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 1ofq_1_C DATA FIRST_RESID 3023 DATA SEQUENCE VRILGYDPLA SPALLQVQIP ATPTSLETAK RGRREAIDII TGKDDRVLVI DATA SEQUENCE VGPCSIHDLE AAQEYALRLK KLSDELKGDL SIIMRAYLEK PRXXVGWKGL DATA SEQUENCE INDPDVNNTF NINKGLQSAR QLFVNLTNIG LPIGSEMLDT ISPQYLADLV DATA SEQUENCE SFGAIGARTT ESQLHRELAS GLSFPVGFKN GTDGTLNVAV DACQAAAHSH DATA SEQUENCE HFMGVTXHGV AAITTTKGNE HCFVILRGGK KGTNYDAKSV AEAKAQLPAG DATA SEQUENCE SNGLMIDYSH GNSNKDFRNQ PKVNDVVCEQ IANGENAITG VMIESNINEG DATA SEQUENCE NQGIPAEGKA GLKYGVSITD ACIGWETTED VLRKLAAAVR QRREVNK 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 3023 V HA 0.000 nan 4.120 nan 0.000 0.244 3023 V C 0.000 176.074 176.094 -0.033 0.000 1.182 3023 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 3023 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 3024 R N 0.572 121.050 120.500 -0.036 0.000 2.397 3024 R HA 0.514 4.854 4.340 0.000 0.000 0.241 3024 R C -0.198 176.061 176.300 -0.069 0.000 0.914 3024 R CA -0.100 55.974 56.100 -0.044 0.000 1.071 3024 R CB 0.940 31.221 30.300 -0.032 0.000 1.116 3024 R HN 0.341 nan 8.270 nan 0.000 0.524 3025 I N 2.132 122.648 120.570 -0.090 0.000 2.307 3025 I HA 0.099 4.269 4.170 0.000 0.000 0.289 3025 I C 1.305 177.310 176.117 -0.188 0.000 1.021 3025 I CA -0.212 60.992 61.300 -0.161 0.000 1.224 3025 I CB 1.465 39.349 38.000 -0.193 0.000 1.376 3025 I HN 0.062 nan 8.210 nan 0.000 0.470 3026 L N 5.426 126.534 121.223 -0.191 0.000 2.240 3026 L HA 0.226 4.566 4.340 0.000 0.000 0.211 3026 L C 1.093 177.839 176.870 -0.206 0.000 1.106 3026 L CA 0.367 55.110 54.840 -0.162 0.000 0.793 3026 L CB -0.222 41.761 42.059 -0.126 0.000 0.927 3026 L HN 0.789 nan 8.230 nan 0.000 0.446 3027 G N -1.810 106.786 108.800 -0.340 0.000 2.316 3027 G HA2 0.311 4.271 3.960 0.000 0.000 0.296 3027 G HA3 0.311 4.271 3.960 0.000 0.000 0.296 3027 G C -2.122 172.465 174.900 -0.521 0.000 1.399 3027 G CA -0.728 44.151 45.100 -0.369 0.000 0.833 3027 G HN -0.149 nan 8.290 nan 0.000 0.565 3028 Y N 0.226 120.512 120.300 -0.023 0.000 2.361 3028 Y HA 0.538 5.088 4.550 0.000 0.000 0.337 3028 Y C -0.651 175.239 175.900 -0.017 0.000 0.965 3028 Y CA -0.819 57.269 58.100 -0.021 0.000 1.091 3028 Y CB 2.547 40.998 38.460 -0.014 0.000 1.182 3028 Y HN 0.356 nan 8.280 nan 0.000 0.450 3029 D N 4.402 124.884 120.400 0.137 0.000 2.185 3029 D HA 0.311 4.951 4.640 0.000 0.000 0.247 3029 D C -2.273 174.070 176.300 0.073 0.000 1.027 3029 D CA -1.448 52.597 54.000 0.075 0.000 0.861 3029 D CB 1.105 41.926 40.800 0.035 0.000 1.202 3029 D HN 0.280 nan 8.370 nan 0.000 0.453 3030 P HA 0.134 nan 4.420 nan 0.000 0.266 3030 P C -0.994 176.330 177.300 0.039 0.000 1.195 3030 P CA -0.450 62.676 63.100 0.043 0.000 0.768 3030 P CB 0.718 32.439 31.700 0.035 0.000 0.838 3031 L N 2.638 123.888 121.223 0.044 0.000 2.376 3031 L HA 0.620 4.960 4.340 0.000 0.000 0.275 3031 L C -0.286 176.631 176.870 0.079 0.000 0.987 3031 L CA -0.772 54.100 54.840 0.052 0.000 0.828 3031 L CB 1.576 43.675 42.059 0.067 0.000 1.249 3031 L HN 0.572 nan 8.230 nan 0.000 0.409 3032 A N 3.396 126.263 122.820 0.078 0.000 2.477 3032 A HA 0.493 4.813 4.320 0.000 0.000 0.246 3032 A C 0.517 178.233 177.584 0.220 0.000 1.078 3032 A CA 0.366 52.470 52.037 0.111 0.000 0.770 3032 A CB -0.175 18.877 19.000 0.087 0.000 1.011 3032 A HN 0.958 nan 8.150 nan 0.000 0.494 3033 S N 2.636 118.436 115.700 0.166 0.000 2.593 3033 S HA 0.317 4.787 4.470 0.000 0.000 0.269 3033 S C -1.944 172.731 174.600 0.124 0.000 1.334 3033 S CA -0.687 57.591 58.200 0.129 0.000 1.015 3033 S CB 0.511 63.752 63.200 0.067 0.000 0.912 3033 S HN 0.444 nan 8.310 nan 0.000 0.541 3034 P HA -0.050 nan 4.420 nan 0.000 0.215 3034 P C 1.720 178.983 177.300 -0.062 0.000 1.157 3034 P CA 1.986 64.879 63.100 -0.346 0.000 0.868 3034 P CB -0.292 30.999 31.700 -0.681 0.000 0.788 3035 A N -0.591 122.194 122.820 -0.059 0.000 1.917 3035 A HA -0.229 4.091 4.320 0.000 0.000 0.219 3035 A C 2.152 179.767 177.584 0.052 0.000 1.182 3035 A CA 1.805 53.847 52.037 0.010 0.000 0.633 3035 A CB -1.728 17.325 19.000 0.087 0.000 0.819 3035 A HN 0.169 nan 8.150 nan 0.000 0.448 3036 L N -0.945 120.321 121.223 0.071 0.000 2.056 3036 L HA -0.059 4.281 4.340 0.000 0.000 0.207 3036 L C 2.162 179.080 176.870 0.080 0.000 1.078 3036 L CA 1.498 56.382 54.840 0.073 0.000 0.749 3036 L CB -0.529 41.577 42.059 0.078 0.000 0.901 3036 L HN 0.320 nan 8.230 nan 0.000 0.433 3037 L N -0.305 120.988 121.223 0.117 0.000 2.046 3037 L HA -0.215 4.125 4.340 0.000 0.000 0.208 3037 L C 2.495 179.419 176.870 0.090 0.000 1.077 3037 L CA 1.792 56.706 54.840 0.124 0.000 0.747 3037 L CB -1.087 41.112 42.059 0.234 0.000 0.896 3037 L HN 0.526 nan 8.230 nan 0.000 0.432 3038 Q N -1.448 118.399 119.800 0.078 0.000 2.226 3038 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 3038 Q C 2.134 178.162 176.000 0.048 0.000 0.975 3038 Q CA 1.211 57.049 55.803 0.058 0.000 0.866 3038 Q CB -0.020 28.741 28.738 0.037 0.000 0.915 3038 Q HN 0.386 nan 8.270 nan 0.000 0.440 3039 V N 0.974 120.916 119.914 0.047 0.000 2.446 3039 V HA -0.209 3.911 4.120 0.000 0.000 0.244 3039 V C 2.055 178.172 176.094 0.038 0.000 1.039 3039 V CA 1.548 63.872 62.300 0.040 0.000 1.045 3039 V CB -0.305 31.541 31.823 0.039 0.000 0.681 3039 V HN 0.358 nan 8.190 nan 0.000 0.459 3040 Q N -0.154 119.671 119.800 0.041 0.000 2.123 3040 Q HA 0.063 4.403 4.340 0.000 0.000 0.199 3040 Q C 0.642 176.662 176.000 0.033 0.000 0.966 3040 Q CA 1.086 56.910 55.803 0.035 0.000 0.845 3040 Q CB 0.154 28.913 28.738 0.034 0.000 0.907 3040 Q HN 0.501 nan 8.270 nan 0.000 0.439 3041 I N 2.651 123.245 120.570 0.039 0.000 2.697 3041 I HA 0.250 4.420 4.170 0.000 0.000 0.279 3041 I C -2.357 173.788 176.117 0.046 0.000 1.171 3041 I CA -2.140 59.183 61.300 0.039 0.000 1.135 3041 I CB 1.118 39.140 38.000 0.037 0.000 1.445 3041 I HN -0.100 nan 8.210 nan 0.000 0.541 3042 P HA 0.146 nan 4.420 nan 0.000 0.271 3042 P C -0.369 176.959 177.300 0.047 0.000 1.218 3042 P CA -0.191 62.934 63.100 0.043 0.000 0.780 3042 P CB 1.447 33.168 31.700 0.035 0.000 0.901 3043 A N 2.894 125.744 122.820 0.050 0.000 2.309 3043 A HA 0.459 4.779 4.320 0.000 0.000 0.290 3043 A C 0.902 178.511 177.584 0.042 0.000 1.206 3043 A CA -0.286 51.783 52.037 0.054 0.000 0.850 3043 A CB -0.497 18.540 19.000 0.062 0.000 1.118 3043 A HN 0.633 nan 8.150 nan 0.000 0.523 3044 T N 1.376 115.953 114.554 0.039 0.000 2.900 3044 T HA 0.286 4.636 4.350 0.000 0.000 0.307 3044 T C -1.734 172.983 174.700 0.029 0.000 1.065 3044 T CA -0.992 61.127 62.100 0.031 0.000 1.105 3044 T CB 0.478 69.362 68.868 0.027 0.000 0.979 3044 T HN 0.334 nan 8.240 nan 0.000 0.544 3045 P HA -0.108 nan 4.420 nan 0.000 0.216 3045 P C 1.680 178.993 177.300 0.022 0.000 1.150 3045 P CA 1.248 64.362 63.100 0.023 0.000 0.843 3045 P CB -0.228 31.483 31.700 0.019 0.000 0.787 3046 T N -1.069 113.497 114.554 0.019 0.000 2.684 3046 T HA -0.131 4.219 4.350 0.000 0.000 0.267 3046 T C 1.975 176.687 174.700 0.018 0.000 1.036 3046 T CA 1.829 63.939 62.100 0.017 0.000 1.148 3046 T CB -0.937 67.939 68.868 0.014 0.000 0.863 3046 T HN 0.107 nan 8.240 nan 0.000 0.436 3047 S N 1.152 116.867 115.700 0.024 0.000 2.359 3047 S HA -0.062 4.408 4.470 0.000 0.000 0.224 3047 S C 1.954 176.571 174.600 0.028 0.000 1.035 3047 S CA 0.815 59.032 58.200 0.028 0.000 1.018 3047 S CB -0.460 62.765 63.200 0.042 0.000 0.876 3047 S HN 0.153 nan 8.310 nan 0.000 0.448 3048 L N 1.937 123.180 121.223 0.033 0.000 2.046 3048 L HA -0.078 4.262 4.340 0.000 0.000 0.208 3048 L C 2.954 179.842 176.870 0.030 0.000 1.077 3048 L CA 2.284 57.145 54.840 0.036 0.000 0.747 3048 L CB -1.659 40.422 42.059 0.037 0.000 0.896 3048 L HN 0.508 nan 8.230 nan 0.000 0.432 3049 E N -1.306 118.908 120.200 0.024 0.000 2.110 3049 E HA -0.202 4.148 4.350 0.000 0.000 0.193 3049 E C 2.134 178.744 176.600 0.017 0.000 0.988 3049 E CA 1.755 58.168 56.400 0.021 0.000 0.804 3049 E CB -1.339 28.371 29.700 0.017 0.000 0.745 3049 E HN 0.561 nan 8.360 nan 0.000 0.458 3050 T N 0.265 114.827 114.554 0.012 0.000 2.708 3050 T HA 0.044 4.394 4.350 0.000 0.000 0.266 3050 T C 2.403 177.103 174.700 0.001 0.000 1.037 3050 T CA 1.761 63.863 62.100 0.004 0.000 1.146 3050 T CB -0.472 68.395 68.868 -0.002 0.000 0.865 3050 T HN 0.608 nan 8.240 nan 0.000 0.435 3051 A N 1.662 124.484 122.820 0.003 0.000 1.902 3051 A HA -0.036 4.284 4.320 0.000 0.000 0.217 3051 A C 2.577 180.175 177.584 0.023 0.000 1.181 3051 A CA 2.497 54.533 52.037 -0.001 0.000 0.623 3051 A CB -1.139 17.865 19.000 0.007 0.000 0.818 3051 A HN 0.558 nan 8.150 nan 0.000 0.443 3052 K N 0.056 120.477 120.400 0.035 0.000 2.032 3052 K HA -0.132 4.188 4.320 0.000 0.000 0.209 3052 K C 2.232 178.855 176.600 0.037 0.000 1.048 3052 K CA 1.811 58.127 56.287 0.047 0.000 0.927 3052 K CB -0.712 31.814 32.500 0.043 0.000 0.712 3052 K HN 0.609 nan 8.250 nan 0.000 0.441 3053 R N -0.372 120.142 120.500 0.023 0.000 2.081 3053 R HA -0.073 4.267 4.340 0.000 0.000 0.235 3053 R C 2.712 179.020 176.300 0.012 0.000 1.131 3053 R CA 1.589 57.698 56.100 0.015 0.000 0.960 3053 R CB -0.862 29.442 30.300 0.007 0.000 0.856 3053 R HN 0.504 nan 8.270 nan 0.000 0.436 3054 G N 0.494 109.299 108.800 0.009 0.000 2.442 3054 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 3054 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 3054 G C 1.362 176.279 174.900 0.029 0.000 1.141 3054 G CA 0.747 45.851 45.100 0.006 0.000 0.763 3054 G HN 0.331 nan 8.290 nan 0.000 0.554 3055 R N -0.032 120.498 120.500 0.051 0.000 2.070 3055 R HA 0.017 4.357 4.340 0.000 0.000 0.233 3055 R C 2.834 179.157 176.300 0.038 0.000 1.137 3055 R CA 1.209 57.360 56.100 0.085 0.000 0.945 3055 R CB -0.363 30.014 30.300 0.129 0.000 0.845 3055 R HN 0.254 nan 8.270 nan 0.000 0.430 3056 R N 0.985 121.500 120.500 0.025 0.000 2.096 3056 R HA -0.185 4.155 4.340 0.000 0.000 0.240 3056 R C 2.222 178.511 176.300 -0.019 0.000 1.139 3056 R CA 1.858 57.959 56.100 0.001 0.000 0.952 3056 R CB -0.338 29.969 30.300 0.010 0.000 0.854 3056 R HN 0.448 nan 8.270 nan 0.000 0.436 3057 E N 0.400 120.593 120.200 -0.012 0.000 2.077 3057 E HA -0.164 4.186 4.350 0.000 0.000 0.193 3057 E C 2.069 178.648 176.600 -0.036 0.000 0.989 3057 E CA 1.119 57.505 56.400 -0.023 0.000 0.800 3057 E CB -0.128 29.560 29.700 -0.020 0.000 0.746 3057 E HN 0.373 nan 8.360 nan 0.000 0.452 3058 A N 1.386 124.194 122.820 -0.021 0.000 1.898 3058 A HA -0.144 4.176 4.320 0.000 0.000 0.216 3058 A C 2.195 179.741 177.584 -0.063 0.000 1.181 3058 A CA 0.917 52.942 52.037 -0.020 0.000 0.620 3058 A CB -0.529 18.514 19.000 0.072 0.000 0.819 3058 A HN 0.108 nan 8.150 nan 0.000 0.442 3059 I N 0.060 120.566 120.570 -0.106 0.000 2.142 3059 I HA -0.260 3.910 4.170 0.000 0.000 0.240 3059 I C 1.851 177.879 176.117 -0.149 0.000 1.078 3059 I CA 1.648 62.795 61.300 -0.255 0.000 1.343 3059 I CB -0.516 37.249 38.000 -0.393 0.000 1.046 3059 I HN 0.265 nan 8.210 nan 0.000 0.405 3060 D N 0.792 121.138 120.400 -0.090 0.000 2.182 3060 D HA -0.159 4.481 4.640 0.000 0.000 0.201 3060 D C 2.183 178.455 176.300 -0.047 0.000 0.986 3060 D CA 1.392 55.362 54.000 -0.049 0.000 0.847 3060 D CB -0.102 40.679 40.800 -0.032 0.000 0.942 3060 D HN 0.409 nan 8.370 nan 0.000 0.467 3061 I N 1.036 121.567 120.570 -0.064 0.000 2.277 3061 I HA -0.145 4.025 4.170 0.000 0.000 0.243 3061 I C 2.529 178.595 176.117 -0.085 0.000 1.094 3061 I CA 0.527 61.784 61.300 -0.071 0.000 1.393 3061 I CB -0.236 37.711 38.000 -0.088 0.000 1.078 3061 I HN -0.028 nan 8.210 nan 0.000 0.417 3062 I N -0.601 119.900 120.570 -0.115 0.000 2.614 3062 I HA -0.167 4.003 4.170 0.000 0.000 0.258 3062 I C 2.144 178.248 176.117 -0.022 0.000 1.189 3062 I CA 1.668 62.893 61.300 -0.124 0.000 1.462 3062 I CB -0.867 37.022 38.000 -0.184 0.000 1.092 3062 I HN 0.221 nan 8.210 nan 0.000 0.442 3063 T N -2.381 112.172 114.554 -0.003 0.000 3.107 3063 T HA 0.465 4.815 4.350 0.000 0.000 0.249 3063 T C 1.558 176.271 174.700 0.022 0.000 1.096 3063 T CA 0.299 62.422 62.100 0.039 0.000 1.012 3063 T CB 0.256 69.162 68.868 0.064 0.000 0.977 3063 T HN 0.698 nan 8.240 nan 0.000 0.527 3064 G N 1.972 110.772 108.800 0.000 0.000 2.205 3064 G HA2 -0.316 3.644 3.960 0.000 0.000 0.261 3064 G HA3 -0.316 3.644 3.960 0.000 0.000 0.261 3064 G C 1.084 175.984 174.900 0.001 0.000 0.980 3064 G CA 0.373 45.474 45.100 0.001 0.000 0.632 3064 G HN 0.465 nan 8.290 nan 0.000 0.533 3065 K N 0.516 120.916 120.400 0.001 0.000 2.280 3065 K HA -0.026 4.294 4.320 0.000 0.000 0.202 3065 K C 0.598 177.194 176.600 -0.005 0.000 1.047 3065 K CA 1.092 57.380 56.287 0.002 0.000 0.942 3065 K CB 0.055 32.558 32.500 0.004 0.000 0.739 3065 K HN 0.642 nan 8.250 nan 0.000 0.457 3066 D N 0.576 120.968 120.400 -0.013 0.000 2.619 3066 D HA 0.022 4.662 4.640 0.000 0.000 0.241 3066 D C -0.526 175.762 176.300 -0.020 0.000 1.087 3066 D CA -0.276 53.714 54.000 -0.017 0.000 0.851 3066 D CB 1.746 42.532 40.800 -0.024 0.000 1.474 3066 D HN -0.058 nan 8.370 nan 0.000 0.478 3067 D N 2.079 122.469 120.400 -0.016 0.000 2.340 3067 D HA 0.043 4.683 4.640 0.000 0.000 0.217 3067 D C 0.452 176.740 176.300 -0.020 0.000 1.081 3067 D CA -0.113 53.877 54.000 -0.016 0.000 0.842 3067 D CB 0.254 41.048 40.800 -0.009 0.000 0.934 3067 D HN 0.153 nan 8.370 nan 0.000 0.511 3068 R N -0.095 120.390 120.500 -0.026 0.000 2.649 3068 R HA 0.521 4.861 4.340 0.000 0.000 0.270 3068 R C -0.297 175.978 176.300 -0.042 0.000 1.105 3068 R CA -0.723 55.358 56.100 -0.031 0.000 1.193 3068 R CB 1.203 31.483 30.300 -0.034 0.000 1.120 3068 R HN -0.091 nan 8.270 nan 0.000 0.561 3069 V N 2.138 122.024 119.914 -0.047 0.000 2.532 3069 V HA 0.172 4.292 4.120 0.000 0.000 0.295 3069 V C -0.442 175.599 176.094 -0.087 0.000 1.041 3069 V CA -0.792 61.470 62.300 -0.062 0.000 0.926 3069 V CB 1.640 33.434 31.823 -0.048 0.000 0.992 3069 V HN 0.397 nan 8.190 nan 0.000 0.457 3070 L N 6.628 127.781 121.223 -0.117 0.000 2.281 3070 L HA 0.521 4.861 4.340 0.000 0.000 0.285 3070 L C -0.392 176.372 176.870 -0.177 0.000 1.074 3070 L CA 0.434 55.186 54.840 -0.147 0.000 0.817 3070 L CB 1.169 43.119 42.059 -0.182 0.000 1.168 3070 L HN 0.436 nan 8.230 nan 0.000 0.434 3071 V N 6.688 126.497 119.914 -0.175 0.000 2.409 3071 V HA 0.431 4.551 4.120 0.000 0.000 0.291 3071 V C -0.148 175.813 176.094 -0.222 0.000 1.020 3071 V CA -0.660 61.520 62.300 -0.200 0.000 0.848 3071 V CB 1.508 33.236 31.823 -0.159 0.000 0.990 3071 V HN 0.481 nan 8.190 nan 0.000 0.430 3072 I N 6.207 126.611 120.570 -0.277 0.000 2.307 3072 I HA 0.443 4.613 4.170 0.000 0.000 0.287 3072 I C -0.170 175.831 176.117 -0.193 0.000 1.054 3072 I CA -0.309 60.823 61.300 -0.281 0.000 1.218 3072 I CB 1.059 38.812 38.000 -0.412 0.000 1.398 3072 I HN 0.315 nan 8.210 nan 0.000 0.475 3073 V N 4.355 124.205 119.914 -0.107 0.000 2.604 3073 V HA 1.042 5.162 4.120 0.000 0.000 0.305 3073 V C 0.385 176.506 176.094 0.046 0.000 1.043 3073 V CA -0.503 61.775 62.300 -0.037 0.000 0.888 3073 V CB 1.614 33.454 31.823 0.029 0.000 0.995 3073 V HN 0.980 nan 8.190 nan 0.000 0.429 3074 G N 4.140 112.934 108.800 -0.011 0.000 2.324 3074 G HA2 0.438 4.398 3.960 0.000 0.000 0.293 3074 G HA3 0.438 4.398 3.960 0.000 0.000 0.293 3074 G C -3.616 171.128 174.900 -0.259 0.000 1.297 3074 G CA -0.835 44.182 45.100 -0.138 0.000 0.853 3074 G HN 0.521 nan 8.290 nan 0.000 0.535 3075 P HA 0.220 nan 4.420 nan 0.000 0.269 3075 P C 1.240 178.457 177.300 -0.138 0.000 1.215 3075 P CA -0.169 62.787 63.100 -0.241 0.000 0.780 3075 P CB 1.106 32.666 31.700 -0.233 0.000 0.898 3076 C N 1.799 121.051 119.300 -0.081 0.000 2.413 3076 C HA -0.047 4.413 4.460 0.000 0.000 0.276 3076 C C 0.910 175.950 174.990 0.083 0.000 1.248 3076 C CA 1.807 60.818 59.018 -0.012 0.000 1.742 3076 C CB -1.452 26.313 27.740 0.042 0.000 2.017 3076 C HN 0.751 nan 8.230 nan 0.000 0.481 3077 S N -0.391 115.388 115.700 0.131 0.000 2.547 3077 S HA 0.651 5.121 4.470 0.000 0.000 0.270 3077 S C -1.271 173.481 174.600 0.253 0.000 1.150 3077 S CA -0.795 57.558 58.200 0.255 0.000 0.850 3077 S CB 0.993 64.421 63.200 0.378 0.000 1.118 3077 S HN 0.176 nan 8.310 nan 0.000 0.461 3078 I N 4.191 124.929 120.570 0.280 0.000 2.321 3078 I HA 0.352 4.522 4.170 0.000 0.000 0.291 3078 I C 1.029 177.329 176.117 0.305 0.000 0.998 3078 I CA -0.363 61.052 61.300 0.192 0.000 1.227 3078 I CB 0.574 38.660 38.000 0.142 0.000 1.368 3078 I HN 1.076 nan 8.210 nan 0.000 0.466 3079 H N 2.586 121.691 119.070 0.059 0.000 3.058 3079 H HA 0.307 4.863 4.556 0.000 0.000 0.266 3079 H C -0.745 174.542 175.328 -0.068 0.000 1.135 3079 H CA -0.253 55.766 56.048 -0.047 0.000 1.174 3079 H CB 1.296 30.726 29.762 -0.553 0.000 1.581 3079 H HN 0.476 nan 8.280 nan 0.000 0.553 3080 D N 1.253 121.325 120.400 -0.548 0.000 2.575 3080 D HA 0.178 4.818 4.640 0.000 0.000 0.250 3080 D C 0.940 177.121 176.300 -0.197 0.000 1.279 3080 D CA -0.506 53.258 54.000 -0.394 0.000 0.925 3080 D CB 1.523 41.960 40.800 -0.605 0.000 1.261 3080 D HN 0.098 nan 8.370 nan 0.000 0.567 3081 L N 2.403 123.579 121.223 -0.078 0.000 2.093 3081 L HA -0.129 4.211 4.340 0.000 0.000 0.208 3081 L C 1.731 178.595 176.870 -0.011 0.000 1.085 3081 L CA 0.984 55.812 54.840 -0.021 0.000 0.755 3081 L CB -0.070 41.995 42.059 0.011 0.000 0.904 3081 L HN 0.366 nan 8.230 nan 0.000 0.435 3082 E N 0.692 120.892 120.200 -0.000 0.000 2.031 3082 E HA -0.183 4.167 4.350 0.000 0.000 0.193 3082 E C 2.294 178.931 176.600 0.063 0.000 0.994 3082 E CA 1.499 57.926 56.400 0.046 0.000 0.800 3082 E CB -0.443 29.308 29.700 0.085 0.000 0.752 3082 E HN 0.410 nan 8.360 nan 0.000 0.447 3083 A N 0.887 123.707 122.820 -0.000 0.000 1.972 3083 A HA -0.101 4.219 4.320 0.000 0.000 0.219 3083 A C 2.335 179.858 177.584 -0.101 0.000 1.169 3083 A CA 1.915 53.857 52.037 -0.158 0.000 0.635 3083 A CB -0.799 17.862 19.000 -0.565 0.000 0.810 3083 A HN 0.275 nan 8.150 nan 0.000 0.446 3084 A N -1.186 121.584 122.820 -0.084 0.000 1.930 3084 A HA -0.143 4.177 4.320 0.000 0.000 0.217 3084 A C 2.134 179.749 177.584 0.051 0.000 1.175 3084 A CA 1.965 53.989 52.037 -0.022 0.000 0.627 3084 A CB -0.432 18.558 19.000 -0.016 0.000 0.815 3084 A HN 0.495 nan 8.150 nan 0.000 0.443 3085 Q N 0.015 119.834 119.800 0.032 0.000 2.079 3085 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 3085 Q C 1.935 177.940 176.000 0.007 0.000 0.974 3085 Q CA 2.132 57.951 55.803 0.027 0.000 0.840 3085 Q CB -0.308 28.444 28.738 0.022 0.000 0.898 3085 Q HN 0.790 nan 8.270 nan 0.000 0.430 3086 E N -1.454 118.756 120.200 0.018 0.000 2.077 3086 E HA -0.239 4.111 4.350 0.000 0.000 0.193 3086 E C 1.810 178.347 176.600 -0.105 0.000 0.989 3086 E CA 1.097 57.484 56.400 -0.023 0.000 0.800 3086 E CB -0.361 29.371 29.700 0.054 0.000 0.746 3086 E HN 0.538 nan 8.360 nan 0.000 0.452 3087 Y N 0.744 120.937 120.300 -0.178 0.000 2.145 3087 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 3087 Y C 2.129 177.890 175.900 -0.231 0.000 1.145 3087 Y CA 1.935 59.886 58.100 -0.249 0.000 1.148 3087 Y CB -0.551 37.821 38.460 -0.146 0.000 0.981 3087 Y HN 0.167 nan 8.280 nan 0.000 0.507 3088 A N 0.202 123.033 122.820 0.019 0.000 1.883 3088 A HA -0.207 4.113 4.320 0.000 0.000 0.217 3088 A C 2.078 179.571 177.584 -0.152 0.000 1.186 3088 A CA 1.923 53.943 52.037 -0.028 0.000 0.624 3088 A CB -1.142 17.880 19.000 0.035 0.000 0.822 3088 A HN 0.469 nan 8.150 nan 0.000 0.444 3089 L N -0.229 120.901 121.223 -0.156 0.000 2.079 3089 L HA -0.145 4.195 4.340 0.000 0.000 0.210 3089 L C 2.619 179.339 176.870 -0.250 0.000 1.081 3089 L CA 1.771 56.515 54.840 -0.160 0.000 0.752 3089 L CB -1.160 40.822 42.059 -0.129 0.000 0.896 3089 L HN 0.409 nan 8.230 nan 0.000 0.433 3090 R N -1.299 118.920 120.500 -0.467 0.000 2.066 3090 R HA -0.145 4.195 4.340 0.000 0.000 0.232 3090 R C 2.128 178.177 176.300 -0.418 0.000 1.131 3090 R CA 0.939 56.635 56.100 -0.674 0.000 0.955 3090 R CB -0.571 28.779 30.300 -1.583 0.000 0.851 3090 R HN 0.182 nan 8.270 nan 0.000 0.432 3091 L N 1.678 122.635 121.223 -0.444 0.000 2.083 3091 L HA -0.166 4.174 4.340 0.000 0.000 0.209 3091 L C 2.246 179.113 176.870 -0.006 0.000 1.083 3091 L CA 1.758 56.578 54.840 -0.034 0.000 0.752 3091 L CB -0.381 41.604 42.059 -0.122 0.000 0.899 3091 L HN -0.070 nan 8.230 nan 0.000 0.433 3092 K N 0.405 120.766 120.400 -0.066 0.000 2.002 3092 K HA -0.260 4.060 4.320 0.000 0.000 0.209 3092 K C 2.230 178.821 176.600 -0.015 0.000 1.048 3092 K CA 2.203 58.468 56.287 -0.035 0.000 0.930 3092 K CB -0.416 32.056 32.500 -0.047 0.000 0.714 3092 K HN 0.273 nan 8.250 nan 0.000 0.438 3093 K N 0.197 120.583 120.400 -0.022 0.000 2.032 3093 K HA -0.125 4.195 4.320 0.000 0.000 0.209 3093 K C 2.162 178.784 176.600 0.036 0.000 1.048 3093 K CA 1.749 58.037 56.287 0.002 0.000 0.927 3093 K CB -0.412 32.085 32.500 -0.006 0.000 0.712 3093 K HN 0.281 nan 8.250 nan 0.000 0.441 3094 L N 0.306 121.581 121.223 0.087 0.000 2.275 3094 L HA -0.102 4.238 4.340 0.000 0.000 0.215 3094 L C 1.845 178.737 176.870 0.037 0.000 1.119 3094 L CA 1.084 55.978 54.840 0.091 0.000 0.790 3094 L CB -0.148 42.015 42.059 0.174 0.000 0.919 3094 L HN 0.203 nan 8.230 nan 0.000 0.443 3095 S N -0.145 115.572 115.700 0.028 0.000 2.355 3095 S HA -0.174 4.296 4.470 0.000 0.000 0.222 3095 S C 1.447 176.046 174.600 -0.002 0.000 1.031 3095 S CA 1.399 59.602 58.200 0.004 0.000 0.993 3095 S CB -0.286 62.913 63.200 -0.002 0.000 0.859 3095 S HN 0.529 nan 8.310 nan 0.000 0.453 3096 D N 1.053 121.453 120.400 0.001 0.000 2.178 3096 D HA -0.116 4.524 4.640 0.000 0.000 0.201 3096 D C 1.904 178.202 176.300 -0.002 0.000 0.980 3096 D CA 0.817 54.816 54.000 -0.002 0.000 0.842 3096 D CB -0.281 40.518 40.800 -0.002 0.000 0.948 3096 D HN 0.558 nan 8.370 nan 0.000 0.472 3097 E N 0.019 120.220 120.200 0.003 0.000 2.150 3097 E HA -0.090 4.260 4.350 0.000 0.000 0.193 3097 E C 1.270 177.866 176.600 -0.007 0.000 0.985 3097 E CA 0.586 56.986 56.400 0.000 0.000 0.814 3097 E CB 0.121 29.824 29.700 0.006 0.000 0.752 3097 E HN 0.257 nan 8.360 nan 0.000 0.466 3098 L N 0.202 121.418 121.223 -0.011 0.000 2.857 3098 L HA 0.218 4.558 4.340 0.000 0.000 0.249 3098 L C 1.688 178.546 176.870 -0.019 0.000 1.172 3098 L CA -0.263 54.566 54.840 -0.018 0.000 0.980 3098 L CB 0.259 42.302 42.059 -0.027 0.000 1.299 3098 L HN -0.077 nan 8.230 nan 0.000 0.535 3099 K N 1.182 121.572 120.400 -0.016 0.000 2.160 3099 K HA -0.156 4.164 4.320 0.000 0.000 0.206 3099 K C 2.084 178.674 176.600 -0.018 0.000 1.047 3099 K CA 1.598 57.875 56.287 -0.017 0.000 0.930 3099 K CB -0.244 32.248 32.500 -0.013 0.000 0.720 3099 K HN 0.479 nan 8.250 nan 0.000 0.450 3100 G N 1.246 110.037 108.800 -0.015 0.000 2.448 3100 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 3100 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 3100 G C 0.924 175.814 174.900 -0.017 0.000 1.127 3100 G CA 0.969 46.061 45.100 -0.014 0.000 0.766 3100 G HN 0.285 nan 8.290 nan 0.000 0.552 3101 D N -0.917 119.471 120.400 -0.020 0.000 2.473 3101 D HA 0.210 4.850 4.640 0.000 0.000 0.230 3101 D C 0.678 176.960 176.300 -0.030 0.000 1.097 3101 D CA 0.129 54.116 54.000 -0.022 0.000 0.861 3101 D CB 1.048 41.836 40.800 -0.021 0.000 1.114 3101 D HN 0.231 nan 8.370 nan 0.000 0.500 3102 L N 0.042 121.245 121.223 -0.034 0.000 2.409 3102 L HA 0.410 4.750 4.340 0.000 0.000 0.262 3102 L C -0.432 176.411 176.870 -0.045 0.000 0.992 3102 L CA -0.738 54.075 54.840 -0.045 0.000 0.817 3102 L CB 2.731 44.760 42.059 -0.051 0.000 1.350 3102 L HN -0.278 nan 8.230 nan 0.000 0.411 3103 S N 2.476 118.142 115.700 -0.057 0.000 2.594 3103 S HA 0.618 5.088 4.470 0.000 0.000 0.322 3103 S C -0.626 173.931 174.600 -0.071 0.000 1.085 3103 S CA -0.443 57.724 58.200 -0.056 0.000 1.116 3103 S CB 0.089 63.255 63.200 -0.057 0.000 0.979 3103 S HN 0.413 nan 8.310 nan 0.000 0.465 3104 I N 5.759 126.294 120.570 -0.058 0.000 2.353 3104 I HA 0.460 4.630 4.170 0.000 0.000 0.293 3104 I C -0.317 175.765 176.117 -0.058 0.000 0.992 3104 I CA -0.505 60.758 61.300 -0.062 0.000 1.268 3104 I CB 1.346 39.323 38.000 -0.038 0.000 1.387 3104 I HN 0.488 nan 8.210 nan 0.000 0.478 3105 I N 6.523 127.044 120.570 -0.082 0.000 2.436 3105 I HA 0.337 4.507 4.170 0.000 0.000 0.289 3105 I C -0.105 175.981 176.117 -0.051 0.000 1.010 3105 I CA -0.624 60.632 61.300 -0.074 0.000 1.098 3105 I CB 1.969 39.903 38.000 -0.110 0.000 1.266 3105 I HN 0.577 nan 8.210 nan 0.000 0.434 3106 M N 5.818 125.411 119.600 -0.011 0.000 2.228 3106 M HA 0.232 4.712 4.480 0.000 0.000 0.351 3106 M C 0.182 176.493 176.300 0.019 0.000 1.233 3106 M CA -0.049 55.275 55.300 0.041 0.000 1.129 3106 M CB 0.547 33.195 32.600 0.080 0.000 1.604 3106 M HN 0.496 nan 8.290 nan 0.000 0.457 3107 R N 3.575 124.085 120.500 0.016 0.000 2.288 3107 R HA 0.327 4.667 4.340 0.000 0.000 0.330 3107 R C -0.798 175.549 176.300 0.078 0.000 1.069 3107 R CA 0.073 56.177 56.100 0.007 0.000 0.941 3107 R CB 0.346 30.546 30.300 -0.168 0.000 0.998 3107 R HN 0.769 nan 8.270 nan 0.000 0.452 3108 A N 5.644 128.592 122.820 0.213 0.000 3.218 3108 A HA 0.226 4.546 4.320 0.000 0.000 0.321 3108 A C -1.255 176.596 177.584 0.444 0.000 1.012 3108 A CA -0.521 51.648 52.037 0.219 0.000 0.948 3108 A CB 0.259 19.236 19.000 -0.039 0.000 1.050 3108 A HN 0.575 nan 8.150 nan 0.000 0.492 3109 Y N 0.493 120.877 120.300 0.140 0.000 2.319 3109 Y HA 0.273 4.823 4.550 0.000 0.000 0.328 3109 Y C 1.104 177.099 175.900 0.158 0.000 1.133 3109 Y CA -0.921 57.270 58.100 0.152 0.000 1.265 3109 Y CB 0.922 39.454 38.460 0.119 0.000 1.218 3109 Y HN 0.332 nan 8.280 nan 0.000 0.508 3110 L N 1.414 122.766 121.223 0.215 0.000 2.375 3110 L HA 0.098 4.438 4.340 0.000 0.000 0.215 3110 L C 0.629 177.496 176.870 -0.005 0.000 1.108 3110 L CA 0.834 55.739 54.840 0.109 0.000 0.830 3110 L CB -0.976 41.087 42.059 0.007 0.000 0.959 3110 L HN 0.787 nan 8.230 nan 0.000 0.457 3111 E N -1.155 119.053 120.200 0.013 0.000 2.401 3111 E HA 0.245 4.595 4.350 0.000 0.000 0.280 3111 E C -1.030 175.593 176.600 0.038 0.000 1.039 3111 E CA -0.849 55.495 56.400 -0.093 0.000 0.814 3111 E CB 1.763 31.319 29.700 -0.239 0.000 1.275 3111 E HN -0.090 nan 8.360 nan 0.000 0.448 3112 K N 2.442 122.862 120.400 0.034 0.000 2.240 3112 K HA 0.368 4.688 4.320 0.000 0.000 0.271 3112 K C -2.212 174.405 176.600 0.029 0.000 1.018 3112 K CA -2.143 54.195 56.287 0.084 0.000 0.874 3112 K CB 1.109 33.686 32.500 0.128 0.000 1.098 3112 K HN 0.401 nan 8.250 nan 0.000 0.458 3113 P HA 0.141 nan 4.420 nan 0.000 0.271 3113 P C -1.063 176.244 177.300 0.011 0.000 1.216 3113 P CA -0.082 63.019 63.100 0.001 0.000 0.771 3113 P CB 1.077 32.772 31.700 -0.009 0.000 0.864 3118 G N -1.117 107.713 108.800 0.050 0.000 2.354 3118 G HA2 0.291 4.251 3.960 0.000 0.000 0.582 3118 G HA3 0.291 4.251 3.960 0.000 0.000 0.582 3118 G C -1.325 173.640 174.900 0.109 0.000 1.316 3118 G CA -0.209 44.940 45.100 0.081 0.000 0.995 3118 G HN 2.276 nan 8.290 nan 0.000 0.573 3119 W N 1.502 122.770 121.300 -0.053 0.000 2.534 3119 W HA 0.413 5.073 4.660 0.000 0.000 0.340 3119 W C 1.340 177.825 176.519 -0.056 0.000 1.352 3119 W CA 1.239 58.541 57.345 -0.072 0.000 1.305 3119 W CB -0.028 29.388 29.460 -0.072 0.000 1.299 3119 W HN 1.274 nan 8.180 nan 0.000 0.572 3120 K N 5.622 125.736 120.400 -0.477 0.000 2.569 3120 K HA 0.438 4.758 4.320 0.000 0.000 0.193 3120 K C 0.960 177.062 176.600 -0.830 0.000 1.026 3120 K CA 0.847 56.832 56.287 -0.504 0.000 1.093 3120 K CB -0.693 31.621 32.500 -0.310 0.000 0.849 3120 K HN 1.607 nan 8.250 nan 0.000 0.509 3121 G N -1.027 106.662 108.800 -1.851 0.000 2.663 3121 G HA2 -0.055 3.905 3.960 0.000 0.000 0.686 3121 G HA3 -0.055 3.905 3.960 0.000 0.000 0.686 3121 G C 0.290 174.551 174.900 -1.065 0.000 1.288 3121 G CA -0.120 43.898 45.100 -1.804 0.000 0.836 3121 G HN 0.816 nan 8.290 nan 0.000 0.584 3122 L N 0.323 121.303 121.223 -0.404 0.000 2.131 3122 L HA 0.176 4.516 4.340 0.000 0.000 0.210 3122 L C 2.685 179.537 176.870 -0.029 0.000 1.092 3122 L CA 2.360 57.253 54.840 0.089 0.000 0.759 3122 L CB -0.428 41.735 42.059 0.173 0.000 0.903 3122 L HN 0.639 nan 8.230 nan 0.000 0.435 3123 I N -0.886 119.609 120.570 -0.125 0.000 2.277 3123 I HA -0.207 3.963 4.170 0.000 0.000 0.243 3123 I C 1.769 177.837 176.117 -0.082 0.000 1.094 3123 I CA 1.035 62.267 61.300 -0.113 0.000 1.393 3123 I CB -0.248 37.672 38.000 -0.133 0.000 1.078 3123 I HN 0.292 nan 8.210 nan 0.000 0.417 3124 N N -0.066 118.568 118.700 -0.111 0.000 2.333 3124 N HA -0.101 4.639 4.740 0.000 0.000 0.178 3124 N C 0.283 175.723 175.510 -0.116 0.000 1.018 3124 N CA 0.931 53.961 53.050 -0.033 0.000 0.882 3124 N CB 0.154 38.637 38.487 -0.006 0.000 0.984 3124 N HN 0.126 nan 8.380 nan 0.000 0.434 3125 D N -0.849 119.459 120.400 -0.152 0.000 2.735 3125 D HA 0.161 4.801 4.640 0.000 0.000 0.291 3125 D C -2.075 174.362 176.300 0.228 0.000 1.205 3125 D CA -1.869 52.114 54.000 -0.028 0.000 0.777 3125 D CB 0.841 41.594 40.800 -0.079 0.000 1.234 3125 D HN 0.005 nan 8.370 nan 0.000 0.520 3126 P HA -0.099 nan 4.420 nan 0.000 0.218 3126 P C 0.526 177.925 177.300 0.165 0.000 1.148 3126 P CA 0.919 64.126 63.100 0.178 0.000 0.822 3126 P CB 0.573 32.321 31.700 0.080 0.000 0.784 3127 D N -0.558 119.911 120.400 0.115 0.000 2.355 3127 D HA 0.033 4.673 4.640 0.000 0.000 0.218 3127 D C 0.512 176.843 176.300 0.051 0.000 1.004 3127 D CA 0.169 54.209 54.000 0.066 0.000 0.880 3127 D CB -0.059 40.764 40.800 0.039 0.000 0.911 3127 D HN -0.090 nan 8.370 nan 0.000 0.528 3128 V N 2.084 122.076 119.914 0.129 0.000 6.016 3128 V HA -0.284 3.836 4.120 0.000 0.000 0.265 3128 V C 0.589 176.675 176.094 -0.013 0.000 0.621 3128 V CA 1.305 63.617 62.300 0.019 0.000 0.592 3128 V CB -2.461 29.180 31.823 -0.304 0.000 0.298 3128 V HN 0.592 nan 8.190 nan 0.000 0.615 3129 N N -0.985 117.733 118.700 0.029 0.000 2.301 3129 N HA 0.169 4.910 4.740 0.000 0.000 0.247 3129 N C 0.569 176.075 175.510 -0.008 0.000 1.347 3129 N CA -0.106 52.944 53.050 -0.000 0.000 0.844 3129 N CB 0.567 39.054 38.487 -0.001 0.000 1.332 3129 N HN 0.359 nan 8.380 nan 0.000 0.494 3130 N N 0.511 119.202 118.700 -0.015 0.000 2.909 3130 N HA -0.145 4.595 4.740 0.000 0.000 0.242 3130 N C -0.286 175.141 175.510 -0.138 0.000 0.975 3130 N CA 1.836 54.840 53.050 -0.076 0.000 0.921 3130 N CB -1.516 36.953 38.487 -0.029 0.000 1.112 3130 N HN 0.794 nan 8.380 nan 0.000 0.581 3131 T N -2.847 111.639 114.554 -0.113 0.000 2.862 3131 T HA 0.691 5.041 4.350 0.000 0.000 0.276 3131 T C 0.056 174.635 174.700 -0.201 0.000 0.974 3131 T CA -0.509 61.551 62.100 -0.066 0.000 0.966 3131 T CB 1.185 70.060 68.868 0.012 0.000 1.072 3131 T HN 0.050 nan 8.240 nan 0.000 0.538 3132 F N 1.345 121.303 119.950 0.014 0.000 2.493 3132 F HA 0.527 5.054 4.527 0.000 0.000 0.329 3132 F C 0.593 176.392 175.800 -0.003 0.000 1.126 3132 F CA -0.829 57.170 58.000 -0.001 0.000 0.937 3132 F CB 1.731 40.725 39.000 -0.011 0.000 1.146 3132 F HN 0.569 nan 8.300 nan 0.000 0.442 3133 N N 4.750 123.544 118.700 0.156 0.000 2.697 3133 N HA 0.226 4.967 4.740 0.000 0.000 0.253 3133 N C 0.710 176.250 175.510 0.050 0.000 1.604 3133 N CA 0.081 53.183 53.050 0.087 0.000 0.772 3133 N CB 0.259 38.777 38.487 0.051 0.000 1.267 3133 N HN 0.618 nan 8.380 nan 0.000 0.510 3134 I N 0.074 120.679 120.570 0.059 0.000 2.248 3134 I HA -0.280 3.890 4.170 0.000 0.000 0.248 3134 I C 1.868 177.943 176.117 -0.069 0.000 1.107 3134 I CA 0.820 62.116 61.300 -0.007 0.000 1.373 3134 I CB 0.021 38.016 38.000 -0.007 0.000 1.055 3134 I HN 0.334 nan 8.210 nan 0.000 0.418 3135 N N 0.936 119.609 118.700 -0.045 0.000 2.142 3135 N HA -0.205 4.535 4.740 0.000 0.000 0.186 3135 N C 1.858 177.333 175.510 -0.059 0.000 1.023 3135 N CA 1.239 54.251 53.050 -0.064 0.000 0.852 3135 N CB -0.202 38.272 38.487 -0.023 0.000 0.998 3135 N HN 0.402 nan 8.380 nan 0.000 0.424 3136 K N 0.641 121.025 120.400 -0.028 0.000 2.155 3136 K HA -0.033 4.287 4.320 0.000 0.000 0.203 3136 K C 1.962 178.541 176.600 -0.034 0.000 1.052 3136 K CA 1.039 57.315 56.287 -0.019 0.000 0.948 3136 K CB -0.163 32.339 32.500 0.003 0.000 0.728 3136 K HN 0.096 nan 8.250 nan 0.000 0.448 3137 G N 1.396 110.170 108.800 -0.044 0.000 2.402 3137 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 3137 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 3137 G C 1.453 176.282 174.900 -0.118 0.000 1.162 3137 G CA 0.516 45.580 45.100 -0.059 0.000 0.777 3137 G HN 0.195 nan 8.290 nan 0.000 0.539 3138 L N -0.121 120.995 121.223 -0.178 0.000 2.131 3138 L HA -0.123 4.217 4.340 0.000 0.000 0.210 3138 L C 3.127 179.890 176.870 -0.178 0.000 1.092 3138 L CA 1.053 55.734 54.840 -0.265 0.000 0.759 3138 L CB -0.370 41.406 42.059 -0.470 0.000 0.903 3138 L HN 0.299 nan 8.230 nan 0.000 0.435 3139 Q N -0.742 118.991 119.800 -0.112 0.000 2.079 3139 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 3139 Q C 2.452 178.420 176.000 -0.054 0.000 0.974 3139 Q CA 1.731 57.497 55.803 -0.061 0.000 0.840 3139 Q CB -0.025 28.694 28.738 -0.032 0.000 0.898 3139 Q HN 0.426 nan 8.270 nan 0.000 0.430 3140 S N 0.826 116.496 115.700 -0.051 0.000 2.356 3140 S HA -0.157 4.313 4.470 0.000 0.000 0.223 3140 S C 2.078 176.641 174.600 -0.061 0.000 1.032 3140 S CA 1.019 59.201 58.200 -0.029 0.000 1.005 3140 S CB -0.306 62.893 63.200 -0.002 0.000 0.867 3140 S HN 0.493 nan 8.310 nan 0.000 0.449 3141 A N 1.707 124.444 122.820 -0.138 0.000 1.908 3141 A HA -0.136 4.184 4.320 0.000 0.000 0.218 3141 A C 2.104 179.443 177.584 -0.408 0.000 1.181 3141 A CA 1.685 53.543 52.037 -0.298 0.000 0.627 3141 A CB -0.514 18.253 19.000 -0.389 0.000 0.818 3141 A HN 0.431 nan 8.150 nan 0.000 0.445 3142 R N -1.127 119.223 120.500 -0.249 0.000 2.073 3142 R HA -0.147 4.193 4.340 0.000 0.000 0.229 3142 R C 2.399 178.701 176.300 0.004 0.000 1.120 3142 R CA 1.601 57.621 56.100 -0.133 0.000 0.967 3142 R CB -0.234 30.039 30.300 -0.045 0.000 0.862 3142 R HN 0.533 nan 8.270 nan 0.000 0.436 3143 Q N 0.753 120.555 119.800 0.003 0.000 2.096 3143 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 3143 Q C 1.920 177.970 176.000 0.084 0.000 0.982 3143 Q CA 1.602 57.430 55.803 0.042 0.000 0.850 3143 Q CB -0.375 28.378 28.738 0.025 0.000 0.901 3143 Q HN 0.342 nan 8.270 nan 0.000 0.422 3144 L N -0.507 120.772 121.223 0.094 0.000 1.970 3144 L HA -0.152 4.188 4.340 0.000 0.000 0.212 3144 L C 1.905 178.959 176.870 0.306 0.000 1.071 3144 L CA 1.921 56.868 54.840 0.177 0.000 0.751 3144 L CB -1.003 41.179 42.059 0.204 0.000 0.889 3144 L HN 0.245 nan 8.230 nan 0.000 0.432 3145 F N -0.602 119.367 119.950 0.031 0.000 2.120 3145 F HA -0.218 4.309 4.527 0.000 0.000 0.300 3145 F C 2.546 178.362 175.800 0.026 0.000 1.095 3145 F CA 1.483 59.501 58.000 0.029 0.000 1.249 3145 F CB -1.461 37.556 39.000 0.029 0.000 0.995 3145 F HN -0.031 nan 8.300 nan 0.000 0.480 3146 V N 0.261 120.312 119.914 0.228 0.000 2.307 3146 V HA -0.295 3.825 4.120 0.000 0.000 0.245 3146 V C 2.235 178.383 176.094 0.091 0.000 1.045 3146 V CA 1.908 64.285 62.300 0.128 0.000 1.024 3146 V CB -0.719 31.163 31.823 0.098 0.000 0.651 3146 V HN 0.262 nan 8.190 nan 0.000 0.449 3147 N N 0.411 119.166 118.700 0.092 0.000 2.060 3147 N HA -0.180 4.560 4.740 0.000 0.000 0.195 3147 N C 1.738 177.279 175.510 0.051 0.000 1.028 3147 N CA 1.677 54.765 53.050 0.064 0.000 0.861 3147 N CB -0.559 37.967 38.487 0.064 0.000 1.029 3147 N HN 0.404 nan 8.380 nan 0.000 0.428 3148 L N 0.236 121.496 121.223 0.061 0.000 2.023 3148 L HA -0.107 4.233 4.340 0.000 0.000 0.205 3148 L C 2.502 179.378 176.870 0.011 0.000 1.073 3148 L CA 1.660 56.519 54.840 0.032 0.000 0.745 3148 L CB -1.174 40.899 42.059 0.023 0.000 0.900 3148 L HN 0.324 nan 8.230 nan 0.000 0.435 3149 T N -3.416 111.143 114.554 0.008 0.000 2.915 3149 T HA -0.204 4.146 4.350 0.000 0.000 0.269 3149 T C 1.617 176.324 174.700 0.011 0.000 1.071 3149 T CA 1.278 63.377 62.100 -0.002 0.000 1.132 3149 T CB -0.624 68.243 68.868 -0.002 0.000 0.878 3149 T HN 0.334 nan 8.240 nan 0.000 0.479 3150 N N 1.639 120.353 118.700 0.022 0.000 2.573 3150 N HA -0.038 4.702 4.740 0.000 0.000 0.187 3150 N C 1.528 177.045 175.510 0.011 0.000 1.107 3150 N CA 1.089 54.152 53.050 0.020 0.000 0.918 3150 N CB -0.166 38.337 38.487 0.027 0.000 0.966 3150 N HN 0.816 nan 8.380 nan 0.000 0.448 3151 I N -4.674 115.900 120.570 0.006 0.000 3.941 3151 I HA 0.441 4.611 4.170 0.000 0.000 0.335 3151 I C 0.907 177.020 176.117 -0.006 0.000 1.402 3151 I CA 0.003 61.301 61.300 -0.002 0.000 1.112 3151 I CB 0.412 38.408 38.000 -0.008 0.000 1.043 3151 I HN -0.062 nan 8.210 nan 0.000 0.395 3152 G N 2.062 110.859 108.800 -0.004 0.000 2.131 3152 G HA2 -0.238 3.722 3.960 0.000 0.000 0.223 3152 G HA3 -0.238 3.722 3.960 0.000 0.000 0.223 3152 G C -0.433 174.460 174.900 -0.011 0.000 0.990 3152 G CA 0.146 45.242 45.100 -0.006 0.000 0.671 3152 G HN 0.381 nan 8.290 nan 0.000 0.521 3153 L N 1.565 122.780 121.223 -0.014 0.000 2.294 3153 L HA 0.723 5.063 4.340 0.000 0.000 0.283 3153 L C -2.199 174.653 176.870 -0.030 0.000 1.015 3153 L CA -2.547 52.282 54.840 -0.018 0.000 0.831 3153 L CB 1.298 43.349 42.059 -0.013 0.000 1.217 3153 L HN -0.121 nan 8.230 nan 0.000 0.420 3154 P HA 0.282 nan 4.420 nan 0.000 0.271 3154 P C -0.918 176.336 177.300 -0.077 0.000 1.218 3154 P CA 0.010 63.078 63.100 -0.054 0.000 0.780 3154 P CB 0.615 32.291 31.700 -0.039 0.000 0.901 3155 I N -1.381 119.109 120.570 -0.133 0.000 2.892 3155 I HA 0.911 5.081 4.170 0.000 0.000 0.306 3155 I C -0.298 175.731 176.117 -0.147 0.000 1.078 3155 I CA -1.112 60.082 61.300 -0.177 0.000 1.032 3155 I CB 2.604 40.384 38.000 -0.367 0.000 1.229 3155 I HN 0.316 nan 8.210 nan 0.000 0.435 3156 G N 1.532 110.314 108.800 -0.030 0.000 2.617 3156 G HA2 0.603 4.563 3.960 0.000 0.000 0.306 3156 G HA3 0.603 4.563 3.960 0.000 0.000 0.306 3156 G C -1.613 173.422 174.900 0.225 0.000 1.360 3156 G CA -0.526 44.698 45.100 0.208 0.000 0.983 3156 G HN 0.729 nan 8.290 nan 0.000 0.496 3157 S N 0.055 115.792 115.700 0.061 0.000 2.595 3157 S HA 0.545 5.015 4.470 0.000 0.000 0.281 3157 S C -0.952 173.373 174.600 -0.458 0.000 1.117 3157 S CA -0.684 57.422 58.200 -0.157 0.000 0.873 3157 S CB 1.988 65.214 63.200 0.044 0.000 1.108 3157 S HN 0.683 nan 8.310 nan 0.000 0.477 3158 E N 2.738 122.367 120.200 -0.952 0.000 2.259 3158 E HA 0.244 4.594 4.350 0.000 0.000 0.281 3158 E C -0.507 175.925 176.600 -0.279 0.000 1.027 3158 E CA -0.571 55.443 56.400 -0.643 0.000 0.838 3158 E CB 0.514 29.766 29.700 -0.746 0.000 1.066 3158 E HN 0.528 nan 8.360 nan 0.000 0.401 3159 M N 5.431 124.932 119.600 -0.164 0.000 2.264 3159 M HA 0.070 4.550 4.480 0.000 0.000 0.340 3159 M C 1.096 177.398 176.300 0.003 0.000 1.420 3159 M CA 0.210 55.480 55.300 -0.049 0.000 1.254 3159 M CB -0.152 32.433 32.600 -0.024 0.000 1.575 3159 M HN 0.651 nan 8.290 nan 0.000 0.452 3160 L N 2.819 124.042 121.223 -0.001 0.000 2.095 3160 L HA -0.025 4.315 4.340 0.000 0.000 0.204 3160 L C 1.033 177.990 176.870 0.144 0.000 1.080 3160 L CA 1.878 56.737 54.840 0.032 0.000 0.759 3160 L CB -0.742 41.309 42.059 -0.013 0.000 0.914 3160 L HN 0.765 nan 8.230 nan 0.000 0.439 3161 D N -3.455 116.994 120.400 0.082 0.000 2.837 3161 D HA 0.239 4.879 4.640 0.000 0.000 0.294 3161 D C 0.679 176.908 176.300 -0.117 0.000 1.158 3161 D CA 0.694 54.713 54.000 0.032 0.000 1.073 3161 D CB 0.929 41.740 40.800 0.017 0.000 1.419 3161 D HN 0.114 nan 8.370 nan 0.000 0.584 3162 T N -2.732 111.727 114.554 -0.159 0.000 3.040 3162 T HA 0.255 4.605 4.350 0.000 0.000 0.250 3162 T C 1.764 176.430 174.700 -0.057 0.000 1.058 3162 T CA -0.004 61.992 62.100 -0.173 0.000 0.988 3162 T CB -0.202 68.531 68.868 -0.225 0.000 0.993 3162 T HN 0.387 nan 8.240 nan 0.000 0.519 3163 I N 1.846 122.414 120.570 -0.005 0.000 2.729 3163 I HA 0.015 4.185 4.170 0.000 0.000 0.256 3163 I C 2.822 179.030 176.117 0.151 0.000 1.115 3163 I CA 0.835 62.170 61.300 0.058 0.000 1.446 3163 I CB -0.112 37.938 38.000 0.084 0.000 1.176 3163 I HN 0.321 nan 8.210 nan 0.000 0.446 3164 S N 1.550 117.338 115.700 0.147 0.000 2.400 3164 S HA -0.067 4.403 4.470 0.000 0.000 0.232 3164 S C -0.562 174.158 174.600 0.200 0.000 1.025 3164 S CA 0.842 59.167 58.200 0.209 0.000 0.993 3164 S CB -1.878 61.352 63.200 0.051 0.000 0.808 3164 S HN 0.226 nan 8.310 nan 0.000 0.478 3165 P HA -0.054 nan 4.420 nan 0.000 0.219 3165 P C 1.577 178.934 177.300 0.095 0.000 1.146 3165 P CA 1.000 64.168 63.100 0.113 0.000 0.808 3165 P CB -0.142 31.603 31.700 0.075 0.000 0.779 3166 Q N -1.806 118.009 119.800 0.025 0.000 2.226 3166 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 3166 Q C 1.542 177.440 176.000 -0.170 0.000 0.975 3166 Q CA 1.536 57.268 55.803 -0.118 0.000 0.866 3166 Q CB -0.620 27.956 28.738 -0.271 0.000 0.915 3166 Q HN 0.497 nan 8.270 nan 0.000 0.440 3167 Y N -1.019 119.280 120.300 -0.003 0.000 2.510 3167 Y HA 0.082 4.632 4.550 0.000 0.000 0.273 3167 Y C 1.872 177.768 175.900 -0.006 0.000 1.119 3167 Y CA 0.412 58.502 58.100 -0.016 0.000 1.286 3167 Y CB 0.479 38.911 38.460 -0.047 0.000 1.061 3167 Y HN -0.029 nan 8.280 nan 0.000 0.542 3168 L N -2.524 118.803 121.223 0.173 0.000 2.854 3168 L HA 0.335 4.675 4.340 0.000 0.000 0.249 3168 L C 2.372 179.403 176.870 0.269 0.000 1.091 3168 L CA 0.537 55.495 54.840 0.196 0.000 0.935 3168 L CB -0.501 41.627 42.059 0.114 0.000 1.367 3168 L HN -0.018 nan 8.230 nan 0.000 0.524 3169 A N 1.922 124.883 122.820 0.234 0.000 1.954 3169 A HA -0.330 3.990 4.320 0.000 0.000 0.222 3169 A C 1.917 179.652 177.584 0.251 0.000 1.199 3169 A CA 2.524 54.740 52.037 0.297 0.000 0.657 3169 A CB -0.838 18.337 19.000 0.293 0.000 0.823 3169 A HN 0.666 nan 8.150 nan 0.000 0.463 3170 D N -0.114 120.393 120.400 0.178 0.000 2.311 3170 D HA -0.137 4.503 4.640 0.000 0.000 0.212 3170 D C 1.362 177.731 176.300 0.115 0.000 0.972 3170 D CA 1.241 55.324 54.000 0.138 0.000 0.887 3170 D CB -0.442 40.417 40.800 0.098 0.000 0.915 3170 D HN 0.544 nan 8.370 nan 0.000 0.497 3171 L N 0.218 121.517 121.223 0.127 0.000 2.693 3171 L HA 0.209 4.549 4.340 0.000 0.000 0.235 3171 L C 0.215 177.048 176.870 -0.062 0.000 1.127 3171 L CA -0.285 54.600 54.840 0.076 0.000 0.914 3171 L CB 1.034 43.200 42.059 0.177 0.000 1.193 3171 L HN -0.194 nan 8.230 nan 0.000 0.502 3172 V N -0.782 119.057 119.914 -0.125 0.000 2.539 3172 V HA 0.224 4.344 4.120 0.000 0.000 0.292 3172 V C 0.866 176.662 176.094 -0.498 0.000 1.045 3172 V CA 0.030 62.084 62.300 -0.410 0.000 0.945 3172 V CB 1.788 33.236 31.823 -0.624 0.000 0.993 3172 V HN 0.099 nan 8.190 nan 0.000 0.464 3173 S N 2.648 118.110 115.700 -0.397 0.000 2.526 3173 S HA 0.351 4.821 4.470 0.000 0.000 0.220 3173 S C -0.297 174.248 174.600 -0.092 0.000 1.017 3173 S CA 0.028 58.119 58.200 -0.181 0.000 0.930 3173 S CB 0.242 63.415 63.200 -0.045 0.000 0.856 3173 S HN 0.645 nan 8.310 nan 0.000 0.497 3174 F N 0.698 120.384 119.950 -0.439 0.000 2.615 3174 F HA 0.661 5.188 4.527 0.000 0.000 0.312 3174 F C -0.636 175.042 175.800 -0.202 0.000 1.119 3174 F CA -0.542 57.368 58.000 -0.150 0.000 0.979 3174 F CB 0.795 39.802 39.000 0.013 0.000 1.266 3174 F HN -0.038 nan 8.300 nan 0.000 0.444 3175 G N 2.654 110.930 108.800 -0.873 0.000 2.519 3175 G HA2 0.816 4.776 3.960 0.000 0.000 0.307 3175 G HA3 0.816 4.776 3.960 0.000 0.000 0.307 3175 G C -2.070 172.235 174.900 -0.992 0.000 1.266 3175 G CA -0.613 44.123 45.100 -0.608 0.000 0.970 3175 G HN 1.101 nan 8.290 nan 0.000 0.481 3176 A N 1.091 123.567 122.820 -0.573 0.000 2.401 3176 A HA 0.764 5.084 4.320 0.000 0.000 0.310 3176 A C -0.808 176.572 177.584 -0.340 0.000 1.075 3176 A CA -0.609 51.179 52.037 -0.415 0.000 0.746 3176 A CB 1.330 20.314 19.000 -0.027 0.000 1.277 3176 A HN 0.545 nan 8.150 nan 0.000 0.425 3177 I N 2.054 122.380 120.570 -0.407 0.000 2.359 3177 I HA 0.338 4.508 4.170 0.000 0.000 0.294 3177 I C 1.248 177.265 176.117 -0.166 0.000 0.987 3177 I CA -0.157 60.965 61.300 -0.297 0.000 1.225 3177 I CB 0.738 38.479 38.000 -0.432 0.000 1.366 3177 I HN 0.829 nan 8.210 nan 0.000 0.466 3178 G N 3.891 112.607 108.800 -0.141 0.000 2.474 3178 G HA2 0.208 4.168 3.960 0.000 0.000 0.233 3178 G HA3 0.208 4.168 3.960 0.000 0.000 0.233 3178 G C 0.974 175.819 174.900 -0.093 0.000 1.278 3178 G CA 0.260 45.294 45.100 -0.110 0.000 0.861 3178 G HN 0.857 nan 8.290 nan 0.000 0.567 3179 A N 2.290 125.078 122.820 -0.053 0.000 1.972 3179 A HA -0.077 4.243 4.320 0.000 0.000 0.219 3179 A C 2.397 179.955 177.584 -0.044 0.000 1.169 3179 A CA 1.360 53.381 52.037 -0.026 0.000 0.635 3179 A CB -0.211 18.781 19.000 -0.013 0.000 0.810 3179 A HN 0.695 nan 8.150 nan 0.000 0.446 3180 R N -0.483 119.976 120.500 -0.069 0.000 2.285 3180 R HA -0.047 4.293 4.340 0.000 0.000 0.213 3180 R C 0.981 177.210 176.300 -0.118 0.000 1.068 3180 R CA 1.408 57.463 56.100 -0.075 0.000 1.004 3180 R CB -0.212 30.048 30.300 -0.067 0.000 0.873 3180 R HN 0.689 nan 8.270 nan 0.000 0.467 3181 T N -4.738 109.703 114.554 -0.190 0.000 3.200 3181 T HA 0.144 4.494 4.350 0.000 0.000 0.284 3181 T C 1.180 175.793 174.700 -0.145 0.000 1.009 3181 T CA -0.346 61.576 62.100 -0.296 0.000 0.907 3181 T CB 0.754 69.103 68.868 -0.866 0.000 1.120 3181 T HN -0.139 nan 8.240 nan 0.000 0.534 3182 T N 2.516 117.054 114.554 -0.027 0.000 2.788 3182 T HA -0.064 4.286 4.350 0.000 0.000 0.268 3182 T C 1.589 176.282 174.700 -0.011 0.000 1.044 3182 T CA 1.356 63.510 62.100 0.089 0.000 1.139 3182 T CB -0.158 68.760 68.868 0.084 0.000 0.867 3182 T HN 0.542 nan 8.240 nan 0.000 0.454 3183 E N 0.913 121.092 120.200 -0.036 0.000 2.481 3183 E HA 0.104 4.454 4.350 0.000 0.000 0.195 3183 E C 0.730 177.308 176.600 -0.037 0.000 1.047 3183 E CA -0.221 56.149 56.400 -0.049 0.000 0.867 3183 E CB 0.199 29.877 29.700 -0.037 0.000 0.858 3183 E HN 0.186 nan 8.360 nan 0.000 0.513 3184 S N 1.145 116.833 115.700 -0.020 0.000 2.488 3184 S HA -0.016 4.454 4.470 0.000 0.000 0.278 3184 S C 1.134 175.738 174.600 0.008 0.000 1.259 3184 S CA -0.404 57.804 58.200 0.012 0.000 1.061 3184 S CB 0.828 64.066 63.200 0.065 0.000 0.910 3184 S HN 0.103 nan 8.310 nan 0.000 0.491 3185 Q N 3.962 123.743 119.800 -0.032 0.000 2.124 3185 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 3185 Q C 1.867 177.767 176.000 -0.166 0.000 0.977 3185 Q CA 1.554 57.303 55.803 -0.089 0.000 0.850 3185 Q CB -0.276 28.421 28.738 -0.069 0.000 0.901 3185 Q HN 0.834 nan 8.270 nan 0.000 0.429 3186 L N -0.650 120.501 121.223 -0.121 0.000 2.042 3186 L HA -0.231 4.109 4.340 0.000 0.000 0.210 3186 L C 2.100 178.789 176.870 -0.303 0.000 1.076 3186 L CA 1.426 56.125 54.840 -0.235 0.000 0.749 3186 L CB -0.464 41.511 42.059 -0.140 0.000 0.893 3186 L HN 0.284 nan 8.230 nan 0.000 0.432 3187 H N -0.938 118.038 119.070 -0.157 0.000 2.470 3187 H HA 0.015 4.571 4.556 0.000 0.000 0.289 3187 H C 2.332 177.623 175.328 -0.062 0.000 1.033 3187 H CA 0.745 56.734 56.048 -0.098 0.000 1.331 3187 H CB 0.135 29.887 29.762 -0.016 0.000 1.414 3187 H HN 0.144 nan 8.280 nan 0.000 0.545 3188 R N 0.484 120.986 120.500 0.004 0.000 2.090 3188 R HA -0.076 4.264 4.340 0.000 0.000 0.228 3188 R C 1.834 177.982 176.300 -0.253 0.000 1.110 3188 R CA 1.297 57.368 56.100 -0.049 0.000 0.973 3188 R CB 0.008 30.226 30.300 -0.136 0.000 0.869 3188 R HN 0.501 nan 8.270 nan 0.000 0.440 3189 E N 0.840 120.744 120.200 -0.494 0.000 2.051 3189 E HA -0.210 4.140 4.350 0.000 0.000 0.192 3189 E C 1.983 178.330 176.600 -0.422 0.000 0.991 3189 E CA 1.006 56.980 56.400 -0.710 0.000 0.799 3189 E CB -0.170 28.843 29.700 -1.145 0.000 0.748 3189 E HN 0.101 nan 8.360 nan 0.000 0.449 3190 L N 1.402 122.376 121.223 -0.414 0.000 1.989 3190 L HA -0.207 4.133 4.340 0.000 0.000 0.211 3190 L C 2.312 179.105 176.870 -0.129 0.000 1.071 3190 L CA 2.281 56.977 54.840 -0.241 0.000 0.749 3190 L CB -0.756 41.133 42.059 -0.283 0.000 0.890 3190 L HN 0.064 nan 8.230 nan 0.000 0.431 3191 A N -0.590 122.172 122.820 -0.097 0.000 1.917 3191 A HA -0.292 4.028 4.320 0.000 0.000 0.219 3191 A C 2.478 180.032 177.584 -0.050 0.000 1.182 3191 A CA 2.537 54.532 52.037 -0.070 0.000 0.633 3191 A CB -1.435 17.625 19.000 0.100 0.000 0.819 3191 A HN 0.741 nan 8.150 nan 0.000 0.448 3192 S N -0.975 114.733 115.700 0.013 0.000 2.465 3192 S HA 0.071 4.541 4.470 0.000 0.000 0.241 3192 S C 1.533 176.171 174.600 0.062 0.000 1.000 3192 S CA 1.387 59.639 58.200 0.086 0.000 0.964 3192 S CB -0.560 62.796 63.200 0.261 0.000 0.763 3192 S HN 0.813 nan 8.310 nan 0.000 0.512 3193 G N 0.200 109.016 108.800 0.027 0.000 3.192 3193 G HA2 0.426 4.386 3.960 0.000 0.000 0.239 3193 G HA3 0.426 4.386 3.960 0.000 0.000 0.239 3193 G C 0.185 175.023 174.900 -0.103 0.000 1.084 3193 G CA -0.518 44.589 45.100 0.011 0.000 0.784 3193 G HN 0.443 nan 8.290 nan 0.000 0.540 3194 L N 1.396 122.477 121.223 -0.237 0.000 2.371 3194 L HA 0.214 4.554 4.340 0.000 0.000 0.272 3194 L C 0.842 177.415 176.870 -0.495 0.000 1.124 3194 L CA -0.413 54.120 54.840 -0.511 0.000 0.816 3194 L CB 1.636 43.132 42.059 -0.939 0.000 1.129 3194 L HN -0.057 nan 8.230 nan 0.000 0.448 3195 S N 3.140 118.596 115.700 -0.406 0.000 2.859 3195 S HA 0.238 4.708 4.470 0.000 0.000 0.245 3195 S C -0.444 174.190 174.600 0.057 0.000 1.008 3195 S CA -0.140 58.002 58.200 -0.096 0.000 1.089 3195 S CB -0.950 62.291 63.200 0.069 0.000 0.798 3195 S HN 0.461 nan 8.310 nan 0.000 0.477 3196 F N -2.579 117.418 119.950 0.078 0.000 2.773 3196 F HA 0.631 5.158 4.527 0.000 0.000 0.314 3196 F C -3.554 172.312 175.800 0.110 0.000 1.160 3196 F CA -3.217 54.839 58.000 0.094 0.000 0.920 3196 F CB -0.034 39.002 39.000 0.061 0.000 1.323 3196 F HN -0.315 nan 8.300 nan 0.000 0.457 3197 P HA 0.325 nan 4.420 nan 0.000 0.267 3197 P C -1.071 176.382 177.300 0.255 0.000 1.200 3197 P CA -0.130 63.213 63.100 0.405 0.000 0.772 3197 P CB 1.073 33.072 31.700 0.500 0.000 0.855 3198 V N 2.338 122.267 119.914 0.024 0.000 2.709 3198 V HA 0.695 4.815 4.120 0.000 0.000 0.308 3198 V C 0.436 176.067 176.094 -0.772 0.000 1.062 3198 V CA -0.507 61.567 62.300 -0.377 0.000 0.901 3198 V CB 2.232 33.832 31.823 -0.373 0.000 1.003 3198 V HN 0.707 nan 8.190 nan 0.000 0.425 3199 G N 2.438 110.633 108.800 -1.009 0.000 2.416 3199 G HA2 0.743 4.703 3.960 0.000 0.000 0.329 3199 G HA3 0.743 4.703 3.960 0.000 0.000 0.329 3199 G C -1.497 172.961 174.900 -0.737 0.000 1.173 3199 G CA -0.368 44.058 45.100 -1.124 0.000 0.929 3199 G HN 0.383 nan 8.290 nan 0.000 0.475 3200 F N 0.485 120.259 119.950 -0.293 0.000 2.520 3200 F HA 0.445 4.972 4.527 0.000 0.000 0.322 3200 F C 0.656 176.423 175.800 -0.055 0.000 1.103 3200 F CA -0.826 57.093 58.000 -0.135 0.000 0.926 3200 F CB 2.574 41.509 39.000 -0.109 0.000 1.154 3200 F HN 0.167 nan 8.300 nan 0.000 0.453 3201 K N 2.886 123.380 120.400 0.156 0.000 2.185 3201 K HA 0.217 4.537 4.320 0.000 0.000 0.271 3201 K C 0.012 176.678 176.600 0.109 0.000 1.013 3201 K CA -0.833 55.525 56.287 0.118 0.000 0.943 3201 K CB 0.599 33.146 32.500 0.080 0.000 0.998 3201 K HN 0.677 nan 8.250 nan 0.000 0.468 3202 N N 0.523 119.282 118.700 0.098 0.000 2.381 3202 N HA -0.021 4.719 4.740 0.000 0.000 0.241 3202 N C 0.300 175.842 175.510 0.054 0.000 1.279 3202 N CA -0.372 52.723 53.050 0.075 0.000 0.896 3202 N CB 0.357 38.889 38.487 0.075 0.000 1.118 3202 N HN 0.580 nan 8.380 nan 0.000 0.438 3203 G N -0.388 108.435 108.800 0.037 0.000 2.690 3203 G HA2 0.036 3.996 3.960 0.000 0.000 0.239 3203 G HA3 0.036 3.996 3.960 0.000 0.000 0.239 3203 G C 1.066 175.982 174.900 0.028 0.000 1.233 3203 G CA 0.011 45.126 45.100 0.025 0.000 0.847 3203 G HN 0.706 nan 8.290 nan 0.000 0.588 3204 T N -0.580 113.986 114.554 0.021 0.000 2.962 3204 T HA -0.119 4.231 4.350 0.000 0.000 0.270 3204 T C 1.635 176.348 174.700 0.022 0.000 1.088 3204 T CA 1.395 63.508 62.100 0.022 0.000 1.127 3204 T CB -0.097 68.781 68.868 0.016 0.000 0.883 3204 T HN 0.668 nan 8.240 nan 0.000 0.493 3205 D N 1.106 121.517 120.400 0.018 0.000 2.349 3205 D HA 0.181 4.821 4.640 0.000 0.000 0.224 3205 D C 1.693 178.004 176.300 0.018 0.000 1.029 3205 D CA 0.719 54.728 54.000 0.016 0.000 0.879 3205 D CB -0.631 40.175 40.800 0.011 0.000 0.906 3205 D HN 0.518 nan 8.370 nan 0.000 0.528 3206 G N 0.055 108.870 108.800 0.025 0.000 2.258 3206 G HA2 -0.282 3.678 3.960 0.000 0.000 0.233 3206 G HA3 -0.282 3.678 3.960 0.000 0.000 0.233 3206 G C 0.613 175.529 174.900 0.028 0.000 1.006 3206 G CA 0.441 45.557 45.100 0.027 0.000 0.620 3206 G HN 0.793 nan 8.290 nan 0.000 0.511 3207 T N -0.566 114.002 114.554 0.022 0.000 2.813 3207 T HA 0.610 4.960 4.350 0.000 0.000 0.297 3207 T C 1.118 175.834 174.700 0.027 0.000 1.036 3207 T CA 0.277 62.390 62.100 0.021 0.000 1.044 3207 T CB 1.493 70.369 68.868 0.013 0.000 0.993 3207 T HN 0.322 nan 8.240 nan 0.000 0.535 3208 L N 1.502 122.741 121.223 0.027 0.000 2.640 3208 L HA 0.306 4.646 4.340 0.000 0.000 0.230 3208 L C 1.897 178.776 176.870 0.014 0.000 1.123 3208 L CA 0.262 55.121 54.840 0.032 0.000 0.900 3208 L CB -1.105 40.981 42.059 0.045 0.000 1.146 3208 L HN 0.628 nan 8.230 nan 0.000 0.484 3209 N N 0.389 119.091 118.700 0.004 0.000 2.011 3209 N HA -0.239 4.501 4.740 0.000 0.000 0.199 3209 N C 1.986 177.476 175.510 -0.033 0.000 1.047 3209 N CA 2.105 55.149 53.050 -0.011 0.000 0.863 3209 N CB -0.769 37.712 38.487 -0.009 0.000 1.056 3209 N HN 0.285 nan 8.380 nan 0.000 0.427 3210 V N -1.614 118.280 119.914 -0.033 0.000 2.380 3210 V HA -0.162 3.958 4.120 0.000 0.000 0.251 3210 V C 2.091 178.117 176.094 -0.112 0.000 1.063 3210 V CA 1.955 64.217 62.300 -0.063 0.000 1.055 3210 V CB -1.322 30.477 31.823 -0.040 0.000 0.657 3210 V HN 0.352 nan 8.190 nan 0.000 0.455 3211 A N 0.136 122.917 122.820 -0.065 0.000 1.897 3211 A HA -0.016 4.304 4.320 0.000 0.000 0.215 3211 A C 2.371 179.878 177.584 -0.129 0.000 1.181 3211 A CA 1.942 53.936 52.037 -0.072 0.000 0.620 3211 A CB -0.765 18.268 19.000 0.055 0.000 0.821 3211 A HN 0.460 nan 8.150 nan 0.000 0.443 3212 V N 0.717 120.591 119.914 -0.066 0.000 2.307 3212 V HA -0.229 3.891 4.120 0.000 0.000 0.245 3212 V C 2.178 178.207 176.094 -0.109 0.000 1.045 3212 V CA 2.232 64.500 62.300 -0.054 0.000 1.024 3212 V CB -0.801 31.012 31.823 -0.016 0.000 0.651 3212 V HN 0.495 nan 8.190 nan 0.000 0.449 3213 D N 0.611 120.941 120.400 -0.117 0.000 2.104 3213 D HA -0.170 4.470 4.640 0.000 0.000 0.194 3213 D C 2.255 178.424 176.300 -0.218 0.000 0.994 3213 D CA 1.777 55.704 54.000 -0.122 0.000 0.830 3213 D CB -0.416 40.326 40.800 -0.096 0.000 0.959 3213 D HN 0.434 nan 8.370 nan 0.000 0.452 3214 A N 0.662 123.246 122.820 -0.393 0.000 1.892 3214 A HA -0.235 4.085 4.320 0.000 0.000 0.218 3214 A C 2.624 179.782 177.584 -0.709 0.000 1.188 3214 A CA 1.684 53.264 52.037 -0.762 0.000 0.631 3214 A CB -1.089 17.006 19.000 -1.509 0.000 0.822 3214 A HN 0.373 nan 8.150 nan 0.000 0.447 3215 C N -0.813 118.185 119.300 -0.504 0.000 2.413 3215 C HA -0.145 4.315 4.460 0.000 0.000 0.276 3215 C C 2.952 177.870 174.990 -0.121 0.000 1.248 3215 C CA 1.246 60.161 59.018 -0.170 0.000 1.742 3215 C CB -1.438 26.288 27.740 -0.022 0.000 2.017 3215 C HN 0.676 nan 8.230 nan 0.000 0.481 3216 Q N 0.672 120.392 119.800 -0.132 0.000 2.079 3216 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 3216 Q C 2.563 178.472 176.000 -0.151 0.000 0.974 3216 Q CA 1.658 57.381 55.803 -0.133 0.000 0.840 3216 Q CB -0.405 28.294 28.738 -0.064 0.000 0.898 3216 Q HN 0.736 nan 8.270 nan 0.000 0.430 3217 A N 1.553 124.342 122.820 -0.051 0.000 1.883 3217 A HA -0.133 4.187 4.320 0.000 0.000 0.217 3217 A C 2.339 180.023 177.584 0.167 0.000 1.186 3217 A CA 1.710 53.814 52.037 0.112 0.000 0.624 3217 A CB -0.818 18.206 19.000 0.040 0.000 0.822 3217 A HN 0.393 nan 8.150 nan 0.000 0.444 3218 A N -0.503 122.335 122.820 0.030 0.000 2.125 3218 A HA 0.244 4.565 4.320 0.000 0.000 0.219 3218 A C 2.276 179.895 177.584 0.058 0.000 1.156 3218 A CA 1.673 53.763 52.037 0.088 0.000 0.671 3218 A CB -0.709 18.368 19.000 0.128 0.000 0.794 3218 A HN 1.045 nan 8.150 nan 0.000 0.459 3219 A N -0.999 121.773 122.820 -0.081 0.000 2.119 3219 A HA 0.065 4.385 4.320 0.000 0.000 0.217 3219 A C 1.024 178.507 177.584 -0.169 0.000 1.153 3219 A CA 0.277 52.215 52.037 -0.165 0.000 0.692 3219 A CB -0.421 18.417 19.000 -0.271 0.000 0.799 3219 A HN 0.583 nan 8.150 nan 0.000 0.458 3220 H N -0.292 118.801 119.070 0.039 0.000 2.505 3220 H HA 0.364 4.920 4.556 0.000 0.000 0.355 3220 H C 0.264 175.543 175.328 -0.081 0.000 1.179 3220 H CA -0.255 55.757 56.048 -0.060 0.000 1.343 3220 H CB 1.026 30.692 29.762 -0.160 0.000 1.501 3220 H HN 0.213 nan 8.280 nan 0.000 0.569 3221 S N 1.274 116.985 115.700 0.018 0.000 2.576 3221 S HA 0.138 4.608 4.470 0.000 0.000 0.276 3221 S C -0.482 174.023 174.600 -0.158 0.000 1.339 3221 S CA -0.317 57.885 58.200 0.003 0.000 1.039 3221 S CB 0.093 63.294 63.200 0.002 0.000 0.902 3221 S HN 0.519 nan 8.310 nan 0.000 0.516 3222 H N 1.593 120.769 119.070 0.177 0.000 2.821 3222 H HA 0.348 4.904 4.556 0.000 0.000 0.373 3222 H C -1.302 174.181 175.328 0.257 0.000 1.165 3222 H CA -0.523 55.681 56.048 0.261 0.000 1.154 3222 H CB 1.736 31.717 29.762 0.365 0.000 1.765 3222 H HN 0.777 nan 8.280 nan 0.000 0.549 3223 H N 2.182 121.417 119.070 0.275 0.000 2.658 3223 H HA 0.412 4.968 4.556 0.000 0.000 0.337 3223 H C -1.352 174.079 175.328 0.172 0.000 1.009 3223 H CA -0.560 55.520 56.048 0.054 0.000 1.231 3223 H CB 0.376 30.153 29.762 0.024 0.000 1.508 3223 H HN 0.462 nan 8.280 nan 0.000 0.517 3224 F N 1.485 121.311 119.950 -0.206 0.000 2.807 3224 F HA 0.441 4.968 4.527 0.000 0.000 0.316 3224 F C -1.715 173.984 175.800 -0.169 0.000 1.162 3224 F CA -1.387 56.532 58.000 -0.135 0.000 0.910 3224 F CB 0.996 39.965 39.000 -0.052 0.000 1.314 3224 F HN 0.281 nan 8.300 nan 0.000 0.454 3225 M N 1.598 121.290 119.600 0.153 0.000 2.216 3225 M HA 0.689 5.169 4.480 0.000 0.000 0.356 3225 M C 0.126 176.536 176.300 0.183 0.000 1.205 3225 M CA 0.006 55.341 55.300 0.058 0.000 1.122 3225 M CB 1.224 33.845 32.600 0.035 0.000 1.571 3225 M HN 1.002 nan 8.290 nan 0.000 0.464 3226 G N 1.153 109.994 108.800 0.068 0.000 2.576 3226 G HA2 0.527 4.487 3.960 0.000 0.000 0.290 3226 G HA3 0.527 4.487 3.960 0.000 0.000 0.290 3226 G C -1.490 173.414 174.900 0.008 0.000 1.442 3226 G CA -0.792 44.362 45.100 0.091 0.000 0.792 3226 G HN 0.534 nan 8.290 nan 0.000 0.491 3227 V N 0.654 120.568 119.914 0.000 0.000 2.775 3227 V HA 0.583 4.703 4.120 0.000 0.000 0.299 3227 V C 1.215 177.269 176.094 -0.066 0.000 1.062 3227 V CA 0.300 62.581 62.300 -0.032 0.000 1.063 3227 V CB 1.006 32.812 31.823 -0.029 0.000 0.994 3227 V HN 1.148 nan 8.190 nan 0.000 0.483 3231 G N 1.478 110.291 108.800 0.021 0.000 2.148 3231 G HA2 -0.245 3.715 3.960 0.000 0.000 0.254 3231 G HA3 -0.245 3.715 3.960 0.000 0.000 0.254 3231 G C 0.412 175.318 174.900 0.010 0.000 0.981 3231 G CA 0.846 45.953 45.100 0.012 0.000 0.670 3231 G HN 0.743 nan 8.290 nan 0.000 0.528 3232 V N -2.380 117.542 119.914 0.013 0.000 3.019 3232 V HA 0.972 5.092 4.120 0.000 0.000 0.317 3232 V C 0.398 176.481 176.094 -0.017 0.000 1.094 3232 V CA -0.355 61.944 62.300 -0.002 0.000 1.000 3232 V CB 1.926 33.754 31.823 0.008 0.000 1.060 3232 V HN 1.767 nan 8.190 nan 0.000 0.443 3233 A N 2.291 125.096 122.820 -0.024 0.000 2.328 3233 A HA 0.947 5.267 4.320 0.000 0.000 0.284 3233 A C 0.263 177.825 177.584 -0.037 0.000 1.160 3233 A CA 0.199 52.219 52.037 -0.029 0.000 0.818 3233 A CB 0.324 19.308 19.000 -0.027 0.000 1.087 3233 A HN 2.341 nan 8.150 nan 0.000 0.504 3234 A N 1.973 124.760 122.820 -0.054 0.000 2.552 3234 A HA 0.772 5.092 4.320 0.000 0.000 0.288 3234 A C -0.822 176.684 177.584 -0.130 0.000 1.193 3234 A CA -0.602 51.389 52.037 -0.077 0.000 0.713 3234 A CB 0.692 19.647 19.000 -0.074 0.000 1.305 3234 A HN 0.730 nan 8.150 nan 0.000 0.424 3235 I N 1.468 121.935 120.570 -0.172 0.000 2.315 3235 I HA 0.352 4.522 4.170 0.000 0.000 0.291 3235 I C -0.203 175.673 176.117 -0.402 0.000 1.006 3235 I CA -0.041 61.075 61.300 -0.306 0.000 1.265 3235 I CB 1.684 39.513 38.000 -0.285 0.000 1.387 3235 I HN 0.553 nan 8.210 nan 0.000 0.475 3236 T N 4.050 118.223 114.554 -0.635 0.000 2.859 3236 T HA 0.414 4.764 4.350 0.000 0.000 0.281 3236 T C -0.116 174.166 174.700 -0.695 0.000 1.005 3236 T CA -0.451 61.245 62.100 -0.672 0.000 1.025 3236 T CB 1.514 69.861 68.868 -0.868 0.000 0.977 3236 T HN 0.472 nan 8.240 nan 0.000 0.458 3237 T N 2.777 117.133 114.554 -0.331 0.000 2.847 3237 T HA 0.565 4.915 4.350 0.000 0.000 0.291 3237 T C 0.329 174.992 174.700 -0.062 0.000 0.998 3237 T CA -0.830 61.212 62.100 -0.097 0.000 0.967 3237 T CB 1.161 70.069 68.868 0.067 0.000 0.954 3237 T HN 0.785 nan 8.240 nan 0.000 0.441 3238 T N -0.374 114.196 114.554 0.026 0.000 2.936 3238 T HA 0.481 4.831 4.350 0.000 0.000 0.282 3238 T C 1.094 175.837 174.700 0.072 0.000 1.003 3238 T CA -0.946 61.197 62.100 0.073 0.000 1.005 3238 T CB 1.559 70.540 68.868 0.187 0.000 1.097 3238 T HN 0.602 nan 8.240 nan 0.000 0.532 3239 K N -0.083 120.348 120.400 0.051 0.000 2.352 3239 K HA 0.516 4.836 4.320 0.000 0.000 0.194 3239 K C 0.907 177.531 176.600 0.040 0.000 1.038 3239 K CA 0.027 56.334 56.287 0.034 0.000 1.023 3239 K CB -0.130 32.377 32.500 0.013 0.000 0.840 3239 K HN 1.243 nan 8.250 nan 0.000 0.519 3240 G N 1.123 109.960 108.800 0.061 0.000 2.674 3240 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 3240 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 3240 G C -1.945 172.952 174.900 -0.006 0.000 1.195 3240 G CA -0.733 44.399 45.100 0.054 0.000 0.776 3240 G HN 0.243 nan 8.290 nan 0.000 0.654 3241 N N 0.895 119.586 118.700 -0.015 0.000 2.479 3241 N HA 0.323 5.063 4.740 0.000 0.000 0.261 3241 N C 1.267 176.726 175.510 -0.086 0.000 0.979 3241 N CA -0.222 52.792 53.050 -0.059 0.000 0.930 3241 N CB 1.427 39.898 38.487 -0.027 0.000 1.172 3241 N HN 0.725 nan 8.380 nan 0.000 0.499 3242 E N 2.464 122.535 120.200 -0.215 0.000 2.478 3242 E HA -0.068 4.282 4.350 0.000 0.000 0.194 3242 E C -0.328 176.212 176.600 -0.101 0.000 1.045 3242 E CA 0.664 56.946 56.400 -0.196 0.000 0.868 3242 E CB -0.319 29.226 29.700 -0.259 0.000 0.885 3242 E HN 0.647 nan 8.360 nan 0.000 0.505 3243 H N 0.200 119.332 119.070 0.104 0.000 2.640 3243 H HA 0.274 4.830 4.556 0.000 0.000 0.312 3243 H C -0.412 175.068 175.328 0.253 0.000 1.110 3243 H CA -0.818 55.334 56.048 0.174 0.000 1.098 3243 H CB -0.062 29.799 29.762 0.166 0.000 1.485 3243 H HN 0.078 nan 8.280 nan 0.000 0.526 3244 C N 1.639 121.114 119.300 0.291 0.000 2.365 3244 C HA 0.507 4.967 4.460 0.000 0.000 0.351 3244 C C -0.060 175.124 174.990 0.323 0.000 1.240 3244 C CA -0.722 58.436 59.018 0.234 0.000 2.062 3244 C CB -0.743 27.147 27.740 0.251 0.000 2.387 3244 C HN 0.573 nan 8.230 nan 0.000 0.537 3245 F N 0.076 120.164 119.950 0.231 0.000 2.664 3245 F HA 0.825 5.352 4.527 0.000 0.000 0.317 3245 F C -0.876 175.060 175.800 0.227 0.000 1.108 3245 F CA -1.368 56.752 58.000 0.200 0.000 0.957 3245 F CB 0.271 39.376 39.000 0.175 0.000 1.365 3245 F HN 0.226 nan 8.300 nan 0.000 0.475 3246 V N 2.382 122.512 119.914 0.359 0.000 2.567 3246 V HA 0.394 4.514 4.120 0.000 0.000 0.289 3246 V C -0.011 176.285 176.094 0.336 0.000 1.049 3246 V CA -0.590 61.864 62.300 0.257 0.000 0.969 3246 V CB 1.497 33.439 31.823 0.198 0.000 0.995 3246 V HN 0.620 nan 8.190 nan 0.000 0.471 3247 I N 5.093 125.809 120.570 0.242 0.000 2.362 3247 I HA 0.359 4.529 4.170 0.000 0.000 0.289 3247 I C -0.408 175.829 176.117 0.200 0.000 0.994 3247 I CA -0.382 61.075 61.300 0.262 0.000 1.158 3247 I CB 1.459 39.597 38.000 0.231 0.000 1.315 3247 I HN 0.359 nan 8.210 nan 0.000 0.451 3248 L N 7.360 128.704 121.223 0.201 0.000 2.319 3248 L HA 0.373 4.713 4.340 0.000 0.000 0.280 3248 L C 0.575 177.554 176.870 0.182 0.000 1.099 3248 L CA -0.185 54.758 54.840 0.172 0.000 0.828 3248 L CB 0.470 42.630 42.059 0.168 0.000 1.150 3248 L HN 0.700 nan 8.230 nan 0.000 0.442 3249 R N 1.554 122.148 120.500 0.157 0.000 2.599 3249 R HA 0.476 4.816 4.340 0.000 0.000 0.451 3249 R C 0.241 176.629 176.300 0.146 0.000 0.988 3249 R CA -0.064 56.134 56.100 0.164 0.000 1.085 3249 R CB 0.391 30.776 30.300 0.142 0.000 1.452 3249 R HN 0.657 nan 8.270 nan 0.000 0.596 3250 G N -0.599 108.283 108.800 0.136 0.000 2.804 3250 G HA2 0.185 4.145 3.960 0.000 0.000 0.230 3250 G HA3 0.185 4.145 3.960 0.000 0.000 0.230 3250 G C 0.119 175.067 174.900 0.080 0.000 1.386 3250 G CA -0.298 44.868 45.100 0.110 0.000 0.875 3250 G HN 1.060 nan 8.290 nan 0.000 0.557 3251 G N -2.285 106.553 108.800 0.063 0.000 2.360 3251 G HA2 0.566 4.526 3.960 0.000 0.000 0.276 3251 G HA3 0.566 4.526 3.960 0.000 0.000 0.276 3251 G C 0.483 175.405 174.900 0.036 0.000 1.256 3251 G CA 0.606 45.735 45.100 0.048 0.000 0.890 3251 G HN 0.873 nan 8.290 nan 0.000 0.486 3252 K N 0.480 120.896 120.400 0.028 0.000 2.280 3252 K HA -0.048 4.272 4.320 0.000 0.000 0.202 3252 K C 1.874 178.484 176.600 0.016 0.000 1.047 3252 K CA 1.485 57.784 56.287 0.021 0.000 0.942 3252 K CB -0.094 32.416 32.500 0.017 0.000 0.739 3252 K HN 0.637 nan 8.250 nan 0.000 0.457 3253 K N -0.149 120.260 120.400 0.014 0.000 2.570 3253 K HA 0.214 4.534 4.320 0.000 0.000 0.210 3253 K C 0.346 176.947 176.600 0.001 0.000 1.048 3253 K CA 0.294 56.585 56.287 0.006 0.000 1.167 3253 K CB 0.109 32.611 32.500 0.003 0.000 0.892 3253 K HN 0.049 nan 8.250 nan 0.000 0.480 3254 G N 1.404 110.210 108.800 0.010 0.000 2.685 3254 G HA2 -0.273 3.687 3.960 0.000 0.000 0.387 3254 G HA3 -0.273 3.687 3.960 0.000 0.000 0.387 3254 G C -0.278 174.629 174.900 0.012 0.000 1.324 3254 G CA -0.473 44.631 45.100 0.007 0.000 0.878 3254 G HN 0.482 nan 8.290 nan 0.000 0.527 3255 T N -1.709 112.847 114.554 0.004 0.000 2.900 3255 T HA 0.452 4.802 4.350 0.000 0.000 0.307 3255 T C 0.812 175.459 174.700 -0.088 0.000 1.065 3255 T CA 0.651 62.764 62.100 0.021 0.000 1.105 3255 T CB 1.141 70.049 68.868 0.067 0.000 0.979 3255 T HN 1.880 nan 8.240 nan 0.000 0.544 3256 N N -0.010 118.677 118.700 -0.022 0.000 2.517 3256 N HA 0.107 4.847 4.740 0.000 0.000 0.285 3256 N C -0.009 175.499 175.510 -0.004 0.000 1.528 3256 N CA -0.862 52.157 53.050 -0.052 0.000 0.892 3256 N CB -0.457 38.045 38.487 0.024 0.000 1.356 3256 N HN 0.852 nan 8.380 nan 0.000 0.495 3257 Y N -1.260 119.054 120.300 0.024 0.000 2.478 3257 Y HA 0.333 4.883 4.550 0.000 0.000 0.261 3257 Y C 0.098 175.997 175.900 -0.002 0.000 1.127 3257 Y CA -1.108 57.002 58.100 0.017 0.000 1.288 3257 Y CB -0.285 38.168 38.460 -0.011 0.000 1.084 3257 Y HN 0.016 nan 8.280 nan 0.000 0.530 3258 D N 1.303 121.489 120.400 -0.358 0.000 2.360 3258 D HA 0.087 4.727 4.640 0.000 0.000 0.242 3258 D C 1.332 177.594 176.300 -0.064 0.000 1.184 3258 D CA 0.479 54.365 54.000 -0.189 0.000 0.930 3258 D CB 1.779 42.408 40.800 -0.285 0.000 1.161 3258 D HN 0.270 nan 8.370 nan 0.000 0.447 3259 A N 1.596 124.399 122.820 -0.028 0.000 1.908 3259 A HA -0.255 4.065 4.320 0.000 0.000 0.218 3259 A C 2.153 179.726 177.584 -0.018 0.000 1.181 3259 A CA 2.042 54.074 52.037 -0.008 0.000 0.627 3259 A CB -0.702 18.297 19.000 -0.002 0.000 0.818 3259 A HN 0.766 nan 8.150 nan 0.000 0.445 3260 K N -0.238 120.140 120.400 -0.037 0.000 2.009 3260 K HA -0.146 4.174 4.320 0.000 0.000 0.210 3260 K C 2.238 178.819 176.600 -0.030 0.000 1.049 3260 K CA 1.805 58.072 56.287 -0.034 0.000 0.929 3260 K CB -0.259 32.214 32.500 -0.045 0.000 0.714 3260 K HN 0.431 nan 8.250 nan 0.000 0.440 3261 S N 0.474 116.144 115.700 -0.050 0.000 2.382 3261 S HA -0.107 4.363 4.470 0.000 0.000 0.228 3261 S C 1.956 176.554 174.600 -0.003 0.000 1.027 3261 S CA 1.262 59.441 58.200 -0.036 0.000 0.991 3261 S CB -0.142 63.017 63.200 -0.068 0.000 0.823 3261 S HN 0.149 nan 8.310 nan 0.000 0.469 3262 V N 1.978 121.895 119.914 0.005 0.000 2.407 3262 V HA -0.212 3.908 4.120 0.000 0.000 0.248 3262 V C 2.603 178.713 176.094 0.028 0.000 1.055 3262 V CA 1.661 63.980 62.300 0.031 0.000 1.049 3262 V CB -1.206 30.641 31.823 0.040 0.000 0.662 3262 V HN 0.538 nan 8.190 nan 0.000 0.455 3263 A N -0.225 122.604 122.820 0.015 0.000 1.858 3263 A HA -0.254 4.066 4.320 0.000 0.000 0.216 3263 A C 2.164 179.758 177.584 0.016 0.000 1.190 3263 A CA 1.903 53.949 52.037 0.015 0.000 0.617 3263 A CB -0.560 18.444 19.000 0.007 0.000 0.827 3263 A HN 0.593 nan 8.150 nan 0.000 0.443 3264 E N -0.285 119.922 120.200 0.011 0.000 2.118 3264 E HA -0.163 4.187 4.350 0.000 0.000 0.195 3264 E C 2.246 178.859 176.600 0.022 0.000 0.992 3264 E CA 1.008 57.415 56.400 0.012 0.000 0.804 3264 E CB -0.287 29.416 29.700 0.005 0.000 0.741 3264 E HN 0.638 nan 8.360 nan 0.000 0.458 3265 A N 1.694 124.532 122.820 0.029 0.000 1.873 3265 A HA -0.198 4.122 4.320 0.000 0.000 0.215 3265 A C 1.923 179.535 177.584 0.046 0.000 1.186 3265 A CA 1.357 53.420 52.037 0.043 0.000 0.616 3265 A CB -0.244 18.791 19.000 0.058 0.000 0.823 3265 A HN 0.049 nan 8.150 nan 0.000 0.442 3266 K N 0.019 120.446 120.400 0.044 0.000 2.147 3266 K HA -0.042 4.278 4.320 0.000 0.000 0.205 3266 K C 2.156 178.777 176.600 0.035 0.000 1.049 3266 K CA 0.984 57.297 56.287 0.043 0.000 0.936 3266 K CB -0.349 32.174 32.500 0.039 0.000 0.722 3266 K HN 0.431 nan 8.250 nan 0.000 0.446 3267 A N 2.355 125.191 122.820 0.028 0.000 1.978 3267 A HA -0.203 4.117 4.320 0.000 0.000 0.220 3267 A C 1.899 179.496 177.584 0.023 0.000 1.170 3267 A CA 1.424 53.474 52.037 0.022 0.000 0.636 3267 A CB -0.377 18.633 19.000 0.017 0.000 0.810 3267 A HN 0.518 nan 8.150 nan 0.000 0.448 3268 Q N -0.590 119.226 119.800 0.027 0.000 2.201 3268 Q HA 0.413 4.753 4.340 0.000 0.000 0.217 3268 Q C -0.571 175.447 176.000 0.030 0.000 0.860 3268 Q CA -0.187 55.631 55.803 0.025 0.000 0.984 3268 Q CB -0.159 28.593 28.738 0.023 0.000 1.095 3268 Q HN 0.507 nan 8.270 nan 0.000 0.477 3269 L N 4.041 125.285 121.223 0.036 0.000 2.264 3269 L HA 0.427 4.767 4.340 0.000 0.000 0.287 3269 L C -1.926 174.965 176.870 0.036 0.000 1.039 3269 L CA -2.081 52.785 54.840 0.043 0.000 0.829 3269 L CB 0.743 42.836 42.059 0.057 0.000 1.211 3269 L HN 0.089 nan 8.230 nan 0.000 0.427 3270 P HA -0.021 nan 4.420 nan 0.000 0.269 3270 P C -0.223 177.095 177.300 0.030 0.000 1.211 3270 P CA -0.347 62.768 63.100 0.025 0.000 0.781 3270 P CB 0.702 32.414 31.700 0.020 0.000 0.877 3271 A N 1.110 123.945 122.820 0.026 0.000 2.555 3271 A HA 0.384 4.704 4.320 0.000 0.000 0.233 3271 A C 1.467 179.069 177.584 0.030 0.000 1.060 3271 A CA 0.686 52.740 52.037 0.027 0.000 0.759 3271 A CB -1.344 17.670 19.000 0.023 0.000 0.995 3271 A HN 1.032 nan 8.150 nan 0.000 0.506 3272 G N 1.290 110.111 108.800 0.035 0.000 2.147 3272 G HA2 -0.169 3.791 3.960 0.000 0.000 0.244 3272 G HA3 -0.169 3.791 3.960 0.000 0.000 0.244 3272 G C 0.380 175.311 174.900 0.052 0.000 1.005 3272 G CA 0.380 45.504 45.100 0.039 0.000 0.713 3272 G HN 1.125 nan 8.290 nan 0.000 0.515 3273 S N 0.285 116.021 115.700 0.059 0.000 2.617 3273 S HA 0.532 5.002 4.470 0.000 0.000 0.269 3273 S C 0.669 175.329 174.600 0.100 0.000 1.292 3273 S CA -0.705 57.544 58.200 0.082 0.000 1.010 3273 S CB 0.840 64.089 63.200 0.082 0.000 0.944 3273 S HN 0.446 nan 8.310 nan 0.000 0.536 3274 N N 0.630 119.415 118.700 0.142 0.000 2.434 3274 N HA 0.307 5.047 4.740 0.000 0.000 0.266 3274 N C 0.550 176.133 175.510 0.122 0.000 1.223 3274 N CA -0.205 52.933 53.050 0.147 0.000 0.972 3274 N CB 0.298 38.923 38.487 0.230 0.000 1.207 3274 N HN 0.698 nan 8.380 nan 0.000 0.525 3275 G N -0.089 108.743 108.800 0.053 0.000 2.614 3275 G HA2 0.265 4.225 3.960 0.000 0.000 0.239 3275 G HA3 0.265 4.225 3.960 0.000 0.000 0.239 3275 G C 0.161 175.096 174.900 0.058 0.000 1.240 3275 G CA -0.315 44.801 45.100 0.025 0.000 0.842 3275 G HN 0.378 nan 8.290 nan 0.000 0.584 3276 L N 0.429 121.700 121.223 0.080 0.000 2.399 3276 L HA 0.482 4.822 4.340 0.000 0.000 0.266 3276 L C 0.528 177.464 176.870 0.108 0.000 1.114 3276 L CA -0.406 54.522 54.840 0.146 0.000 0.804 3276 L CB 1.495 43.635 42.059 0.134 0.000 1.146 3276 L HN 0.468 nan 8.230 nan 0.000 0.451 3277 M N 3.510 123.238 119.600 0.214 0.000 2.253 3277 M HA 0.520 5.000 4.480 0.000 0.000 0.314 3277 M C -1.365 175.060 176.300 0.209 0.000 1.019 3277 M CA -0.374 55.033 55.300 0.179 0.000 0.932 3277 M CB 1.537 34.327 32.600 0.317 0.000 1.606 3277 M HN 0.429 nan 8.290 nan 0.000 0.430 3278 I N 3.484 124.159 120.570 0.175 0.000 2.354 3278 I HA 0.253 4.423 4.170 0.000 0.000 0.292 3278 I C -0.693 175.565 176.117 0.235 0.000 0.989 3278 I CA -0.656 60.782 61.300 0.230 0.000 1.188 3278 I CB 1.609 39.777 38.000 0.280 0.000 1.342 3278 I HN 0.636 nan 8.210 nan 0.000 0.457 3279 D N 5.105 125.651 120.400 0.243 0.000 2.295 3279 D HA 0.127 4.767 4.640 0.000 0.000 0.248 3279 D C 0.418 176.903 176.300 0.309 0.000 1.154 3279 D CA 0.027 54.163 54.000 0.227 0.000 0.857 3279 D CB 0.729 41.670 40.800 0.236 0.000 1.117 3279 D HN 0.262 nan 8.370 nan 0.000 0.468 3280 Y N 1.810 122.108 120.300 -0.003 0.000 2.395 3280 Y HA 0.062 4.612 4.550 0.000 0.000 0.293 3280 Y C 1.796 177.649 175.900 -0.080 0.000 1.123 3280 Y CA 0.120 58.169 58.100 -0.085 0.000 1.227 3280 Y CB -0.542 37.855 38.460 -0.104 0.000 1.012 3280 Y HN 0.296 nan 8.280 nan 0.000 0.552 3281 S N -2.034 113.730 115.700 0.107 0.000 2.566 3281 S HA 0.315 4.785 4.470 0.000 0.000 0.277 3281 S C -0.086 174.515 174.600 0.001 0.000 1.150 3281 S CA 0.146 58.310 58.200 -0.061 0.000 1.032 3281 S CB 0.126 63.136 63.200 -0.317 0.000 1.157 3281 S HN 0.541 nan 8.310 nan 0.000 0.507 3282 H N -0.585 118.529 119.070 0.072 0.000 1.452 3282 H HA -0.254 4.302 4.556 0.000 0.000 0.090 3282 H C 1.560 176.933 175.328 0.075 0.000 0.968 3282 H CA 1.317 57.408 56.048 0.072 0.000 1.901 3282 H CB -1.572 28.235 29.762 0.075 0.000 2.257 3282 H HN 0.694 nan 8.280 nan 0.000 0.961 3283 G N -0.306 108.643 108.800 0.249 0.000 2.469 3283 G HA2 -0.340 3.620 3.960 0.000 0.000 0.219 3283 G HA3 -0.340 3.620 3.960 0.000 0.000 0.219 3283 G C 1.371 176.365 174.900 0.157 0.000 1.150 3283 G CA 1.381 46.579 45.100 0.163 0.000 0.763 3283 G HN 0.556 nan 8.290 nan 0.000 0.561 3284 N N 0.503 119.313 118.700 0.183 0.000 2.459 3284 N HA -0.065 4.675 4.740 0.000 0.000 0.181 3284 N C 2.231 177.808 175.510 0.111 0.000 1.046 3284 N CA 1.183 54.364 53.050 0.219 0.000 0.904 3284 N CB 0.026 38.663 38.487 0.250 0.000 0.964 3284 N HN 0.460 nan 8.380 nan 0.000 0.444 3285 S N -0.364 115.369 115.700 0.055 0.000 2.577 3285 S HA 0.116 4.586 4.470 0.000 0.000 0.219 3285 S C 0.245 174.853 174.600 0.014 0.000 0.962 3285 S CA -0.451 57.741 58.200 -0.012 0.000 0.921 3285 S CB 0.053 63.237 63.200 -0.027 0.000 0.789 3285 S HN 0.052 nan 8.310 nan 0.000 0.497 3286 N N 2.680 121.415 118.700 0.058 0.000 2.735 3286 N HA -0.167 4.573 4.740 0.000 0.000 0.248 3286 N C -0.636 174.894 175.510 0.034 0.000 1.083 3286 N CA 1.251 54.331 53.050 0.049 0.000 0.703 3286 N CB -1.967 36.541 38.487 0.036 0.000 1.005 3286 N HN 0.771 nan 8.380 nan 0.000 0.550 3287 K N -1.817 118.611 120.400 0.046 0.000 3.096 3287 K HA -0.231 4.089 4.320 0.000 0.000 0.266 3287 K C -0.677 175.941 176.600 0.030 0.000 1.043 3287 K CA 1.133 57.449 56.287 0.048 0.000 0.758 3287 K CB -0.916 31.618 32.500 0.058 0.000 1.260 3287 K HN 0.478 nan 8.250 nan 0.000 0.481 3288 D N -0.054 120.346 120.400 0.000 0.000 2.616 3288 D HA 0.130 4.770 4.640 0.000 0.000 0.238 3288 D C 0.687 176.929 176.300 -0.097 0.000 1.354 3288 D CA -0.856 53.109 54.000 -0.058 0.000 0.970 3288 D CB 0.551 41.279 40.800 -0.121 0.000 1.369 3288 D HN 0.035 nan 8.370 nan 0.000 0.585 3289 F N 3.467 123.393 119.950 -0.040 0.000 2.250 3289 F HA -0.018 4.509 4.527 0.000 0.000 0.301 3289 F C 1.676 177.451 175.800 -0.041 0.000 1.077 3289 F CA 0.805 58.776 58.000 -0.049 0.000 1.348 3289 F CB -0.309 38.664 39.000 -0.044 0.000 1.040 3289 F HN 0.207 nan 8.300 nan 0.000 0.509 3290 R N 0.852 120.759 120.500 -0.988 0.000 2.193 3290 R HA -0.084 4.256 4.340 0.000 0.000 0.229 3290 R C 1.529 177.656 176.300 -0.288 0.000 1.110 3290 R CA 1.503 57.198 56.100 -0.674 0.000 0.988 3290 R CB -0.661 29.221 30.300 -0.696 0.000 0.871 3290 R HN 0.562 nan 8.270 nan 0.000 0.458 3291 N N 0.263 118.827 118.700 -0.227 0.000 2.412 3291 N HA -0.067 4.673 4.740 0.000 0.000 0.184 3291 N C 1.194 176.602 175.510 -0.170 0.000 1.101 3291 N CA 0.093 53.043 53.050 -0.167 0.000 0.881 3291 N CB 0.212 38.619 38.487 -0.134 0.000 0.969 3291 N HN 0.346 nan 8.380 nan 0.000 0.459 3292 Q N 1.041 120.776 119.800 -0.108 0.000 2.061 3292 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 3292 Q C -0.717 175.213 176.000 -0.117 0.000 0.984 3292 Q CA 1.296 57.061 55.803 -0.065 0.000 0.846 3292 Q CB -0.847 27.938 28.738 0.077 0.000 0.902 3292 Q HN 0.419 nan 8.270 nan 0.000 0.421 3293 P HA -0.139 nan 4.420 nan 0.000 0.221 3293 P C 0.511 177.715 177.300 -0.160 0.000 1.150 3293 P CA 1.291 64.342 63.100 -0.082 0.000 0.800 3293 P CB 0.000 31.673 31.700 -0.046 0.000 0.787 3294 K N -0.272 120.020 120.400 -0.181 0.000 2.148 3294 K HA -0.015 4.305 4.320 0.000 0.000 0.204 3294 K C 2.068 178.495 176.600 -0.288 0.000 1.050 3294 K CA 0.891 57.071 56.287 -0.179 0.000 0.942 3294 K CB -0.474 31.943 32.500 -0.139 0.000 0.724 3294 K HN 0.024 nan 8.250 nan 0.000 0.446 3295 V N 1.789 121.405 119.914 -0.497 0.000 2.548 3295 V HA -0.193 3.927 4.120 0.000 0.000 0.249 3295 V C 1.990 177.584 176.094 -0.832 0.000 1.055 3295 V CA 1.573 63.343 62.300 -0.883 0.000 1.065 3295 V CB -0.570 30.561 31.823 -1.153 0.000 0.681 3295 V HN 0.355 nan 8.190 nan 0.000 0.462 3296 N N 0.753 119.002 118.700 -0.753 0.000 2.104 3296 N HA -0.189 4.551 4.740 0.000 0.000 0.190 3296 N C 1.485 176.856 175.510 -0.232 0.000 1.024 3296 N CA 1.816 54.564 53.050 -0.503 0.000 0.853 3296 N CB -0.210 38.222 38.487 -0.091 0.000 1.008 3296 N HN 0.440 nan 8.380 nan 0.000 0.424 3297 D N -0.298 119.994 120.400 -0.181 0.000 2.087 3297 D HA -0.127 4.513 4.640 0.000 0.000 0.192 3297 D C 2.073 178.333 176.300 -0.066 0.000 0.993 3297 D CA 1.246 55.190 54.000 -0.094 0.000 0.828 3297 D CB -0.653 40.102 40.800 -0.074 0.000 0.968 3297 D HN 0.114 nan 8.370 nan 0.000 0.448 3298 V N 0.917 120.794 119.914 -0.062 0.000 2.392 3298 V HA -0.204 3.916 4.120 0.000 0.000 0.249 3298 V C 2.637 178.747 176.094 0.026 0.000 1.059 3298 V CA 1.081 63.397 62.300 0.026 0.000 1.051 3298 V CB -0.492 31.436 31.823 0.174 0.000 0.658 3298 V HN 0.048 nan 8.190 nan 0.000 0.455 3299 V N -1.457 118.435 119.914 -0.036 0.000 2.379 3299 V HA -0.221 3.899 4.120 0.000 0.000 0.245 3299 V C 2.520 178.630 176.094 0.026 0.000 1.044 3299 V CA 1.957 64.263 62.300 0.010 0.000 1.036 3299 V CB -0.564 31.249 31.823 -0.017 0.000 0.664 3299 V HN 0.619 nan 8.190 nan 0.000 0.453 3300 C N -0.020 119.283 119.300 0.006 0.000 2.413 3300 C HA -0.193 4.267 4.460 0.000 0.000 0.276 3300 C C 2.784 177.782 174.990 0.012 0.000 1.248 3300 C CA 1.596 60.625 59.018 0.018 0.000 1.742 3300 C CB -0.841 26.903 27.740 0.006 0.000 2.017 3300 C HN 0.735 nan 8.230 nan 0.000 0.481 3301 E N 0.495 120.698 120.200 0.006 0.000 2.049 3301 E HA -0.310 4.040 4.350 0.000 0.000 0.198 3301 E C 2.106 178.714 176.600 0.013 0.000 1.007 3301 E CA 1.747 58.151 56.400 0.007 0.000 0.809 3301 E CB -0.226 29.477 29.700 0.006 0.000 0.749 3301 E HN 0.685 nan 8.360 nan 0.000 0.450 3302 Q N 0.195 120.008 119.800 0.021 0.000 2.030 3302 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 3302 Q C 2.459 178.473 176.000 0.023 0.000 0.986 3302 Q CA 1.911 57.728 55.803 0.024 0.000 0.843 3302 Q CB -0.211 28.548 28.738 0.035 0.000 0.904 3302 Q HN 0.439 nan 8.270 nan 0.000 0.420 3303 I N 0.721 121.308 120.570 0.027 0.000 2.208 3303 I HA -0.312 3.858 4.170 0.000 0.000 0.245 3303 I C 2.426 178.551 176.117 0.014 0.000 1.097 3303 I CA 1.063 62.377 61.300 0.023 0.000 1.363 3303 I CB -0.469 37.547 38.000 0.027 0.000 1.051 3303 I HN 0.198 nan 8.210 nan 0.000 0.413 3304 A N 0.721 123.548 122.820 0.012 0.000 1.972 3304 A HA -0.169 4.151 4.320 0.000 0.000 0.219 3304 A C 1.819 179.407 177.584 0.006 0.000 1.169 3304 A CA 1.592 53.633 52.037 0.007 0.000 0.635 3304 A CB -0.547 18.456 19.000 0.004 0.000 0.810 3304 A HN 0.442 nan 8.150 nan 0.000 0.446 3305 N N -0.679 118.026 118.700 0.008 0.000 2.449 3305 N HA 0.151 4.891 4.740 0.000 0.000 0.191 3305 N C 1.017 176.532 175.510 0.008 0.000 1.161 3305 N CA 1.035 54.089 53.050 0.007 0.000 0.863 3305 N CB 0.484 38.975 38.487 0.007 0.000 0.980 3305 N HN 0.675 nan 8.380 nan 0.000 0.458 3306 G N 0.866 109.672 108.800 0.009 0.000 2.184 3306 G HA2 -0.250 3.710 3.960 0.000 0.000 0.206 3306 G HA3 -0.250 3.710 3.960 0.000 0.000 0.206 3306 G C -0.066 174.841 174.900 0.012 0.000 0.995 3306 G CA -0.235 44.870 45.100 0.009 0.000 0.651 3306 G HN 0.345 nan 8.290 nan 0.000 0.511 3307 E N 1.352 121.562 120.200 0.015 0.000 2.292 3307 E HA 0.325 4.675 4.350 0.000 0.000 0.265 3307 E C 1.192 177.804 176.600 0.019 0.000 1.093 3307 E CA 0.010 56.421 56.400 0.020 0.000 0.922 3307 E CB 0.034 29.749 29.700 0.026 0.000 1.001 3307 E HN 0.278 nan 8.360 nan 0.000 0.444 3308 N N 3.630 122.340 118.700 0.017 0.000 2.299 3308 N HA 0.048 4.788 4.740 0.000 0.000 0.187 3308 N C 0.692 176.212 175.510 0.017 0.000 1.099 3308 N CA 0.709 53.767 53.050 0.014 0.000 0.867 3308 N CB 0.541 39.035 38.487 0.012 0.000 0.974 3308 N HN 0.507 nan 8.380 nan 0.000 0.477 3309 A N 0.732 123.567 122.820 0.025 0.000 2.067 3309 A HA 0.124 4.444 4.320 0.000 0.000 0.217 3309 A C 1.079 178.684 177.584 0.035 0.000 1.156 3309 A CA 0.244 52.300 52.037 0.033 0.000 0.683 3309 A CB -0.152 18.872 19.000 0.041 0.000 0.808 3309 A HN 0.136 nan 8.150 nan 0.000 0.455 3310 I N 1.777 122.368 120.570 0.035 0.000 2.329 3310 I HA 0.059 4.229 4.170 0.000 0.000 0.295 3310 I C 1.231 177.353 176.117 0.008 0.000 1.109 3310 I CA 0.222 61.546 61.300 0.040 0.000 1.297 3310 I CB 1.006 39.042 38.000 0.059 0.000 1.433 3310 I HN 0.312 nan 8.210 nan 0.000 0.509 3311 T N 0.769 115.309 114.554 -0.024 0.000 3.023 3311 T HA 0.351 4.701 4.350 0.000 0.000 0.253 3311 T C 0.594 175.230 174.700 -0.107 0.000 1.038 3311 T CA -0.215 61.843 62.100 -0.069 0.000 0.962 3311 T CB 0.577 69.383 68.868 -0.103 0.000 1.018 3311 T HN 0.612 nan 8.240 nan 0.000 0.521 3312 G N 0.812 109.558 108.800 -0.089 0.000 2.704 3312 G HA2 0.601 4.561 3.960 0.000 0.000 0.293 3312 G HA3 0.601 4.561 3.960 0.000 0.000 0.293 3312 G C -1.436 173.427 174.900 -0.062 0.000 1.421 3312 G CA -0.316 44.714 45.100 -0.116 0.000 0.870 3312 G HN 0.825 nan 8.290 nan 0.000 0.492 3313 V N -1.977 117.853 119.914 -0.139 0.000 3.078 3313 V HA 0.898 5.018 4.120 0.000 0.000 0.311 3313 V C -0.432 175.482 176.094 -0.301 0.000 1.138 3313 V CA -1.321 60.846 62.300 -0.223 0.000 1.007 3313 V CB 2.042 33.599 31.823 -0.443 0.000 1.045 3313 V HN 0.799 nan 8.190 nan 0.000 0.432 3314 M N 3.346 122.750 119.600 -0.326 0.000 2.259 3314 M HA 0.672 5.152 4.480 0.000 0.000 0.304 3314 M C -1.386 174.732 176.300 -0.304 0.000 1.019 3314 M CA -0.214 54.944 55.300 -0.236 0.000 0.922 3314 M CB 2.196 34.768 32.600 -0.046 0.000 1.600 3314 M HN 0.610 nan 8.290 nan 0.000 0.433 3315 I N 1.911 122.321 120.570 -0.267 0.000 2.498 3315 I HA 0.335 4.505 4.170 0.000 0.000 0.290 3315 I C -0.402 175.639 176.117 -0.126 0.000 1.032 3315 I CA -0.670 60.511 61.300 -0.198 0.000 1.073 3315 I CB 2.300 40.170 38.000 -0.216 0.000 1.251 3315 I HN 0.646 nan 8.210 nan 0.000 0.426 3316 E N 4.623 124.764 120.200 -0.099 0.000 2.014 3316 E HA 0.333 4.683 4.350 0.000 0.000 0.275 3316 E C -0.695 175.866 176.600 -0.066 0.000 0.997 3316 E CA -0.282 56.050 56.400 -0.114 0.000 0.804 3316 E CB 1.481 31.088 29.700 -0.156 0.000 1.090 3316 E HN 0.575 nan 8.360 nan 0.000 0.401 3317 S N 3.778 119.444 115.700 -0.058 0.000 2.570 3317 S HA 0.555 5.025 4.470 0.000 0.000 0.286 3317 S C -0.726 173.825 174.600 -0.081 0.000 1.099 3317 S CA -0.750 57.463 58.200 0.020 0.000 0.913 3317 S CB 1.922 65.219 63.200 0.161 0.000 1.085 3317 S HN 0.383 nan 8.310 nan 0.000 0.480 3318 N N 1.032 119.743 118.700 0.018 0.000 3.157 3318 N HA 0.495 5.235 4.740 0.000 0.000 0.291 3318 N C 1.021 176.686 175.510 0.259 0.000 1.515 3318 N CA -0.720 52.278 53.050 -0.087 0.000 0.807 3318 N CB 1.184 39.577 38.487 -0.156 0.000 1.672 3318 N HN 0.672 nan 8.380 nan 0.000 0.592 3319 I N 0.319 121.005 120.570 0.194 0.000 2.179 3319 I HA -0.167 4.003 4.170 0.000 0.000 0.242 3319 I C 0.193 176.411 176.117 0.168 0.000 1.088 3319 I CA 1.091 62.523 61.300 0.221 0.000 1.357 3319 I CB -0.134 37.904 38.000 0.063 0.000 1.051 3319 I HN 0.297 nan 8.210 nan 0.000 0.409 3320 N N 0.844 119.576 118.700 0.053 0.000 2.292 3320 N HA 0.223 4.963 4.740 0.000 0.000 0.303 3320 N C -0.749 174.718 175.510 -0.072 0.000 1.140 3320 N CA -0.513 52.549 53.050 0.019 0.000 0.788 3320 N CB 1.492 39.984 38.487 0.008 0.000 1.361 3320 N HN 0.195 nan 8.380 nan 0.000 0.489 3321 E N -0.105 120.023 120.200 -0.120 0.000 2.369 3321 E HA 0.504 4.854 4.350 0.000 0.000 0.255 3321 E C 0.744 177.032 176.600 -0.520 0.000 1.172 3321 E CA -0.565 55.622 56.400 -0.355 0.000 0.932 3321 E CB 0.321 29.843 29.700 -0.297 0.000 1.040 3321 E HN 0.644 nan 8.360 nan 0.000 0.454 3322 G N 1.063 109.206 108.800 -1.095 0.000 2.598 3322 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 3322 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 3322 G C -0.593 174.092 174.900 -0.359 0.000 1.302 3322 G CA 0.118 44.758 45.100 -0.767 0.000 0.903 3322 G HN 1.226 nan 8.290 nan 0.000 0.575 3323 N N -0.820 117.770 118.700 -0.183 0.000 2.972 3323 N HA 0.636 5.376 4.740 0.000 0.000 0.262 3323 N C -0.778 174.680 175.510 -0.087 0.000 1.478 3323 N CA 0.052 53.028 53.050 -0.123 0.000 0.841 3323 N CB 1.130 39.567 38.487 -0.083 0.000 1.512 3323 N HN 1.485 nan 8.380 nan 0.000 0.548 3324 Q N -1.119 118.625 119.800 -0.093 0.000 2.418 3324 Q HA 0.663 5.003 4.340 0.000 0.000 0.282 3324 Q C -0.848 175.097 176.000 -0.092 0.000 1.044 3324 Q CA -1.304 54.450 55.803 -0.081 0.000 0.813 3324 Q CB 1.782 30.466 28.738 -0.089 0.000 1.428 3324 Q HN 0.749 nan 8.270 nan 0.000 0.402 3325 G N 1.167 109.925 108.800 -0.069 0.000 2.528 3325 G HA2 0.525 4.485 3.960 0.000 0.000 0.289 3325 G HA3 0.525 4.485 3.960 0.000 0.000 0.289 3325 G C -0.434 174.409 174.900 -0.095 0.000 1.192 3325 G CA -1.002 44.057 45.100 -0.067 0.000 0.921 3325 G HN 0.591 nan 8.290 nan 0.000 0.512 3326 I N 2.798 123.309 120.570 -0.099 0.000 2.301 3326 I HA 0.193 4.363 4.170 0.000 0.000 0.292 3326 I C -1.383 174.689 176.117 -0.074 0.000 1.046 3326 I CA -1.440 59.789 61.300 -0.118 0.000 1.282 3326 I CB 1.302 39.216 38.000 -0.143 0.000 1.409 3326 I HN 0.336 nan 8.210 nan 0.000 0.484 3327 P HA 0.104 nan 4.420 nan 0.000 0.272 3327 P C 0.600 177.877 177.300 -0.038 0.000 1.240 3327 P CA -0.346 62.727 63.100 -0.044 0.000 0.791 3327 P CB 1.039 32.716 31.700 -0.039 0.000 0.978 3328 A N 1.534 124.339 122.820 -0.026 0.000 1.986 3328 A HA -0.240 4.080 4.320 0.000 0.000 0.220 3328 A C 1.928 179.499 177.584 -0.022 0.000 1.171 3328 A CA 2.013 54.038 52.037 -0.020 0.000 0.640 3328 A CB -1.063 17.929 19.000 -0.013 0.000 0.811 3328 A HN 0.653 nan 8.150 nan 0.000 0.451 3329 E N -0.903 119.283 120.200 -0.024 0.000 2.153 3329 E HA 0.313 4.663 4.350 0.000 0.000 0.194 3329 E C 1.358 177.941 176.600 -0.029 0.000 0.988 3329 E CA 0.806 57.193 56.400 -0.022 0.000 0.811 3329 E CB -0.380 29.308 29.700 -0.020 0.000 0.746 3329 E HN 0.931 nan 8.360 nan 0.000 0.466 3330 G N 0.112 108.886 108.800 -0.043 0.000 2.512 3330 G HA2 -0.311 3.649 3.960 0.000 0.000 0.210 3330 G HA3 -0.311 3.649 3.960 0.000 0.000 0.210 3330 G C 0.379 175.239 174.900 -0.067 0.000 1.295 3330 G CA -0.153 44.911 45.100 -0.059 0.000 0.934 3330 G HN 0.078 nan 8.290 nan 0.000 0.554 3331 K N 0.103 120.462 120.400 -0.069 0.000 2.144 3331 K HA -0.191 4.129 4.320 0.000 0.000 0.209 3331 K C 2.970 179.555 176.600 -0.025 0.000 1.047 3331 K CA 2.363 58.618 56.287 -0.052 0.000 0.927 3331 K CB -0.420 32.062 32.500 -0.030 0.000 0.716 3331 K HN 0.927 nan 8.250 nan 0.000 0.454 3332 A N 0.882 123.689 122.820 -0.021 0.000 2.032 3332 A HA -0.125 4.195 4.320 0.000 0.000 0.221 3332 A C 2.187 179.765 177.584 -0.011 0.000 1.165 3332 A CA 1.941 53.971 52.037 -0.011 0.000 0.645 3332 A CB -0.668 18.325 19.000 -0.011 0.000 0.807 3332 A HN 0.466 nan 8.150 nan 0.000 0.453 3333 G N -1.539 107.248 108.800 -0.021 0.000 3.189 3333 G HA2 0.395 4.355 3.960 0.000 0.000 0.225 3333 G HA3 0.395 4.355 3.960 0.000 0.000 0.225 3333 G C 0.271 175.157 174.900 -0.023 0.000 1.159 3333 G CA -0.346 44.742 45.100 -0.020 0.000 0.763 3333 G HN 0.243 nan 8.290 nan 0.000 0.549 3334 L N 0.933 122.142 121.223 -0.024 0.000 2.380 3334 L HA 0.306 4.646 4.340 0.000 0.000 0.273 3334 L C 0.239 177.120 176.870 0.018 0.000 1.138 3334 L CA -0.063 54.761 54.840 -0.025 0.000 0.832 3334 L CB 1.040 43.077 42.059 -0.037 0.000 1.124 3334 L HN 0.048 nan 8.230 nan 0.000 0.454 3335 K N 2.871 123.276 120.400 0.009 0.000 2.368 3335 K HA 0.075 4.395 4.320 0.000 0.000 0.282 3335 K C -0.427 176.219 176.600 0.077 0.000 1.035 3335 K CA -0.111 56.201 56.287 0.042 0.000 0.973 3335 K CB 0.283 32.791 32.500 0.014 0.000 0.957 3335 K HN 0.254 nan 8.250 nan 0.000 0.474 3336 Y N 1.594 121.890 120.300 -0.007 0.000 2.610 3336 Y HA 0.116 4.666 4.550 0.000 0.000 0.332 3336 Y C 1.379 177.275 175.900 -0.006 0.000 1.201 3336 Y CA 1.430 59.525 58.100 -0.008 0.000 1.465 3336 Y CB 0.514 38.963 38.460 -0.018 0.000 1.283 3336 Y HN 0.887 nan 8.280 nan 0.000 0.563 3337 G N 3.514 111.848 108.800 -0.776 0.000 2.203 3337 G HA2 -0.225 3.735 3.960 0.000 0.000 0.263 3337 G HA3 -0.225 3.735 3.960 0.000 0.000 0.263 3337 G C -0.806 173.967 174.900 -0.212 0.000 1.012 3337 G CA 0.360 45.134 45.100 -0.544 0.000 0.749 3337 G HN 0.731 nan 8.290 nan 0.000 0.512 3338 V N 0.458 120.293 119.914 -0.131 0.000 2.487 3338 V HA 0.647 4.767 4.120 0.000 0.000 0.298 3338 V C 0.937 176.990 176.094 -0.069 0.000 1.028 3338 V CA -0.153 62.090 62.300 -0.096 0.000 0.860 3338 V CB 1.686 33.460 31.823 -0.081 0.000 0.991 3338 V HN 0.602 nan 8.190 nan 0.000 0.427 3339 S N 4.296 119.940 115.700 -0.093 0.000 2.558 3339 S HA 0.111 4.581 4.470 0.000 0.000 0.291 3339 S C 1.005 175.512 174.600 -0.155 0.000 1.306 3339 S CA 0.101 58.252 58.200 -0.082 0.000 1.056 3339 S CB 0.152 63.299 63.200 -0.089 0.000 0.836 3339 S HN 0.716 nan 8.310 nan 0.000 0.504 3340 I N 1.836 122.255 120.570 -0.252 0.000 4.018 3340 I HA 0.227 4.397 4.170 0.000 0.000 0.337 3340 I C 0.844 176.893 176.117 -0.113 0.000 1.327 3340 I CA -0.173 60.941 61.300 -0.309 0.000 1.100 3340 I CB -0.364 37.239 38.000 -0.663 0.000 1.025 3340 I HN 0.658 nan 8.210 nan 0.000 0.396 3341 T N -2.239 112.305 114.554 -0.017 0.000 1.944 3341 T HA 0.295 4.645 4.350 0.000 0.000 0.177 3341 T C 0.225 174.952 174.700 0.045 0.000 0.694 3341 T CA -0.280 61.864 62.100 0.073 0.000 1.337 3341 T CB -0.245 68.725 68.868 0.170 0.000 3.196 3341 T HN -0.004 nan 8.240 nan 0.000 0.405 3342 D N 1.904 122.341 120.400 0.062 0.000 2.362 3342 D HA 0.545 5.185 4.640 0.000 0.000 0.242 3342 D C 0.070 176.358 176.300 -0.020 0.000 1.132 3342 D CA -0.038 53.984 54.000 0.036 0.000 0.907 3342 D CB 1.023 41.844 40.800 0.035 0.000 1.195 3342 D HN 0.776 nan 8.370 nan 0.000 0.429 3343 A N 1.111 123.926 122.820 -0.010 0.000 2.425 3343 A HA 0.380 4.700 4.320 0.000 0.000 0.249 3343 A C -0.051 177.462 177.584 -0.119 0.000 1.084 3343 A CA -0.295 51.691 52.037 -0.086 0.000 0.781 3343 A CB 0.229 19.261 19.000 0.054 0.000 1.019 3343 A HN 0.638 nan 8.150 nan 0.000 0.490 3344 C N 1.112 120.234 119.300 -0.296 0.000 2.771 3344 C HA 0.693 5.153 4.460 0.000 0.000 0.333 3344 C C 0.430 175.229 174.990 -0.318 0.000 1.267 3344 C CA -0.631 58.266 59.018 -0.201 0.000 1.721 3344 C CB 0.970 28.615 27.740 -0.160 0.000 2.222 3344 C HN 0.844 nan 8.230 nan 0.000 0.485 3345 I N 0.885 121.442 120.570 -0.022 0.000 2.713 3345 I HA 0.680 4.850 4.170 0.000 0.000 0.300 3345 I C 0.645 176.770 176.117 0.013 0.000 1.009 3345 I CA 0.048 61.406 61.300 0.096 0.000 1.305 3345 I CB 0.213 38.311 38.000 0.164 0.000 1.430 3345 I HN 0.708 nan 8.210 nan 0.000 0.546 3346 G N 2.345 111.171 108.800 0.043 0.000 2.621 3346 G HA2 0.028 3.988 3.960 0.000 0.000 0.271 3346 G HA3 0.028 3.988 3.960 0.000 0.000 0.271 3346 G C 0.194 175.189 174.900 0.158 0.000 1.236 3346 G CA -0.644 44.511 45.100 0.091 0.000 0.958 3346 G HN 1.047 nan 8.290 nan 0.000 0.512 3347 W N 0.051 121.387 121.300 0.060 0.000 2.354 3347 W HA -0.135 4.525 4.660 0.000 0.000 0.315 3347 W C 2.067 178.600 176.519 0.023 0.000 1.206 3347 W CA 1.797 59.173 57.345 0.052 0.000 1.290 3347 W CB 0.064 29.542 29.460 0.030 0.000 1.152 3347 W HN 0.676 nan 8.180 nan 0.000 0.489 3348 E N 0.010 120.180 120.200 -0.050 0.000 2.070 3348 E HA -0.217 4.133 4.350 0.000 0.000 0.197 3348 E C 2.071 178.551 176.600 -0.200 0.000 1.004 3348 E CA 2.889 59.203 56.400 -0.143 0.000 0.805 3348 E CB -1.050 28.658 29.700 0.013 0.000 0.744 3348 E HN 0.099 nan 8.360 nan 0.000 0.451 3349 T N 0.113 114.603 114.554 -0.106 0.000 2.788 3349 T HA -0.130 4.220 4.350 0.000 0.000 0.268 3349 T C 1.854 176.461 174.700 -0.156 0.000 1.044 3349 T CA 1.686 63.737 62.100 -0.082 0.000 1.139 3349 T CB -0.502 68.372 68.868 0.009 0.000 0.867 3349 T HN 0.223 nan 8.240 nan 0.000 0.454 3350 T N 2.087 116.491 114.554 -0.250 0.000 2.788 3350 T HA -0.086 4.264 4.350 0.000 0.000 0.268 3350 T C 1.917 176.346 174.700 -0.452 0.000 1.044 3350 T CA 1.101 63.005 62.100 -0.327 0.000 1.139 3350 T CB -0.230 68.408 68.868 -0.383 0.000 0.867 3350 T HN 0.550 nan 8.240 nan 0.000 0.454 3351 E N 0.937 120.755 120.200 -0.637 0.000 2.077 3351 E HA -0.155 4.195 4.350 0.000 0.000 0.193 3351 E C 2.053 178.501 176.600 -0.254 0.000 0.989 3351 E CA 1.230 57.336 56.400 -0.489 0.000 0.800 3351 E CB -0.139 29.288 29.700 -0.456 0.000 0.746 3351 E HN 0.438 nan 8.360 nan 0.000 0.452 3352 D N 0.402 120.682 120.400 -0.200 0.000 2.084 3352 D HA -0.137 4.503 4.640 0.000 0.000 0.194 3352 D C 2.122 178.366 176.300 -0.093 0.000 0.990 3352 D CA 0.807 54.737 54.000 -0.117 0.000 0.826 3352 D CB -0.483 40.265 40.800 -0.087 0.000 0.971 3352 D HN -0.004 nan 8.370 nan 0.000 0.453 3353 V N 1.010 120.869 119.914 -0.092 0.000 2.287 3353 V HA -0.230 3.890 4.120 0.000 0.000 0.248 3353 V C 2.602 178.670 176.094 -0.044 0.000 1.053 3353 V CA 1.315 63.590 62.300 -0.041 0.000 1.027 3353 V CB -0.481 31.336 31.823 -0.010 0.000 0.646 3353 V HN 0.211 nan 8.190 nan 0.000 0.447 3354 L N -0.854 120.310 121.223 -0.098 0.000 2.109 3354 L HA -0.126 4.214 4.340 0.000 0.000 0.207 3354 L C 2.760 179.588 176.870 -0.071 0.000 1.086 3354 L CA 1.451 56.236 54.840 -0.092 0.000 0.760 3354 L CB -0.586 41.393 42.059 -0.134 0.000 0.910 3354 L HN 0.243 nan 8.230 nan 0.000 0.437 3355 R N 0.595 121.046 120.500 -0.080 0.000 2.081 3355 R HA -0.166 4.174 4.340 0.000 0.000 0.235 3355 R C 2.729 179.005 176.300 -0.039 0.000 1.131 3355 R CA 1.812 57.877 56.100 -0.058 0.000 0.960 3355 R CB -0.563 29.700 30.300 -0.061 0.000 0.856 3355 R HN 0.313 nan 8.270 nan 0.000 0.436 3356 K N 1.498 121.876 120.400 -0.036 0.000 2.057 3356 K HA -0.079 4.241 4.320 0.000 0.000 0.207 3356 K C 1.945 178.539 176.600 -0.010 0.000 1.049 3356 K CA 1.467 57.741 56.287 -0.022 0.000 0.931 3356 K CB -1.032 31.456 32.500 -0.021 0.000 0.714 3356 K HN 0.210 nan 8.250 nan 0.000 0.440 3357 L N -0.269 120.953 121.223 -0.003 0.000 2.046 3357 L HA -0.123 4.217 4.340 0.000 0.000 0.208 3357 L C 2.935 179.802 176.870 -0.005 0.000 1.077 3357 L CA 1.519 56.365 54.840 0.011 0.000 0.747 3357 L CB -0.446 41.623 42.059 0.016 0.000 0.896 3357 L HN 0.485 nan 8.230 nan 0.000 0.432 3358 A N -0.362 122.447 122.820 -0.019 0.000 1.933 3358 A HA -0.184 4.136 4.320 0.000 0.000 0.218 3358 A C 2.423 179.999 177.584 -0.015 0.000 1.175 3358 A CA 1.637 53.662 52.037 -0.021 0.000 0.628 3358 A CB -0.687 18.297 19.000 -0.027 0.000 0.814 3358 A HN 0.537 nan 8.150 nan 0.000 0.444 3359 A N -0.097 122.715 122.820 -0.014 0.000 1.902 3359 A HA 0.164 4.484 4.320 0.000 0.000 0.217 3359 A C 2.502 180.082 177.584 -0.007 0.000 1.181 3359 A CA 2.036 54.066 52.037 -0.011 0.000 0.623 3359 A CB -1.019 17.973 19.000 -0.013 0.000 0.818 3359 A HN 1.076 nan 8.150 nan 0.000 0.443 3360 A N -0.638 122.180 122.820 -0.004 0.000 1.933 3360 A HA -0.015 4.305 4.320 0.000 0.000 0.218 3360 A C 2.182 179.767 177.584 0.001 0.000 1.175 3360 A CA 1.791 53.829 52.037 0.002 0.000 0.628 3360 A CB -0.829 18.177 19.000 0.009 0.000 0.814 3360 A HN 0.398 nan 8.150 nan 0.000 0.444 3361 V N -0.607 119.305 119.914 -0.002 0.000 2.515 3361 V HA -0.196 3.924 4.120 0.000 0.000 0.250 3361 V C 2.604 178.695 176.094 -0.006 0.000 1.058 3361 V CA 2.155 64.452 62.300 -0.005 0.000 1.064 3361 V CB -0.712 31.104 31.823 -0.011 0.000 0.675 3361 V HN 0.526 nan 8.190 nan 0.000 0.461 3362 R N -0.143 120.353 120.500 -0.006 0.000 2.090 3362 R HA -0.099 4.241 4.340 0.000 0.000 0.228 3362 R C 2.624 178.922 176.300 -0.004 0.000 1.110 3362 R CA 1.582 57.678 56.100 -0.006 0.000 0.973 3362 R CB -0.490 29.805 30.300 -0.007 0.000 0.869 3362 R HN 0.637 nan 8.270 nan 0.000 0.440 3363 Q N 0.883 120.681 119.800 -0.003 0.000 2.167 3363 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 3363 Q C 1.919 177.919 176.000 -0.000 0.000 0.970 3363 Q CA 1.795 57.597 55.803 -0.002 0.000 0.855 3363 Q CB -0.601 28.137 28.738 -0.001 0.000 0.911 3363 Q HN 0.400 nan 8.270 nan 0.000 0.438 3364 R N -0.398 120.102 120.500 0.001 0.000 2.090 3364 R HA -0.049 4.291 4.340 0.000 0.000 0.228 3364 R C 2.536 178.837 176.300 0.001 0.000 1.110 3364 R CA 0.987 57.088 56.100 0.002 0.000 0.973 3364 R CB -0.102 30.200 30.300 0.003 0.000 0.869 3364 R HN 0.518 nan 8.270 nan 0.000 0.440 3365 R N 0.300 120.799 120.500 -0.001 0.000 2.103 3365 R HA -0.141 4.199 4.340 0.000 0.000 0.242 3365 R C 2.020 178.320 176.300 -0.000 0.000 1.142 3365 R CA 1.482 57.581 56.100 -0.001 0.000 0.960 3365 R CB -0.194 30.104 30.300 -0.003 0.000 0.858 3365 R HN 0.297 nan 8.270 nan 0.000 0.439 3366 E N 0.411 120.611 120.200 -0.001 0.000 2.051 3366 E HA -0.122 4.228 4.350 0.000 0.000 0.192 3366 E C 2.140 178.741 176.600 0.001 0.000 0.991 3366 E CA 0.987 57.387 56.400 -0.000 0.000 0.799 3366 E CB -0.335 29.365 29.700 -0.001 0.000 0.748 3366 E HN 0.122 nan 8.360 nan 0.000 0.449 3367 V N 2.501 122.416 119.914 0.001 0.000 2.867 3367 V HA -0.170 3.950 4.120 0.000 0.000 0.260 3367 V C 1.068 177.163 176.094 0.003 0.000 1.099 3367 V CA 1.224 63.526 62.300 0.003 0.000 1.122 3367 V CB -0.469 31.357 31.823 0.003 0.000 0.708 3367 V HN 0.198 nan 8.190 nan 0.000 0.490 3368 N N -0.086 118.615 118.700 0.003 0.000 2.320 3368 N HA 0.121 4.861 4.740 0.000 0.000 0.237 3368 N C 0.415 175.927 175.510 0.003 0.000 1.129 3368 N CA 0.036 53.088 53.050 0.003 0.000 0.854 3368 N CB 0.423 38.912 38.487 0.003 0.000 1.083 3368 N HN 0.440 nan 8.380 nan 0.000 0.504 3369 K N 0.000 120.401 120.400 0.002 0.000 2.780 3369 K HA 0.000 4.320 4.320 0.000 0.000 0.191 3369 K CA 0.000 56.288 56.287 0.002 0.000 0.838 3369 K CB 0.000 32.501 32.500 0.001 0.000 1.064 3369 K HN 0.000 nan 8.250 nan 0.000 0.543