000 0.000 0.228 4 L C 0.917 177.809 176.870 0.037 0.000 1.133 4 L CA -0.420 54.449 54.840 0.049 0.000 0.880 4 L CB -1.548 40.544 42.059 0.055 0.000 1.033 4 L HN -0.109 nan 8.230 nan 0.000 0.450 5 Y N 1.433 121.726 120.300 -0.011 0.000 2.745 5 Y HA -0.020 4.529 4.550 -0.000 0.000 0.335 5 Y C 1.218 177.094 175.900 -0.040 0.000 1.212 5 Y CA 0.149 58.239 58.100 -0.017 0.000 1.535 5 Y CB -0.379 38.075 38.460 -0.010 0.000 1.220 5 Y HN 0.350 nan 8.280 nan 0.000 0.531 6 Q N 2.367 121.716 119.800 -0.752 0.000 2.475 6 Q HA -0.275 4.064 4.340 -0.000 0.000 0.280 6 Q C -0.750 174.993 176.000 -0.428 0.000 1.234 6 Q CA 1.027 56.445 55.803 -0.642 0.000 0.873 6 Q CB -0.474 27.752 28.738 -0.854 0.000 1.256 6 Q HN 0.678 nan 8.270 nan 0.000 0.475 7 K N 0.222 120.443 120.400 -0.298 0.000 2.090 7 K HA 0.333 4.653 4.320 -0.000 0.000 0.249 7 K C -0.360 176.071 176.600 -0.281 0.000 0.995 7 K CA -0.813 55.306 56.287 -0.280 0.000 0.914 7 K CB 0.773 33.205 32.500 -0.112 0.000 1.057 7 K HN 0.192 nan 8.250 nan 0.000 0.462 8 H N 1.388 120.438 119.070 -0.032 0.000 2.517 8 H HA 0.229 4.785 4.556 -0.000 0.000 0.317 8 H C -0.340 174.990 175.328 0.003 0.000 1.080 8 H CA -0.589 55.448 56.048 -0.020 0.000 1.301 8 H CB 0.663 30.410 29.762 -0.024 0.000 1.425 8 H HN 0.239 nan 8.280 nan 0.000 0.471 9 I N 5.184 125.830 120.570 0.127 0.000 2.276 9 I HA -0.019 4.150 4.170 -0.000 0.000 0.290 9 I C 0.915 177.094 176.117 0.103 0.000 1.109 9 I CA 0.209 61.572 61.300 0.104 0.000 1.229 9 I CB 0.089 38.155 38.000 0.110 0.000 1.452 9 I HN 0.525 nan 8.210 nan 0.000 0.497 10 I N 1.600 122.222 120.570 0.088 0.000 3.136 10 I HA 0.207 4.377 4.170 -0.000 0.000 0.262 10 I C 0.955 177.113 176.117 0.068 0.000 1.132 10 I CA 0.708 62.046 61.300 0.063 0.000 1.450 10 I CB -0.234 37.789 38.000 0.038 0.000 1.315 10 I HN 0.414 nan 8.210 nan 0.000 0.460 11 S N -0.434 115.306 115.700 0.067 0.000 2.569 11 S HA 0.465 4.935 4.470 -0.000 0.000 0.280 11 S C 0.433 175.076 174.600 0.071 0.000 1.111 11 S CA -0.511 57.729 58.200 0.068 0.000 0.887 11 S CB 1.806 65.037 63.200 0.051 0.000 1.095 11 S HN 0.072 nan 8.310 nan 0.000 0.476 12 I N 3.288 123.904 120.570 0.078 0.000 2.439 12 I HA 0.033 4.202 4.170 -0.000 0.000 0.251 12 I C 1.545 177.698 176.117 0.061 0.000 1.139 12 I CA 1.263 62.609 61.300 0.077 0.000 1.438 12 I CB -0.225 37.825 38.000 0.083 0.000 1.085 12 I HN 0.629 nan 8.210 nan 0.000 0.427 13 N N 0.856 119.588 118.700 0.052 0.000 2.519 13 N HA -0.138 4.601 4.740 -0.000 0.000 0.186 13 N C 0.887 176.416 175.510 0.031 0.000 1.062 13 N CA 0.974 54.047 53.050 0.038 0.000 0.910 13 N CB -0.323 38.184 38.487 0.034 0.000 0.958 13 N HN 0.436 nan 8.380 nan 0.000 0.445 14 D N -0.256 120.166 120.400 0.037 0.000 2.360 14 D HA 0.118 4.758 4.640 -0.000 0.000 0.210 14 D C 0.325 176.644 176.300 0.032 0.000 1.047 14 D CA 0.114 54.133 54.000 0.031 0.000 0.854 14 D CB 0.783 41.605 40.800 0.037 0.000 0.936 14 D HN 0.207 nan 8.370 nan 0.000 0.514 15 L N 1.218 122.465 121.223 0.039 0.000 2.309 15 L HA 0.258 4.598 4.340 -0.000 0.000 0.282 15 L C 0.954 177.839 176.870 0.026 0.000 1.036 15 L CA -0.615 54.249 54.840 0.041 0.000 0.806 15 L CB 1.717 43.812 42.059 0.061 0.000 1.220 15 L HN -0.134 nan 8.230 nan 0.000 0.429 16 S N 2.455 118.163 115.700 0.012 0.000 2.686 16 S HA 0.298 4.768 4.470 -0.000 0.000 0.270 16 S C 1.027 175.604 174.600 -0.038 0.000 1.194 16 S CA -0.600 57.589 58.200 -0.019 0.000 0.990 16 S CB 1.388 64.577 63.200 -0.019 0.000 1.029 16 S HN 0.712 nan 8.310 nan 0.000 0.560 17 R N 0.234 120.660 120.500 -0.124 0.000 2.073 17 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 17 R C 1.217 177.482 176.300 -0.059 0.000 1.134 17 R CA 2.038 57.994 56.100 -0.241 0.000 0.952 17 R CB -0.725 29.339 30.300 -0.393 0.000 0.850 17 R HN 0.739 nan 8.270 nan 0.000 0.433 18 D N 0.577 120.958 120.400 -0.032 0.000 2.117 18 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 18 D C 1.520 177.848 176.300 0.047 0.000 0.987 18 D CA 1.186 55.197 54.000 0.017 0.000 0.829 18 D CB -0.372 40.432 40.800 0.007 0.000 0.961 18 D HN 0.244 nan 8.370 nan 0.000 0.460 19 D N 0.301 120.725 120.400 0.040 0.000 2.117 19 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 19 D C 2.370 178.721 176.300 0.085 0.000 0.987 19 D CA 0.400 54.434 54.000 0.056 0.000 0.829 19 D CB -0.239 40.589 40.800 0.046 0.000 0.961 19 D HN 0.233 nan 8.370 nan 0.000 0.460 20 L N 0.481 121.770 121.223 0.111 0.000 2.093 20 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 20 L C 2.029 179.014 176.870 0.191 0.000 1.085 20 L CA 0.879 55.822 54.840 0.172 0.000 0.755 20 L CB -0.338 41.878 42.059 0.262 0.000 0.904 20 L HN 0.041 nan 8.230 nan 0.000 0.435 21 N N -0.256 118.559 118.700 0.191 0.000 2.142 21 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 21 N C 1.769 177.354 175.510 0.126 0.000 1.023 21 N CA 0.678 53.834 53.050 0.178 0.000 0.852 21 N CB -0.019 38.565 38.487 0.161 0.000 0.998 21 N HN 0.111 nan 8.380 nan 0.000 0.424 22 L N 1.224 122.507 121.223 0.099 0.000 1.989 22 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 22 L C 1.963 178.878 176.870 0.075 0.000 1.071 22 L CA 1.498 56.385 54.840 0.078 0.000 0.749 22 L CB -0.654 41.444 42.059 0.065 0.000 0.890 22 L HN -0.033 nan 8.230 nan 0.000 0.431 23 V N -0.575 119.385 119.914 0.076 0.000 2.332 23 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 23 V C 2.556 178.680 176.094 0.050 0.000 1.055 23 V CA 1.799 64.132 62.300 0.055 0.000 1.038 23 V CB -0.582 31.273 31.823 0.054 0.000 0.651 23 V HN 0.396 nan 8.190 nan 0.000 0.450 24 L N 0.028 121.311 121.223 0.100 0.000 2.156 24 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 24 L C 2.473 179.444 176.870 0.168 0.000 1.095 24 L CA 1.923 56.858 54.840 0.157 0.000 0.770 24 L CB -0.921 41.273 42.059 0.224 0.000 0.914 24 L HN 0.278 nan 8.230 nan 0.000 0.439 25 A N -1.660 121.233 122.820 0.122 0.000 1.929 25 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 25 A C 2.327 179.959 177.584 0.079 0.000 1.176 25 A CA 1.972 54.072 52.037 0.106 0.000 0.628 25 A CB -0.812 18.237 19.000 0.082 0.000 0.816 25 A HN 0.383 nan 8.150 nan 0.000 0.444 26 T N 0.335 114.922 114.554 0.054 0.000 2.821 26 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 26 T C 2.196 176.903 174.700 0.012 0.000 1.046 26 T CA 1.355 63.475 62.100 0.035 0.000 1.139 26 T CB -0.362 68.526 68.868 0.033 0.000 0.871 26 T HN 0.565 nan 8.240 nan 0.000 0.454 27 A N 1.427 124.219 122.820 -0.047 0.000 1.933 27 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 27 A C 2.617 180.159 177.584 -0.070 0.000 1.175 27 A CA 1.771 53.708 52.037 -0.167 0.000 0.628 27 A CB -1.000 17.617 19.000 -0.638 0.000 0.814 27 A HN 0.504 nan 8.150 nan 0.000 0.444 28 A N -0.463 122.417 122.820 0.100 0.000 1.898 28 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 28 A C 2.139 179.742 177.584 0.031 0.000 1.181 28 A CA 1.945 54.084 52.037 0.169 0.000 0.620 28 A CB -0.395 18.720 19.000 0.192 0.000 0.819 28 A HN 0.517 nan 8.150 nan 0.000 0.442 29 K N -0.515 119.903 120.400 0.030 0.000 2.025 29 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 29 K C 1.829 178.429 176.600 0.000 0.000 1.049 29 K CA 1.153 57.448 56.287 0.013 0.000 0.933 29 K CB -0.282 32.234 32.500 0.026 0.000 0.714 29 K HN 0.457 nan 8.250 nan 0.000 0.438 30 L N 0.816 122.050 121.223 0.017 0.000 2.191 30 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 30 L C 2.480 179.356 176.870 0.009 0.000 1.103 30 L CA 1.121 55.994 54.840 0.055 0.000 0.769 30 L CB -0.280 41.856 42.059 0.127 0.000 0.908 30 L HN 0.176 nan 8.230 nan 0.000 0.438 31 K N 0.310 120.585 120.400 -0.208 0.000 2.057 31 K HA -0.142 4.177 4.320 -0.000 0.000 0.206 31 K C 2.156 178.595 176.600 -0.270 0.000 1.050 31 K CA 1.251 57.145 56.287 -0.655 0.000 0.935 31 K CB -0.024 31.891 32.500 -0.976 0.000 0.715 31 K HN 0.261 nan 8.250 nan 0.000 0.439 32 A N 0.802 123.540 122.820 -0.136 0.000 1.874 32 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 32 A C 0.871 178.440 177.584 -0.025 0.000 1.189 32 A CA 1.110 53.108 52.037 -0.066 0.000 0.615 32 A CB -0.260 18.717 19.000 -0.038 0.000 0.830 32 A HN 0.490 nan 8.150 nan 0.000 0.443 33 N N 0.183 118.880 118.700 -0.005 0.000 2.531 33 N HA 0.374 5.114 4.740 -0.000 0.000 0.268 33 N C -3.160 172.369 175.510 0.031 0.000 1.023 33 N CA -1.731 51.327 53.050 0.013 0.000 0.896 33 N CB 1.379 39.874 38.487 0.013 0.000 1.233 33 N HN -0.056 nan 8.380 nan 0.000 0.512 34 P HA -0.059 nan 4.420 nan 0.000 0.264 34 P C -1.061 176.268 177.300 0.050 0.000 1.179 34 P CA 0.357 63.496 63.100 0.065 0.000 0.763 34 P CB 0.487 32.228 31.700 0.070 0.000 0.806 35 Q N 3.769 123.601 119.800 0.053 0.000 3.064 35 Q HA 0.175 4.515 4.340 -0.000 0.000 0.258 35 Q C -1.978 174.044 176.000 0.036 0.000 0.972 35 Q CA -1.365 54.461 55.803 0.038 0.000 0.761 35 Q CB 1.501 30.261 28.738 0.037 0.000 1.281 35 Q HN 0.410 nan 8.270 nan 0.000 0.455 36 P HA 0.016 nan 4.420 nan 0.000 0.245 36 P C 0.193 177.504 177.300 0.018 0.000 1.212 36 P CA 0.647 63.766 63.100 0.032 0.000 0.774 36 P CB 0.677 32.397 31.700 0.034 0.000 0.999 37 E N -0.993 119.210 120.200 0.004 0.000 2.714 37 E HA 0.097 4.447 4.350 -0.000 0.000 0.219 37 E C 1.299 177.884 176.600 -0.025 0.000 0.979 37 E CA -0.317 56.071 56.400 -0.021 0.000 1.092 37 E CB -0.002 29.678 29.700 -0.033 0.000 1.049 37 E HN 0.067 nan 8.360 nan 0.000 0.487 38 L N 0.603 121.826 121.223 -0.001 0.000 2.042 38 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 38 L C 1.526 178.398 176.870 0.003 0.000 1.076 38 L CA 1.786 56.629 54.840 0.006 0.000 0.749 38 L CB -0.029 42.044 42.059 0.023 0.000 0.893 38 L HN 0.141 nan 8.230 nan 0.000 0.432 39 L N -0.104 121.122 121.223 0.004 0.000 2.848 39 L HA 0.146 4.485 4.340 -0.000 0.000 0.240 39 L C 0.549 177.409 176.870 -0.015 0.000 1.232 39 L CA -0.296 54.550 54.840 0.010 0.000 1.031 39 L CB -0.390 41.683 42.059 0.024 0.000 1.338 39 L HN 0.123 nan 8.230 nan 0.000 0.509 40 K N 0.582 120.935 120.400 -0.078 0.000 2.524 40 K HA -0.080 4.240 4.320 -0.000 0.000 0.279 40 K C 0.325 176.809 176.600 -0.194 0.000 0.993 40 K CA 0.659 56.828 56.287 -0.197 0.000 1.030 40 K CB 0.085 32.390 32.500 -0.325 0.000 0.891 40 K HN 0.345 nan 8.250 nan 0.000 0.488 41 H N -0.207 118.884 119.070 0.036 0.000 3.642 41 H HA -0.159 4.397 4.556 -0.000 0.000 0.185 41 H C -0.386 174.965 175.328 0.038 0.000 0.992 41 H CA 0.767 56.837 56.048 0.035 0.000 1.216 41 H CB -0.532 29.250 29.762 0.034 0.000 1.055 41 H HN 0.461 nan 8.280 nan 0.000 0.351 42 K N 1.491 121.965 120.400 0.123 0.000 2.118 42 K HA 0.573 4.893 4.320 -0.000 0.000 0.264 42 K C 0.113 176.757 176.600 0.074 0.000 1.000 42 K CA -0.450 55.891 56.287 0.090 0.000 0.929 42 K CB 2.133 34.670 32.500 0.063 0.000 1.021 42 K HN -0.030 nan 8.250 nan 0.000 0.463 43 V N 3.783 123.738 119.914 0.068 0.000 2.588 43 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 43 V C -0.202 175.920 176.094 0.047 0.000 1.042 43 V CA -0.822 61.515 62.300 0.061 0.000 0.877 43 V CB 1.745 33.620 31.823 0.085 0.000 0.996 43 V HN 0.571 nan 8.190 nan 0.000 0.425 44 I N 3.171 123.754 120.570 0.021 0.000 2.569 44 I HA 0.771 4.941 4.170 -0.000 0.000 0.296 44 I C 0.230 176.344 176.117 -0.005 0.000 1.028 44 I CA -0.692 60.608 61.300 0.001 0.000 1.082 44 I CB 2.130 40.117 38.000 -0.021 0.000 1.264 44 I HN 0.673 nan 8.210 nan 0.000 0.429 45 A N 3.290 126.098 122.820 -0.020 0.000 2.301 45 A HA 0.574 4.893 4.320 -0.000 0.000 0.312 45 A C -0.110 177.415 177.584 -0.098 0.000 1.182 45 A CA -0.339 51.679 52.037 -0.031 0.000 0.826 45 A CB 1.017 20.002 19.000 -0.026 0.000 1.134 45 A HN 0.598 nan 8.150 nan 0.000 0.501 46 S N 1.943 117.578 115.700 -0.108 0.000 2.475 46 S HA 0.332 4.802 4.470 -0.000 0.000 0.249 46 S C -0.606 173.841 174.600 -0.255 0.000 1.298 46 S CA -0.517 57.628 58.200 -0.091 0.000 1.125 46 S CB -0.848 62.354 63.200 0.003 0.000 1.054 46 S HN 0.702 nan 8.310 nan 0.000 0.484 47 C N 5.513 124.519 119.300 -0.490 0.000 2.227 47 C HA 0.446 4.906 4.460 -0.000 0.000 0.333 47 C C -0.174 174.246 174.990 -0.950 0.000 1.145 47 C CA -0.738 57.647 59.018 -1.056 0.000 1.643 47 C CB -2.111 25.175 27.740 -0.757 0.000 2.185 47 C HN 0.769 nan 8.230 nan 0.000 0.497 48 F N 3.116 122.555 119.950 -0.852 0.000 2.291 48 F HA 0.354 4.881 4.527 -0.000 0.000 0.368 48 F C 0.803 176.453 175.800 -0.249 0.000 1.085 48 F CA -0.918 56.870 58.000 -0.354 0.000 1.165 48 F CB 0.188 39.056 39.000 -0.220 0.000 1.429 48 F HN 0.556 nan 8.300 nan 0.000 0.503 49 F N 0.288 120.229 119.950 -0.016 0.000 2.502 49 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 49 F C 1.246 177.063 175.800 0.029 0.000 1.111 49 F CA 0.432 58.502 58.000 0.117 0.000 1.445 49 F CB -0.045 38.976 39.000 0.034 0.000 1.081 49 F HN 0.303 nan 8.300 nan 0.000 0.558 50 E N 0.843 121.152 120.200 0.182 0.000 2.222 50 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 50 E C -0.841 175.864 176.600 0.176 0.000 0.884 50 E CA -1.020 55.451 56.400 0.118 0.000 0.764 50 E CB 1.709 31.442 29.700 0.055 0.000 1.169 50 E HN 0.004 nan 8.360 nan 0.000 0.413 51 A N 2.991 125.900 122.820 0.148 0.000 2.425 51 A HA 0.379 4.699 4.320 -0.000 0.000 0.249 51 A C -0.104 177.581 177.584 0.169 0.000 1.084 51 A CA -0.049 52.081 52.037 0.155 0.000 0.781 51 A CB 0.810 19.860 19.000 0.083 0.000 1.019 51 A HN 0.432 nan 8.150 nan 0.000 0.490 52 S N 1.211 117.015 115.700 0.175 0.000 2.511 52 S HA 0.330 4.800 4.470 -0.000 0.000 0.233 52 S C 0.821 175.407 174.600 -0.024 0.000 1.104 52 S CA -0.037 58.242 58.200 0.132 0.000 1.129 52 S CB 0.329 63.692 63.200 0.271 0.000 1.159 52 S HN 0.735 nan 8.310 nan 0.000 0.451 53 T N 3.715 118.247 114.554 -0.038 0.000 2.708 53 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 53 T C 1.952 176.611 174.700 -0.070 0.000 1.037 53 T CA 1.333 63.382 62.100 -0.086 0.000 1.146 53 T CB -0.217 68.626 68.868 -0.041 0.000 0.865 53 T HN 0.479 nan 8.240 nan 0.000 0.435 54 R N 1.045 121.545 120.500 -0.001 0.000 2.080 54 R HA -0.074 4.265 4.340 -0.000 0.000 0.236 54 R C 2.610 178.932 176.300 0.037 0.000 1.137 54 R CA 2.046 58.164 56.100 0.030 0.000 0.943 54 R CB -1.191 29.151 30.300 0.070 0.000 0.846 54 R HN 0.327 nan 8.270 nan 0.000 0.431 55 T N 0.051 114.659 114.554 0.090 0.000 2.821 55 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 55 T C 1.791 176.546 174.700 0.091 0.000 1.046 55 T CA 1.331 63.542 62.100 0.185 0.000 1.139 55 T CB -0.192 68.921 68.868 0.408 0.000 0.871 55 T HN 0.254 nan 8.240 nan 0.000 0.454 56 R N 0.604 120.932 120.500 -0.286 0.000 2.062 56 R HA 0.050 4.390 4.340 -0.000 0.000 0.231 56 R C 2.390 178.576 176.300 -0.190 0.000 1.136 56 R CA 1.054 56.795 56.100 -0.599 0.000 0.948 56 R CB -0.400 29.281 30.300 -1.031 0.000 0.845 56 R HN 0.331 nan 8.270 nan 0.000 0.430 57 L N 0.167 121.310 121.223 -0.133 0.000 2.079 57 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 57 L C 2.653 179.520 176.870 -0.006 0.000 1.081 57 L CA 1.524 56.332 54.840 -0.054 0.000 0.752 57 L CB -0.544 41.487 42.059 -0.047 0.000 0.896 57 L HN 0.336 nan 8.230 nan 0.000 0.433 58 S N -0.359 115.342 115.700 0.001 0.000 2.357 58 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 58 S C 1.952 176.561 174.600 0.015 0.000 1.031 58 S CA 0.895 59.083 58.200 -0.020 0.000 0.982 58 S CB -0.222 62.950 63.200 -0.046 0.000 0.853 58 S HN 0.258 nan 8.310 nan 0.000 0.458 59 F N 2.151 122.102 119.950 0.003 0.000 2.102 59 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 59 F C 2.499 178.295 175.800 -0.008 0.000 1.105 59 F CA 1.748 59.765 58.000 0.027 0.000 1.239 59 F CB -0.553 38.516 39.000 0.115 0.000 0.991 59 F HN 0.345 nan 8.300 nan 0.000 0.474 60 E N -1.208 119.101 120.200 0.181 0.000 2.150 60 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 60 E C 2.060 178.728 176.600 0.113 0.000 0.985 60 E CA 1.651 58.103 56.400 0.087 0.000 0.814 60 E CB -0.360 29.387 29.700 0.078 0.000 0.752 60 E HN 0.331 nan 8.360 nan 0.000 0.466 61 T N 0.666 115.287 114.554 0.111 0.000 2.777 61 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 61 T C 2.130 176.865 174.700 0.058 0.000 1.040 61 T CA 1.223 63.387 62.100 0.106 0.000 1.141 61 T CB -0.162 68.719 68.868 0.023 0.000 0.868 61 T HN 0.051 nan 8.240 nan 0.000 0.444 62 S N 1.386 117.092 115.700 0.010 0.000 2.383 62 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 62 S C 2.065 176.676 174.600 0.018 0.000 1.030 62 S CA 1.245 59.436 58.200 -0.016 0.000 1.002 62 S CB -0.379 62.806 63.200 -0.026 0.000 0.829 62 S HN 0.453 nan 8.310 nan 0.000 0.467 63 M N 0.109 119.715 119.600 0.010 0.000 2.156 63 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 63 M C 2.079 178.318 176.300 -0.101 0.000 1.067 63 M CA 1.179 56.443 55.300 -0.059 0.000 1.131 63 M CB -0.455 32.060 32.600 -0.142 0.000 1.368 63 M HN 0.279 nan 8.290 nan 0.000 0.416 64 H N 0.335 119.424 119.070 0.031 0.000 2.389 64 H HA 0.051 4.606 4.556 -0.000 0.000 0.299 64 H C 1.799 177.136 175.328 0.014 0.000 1.081 64 H CA 1.163 57.223 56.048 0.019 0.000 1.345 64 H CB -0.115 29.654 29.762 0.011 0.000 1.393 64 H HN 0.317 nan 8.280 nan 0.000 0.520 65 R N 0.612 121.178 120.500 0.110 0.000 2.339 65 R HA 0.039 4.379 4.340 -0.000 0.000 0.199 65 R C 0.913 177.248 176.300 0.057 0.000 1.018 65 R CA 0.292 56.435 56.100 0.071 0.000 1.036 65 R CB 0.192 30.518 30.300 0.043 0.000 0.899 65 R HN 0.258 nan 8.270 nan 0.000 0.473 66 L N -0.957 120.294 121.223 0.047 0.000 2.959 66 L HA 0.289 4.629 4.340 -0.000 0.000 0.259 66 L C 0.913 177.800 176.870 0.028 0.000 1.185 66 L CA 0.024 54.887 54.840 0.037 0.000 0.998 66 L CB 1.045 43.124 42.059 0.034 0.000 1.337 66 L HN 0.300 nan 8.230 nan 0.000 0.555 67 G N 0.230 109.054 108.800 0.040 0.000 2.175 67 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 67 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 67 G C 0.295 175.210 174.900 0.025 0.000 0.982 67 G CA -0.002 45.115 45.100 0.030 0.000 0.641 67 G HN 0.459 nan 8.290 nan 0.000 0.527 68 A N -0.098 122.727 122.820 0.008 0.000 2.279 68 A HA 0.857 5.177 4.320 -0.000 0.000 0.303 68 A C 0.612 178.177 177.584 -0.032 0.000 1.108 68 A CA 0.570 52.602 52.037 -0.009 0.000 0.830 68 A CB 1.052 20.037 19.000 -0.026 0.000 1.106 68 A HN 0.892 nan 8.150 nan 0.000 0.493 69 S N -0.613 115.092 115.700 0.008 0.000 2.585 69 S HA 0.566 5.036 4.470 -0.000 0.000 0.277 69 S C -0.378 174.209 174.600 -0.022 0.000 1.241 69 S CA -0.407 57.812 58.200 0.031 0.000 1.041 69 S CB 1.090 64.331 63.200 0.069 0.000 0.987 69 S HN 0.596 nan 8.310 nan 0.000 0.512 70 V N 3.248 123.159 119.914 -0.006 0.000 2.656 70 V HA 0.685 4.805 4.120 -0.000 0.000 0.307 70 V C -0.402 175.719 176.094 0.045 0.000 1.051 70 V CA -0.768 61.523 62.300 -0.015 0.000 0.893 70 V CB 1.608 33.386 31.823 -0.076 0.000 0.999 70 V HN 0.736 nan 8.190 nan 0.000 0.426 71 V N 0.759 120.701 119.914 0.046 0.000 2.962 71 V HA 1.153 5.273 4.120 -0.000 0.000 0.313 71 V C 0.114 176.242 176.094 0.057 0.000 1.099 71 V CA -0.023 62.319 62.300 0.070 0.000 0.971 71 V CB 1.349 33.234 31.823 0.103 0.000 1.028 71 V HN 1.464 nan 8.190 nan 0.000 0.430 72 G N 1.490 110.337 108.800 0.079 0.000 2.324 72 G HA2 0.615 4.575 3.960 -0.000 0.000 0.293 72 G HA3 0.615 4.575 3.960 -0.000 0.000 0.293 72 G C -1.652 173.309 174.900 0.102 0.000 1.297 72 G CA -0.073 45.041 45.100 0.024 0.000 0.853 72 G HN 1.984 nan 8.290 nan 0.000 0.535 73 F N -1.051 118.881 119.950 -0.030 0.000 2.662 73 F HA 0.886 5.413 4.527 -0.000 0.000 0.312 73 F C -0.226 175.567 175.800 -0.012 0.000 1.113 73 F CA -1.277 56.700 58.000 -0.038 0.000 0.951 73 F CB 1.796 40.751 39.000 -0.075 0.000 1.344 73 F HN 0.723 nan 8.300 nan 0.000 0.462 74 S N 0.713 116.499 115.700 0.144 0.000 2.561 74 S HA 0.508 4.978 4.470 -0.000 0.000 0.303 74 S C -1.001 173.723 174.600 0.208 0.000 1.110 74 S CA -0.531 57.737 58.200 0.114 0.000 1.034 74 S CB 2.044 65.263 63.200 0.032 0.000 1.010 74 S HN 0.815 nan 8.310 nan 0.000 0.482 75 D N 1.753 122.293 120.400 0.233 0.000 3.387 75 D HA 0.466 5.106 4.640 -0.000 0.000 0.216 75 D C 1.171 177.546 176.300 0.125 0.000 1.147 75 D CA 0.666 54.782 54.000 0.193 0.000 1.258 75 D CB 0.023 40.975 40.800 0.253 0.000 0.945 75 D HN 0.471 nan 8.370 nan 0.000 0.225 76 S N -1.036 114.730 115.700 0.111 0.000 3.140 76 S HA -0.291 4.179 4.470 -0.000 0.000 0.283 76 S C 0.710 175.340 174.600 0.051 0.000 1.462 76 S CA 1.656 59.897 58.200 0.068 0.000 3.164 76 S CB -1.902 61.336 63.200 0.062 0.000 1.477 76 S HN 0.900 nan 8.310 nan 0.000 0.493 77 A N 2.523 125.372 122.820 0.048 0.000 2.350 77 A HA 0.556 4.875 4.320 -0.000 0.000 0.293 77 A C 0.273 177.880 177.584 0.038 0.000 1.231 77 A CA -0.159 51.899 52.037 0.034 0.000 0.883 77 A CB -0.420 18.597 19.000 0.029 0.000 1.133 77 A HN 0.606 nan 8.150 nan 0.000 0.533 78 N N 1.731 120.447 118.700 0.026 0.000 1.576 78 N HA -0.084 4.655 4.740 -0.000 0.000 0.365 78 N C -0.168 175.347 175.510 0.007 0.000 1.235 78 N CA 1.949 55.007 53.050 0.014 0.000 0.770 78 N CB -0.069 38.419 38.487 0.002 0.000 0.985 78 N HN 0.684 nan 8.380 nan 0.000 0.528 79 T N -2.024 112.519 114.554 -0.018 0.000 3.160 79 T HA 0.266 4.616 4.350 -0.000 0.000 0.344 79 T C 0.277 174.886 174.700 -0.151 0.000 0.981 79 T CA -0.986 61.071 62.100 -0.071 0.000 1.170 79 T CB 0.633 69.475 68.868 -0.043 0.000 1.016 79 T HN 0.307 nan 8.240 nan 0.000 0.492 80 S N 1.396 117.035 115.700 -0.101 0.000 2.947 80 S HA -0.169 4.301 4.470 -0.000 0.000 0.422 80 S C 0.525 175.063 174.600 -0.103 0.000 0.798 80 S CA 0.476 58.622 58.200 -0.090 0.000 1.197 80 S CB -0.834 62.322 63.200 -0.074 0.000 0.757 80 S HN 0.621 nan 8.310 nan 0.000 0.421 81 L N 0.387 121.533 121.223 -0.128 0.000 2.343 81 L HA 0.662 5.001 4.340 -0.000 0.000 0.275 81 L C 1.247 178.114 176.870 -0.005 0.000 1.056 81 L CA 1.135 55.926 54.840 -0.082 0.000 0.804 81 L CB 0.617 42.597 42.059 -0.132 0.000 1.203 81 L HN 0.266 nan 8.230 nan 0.000 0.440 82 G N 1.934 110.734 108.800 -0.000 0.000 2.148 82 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 82 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 82 G C 0.348 175.239 174.900 -0.015 0.000 0.981 82 G CA 0.221 45.318 45.100 -0.005 0.000 0.670 82 G HN 0.506 nan 8.290 nan 0.000 0.528 83 K N 1.390 121.778 120.400 -0.021 0.000 2.339 83 K HA 0.458 4.778 4.320 -0.000 0.000 0.286 83 K C 1.044 177.631 176.600 -0.021 0.000 1.050 83 K CA 0.045 56.319 56.287 -0.022 0.000 0.956 83 K CB 0.490 32.974 32.500 -0.028 0.000 0.990 83 K HN 0.677 nan 8.250 nan 0.000 0.475 84 K N 1.862 122.251 120.400 -0.019 0.000 4.868 84 K HA -0.241 4.079 4.320 -0.000 0.000 0.314 84 K C 0.507 177.094 176.600 -0.021 0.000 0.932 84 K CA 0.666 56.943 56.287 -0.018 0.000 0.998 84 K CB -2.553 29.938 32.500 -0.016 0.000 1.704 84 K HN 0.899 nan 8.250 nan 0.000 0.426 85 G N 1.289 110.076 108.800 -0.022 0.000 2.291 85 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.287 85 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.287 85 G C 0.180 175.058 174.900 -0.036 0.000 0.998 85 G CA 1.096 46.180 45.100 -0.028 0.000 0.728 85 G HN 0.916 nan 8.290 nan 0.000 0.519 86 E N 1.718 121.898 120.200 -0.034 0.000 2.498 86 E HA 0.343 4.692 4.350 -0.000 0.000 0.252 86 E C 1.450 178.014 176.600 -0.059 0.000 1.025 86 E CA 0.340 56.715 56.400 -0.042 0.000 0.938 86 E CB 0.153 29.835 29.700 -0.031 0.000 0.947 86 E HN 0.463 nan 8.360 nan 0.000 0.478 87 T N 1.758 116.259 114.554 -0.088 0.000 2.795 87 T HA -0.047 4.302 4.350 -0.000 0.000 0.314 87 T C 1.156 175.761 174.700 -0.158 0.000 1.069 87 T CA -0.604 61.419 62.100 -0.128 0.000 1.071 87 T CB 0.771 69.541 68.868 -0.164 0.000 0.988 87 T HN 0.549 nan 8.240 nan 0.000 0.543 88 L N 1.918 123.021 121.223 -0.202 0.000 2.046 88 L HA 0.100 4.439 4.340 -0.000 0.000 0.208 88 L C 2.798 179.480 176.870 -0.314 0.000 1.077 88 L CA 2.231 56.927 54.840 -0.239 0.000 0.747 88 L CB -1.430 40.428 42.059 -0.336 0.000 0.896 88 L HN 0.959 nan 8.230 nan 0.000 0.432 89 A N -0.389 122.109 122.820 -0.536 0.000 1.869 89 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 89 A C 2.009 179.248 177.584 -0.575 0.000 1.203 89 A CA 2.289 53.682 52.037 -1.073 0.000 0.638 89 A CB -1.108 16.880 19.000 -1.687 0.000 0.831 89 A HN 0.538 nan 8.150 nan 0.000 0.450 90 D N -0.824 119.370 120.400 -0.345 0.000 2.182 90 D HA -0.084 4.555 4.640 -0.000 0.000 0.201 90 D C 2.056 178.309 176.300 -0.079 0.000 0.986 90 D CA 1.745 55.654 54.000 -0.152 0.000 0.847 90 D CB -0.672 40.062 40.800 -0.109 0.000 0.942 90 D HN 0.477 nan 8.370 nan 0.000 0.467 91 T N 1.023 115.537 114.554 -0.067 0.000 2.737 91 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 91 T C 1.908 176.616 174.700 0.013 0.000 1.038 91 T CA 0.437 62.542 62.100 0.008 0.000 1.144 91 T CB 0.005 68.922 68.868 0.083 0.000 0.866 91 T HN 0.085 nan 8.240 nan 0.000 0.434 92 I N 1.739 122.308 120.570 -0.002 0.000 2.493 92 I HA -0.059 4.111 4.170 -0.000 0.000 0.254 92 I C 2.452 178.577 176.117 0.014 0.000 1.160 92 I CA 1.043 62.353 61.300 0.018 0.000 1.445 92 I CB -1.291 36.727 38.000 0.030 0.000 1.086 92 I HN 0.180 nan 8.210 nan 0.000 0.433 93 S N 0.379 116.094 115.700 0.025 0.000 2.406 93 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 93 S C 2.184 176.781 174.600 -0.005 0.000 1.020 93 S CA 0.731 58.965 58.200 0.057 0.000 0.965 93 S CB -0.015 63.240 63.200 0.093 0.000 0.798 93 S HN 0.249 nan 8.310 nan 0.000 0.488 94 V N 1.735 121.633 119.914 -0.027 0.000 2.379 94 V HA 0.006 4.125 4.120 -0.000 0.000 0.243 94 V C 2.030 177.984 176.094 -0.233 0.000 1.035 94 V CA 1.071 63.341 62.300 -0.050 0.000 1.035 94 V CB -0.515 31.314 31.823 0.010 0.000 0.673 94 V HN 0.411 nan 8.190 nan 0.000 0.457 95 I N 1.435 121.847 120.570 -0.262 0.000 2.264 95 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 95 I C 2.415 178.217 176.117 -0.526 0.000 1.111 95 I CA 1.932 62.932 61.300 -0.500 0.000 1.382 95 I CB -0.344 37.556 38.000 -0.167 0.000 1.060 95 I HN 0.452 nan 8.210 nan 0.000 0.418 96 S N -1.375 114.179 115.700 -0.244 0.000 2.603 96 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 96 S C 1.690 176.211 174.600 -0.131 0.000 0.972 96 S CA 0.828 58.938 58.200 -0.149 0.000 0.935 96 S CB -0.474 62.695 63.200 -0.051 0.000 0.769 96 S HN 0.315 nan 8.310 nan 0.000 0.536 97 T N 1.654 116.097 114.554 -0.185 0.000 3.163 97 T HA 0.074 4.424 4.350 -0.000 0.000 0.260 97 T C 0.363 175.122 174.700 0.098 0.000 1.156 97 T CA 0.801 62.886 62.100 -0.024 0.000 1.072 97 T CB -0.298 68.570 68.868 0.001 0.000 0.937 97 T HN 0.912 nan 8.240 nan 0.000 0.528 98 Y N -1.617 118.704 120.300 0.034 0.000 2.926 98 Y HA 0.509 5.059 4.550 -0.000 0.000 0.279 98 Y C -0.250 175.669 175.900 0.031 0.000 1.035 98 Y CA -1.530 56.588 58.100 0.031 0.000 1.268 98 Y CB -0.480 37.998 38.460 0.029 0.000 1.392 98 Y HN -0.007 nan 8.280 nan 0.000 0.585 99 V N -2.265 117.733 119.914 0.140 0.000 3.019 99 V HA 0.585 4.705 4.120 -0.000 0.000 0.317 99 V C 0.016 176.146 176.094 0.059 0.000 1.094 99 V CA -0.510 61.860 62.300 0.117 0.000 1.000 99 V CB 2.382 34.247 31.823 0.070 0.000 1.060 99 V HN 0.079 nan 8.190 nan 0.000 0.443 100 D N 0.940 121.371 120.400 0.053 0.000 2.389 100 D HA 0.499 5.139 4.640 -0.000 0.000 0.206 100 D C 0.508 176.820 176.300 0.020 0.000 1.055 100 D CA 1.293 55.317 54.000 0.040 0.000 0.856 100 D CB 1.427 42.259 40.800 0.052 0.000 0.957 100 D HN 0.969 nan 8.370 nan 0.000 0.509 101 A N 0.463 123.289 122.820 0.009 0.000 2.594 101 A HA 0.575 4.895 4.320 -0.000 0.000 0.296 101 A C -1.435 176.135 177.584 -0.023 0.000 1.061 101 A CA -0.607 51.429 52.037 -0.002 0.000 0.689 101 A CB 1.097 20.096 19.000 -0.001 0.000 1.280 101 A HN 0.005 nan 8.150 nan 0.000 0.406 102 I N 1.910 122.461 120.570 -0.033 0.000 2.339 102 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 102 I C -0.599 175.443 176.117 -0.125 0.000 0.994 102 I CA -0.872 60.388 61.300 -0.066 0.000 1.191 102 I CB 1.773 39.749 38.000 -0.041 0.000 1.343 102 I HN 0.348 nan 8.210 nan 0.000 0.458 103 V N 7.792 127.578 119.914 -0.213 0.000 2.427 103 V HA 0.540 4.660 4.120 -0.000 0.000 0.286 103 V C 0.029 175.894 176.094 -0.382 0.000 1.034 103 V CA -0.461 61.619 62.300 -0.365 0.000 0.893 103 V CB 1.535 32.984 31.823 -0.624 0.000 0.982 103 V HN 0.760 nan 8.190 nan 0.000 0.452 104 M N 4.373 123.752 119.600 -0.370 0.000 2.433 104 M HA 0.722 5.202 4.480 -0.000 0.000 0.290 104 M C -1.076 174.983 176.300 -0.403 0.000 1.173 104 M CA -0.758 54.320 55.300 -0.371 0.000 0.905 104 M CB 2.574 35.143 32.600 -0.052 0.000 1.692 104 M HN 0.477 nan 8.290 nan 0.000 0.462 105 R N 1.310 121.505 120.500 -0.509 0.000 2.711 105 R HA 0.618 4.957 4.340 -0.000 0.000 0.284 105 R C -1.751 174.582 176.300 0.054 0.000 0.968 105 R CA -0.436 55.483 56.100 -0.302 0.000 0.924 105 R CB 1.500 31.529 30.300 -0.451 0.000 1.162 105 R HN 0.946 nan 8.270 nan 0.000 0.465 106 H N 3.984 123.028 119.070 -0.043 0.000 3.046 106 H HA 0.234 4.790 4.556 -0.000 0.000 0.363 106 H C -2.311 172.994 175.328 -0.038 0.000 1.203 106 H CA -1.672 54.364 56.048 -0.019 0.000 1.169 106 H CB 2.879 32.542 29.762 -0.166 0.000 1.851 106 H HN 0.408 nan 8.280 nan 0.000 0.546 107 P HA -0.031 nan 4.420 nan 0.000 0.229 107 P C -0.113 177.207 177.300 0.034 0.000 1.160 107 P CA 0.721 63.772 63.100 -0.082 0.000 0.777 107 P CB 1.017 32.636 31.700 -0.136 0.000 0.814 108 Q N 0.376 120.295 119.800 0.200 0.000 2.222 108 Q HA 0.246 4.586 4.340 -0.000 0.000 0.252 108 Q C -0.407 175.639 176.000 0.075 0.000 0.926 108 Q CA -0.621 55.259 55.803 0.129 0.000 0.899 108 Q CB 0.953 29.772 28.738 0.136 0.000 1.250 108 Q HN 0.007 nan 8.270 nan 0.000 0.441 109 E N 0.042 120.256 120.200 0.024 0.000 2.313 109 E HA 0.386 4.736 4.350 -0.000 0.000 0.276 109 E C 0.632 177.215 176.600 -0.029 0.000 1.031 109 E CA 0.817 57.219 56.400 0.004 0.000 0.857 109 E CB 0.915 30.618 29.700 0.005 0.000 1.040 109 E HN 0.825 nan 8.360 nan 0.000 0.408 110 G N 1.693 110.466 108.800 -0.045 0.000 2.238 110 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 110 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 110 G C 1.223 176.051 174.900 -0.119 0.000 0.996 110 G CA 0.413 45.472 45.100 -0.068 0.000 0.632 110 G HN 0.649 nan 8.290 nan 0.000 0.503 111 A N 0.821 123.528 122.820 -0.188 0.000 1.940 111 A HA 0.323 4.643 4.320 -0.000 0.000 0.219 111 A C 2.788 180.220 177.584 -0.253 0.000 1.176 111 A CA 3.035 54.858 52.037 -0.355 0.000 0.631 111 A CB -0.830 17.753 19.000 -0.695 0.000 0.814 111 A HN 1.806 nan 8.150 nan 0.000 0.446 112 A N -0.534 122.193 122.820 -0.156 0.000 1.968 112 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 112 A C 2.179 179.695 177.584 -0.113 0.000 1.169 112 A CA 1.635 53.602 52.037 -0.116 0.000 0.638 112 A CB -0.390 18.567 19.000 -0.072 0.000 0.812 112 A HN 0.590 nan 8.150 nan 0.000 0.446 113 R N -0.628 119.814 120.500 -0.096 0.000 2.062 113 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 113 R C 1.984 178.233 176.300 -0.086 0.000 1.128 113 R CA 1.484 57.531 56.100 -0.087 0.000 0.960 113 R CB -0.510 29.756 30.300 -0.058 0.000 0.855 113 R HN 0.371 nan 8.270 nan 0.000 0.432 114 L N 0.922 122.101 121.223 -0.074 0.000 2.043 114 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 114 L C 2.278 179.175 176.870 0.046 0.000 1.075 114 L CA 2.264 57.099 54.840 -0.009 0.000 0.752 114 L CB -0.761 41.263 42.059 -0.058 0.000 0.891 114 L HN 0.321 nan 8.230 nan 0.000 0.432 115 A N -1.736 121.057 122.820 -0.045 0.000 1.948 115 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 115 A C 2.299 179.854 177.584 -0.048 0.000 1.177 115 A CA 2.379 54.406 52.037 -0.018 0.000 0.636 115 A CB -1.286 17.668 19.000 -0.076 0.000 0.815 115 A HN 0.537 nan 8.150 nan 0.000 0.449 116 T N -0.170 114.270 114.554 -0.189 0.000 2.881 116 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 116 T C 1.518 176.076 174.700 -0.237 0.000 1.068 116 T CA 1.651 63.517 62.100 -0.391 0.000 1.131 116 T CB -0.232 68.358 68.868 -0.464 0.000 0.871 116 T HN 0.701 nan 8.240 nan 0.000 0.479 117 E N -0.622 119.468 120.200 -0.182 0.000 2.481 117 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 117 E C 0.619 176.765 176.600 -0.755 0.000 1.047 117 E CA 0.512 56.677 56.400 -0.392 0.000 0.867 117 E CB 0.124 29.590 29.700 -0.390 0.000 0.858 117 E HN 0.527 nan 8.360 nan 0.000 0.513 118 F N -1.210 118.690 119.950 -0.083 0.000 2.746 118 F HA 0.081 4.608 4.527 -0.000 0.000 0.320 118 F C 1.948 177.713 175.800 -0.057 0.000 1.097 118 F CA -0.060 57.902 58.000 -0.063 0.000 1.195 118 F CB 0.770 39.729 39.000 -0.067 0.000 1.056 118 F HN -0.068 nan 8.300 nan 0.000 0.562 119 S N -0.995 114.712 115.700 0.011 0.000 2.593 119 S HA 0.467 4.936 4.470 -0.000 0.000 0.217 119 S C 1.566 176.177 174.600 0.019 0.000 0.966 119 S CA 0.480 58.691 58.200 0.020 0.000 0.914 119 S CB -0.273 62.929 63.200 0.003 0.000 0.776 119 S HN 0.545 nan 8.310 nan 0.000 0.523 120 G N 2.816 111.617 108.800 0.001 0.000 2.559 120 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.282 120 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.282 120 G C 0.214 175.130 174.900 0.028 0.000 1.177 120 G CA 0.255 45.357 45.100 0.004 0.000 0.960 120 G HN 0.471 nan 8.290 nan 0.000 0.540 121 N N 0.533 119.244 118.700 0.019 0.000 2.282 121 N HA 0.342 5.082 4.740 -0.000 0.000 0.240 121 N C -0.005 175.505 175.510 -0.001 0.000 1.182 121 N CA 0.332 53.382 53.050 0.001 0.000 0.874 121 N CB 1.221 39.695 38.487 -0.021 0.000 1.126 121 N HN 0.406 nan 8.380 nan 0.000 0.516 122 V N 4.165 124.101 119.914 0.036 0.000 2.432 122 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 122 V C -1.855 174.294 176.094 0.092 0.000 1.046 122 V CA -1.403 60.914 62.300 0.029 0.000 0.945 122 V CB 1.217 33.051 31.823 0.019 0.000 0.992 122 V HN 0.059 nan 8.190 nan 0.000 0.471 123 P HA 0.076 nan 4.420 nan 0.000 0.266 123 P C -0.698 176.705 177.300 0.171 0.000 1.195 123 P CA 0.139 63.291 63.100 0.087 0.000 0.768 123 P CB 1.059 32.712 31.700 -0.078 0.000 0.838 124 V N 4.721 124.837 119.914 0.338 0.000 2.409 124 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 124 V C 0.368 176.511 176.094 0.083 0.000 1.020 124 V CA -0.558 61.797 62.300 0.093 0.000 0.848 124 V CB 1.231 33.015 31.823 -0.065 0.000 0.990 124 V HN 0.336 nan 8.190 nan 0.000 0.430 125 L N 4.005 125.236 121.223 0.013 0.000 2.341 125 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 125 L C -0.172 176.695 176.870 -0.005 0.000 1.005 125 L CA -0.699 54.166 54.840 0.042 0.000 0.818 125 L CB 1.725 43.826 42.059 0.070 0.000 1.259 125 L HN 0.489 nan 8.230 nan 0.000 0.418 126 N N 1.851 120.583 118.700 0.053 0.000 2.422 126 N HA 0.357 5.096 4.740 -0.000 0.000 0.264 126 N C 0.196 175.767 175.510 0.100 0.000 1.063 126 N CA -0.100 52.969 53.050 0.031 0.000 0.959 126 N CB 1.903 40.418 38.487 0.047 0.000 1.087 126 N HN 0.751 nan 8.380 nan 0.000 0.483 127 A N 2.232 125.052 122.820 0.001 0.000 2.387 127 A HA 0.549 4.869 4.320 -0.000 0.000 0.234 127 A C 0.573 178.073 177.584 -0.140 0.000 1.253 127 A CA 0.304 52.409 52.037 0.114 0.000 0.894 127 A CB -0.614 18.390 19.000 0.007 0.000 0.963 127 A HN 0.862 nan 8.150 nan 0.000 0.508 128 G N 0.774 109.471 108.800 -0.173 0.000 2.350 128 G HA2 0.371 4.331 3.960 -0.000 0.000 0.274 128 G HA3 0.371 4.331 3.960 -0.000 0.000 0.274 128 G C -1.826 173.015 174.900 -0.098 0.000 1.621 128 G CA -0.256 44.688 45.100 -0.260 0.000 0.935 128 G HN 0.402 nan 8.290 nan 0.000 0.694 129 D N 1.653 122.029 120.400 -0.040 0.000 2.420 129 D HA 0.572 5.212 4.640 -0.000 0.000 0.255 129 D C 1.173 177.485 176.300 0.020 0.000 1.185 129 D CA 0.430 54.432 54.000 0.003 0.000 0.904 129 D CB 0.721 41.517 40.800 -0.006 0.000 1.102 129 D HN 1.789 nan 8.370 nan 0.000 0.534 130 G N 2.942 111.757 108.800 0.025 0.000 2.614 130 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.303 130 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.303 130 G C 0.806 175.732 174.900 0.042 0.000 1.270 130 G CA 0.740 45.858 45.100 0.030 0.000 0.988 130 G HN 0.981 nan 8.290 nan 0.000 0.551 131 S N 0.946 116.681 115.700 0.057 0.000 2.754 131 S HA 0.146 4.616 4.470 -0.000 0.000 0.223 131 S C 1.248 175.911 174.600 0.105 0.000 0.951 131 S CA 1.065 59.321 58.200 0.093 0.000 0.954 131 S CB 0.176 63.445 63.200 0.115 0.000 0.780 131 S HN 0.793 nan 8.310 nan 0.000 0.509 132 N N 1.438 120.185 118.700 0.077 0.000 2.400 132 N HA 0.122 4.862 4.740 -0.000 0.000 0.228 132 N C 0.161 175.732 175.510 0.102 0.000 1.023 132 N CA 0.703 53.801 53.050 0.080 0.000 1.150 132 N CB 0.181 38.693 38.487 0.042 0.000 1.452 132 N HN 0.222 nan 8.380 nan 0.000 0.605 133 Q N -0.958 118.894 119.800 0.088 0.000 2.496 133 Q HA 0.254 4.594 4.340 -0.000 0.000 0.286 133 Q C -1.177 174.912 176.000 0.150 0.000 1.103 133 Q CA -0.468 55.408 55.803 0.122 0.000 0.813 133 Q CB 1.874 30.672 28.738 0.100 0.000 1.444 133 Q HN 0.545 nan 8.270 nan 0.000 0.443 134 H N 0.938 120.063 119.070 0.092 0.000 2.927 134 H HA 0.207 4.763 4.556 -0.000 0.000 0.213 134 H C -2.173 173.221 175.328 0.110 0.000 1.363 134 H CA -1.758 54.355 56.048 0.108 0.000 1.369 134 H CB 0.507 30.336 29.762 0.111 0.000 2.040 134 H HN 0.265 nan 8.280 nan 0.000 0.544 135 P HA -0.118 nan 4.420 nan 0.000 0.218 135 P C 1.566 178.935 177.300 0.116 0.000 1.148 135 P CA 1.092 64.285 63.100 0.154 0.000 0.822 135 P CB 0.355 32.139 31.700 0.139 0.000 0.784 136 T N -1.068 113.577 114.554 0.152 0.000 2.995 136 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 136 T C 1.909 176.567 174.700 -0.071 0.000 1.091 136 T CA 1.082 63.214 62.100 0.052 0.000 1.128 136 T CB -0.326 68.622 68.868 0.134 0.000 0.891 136 T HN 0.020 nan 8.240 nan 0.000 0.492 137 Q N 0.449 120.119 119.800 -0.217 0.000 2.137 137 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 137 Q C 2.175 178.135 176.000 -0.066 0.000 0.960 137 Q CA 1.702 57.339 55.803 -0.277 0.000 0.847 137 Q CB -0.512 27.859 28.738 -0.613 0.000 0.915 137 Q HN 0.412 nan 8.270 nan 0.000 0.448 138 T N 0.946 115.493 114.554 -0.011 0.000 2.867 138 T HA -0.039 4.310 4.350 -0.000 0.000 0.268 138 T C 1.651 176.389 174.700 0.064 0.000 1.057 138 T CA 1.064 63.186 62.100 0.037 0.000 1.136 138 T CB -0.140 68.760 68.868 0.054 0.000 0.874 138 T HN 0.206 nan 8.240 nan 0.000 0.466 139 L N 0.915 122.173 121.223 0.059 0.000 2.017 139 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 139 L C 2.530 179.457 176.870 0.095 0.000 1.073 139 L CA 1.228 56.112 54.840 0.073 0.000 0.745 139 L CB -0.795 41.288 42.059 0.040 0.000 0.894 139 L HN 0.330 nan 8.230 nan 0.000 0.432 140 L N -2.572 118.692 121.223 0.068 0.000 2.141 140 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 140 L C 1.867 178.867 176.870 0.217 0.000 1.094 140 L CA 1.597 56.519 54.840 0.136 0.000 0.763 140 L CB -0.782 41.316 42.059 0.065 0.000 0.908 140 L HN 0.054 nan 8.230 nan 0.000 0.437 141 D N 0.777 121.281 120.400 0.173 0.000 2.084 141 D HA -0.110 4.529 4.640 -0.000 0.000 0.196 141 D C 2.396 178.800 176.300 0.173 0.000 0.985 141 D CA 1.726 55.850 54.000 0.207 0.000 0.826 141 D CB -0.331 40.582 40.800 0.189 0.000 0.978 141 D HN 0.391 nan 8.370 nan 0.000 0.456 142 L N 0.028 121.332 121.223 0.134 0.000 2.043 142 L HA -0.208 4.131 4.340 -0.000 0.000 0.212 142 L C 2.432 179.395 176.870 0.155 0.000 1.075 142 L CA 0.956 55.857 54.840 0.101 0.000 0.752 142 L CB -0.429 41.687 42.059 0.096 0.000 0.891 142 L HN -0.008 nan 8.230 nan 0.000 0.432 143 F N 0.731 120.713 119.950 0.054 0.000 2.171 143 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 143 F C 2.440 178.291 175.800 0.084 0.000 1.090 143 F CA 1.996 60.036 58.000 0.067 0.000 1.293 143 F CB -0.475 38.583 39.000 0.096 0.000 1.013 143 F HN -0.052 nan 8.300 nan 0.000 0.486 144 T N 1.064 115.713 114.554 0.158 0.000 2.904 144 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 144 T C 2.159 176.858 174.700 -0.001 0.000 1.059 144 T CA 1.548 63.695 62.100 0.078 0.000 1.137 144 T CB -0.305 68.713 68.868 0.251 0.000 0.879 144 T HN 0.262 nan 8.240 nan 0.000 0.467 145 I N 0.918 121.496 120.570 0.014 0.000 2.252 145 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 145 I C 2.868 178.920 176.117 -0.109 0.000 1.102 145 I CA 1.206 62.483 61.300 -0.038 0.000 1.385 145 I CB -0.378 37.605 38.000 -0.028 0.000 1.064 145 I HN 0.248 nan 8.210 nan 0.000 0.414 146 Q N 1.145 120.871 119.800 -0.123 0.000 2.046 146 Q HA -0.286 4.054 4.340 -0.000 0.000 0.200 146 Q C 2.186 178.064 176.000 -0.203 0.000 0.975 146 Q CA 2.043 57.755 55.803 -0.152 0.000 0.836 146 Q CB -0.081 28.590 28.738 -0.112 0.000 0.896 146 Q HN 0.531 nan 8.270 nan 0.000 0.428 147 E N -0.427 119.579 120.200 -0.324 0.000 2.110 147 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 147 E C 1.763 178.237 176.600 -0.209 0.000 0.988 147 E CA 1.781 57.987 56.400 -0.324 0.000 0.804 147 E CB -0.020 29.337 29.700 -0.571 0.000 0.745 147 E HN 0.519 nan 8.360 nan 0.000 0.458 148 T N -1.963 112.463 114.554 -0.213 0.000 2.978 148 T HA 0.001 4.351 4.350 -0.000 0.000 0.262 148 T C 1.755 176.321 174.700 -0.224 0.000 1.063 148 T CA 0.347 62.282 62.100 -0.275 0.000 1.140 148 T CB 0.165 68.770 68.868 -0.438 0.000 0.886 148 T HN 0.016 nan 8.240 nan 0.000 0.470 149 Q N 0.625 120.318 119.800 -0.178 0.000 2.402 149 Q HA 0.326 4.666 4.340 -0.000 0.000 0.206 149 Q C 2.049 177.975 176.000 -0.124 0.000 0.919 149 Q CA 0.920 56.637 55.803 -0.144 0.000 0.923 149 Q CB 0.057 28.720 28.738 -0.126 0.000 1.048 149 Q HN 0.766 nan 8.270 nan 0.000 0.515 150 G N 1.925 110.651 108.800 -0.123 0.000 2.225 150 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 150 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 150 G C 0.329 175.177 174.900 -0.087 0.000 0.988 150 G CA 0.603 45.644 45.100 -0.098 0.000 0.625 150 G HN 0.434 nan 8.290 nan 0.000 0.527 151 R N -2.163 118.276 120.500 -0.103 0.000 2.795 151 R HA 0.806 5.146 4.340 -0.000 0.000 0.268 151 R C -0.335 175.870 176.300 -0.158 0.000 1.041 151 R CA -1.028 55.010 56.100 -0.104 0.000 0.927 151 R CB 0.406 30.658 30.300 -0.081 0.000 1.235 151 R HN 0.272 nan 8.270 nan 0.000 0.463 152 L N 0.427 121.518 121.223 -0.220 0.000 3.086 152 L HA 0.334 4.674 4.340 -0.000 0.000 0.274 152 L C -1.237 175.467 176.870 -0.276 0.000 1.184 152 L CA 0.331 54.930 54.840 -0.401 0.000 1.002 152 L CB 0.010 41.545 42.059 -0.873 0.000 1.383 152 L HN 0.781 nan 8.230 nan 0.000 0.582 153 D N -2.640 117.700 120.400 -0.101 0.000 2.423 153 D HA 0.427 5.067 4.640 -0.000 0.000 0.235 153 D C -0.054 176.225 176.300 -0.035 0.000 1.011 153 D CA -0.741 53.267 54.000 0.013 0.000 0.963 153 D CB 0.371 41.226 40.800 0.091 0.000 1.349 153 D HN -0.053 nan 8.370 nan 0.000 0.508 154 N N -1.332 117.351 118.700 -0.027 0.000 2.747 154 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 154 N C -1.064 174.372 175.510 -0.123 0.000 1.107 154 N CA 0.340 53.350 53.050 -0.067 0.000 0.707 154 N CB -1.291 37.155 38.487 -0.069 0.000 1.054 154 N HN 0.382 nan 8.380 nan 0.000 0.555 155 L N -0.120 121.033 121.223 -0.117 0.000 2.375 155 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 155 L C 0.585 177.413 176.870 -0.069 0.000 1.058 155 L CA -0.642 54.121 54.840 -0.127 0.000 0.803 155 L CB 0.969 42.953 42.059 -0.125 0.000 1.212 155 L HN 0.245 nan 8.230 nan 0.000 0.451 156 H N 1.192 120.165 119.070 -0.162 0.000 2.673 156 H HA 0.401 4.957 4.556 -0.000 0.000 0.293 156 H C -1.140 174.143 175.328 -0.076 0.000 1.065 156 H CA -0.671 55.296 56.048 -0.135 0.000 1.236 156 H CB 1.496 31.282 29.762 0.039 0.000 1.389 156 H HN 0.180 nan 8.280 nan 0.000 0.481 157 V N 2.948 122.793 119.914 -0.115 0.000 2.409 157 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 157 V C 0.040 176.212 176.094 0.129 0.000 1.020 157 V CA -0.713 61.584 62.300 -0.005 0.000 0.848 157 V CB 1.360 33.128 31.823 -0.092 0.000 0.990 157 V HN 0.796 nan 8.190 nan 0.000 0.430 158 A N 6.949 129.904 122.820 0.224 0.000 2.290 158 A HA 0.892 5.212 4.320 -0.000 0.000 0.310 158 A C -0.368 177.393 177.584 0.296 0.000 1.202 158 A CA -0.505 51.695 52.037 0.272 0.000 0.837 158 A CB 0.678 19.784 19.000 0.177 0.000 1.139 158 A HN 0.813 nan 8.150 nan 0.000 0.509 159 M N 3.023 122.842 119.600 0.365 0.000 2.190 159 M HA 0.427 4.907 4.480 -0.000 0.000 0.312 159 M C -1.228 175.271 176.300 0.332 0.000 0.990 159 M CA -0.533 54.995 55.300 0.381 0.000 0.927 159 M CB 1.947 34.813 32.600 0.443 0.000 1.571 159 M HN 0.340 nan 8.290 nan 0.000 0.427 160 V N 2.466 122.531 119.914 0.251 0.000 2.540 160 V HA 0.960 5.080 4.120 -0.000 0.000 0.302 160 V C 0.436 176.618 176.094 0.146 0.000 1.035 160 V CA 0.153 62.588 62.300 0.225 0.000 0.873 160 V CB 1.437 33.383 31.823 0.205 0.000 0.992 160 V HN 1.147 nan 8.190 nan 0.000 0.428 161 G N 4.564 113.411 108.800 0.078 0.000 2.254 161 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.193 161 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.193 161 G C -1.075 173.775 174.900 -0.084 0.000 1.233 161 G CA 0.046 45.141 45.100 -0.008 0.000 1.290 161 G HN 0.787 nan 8.290 nan 0.000 0.517 162 D N 1.279 121.657 120.400 -0.037 0.000 2.441 162 D HA 0.611 5.251 4.640 -0.000 0.000 0.231 162 D C 1.272 177.544 176.300 -0.048 0.000 1.073 162 D CA -0.545 53.434 54.000 -0.034 0.000 0.850 162 D CB 0.742 41.569 40.800 0.044 0.000 1.062 162 D HN 0.345 nan 8.370 nan 0.000 0.524 163 L N 3.167 124.337 121.223 -0.088 0.000 2.590 163 L HA 0.201 4.540 4.340 -0.000 0.000 0.227 163 L C 2.132 178.937 176.870 -0.109 0.000 1.099 163 L CA -0.042 54.727 54.840 -0.118 0.000 0.872 163 L CB 0.152 42.125 42.059 -0.144 0.000 1.088 163 L HN 0.328 nan 8.230 nan 0.000 0.479 164 K N 0.286 120.591 120.400 -0.158 0.000 2.076 164 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 164 K C 1.157 177.615 176.600 -0.237 0.000 1.051 164 K CA 1.446 57.565 56.287 -0.279 0.000 0.949 164 K CB 0.160 32.305 32.500 -0.592 0.000 0.726 164 K HN 0.152 nan 8.250 nan 0.000 0.443 165 Y N -0.711 119.610 120.300 0.034 0.000 2.531 165 Y HA 0.324 4.873 4.550 -0.000 0.000 0.249 165 Y C 0.626 176.487 175.900 -0.064 0.000 1.168 165 Y CA -0.484 57.641 58.100 0.041 0.000 1.226 165 Y CB 0.950 39.430 38.460 0.034 0.000 1.177 165 Y HN -0.025 nan 8.280 nan 0.000 0.527 166 G N 1.551 110.288 108.800 -0.104 0.000 2.519 166 G HA2 0.069 4.029 3.960 -0.000 0.000 0.306 166 G HA3 0.069 4.029 3.960 -0.000 0.000 0.306 166 G C 1.154 175.821 174.900 -0.388 0.000 0.965 166 G CA -0.408 44.595 45.100 -0.163 0.000 1.291 166 G HN 0.261 nan 8.290 nan 0.000 0.450 167 R N 1.910 122.329 120.500 -0.136 0.000 2.127 167 R HA -0.157 4.182 4.340 -0.000 0.000 0.238 167 R C 2.317 178.613 176.300 -0.008 0.000 1.134 167 R CA 2.198 58.282 56.100 -0.025 0.000 0.975 167 R CB -0.530 29.831 30.300 0.102 0.000 0.865 167 R HN 0.583 nan 8.270 nan 0.000 0.447 168 T N -1.294 113.270 114.554 0.018 0.000 2.857 168 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 168 T C 2.078 176.762 174.700 -0.026 0.000 1.048 168 T CA 1.267 63.400 62.100 0.053 0.000 1.139 168 T CB -0.777 68.172 68.868 0.136 0.000 0.874 168 T HN 0.189 nan 8.240 nan 0.000 0.455 169 V N 0.234 120.102 119.914 -0.078 0.000 2.490 169 V HA -0.179 3.940 4.120 -0.000 0.000 0.250 169 V C 2.303 178.329 176.094 -0.113 0.000 1.061 169 V CA 1.769 63.999 62.300 -0.116 0.000 1.064 169 V CB -1.535 30.244 31.823 -0.074 0.000 0.670 169 V HN 0.638 nan 8.190 nan 0.000 0.461 170 H N 0.874 119.884 119.070 -0.099 0.000 2.395 170 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 170 H C 2.589 177.853 175.328 -0.106 0.000 1.070 170 H CA 1.329 57.285 56.048 -0.153 0.000 1.356 170 H CB 0.012 29.711 29.762 -0.106 0.000 1.401 170 H HN 0.493 nan 8.280 nan 0.000 0.524 171 S N 0.748 116.493 115.700 0.075 0.000 2.387 171 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 171 S C 2.024 176.626 174.600 0.003 0.000 1.026 171 S CA 0.579 58.811 58.200 0.053 0.000 0.972 171 S CB -0.128 63.119 63.200 0.079 0.000 0.814 171 S HN 0.164 nan 8.310 nan 0.000 0.477 172 L N 1.996 123.187 121.223 -0.054 0.000 2.141 172 L HA -0.027 4.312 4.340 -0.000 0.000 0.209 172 L C 2.151 178.995 176.870 -0.043 0.000 1.094 172 L CA 1.579 56.372 54.840 -0.078 0.000 0.763 172 L CB -1.101 40.805 42.059 -0.254 0.000 0.908 172 L HN 0.194 nan 8.230 nan 0.000 0.437 173 T N -1.011 113.479 114.554 -0.108 0.000 2.821 173 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 173 T C 1.807 176.407 174.700 -0.166 0.000 1.046 173 T CA 1.583 63.538 62.100 -0.241 0.000 1.139 173 T CB -0.123 68.538 68.868 -0.345 0.000 0.871 173 T HN 0.461 nan 8.240 nan 0.000 0.454 174 Q N 0.324 120.072 119.800 -0.087 0.000 2.123 174 Q HA 0.073 4.413 4.340 -0.000 0.000 0.199 174 Q C 2.702 178.729 176.000 0.046 0.000 0.966 174 Q CA 1.153 56.938 55.803 -0.029 0.000 0.845 174 Q CB -0.232 28.500 28.738 -0.011 0.000 0.907 174 Q HN 0.548 nan 8.270 nan 0.000 0.439 175 A N 0.909 123.777 122.820 0.079 0.000 1.855 175 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 175 A C 2.009 179.756 177.584 0.272 0.000 1.191 175 A CA 1.014 53.148 52.037 0.161 0.000 0.613 175 A CB -0.697 18.388 19.000 0.142 0.000 0.829 175 A HN 0.293 nan 8.150 nan 0.000 0.442 176 L N -0.708 120.662 121.223 0.245 0.000 2.191 176 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 176 L C 2.808 179.918 176.870 0.400 0.000 1.103 176 L CA 0.799 55.850 54.840 0.351 0.000 0.769 176 L CB -0.383 41.919 42.059 0.405 0.000 0.908 176 L HN 0.459 nan 8.230 nan 0.000 0.438 177 A N -0.489 122.485 122.820 0.258 0.000 2.209 177 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 177 A C 2.137 179.810 177.584 0.147 0.000 1.158 177 A CA 0.788 52.944 52.037 0.197 0.000 0.742 177 A CB -0.230 18.812 19.000 0.071 0.000 0.790 177 A HN 0.293 nan 8.150 nan 0.000 0.472 178 K N -1.378 119.108 120.400 0.144 0.000 2.366 178 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 178 K C -0.466 176.011 176.600 -0.205 0.000 1.044 178 K CA 0.357 56.606 56.287 -0.063 0.000 0.973 178 K CB -0.011 32.386 32.500 -0.172 0.000 0.767 178 K HN 0.501 nan 8.250 nan 0.000 0.475 179 F N 0.664 120.656 119.950 0.070 0.000 2.525 179 F HA 0.214 4.741 4.527 -0.000 0.000 0.346 179 F C 0.648 176.482 175.800 0.058 0.000 1.072 179 F CA -0.957 57.078 58.000 0.058 0.000 1.033 179 F CB 0.810 39.844 39.000 0.057 0.000 1.324 179 F HN -0.197 nan 8.300 nan 0.000 0.491 180 D N -0.362 120.179 120.400 0.234 0.000 2.181 180 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 180 D C 0.664 177.022 176.300 0.096 0.000 1.020 180 D CA 0.453 54.532 54.000 0.131 0.000 0.891 180 D CB 1.680 42.533 40.800 0.088 0.000 1.187 180 D HN 0.778 nan 8.370 nan 0.000 0.443 181 G N 1.981 110.825 108.800 0.073 0.000 2.166 181 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 181 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 181 G C 0.332 175.233 174.900 0.001 0.000 0.986 181 G CA -0.159 44.962 45.100 0.036 0.000 0.683 181 G HN 0.496 nan 8.290 nan 0.000 0.527 182 N N 0.104 118.801 118.700 -0.005 0.000 2.482 182 N HA 0.422 5.162 4.740 -0.000 0.000 0.260 182 N C 0.382 175.732 175.510 -0.268 0.000 1.236 182 N CA 0.149 53.095 53.050 -0.174 0.000 0.938 182 N CB 0.625 38.957 38.487 -0.259 0.000 1.128 182 N HN 0.358 nan 8.380 nan 0.000 0.448 183 R N 1.143 121.356 120.500 -0.480 0.000 2.480 183 R HA 0.392 4.732 4.340 -0.000 0.000 0.306 183 R C -1.061 174.670 176.300 -0.948 0.000 0.958 183 R CA -0.558 55.218 56.100 -0.540 0.000 0.861 183 R CB 0.894 30.914 30.300 -0.466 0.000 1.171 183 R HN 0.388 nan 8.270 nan 0.000 0.445 184 F N 2.774 122.459 119.950 -0.443 0.000 2.443 184 F HA 0.406 4.933 4.527 -0.000 0.000 0.335 184 F C -0.481 174.848 175.800 -0.785 0.000 1.104 184 F CA -0.621 57.051 58.000 -0.547 0.000 1.013 184 F CB 1.197 39.934 39.000 -0.439 0.000 1.136 184 F HN 0.347 nan 8.300 nan 0.000 0.470 185 Y N 2.891 123.025 120.300 -0.277 0.000 2.326 185 Y HA 0.496 5.046 4.550 -0.000 0.000 0.331 185 Y C -0.959 174.844 175.900 -0.162 0.000 0.962 185 Y CA -1.276 56.723 58.100 -0.167 0.000 1.167 185 Y CB 0.784 39.206 38.460 -0.062 0.000 1.148 185 Y HN 0.300 nan 8.280 nan 0.000 0.463 186 F N 4.114 124.320 119.950 0.427 0.000 2.420 186 F HA 0.602 5.129 4.527 -0.000 0.000 0.342 186 F C -0.187 175.777 175.800 0.272 0.000 1.113 186 F CA -1.650 56.521 58.000 0.284 0.000 1.059 186 F CB 1.021 40.139 39.000 0.196 0.000 1.128 186 F HN 0.249 nan 8.300 nan 0.000 0.475 187 I N 3.158 123.974 120.570 0.411 0.000 2.493 187 I HA 0.621 4.791 4.170 -0.000 0.000 0.279 187 I C -0.594 175.706 176.117 0.305 0.000 1.045 187 I CA -0.163 61.369 61.300 0.387 0.000 1.106 187 I CB 1.059 39.281 38.000 0.370 0.000 1.216 187 I HN 0.708 nan 8.210 nan 0.000 0.459 188 A N 6.609 129.509 122.820 0.133 0.000 2.498 188 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 188 A C -2.882 174.445 177.584 -0.428 0.000 1.075 188 A CA -1.692 50.210 52.037 -0.224 0.000 0.714 188 A CB 1.325 20.259 19.000 -0.110 0.000 1.299 188 A HN 0.318 nan 8.150 nan 0.000 0.407 189 P HA 0.105 nan 4.420 nan 0.000 0.269 189 P C 0.009 177.216 177.300 -0.156 0.000 1.217 189 P CA -0.096 62.773 63.100 -0.385 0.000 0.783 189 P CB 0.558 32.041 31.700 -0.361 0.000 0.898 190 D N 1.379 121.744 120.400 -0.057 0.000 2.144 190 D HA -0.155 4.484 4.640 -0.000 0.000 0.199 190 D C 1.629 177.907 176.300 -0.037 0.000 0.984 190 D CA 1.572 55.558 54.000 -0.023 0.000 0.834 190 D CB -0.169 40.636 40.800 0.008 0.000 0.955 190 D HN 0.392 nan 8.370 nan 0.000 0.465 191 A N 0.378 123.176 122.820 -0.035 0.000 2.119 191 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 191 A C 1.892 179.449 177.584 -0.046 0.000 1.153 191 A CA 0.528 52.554 52.037 -0.019 0.000 0.692 191 A CB -0.164 18.846 19.000 0.017 0.000 0.799 191 A HN 0.177 nan 8.150 nan 0.000 0.458 192 L N -0.414 120.756 121.223 -0.088 0.000 3.110 192 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 192 L C 0.862 177.640 176.870 -0.153 0.000 1.257 192 L CA -0.482 54.288 54.840 -0.117 0.000 1.038 192 L CB 0.244 42.247 42.059 -0.092 0.000 1.395 192 L HN 0.304 nan 8.230 nan 0.000 0.566 193 A N 0.609 123.344 122.820 -0.143 0.000 2.507 193 A HA 0.182 4.502 4.320 -0.000 0.000 0.235 193 A C 0.172 177.630 177.584 -0.210 0.000 1.070 193 A CA -0.176 51.775 52.037 -0.144 0.000 0.768 193 A CB 0.140 19.077 19.000 -0.106 0.000 1.011 193 A HN 0.298 nan 8.150 nan 0.000 0.502 194 M N 3.949 123.379 119.600 -0.283 0.000 2.227 194 M HA 0.264 4.744 4.480 -0.000 0.000 0.349 194 M C -1.917 174.135 176.300 -0.413 0.000 1.443 194 M CA -1.849 53.192 55.300 -0.432 0.000 1.110 194 M CB 0.219 32.324 32.600 -0.825 0.000 1.773 194 M HN 0.471 nan 8.290 nan 0.000 0.463 195 P HA -0.079 nan 4.420 nan 0.000 0.265 195 P C -0.315 176.748 177.300 -0.395 0.000 1.187 195 P CA 0.141 63.031 63.100 -0.349 0.000 0.766 195 P CB 0.581 32.088 31.700 -0.321 0.000 0.820 196 Q N 2.821 122.489 119.800 -0.221 0.000 2.173 196 Q HA -0.233 4.107 4.340 -0.000 0.000 0.208 196 Q C 2.030 177.935 176.000 -0.158 0.000 0.989 196 Q CA 2.209 57.912 55.803 -0.168 0.000 0.872 196 Q CB -1.209 27.490 28.738 -0.064 0.000 0.909 196 Q HN 0.680 nan 8.270 nan 0.000 0.420 197 Y N -2.222 117.955 120.300 -0.204 0.000 2.421 197 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 197 Y C 1.583 177.356 175.900 -0.212 0.000 1.136 197 Y CA 0.497 58.490 58.100 -0.179 0.000 1.255 197 Y CB -0.346 38.013 38.460 -0.167 0.000 0.991 197 Y HN 0.047 nan 8.280 nan 0.000 0.552 198 I N 0.895 121.021 120.570 -0.740 0.000 2.235 198 I HA -0.199 3.970 4.170 -0.000 0.000 0.241 198 I C 2.446 178.268 176.117 -0.492 0.000 1.085 198 I CA 1.016 61.915 61.300 -0.669 0.000 1.378 198 I CB -1.035 36.476 38.000 -0.815 0.000 1.076 198 I HN 0.368 nan 8.210 nan 0.000 0.415 199 L N 0.293 121.189 121.223 -0.545 0.000 2.079 199 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 199 L C 2.169 178.911 176.870 -0.213 0.000 1.081 199 L CA 1.478 55.979 54.840 -0.566 0.000 0.752 199 L CB -0.837 40.843 42.059 -0.632 0.000 0.896 199 L HN 0.232 nan 8.230 nan 0.000 0.433 200 D N -0.404 119.916 120.400 -0.134 0.000 2.117 200 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 200 D C 2.175 178.465 176.300 -0.016 0.000 0.982 200 D CA 0.977 54.963 54.000 -0.023 0.000 0.828 200 D CB -0.132 40.661 40.800 -0.012 0.000 0.967 200 D HN 0.149 nan 8.370 nan 0.000 0.464 201 M N 0.422 119.984 119.600 -0.063 0.000 2.080 201 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 201 M C 2.017 178.304 176.300 -0.021 0.000 1.068 201 M CA 1.193 56.467 55.300 -0.043 0.000 1.109 201 M CB -0.470 32.084 32.600 -0.076 0.000 1.342 201 M HN 0.026 nan 8.290 nan 0.000 0.405 202 L N -0.024 121.165 121.223 -0.056 0.000 2.012 202 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 202 L C 2.184 179.151 176.870 0.162 0.000 1.073 202 L CA 1.478 56.340 54.840 0.036 0.000 0.748 202 L CB -1.146 40.897 42.059 -0.027 0.000 0.891 202 L HN 0.263 nan 8.230 nan 0.000 0.431 203 D N -0.163 120.363 120.400 0.210 0.000 2.092 203 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 203 D C 2.077 178.451 176.300 0.123 0.000 0.994 203 D CA 1.201 55.333 54.000 0.220 0.000 0.828 203 D CB -0.251 40.675 40.800 0.210 0.000 0.963 203 D HN 0.312 nan 8.370 nan 0.000 0.450 204 E N 1.101 121.351 120.200 0.084 0.000 2.160 204 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 204 E C 1.156 177.789 176.600 0.055 0.000 0.991 204 E CA 1.012 57.446 56.400 0.056 0.000 0.810 204 E CB 0.055 29.778 29.700 0.039 0.000 0.742 204 E HN 0.187 nan 8.360 nan 0.000 0.466 205 K N -0.997 119.442 120.400 0.064 0.000 2.444 205 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 205 K C 0.872 177.518 176.600 0.077 0.000 1.024 205 K CA 0.479 56.804 56.287 0.063 0.000 1.077 205 K CB 0.325 32.863 32.500 0.064 0.000 0.833 205 K HN 0.287 nan 8.250 nan 0.000 0.517 206 G N 1.613 110.466 108.800 0.089 0.000 2.147 206 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 206 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 206 G C 0.013 174.977 174.900 0.106 0.000 1.005 206 G CA -0.159 44.990 45.100 0.081 0.000 0.713 206 G HN 0.245 nan 8.290 nan 0.000 0.515 207 I N 1.052 121.720 120.570 0.164 0.000 2.385 207 I HA 0.576 4.746 4.170 -0.000 0.000 0.294 207 I C 0.936 177.218 176.117 0.275 0.000 0.988 207 I CA -0.495 60.934 61.300 0.215 0.000 1.265 207 I CB 1.716 39.886 38.000 0.284 0.000 1.388 207 I HN 0.258 nan 8.210 nan 0.000 0.480 208 A N 8.130 131.050 122.820 0.166 0.000 2.366 208 A HA 0.543 4.862 4.320 -0.000 0.000 0.272 208 A C -0.721 176.935 177.584 0.120 0.000 1.135 208 A CA -0.303 51.759 52.037 0.042 0.000 0.804 208 A CB 0.254 19.215 19.000 -0.065 0.000 1.064 208 A HN 0.823 nan 8.150 nan 0.000 0.499 209 W N 0.818 122.100 121.300 -0.031 0.000 3.047 209 W HA 0.752 5.411 4.660 -0.000 0.000 0.341 209 W C -0.768 175.702 176.519 -0.083 0.000 1.225 209 W CA -0.479 56.798 57.345 -0.114 0.000 1.150 209 W CB 0.821 30.281 29.460 -0.000 0.000 1.470 209 W HN 1.190 nan 8.180 nan 0.000 0.578 210 S N 0.708 116.414 115.700 0.010 0.000 2.547 210 S HA 0.633 5.103 4.470 -0.000 0.000 0.270 210 S C -1.711 173.018 174.600 0.216 0.000 1.150 210 S CA -0.877 57.317 58.200 -0.009 0.000 0.850 210 S CB 1.869 65.093 63.200 0.040 0.000 1.118 210 S HN 0.380 nan 8.310 nan 0.000 0.461 211 L N 2.953 124.257 121.223 0.135 0.000 2.343 211 L HA 0.639 4.979 4.340 -0.000 0.000 0.275 211 L C 0.368 177.139 176.870 -0.165 0.000 1.056 211 L CA 0.202 55.149 54.840 0.178 0.000 0.804 211 L CB 0.458 42.646 42.059 0.215 0.000 1.203 211 L HN 0.848 nan 8.230 nan 0.000 0.440 212 H N 0.159 119.339 119.070 0.184 0.000 2.946 212 H HA 0.319 4.875 4.556 -0.000 0.000 0.365 212 H C 0.178 175.590 175.328 0.139 0.000 1.197 212 H CA -0.190 55.925 56.048 0.113 0.000 1.131 212 H CB 2.191 31.980 29.762 0.046 0.000 1.849 212 H HN 0.568 nan 8.280 nan 0.000 0.555 213 S N -0.188 115.623 115.700 0.184 0.000 2.497 213 S HA 0.082 4.551 4.470 -0.000 0.000 0.218 213 S C 0.640 175.264 174.600 0.040 0.000 1.023 213 S CA 0.088 58.383 58.200 0.158 0.000 0.913 213 S CB 0.295 63.554 63.200 0.098 0.000 0.800 213 S HN 0.540 nan 8.310 nan 0.000 0.505 214 S N 0.034 115.738 115.700 0.007 0.000 2.595 214 S HA 0.640 5.110 4.470 -0.000 0.000 0.281 214 S C 0.518 175.078 174.600 -0.066 0.000 1.117 214 S CA -0.965 57.168 58.200 -0.112 0.000 0.873 214 S CB 0.788 63.911 63.200 -0.129 0.000 1.108 214 S HN 0.119 nan 8.310 nan 0.000 0.477 215 I N 0.843 121.351 120.570 -0.103 0.000 2.493 215 I HA -0.079 4.091 4.170 -0.000 0.000 0.254 215 I C 2.615 178.649 176.117 -0.138 0.000 1.160 215 I CA 1.147 62.385 61.300 -0.103 0.000 1.445 215 I CB -0.313 37.635 38.000 -0.087 0.000 1.086 215 I HN 0.829 nan 8.210 nan 0.000 0.433 216 E N 1.242 121.369 120.200 -0.122 0.000 2.204 216 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 216 E C 1.900 178.423 176.600 -0.128 0.000 0.990 216 E CA 0.897 57.228 56.400 -0.115 0.000 0.821 216 E CB 0.085 29.732 29.700 -0.089 0.000 0.750 216 E HN 0.532 nan 8.360 nan 0.000 0.477 217 E N -0.522 119.599 120.200 -0.131 0.000 2.265 217 E HA -0.127 4.222 4.350 -0.000 0.000 0.196 217 E C 1.403 177.817 176.600 -0.310 0.000 0.996 217 E CA 0.690 57.000 56.400 -0.151 0.000 0.832 217 E CB 0.470 30.133 29.700 -0.062 0.000 0.756 217 E HN 0.070 nan 8.360 nan 0.000 0.491 218 V N -0.081 119.599 119.914 -0.391 0.000 3.382 218 V HA -0.003 4.116 4.120 -0.000 0.000 0.296 218 V C 1.067 176.922 176.094 -0.398 0.000 1.529 218 V CA 0.033 61.995 62.300 -0.564 0.000 1.048 218 V CB 0.541 31.756 31.823 -1.014 0.000 0.878 218 V HN 0.146 nan 8.190 nan 0.000 0.442 219 M N 1.869 121.317 119.600 -0.255 0.000 2.113 219 M HA -0.210 4.270 4.480 -0.000 0.000 0.255 219 M C 2.114 178.323 176.300 -0.152 0.000 1.073 219 M CA 2.818 58.010 55.300 -0.181 0.000 1.091 219 M CB -0.915 31.598 32.600 -0.146 0.000 1.309 219 M HN 0.384 nan 8.290 nan 0.000 0.407 220 A N -1.457 121.281 122.820 -0.136 0.000 1.958 220 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 220 A C 2.044 179.595 177.584 -0.056 0.000 1.178 220 A CA 2.293 54.278 52.037 -0.087 0.000 0.642 220 A CB -0.783 18.171 19.000 -0.078 0.000 0.816 220 A HN 0.627 nan 8.150 nan 0.000 0.453 221 E N -1.599 118.556 120.200 -0.074 0.000 2.481 221 E HA 0.261 4.611 4.350 -0.000 0.000 0.198 221 E C -0.295 176.408 176.600 0.171 0.000 1.027 221 E CA -0.153 56.282 56.400 0.059 0.000 0.900 221 E CB 0.449 30.153 29.700 0.006 0.000 0.993 221 E HN 0.221 nan 8.360 nan 0.000 0.482 222 V N 1.338 121.270 119.914 0.030 0.000 2.509 222 V HA 0.069 4.189 4.120 -0.000 0.000 0.284 222 V C 0.375 176.496 176.094 0.045 0.000 1.047 222 V CA -0.042 62.295 62.300 0.063 0.000 0.952 222 V CB 1.640 33.429 31.823 -0.056 0.000 0.988 222 V HN 0.159 nan 8.190 nan 0.000 0.469 223 D N 3.334 123.773 120.400 0.066 0.000 2.490 223 D HA 0.214 4.853 4.640 -0.000 0.000 0.244 223 D C 0.120 176.423 176.300 0.004 0.000 0.979 223 D CA 0.806 54.809 54.000 0.005 0.000 0.924 223 D CB 0.703 41.491 40.800 -0.021 0.000 1.075 223 D HN 0.225 nan 8.370 nan 0.000 0.488 224 I N 2.034 122.628 120.570 0.040 0.000 2.436 224 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 224 I C -0.850 175.337 176.117 0.117 0.000 1.010 224 I CA -0.846 60.497 61.300 0.072 0.000 1.098 224 I CB 2.276 40.327 38.000 0.084 0.000 1.266 224 I HN -0.113 nan 8.210 nan 0.000 0.434 225 L N 8.905 130.202 121.223 0.124 0.000 2.295 225 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 225 L C -1.623 175.362 176.870 0.191 0.000 1.018 225 L CA -0.473 54.449 54.840 0.135 0.000 0.841 225 L CB 0.941 43.040 42.059 0.067 0.000 1.218 225 L HN 0.421 nan 8.230 nan 0.000 0.424 226 Y N 6.077 126.435 120.300 0.097 0.000 2.342 226 Y HA 0.623 5.173 4.550 -0.000 0.000 0.338 226 Y C -0.409 175.519 175.900 0.047 0.000 0.965 226 Y CA -0.759 57.389 58.100 0.079 0.000 1.159 226 Y CB 1.054 39.569 38.460 0.092 0.000 1.157 226 Y HN 0.569 nan 8.280 nan 0.000 0.486 227 M N 4.562 124.056 119.600 -0.176 0.000 2.409 227 M HA 0.406 4.886 4.480 -0.000 0.000 0.329 227 M C -0.373 175.674 176.300 -0.423 0.000 1.180 227 M CA -0.266 54.947 55.300 -0.146 0.000 1.053 227 M CB 1.648 34.234 32.600 -0.023 0.000 1.586 227 M HN 0.586 nan 8.290 nan 0.000 0.461 228 T N 1.030 115.439 114.554 -0.243 0.000 2.906 228 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 228 T C -0.594 174.067 174.700 -0.065 0.000 1.075 228 T CA -0.902 61.031 62.100 -0.279 0.000 1.005 228 T CB 2.087 70.905 68.868 -0.083 0.000 1.136 228 T HN 0.702 nan 8.240 nan 0.000 0.498 229 R N 0.915 121.432 120.500 0.029 0.000 2.340 229 R HA 0.646 4.986 4.340 -0.000 0.000 0.300 229 R C -0.700 175.673 176.300 0.123 0.000 1.069 229 R CA -0.635 55.560 56.100 0.158 0.000 0.984 229 R CB 0.232 30.650 30.300 0.196 0.000 1.003 229 R HN 0.256 nan 8.270 nan 0.000 0.459 230 V N 3.979 123.986 119.914 0.155 0.000 2.614 230 V HA 0.029 4.148 4.120 -0.000 0.000 0.291 230 V C 0.300 176.543 176.094 0.248 0.000 1.049 230 V CA -0.290 62.120 62.300 0.183 0.000 1.038 230 V CB 1.170 33.099 31.823 0.176 0.000 0.980 230 V HN 0.786 nan 8.190 nan 0.000 0.481 231 Q N 3.754 123.659 119.800 0.175 0.000 2.314 231 Q HA 0.192 4.532 4.340 -0.000 0.000 0.257 231 Q C 0.854 176.898 176.000 0.073 0.000 0.975 231 Q CA -0.578 55.281 55.803 0.093 0.000 0.933 231 Q CB 0.641 29.406 28.738 0.045 0.000 1.195 231 Q HN 0.757 nan 8.270 nan 0.000 0.426 232 K N 1.807 122.141 120.400 -0.111 0.000 2.520 232 K HA -0.214 4.105 4.320 -0.000 0.000 0.197 232 K C 0.920 177.413 176.600 -0.177 0.000 1.043 232 K CA 1.512 57.549 56.287 -0.417 0.000 0.944 232 K CB 0.209 32.221 32.500 -0.814 0.000 0.770 232 K HN 0.596 nan 8.250 nan 0.000 0.480 233 E N 0.065 120.218 120.200 -0.079 0.000 2.526 233 E HA 0.067 4.417 4.350 -0.000 0.000 0.208 233 E C 0.800 177.385 176.600 -0.026 0.000 0.997 233 E CA -0.199 56.171 56.400 -0.051 0.000 0.961 233 E CB 0.209 29.871 29.700 -0.063 0.000 1.030 233 E HN 0.116 nan 8.360 nan 0.000 0.483 234 R N 0.774 121.277 120.500 0.006 0.000 2.299 234 R HA 0.359 4.699 4.340 -0.000 0.000 0.197 234 R C 0.781 177.131 176.300 0.084 0.000 0.971 234 R CA 0.288 56.398 56.100 0.016 0.000 1.030 234 R CB 0.006 30.343 30.300 0.060 0.000 0.932 234 R HN 0.236 nan 8.270 nan 0.000 0.477 235 L N 0.523 121.805 121.223 0.099 0.000 2.303 235 L HA 0.320 4.660 4.340 -0.000 0.000 0.256 235 L C -0.012 176.910 176.870 0.086 0.000 1.034 235 L CA -1.196 53.713 54.840 0.115 0.000 0.832 235 L CB 2.150 44.318 42.059 0.181 0.000 1.403 235 L HN 0.021 nan 8.230 nan 0.000 0.419 236 D N 0.433 120.880 120.400 0.079 0.000 2.387 236 D HA 0.188 4.828 4.640 -0.000 0.000 0.251 236 D C -2.134 174.210 176.300 0.074 0.000 1.141 236 D CA -1.504 52.527 54.000 0.053 0.000 0.987 236 D CB 1.874 42.699 40.800 0.041 0.000 1.116 236 D HN 0.213 nan 8.370 nan 0.000 0.491 237 P HA -0.170 nan 4.420 nan 0.000 0.216 237 P C 1.290 178.653 177.300 0.104 0.000 1.150 237 P CA 1.193 64.324 63.100 0.052 0.000 0.843 237 P CB 0.066 31.773 31.700 0.013 0.000 0.787 238 S N -0.378 115.370 115.700 0.080 0.000 2.461 238 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 238 S C 2.009 176.665 174.600 0.093 0.000 1.005 238 S CA 0.703 58.950 58.200 0.079 0.000 0.942 238 S CB -0.453 62.779 63.200 0.053 0.000 0.776 238 S HN 0.345 nan 8.310 nan 0.000 0.514 239 E N 0.129 120.393 120.200 0.107 0.000 2.086 239 E HA -0.105 4.244 4.350 -0.000 0.000 0.190 239 E C 1.769 178.444 176.600 0.126 0.000 0.975 239 E CA 0.471 56.931 56.400 0.100 0.000 0.813 239 E CB -0.170 29.585 29.700 0.092 0.000 0.768 239 E HN 0.566 nan 8.360 nan 0.000 0.457 240 Y N 1.118 121.441 120.300 0.038 0.000 2.053 240 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 240 Y C 2.118 178.052 175.900 0.057 0.000 1.159 240 Y CA 2.322 60.449 58.100 0.044 0.000 1.125 240 Y CB -0.543 37.938 38.460 0.035 0.000 0.969 240 Y HN 0.132 nan 8.280 nan 0.000 0.492 241 A N 0.240 123.200 122.820 0.234 0.000 1.858 241 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 241 A C 1.261 178.885 177.584 0.067 0.000 1.190 241 A CA 1.413 53.532 52.037 0.137 0.000 0.617 241 A CB -1.009 18.077 19.000 0.143 0.000 0.827 241 A HN 0.508 nan 8.150 nan 0.000 0.443 242 N N 0.202 118.944 118.700 0.070 0.000 2.406 242 N HA 0.210 4.950 4.740 -0.000 0.000 0.269 242 N C 0.568 176.107 175.510 0.049 0.000 1.210 242 N CA 0.815 53.897 53.050 0.053 0.000 0.966 242 N CB 0.298 38.816 38.487 0.051 0.000 1.293 242 N HN 0.329 nan 8.380 nan 0.000 0.491 243 V N 2.478 122.418 119.914 0.043 0.000 1.645 243 V HA -0.435 3.685 4.120 -0.000 0.000 0.045 243 V C 1.690 177.840 176.094 0.093 0.000 0.716 243 V CA 2.386 64.715 62.300 0.049 0.000 1.625 243 V CB -0.865 30.986 31.823 0.047 0.000 1.729 243 V HN 0.782 nan 8.190 nan 0.000 0.794 244 K N -0.666 119.785 120.400 0.085 0.000 2.365 244 K HA 0.274 4.593 4.320 -0.000 0.000 0.197 244 K C 1.817 178.488 176.600 0.119 0.000 1.042 244 K CA 0.801 57.175 56.287 0.144 0.000 0.987 244 K CB -0.079 32.429 32.500 0.013 0.000 0.779 244 K HN 0.681 nan 8.250 nan 0.000 0.484 245 A N 1.190 123.982 122.820 -0.046 0.000 2.259 245 A HA -0.107 4.213 4.320 -0.000 0.000 0.212 245 A C 0.888 178.482 177.584 0.018 0.000 1.178 245 A CA 0.887 52.847 52.037 -0.128 0.000 0.734 245 A CB -0.085 18.834 19.000 -0.135 0.000 0.774 245 A HN 0.133 nan 8.150 nan 0.000 0.481 246 Q N -0.499 119.332 119.800 0.052 0.000 2.642 246 Q HA 0.261 4.600 4.340 -0.000 0.000 0.319 246 Q C -1.113 174.630 176.000 -0.429 0.000 1.030 246 Q CA 0.172 55.888 55.803 -0.145 0.000 0.943 246 Q CB -0.920 27.687 28.738 -0.218 0.000 1.323 246 Q HN 0.603 nan 8.270 nan 0.000 0.419 247 F N -0.160 119.756 119.950 -0.056 0.000 2.542 247 F HA 0.283 4.810 4.527 -0.000 0.000 0.323 247 F C -0.127 175.656 175.800 -0.028 0.000 1.411 247 F CA -0.874 57.107 58.000 -0.031 0.000 1.124 247 F CB 1.182 40.164 39.000 -0.030 0.000 1.331 247 F HN -0.147 nan 8.300 nan 0.000 0.560 248 V N 2.686 122.610 119.914 0.018 0.000 2.531 248 V HA 0.678 4.797 4.120 -0.000 0.000 0.301 248 V C -1.552 174.532 176.094 -0.016 0.000 1.034 248 V CA -0.837 61.471 62.300 0.013 0.000 0.865 248 V CB 1.933 33.757 31.823 0.002 0.000 0.995 248 V HN 0.274 nan 8.190 nan 0.000 0.424 249 L N 7.716 128.937 121.223 -0.003 0.000 2.322 249 L HA 0.780 5.119 4.340 -0.000 0.000 0.279 249 L C 0.048 176.913 176.870 -0.010 0.000 1.036 249 L CA 0.166 54.998 54.840 -0.013 0.000 0.807 249 L CB 1.380 43.442 42.059 0.005 0.000 1.226 249 L HN 0.832 nan 8.230 nan 0.000 0.433 250 R N 2.941 123.429 120.500 -0.021 0.000 2.855 250 R HA 0.643 4.983 4.340 -0.000 0.000 0.266 250 R C 0.467 176.756 176.300 -0.018 0.000 1.034 250 R CA -0.378 55.717 56.100 -0.010 0.000 0.944 250 R CB 1.146 31.434 30.300 -0.019 0.000 1.219 250 R HN 0.685 nan 8.270 nan 0.000 0.474 251 A N 0.724 123.547 122.820 0.005 0.000 1.902 251 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 251 A C 1.978 179.511 177.584 -0.086 0.000 1.181 251 A CA 2.195 54.237 52.037 0.009 0.000 0.623 251 A CB -0.788 18.244 19.000 0.053 0.000 0.818 251 A HN 0.790 nan 8.150 nan 0.000 0.443 252 S N 0.725 116.359 115.700 -0.110 0.000 2.383 252 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 252 S C 1.251 175.483 174.600 -0.613 0.000 1.030 252 S CA 1.451 59.481 58.200 -0.284 0.000 1.002 252 S CB -0.623 62.537 63.200 -0.067 0.000 0.829 252 S HN 0.582 nan 8.310 nan 0.000 0.467 253 D N 1.742 121.952 120.400 -0.316 0.000 2.310 253 D HA 0.049 4.689 4.640 -0.000 0.000 0.212 253 D C 1.591 177.719 176.300 -0.288 0.000 0.965 253 D CA 0.574 54.409 54.000 -0.274 0.000 0.879 253 D CB -0.290 40.417 40.800 -0.155 0.000 0.921 253 D HN 0.432 nan 8.370 nan 0.000 0.510 254 L N 0.486 121.536 121.223 -0.289 0.000 2.552 254 L HA -0.054 4.286 4.340 -0.000 0.000 0.227 254 L C 2.032 178.847 176.870 -0.092 0.000 1.146 254 L CA 0.183 54.916 54.840 -0.179 0.000 0.858 254 L CB -0.327 41.692 42.059 -0.066 0.000 0.969 254 L HN 0.035 nan 8.230 nan 0.000 0.451 255 H N 1.133 120.200 119.070 -0.005 0.000 2.289 255 H HA -0.181 4.375 4.556 -0.000 0.000 0.294 255 H C 1.361 176.689 175.328 -0.001 0.000 1.095 255 H CA 1.624 57.676 56.048 0.008 0.000 1.256 255 H CB -0.597 29.164 29.762 -0.001 0.000 1.359 255 H HN 0.559 nan 8.280 nan 0.000 0.487 256 N N 1.139 119.906 118.700 0.111 0.000 2.375 256 N HA 0.260 5.000 4.740 -0.000 0.000 0.220 256 N C 0.129 175.633 175.510 -0.009 0.000 1.170 256 N CA 0.123 53.199 53.050 0.044 0.000 0.833 256 N CB 0.650 39.146 38.487 0.015 0.000 1.069 256 N HN 0.114 nan 8.380 nan 0.000 0.479 257 A N 1.390 124.188 122.820 -0.036 0.000 2.340 257 A HA 0.241 4.561 4.320 -0.000 0.000 0.268 257 A C 0.554 178.118 177.584 -0.033 0.000 1.100 257 A CA -0.603 51.361 52.037 -0.122 0.000 0.803 257 A CB 0.868 19.653 19.000 -0.359 0.000 1.043 257 A HN 0.157 nan 8.150 nan 0.000 0.488 258 K N 0.952 121.331 120.400 -0.034 0.000 2.344 258 K HA 0.169 4.489 4.320 -0.000 0.000 0.260 258 K C 1.288 177.940 176.600 0.085 0.000 0.988 258 K CA 0.407 56.700 56.287 0.011 0.000 0.909 258 K CB 0.333 32.827 32.500 -0.011 0.000 0.968 258 K HN 0.722 nan 8.250 nan 0.000 0.505 259 A N 1.880 124.738 122.820 0.064 0.000 2.067 259 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 259 A C 1.524 179.135 177.584 0.045 0.000 1.158 259 A CA 1.892 53.970 52.037 0.068 0.000 0.661 259 A CB -0.671 18.334 19.000 0.008 0.000 0.801 259 A HN 0.885 nan 8.150 nan 0.000 0.452 260 N N -1.744 116.965 118.700 0.016 0.000 2.280 260 N HA 0.098 4.838 4.740 -0.000 0.000 0.192 260 N C 0.613 176.108 175.510 -0.024 0.000 1.109 260 N CA -0.091 52.935 53.050 -0.039 0.000 0.855 260 N CB -0.160 38.284 38.487 -0.073 0.000 0.974 260 N HN 0.294 nan 8.380 nan 0.000 0.482 261 M N 1.371 120.998 119.600 0.043 0.000 2.245 261 M HA 0.182 4.661 4.480 -0.000 0.000 0.344 261 M C -0.862 175.461 176.300 0.039 0.000 1.170 261 M CA 0.439 55.731 55.300 -0.013 0.000 1.135 261 M CB 0.464 32.986 32.600 -0.130 0.000 1.574 261 M HN 0.004 nan 8.290 nan 0.000 0.452 262 K N 3.708 124.102 120.400 -0.009 0.000 2.375 262 K HA 0.595 4.915 4.320 -0.000 0.000 0.249 262 K C -1.475 175.179 176.600 0.090 0.000 0.942 262 K CA -0.689 55.610 56.287 0.019 0.000 0.806 262 K CB 2.153 34.592 32.500 -0.102 0.000 1.227 262 K HN 0.538 nan 8.250 nan 0.000 0.430 263 V N 3.604 123.618 119.914 0.166 0.000 2.370 263 V HA 0.399 4.519 4.120 -0.000 0.000 0.283 263 V C -0.430 175.831 176.094 0.278 0.000 1.023 263 V CA -0.893 61.528 62.300 0.202 0.000 0.857 263 V CB 1.192 33.165 31.823 0.250 0.000 0.985 263 V HN 0.473 nan 8.190 nan 0.000 0.443 264 L N 4.459 125.795 121.223 0.188 0.000 2.342 264 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 264 L C -0.377 176.406 176.870 -0.145 0.000 1.008 264 L CA -0.236 54.673 54.840 0.115 0.000 0.818 264 L CB 1.664 43.816 42.059 0.155 0.000 1.296 264 L HN 0.692 nan 8.230 nan 0.000 0.427 265 H N 3.786 122.699 119.070 -0.262 0.000 3.188 265 H HA 0.236 4.792 4.556 -0.000 0.000 0.325 265 H C -2.438 172.756 175.328 -0.224 0.000 1.033 265 H CA -1.104 54.729 56.048 -0.358 0.000 1.443 265 H CB 2.799 32.363 29.762 -0.330 0.000 1.968 265 H HN 0.351 nan 8.280 nan 0.000 0.449 266 P HA -0.086 nan 4.420 nan 0.000 0.223 266 P C 0.072 177.479 177.300 0.178 0.000 1.144 266 P CA 0.552 63.682 63.100 0.049 0.000 0.783 266 P CB 0.926 32.649 31.700 0.037 0.000 0.771 267 L N -3.699 117.765 121.223 0.401 0.000 0.585 267 L HA -0.130 4.210 4.340 -0.000 0.000 0.356 267 L C -2.232 174.729 176.870 0.153 0.000 0.973 267 L CA -0.923 54.036 54.840 0.198 0.000 1.223 267 L CB -2.185 39.933 42.059 0.099 0.000 0.012 267 L HN -0.009 nan 8.230 nan 0.000 0.091 268 P HA 0.176 nan 4.420 nan 0.000 0.271 268 P C -0.960 176.293 177.300 -0.079 0.000 1.216 268 P CA -0.257 62.848 63.100 0.009 0.000 0.771 268 P CB 0.595 32.310 31.700 0.026 0.000 0.864 269 R N 3.168 123.479 120.500 -0.314 0.000 2.349 269 R HA 0.287 4.627 4.340 -0.000 0.000 0.299 269 R C -0.720 175.477 176.300 -0.172 0.000 1.027 269 R CA -0.201 55.610 56.100 -0.482 0.000 0.958 269 R CB 0.719 30.529 30.300 -0.816 0.000 1.047 269 R HN 0.292 nan 8.270 nan 0.000 0.468 270 V N 3.220 123.088 119.914 -0.076 0.000 3.001 270 V HA 0.040 4.160 4.120 -0.000 0.000 0.228 270 V C 1.069 177.162 176.094 -0.002 0.000 1.204 270 V CA 1.118 63.406 62.300 -0.021 0.000 1.247 270 V CB -0.163 31.671 31.823 0.017 0.000 1.093 270 V HN 0.778 nan 8.190 nan 0.000 0.504 271 D N -0.313 120.112 120.400 0.041 0.000 2.431 271 D HA -0.051 4.589 4.640 -0.000 0.000 0.235 271 D C 2.007 178.326 176.300 0.032 0.000 0.980 271 D CA 0.571 54.607 54.000 0.059 0.000 0.912 271 D CB 0.211 41.094 40.800 0.137 0.000 1.056 271 D HN 0.445 nan 8.370 nan 0.000 0.494 272 E N 0.734 120.959 120.200 0.041 0.000 2.396 272 E HA -0.142 4.208 4.350 -0.000 0.000 0.200 272 E C 0.252 176.851 176.600 -0.003 0.000 1.023 272 E CA 0.748 57.172 56.400 0.040 0.000 0.857 272 E CB 0.109 29.864 29.700 0.091 0.000 0.775 272 E HN 0.401 nan 8.360 nan 0.000 0.525 273 I N 1.220 121.751 120.570 -0.064 0.000 2.468 273 I HA 0.324 4.493 4.170 -0.000 0.000 0.284 273 I C -0.375 175.709 176.117 -0.055 0.000 1.038 273 I CA -1.015 60.235 61.300 -0.083 0.000 1.083 273 I CB 1.840 39.694 38.000 -0.243 0.000 1.223 273 I HN -0.059 nan 8.210 nan 0.000 0.443 274 A N 4.029 126.846 122.820 -0.006 0.000 2.462 274 A HA 0.206 4.525 4.320 -0.000 0.000 0.243 274 A C 1.407 179.019 177.584 0.045 0.000 1.076 274 A CA 0.111 52.158 52.037 0.016 0.000 0.773 274 A CB 0.241 19.255 19.000 0.023 0.000 1.010 274 A HN 0.825 nan 8.150 nan 0.000 0.493 275 T N 1.104 115.690 114.554 0.053 0.000 2.755 275 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 275 T C 1.394 176.156 174.700 0.103 0.000 1.041 275 T CA 2.381 64.534 62.100 0.088 0.000 1.147 275 T CB -0.406 68.503 68.868 0.068 0.000 0.847 275 T HN 0.951 nan 8.240 nan 0.000 0.478 276 D N 0.573 121.021 120.400 0.082 0.000 2.347 276 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 276 D C 1.837 178.195 176.300 0.096 0.000 0.976 276 D CA 0.245 54.293 54.000 0.080 0.000 0.884 276 D CB -0.592 40.244 40.800 0.060 0.000 0.915 276 D HN 0.313 nan 8.370 nan 0.000 0.526 277 V N 1.234 121.220 119.914 0.120 0.000 2.427 277 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 277 V C 1.715 177.912 176.094 0.171 0.000 1.051 277 V CA 1.889 64.281 62.300 0.153 0.000 1.048 277 V CB -0.572 31.363 31.823 0.187 0.000 0.666 277 V HN 0.070 nan 8.190 nan 0.000 0.456 278 D N 0.445 120.966 120.400 0.202 0.000 2.191 278 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 278 D C 1.972 178.323 176.300 0.085 0.000 1.003 278 D CA 1.228 55.319 54.000 0.151 0.000 0.867 278 D CB -0.251 40.677 40.800 0.213 0.000 0.926 278 D HN 0.395 nan 8.370 nan 0.000 0.450 279 K N 0.046 120.496 120.400 0.083 0.000 2.487 279 K HA 0.078 4.398 4.320 -0.000 0.000 0.192 279 K C 0.597 177.227 176.600 0.049 0.000 1.027 279 K CA 0.202 56.524 56.287 0.059 0.000 1.054 279 K CB 0.157 32.690 32.500 0.055 0.000 0.824 279 K HN 0.119 nan 8.250 nan 0.000 0.510 280 T N 2.736 117.328 114.554 0.062 0.000 2.882 280 T HA 0.098 4.448 4.350 -0.000 0.000 0.287 280 T C -1.480 173.226 174.700 0.009 0.000 1.014 280 T CA -1.284 60.847 62.100 0.053 0.000 1.049 280 T CB 1.369 70.314 68.868 0.128 0.000 1.001 280 T HN 0.013 nan 8.240 nan 0.000 0.525 281 P HA -0.073 nan 4.420 nan 0.000 0.228 281 P C 0.458 177.714 177.300 -0.074 0.000 1.151 281 P CA 1.216 64.253 63.100 -0.104 0.000 0.770 281 P CB 0.023 31.590 31.700 -0.222 0.000 0.786 282 H N -0.366 118.743 119.070 0.066 0.000 2.563 282 H HA 0.348 4.904 4.556 -0.000 0.000 0.264 282 H C 0.958 176.344 175.328 0.097 0.000 0.957 282 H CA -0.053 56.022 56.048 0.045 0.000 1.173 282 H CB -0.031 29.747 29.762 0.027 0.000 1.420 282 H HN 0.079 nan 8.280 nan 0.000 0.551 283 A N 0.887 123.802 122.820 0.157 0.000 2.438 283 A HA -0.036 4.284 4.320 -0.000 0.000 0.280 283 A C -0.009 177.508 177.584 -0.111 0.000 1.160 283 A CA -0.126 51.845 52.037 -0.110 0.000 0.821 283 A CB -0.412 18.392 19.000 -0.327 0.000 1.101 283 A HN 0.749 nan 8.150 nan 0.000 0.515 284 W N 3.747 124.834 121.300 -0.354 0.000 2.599 284 W HA 0.128 4.787 4.660 -0.000 0.000 0.396 284 W C -0.027 176.370 176.519 -0.204 0.000 0.944 284 W CA -0.166 57.045 57.345 -0.225 0.000 2.042 284 W CB 0.359 29.784 29.460 -0.059 0.000 1.184 284 W HN 1.080 nan 8.180 nan 0.000 0.604 285 Y N -1.873 118.370 120.300 -0.095 0.000 2.293 285 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 285 Y C 1.644 177.374 175.900 -0.284 0.000 1.137 285 Y CA 0.882 58.846 58.100 -0.226 0.000 1.202 285 Y CB -1.500 36.724 38.460 -0.394 0.000 0.990 285 Y HN -0.202 nan 8.280 nan 0.000 0.537 286 F N 0.316 120.231 119.950 -0.057 0.000 2.473 286 F HA 0.024 4.551 4.527 -0.000 0.000 0.294 286 F C 1.940 177.646 175.800 -0.156 0.000 1.103 286 F CA 0.343 58.306 58.000 -0.061 0.000 1.442 286 F CB -0.660 38.280 39.000 -0.100 0.000 1.097 286 F HN 0.011 nan 8.300 nan 0.000 0.547 287 Q N -0.057 119.613 119.800 -0.216 0.000 2.311 287 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 287 Q C 2.150 178.087 176.000 -0.105 0.000 0.954 287 Q CA 0.720 56.311 55.803 -0.353 0.000 0.885 287 Q CB -0.290 27.788 28.738 -1.100 0.000 0.963 287 Q HN 0.492 nan 8.270 nan 0.000 0.471 288 Q N 0.317 120.118 119.800 0.003 0.000 1.990 288 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 288 Q C 1.953 178.036 176.000 0.139 0.000 0.980 288 Q CA 1.436 57.335 55.803 0.159 0.000 0.832 288 Q CB -0.222 28.631 28.738 0.192 0.000 0.897 288 Q HN 0.399 nan 8.270 nan 0.000 0.427 289 A N 0.677 123.567 122.820 0.117 0.000 1.927 289 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 289 A C 2.266 179.881 177.584 0.052 0.000 1.185 289 A CA 1.958 54.053 52.037 0.097 0.000 0.639 289 A CB -1.475 17.608 19.000 0.139 0.000 0.820 289 A HN 0.649 nan 8.150 nan 0.000 0.451 290 G N -0.403 108.430 108.800 0.054 0.000 2.422 290 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 290 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 290 G C 1.301 176.225 174.900 0.041 0.000 1.146 290 G CA 0.992 46.105 45.100 0.022 0.000 0.769 290 G HN 0.545 nan 8.290 nan 0.000 0.547 291 N N 1.181 119.999 118.700 0.196 0.000 2.443 291 N HA -0.061 4.678 4.740 -0.000 0.000 0.184 291 N C 2.262 177.842 175.510 0.117 0.000 1.037 291 N CA 0.978 54.252 53.050 0.373 0.000 0.896 291 N CB -0.561 38.263 38.487 0.562 0.000 0.959 291 N HN 0.309 nan 8.380 nan 0.000 0.442 292 G N 1.315 110.118 108.800 0.005 0.000 2.450 292 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 292 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 292 G C 1.406 176.162 174.900 -0.241 0.000 1.130 292 G CA 0.313 45.352 45.100 -0.102 0.000 0.760 292 G HN 0.205 nan 8.290 nan 0.000 0.557 293 I N 0.168 120.523 120.570 -0.360 0.000 2.286 293 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 293 I C 2.387 178.148 176.117 -0.592 0.000 1.115 293 I CA 0.895 61.884 61.300 -0.519 0.000 1.392 293 I CB -1.100 36.458 38.000 -0.737 0.000 1.065 293 I HN 0.093 nan 8.210 nan 0.000 0.418 294 F N 1.055 120.935 119.950 -0.117 0.000 2.219 294 F HA 0.098 4.625 4.527 -0.000 0.000 0.294 294 F C 2.645 178.268 175.800 -0.295 0.000 1.086 294 F CA 0.868 58.752 58.000 -0.193 0.000 1.330 294 F CB -1.303 37.553 39.000 -0.239 0.000 1.047 294 F HN -0.034 nan 8.300 nan 0.000 0.495 295 A N 0.116 122.795 122.820 -0.235 0.000 1.917 295 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 295 A C 2.251 179.740 177.584 -0.158 0.000 1.182 295 A CA 2.107 54.006 52.037 -0.231 0.000 0.633 295 A CB -0.690 18.211 19.000 -0.164 0.000 0.819 295 A HN 0.257 nan 8.150 nan 0.000 0.448 296 R N -0.571 119.804 120.500 -0.209 0.000 2.062 296 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 296 R C 2.470 178.718 176.300 -0.086 0.000 1.128 296 R CA 1.662 57.615 56.100 -0.244 0.000 0.960 296 R CB -0.385 29.621 30.300 -0.490 0.000 0.855 296 R HN 0.708 nan 8.270 nan 0.000 0.432 297 Q N -0.671 119.081 119.800 -0.080 0.000 2.096 297 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 297 Q C 2.084 178.096 176.000 0.020 0.000 0.982 297 Q CA 1.651 57.450 55.803 -0.007 0.000 0.850 297 Q CB -0.216 28.527 28.738 0.009 0.000 0.901 297 Q HN 0.403 nan 8.270 nan 0.000 0.422 298 A N 0.714 123.534 122.820 0.000 0.000 1.940 298 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 298 A C 2.018 179.620 177.584 0.031 0.000 1.176 298 A CA 1.154 53.197 52.037 0.011 0.000 0.631 298 A CB -0.504 18.480 19.000 -0.027 0.000 0.814 298 A HN 0.272 nan 8.150 nan 0.000 0.446 299 L N -0.549 120.695 121.223 0.034 0.000 2.056 299 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 299 L C 2.369 179.288 176.870 0.082 0.000 1.078 299 L CA 1.417 56.297 54.840 0.065 0.000 0.749 299 L CB -0.477 41.635 42.059 0.087 0.000 0.901 299 L HN 0.397 nan 8.230 nan 0.000 0.433 300 L N -1.571 119.708 121.223 0.094 0.000 2.156 300 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 300 L C 2.543 179.458 176.870 0.075 0.000 1.095 300 L CA 0.918 55.813 54.840 0.092 0.000 0.770 300 L CB -0.705 41.417 42.059 0.105 0.000 0.914 300 L HN 0.276 nan 8.230 nan 0.000 0.439 301 A N 0.325 123.186 122.820 0.068 0.000 1.855 301 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 301 A C 2.201 179.836 177.584 0.084 0.000 1.191 301 A CA 1.211 53.289 52.037 0.068 0.000 0.613 301 A CB -0.669 18.366 19.000 0.057 0.000 0.829 301 A HN 0.326 nan 8.150 nan 0.000 0.442 302 L N -0.593 120.678 121.223 0.080 0.000 2.131 302 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 302 L C 2.404 179.350 176.870 0.127 0.000 1.092 302 L CA 0.801 55.699 54.840 0.098 0.000 0.759 302 L CB -0.446 41.659 42.059 0.077 0.000 0.903 302 L HN 0.241 nan 8.230 nan 0.000 0.435 303 V N -0.266 119.697 119.914 0.083 0.000 2.488 303 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 303 V C 2.075 178.176 176.094 0.011 0.000 1.046 303 V CA 1.271 63.582 62.300 0.018 0.000 1.053 303 V CB 0.063 31.886 31.823 0.001 0.000 0.679 303 V HN 0.342 nan 8.190 nan 0.000 0.458 304 L N -0.609 120.672 121.223 0.097 0.000 2.477 304 L HA 0.172 4.512 4.340 -0.000 0.000 0.220 304 L C 0.308 177.354 176.870 0.293 0.000 1.106 304 L CA 0.268 55.195 54.840 0.145 0.000 0.851 304 L CB -0.098 42.017 42.059 0.094 0.000 0.994 304 L HN 0.282 nan 8.230 nan 0.000 0.462 305 N N -0.147 118.718 118.700 0.276 0.000 2.444 305 N HA 0.215 4.955 4.740 -0.000 0.000 0.262 305 N C 0.767 176.286 175.510 0.015 0.000 0.974 305 N CA -0.267 52.880 53.050 0.162 0.000 0.933 305 N CB 1.124 39.655 38.487 0.073 0.000 1.137 305 N HN -0.076 nan 8.380 nan 0.000 0.498 306 R N 0.753 120.962 120.500 -0.485 0.000 2.113 306 R HA -0.092 4.248 4.340 -0.000 0.000 0.244 306 R C -0.408 175.712 176.300 -0.300 0.000 1.142 306 R CA 1.384 56.990 56.100 -0.823 0.000 0.953 306 R CB -0.016 29.881 30.300 -0.671 0.000 0.860 306 R HN 0.628 nan 8.270 nan 0.000 0.438 307 D N -0.836 119.468 120.400 -0.160 0.000 2.671 307 D HA 0.289 4.928 4.640 -0.000 0.000 0.232 307 D C -1.236 175.044 176.300 -0.033 0.000 1.114 307 D CA -0.566 53.387 54.000 -0.078 0.000 0.858 307 D CB 2.383 43.140 40.800 -0.071 0.000 1.544 307 D HN -0.133 nan 8.370 nan 0.000 0.471 308 L N 1.319 122.536 121.223 -0.010 0.000 2.322 308 L HA 0.288 4.628 4.340 -0.000 0.000 0.281 308 L C -0.516 176.358 176.870 0.006 0.000 1.014 308 L CA -0.750 54.094 54.840 0.007 0.000 0.815 308 L CB 1.967 44.039 42.059 0.022 0.000 1.247 308 L HN 0.155 nan 8.230 nan 0.000 0.421 309 V N 5.640 125.558 119.914 0.008 0.000 2.439 309 V HA 0.380 4.500 4.120 -0.000 0.000 0.271 309 V C -0.033 176.068 176.094 0.013 0.000 1.040 309 V CA -0.196 62.108 62.300 0.008 0.000 1.002 309 V CB 0.142 31.971 31.823 0.009 0.000 1.000 309 V HN 0.630 nan 8.190 nan 0.000 0.477 310 L N 0.000 121.230 121.223 0.012 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.849 54.840 0.014 0.000 0.813 310 L CB 0.000 42.070 42.059 0.018 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502