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 3lj6_1_B DATA FIRST_RESID 32 DATA SEQUENCE TGRQKARGAA TRARQKQRAS LETMDKAVQR FRLQNPDLDS EALLTLPLLQ DATA SEQUENCE LVQKLQSGEL SPEAVFFTYL GKAWEVNKGT NCVTSYLTDC ETQLSQAPRQ DATA SEQUENCE GLLYGVPVSL KECFSYKGHD STLGLSLNEG MPSESDCVVV QVLKLQGAVP DATA SEQUENCE FVHTNVPQSM FSYDCSNPLF GQTMNPWKSS KSPGGSSGGE GALIGSGGSP DATA SEQUENCE LGLGTDIGGS IRFPSAFCGI CGLKPTGNRL SKSGLKGCVY GQTAVQLSLG DATA SEQUENCE PMARDVESLA LCLKALLCEH LFTLDPTVPP LPFREEVYRS SRPLRVGYYE DATA SEQUENCE TDNYTMPSPA MRRALIETKQ RLEAAGHTLI PFLPNNIPYA LEVLSTGGLF DATA SEQUENCE SDGGRSFLQN FKGDFVDPCL GDLILILRLP SWFKRLLSLL LKPLFPRLAA DATA SEQUENCE FLNNMRPRSA EKLWKLQHEI EMYRQSVIAQ WKAMNLDVLL TPMLGPALDL DATA SEQUENCE NTPGRATGAV SYTMLYNCLD FPAGVVPVTT VTAEDDAQME LYKGYFGDIW DATA SEQUENCE DIILKKAMKN SVGLPVAVQC VALPWQEELC LRFMREVEQL MTP 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.653 174.700 -0.078 0.000 1.109 32 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 32 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 33 G N 0.852 109.605 108.800 -0.078 0.000 2.467 33 G HA2 0.547 4.506 3.960 -0.001 0.000 0.257 33 G HA3 0.547 4.506 3.960 -0.001 0.000 0.257 33 G C 0.317 175.133 174.900 -0.141 0.000 1.227 33 G CA -0.622 44.429 45.100 -0.082 0.000 0.835 33 G HN 0.226 nan 8.290 nan 0.000 0.556 34 R N 0.403 120.816 120.500 -0.145 0.000 2.600 34 R HA 0.084 4.423 4.340 -0.001 0.000 0.392 34 R C 1.718 177.950 176.300 -0.114 0.000 1.032 34 R CA -0.429 55.520 56.100 -0.251 0.000 1.139 34 R CB 0.382 30.434 30.300 -0.412 0.000 1.400 34 R HN 0.735 nan 8.270 nan 0.000 0.566 35 Q N 2.018 121.783 119.800 -0.059 0.000 2.030 35 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 35 Q C 1.621 177.609 176.000 -0.020 0.000 0.986 35 Q CA 1.655 57.447 55.803 -0.018 0.000 0.843 35 Q CB 0.110 28.839 28.738 -0.016 0.000 0.904 35 Q HN 0.196 nan 8.270 nan 0.000 0.420 36 K N -0.213 120.160 120.400 -0.045 0.000 2.020 36 K HA -0.165 4.154 4.320 -0.001 0.000 0.212 36 K C 2.036 178.616 176.600 -0.035 0.000 1.050 36 K CA 1.552 57.814 56.287 -0.041 0.000 0.929 36 K CB -0.248 32.219 32.500 -0.056 0.000 0.714 36 K HN 0.261 nan 8.250 nan 0.000 0.443 37 A N 1.273 124.053 122.820 -0.066 0.000 1.930 37 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 37 A C 2.106 179.761 177.584 0.119 0.000 1.175 37 A CA 1.263 53.285 52.037 -0.025 0.000 0.627 37 A CB -0.402 18.481 19.000 -0.195 0.000 0.815 37 A HN 0.330 nan 8.150 nan 0.000 0.443 38 R N -0.971 119.619 120.500 0.150 0.000 2.075 38 R HA -0.095 4.244 4.340 -0.001 0.000 0.232 38 R C 2.391 178.732 176.300 0.068 0.000 1.126 38 R CA 1.107 57.308 56.100 0.169 0.000 0.963 38 R CB -0.566 29.828 30.300 0.156 0.000 0.858 38 R HN 0.537 nan 8.270 nan 0.000 0.435 39 G N 0.519 109.342 108.800 0.038 0.000 2.422 39 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 39 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 39 G C 1.520 176.421 174.900 0.002 0.000 1.146 39 G CA 0.758 45.867 45.100 0.015 0.000 0.769 39 G HN 0.403 nan 8.290 nan 0.000 0.547 40 A N 1.170 123.988 122.820 -0.003 0.000 1.902 40 A HA 0.249 4.569 4.320 -0.001 0.000 0.217 40 A C 2.797 180.346 177.584 -0.060 0.000 1.181 40 A CA 2.290 54.310 52.037 -0.028 0.000 0.623 40 A CB -0.730 18.249 19.000 -0.034 0.000 0.818 40 A HN 0.740 nan 8.150 nan 0.000 0.443 41 A N -1.152 121.643 122.820 -0.042 0.000 1.898 41 A HA -0.031 4.289 4.320 -0.001 0.000 0.216 41 A C 2.295 179.837 177.584 -0.070 0.000 1.181 41 A CA 2.157 54.140 52.037 -0.089 0.000 0.620 41 A CB -1.255 17.716 19.000 -0.048 0.000 0.819 41 A HN 0.418 nan 8.150 nan 0.000 0.442 42 T N -0.011 114.528 114.554 -0.025 0.000 2.635 42 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 42 T C 2.076 176.774 174.700 -0.003 0.000 1.040 42 T CA 1.804 63.899 62.100 -0.009 0.000 1.156 42 T CB -0.265 68.606 68.868 0.005 0.000 0.863 42 T HN 0.517 nan 8.240 nan 0.000 0.430 43 R N 0.781 121.277 120.500 -0.006 0.000 2.075 43 R HA 0.087 4.427 4.340 -0.001 0.000 0.232 43 R C 2.868 179.180 176.300 0.021 0.000 1.126 43 R CA 1.156 57.263 56.100 0.011 0.000 0.963 43 R CB -0.483 29.823 30.300 0.010 0.000 0.858 43 R HN 0.367 nan 8.270 nan 0.000 0.435 44 A N 1.391 124.188 122.820 -0.039 0.000 1.877 44 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 44 A C 2.124 179.750 177.584 0.071 0.000 1.186 44 A CA 1.371 53.371 52.037 -0.061 0.000 0.620 44 A CB -0.390 18.325 19.000 -0.475 0.000 0.822 44 A HN 0.204 nan 8.150 nan 0.000 0.443 45 R N -1.181 119.323 120.500 0.007 0.000 2.096 45 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 45 R C 2.493 178.859 176.300 0.110 0.000 1.127 45 R CA 1.593 57.745 56.100 0.086 0.000 0.968 45 R CB -0.255 30.065 30.300 0.034 0.000 0.861 45 R HN 0.625 nan 8.270 nan 0.000 0.440 46 Q N 1.271 121.120 119.800 0.081 0.000 2.050 46 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 46 Q C 1.512 177.580 176.000 0.113 0.000 0.980 46 Q CA 1.820 57.673 55.803 0.083 0.000 0.840 46 Q CB 0.064 28.839 28.738 0.061 0.000 0.898 46 Q HN 0.113 nan 8.270 nan 0.000 0.424 47 K N -0.193 120.289 120.400 0.136 0.000 2.057 47 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 47 K C 2.147 178.860 176.600 0.190 0.000 1.049 47 K CA 1.513 57.896 56.287 0.159 0.000 0.931 47 K CB -0.165 32.441 32.500 0.177 0.000 0.714 47 K HN 0.373 nan 8.250 nan 0.000 0.440 48 Q N 0.888 120.831 119.800 0.237 0.000 2.020 48 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 48 Q C 2.248 178.342 176.000 0.156 0.000 0.982 48 Q CA 1.620 57.544 55.803 0.202 0.000 0.838 48 Q CB -0.040 28.860 28.738 0.271 0.000 0.899 48 Q HN 0.181 nan 8.270 nan 0.000 0.423 49 R N -0.358 120.228 120.500 0.144 0.000 2.091 49 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 49 R C 2.110 178.490 176.300 0.133 0.000 1.136 49 R CA 1.447 57.622 56.100 0.125 0.000 0.959 49 R CB -0.338 30.023 30.300 0.102 0.000 0.856 49 R HN 0.373 nan 8.270 nan 0.000 0.437 50 A N -0.378 122.520 122.820 0.130 0.000 1.897 50 A HA -0.081 4.238 4.320 -0.001 0.000 0.215 50 A C 2.196 179.873 177.584 0.155 0.000 1.181 50 A CA 1.624 53.737 52.037 0.127 0.000 0.620 50 A CB -0.514 18.554 19.000 0.113 0.000 0.821 50 A HN 0.388 nan 8.150 nan 0.000 0.443 51 S N -0.089 115.719 115.700 0.181 0.000 2.359 51 S HA -0.129 4.340 4.470 -0.001 0.000 0.224 51 S C 1.845 176.560 174.600 0.193 0.000 1.035 51 S CA 1.610 59.951 58.200 0.235 0.000 1.018 51 S CB -0.471 62.875 63.200 0.244 0.000 0.876 51 S HN 0.515 nan 8.310 nan 0.000 0.448 52 L N 0.895 122.231 121.223 0.189 0.000 2.093 52 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 52 L C 2.632 179.659 176.870 0.261 0.000 1.085 52 L CA 1.372 56.373 54.840 0.268 0.000 0.755 52 L CB -0.534 41.684 42.059 0.264 0.000 0.904 52 L HN 0.286 nan 8.230 nan 0.000 0.435 53 E N 0.278 120.590 120.200 0.187 0.000 2.051 53 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 53 E C 2.003 178.615 176.600 0.020 0.000 0.991 53 E CA 2.039 58.502 56.400 0.106 0.000 0.799 53 E CB -0.161 29.600 29.700 0.103 0.000 0.748 53 E HN 0.266 nan 8.360 nan 0.000 0.449 54 T N 0.470 115.061 114.554 0.062 0.000 2.788 54 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 54 T C 1.843 176.502 174.700 -0.067 0.000 1.044 54 T CA 1.697 63.836 62.100 0.065 0.000 1.139 54 T CB -0.230 68.764 68.868 0.209 0.000 0.867 54 T HN 0.194 nan 8.240 nan 0.000 0.454 55 M N 0.904 120.373 119.600 -0.218 0.000 2.086 55 M HA -0.094 4.386 4.480 -0.001 0.000 0.261 55 M C 2.303 178.379 176.300 -0.373 0.000 1.067 55 M CA 1.611 56.656 55.300 -0.425 0.000 1.116 55 M CB -0.389 31.986 32.600 -0.375 0.000 1.348 55 M HN 0.101 nan 8.290 nan 0.000 0.407 56 D N 0.461 120.545 120.400 -0.527 0.000 2.123 56 D HA -0.158 4.482 4.640 -0.001 0.000 0.196 56 D C 1.782 177.825 176.300 -0.427 0.000 0.992 56 D CA 1.554 55.068 54.000 -0.811 0.000 0.833 56 D CB 0.102 40.314 40.800 -0.979 0.000 0.954 56 D HN 0.200 nan 8.370 nan 0.000 0.455 57 K N -0.198 120.054 120.400 -0.247 0.000 2.057 57 K HA -0.011 4.309 4.320 -0.001 0.000 0.206 57 K C 2.191 178.721 176.600 -0.117 0.000 1.050 57 K CA 1.125 57.325 56.287 -0.146 0.000 0.935 57 K CB -0.170 32.287 32.500 -0.071 0.000 0.715 57 K HN 0.130 nan 8.250 nan 0.000 0.439 58 A N 0.904 123.677 122.820 -0.078 0.000 1.877 58 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 58 A C 2.355 179.865 177.584 -0.123 0.000 1.186 58 A CA 1.480 53.497 52.037 -0.033 0.000 0.620 58 A CB -0.749 18.365 19.000 0.189 0.000 0.822 58 A HN 0.074 nan 8.150 nan 0.000 0.443 59 V N 0.103 119.961 119.914 -0.094 0.000 2.332 59 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 59 V C 2.738 178.786 176.094 -0.076 0.000 1.055 59 V CA 2.147 64.403 62.300 -0.072 0.000 1.038 59 V CB -0.705 31.030 31.823 -0.147 0.000 0.651 59 V HN 0.567 nan 8.190 nan 0.000 0.450 60 Q N -0.640 119.074 119.800 -0.144 0.000 2.172 60 Q HA -0.111 4.229 4.340 -0.001 0.000 0.200 60 Q C 2.417 178.354 176.000 -0.106 0.000 0.964 60 Q CA 1.079 56.808 55.803 -0.124 0.000 0.855 60 Q CB -0.277 28.369 28.738 -0.153 0.000 0.918 60 Q HN 0.572 nan 8.270 nan 0.000 0.444 61 R N -0.214 120.216 120.500 -0.116 0.000 2.082 61 R HA -0.162 4.178 4.340 -0.001 0.000 0.234 61 R C 2.186 178.394 176.300 -0.153 0.000 1.136 61 R CA 1.600 57.624 56.100 -0.126 0.000 0.935 61 R CB -0.457 29.765 30.300 -0.130 0.000 0.842 61 R HN 0.193 nan 8.270 nan 0.000 0.430 62 F N 1.416 121.167 119.950 -0.332 0.000 2.126 62 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 62 F C 2.349 178.042 175.800 -0.179 0.000 1.096 62 F CA 1.585 59.379 58.000 -0.345 0.000 1.255 62 F CB -0.054 38.619 39.000 -0.545 0.000 0.997 62 F HN -0.113 nan 8.300 nan 0.000 0.479 63 R N 0.125 120.586 120.500 -0.064 0.000 2.081 63 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 63 R C 2.345 178.537 176.300 -0.180 0.000 1.131 63 R CA 1.669 57.709 56.100 -0.099 0.000 0.960 63 R CB -0.635 29.659 30.300 -0.010 0.000 0.856 63 R HN 0.373 nan 8.270 nan 0.000 0.436 64 L N 0.656 121.783 121.223 -0.161 0.000 2.079 64 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 64 L C 2.181 178.940 176.870 -0.186 0.000 1.081 64 L CA 1.546 56.298 54.840 -0.146 0.000 0.752 64 L CB -0.242 41.747 42.059 -0.117 0.000 0.896 64 L HN 0.310 nan 8.230 nan 0.000 0.433 65 Q N -0.787 118.850 119.800 -0.271 0.000 2.389 65 Q HA 0.019 4.358 4.340 -0.001 0.000 0.204 65 Q C 0.274 176.065 176.000 -0.348 0.000 0.944 65 Q CA 0.517 56.147 55.803 -0.288 0.000 0.908 65 Q CB 0.300 28.853 28.738 -0.309 0.000 1.002 65 Q HN 0.485 nan 8.270 nan 0.000 0.493 66 N N 0.819 119.244 118.700 -0.459 0.000 2.679 66 N HA 0.126 4.865 4.740 -0.001 0.000 0.302 66 N C -2.266 173.112 175.510 -0.220 0.000 1.941 66 N CA -0.642 52.172 53.050 -0.393 0.000 0.875 66 N CB 1.220 39.302 38.487 -0.676 0.000 1.278 66 N HN 0.134 nan 8.380 nan 0.000 0.490 67 P HA 0.017 nan 4.420 nan 0.000 0.233 67 P C 0.182 177.447 177.300 -0.058 0.000 1.167 67 P CA 0.946 63.990 63.100 -0.092 0.000 0.770 67 P CB 0.488 32.139 31.700 -0.081 0.000 0.837 68 D N -0.465 119.902 120.400 -0.056 0.000 2.349 68 D HA 0.081 4.720 4.640 -0.001 0.000 0.214 68 D C 0.636 176.928 176.300 -0.014 0.000 1.063 68 D CA -0.171 53.810 54.000 -0.032 0.000 0.847 68 D CB 0.045 40.827 40.800 -0.031 0.000 0.933 68 D HN 0.178 nan 8.370 nan 0.000 0.513 69 L N 1.704 122.924 121.223 -0.006 0.000 2.367 69 L HA 0.126 4.465 4.340 -0.001 0.000 0.275 69 L C 0.084 176.968 176.870 0.023 0.000 1.129 69 L CA -0.137 54.719 54.840 0.028 0.000 0.839 69 L CB 0.853 42.960 42.059 0.081 0.000 1.133 69 L HN -0.277 nan 8.230 nan 0.000 0.453 70 D N 2.248 122.659 120.400 0.018 0.000 2.470 70 D HA 0.049 4.688 4.640 -0.001 0.000 0.226 70 D C 1.190 177.490 176.300 0.000 0.000 1.196 70 D CA 0.629 54.633 54.000 0.006 0.000 0.979 70 D CB 0.628 41.430 40.800 0.003 0.000 1.059 70 D HN 0.733 nan 8.370 nan 0.000 0.515 71 S N 2.592 118.290 115.700 -0.003 0.000 2.368 71 S HA -0.211 4.258 4.470 -0.001 0.000 0.224 71 S C 1.764 176.323 174.600 -0.068 0.000 1.029 71 S CA 0.724 58.908 58.200 -0.028 0.000 0.988 71 S CB -0.158 63.030 63.200 -0.019 0.000 0.838 71 S HN 0.378 nan 8.310 nan 0.000 0.462 72 E N 2.312 122.480 120.200 -0.053 0.000 2.118 72 E HA -0.055 4.294 4.350 -0.001 0.000 0.195 72 E C 2.041 178.609 176.600 -0.053 0.000 0.992 72 E CA 1.459 57.823 56.400 -0.060 0.000 0.804 72 E CB -0.825 28.850 29.700 -0.040 0.000 0.741 72 E HN 0.637 nan 8.360 nan 0.000 0.458 73 A N 0.504 123.304 122.820 -0.034 0.000 1.898 73 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 73 A C 2.316 179.885 177.584 -0.025 0.000 1.181 73 A CA 1.368 53.392 52.037 -0.021 0.000 0.620 73 A CB -0.822 18.174 19.000 -0.007 0.000 0.819 73 A HN 0.412 nan 8.150 nan 0.000 0.442 74 L N -0.533 120.668 121.223 -0.036 0.000 2.017 74 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 74 L C 2.312 179.132 176.870 -0.083 0.000 1.073 74 L CA 1.486 56.303 54.840 -0.039 0.000 0.745 74 L CB -0.212 41.821 42.059 -0.043 0.000 0.894 74 L HN 0.408 nan 8.230 nan 0.000 0.432 75 L N -0.603 120.516 121.223 -0.174 0.000 2.275 75 L HA -0.133 4.206 4.340 -0.001 0.000 0.215 75 L C 2.312 179.123 176.870 -0.099 0.000 1.119 75 L CA 1.503 56.172 54.840 -0.285 0.000 0.790 75 L CB -0.627 41.229 42.059 -0.339 0.000 0.919 75 L HN 0.485 nan 8.230 nan 0.000 0.443 76 T N -3.501 111.025 114.554 -0.047 0.000 3.086 76 T HA 0.120 4.470 4.350 -0.001 0.000 0.250 76 T C 0.596 175.309 174.700 0.022 0.000 1.074 76 T CA -0.381 61.715 62.100 -0.007 0.000 0.988 76 T CB -0.031 68.829 68.868 -0.014 0.000 0.988 76 T HN -0.121 nan 8.240 nan 0.000 0.530 77 L N 3.646 124.887 121.223 0.030 0.000 2.513 77 L HA 0.347 4.687 4.340 -0.001 0.000 0.272 77 L C -2.170 174.737 176.870 0.061 0.000 1.187 77 L CA -2.134 52.732 54.840 0.044 0.000 0.895 77 L CB 0.178 42.266 42.059 0.048 0.000 1.147 77 L HN 0.063 nan 8.230 nan 0.000 0.483 78 P HA -0.024 nan 4.420 nan 0.000 0.269 78 P C 0.728 178.056 177.300 0.046 0.000 1.209 78 P CA -0.399 62.730 63.100 0.049 0.000 0.776 78 P CB 0.525 32.249 31.700 0.041 0.000 0.876 79 L N 3.737 124.982 121.223 0.036 0.000 2.129 79 L HA -0.185 4.154 4.340 -0.001 0.000 0.212 79 L C 1.814 178.692 176.870 0.013 0.000 1.087 79 L CA 1.825 56.674 54.840 0.014 0.000 0.757 79 L CB -1.249 40.801 42.059 -0.015 0.000 0.896 79 L HN 0.319 nan 8.230 nan 0.000 0.434 80 L N -0.887 120.348 121.223 0.020 0.000 2.056 80 L HA -0.209 4.131 4.340 -0.001 0.000 0.207 80 L C 2.541 179.428 176.870 0.029 0.000 1.078 80 L CA 1.725 56.579 54.840 0.023 0.000 0.749 80 L CB -0.383 41.696 42.059 0.033 0.000 0.901 80 L HN 0.410 nan 8.230 nan 0.000 0.433 81 Q N -1.317 118.503 119.800 0.033 0.000 2.172 81 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 81 Q C 2.163 178.186 176.000 0.038 0.000 0.964 81 Q CA 1.261 57.085 55.803 0.035 0.000 0.855 81 Q CB -0.208 28.551 28.738 0.034 0.000 0.918 81 Q HN 0.406 nan 8.270 nan 0.000 0.444 82 L N 0.223 121.470 121.223 0.040 0.000 1.989 82 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 82 L C 2.140 179.031 176.870 0.035 0.000 1.071 82 L CA 1.505 56.371 54.840 0.043 0.000 0.749 82 L CB -0.530 41.560 42.059 0.052 0.000 0.890 82 L HN -0.003 nan 8.230 nan 0.000 0.431 83 V N -0.712 119.217 119.914 0.026 0.000 2.332 83 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 83 V C 2.570 178.695 176.094 0.052 0.000 1.055 83 V CA 2.108 64.428 62.300 0.033 0.000 1.038 83 V CB -0.578 31.256 31.823 0.019 0.000 0.651 83 V HN 0.587 nan 8.190 nan 0.000 0.450 84 Q N -0.518 119.308 119.800 0.043 0.000 2.079 84 Q HA -0.191 4.148 4.340 -0.001 0.000 0.200 84 Q C 2.354 178.384 176.000 0.051 0.000 0.974 84 Q CA 1.464 57.294 55.803 0.044 0.000 0.840 84 Q CB -0.014 28.746 28.738 0.036 0.000 0.898 84 Q HN 0.592 nan 8.270 nan 0.000 0.430 85 K N -0.012 120.419 120.400 0.051 0.000 2.148 85 K HA -0.092 4.228 4.320 -0.001 0.000 0.204 85 K C 2.039 178.684 176.600 0.074 0.000 1.050 85 K CA 0.723 57.043 56.287 0.055 0.000 0.942 85 K CB 0.031 32.559 32.500 0.048 0.000 0.724 85 K HN 0.218 nan 8.250 nan 0.000 0.446 86 L N 0.718 121.993 121.223 0.087 0.000 2.056 86 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 86 L C 2.662 179.668 176.870 0.226 0.000 1.078 86 L CA 1.085 56.009 54.840 0.139 0.000 0.749 86 L CB -0.232 41.886 42.059 0.098 0.000 0.901 86 L HN 0.133 nan 8.230 nan 0.000 0.433 87 Q N -0.000 119.898 119.800 0.163 0.000 2.167 87 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 87 Q C 2.299 178.328 176.000 0.049 0.000 0.970 87 Q CA 1.887 57.749 55.803 0.099 0.000 0.855 87 Q CB -0.115 28.659 28.738 0.060 0.000 0.911 87 Q HN 0.532 nan 8.270 nan 0.000 0.438 88 S N -2.141 113.592 115.700 0.056 0.000 2.489 88 S HA 0.177 4.647 4.470 -0.001 0.000 0.228 88 S C 1.510 176.137 174.600 0.045 0.000 0.995 88 S CA 0.600 58.823 58.200 0.038 0.000 0.934 88 S CB 0.010 63.232 63.200 0.036 0.000 0.771 88 S HN 0.633 nan 8.310 nan 0.000 0.522 89 G N 1.196 110.040 108.800 0.073 0.000 2.176 89 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.253 89 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.253 89 G C 0.535 175.476 174.900 0.069 0.000 0.979 89 G CA 0.529 45.677 45.100 0.079 0.000 0.641 89 G HN 0.586 nan 8.290 nan 0.000 0.530 90 E N -0.620 119.616 120.200 0.060 0.000 2.106 90 E HA 0.119 4.468 4.350 -0.001 0.000 0.192 90 E C 1.033 177.668 176.600 0.058 0.000 0.984 90 E CA 0.522 56.953 56.400 0.052 0.000 0.806 90 E CB -0.014 29.712 29.700 0.044 0.000 0.750 90 E HN 0.571 nan 8.360 nan 0.000 0.458 91 L N 1.091 122.354 121.223 0.067 0.000 2.334 91 L HA 0.276 4.615 4.340 -0.001 0.000 0.276 91 L C -0.077 176.839 176.870 0.077 0.000 1.014 91 L CA -0.931 53.950 54.840 0.069 0.000 0.815 91 L CB 1.892 43.986 42.059 0.058 0.000 1.268 91 L HN 0.050 nan 8.230 nan 0.000 0.428 92 S N 1.371 117.121 115.700 0.083 0.000 2.610 92 S HA 0.397 4.866 4.470 -0.001 0.000 0.273 92 S C -2.069 172.544 174.600 0.021 0.000 1.274 92 S CA -1.237 57.010 58.200 0.078 0.000 1.023 92 S CB 1.467 64.733 63.200 0.110 0.000 0.962 92 S HN 0.380 nan 8.310 nan 0.000 0.523 93 P HA -0.095 nan 4.420 nan 0.000 0.216 93 P C 0.971 178.216 177.300 -0.092 0.000 1.150 93 P CA 1.253 64.253 63.100 -0.167 0.000 0.837 93 P CB 0.010 31.527 31.700 -0.305 0.000 0.786 94 E N -0.159 120.037 120.200 -0.006 0.000 2.051 94 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 94 E C 2.200 178.823 176.600 0.039 0.000 0.991 94 E CA 1.646 58.098 56.400 0.086 0.000 0.799 94 E CB -1.246 28.628 29.700 0.289 0.000 0.748 94 E HN 0.142 nan 8.360 nan 0.000 0.449 95 A N 0.543 123.434 122.820 0.119 0.000 1.877 95 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 95 A C 2.505 180.057 177.584 -0.054 0.000 1.186 95 A CA 1.630 53.737 52.037 0.117 0.000 0.620 95 A CB -0.836 18.305 19.000 0.235 0.000 0.822 95 A HN 0.149 nan 8.150 nan 0.000 0.443 96 V N -1.254 118.646 119.914 -0.023 0.000 2.343 96 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 96 V C 2.277 178.318 176.094 -0.087 0.000 1.051 96 V CA 2.133 64.424 62.300 -0.014 0.000 1.036 96 V CB -1.006 30.817 31.823 0.000 0.000 0.654 96 V HN 0.622 nan 8.190 nan 0.000 0.451 97 F N 0.464 120.207 119.950 -0.344 0.000 2.075 97 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 97 F C 2.078 177.529 175.800 -0.581 0.000 1.113 97 F CA 1.847 59.523 58.000 -0.540 0.000 1.218 97 F CB -0.346 38.226 39.000 -0.712 0.000 0.984 97 F HN 0.109 nan 8.300 nan 0.000 0.472 98 F N -0.127 119.582 119.950 -0.402 0.000 2.325 98 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 98 F C 2.393 177.905 175.800 -0.480 0.000 1.090 98 F CA 1.325 58.988 58.000 -0.562 0.000 1.392 98 F CB -0.927 37.525 39.000 -0.913 0.000 1.053 98 F HN -0.109 nan 8.300 nan 0.000 0.521 99 T N -1.096 113.296 114.554 -0.269 0.000 2.777 99 T HA -0.205 4.145 4.350 -0.001 0.000 0.266 99 T C 1.573 176.112 174.700 -0.269 0.000 1.040 99 T CA 1.354 63.338 62.100 -0.193 0.000 1.141 99 T CB -0.487 68.287 68.868 -0.157 0.000 0.868 99 T HN 0.185 nan 8.240 nan 0.000 0.444 100 Y N 0.684 120.784 120.300 -0.334 0.000 2.242 100 Y HA 0.034 4.583 4.550 -0.001 0.000 0.291 100 Y C 2.126 177.802 175.900 -0.373 0.000 1.137 100 Y CA 0.381 58.262 58.100 -0.364 0.000 1.181 100 Y CB -0.424 37.732 38.460 -0.507 0.000 0.989 100 Y HN 0.084 nan 8.280 nan 0.000 0.527 101 L N -0.312 120.662 121.223 -0.415 0.000 2.046 101 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 101 L C 2.426 179.263 176.870 -0.054 0.000 1.077 101 L CA 2.181 56.843 54.840 -0.296 0.000 0.747 101 L CB -1.165 40.609 42.059 -0.474 0.000 0.896 101 L HN 0.206 nan 8.230 nan 0.000 0.432 102 G N -1.159 107.604 108.800 -0.061 0.000 2.422 102 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 102 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 102 G C 1.692 176.650 174.900 0.097 0.000 1.146 102 G CA 0.936 46.050 45.100 0.022 0.000 0.769 102 G HN 0.346 nan 8.290 nan 0.000 0.547 103 K N 1.064 121.473 120.400 0.016 0.000 2.062 103 K HA 0.230 4.550 4.320 -0.001 0.000 0.205 103 K C 2.699 179.351 176.600 0.087 0.000 1.051 103 K CA 1.428 57.725 56.287 0.017 0.000 0.941 103 K CB -0.658 31.786 32.500 -0.092 0.000 0.719 103 K HN 0.139 nan 8.250 nan 0.000 0.440 104 A N 0.115 123.020 122.820 0.142 0.000 1.873 104 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 104 A C 2.186 179.853 177.584 0.139 0.000 1.193 104 A CA 1.833 53.973 52.037 0.171 0.000 0.629 104 A CB -1.382 17.794 19.000 0.293 0.000 0.826 104 A HN 0.685 nan 8.150 nan 0.000 0.447 105 W N 0.802 122.097 121.300 -0.010 0.000 2.338 105 W HA -0.201 4.458 4.660 -0.001 0.000 0.304 105 W C 2.083 178.587 176.519 -0.023 0.000 1.212 105 W CA 2.147 59.474 57.345 -0.029 0.000 1.264 105 W CB -0.144 29.287 29.460 -0.049 0.000 1.142 105 W HN 0.514 nan 8.180 nan 0.000 0.512 106 E N -0.356 119.938 120.200 0.156 0.000 2.047 106 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 106 E C 2.203 178.727 176.600 -0.126 0.000 0.987 106 E CA 2.335 58.724 56.400 -0.018 0.000 0.799 106 E CB -0.682 29.075 29.700 0.096 0.000 0.752 106 E HN 0.315 nan 8.360 nan 0.000 0.449 107 V N 0.046 119.922 119.914 -0.063 0.000 2.626 107 V HA -0.176 3.943 4.120 -0.001 0.000 0.252 107 V C 1.898 177.928 176.094 -0.105 0.000 1.067 107 V CA 1.962 64.219 62.300 -0.072 0.000 1.081 107 V CB -0.674 31.130 31.823 -0.032 0.000 0.686 107 V HN 0.136 nan 8.190 nan 0.000 0.468 108 N N 0.996 119.613 118.700 -0.139 0.000 2.205 108 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 108 N C 1.747 177.130 175.510 -0.211 0.000 1.015 108 N CA 1.349 54.300 53.050 -0.165 0.000 0.862 108 N CB -0.279 38.093 38.487 -0.191 0.000 0.986 108 N HN 0.380 nan 8.380 nan 0.000 0.429 109 K N -0.375 119.842 120.400 -0.305 0.000 2.089 109 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 109 K C 1.827 178.330 176.600 -0.162 0.000 1.048 109 K CA 1.600 57.718 56.287 -0.283 0.000 0.926 109 K CB -0.964 31.342 32.500 -0.324 0.000 0.714 109 K HN 0.396 nan 8.250 nan 0.000 0.448 110 G N -0.117 108.608 108.800 -0.126 0.000 2.796 110 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.210 110 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.210 110 G C 1.373 176.240 174.900 -0.055 0.000 1.146 110 G CA 0.902 45.954 45.100 -0.080 0.000 0.779 110 G HN 0.457 nan 8.290 nan 0.000 0.535 111 T N -2.858 111.661 114.554 -0.057 0.000 2.978 111 T HA 0.098 4.447 4.350 -0.001 0.000 0.248 111 T C 1.069 175.754 174.700 -0.025 0.000 1.018 111 T CA 0.554 62.638 62.100 -0.028 0.000 1.026 111 T CB -0.099 68.759 68.868 -0.017 0.000 1.032 111 T HN 0.194 nan 8.240 nan 0.000 0.485 112 N N 0.752 119.423 118.700 -0.048 0.000 2.714 112 N HA -0.204 4.535 4.740 -0.001 0.000 0.253 112 N C 0.679 176.174 175.510 -0.026 0.000 1.024 112 N CA 0.686 53.715 53.050 -0.036 0.000 0.726 112 N CB -1.841 36.641 38.487 -0.009 0.000 0.908 112 N HN 0.812 nan 8.380 nan 0.000 0.542 113 C N -3.113 116.162 119.300 -0.042 0.000 2.735 113 C HA 0.507 4.966 4.460 -0.001 0.000 0.271 113 C C 0.931 175.875 174.990 -0.078 0.000 1.281 113 C CA -0.418 58.575 59.018 -0.041 0.000 1.719 113 C CB -0.742 26.982 27.740 -0.026 0.000 2.024 113 C HN 0.228 nan 8.230 nan 0.000 0.566 114 V N 3.036 122.895 119.914 -0.091 0.000 2.407 114 V HA 0.377 4.497 4.120 -0.001 0.000 0.278 114 V C 1.511 177.504 176.094 -0.170 0.000 1.037 114 V CA 0.939 63.169 62.300 -0.117 0.000 0.900 114 V CB 1.340 33.116 31.823 -0.078 0.000 0.983 114 V HN 0.649 nan 8.190 nan 0.000 0.459 115 T N 0.253 114.642 114.554 -0.276 0.000 3.039 115 T HA 0.177 4.526 4.350 -0.001 0.000 0.250 115 T C 0.706 175.238 174.700 -0.280 0.000 1.052 115 T CA 0.426 62.191 62.100 -0.558 0.000 1.125 115 T CB 0.429 68.634 68.868 -1.105 0.000 0.908 115 T HN 0.537 nan 8.240 nan 0.000 0.473 116 S N -0.464 115.175 115.700 -0.102 0.000 2.535 116 S HA 0.474 4.944 4.470 -0.001 0.000 0.272 116 S C -2.144 172.485 174.600 0.048 0.000 1.149 116 S CA -0.978 57.251 58.200 0.048 0.000 0.888 116 S CB 1.327 64.614 63.200 0.146 0.000 1.110 116 S HN 0.457 nan 8.310 nan 0.000 0.463 117 Y N 5.051 125.353 120.300 0.002 0.000 2.326 117 Y HA 0.553 5.102 4.550 -0.001 0.000 0.337 117 Y C -0.319 175.544 175.900 -0.062 0.000 1.023 117 Y CA -0.874 57.214 58.100 -0.021 0.000 1.143 117 Y CB 0.636 39.148 38.460 0.087 0.000 1.183 117 Y HN 0.578 nan 8.280 nan 0.000 0.485 118 L N 7.987 128.837 121.223 -0.622 0.000 2.384 118 L HA 0.047 4.387 4.340 -0.001 0.000 0.258 118 L C 1.251 177.778 176.870 -0.571 0.000 1.266 118 L CA -0.139 54.199 54.840 -0.836 0.000 1.162 118 L CB -0.330 40.992 42.059 -1.228 0.000 1.375 118 L HN 0.906 nan 8.230 nan 0.000 0.420 119 T N -0.050 114.318 114.554 -0.310 0.000 2.649 119 T HA -0.266 4.084 4.350 -0.001 0.000 0.268 119 T C 1.235 175.827 174.700 -0.181 0.000 1.036 119 T CA 2.168 64.087 62.100 -0.301 0.000 1.157 119 T CB -0.335 68.534 68.868 0.001 0.000 0.861 119 T HN 0.778 nan 8.240 nan 0.000 0.445 120 D N 1.155 121.532 120.400 -0.038 0.000 2.371 120 D HA -0.027 4.613 4.640 -0.001 0.000 0.234 120 D C 1.980 178.252 176.300 -0.047 0.000 1.049 120 D CA 0.516 54.514 54.000 -0.003 0.000 0.907 120 D CB -1.193 39.644 40.800 0.062 0.000 0.891 120 D HN 0.700 nan 8.370 nan 0.000 0.531 121 C N -1.231 117.996 119.300 -0.123 0.000 2.456 121 C HA 0.118 4.577 4.460 -0.001 0.000 0.279 121 C C 2.066 176.845 174.990 -0.351 0.000 1.427 121 C CA -0.261 58.661 59.018 -0.160 0.000 1.778 121 C CB -0.843 26.845 27.740 -0.086 0.000 1.842 121 C HN 0.234 nan 8.230 nan 0.000 0.531 122 E N 1.589 121.621 120.200 -0.279 0.000 2.208 122 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 122 E C 2.448 178.928 176.600 -0.201 0.000 0.988 122 E CA 1.825 58.039 56.400 -0.310 0.000 0.828 122 E CB -0.056 29.627 29.700 -0.029 0.000 0.763 122 E HN 0.952 nan 8.360 nan 0.000 0.478 123 T N -1.069 113.410 114.554 -0.124 0.000 2.852 123 T HA -0.167 4.182 4.350 -0.001 0.000 0.256 123 T C 2.037 176.679 174.700 -0.097 0.000 1.038 123 T CA 0.971 63.023 62.100 -0.080 0.000 1.141 123 T CB -0.097 68.748 68.868 -0.039 0.000 0.869 123 T HN -0.042 nan 8.240 nan 0.000 0.439 124 Q N 1.109 120.845 119.800 -0.107 0.000 2.152 124 Q HA -0.097 4.242 4.340 -0.001 0.000 0.206 124 Q C 2.141 178.057 176.000 -0.140 0.000 0.985 124 Q CA 1.727 57.470 55.803 -0.100 0.000 0.863 124 Q CB -1.060 27.633 28.738 -0.076 0.000 0.904 124 Q HN 0.575 nan 8.270 nan 0.000 0.422 125 L N 0.305 121.383 121.223 -0.242 0.000 2.013 125 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 125 L C 2.175 178.939 176.870 -0.176 0.000 1.073 125 L CA 2.577 57.233 54.840 -0.306 0.000 0.753 125 L CB -0.940 40.791 42.059 -0.546 0.000 0.890 125 L HN 0.466 nan 8.230 nan 0.000 0.432 126 S N -2.247 113.382 115.700 -0.119 0.000 2.522 126 S HA -0.092 4.378 4.470 -0.001 0.000 0.227 126 S C 1.751 176.346 174.600 -0.007 0.000 0.986 126 S CA 0.603 58.777 58.200 -0.042 0.000 0.929 126 S CB -0.316 62.869 63.200 -0.025 0.000 0.769 126 S HN 0.694 nan 8.310 nan 0.000 0.529 127 Q N 0.463 120.250 119.800 -0.022 0.000 2.282 127 Q HA 0.442 4.781 4.340 -0.001 0.000 0.206 127 Q C 0.355 176.370 176.000 0.025 0.000 0.878 127 Q CA -0.079 55.724 55.803 -0.001 0.000 0.944 127 Q CB 0.549 29.274 28.738 -0.021 0.000 1.100 127 Q HN 0.693 nan 8.270 nan 0.000 0.509 128 A N 2.966 125.807 122.820 0.036 0.000 2.561 128 A HA 0.124 4.444 4.320 -0.001 0.000 0.251 128 A C -2.247 175.466 177.584 0.216 0.000 1.062 128 A CA -0.752 51.340 52.037 0.091 0.000 0.761 128 A CB -0.275 18.730 19.000 0.008 0.000 0.986 128 A HN 0.009 nan 8.150 nan 0.000 0.510 129 P HA 0.094 nan 4.420 nan 0.000 0.267 129 P C 0.785 178.109 177.300 0.040 0.000 1.209 129 P CA -0.100 63.044 63.100 0.073 0.000 0.763 129 P CB 0.533 32.256 31.700 0.038 0.000 0.816 130 R N 2.534 122.938 120.500 -0.160 0.000 2.148 130 R HA -0.092 4.248 4.340 -0.001 0.000 0.223 130 R C 1.122 177.207 176.300 -0.357 0.000 1.088 130 R CA 1.403 57.174 56.100 -0.549 0.000 0.985 130 R CB 0.119 30.127 30.300 -0.487 0.000 0.880 130 R HN 0.624 nan 8.270 nan 0.000 0.451 131 Q N -0.562 119.149 119.800 -0.149 0.000 2.280 131 Q HA 0.141 4.481 4.340 -0.001 0.000 0.201 131 Q C 0.377 176.365 176.000 -0.020 0.000 0.890 131 Q CA -0.291 55.464 55.803 -0.081 0.000 0.947 131 Q CB 1.202 29.908 28.738 -0.054 0.000 1.081 131 Q HN 0.192 nan 8.270 nan 0.000 0.502 132 G N 0.172 108.980 108.800 0.012 0.000 2.432 132 G HA2 0.041 4.001 3.960 -0.001 0.000 0.239 132 G HA3 0.041 4.001 3.960 -0.001 0.000 0.239 132 G C 0.497 175.429 174.900 0.054 0.000 1.291 132 G CA -0.359 44.772 45.100 0.051 0.000 0.863 132 G HN 0.286 nan 8.290 nan 0.000 0.560 133 L N 1.163 122.403 121.223 0.029 0.000 2.465 133 L HA 0.087 4.427 4.340 -0.001 0.000 0.224 133 L C 1.600 178.483 176.870 0.021 0.000 1.145 133 L CA 0.615 55.464 54.840 0.014 0.000 0.834 133 L CB -0.168 41.880 42.059 -0.019 0.000 0.944 133 L HN 0.426 nan 8.230 nan 0.000 0.451 134 L N -1.376 119.865 121.223 0.031 0.000 3.110 134 L HA 0.155 4.494 4.340 -0.001 0.000 0.266 134 L C 0.054 176.947 176.870 0.038 0.000 1.257 134 L CA -0.647 54.200 54.840 0.011 0.000 1.038 134 L CB -0.089 41.953 42.059 -0.029 0.000 1.395 134 L HN 0.071 nan 8.230 nan 0.000 0.566 135 Y N 1.602 121.881 120.300 -0.034 0.000 2.852 135 Y HA 0.095 4.644 4.550 -0.001 0.000 0.343 135 Y C 1.490 177.371 175.900 -0.032 0.000 1.280 135 Y CA 1.266 59.348 58.100 -0.031 0.000 1.604 135 Y CB 0.366 38.814 38.460 -0.021 0.000 1.216 135 Y HN 0.407 nan 8.280 nan 0.000 0.541 136 G N 3.513 111.970 108.800 -0.571 0.000 2.179 136 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 136 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 136 G C -0.323 174.432 174.900 -0.241 0.000 0.977 136 G CA 0.109 44.911 45.100 -0.495 0.000 0.641 136 G HN 0.737 nan 8.290 nan 0.000 0.533 137 V N 2.616 122.427 119.914 -0.171 0.000 2.408 137 V HA 0.390 4.510 4.120 -0.001 0.000 0.267 137 V C -1.536 174.467 176.094 -0.152 0.000 1.047 137 V CA -1.335 60.872 62.300 -0.155 0.000 0.937 137 V CB 1.251 33.004 31.823 -0.118 0.000 0.999 137 V HN 0.133 nan 8.190 nan 0.000 0.472 138 P HA 0.277 nan 4.420 nan 0.000 0.271 138 P C -0.807 176.474 177.300 -0.031 0.000 1.216 138 P CA -0.029 62.947 63.100 -0.205 0.000 0.771 138 P CB 0.890 32.156 31.700 -0.724 0.000 0.864 139 V N 2.465 122.510 119.914 0.219 0.000 2.709 139 V HA 0.388 4.508 4.120 -0.001 0.000 0.308 139 V C 0.001 176.124 176.094 0.049 0.000 1.062 139 V CA -0.582 61.779 62.300 0.102 0.000 0.901 139 V CB 2.098 33.907 31.823 -0.022 0.000 1.003 139 V HN 0.605 nan 8.190 nan 0.000 0.425 140 S N 5.301 120.941 115.700 -0.100 0.000 2.578 140 S HA 0.851 5.320 4.470 -0.001 0.000 0.283 140 S C -0.772 173.699 174.600 -0.214 0.000 1.195 140 S CA -0.719 57.294 58.200 -0.311 0.000 1.050 140 S CB 1.329 64.362 63.200 -0.278 0.000 1.012 140 S HN 0.519 nan 8.310 nan 0.000 0.511 141 L N 1.768 122.878 121.223 -0.189 0.000 2.381 141 L HA 0.513 4.853 4.340 -0.001 0.000 0.274 141 L C 0.124 177.057 176.870 0.106 0.000 0.988 141 L CA -0.897 53.899 54.840 -0.074 0.000 0.824 141 L CB 1.912 43.973 42.059 0.004 0.000 1.263 141 L HN 0.731 nan 8.230 nan 0.000 0.410 142 K N 1.969 122.480 120.400 0.184 0.000 2.527 142 K HA -0.095 4.225 4.320 -0.001 0.000 0.278 142 K C 1.121 177.808 176.600 0.144 0.000 0.981 142 K CA 0.263 56.674 56.287 0.207 0.000 1.009 142 K CB 0.642 33.328 32.500 0.309 0.000 0.895 142 K HN 0.650 nan 8.250 nan 0.000 0.493 143 E N 2.420 122.555 120.200 -0.107 0.000 2.209 143 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 143 E C 1.463 177.801 176.600 -0.436 0.000 0.993 143 E CA 1.596 57.691 56.400 -0.509 0.000 0.819 143 E CB -0.073 29.442 29.700 -0.307 0.000 0.745 143 E HN 0.804 nan 8.360 nan 0.000 0.477 144 C N -0.431 118.773 119.300 -0.160 0.000 2.522 144 C HA 0.144 4.603 4.460 -0.001 0.000 0.271 144 C C 1.029 175.921 174.990 -0.164 0.000 1.425 144 C CA -0.804 58.118 59.018 -0.160 0.000 1.751 144 C CB -1.747 25.877 27.740 -0.195 0.000 1.775 144 C HN 0.025 nan 8.230 nan 0.000 0.557 145 F N 3.162 123.142 119.950 0.049 0.000 2.462 145 F HA 0.280 4.806 4.527 -0.001 0.000 0.360 145 F C 1.127 177.087 175.800 0.266 0.000 1.134 145 F CA 0.148 58.236 58.000 0.148 0.000 1.148 145 F CB 0.053 39.145 39.000 0.153 0.000 1.147 145 F HN 0.039 nan 8.300 nan 0.000 0.550 146 S N 3.593 119.474 115.700 0.301 0.000 2.563 146 S HA -0.041 4.428 4.470 -0.001 0.000 0.294 146 S C -0.764 174.032 174.600 0.327 0.000 1.279 146 S CA 0.259 58.628 58.200 0.281 0.000 1.069 146 S CB -0.063 63.234 63.200 0.161 0.000 0.828 146 S HN 0.504 nan 8.310 nan 0.000 0.497 147 Y N 2.260 122.679 120.300 0.198 0.000 2.406 147 Y HA 0.338 4.887 4.550 -0.001 0.000 0.340 147 Y C -0.090 175.882 175.900 0.120 0.000 0.975 147 Y CA -0.967 57.176 58.100 0.072 0.000 1.056 147 Y CB 1.041 39.401 38.460 -0.168 0.000 1.210 147 Y HN 0.568 nan 8.280 nan 0.000 0.448 148 K N 3.497 123.787 120.400 -0.184 0.000 2.472 148 K HA 0.316 4.636 4.320 -0.001 0.000 0.280 148 K C 0.960 177.666 176.600 0.176 0.000 1.028 148 K CA 1.527 57.796 56.287 -0.030 0.000 1.045 148 K CB -0.141 32.269 32.500 -0.149 0.000 0.902 148 K HN 1.083 nan 8.250 nan 0.000 0.478 149 G N 3.110 111.995 108.800 0.141 0.000 2.176 149 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.253 149 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.253 149 G C -0.236 174.635 174.900 -0.049 0.000 0.979 149 G CA -0.027 45.114 45.100 0.068 0.000 0.641 149 G HN 0.778 nan 8.290 nan 0.000 0.530 150 H N 0.572 119.741 119.070 0.165 0.000 2.569 150 H HA 0.393 4.949 4.556 -0.001 0.000 0.357 150 H C -0.779 174.670 175.328 0.202 0.000 1.153 150 H CA -0.877 55.284 56.048 0.188 0.000 1.193 150 H CB 1.563 31.450 29.762 0.208 0.000 1.602 150 H HN 0.127 nan 8.280 nan 0.000 0.523 151 D N 0.888 121.452 120.400 0.273 0.000 2.414 151 D HA 0.034 4.673 4.640 -0.001 0.000 0.242 151 D C -0.161 176.274 176.300 0.225 0.000 1.129 151 D CA 0.425 54.554 54.000 0.214 0.000 0.885 151 D CB 0.792 41.707 40.800 0.191 0.000 1.198 151 D HN 0.283 nan 8.370 nan 0.000 0.437 152 S N 0.360 116.144 115.700 0.141 0.000 2.457 152 S HA 0.115 4.585 4.470 -0.001 0.000 0.216 152 S C 1.414 176.045 174.600 0.052 0.000 1.392 152 S CA -0.593 57.636 58.200 0.050 0.000 1.102 152 S CB 0.516 63.740 63.200 0.041 0.000 1.114 152 S HN 0.524 nan 8.310 nan 0.000 0.484 153 T N 0.245 114.851 114.554 0.086 0.000 2.904 153 T HA 0.035 4.385 4.350 -0.001 0.000 0.267 153 T C 1.055 175.774 174.700 0.032 0.000 1.059 153 T CA 0.305 62.453 62.100 0.079 0.000 1.137 153 T CB -0.694 68.262 68.868 0.147 0.000 0.879 153 T HN 0.587 nan 8.240 nan 0.000 0.467 154 L N 0.693 121.940 121.223 0.040 0.000 3.976 154 L HA -0.226 4.114 4.340 -0.001 0.000 0.418 154 L C 1.414 178.301 176.870 0.029 0.000 1.177 154 L CA 0.304 55.158 54.840 0.024 0.000 0.968 154 L CB -2.638 39.413 42.059 -0.013 0.000 1.933 154 L HN 0.707 nan 8.230 nan 0.000 0.976 155 G N -0.702 108.143 108.800 0.075 0.000 2.168 155 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.263 155 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.263 155 G C 0.103 174.972 174.900 -0.051 0.000 0.977 155 G CA 0.659 45.783 45.100 0.040 0.000 0.659 155 G HN 0.361 nan 8.290 nan 0.000 0.533 156 L N 0.385 121.553 121.223 -0.092 0.000 2.317 156 L HA 0.589 4.929 4.340 -0.001 0.000 0.281 156 L C 1.701 178.500 176.870 -0.119 0.000 1.024 156 L CA 0.070 54.808 54.840 -0.170 0.000 0.810 156 L CB 1.721 43.620 42.059 -0.267 0.000 1.240 156 L HN 0.121 nan 8.230 nan 0.000 0.427 157 S N 2.817 118.448 115.700 -0.115 0.000 2.402 157 S HA -0.121 4.348 4.470 -0.001 0.000 0.229 157 S C 1.694 176.249 174.600 -0.074 0.000 1.021 157 S CA 1.407 59.559 58.200 -0.080 0.000 0.974 157 S CB -0.201 62.959 63.200 -0.068 0.000 0.800 157 S HN 0.636 nan 8.310 nan 0.000 0.484 158 L N 0.214 121.381 121.223 -0.094 0.000 2.362 158 L HA 0.124 4.464 4.340 -0.001 0.000 0.219 158 L C 1.151 177.993 176.870 -0.047 0.000 1.134 158 L CA 1.433 56.230 54.840 -0.072 0.000 0.807 158 L CB -0.512 41.495 42.059 -0.085 0.000 0.927 158 L HN 0.133 nan 8.230 nan 0.000 0.447 159 N N 0.215 118.888 118.700 -0.045 0.000 2.336 159 N HA 0.021 4.761 4.740 -0.001 0.000 0.189 159 N C 0.163 175.679 175.510 0.010 0.000 1.113 159 N CA 0.217 53.260 53.050 -0.011 0.000 0.858 159 N CB 0.002 38.485 38.487 -0.007 0.000 0.970 159 N HN 0.468 nan 8.380 nan 0.000 0.471 160 E N 0.465 120.662 120.200 -0.004 0.000 2.313 160 E HA 0.274 4.623 4.350 -0.001 0.000 0.276 160 E C 0.506 177.116 176.600 0.017 0.000 1.031 160 E CA -0.058 56.348 56.400 0.010 0.000 0.857 160 E CB 0.621 30.309 29.700 -0.021 0.000 1.040 160 E HN 0.379 nan 8.360 nan 0.000 0.408 161 G N 4.774 113.595 108.800 0.035 0.000 2.176 161 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.252 161 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.252 161 G C 0.228 175.144 174.900 0.027 0.000 1.024 161 G CA 0.475 45.593 45.100 0.029 0.000 0.755 161 G HN 0.416 nan 8.290 nan 0.000 0.507 162 M N 0.973 120.596 119.600 0.038 0.000 2.236 162 M HA 0.246 4.726 4.480 -0.001 0.000 0.228 162 M C -2.603 173.731 176.300 0.056 0.000 0.906 162 M CA -1.442 53.880 55.300 0.037 0.000 0.761 162 M CB 1.280 33.899 32.600 0.032 0.000 1.439 162 M HN -0.004 nan 8.290 nan 0.000 0.394 163 P HA 0.112 nan 4.420 nan 0.000 0.271 163 P C 0.172 177.519 177.300 0.078 0.000 1.218 163 P CA 0.043 63.187 63.100 0.074 0.000 0.780 163 P CB 0.856 32.581 31.700 0.041 0.000 0.901 164 S N 0.791 116.560 115.700 0.116 0.000 2.560 164 S HA -0.001 4.468 4.470 -0.001 0.000 0.284 164 S C 1.026 175.663 174.600 0.063 0.000 1.327 164 S CA -0.108 58.152 58.200 0.100 0.000 1.055 164 S CB -0.166 63.122 63.200 0.147 0.000 0.868 164 S HN 0.349 nan 8.310 nan 0.000 0.506 165 E N 1.284 121.505 120.200 0.036 0.000 2.481 165 E HA 0.132 4.482 4.350 -0.001 0.000 0.198 165 E C -0.069 176.528 176.600 -0.005 0.000 1.027 165 E CA -0.110 56.298 56.400 0.013 0.000 0.900 165 E CB 0.486 30.191 29.700 0.008 0.000 0.993 165 E HN 0.632 nan 8.360 nan 0.000 0.482 166 S N -0.173 115.524 115.700 -0.005 0.000 2.588 166 S HA 0.270 4.739 4.470 -0.001 0.000 0.269 166 S C -1.285 173.286 174.600 -0.048 0.000 1.157 166 S CA -1.208 56.968 58.200 -0.039 0.000 0.824 166 S CB 1.691 64.874 63.200 -0.027 0.000 1.126 166 S HN -0.199 nan 8.310 nan 0.000 0.464 167 D N 1.785 122.116 120.400 -0.115 0.000 2.424 167 D HA 0.323 4.962 4.640 -0.001 0.000 0.244 167 D C 1.098 177.396 176.300 -0.004 0.000 1.134 167 D CA -0.292 53.640 54.000 -0.113 0.000 0.881 167 D CB 0.472 41.154 40.800 -0.197 0.000 1.191 167 D HN 0.890 nan 8.370 nan 0.000 0.445 168 C N 0.521 119.866 119.300 0.076 0.000 2.758 168 C HA 0.097 4.556 4.460 -0.001 0.000 0.371 168 C C 2.173 177.216 174.990 0.087 0.000 1.342 168 C CA -0.898 58.185 59.018 0.108 0.000 2.257 168 C CB -0.149 27.706 27.740 0.191 0.000 2.621 168 C HN 0.491 nan 8.230 nan 0.000 0.730 169 V N 2.262 122.230 119.914 0.091 0.000 2.295 169 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 169 V C 2.644 178.776 176.094 0.064 0.000 1.049 169 V CA 2.551 64.890 62.300 0.066 0.000 1.024 169 V CB -0.868 30.999 31.823 0.073 0.000 0.648 169 V HN 1.001 nan 8.190 nan 0.000 0.447 170 V N -1.952 118.026 119.914 0.107 0.000 2.407 170 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 170 V C 2.213 178.322 176.094 0.024 0.000 1.055 170 V CA 1.969 64.311 62.300 0.071 0.000 1.049 170 V CB -0.975 30.914 31.823 0.111 0.000 0.662 170 V HN 0.296 nan 8.190 nan 0.000 0.455 171 V N 0.401 120.348 119.914 0.056 0.000 2.343 171 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 171 V C 2.868 178.955 176.094 -0.012 0.000 1.051 171 V CA 2.482 64.800 62.300 0.031 0.000 1.036 171 V CB -0.860 31.021 31.823 0.097 0.000 0.654 171 V HN 0.582 nan 8.190 nan 0.000 0.451 172 Q N -0.573 119.213 119.800 -0.024 0.000 2.061 172 Q HA -0.199 4.141 4.340 -0.001 0.000 0.204 172 Q C 2.351 178.302 176.000 -0.082 0.000 0.984 172 Q CA 2.054 57.820 55.803 -0.062 0.000 0.846 172 Q CB -0.345 28.361 28.738 -0.054 0.000 0.902 172 Q HN 0.544 nan 8.270 nan 0.000 0.421 173 V N 0.994 120.874 119.914 -0.056 0.000 2.358 173 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 173 V C 2.215 178.272 176.094 -0.061 0.000 1.047 173 V CA 1.386 63.648 62.300 -0.063 0.000 1.035 173 V CB -0.508 31.297 31.823 -0.030 0.000 0.658 173 V HN 0.343 nan 8.190 nan 0.000 0.452 174 L N -0.374 120.818 121.223 -0.051 0.000 2.013 174 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 174 L C 2.635 179.478 176.870 -0.046 0.000 1.073 174 L CA 1.914 56.725 54.840 -0.049 0.000 0.753 174 L CB -0.630 41.399 42.059 -0.051 0.000 0.890 174 L HN 0.301 nan 8.230 nan 0.000 0.432 175 K N -0.039 120.330 120.400 -0.051 0.000 2.057 175 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 175 K C 2.044 178.600 176.600 -0.073 0.000 1.050 175 K CA 1.106 57.361 56.287 -0.054 0.000 0.935 175 K CB -0.216 32.249 32.500 -0.059 0.000 0.715 175 K HN 0.244 nan 8.250 nan 0.000 0.439 176 L N 1.057 122.204 121.223 -0.127 0.000 2.362 176 L HA -0.150 4.189 4.340 -0.001 0.000 0.219 176 L C 1.877 178.705 176.870 -0.070 0.000 1.134 176 L CA 0.825 55.550 54.840 -0.192 0.000 0.807 176 L CB -0.091 41.661 42.059 -0.512 0.000 0.927 176 L HN 0.166 nan 8.230 nan 0.000 0.447 177 Q N -0.343 119.441 119.800 -0.026 0.000 2.246 177 Q HA 0.157 4.497 4.340 -0.001 0.000 0.202 177 Q C 1.395 177.416 176.000 0.036 0.000 0.883 177 Q CA 0.689 56.504 55.803 0.020 0.000 0.952 177 Q CB 0.975 29.718 28.738 0.007 0.000 1.078 177 Q HN 0.530 nan 8.270 nan 0.000 0.493 178 G N 0.680 109.500 108.800 0.033 0.000 2.176 178 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.253 178 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.253 178 G C 0.451 175.343 174.900 -0.013 0.000 0.979 178 G CA 0.130 45.272 45.100 0.070 0.000 0.641 178 G HN 0.575 nan 8.290 nan 0.000 0.530 179 A N -0.498 122.305 122.820 -0.028 0.000 2.406 179 A HA 0.648 4.968 4.320 -0.001 0.000 0.243 179 A C 0.448 178.005 177.584 -0.045 0.000 1.082 179 A CA 0.681 52.688 52.037 -0.050 0.000 0.786 179 A CB 0.961 19.934 19.000 -0.045 0.000 1.029 179 A HN 1.205 nan 8.150 nan 0.000 0.495 180 V N 3.444 123.339 119.914 -0.032 0.000 2.289 180 V HA 0.258 4.378 4.120 -0.001 0.000 0.272 180 V C -2.531 173.634 176.094 0.118 0.000 1.026 180 V CA -1.368 60.933 62.300 0.002 0.000 0.807 180 V CB 0.921 32.710 31.823 -0.056 0.000 1.044 180 V HN 0.714 nan 8.190 nan 0.000 0.443 181 P HA 0.165 nan 4.420 nan 0.000 0.267 181 P C 0.035 177.374 177.300 0.066 0.000 1.205 181 P CA 0.192 63.326 63.100 0.058 0.000 0.765 181 P CB 0.343 32.053 31.700 0.017 0.000 0.828 182 F N 2.734 122.589 119.950 -0.159 0.000 2.856 182 F HA 0.344 4.870 4.527 -0.001 0.000 0.338 182 F C -0.384 175.345 175.800 -0.118 0.000 1.005 182 F CA -0.323 57.629 58.000 -0.079 0.000 1.155 182 F CB 0.065 39.127 39.000 0.105 0.000 1.010 182 F HN 0.088 nan 8.300 nan 0.000 0.587 183 V N -1.147 118.281 119.914 -0.809 0.000 2.925 183 V HA 0.542 4.662 4.120 -0.001 0.000 0.311 183 V C -1.209 174.623 176.094 -0.437 0.000 1.104 183 V CA -0.935 61.024 62.300 -0.569 0.000 0.954 183 V CB 1.345 32.814 31.823 -0.591 0.000 1.022 183 V HN 0.300 nan 8.190 nan 0.000 0.427 184 H N 1.693 120.554 119.070 -0.348 0.000 2.527 184 H HA 0.665 5.221 4.556 -0.001 0.000 0.321 184 H C 0.267 175.460 175.328 -0.226 0.000 1.087 184 H CA 0.123 56.022 56.048 -0.248 0.000 1.337 184 H CB 1.659 31.304 29.762 -0.195 0.000 1.440 184 H HN 1.041 nan 8.280 nan 0.000 0.490 185 T N 0.863 115.386 114.554 -0.051 0.000 2.940 185 T HA 0.178 4.527 4.350 -0.001 0.000 0.288 185 T C 0.307 174.953 174.700 -0.091 0.000 1.033 185 T CA -1.191 60.853 62.100 -0.094 0.000 1.033 185 T CB 1.628 70.451 68.868 -0.074 0.000 1.079 185 T HN 0.430 nan 8.240 nan 0.000 0.496 186 N N 0.172 118.820 118.700 -0.087 0.000 2.415 186 N HA 0.426 5.166 4.740 -0.001 0.000 0.248 186 N C -0.513 175.000 175.510 0.005 0.000 1.271 186 N CA -0.231 52.788 53.050 -0.052 0.000 0.913 186 N CB 0.638 39.115 38.487 -0.016 0.000 1.129 186 N HN 0.837 nan 8.380 nan 0.000 0.444 187 V N -0.621 119.320 119.914 0.044 0.000 3.049 187 V HA 0.738 4.857 4.120 -0.001 0.000 0.309 187 V C -2.711 173.434 176.094 0.086 0.000 1.148 187 V CA -2.044 60.291 62.300 0.057 0.000 0.990 187 V CB 1.969 33.820 31.823 0.047 0.000 1.039 187 V HN 0.612 nan 8.190 nan 0.000 0.430 188 P HA 0.111 nan 4.420 nan 0.000 0.272 188 P C -0.548 176.830 177.300 0.131 0.000 1.223 188 P CA -0.019 63.141 63.100 0.101 0.000 0.784 188 P CB 0.543 32.297 31.700 0.091 0.000 0.923 189 Q N 1.950 121.837 119.800 0.145 0.000 2.269 189 Q HA 0.026 4.365 4.340 -0.001 0.000 0.300 189 Q C 0.724 176.848 176.000 0.207 0.000 1.070 189 Q CA 1.243 57.130 55.803 0.141 0.000 0.957 189 Q CB -0.211 28.629 28.738 0.170 0.000 1.131 189 Q HN 0.697 nan 8.270 nan 0.000 0.377 190 S N 3.383 119.139 115.700 0.093 0.000 2.981 190 S HA -0.329 4.140 4.470 -0.001 0.000 0.274 190 S C 0.626 175.414 174.600 0.312 0.000 1.297 190 S CA 1.600 59.888 58.200 0.148 0.000 1.266 190 S CB -1.835 61.524 63.200 0.266 0.000 1.542 190 S HN 1.027 nan 8.310 nan 0.000 0.674 191 M N -2.925 116.822 119.600 0.244 0.000 2.907 191 M HA -0.223 4.257 4.480 -0.001 0.000 0.186 191 M C 0.088 176.529 176.300 0.235 0.000 0.631 191 M CA 1.541 56.963 55.300 0.204 0.000 0.700 191 M CB -2.194 30.492 32.600 0.143 0.000 2.523 191 M HN 0.511 nan 8.290 nan 0.000 0.323 192 F N 0.880 120.977 119.950 0.245 0.000 2.975 192 F HA 0.515 5.041 4.527 -0.001 0.000 0.311 192 F C 0.529 176.430 175.800 0.169 0.000 1.239 192 F CA 0.049 58.179 58.000 0.216 0.000 1.282 192 F CB 0.752 39.911 39.000 0.265 0.000 1.071 192 F HN 0.038 nan 8.300 nan 0.000 0.516 193 S N -0.226 115.537 115.700 0.105 0.000 2.541 193 S HA 0.284 4.754 4.470 -0.001 0.000 0.271 193 S C -0.239 174.354 174.600 -0.012 0.000 1.133 193 S CA -0.489 57.730 58.200 0.031 0.000 0.876 193 S CB 0.694 63.912 63.200 0.031 0.000 1.105 193 S HN 0.298 nan 8.310 nan 0.000 0.470 194 Y N 1.255 121.423 120.300 -0.221 0.000 2.532 194 Y HA 0.531 5.081 4.550 -0.001 0.000 0.283 194 Y C 0.324 176.099 175.900 -0.208 0.000 1.181 194 Y CA -0.751 57.148 58.100 -0.335 0.000 1.256 194 Y CB -0.254 37.671 38.460 -0.892 0.000 1.112 194 Y HN 0.455 nan 8.280 nan 0.000 0.521 195 D N -0.080 120.175 120.400 -0.241 0.000 2.539 195 D HA 0.273 4.913 4.640 -0.001 0.000 0.280 195 D C -0.610 175.675 176.300 -0.025 0.000 1.208 195 D CA -0.816 53.112 54.000 -0.120 0.000 1.088 195 D CB 1.911 42.624 40.800 -0.145 0.000 1.149 195 D HN 0.182 nan 8.370 nan 0.000 0.596 196 C N 1.318 120.622 119.300 0.008 0.000 3.421 196 C HA 0.551 5.010 4.460 -0.001 0.000 0.194 196 C C -0.750 174.268 174.990 0.046 0.000 1.418 196 C CA -0.258 58.782 59.018 0.036 0.000 1.226 196 C CB -1.553 26.213 27.740 0.044 0.000 1.875 196 C HN 0.358 nan 8.230 nan 0.000 0.561 197 S N 2.494 118.223 115.700 0.048 0.000 2.548 197 S HA 0.866 5.336 4.470 -0.001 0.000 0.286 197 S C -0.788 173.858 174.600 0.077 0.000 1.098 197 S CA -0.349 57.886 58.200 0.057 0.000 0.930 197 S CB 1.311 64.531 63.200 0.034 0.000 1.070 197 S HN 0.904 nan 8.310 nan 0.000 0.480 198 N N 1.745 120.494 118.700 0.082 0.000 2.525 198 N HA 0.595 5.335 4.740 -0.001 0.000 0.270 198 N C -2.874 172.654 175.510 0.031 0.000 1.321 198 N CA -1.580 51.516 53.050 0.076 0.000 0.797 198 N CB 1.351 39.896 38.487 0.096 0.000 1.529 198 N HN 0.195 nan 8.380 nan 0.000 0.491 199 P HA 0.111 nan 4.420 nan 0.000 0.241 199 P C 0.504 177.742 177.300 -0.103 0.000 1.191 199 P CA 0.515 63.590 63.100 -0.041 0.000 0.771 199 P CB 0.303 32.020 31.700 0.029 0.000 0.929 200 L N -2.470 118.646 121.223 -0.178 0.000 2.121 200 L HA 0.073 4.412 4.340 -0.001 0.000 0.200 200 L C 1.776 178.331 176.870 -0.525 0.000 1.077 200 L CA 1.361 55.935 54.840 -0.443 0.000 0.766 200 L CB -0.650 40.972 42.059 -0.728 0.000 0.931 200 L HN -0.095 nan 8.230 nan 0.000 0.452 201 F N -0.481 119.478 119.950 0.014 0.000 2.731 201 F HA 0.363 4.889 4.527 -0.001 0.000 0.298 201 F C 1.505 177.305 175.800 0.000 0.000 1.106 201 F CA 0.336 58.343 58.000 0.011 0.000 1.329 201 F CB 0.167 39.177 39.000 0.017 0.000 1.100 201 F HN 0.210 nan 8.300 nan 0.000 0.592 202 G N 0.825 109.692 108.800 0.110 0.000 2.499 202 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.232 202 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.232 202 G C -0.647 174.298 174.900 0.075 0.000 1.251 202 G CA -0.476 44.661 45.100 0.063 0.000 0.917 202 G HN 0.308 nan 8.290 nan 0.000 0.580 203 Q N 0.324 120.152 119.800 0.046 0.000 2.314 203 Q HA 0.599 4.939 4.340 -0.001 0.000 0.259 203 Q C -0.268 175.753 176.000 0.034 0.000 0.951 203 Q CA -0.261 55.563 55.803 0.035 0.000 0.909 203 Q CB 0.849 29.596 28.738 0.016 0.000 1.236 203 Q HN 0.613 nan 8.270 nan 0.000 0.444 204 T N 4.876 119.453 114.554 0.038 0.000 2.889 204 T HA 0.428 4.777 4.350 -0.001 0.000 0.291 204 T C -0.092 174.630 174.700 0.037 0.000 0.995 204 T CA -0.182 61.938 62.100 0.033 0.000 1.092 204 T CB 0.607 69.496 68.868 0.035 0.000 0.954 204 T HN 0.578 nan 8.240 nan 0.000 0.506 205 M N 2.667 122.287 119.600 0.033 0.000 2.578 205 M HA 0.371 4.850 4.480 -0.001 0.000 0.321 205 M C 0.363 176.705 176.300 0.069 0.000 1.182 205 M CA -0.998 54.328 55.300 0.043 0.000 0.965 205 M CB 1.280 33.895 32.600 0.024 0.000 1.694 205 M HN 0.432 nan 8.290 nan 0.000 0.461 206 N N 3.254 122.012 118.700 0.096 0.000 2.475 206 N HA 0.141 4.880 4.740 -0.001 0.000 0.267 206 N C -1.902 173.695 175.510 0.144 0.000 1.169 206 N CA -1.243 51.898 53.050 0.153 0.000 0.947 206 N CB 1.208 39.797 38.487 0.170 0.000 1.061 206 N HN 0.378 nan 8.380 nan 0.000 0.466 207 P HA -0.053 nan 4.420 nan 0.000 0.223 207 P C 0.864 178.168 177.300 0.007 0.000 1.151 207 P CA 1.022 64.144 63.100 0.038 0.000 0.787 207 P CB 0.027 31.712 31.700 -0.024 0.000 0.788 208 W N 1.078 122.385 121.300 0.011 0.000 2.467 208 W HA 0.098 4.757 4.660 -0.001 0.000 0.275 208 W C 1.062 177.577 176.519 -0.006 0.000 1.239 208 W CA 0.759 58.106 57.345 0.004 0.000 1.266 208 W CB -0.091 29.372 29.460 0.006 0.000 1.112 208 W HN -0.072 nan 8.180 nan 0.000 0.576 209 K N -0.455 120.068 120.400 0.206 0.000 2.592 209 K HA 0.068 4.388 4.320 -0.001 0.000 0.265 209 K C 0.626 177.268 176.600 0.069 0.000 1.006 209 K CA 0.231 56.584 56.287 0.110 0.000 0.907 209 K CB 0.859 33.417 32.500 0.096 0.000 1.309 209 K HN -0.158 nan 8.250 nan 0.000 0.452 210 S N 0.819 116.542 115.700 0.039 0.000 2.489 210 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 210 S C 1.398 176.007 174.600 0.016 0.000 0.995 210 S CA 1.165 59.380 58.200 0.025 0.000 0.934 210 S CB -0.107 63.098 63.200 0.008 0.000 0.771 210 S HN 0.599 nan 8.310 nan 0.000 0.522 211 S N 0.550 116.257 115.700 0.011 0.000 2.561 211 S HA 0.214 4.684 4.470 -0.001 0.000 0.225 211 S C 0.548 175.145 174.600 -0.006 0.000 0.977 211 S CA -0.203 57.996 58.200 -0.002 0.000 0.926 211 S CB -0.201 62.994 63.200 -0.009 0.000 0.769 211 S HN 0.222 nan 8.310 nan 0.000 0.533 212 K N 1.915 122.319 120.400 0.007 0.000 2.123 212 K HA 0.442 4.761 4.320 -0.001 0.000 0.259 212 K C -0.198 176.423 176.600 0.035 0.000 0.960 212 K CA -0.374 55.910 56.287 -0.004 0.000 0.872 212 K CB 1.682 34.172 32.500 -0.017 0.000 1.079 212 K HN 0.175 nan 8.250 nan 0.000 0.440 213 S N 2.290 118.015 115.700 0.043 0.000 2.564 213 S HA 0.144 4.613 4.470 -0.001 0.000 0.278 213 S C -1.528 173.219 174.600 0.245 0.000 1.333 213 S CA -1.121 57.155 58.200 0.126 0.000 1.048 213 S CB 0.419 63.714 63.200 0.159 0.000 0.900 213 S HN 0.329 nan 8.310 nan 0.000 0.505 214 P HA 0.231 nan 4.420 nan 0.000 0.249 214 P C 0.733 178.191 177.300 0.263 0.000 1.229 214 P CA 0.597 63.845 63.100 0.247 0.000 0.788 214 P CB -0.594 31.194 31.700 0.147 0.000 1.072 215 G N -0.893 108.072 108.800 0.274 0.000 2.728 215 G HA2 0.259 4.218 3.960 -0.001 0.000 0.294 215 G HA3 0.259 4.218 3.960 -0.001 0.000 0.294 215 G C -0.364 174.525 174.900 -0.018 0.000 1.342 215 G CA -0.639 44.406 45.100 -0.093 0.000 0.866 215 G HN 0.600 nan 8.290 nan 0.000 0.534 216 G N -2.471 106.315 108.800 -0.024 0.000 2.356 216 G HA2 0.705 4.664 3.960 -0.001 0.000 0.294 216 G HA3 0.705 4.664 3.960 -0.001 0.000 0.294 216 G C 0.759 175.712 174.900 0.088 0.000 1.423 216 G CA 0.838 45.958 45.100 0.033 0.000 0.806 216 G HN 2.142 nan 8.290 nan 0.000 0.527 217 S N -1.062 114.675 115.700 0.061 0.000 2.522 217 S HA 0.051 4.520 4.470 -0.001 0.000 0.227 217 S C 1.354 175.981 174.600 0.045 0.000 0.986 217 S CA 1.151 59.376 58.200 0.043 0.000 0.929 217 S CB 0.103 63.324 63.200 0.034 0.000 0.769 217 S HN 0.630 nan 8.310 nan 0.000 0.529 218 S N 1.787 117.516 115.700 0.047 0.000 2.930 218 S HA 0.345 4.815 4.470 -0.001 0.000 0.257 218 S C 1.543 176.169 174.600 0.042 0.000 1.208 218 S CA -0.004 58.226 58.200 0.050 0.000 1.233 218 S CB -0.195 63.039 63.200 0.058 0.000 0.900 218 S HN 0.688 nan 8.310 nan 0.000 0.472 219 G N 2.015 110.840 108.800 0.040 0.000 2.403 219 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.216 219 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.216 219 G C 1.391 176.317 174.900 0.043 0.000 1.154 219 G CA 0.514 45.641 45.100 0.046 0.000 0.784 219 G HN 0.590 nan 8.290 nan 0.000 0.538 220 G N 0.780 109.595 108.800 0.025 0.000 2.440 220 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.218 220 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.218 220 G C 1.640 176.542 174.900 0.003 0.000 1.154 220 G CA 1.124 46.227 45.100 0.005 0.000 0.767 220 G HN 0.352 nan 8.290 nan 0.000 0.552 221 E N 0.755 120.960 120.200 0.009 0.000 2.058 221 E HA -0.105 4.245 4.350 -0.001 0.000 0.194 221 E C 2.781 179.401 176.600 0.032 0.000 0.997 221 E CA 1.117 57.522 56.400 0.008 0.000 0.801 221 E CB -0.991 28.718 29.700 0.014 0.000 0.746 221 E HN 0.352 nan 8.360 nan 0.000 0.450 222 G N 1.307 110.137 108.800 0.050 0.000 2.491 222 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 222 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 222 G C 1.761 176.721 174.900 0.101 0.000 1.180 222 G CA 1.745 46.894 45.100 0.081 0.000 0.774 222 G HN 0.419 nan 8.290 nan 0.000 0.562 223 A N 0.082 122.952 122.820 0.084 0.000 1.873 223 A HA 0.142 4.461 4.320 -0.001 0.000 0.215 223 A C 2.377 179.994 177.584 0.054 0.000 1.186 223 A CA 1.664 53.749 52.037 0.080 0.000 0.616 223 A CB -0.463 18.571 19.000 0.057 0.000 0.823 223 A HN 0.403 nan 8.150 nan 0.000 0.442 224 L N 0.036 121.280 121.223 0.035 0.000 2.005 224 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 224 L C 2.297 179.202 176.870 0.060 0.000 1.072 224 L CA 1.831 56.691 54.840 0.033 0.000 0.744 224 L CB -0.444 41.617 42.059 0.004 0.000 0.895 224 L HN 0.437 nan 8.230 nan 0.000 0.433 225 I N -0.685 119.920 120.570 0.058 0.000 2.252 225 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 225 I C 2.395 178.564 176.117 0.087 0.000 1.102 225 I CA 1.295 62.638 61.300 0.071 0.000 1.385 225 I CB -1.070 36.961 38.000 0.052 0.000 1.064 225 I HN 0.416 nan 8.210 nan 0.000 0.414 226 G N 0.159 109.022 108.800 0.104 0.000 2.470 226 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 226 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 226 G C 1.563 176.496 174.900 0.054 0.000 1.121 226 G CA 1.029 46.215 45.100 0.143 0.000 0.766 226 G HN 0.526 nan 8.290 nan 0.000 0.553 227 S N -1.379 114.333 115.700 0.021 0.000 2.540 227 S HA 0.427 4.897 4.470 -0.001 0.000 0.218 227 S C 1.628 176.217 174.600 -0.018 0.000 0.977 227 S CA 0.814 58.986 58.200 -0.047 0.000 0.918 227 S CB 0.331 63.499 63.200 -0.053 0.000 0.806 227 S HN 1.404 nan 8.310 nan 0.000 0.496 228 G N 0.508 109.332 108.800 0.040 0.000 2.175 228 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.244 228 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.244 228 G C 0.832 175.828 174.900 0.161 0.000 0.982 228 G CA -0.054 45.093 45.100 0.079 0.000 0.641 228 G HN 0.988 nan 8.290 nan 0.000 0.527 229 G N -0.571 108.324 108.800 0.157 0.000 2.848 229 G HA2 0.433 4.393 3.960 -0.001 0.000 0.208 229 G HA3 0.433 4.393 3.960 -0.001 0.000 0.208 229 G C 0.471 175.603 174.900 0.387 0.000 1.152 229 G CA 1.570 46.809 45.100 0.232 0.000 0.789 229 G HN 1.655 nan 8.290 nan 0.000 0.531 230 S N -0.591 115.284 115.700 0.292 0.000 2.563 230 S HA 0.488 4.958 4.470 -0.001 0.000 0.279 230 S C -2.461 172.109 174.600 -0.050 0.000 1.155 230 S CA -0.814 57.443 58.200 0.095 0.000 0.928 230 S CB 2.341 65.625 63.200 0.140 0.000 1.107 230 S HN -0.097 nan 8.310 nan 0.000 0.462 231 P HA 0.273 nan 4.420 nan 0.000 0.240 231 P C -0.179 177.059 177.300 -0.104 0.000 1.190 231 P CA 0.183 63.172 63.100 -0.185 0.000 0.781 231 P CB 0.047 31.549 31.700 -0.329 0.000 0.931 232 L N -1.233 119.929 121.223 -0.101 0.000 2.643 232 L HA 0.738 5.077 4.340 -0.001 0.000 0.257 232 L C -1.271 175.556 176.870 -0.071 0.000 0.922 232 L CA -0.417 54.376 54.840 -0.077 0.000 0.909 232 L CB 1.661 43.664 42.059 -0.094 0.000 1.424 232 L HN -0.001 nan 8.230 nan 0.000 0.422 233 G N 3.501 112.256 108.800 -0.074 0.000 2.695 233 G HA2 0.689 4.649 3.960 -0.001 0.000 0.290 233 G HA3 0.689 4.649 3.960 -0.001 0.000 0.290 233 G C -2.070 172.754 174.900 -0.126 0.000 1.410 233 G CA -0.785 44.255 45.100 -0.101 0.000 0.844 233 G HN 0.632 nan 8.290 nan 0.000 0.478 234 L N 0.363 121.460 121.223 -0.209 0.000 2.346 234 L HA 0.792 5.131 4.340 -0.001 0.000 0.276 234 L C 0.689 177.540 176.870 -0.031 0.000 1.006 234 L CA -0.724 53.965 54.840 -0.251 0.000 0.817 234 L CB 2.023 43.656 42.059 -0.711 0.000 1.272 234 L HN 0.776 nan 8.230 nan 0.000 0.421 235 G N 0.427 109.321 108.800 0.156 0.000 3.015 235 G HA2 0.766 4.725 3.960 -0.001 0.000 0.281 235 G HA3 0.766 4.725 3.960 -0.001 0.000 0.281 235 G C -0.956 174.134 174.900 0.316 0.000 1.386 235 G CA -0.323 44.941 45.100 0.274 0.000 0.959 235 G HN 0.531 nan 8.290 nan 0.000 0.522 236 T N -2.232 112.423 114.554 0.168 0.000 2.901 236 T HA 0.685 5.034 4.350 -0.001 0.000 0.293 236 T C -1.847 172.872 174.700 0.031 0.000 1.084 236 T CA -0.738 61.409 62.100 0.078 0.000 1.008 236 T CB 2.680 71.533 68.868 -0.024 0.000 1.170 236 T HN 0.492 nan 8.240 nan 0.000 0.509 237 D N 0.695 121.100 120.400 0.008 0.000 2.591 237 D HA 0.278 4.917 4.640 -0.001 0.000 0.222 237 D C -0.351 175.931 176.300 -0.031 0.000 1.360 237 D CA -0.490 53.498 54.000 -0.021 0.000 0.967 237 D CB 1.787 42.572 40.800 -0.024 0.000 1.456 237 D HN 0.630 nan 8.370 nan 0.000 0.588 238 I N 1.815 122.352 120.570 -0.055 0.000 4.187 238 I HA 0.322 4.491 4.170 -0.001 0.000 0.326 238 I C 1.123 177.193 176.117 -0.079 0.000 1.302 238 I CA 0.241 61.509 61.300 -0.054 0.000 1.196 238 I CB 0.787 38.767 38.000 -0.032 0.000 1.095 238 I HN 0.457 nan 8.210 nan 0.000 0.411 239 G N -0.648 108.089 108.800 -0.105 0.000 4.399 239 G HA2 0.395 4.355 3.960 -0.001 0.000 0.268 239 G HA3 0.395 4.355 3.960 -0.001 0.000 0.268 239 G C 0.729 175.582 174.900 -0.077 0.000 1.038 239 G CA 0.429 45.475 45.100 -0.090 0.000 0.811 239 G HN 0.403 nan 8.290 nan 0.000 0.408 240 G N -0.150 108.562 108.800 -0.146 0.000 2.370 240 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.174 240 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.174 240 G C 1.054 175.802 174.900 -0.254 0.000 1.002 240 G CA 0.529 45.375 45.100 -0.424 0.000 0.730 240 G HN 0.338 nan 8.290 nan 0.000 0.497 241 S N -0.030 115.649 115.700 -0.035 0.000 2.603 241 S HA 0.237 4.706 4.470 -0.001 0.000 0.229 241 S C 2.051 176.657 174.600 0.009 0.000 0.972 241 S CA 0.807 59.036 58.200 0.048 0.000 0.935 241 S CB -0.026 63.187 63.200 0.020 0.000 0.769 241 S HN 0.518 nan 8.310 nan 0.000 0.536 242 I N 0.500 121.047 120.570 -0.037 0.000 2.731 242 I HA 0.029 4.199 4.170 -0.001 0.000 0.260 242 I C 2.372 178.444 176.117 -0.074 0.000 1.138 242 I CA 0.580 61.864 61.300 -0.027 0.000 1.461 242 I CB 0.026 38.018 38.000 -0.013 0.000 1.128 242 I HN 0.118 nan 8.210 nan 0.000 0.438 243 R N 0.018 120.417 120.500 -0.169 0.000 2.093 243 R HA -0.024 4.316 4.340 -0.001 0.000 0.224 243 R C 2.177 178.321 176.300 -0.259 0.000 1.101 243 R CA 1.176 57.141 56.100 -0.225 0.000 0.979 243 R CB -0.265 29.862 30.300 -0.289 0.000 0.877 243 R HN 0.127 nan 8.270 nan 0.000 0.441 244 F N 1.371 121.176 119.950 -0.243 0.000 2.069 244 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 244 F C -0.568 174.883 175.800 -0.581 0.000 1.113 244 F CA 1.054 58.742 58.000 -0.520 0.000 1.214 244 F CB -1.482 37.156 39.000 -0.605 0.000 0.978 244 F HN 0.034 nan 8.300 nan 0.000 0.474 245 P HA -0.052 nan 4.420 nan 0.000 0.220 245 P C 1.602 178.921 177.300 0.032 0.000 1.152 245 P CA 1.512 64.581 63.100 -0.051 0.000 0.812 245 P CB -0.035 31.669 31.700 0.007 0.000 0.792 246 S N 0.619 116.325 115.700 0.010 0.000 2.359 246 S HA -0.133 4.336 4.470 -0.001 0.000 0.224 246 S C 2.238 176.875 174.600 0.062 0.000 1.035 246 S CA 1.635 59.855 58.200 0.034 0.000 1.018 246 S CB -1.025 62.175 63.200 0.000 0.000 0.876 246 S HN 0.206 nan 8.310 nan 0.000 0.448 247 A N 1.103 123.961 122.820 0.063 0.000 1.873 247 A HA 0.026 4.345 4.320 -0.001 0.000 0.215 247 A C 1.793 179.528 177.584 0.253 0.000 1.186 247 A CA 1.175 53.288 52.037 0.127 0.000 0.616 247 A CB -0.759 18.333 19.000 0.152 0.000 0.823 247 A HN 0.443 nan 8.150 nan 0.000 0.442 248 F N -0.487 119.483 119.950 0.033 0.000 2.293 248 F HA -0.092 4.435 4.527 -0.001 0.000 0.300 248 F C 2.132 177.908 175.800 -0.040 0.000 1.086 248 F CA -0.008 57.995 58.000 0.006 0.000 1.375 248 F CB -1.000 38.043 39.000 0.071 0.000 1.045 248 F HN 0.237 nan 8.300 nan 0.000 0.516 249 C N -0.850 118.580 119.300 0.216 0.000 3.038 249 C HA 0.554 5.014 4.460 -0.001 0.000 0.279 249 C C 1.623 176.777 174.990 0.273 0.000 1.276 249 C CA 0.150 59.321 59.018 0.255 0.000 1.697 249 C CB -0.660 27.242 27.740 0.270 0.000 2.032 249 C HN 0.673 nan 8.230 nan 0.000 0.636 250 G N 2.288 111.138 108.800 0.084 0.000 2.212 250 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.255 250 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.255 250 G C -0.217 174.772 174.900 0.148 0.000 1.062 250 G CA 0.636 45.779 45.100 0.071 0.000 0.815 250 G HN 0.786 nan 8.290 nan 0.000 0.497 251 I N -3.928 116.708 120.570 0.109 0.000 3.239 251 I HA 0.830 5.000 4.170 -0.001 0.000 0.314 251 I C 0.306 176.450 176.117 0.044 0.000 1.126 251 I CA -1.698 59.654 61.300 0.087 0.000 0.973 251 I CB 1.753 39.810 38.000 0.096 0.000 1.252 251 I HN 0.041 nan 8.210 nan 0.000 0.463 252 C N 1.646 120.965 119.300 0.031 0.000 2.365 252 C HA 0.909 5.368 4.460 -0.001 0.000 0.351 252 C C 0.570 175.563 174.990 0.004 0.000 1.240 252 C CA -0.020 59.004 59.018 0.010 0.000 2.062 252 C CB 0.100 27.846 27.740 0.009 0.000 2.387 252 C HN 0.984 nan 8.230 nan 0.000 0.537 253 G N 1.564 110.359 108.800 -0.008 0.000 2.718 253 G HA2 0.637 4.597 3.960 -0.001 0.000 0.295 253 G HA3 0.637 4.597 3.960 -0.001 0.000 0.295 253 G C -2.083 172.809 174.900 -0.013 0.000 1.421 253 G CA -0.343 44.752 45.100 -0.010 0.000 0.902 253 G HN 0.655 nan 8.290 nan 0.000 0.501 254 L N 0.444 121.665 121.223 -0.004 0.000 2.410 254 L HA 0.711 5.051 4.340 -0.001 0.000 0.270 254 L C -0.319 176.558 176.870 0.011 0.000 0.983 254 L CA -0.891 53.952 54.840 0.005 0.000 0.822 254 L CB 2.029 44.100 42.059 0.020 0.000 1.285 254 L HN 0.460 nan 8.230 nan 0.000 0.409 255 K N 6.720 127.124 120.400 0.007 0.000 2.299 255 K HA 0.504 4.823 4.320 -0.001 0.000 0.268 255 K C -2.518 174.095 176.600 0.021 0.000 1.075 255 K CA -1.723 54.573 56.287 0.014 0.000 0.936 255 K CB 0.951 33.451 32.500 -0.000 0.000 1.228 255 K HN 0.393 nan 8.250 nan 0.000 0.454 256 P HA 0.027 nan 4.420 nan 0.000 0.274 256 P C -0.658 176.625 177.300 -0.028 0.000 1.260 256 P CA -0.328 62.786 63.100 0.022 0.000 0.793 256 P CB 0.346 32.084 31.700 0.063 0.000 1.048 257 T N 0.452 114.939 114.554 -0.111 0.000 2.946 257 T HA 0.050 4.399 4.350 -0.001 0.000 0.312 257 T C 1.886 176.477 174.700 -0.181 0.000 1.066 257 T CA 0.860 62.788 62.100 -0.285 0.000 1.138 257 T CB -0.019 68.411 68.868 -0.730 0.000 1.014 257 T HN 0.584 nan 8.240 nan 0.000 0.544 258 G N 2.070 110.775 108.800 -0.158 0.000 2.440 258 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 258 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 258 G C 1.282 176.206 174.900 0.040 0.000 1.154 258 G CA 0.447 45.526 45.100 -0.035 0.000 0.767 258 G HN 0.659 nan 8.290 nan 0.000 0.552 259 N N -0.540 118.202 118.700 0.070 0.000 2.295 259 N HA 0.118 4.858 4.740 -0.001 0.000 0.221 259 N C 1.707 177.456 175.510 0.397 0.000 1.129 259 N CA -0.218 52.975 53.050 0.239 0.000 0.836 259 N CB 0.064 38.732 38.487 0.302 0.000 1.040 259 N HN 0.129 nan 8.380 nan 0.000 0.494 260 R N -0.342 120.360 120.500 0.336 0.000 2.115 260 R HA 0.223 4.562 4.340 -0.001 0.000 0.226 260 R C -0.099 176.385 176.300 0.307 0.000 1.100 260 R CA 1.146 57.494 56.100 0.413 0.000 0.980 260 R CB 0.092 30.572 30.300 0.300 0.000 0.875 260 R HN 0.200 nan 8.270 nan 0.000 0.445 261 L N -0.479 120.881 121.223 0.228 0.000 2.341 261 L HA 0.378 4.717 4.340 -0.001 0.000 0.267 261 L C -0.272 176.707 176.870 0.181 0.000 1.009 261 L CA -1.083 53.875 54.840 0.198 0.000 0.819 261 L CB 1.911 44.068 42.059 0.162 0.000 1.323 261 L HN -0.064 nan 8.230 nan 0.000 0.425 262 S N 0.589 116.390 115.700 0.169 0.000 2.531 262 S HA 0.136 4.606 4.470 -0.001 0.000 0.279 262 S C 0.600 175.286 174.600 0.144 0.000 1.305 262 S CA -0.155 58.135 58.200 0.150 0.000 1.058 262 S CB 0.463 63.744 63.200 0.134 0.000 0.899 262 S HN 0.626 nan 8.310 nan 0.000 0.493 263 K N 2.487 122.960 120.400 0.121 0.000 2.358 263 K HA 0.109 4.428 4.320 -0.001 0.000 0.197 263 K C 0.446 177.100 176.600 0.089 0.000 1.025 263 K CA -0.090 56.255 56.287 0.098 0.000 1.104 263 K CB 0.417 32.968 32.500 0.084 0.000 0.855 263 K HN 0.553 nan 8.250 nan 0.000 0.531 264 S N 0.412 116.168 115.700 0.093 0.000 2.525 264 S HA 0.186 4.655 4.470 -0.001 0.000 0.285 264 S C 1.154 175.799 174.600 0.076 0.000 1.283 264 S CA 0.981 59.227 58.200 0.076 0.000 1.072 264 S CB 0.142 63.384 63.200 0.070 0.000 0.867 264 S HN 0.638 nan 8.310 nan 0.000 0.492 265 G N 3.315 112.152 108.800 0.061 0.000 2.176 265 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.253 265 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.253 265 G C -0.163 174.778 174.900 0.068 0.000 0.979 265 G CA 0.149 45.287 45.100 0.064 0.000 0.641 265 G HN 0.737 nan 8.290 nan 0.000 0.530 266 L N 0.714 121.963 121.223 0.044 0.000 2.367 266 L HA 0.583 4.922 4.340 -0.001 0.000 0.275 266 L C 0.686 177.585 176.870 0.048 0.000 1.129 266 L CA -0.242 54.571 54.840 -0.045 0.000 0.839 266 L CB 1.220 43.191 42.059 -0.147 0.000 1.133 266 L HN 0.227 nan 8.230 nan 0.000 0.453 267 K N 1.827 122.235 120.400 0.013 0.000 2.249 267 K HA 0.676 4.995 4.320 -0.001 0.000 0.280 267 K C -0.145 176.460 176.600 0.008 0.000 1.033 267 K CA 0.012 56.352 56.287 0.089 0.000 0.946 267 K CB 1.073 33.603 32.500 0.049 0.000 1.005 267 K HN 0.681 nan 8.250 nan 0.000 0.469 268 G N 1.057 109.838 108.800 -0.032 0.000 2.694 268 G HA2 0.279 4.238 3.960 -0.001 0.000 0.290 268 G HA3 0.279 4.238 3.960 -0.001 0.000 0.290 268 G C 0.534 175.234 174.900 -0.333 0.000 1.386 268 G CA -0.428 44.507 45.100 -0.275 0.000 0.872 268 G HN 0.846 nan 8.290 nan 0.000 0.475 269 C N -1.388 117.781 119.300 -0.219 0.000 2.486 269 C HA 0.461 4.921 4.460 -0.001 0.000 0.279 269 C C 0.779 175.658 174.990 -0.186 0.000 1.302 269 C CA -0.140 58.799 59.018 -0.131 0.000 1.720 269 C CB -1.003 26.777 27.740 0.066 0.000 2.030 269 C HN 0.340 nan 8.230 nan 0.000 0.490 270 V N 0.414 120.163 119.914 -0.276 0.000 2.686 270 V HA 0.479 4.598 4.120 -0.001 0.000 0.306 270 V C -1.486 174.390 176.094 -0.363 0.000 1.065 270 V CA -0.359 61.822 62.300 -0.198 0.000 0.894 270 V CB 1.486 33.284 31.823 -0.041 0.000 1.004 270 V HN 0.393 nan 8.190 nan 0.000 0.424 271 Y N 1.514 121.836 120.300 0.037 0.000 2.446 271 Y HA 0.707 5.256 4.550 -0.001 0.000 0.338 271 Y C 1.199 177.117 175.900 0.030 0.000 1.055 271 Y CA 0.266 58.385 58.100 0.030 0.000 1.101 271 Y CB 2.073 40.548 38.460 0.025 0.000 1.221 271 Y HN 0.865 nan 8.280 nan 0.000 0.460 272 G N 0.969 109.880 108.800 0.184 0.000 2.175 272 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.244 272 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.244 272 G C 0.015 174.963 174.900 0.080 0.000 0.982 272 G CA -0.317 44.856 45.100 0.121 0.000 0.641 272 G HN 0.514 nan 8.290 nan 0.000 0.527 273 Q N 1.436 121.268 119.800 0.053 0.000 2.307 273 Q HA 0.490 4.830 4.340 -0.001 0.000 0.259 273 Q C 1.203 177.221 176.000 0.030 0.000 0.998 273 Q CA 0.951 56.768 55.803 0.024 0.000 0.923 273 Q CB 0.817 29.542 28.738 -0.021 0.000 1.196 273 Q HN 0.605 nan 8.270 nan 0.000 0.416 274 T N -0.179 114.399 114.554 0.040 0.000 3.043 274 T HA 0.318 4.667 4.350 -0.001 0.000 0.272 274 T C 1.256 175.978 174.700 0.037 0.000 0.990 274 T CA 0.349 62.476 62.100 0.045 0.000 0.897 274 T CB 0.453 69.358 68.868 0.062 0.000 1.111 274 T HN 0.391 nan 8.240 nan 0.000 0.529 275 A N 1.358 124.194 122.820 0.026 0.000 1.968 275 A HA 0.433 4.752 4.320 -0.001 0.000 0.217 275 A C 0.948 178.531 177.584 -0.000 0.000 1.169 275 A CA 0.733 52.782 52.037 0.020 0.000 0.638 275 A CB -0.198 18.810 19.000 0.012 0.000 0.812 275 A HN 0.453 nan 8.150 nan 0.000 0.446 276 V N 1.760 121.666 119.914 -0.014 0.000 2.409 276 V HA 0.229 4.348 4.120 -0.001 0.000 0.290 276 V C -0.877 175.210 176.094 -0.012 0.000 1.017 276 V CA -0.860 61.425 62.300 -0.024 0.000 0.841 276 V CB 1.444 33.239 31.823 -0.047 0.000 1.003 276 V HN 0.437 nan 8.190 nan 0.000 0.426 277 Q N 3.043 122.840 119.800 -0.005 0.000 2.288 277 Q HA 0.381 4.721 4.340 -0.001 0.000 0.254 277 Q C -0.408 175.594 176.000 0.003 0.000 0.932 277 Q CA -0.771 55.036 55.803 0.006 0.000 0.902 277 Q CB 2.415 31.157 28.738 0.007 0.000 1.203 277 Q HN 0.579 nan 8.270 nan 0.000 0.415 278 L N 1.786 123.016 121.223 0.012 0.000 2.456 278 L HA 0.158 4.497 4.340 -0.001 0.000 0.272 278 L C -0.211 176.670 176.870 0.018 0.000 1.189 278 L CA 0.782 55.627 54.840 0.009 0.000 0.846 278 L CB 1.108 43.172 42.059 0.008 0.000 1.111 278 L HN 0.572 nan 8.230 nan 0.000 0.475 279 S N 3.933 119.643 115.700 0.018 0.000 2.549 279 S HA 0.811 5.280 4.470 -0.001 0.000 0.280 279 S C -1.113 173.523 174.600 0.060 0.000 1.109 279 S CA -0.770 57.452 58.200 0.036 0.000 0.905 279 S CB 1.138 64.351 63.200 0.021 0.000 1.081 279 S HN 0.703 nan 8.310 nan 0.000 0.477 280 L N 1.913 123.197 121.223 0.102 0.000 2.333 280 L HA 1.136 5.476 4.340 -0.001 0.000 0.269 280 L C -0.044 176.915 176.870 0.149 0.000 1.010 280 L CA -0.185 54.761 54.840 0.175 0.000 0.818 280 L CB 1.504 43.734 42.059 0.285 0.000 1.306 280 L HN 0.794 nan 8.230 nan 0.000 0.430 281 G N 0.735 109.622 108.800 0.145 0.000 2.506 281 G HA2 0.600 4.560 3.960 -0.001 0.000 0.292 281 G HA3 0.600 4.560 3.960 -0.001 0.000 0.292 281 G C -3.388 171.532 174.900 0.034 0.000 1.425 281 G CA -0.865 44.280 45.100 0.075 0.000 0.788 281 G HN 0.610 nan 8.290 nan 0.000 0.490 282 P HA 0.509 nan 4.420 nan 0.000 0.277 282 P C -0.824 176.466 177.300 -0.016 0.000 1.240 282 P CA -0.222 62.860 63.100 -0.029 0.000 0.798 282 P CB 1.374 33.047 31.700 -0.044 0.000 0.979 283 M N 1.413 120.998 119.600 -0.024 0.000 2.393 283 M HA 0.712 5.192 4.480 -0.001 0.000 0.299 283 M C -0.584 175.708 176.300 -0.013 0.000 1.103 283 M CA -0.370 54.924 55.300 -0.009 0.000 0.910 283 M CB 2.739 35.340 32.600 0.002 0.000 1.659 283 M HN 0.488 nan 8.290 nan 0.000 0.445 284 A N 1.691 124.511 122.820 0.001 0.000 2.564 284 A HA 0.602 4.922 4.320 -0.001 0.000 0.291 284 A C -0.291 177.309 177.584 0.027 0.000 1.102 284 A CA -0.767 51.273 52.037 0.004 0.000 0.660 284 A CB 1.319 20.311 19.000 -0.013 0.000 1.283 284 A HN 0.903 nan 8.150 nan 0.000 0.430 285 R N -0.264 120.257 120.500 0.035 0.000 2.193 285 R HA 0.053 4.392 4.340 -0.001 0.000 0.213 285 R C -0.553 175.776 176.300 0.047 0.000 1.055 285 R CA 1.604 57.736 56.100 0.054 0.000 0.995 285 R CB -0.108 30.230 30.300 0.062 0.000 0.893 285 R HN 0.840 nan 8.270 nan 0.000 0.459 286 D N -3.163 117.258 120.400 0.035 0.000 2.596 286 D HA 0.088 4.728 4.640 -0.001 0.000 0.262 286 D C 0.558 176.878 176.300 0.033 0.000 1.210 286 D CA -0.760 53.262 54.000 0.037 0.000 0.873 286 D CB 0.992 41.818 40.800 0.043 0.000 1.408 286 D HN -0.343 nan 8.370 nan 0.000 0.441 287 V N -0.128 119.815 119.914 0.049 0.000 2.453 287 V HA -0.130 3.990 4.120 -0.001 0.000 0.247 287 V C 2.224 178.364 176.094 0.077 0.000 1.048 287 V CA 1.981 64.320 62.300 0.065 0.000 1.049 287 V CB -0.761 31.121 31.823 0.099 0.000 0.672 287 V HN 0.730 nan 8.190 nan 0.000 0.457 288 E N 0.798 121.063 120.200 0.109 0.000 2.118 288 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 288 E C 2.267 178.867 176.600 0.000 0.000 0.992 288 E CA 1.781 58.249 56.400 0.114 0.000 0.804 288 E CB -0.303 29.472 29.700 0.124 0.000 0.741 288 E HN 0.567 nan 8.360 nan 0.000 0.458 289 S N -0.204 115.492 115.700 -0.008 0.000 2.402 289 S HA -0.063 4.407 4.470 -0.001 0.000 0.229 289 S C 1.833 176.384 174.600 -0.081 0.000 1.021 289 S CA 0.964 59.138 58.200 -0.043 0.000 0.974 289 S CB -0.205 62.980 63.200 -0.025 0.000 0.800 289 S HN 0.271 nan 8.310 nan 0.000 0.484 290 L N 1.072 122.252 121.223 -0.071 0.000 2.056 290 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 290 L C 2.836 179.604 176.870 -0.171 0.000 1.078 290 L CA 1.131 55.919 54.840 -0.087 0.000 0.749 290 L CB -0.794 41.240 42.059 -0.042 0.000 0.901 290 L HN 0.308 nan 8.230 nan 0.000 0.433 291 A N 0.321 122.989 122.820 -0.253 0.000 1.877 291 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 291 A C 2.230 179.450 177.584 -0.606 0.000 1.186 291 A CA 1.706 53.431 52.037 -0.519 0.000 0.620 291 A CB -0.730 17.751 19.000 -0.865 0.000 0.822 291 A HN 0.317 nan 8.150 nan 0.000 0.443 292 L N -0.314 120.698 121.223 -0.353 0.000 2.046 292 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 292 L C 2.553 179.260 176.870 -0.273 0.000 1.077 292 L CA 2.258 56.928 54.840 -0.283 0.000 0.747 292 L CB -1.008 40.965 42.059 -0.144 0.000 0.896 292 L HN 0.532 nan 8.230 nan 0.000 0.432 293 C N -1.147 118.021 119.300 -0.220 0.000 2.429 293 C HA -0.111 4.349 4.460 -0.001 0.000 0.277 293 C C 2.724 177.601 174.990 -0.189 0.000 1.262 293 C CA 0.854 59.771 59.018 -0.169 0.000 1.733 293 C CB -1.065 26.600 27.740 -0.124 0.000 2.010 293 C HN 0.620 nan 8.230 nan 0.000 0.483 294 L N 1.478 122.553 121.223 -0.246 0.000 2.046 294 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 294 L C 2.578 179.276 176.870 -0.287 0.000 1.077 294 L CA 2.251 56.975 54.840 -0.194 0.000 0.747 294 L CB -0.886 41.112 42.059 -0.103 0.000 0.896 294 L HN 0.418 nan 8.230 nan 0.000 0.432 295 K N -0.813 119.196 120.400 -0.652 0.000 2.063 295 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 295 K C 2.001 178.482 176.600 -0.198 0.000 1.048 295 K CA 1.462 57.445 56.287 -0.506 0.000 0.928 295 K CB -0.209 31.919 32.500 -0.620 0.000 0.713 295 K HN 0.329 nan 8.250 nan 0.000 0.442 296 A N 1.075 123.783 122.820 -0.188 0.000 1.902 296 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 296 A C 2.116 179.645 177.584 -0.091 0.000 1.181 296 A CA 1.334 53.305 52.037 -0.109 0.000 0.623 296 A CB -0.550 18.392 19.000 -0.097 0.000 0.818 296 A HN 0.345 nan 8.150 nan 0.000 0.443 297 L N -0.802 120.363 121.223 -0.096 0.000 2.109 297 L HA 0.014 4.353 4.340 -0.001 0.000 0.207 297 L C 0.653 177.441 176.870 -0.137 0.000 1.086 297 L CA 0.395 55.185 54.840 -0.083 0.000 0.760 297 L CB -0.322 41.710 42.059 -0.044 0.000 0.910 297 L HN 0.268 nan 8.230 nan 0.000 0.437 298 L N 1.521 122.689 121.223 -0.091 0.000 2.437 298 L HA 0.080 4.420 4.340 -0.001 0.000 0.243 298 L C 0.051 176.767 176.870 -0.257 0.000 1.346 298 L CA -0.623 54.153 54.840 -0.107 0.000 1.233 298 L CB -0.761 41.425 42.059 0.211 0.000 1.436 298 L HN 0.409 nan 8.230 nan 0.000 0.416 299 C N -2.600 116.375 119.300 -0.542 0.000 3.108 299 C HA 0.448 4.907 4.460 -0.001 0.000 0.321 299 C C 1.678 176.323 174.990 -0.575 0.000 1.357 299 C CA -0.848 57.938 59.018 -0.386 0.000 1.562 299 C CB 1.980 29.607 27.740 -0.188 0.000 2.003 299 C HN 0.497 nan 8.230 nan 0.000 0.460 300 E N 0.148 120.189 120.200 -0.264 0.000 2.160 300 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 300 E C 1.880 178.387 176.600 -0.156 0.000 0.991 300 E CA 1.654 57.970 56.400 -0.140 0.000 0.810 300 E CB -0.402 29.222 29.700 -0.126 0.000 0.742 300 E HN 0.710 nan 8.360 nan 0.000 0.466 301 H N 0.285 119.282 119.070 -0.122 0.000 2.319 301 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 301 H C 2.281 177.545 175.328 -0.105 0.000 1.092 301 H CA 1.266 57.260 56.048 -0.090 0.000 1.302 301 H CB -0.526 29.186 29.762 -0.084 0.000 1.373 301 H HN 0.132 nan 8.280 nan 0.000 0.497 302 L N 0.288 121.451 121.223 -0.099 0.000 2.027 302 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 302 L C 1.994 178.863 176.870 -0.001 0.000 1.074 302 L CA 1.428 56.197 54.840 -0.118 0.000 0.745 302 L CB -0.661 41.235 42.059 -0.272 0.000 0.898 302 L HN -0.043 nan 8.230 nan 0.000 0.433 303 F N -0.250 119.733 119.950 0.055 0.000 2.293 303 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 303 F C 2.640 178.459 175.800 0.032 0.000 1.086 303 F CA 1.269 59.291 58.000 0.036 0.000 1.375 303 F CB -1.933 37.076 39.000 0.016 0.000 1.045 303 F HN 0.316 nan 8.300 nan 0.000 0.516 304 T N -2.410 112.255 114.554 0.185 0.000 2.978 304 T HA 0.005 4.354 4.350 -0.001 0.000 0.262 304 T C 2.061 176.820 174.700 0.098 0.000 1.063 304 T CA 0.612 62.786 62.100 0.122 0.000 1.140 304 T CB -0.694 68.229 68.868 0.092 0.000 0.886 304 T HN 0.262 nan 8.240 nan 0.000 0.470 305 L N 0.733 122.013 121.223 0.095 0.000 2.093 305 L HA 0.144 4.484 4.340 -0.001 0.000 0.208 305 L C 0.878 177.795 176.870 0.078 0.000 1.085 305 L CA 1.063 55.947 54.840 0.073 0.000 0.755 305 L CB -0.040 42.054 42.059 0.058 0.000 0.904 305 L HN 0.280 nan 8.230 nan 0.000 0.435 306 D N -1.292 119.171 120.400 0.104 0.000 2.378 306 D HA 0.192 4.832 4.640 -0.001 0.000 0.265 306 D C -1.991 174.386 176.300 0.128 0.000 1.229 306 D CA -1.947 52.118 54.000 0.107 0.000 0.914 306 D CB 1.325 42.193 40.800 0.114 0.000 1.140 306 D HN -0.159 nan 8.370 nan 0.000 0.516 307 P HA -0.074 nan 4.420 nan 0.000 0.228 307 P C 1.261 178.597 177.300 0.059 0.000 1.151 307 P CA 0.976 64.123 63.100 0.078 0.000 0.770 307 P CB 0.114 31.845 31.700 0.052 0.000 0.786 308 T N -4.560 110.037 114.554 0.071 0.000 3.085 308 T HA 0.037 4.386 4.350 -0.001 0.000 0.263 308 T C 0.721 175.467 174.700 0.076 0.000 1.127 308 T CA 0.184 62.322 62.100 0.063 0.000 1.103 308 T CB -0.752 68.158 68.868 0.069 0.000 0.921 308 T HN -0.178 nan 8.240 nan 0.000 0.510 309 V N 4.546 124.525 119.914 0.107 0.000 2.498 309 V HA 0.347 4.466 4.120 -0.001 0.000 0.279 309 V C -2.080 174.021 176.094 0.012 0.000 1.048 309 V CA -2.265 60.114 62.300 0.132 0.000 0.967 309 V CB 1.108 33.078 31.823 0.245 0.000 0.988 309 V HN 0.309 nan 8.190 nan 0.000 0.473 310 P HA 0.168 nan 4.420 nan 0.000 0.267 310 P C -2.555 174.446 177.300 -0.499 0.000 1.205 310 P CA -1.600 61.330 63.100 -0.282 0.000 0.765 310 P CB 0.122 31.569 31.700 -0.423 0.000 0.828 311 P HA 0.169 nan 4.420 nan 0.000 0.237 311 P C -0.465 176.263 177.300 -0.953 0.000 1.788 311 P CA 0.121 62.260 63.100 -1.600 0.000 1.061 311 P CB -0.118 30.968 31.700 -1.024 0.000 1.967 312 L N 5.003 125.877 121.223 -0.583 0.000 2.270 312 L HA 0.332 4.672 4.340 -0.001 0.000 0.286 312 L C -1.622 175.321 176.870 0.123 0.000 1.059 312 L CA -2.160 52.577 54.840 -0.171 0.000 0.839 312 L CB 0.793 42.789 42.059 -0.105 0.000 1.221 312 L HN 0.088 nan 8.230 nan 0.000 0.431 313 P HA -0.068 nan 4.420 nan 0.000 0.271 313 P C -0.555 176.879 177.300 0.223 0.000 1.233 313 P CA -0.324 62.936 63.100 0.267 0.000 0.789 313 P CB 0.617 32.426 31.700 0.181 0.000 0.951 314 F N 2.188 122.207 119.950 0.114 0.000 2.502 314 F HA 0.154 4.681 4.527 -0.000 0.000 0.371 314 F C 0.926 176.769 175.800 0.071 0.000 1.083 314 F CA -0.176 57.871 58.000 0.077 0.000 1.174 314 F CB 0.234 39.260 39.000 0.043 0.000 1.096 314 F HN 0.132 nan 8.300 nan 0.000 0.545 315 R N 5.130 125.412 120.500 -0.362 0.000 2.419 315 R HA 0.057 4.397 4.340 -0.001 0.000 0.305 315 R C 1.186 177.350 176.300 -0.227 0.000 1.242 315 R CA -0.123 55.860 56.100 -0.195 0.000 1.105 315 R CB 0.432 30.645 30.300 -0.145 0.000 1.116 315 R HN 0.727 nan 8.270 nan 0.000 0.523 316 E N 2.884 123.105 120.200 0.036 0.000 2.110 316 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 316 E C 1.520 178.206 176.600 0.144 0.000 0.988 316 E CA 1.735 58.269 56.400 0.224 0.000 0.804 316 E CB 0.268 30.148 29.700 0.300 0.000 0.745 316 E HN 0.581 nan 8.360 nan 0.000 0.458 317 E N 0.505 120.745 120.200 0.067 0.000 2.160 317 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 317 E C 2.103 178.716 176.600 0.022 0.000 0.991 317 E CA 1.517 57.941 56.400 0.040 0.000 0.810 317 E CB -0.571 29.142 29.700 0.023 0.000 0.742 317 E HN 0.320 nan 8.360 nan 0.000 0.466 318 V N 0.668 120.583 119.914 0.002 0.000 2.379 318 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 318 V C 2.341 178.463 176.094 0.047 0.000 1.044 318 V CA 1.661 63.961 62.300 -0.000 0.000 1.036 318 V CB -0.935 30.864 31.823 -0.039 0.000 0.664 318 V HN 0.241 nan 8.190 nan 0.000 0.453 319 Y N 1.666 121.932 120.300 -0.057 0.000 2.274 319 Y HA -0.159 4.390 4.550 -0.001 0.000 0.290 319 Y C 2.404 178.347 175.900 0.070 0.000 1.145 319 Y CA 1.511 59.629 58.100 0.030 0.000 1.203 319 Y CB -0.083 38.455 38.460 0.128 0.000 0.984 319 Y HN 0.075 nan 8.280 nan 0.000 0.533 320 R N 0.134 120.560 120.500 -0.123 0.000 2.317 320 R HA 0.096 4.436 4.340 -0.001 0.000 0.208 320 R C 0.924 177.163 176.300 -0.102 0.000 0.914 320 R CA 0.412 56.399 56.100 -0.188 0.000 1.060 320 R CB -0.467 29.802 30.300 -0.052 0.000 1.015 320 R HN 0.165 nan 8.270 nan 0.000 0.498 321 S N 1.383 117.050 115.700 -0.055 0.000 2.558 321 S HA -0.025 4.444 4.470 -0.001 0.000 0.293 321 S C 1.133 175.723 174.600 -0.017 0.000 1.292 321 S CA 0.091 58.278 58.200 -0.021 0.000 1.063 321 S CB 0.536 63.735 63.200 -0.000 0.000 0.831 321 S HN 0.417 nan 8.310 nan 0.000 0.499 322 S N 4.517 120.214 115.700 -0.004 0.000 2.593 322 S HA 0.276 4.746 4.470 -0.001 0.000 0.236 322 S C 0.305 174.917 174.600 0.019 0.000 0.991 322 S CA -0.706 57.500 58.200 0.010 0.000 0.963 322 S CB 0.090 63.287 63.200 -0.004 0.000 0.865 322 S HN 0.717 nan 8.310 nan 0.000 0.488 323 R N 2.482 122.994 120.500 0.020 0.000 2.679 323 R HA 0.277 4.617 4.340 -0.001 0.000 0.268 323 R C -2.608 173.716 176.300 0.040 0.000 1.044 323 R CA -1.207 54.901 56.100 0.014 0.000 1.105 323 R CB -0.735 29.571 30.300 0.010 0.000 0.989 323 R HN 0.234 nan 8.270 nan 0.000 0.447 324 P HA 0.099 nan 4.420 nan 0.000 0.269 324 P C -0.436 176.933 177.300 0.115 0.000 1.215 324 P CA 0.109 63.188 63.100 -0.035 0.000 0.780 324 P CB 0.552 32.181 31.700 -0.118 0.000 0.898 325 L N 2.312 123.739 121.223 0.340 0.000 2.346 325 L HA 0.473 4.812 4.340 -0.001 0.000 0.274 325 L C 0.835 177.715 176.870 0.017 0.000 1.007 325 L CA -0.850 54.056 54.840 0.109 0.000 0.818 325 L CB 1.777 43.794 42.059 -0.070 0.000 1.284 325 L HN 0.192 nan 8.230 nan 0.000 0.424 326 R N 1.980 122.429 120.500 -0.085 0.000 2.205 326 R HA 0.377 4.716 4.340 -0.001 0.000 0.342 326 R C -1.092 175.059 176.300 -0.247 0.000 1.058 326 R CA -0.410 55.615 56.100 -0.124 0.000 0.904 326 R CB 0.965 31.192 30.300 -0.122 0.000 1.089 326 R HN 0.282 nan 8.270 nan 0.000 0.471 327 V N 3.242 123.026 119.914 -0.217 0.000 2.328 327 V HA 0.299 4.418 4.120 -0.001 0.000 0.278 327 V C 0.953 176.958 176.094 -0.149 0.000 1.021 327 V CA -0.845 61.276 62.300 -0.299 0.000 0.838 327 V CB 1.319 32.982 31.823 -0.266 0.000 0.999 327 V HN 0.882 nan 8.190 nan 0.000 0.447 328 G N 4.216 112.842 108.800 -0.290 0.000 2.544 328 G HA2 0.449 4.408 3.960 -0.001 0.000 0.242 328 G HA3 0.449 4.408 3.960 -0.001 0.000 0.242 328 G C -0.890 174.074 174.900 0.107 0.000 1.247 328 G CA 0.006 45.013 45.100 -0.154 0.000 0.840 328 G HN 0.992 nan 8.290 nan 0.000 0.578 329 Y N -0.412 119.951 120.300 0.105 0.000 2.592 329 Y HA 0.650 5.199 4.550 -0.001 0.000 0.334 329 Y C -1.477 174.581 175.900 0.265 0.000 1.136 329 Y CA -2.151 56.012 58.100 0.105 0.000 1.042 329 Y CB 1.126 39.615 38.460 0.048 0.000 1.325 329 Y HN 0.843 nan 8.280 nan 0.000 0.457 330 Y N 0.169 120.596 120.300 0.212 0.000 2.553 330 Y HA 0.565 5.114 4.550 -0.001 0.000 0.347 330 Y C 0.269 176.343 175.900 0.290 0.000 1.019 330 Y CA -1.086 57.111 58.100 0.161 0.000 1.032 330 Y CB 1.986 40.529 38.460 0.138 0.000 1.284 330 Y HN 0.793 nan 8.280 nan 0.000 0.466 331 E N 0.211 120.657 120.200 0.410 0.000 2.476 331 E HA 0.231 4.581 4.350 -0.001 0.000 0.199 331 E C -0.251 176.564 176.600 0.358 0.000 1.021 331 E CA 0.350 56.930 56.400 0.300 0.000 0.907 331 E CB 0.788 30.639 29.700 0.251 0.000 0.974 331 E HN 0.606 nan 8.360 nan 0.000 0.489 332 T N 0.575 115.436 114.554 0.512 0.000 2.942 332 T HA 0.097 4.447 4.350 -0.001 0.000 0.327 332 T C -1.158 173.879 174.700 0.562 0.000 1.360 332 T CA -0.332 62.121 62.100 0.587 0.000 1.055 332 T CB 1.645 70.779 68.868 0.442 0.000 1.261 332 T HN 0.169 nan 8.240 nan 0.000 0.485 333 D N 2.649 123.363 120.400 0.525 0.000 2.339 333 D HA 0.110 4.749 4.640 -0.001 0.000 0.217 333 D C 0.708 177.029 176.300 0.035 0.000 1.050 333 D CA -0.092 53.971 54.000 0.104 0.000 0.856 333 D CB -0.220 40.520 40.800 -0.100 0.000 0.922 333 D HN 0.609 nan 8.370 nan 0.000 0.518 334 N N -1.020 117.711 118.700 0.052 0.000 2.778 334 N HA -0.295 4.444 4.740 -0.001 0.000 0.249 334 N C -0.266 175.215 175.510 -0.049 0.000 1.069 334 N CA 1.122 53.998 53.050 -0.290 0.000 0.831 334 N CB -1.483 36.827 38.487 -0.294 0.000 1.142 334 N HN 0.490 nan 8.380 nan 0.000 0.573 335 Y N 0.170 120.569 120.300 0.165 0.000 2.697 335 Y HA 0.178 4.727 4.550 -0.001 0.000 0.268 335 Y C 0.743 176.946 175.900 0.505 0.000 1.092 335 Y CA 0.950 59.252 58.100 0.337 0.000 1.304 335 Y CB 0.566 39.090 38.460 0.107 0.000 1.446 335 Y HN -0.089 nan 8.280 nan 0.000 0.491 336 T N 3.288 118.133 114.554 0.485 0.000 2.743 336 T HA 0.266 4.616 4.350 -0.001 0.000 0.292 336 T C -0.429 174.566 174.700 0.492 0.000 0.972 336 T CA -0.488 61.877 62.100 0.442 0.000 0.967 336 T CB 0.706 69.823 68.868 0.414 0.000 0.926 336 T HN 0.215 nan 8.240 nan 0.000 0.459 337 M N 6.619 126.274 119.600 0.092 0.000 2.246 337 M HA 0.195 4.675 4.480 -0.001 0.000 0.350 337 M C -2.144 174.334 176.300 0.296 0.000 1.406 337 M CA -1.381 53.797 55.300 -0.204 0.000 1.089 337 M CB 0.654 32.659 32.600 -0.993 0.000 1.782 337 M HN 0.223 nan 8.290 nan 0.000 0.457 338 P HA 0.120 nan 4.420 nan 0.000 0.275 338 P C -0.949 176.538 177.300 0.311 0.000 1.228 338 P CA -0.341 62.931 63.100 0.287 0.000 0.786 338 P CB 0.528 32.336 31.700 0.180 0.000 0.927 339 S N 2.303 118.124 115.700 0.202 0.000 2.589 339 S HA 0.159 4.628 4.470 -0.001 0.000 0.265 339 S C -1.644 173.017 174.600 0.101 0.000 1.342 339 S CA -0.751 57.520 58.200 0.119 0.000 1.005 339 S CB -0.542 62.643 63.200 -0.025 0.000 0.909 339 S HN 0.274 nan 8.310 nan 0.000 0.555 340 P HA -0.089 nan 4.420 nan 0.000 0.216 340 P C 1.615 178.928 177.300 0.021 0.000 1.153 340 P CA 1.973 65.106 63.100 0.055 0.000 0.858 340 P CB -0.288 31.437 31.700 0.043 0.000 0.789 341 A N -1.108 121.709 122.820 -0.005 0.000 1.902 341 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 341 A C 2.247 179.813 177.584 -0.029 0.000 1.181 341 A CA 1.956 53.976 52.037 -0.028 0.000 0.623 341 A CB -1.488 17.479 19.000 -0.054 0.000 0.818 341 A HN 0.100 nan 8.150 nan 0.000 0.443 342 M N -1.465 118.121 119.600 -0.025 0.000 2.080 342 M HA -0.197 4.283 4.480 -0.001 0.000 0.260 342 M C 2.461 178.746 176.300 -0.025 0.000 1.068 342 M CA 2.019 57.295 55.300 -0.039 0.000 1.109 342 M CB -0.273 32.302 32.600 -0.042 0.000 1.342 342 M HN 0.445 nan 8.290 nan 0.000 0.405 343 R N -0.201 120.306 120.500 0.013 0.000 2.075 343 R HA -0.138 4.201 4.340 -0.001 0.000 0.232 343 R C 2.327 178.636 176.300 0.016 0.000 1.126 343 R CA 1.494 57.615 56.100 0.035 0.000 0.963 343 R CB -0.148 30.192 30.300 0.068 0.000 0.858 343 R HN 0.288 nan 8.270 nan 0.000 0.435 344 R N 0.036 120.539 120.500 0.006 0.000 2.075 344 R HA -0.091 4.248 4.340 -0.001 0.000 0.232 344 R C 2.129 178.417 176.300 -0.022 0.000 1.126 344 R CA 1.383 57.480 56.100 -0.005 0.000 0.963 344 R CB -0.304 29.992 30.300 -0.006 0.000 0.858 344 R HN 0.252 nan 8.270 nan 0.000 0.435 345 A N 1.870 124.670 122.820 -0.032 0.000 1.915 345 A HA -0.232 4.087 4.320 -0.001 0.000 0.220 345 A C 2.120 179.674 177.584 -0.051 0.000 1.198 345 A CA 1.672 53.680 52.037 -0.048 0.000 0.647 345 A CB -0.842 18.122 19.000 -0.060 0.000 0.825 345 A HN 0.433 nan 8.150 nan 0.000 0.456 346 L N -0.370 120.828 121.223 -0.043 0.000 2.044 346 L HA -0.052 4.288 4.340 -0.001 0.000 0.205 346 L C 2.367 179.210 176.870 -0.045 0.000 1.075 346 L CA 2.009 56.823 54.840 -0.043 0.000 0.747 346 L CB -0.904 41.143 42.059 -0.021 0.000 0.903 346 L HN 0.479 nan 8.230 nan 0.000 0.435 347 I N 0.215 120.768 120.570 -0.028 0.000 2.286 347 I HA -0.296 3.873 4.170 -0.001 0.000 0.248 347 I C 2.473 178.556 176.117 -0.056 0.000 1.115 347 I CA 1.177 62.452 61.300 -0.041 0.000 1.392 347 I CB -0.170 37.825 38.000 -0.010 0.000 1.065 347 I HN 0.335 nan 8.210 nan 0.000 0.418 348 E N 0.175 120.349 120.200 -0.042 0.000 2.072 348 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 348 E C 2.166 178.737 176.600 -0.048 0.000 0.985 348 E CA 1.706 58.083 56.400 -0.039 0.000 0.801 348 E CB -0.095 29.586 29.700 -0.031 0.000 0.750 348 E HN 0.454 nan 8.360 nan 0.000 0.452 349 T N 1.412 115.931 114.554 -0.058 0.000 2.708 349 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 349 T C 1.803 176.465 174.700 -0.063 0.000 1.037 349 T CA 1.226 63.288 62.100 -0.063 0.000 1.146 349 T CB -0.115 68.704 68.868 -0.082 0.000 0.865 349 T HN 0.110 nan 8.240 nan 0.000 0.435 350 K N 0.987 121.328 120.400 -0.099 0.000 2.044 350 K HA -0.213 4.106 4.320 -0.001 0.000 0.210 350 K C 2.323 178.854 176.600 -0.115 0.000 1.049 350 K CA 1.625 57.815 56.287 -0.162 0.000 0.927 350 K CB -0.172 32.133 32.500 -0.326 0.000 0.713 350 K HN 0.414 nan 8.250 nan 0.000 0.443 351 Q N -0.158 119.590 119.800 -0.088 0.000 2.084 351 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 351 Q C 2.267 178.254 176.000 -0.022 0.000 0.978 351 Q CA 1.412 57.183 55.803 -0.053 0.000 0.844 351 Q CB -0.013 28.701 28.738 -0.041 0.000 0.898 351 Q HN 0.297 nan 8.270 nan 0.000 0.426 352 R N 0.178 120.669 120.500 -0.014 0.000 2.115 352 R HA -0.048 4.291 4.340 -0.001 0.000 0.226 352 R C 2.253 178.582 176.300 0.048 0.000 1.100 352 R CA 0.747 56.853 56.100 0.009 0.000 0.980 352 R CB -0.198 30.103 30.300 0.002 0.000 0.875 352 R HN 0.272 nan 8.270 nan 0.000 0.445 353 L N 0.667 121.923 121.223 0.055 0.000 2.056 353 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 353 L C 2.201 179.172 176.870 0.169 0.000 1.078 353 L CA 1.430 56.357 54.840 0.144 0.000 0.749 353 L CB -0.325 41.783 42.059 0.081 0.000 0.901 353 L HN 0.195 nan 8.230 nan 0.000 0.433 354 E N 0.192 120.432 120.200 0.066 0.000 2.051 354 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 354 E C 2.253 178.870 176.600 0.027 0.000 0.991 354 E CA 1.219 57.643 56.400 0.041 0.000 0.799 354 E CB -0.220 29.480 29.700 0.000 0.000 0.748 354 E HN 0.490 nan 8.360 nan 0.000 0.449 355 A N 0.993 123.826 122.820 0.022 0.000 2.125 355 A HA -0.010 4.309 4.320 -0.001 0.000 0.219 355 A C 2.152 179.741 177.584 0.008 0.000 1.156 355 A CA 1.364 53.408 52.037 0.010 0.000 0.671 355 A CB -0.276 18.729 19.000 0.008 0.000 0.794 355 A HN 0.260 nan 8.150 nan 0.000 0.459 356 A N -2.071 120.769 122.820 0.033 0.000 2.275 356 A HA 0.447 4.766 4.320 -0.001 0.000 0.212 356 A C 1.619 179.123 177.584 -0.133 0.000 1.201 356 A CA 1.081 53.123 52.037 0.007 0.000 0.843 356 A CB -0.602 18.466 19.000 0.113 0.000 0.873 356 A HN 1.750 nan 8.150 nan 0.000 0.492 357 G N -1.211 107.516 108.800 -0.120 0.000 2.163 357 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.213 357 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.213 357 G C 0.031 174.786 174.900 -0.241 0.000 0.991 357 G CA 0.073 45.061 45.100 -0.186 0.000 0.653 357 G HN 0.649 nan 8.290 nan 0.000 0.518 358 H N 0.668 119.734 119.070 -0.007 0.000 2.551 358 H HA 0.463 5.018 4.556 -0.001 0.000 0.358 358 H C -0.043 175.273 175.328 -0.021 0.000 1.151 358 H CA 0.718 56.756 56.048 -0.018 0.000 1.374 358 H CB 1.053 30.808 29.762 -0.010 0.000 1.473 358 H HN 0.099 nan 8.280 nan 0.000 0.574 359 T N 4.282 118.892 114.554 0.094 0.000 2.733 359 T HA 0.195 4.544 4.350 -0.001 0.000 0.294 359 T C 0.409 175.140 174.700 0.051 0.000 0.956 359 T CA -0.702 61.426 62.100 0.048 0.000 0.987 359 T CB 0.296 69.176 68.868 0.019 0.000 0.920 359 T HN 0.123 nan 8.240 nan 0.000 0.470 360 L N 5.137 126.404 121.223 0.074 0.000 2.272 360 L HA 0.552 4.892 4.340 -0.001 0.000 0.289 360 L C -0.197 176.838 176.870 0.274 0.000 1.032 360 L CA -0.320 54.601 54.840 0.135 0.000 0.810 360 L CB 0.932 42.988 42.059 -0.005 0.000 1.205 360 L HN 0.650 nan 8.230 nan 0.000 0.422 361 I N 5.561 126.306 120.570 0.291 0.000 2.436 361 I HA 0.326 4.496 4.170 -0.001 0.000 0.289 361 I C -2.233 173.882 176.117 -0.002 0.000 1.010 361 I CA -2.066 59.326 61.300 0.153 0.000 1.098 361 I CB 2.316 40.336 38.000 0.035 0.000 1.266 361 I HN 0.322 nan 8.210 nan 0.000 0.434 362 P HA 0.090 nan 4.420 nan 0.000 0.264 362 P C -1.094 176.155 177.300 -0.086 0.000 1.193 362 P CA 0.356 63.186 63.100 -0.451 0.000 0.763 362 P CB 0.164 31.709 31.700 -0.258 0.000 0.810 363 F N 4.745 124.559 119.950 -0.227 0.000 2.605 363 F HA 0.545 5.071 4.527 -0.001 0.000 0.320 363 F C -2.013 173.805 175.800 0.029 0.000 1.159 363 F CA -0.941 57.016 58.000 -0.071 0.000 0.999 363 F CB 1.298 40.259 39.000 -0.065 0.000 1.258 363 F HN 0.062 nan 8.300 nan 0.000 0.464 364 L N 8.355 129.223 121.223 -0.593 0.000 2.409 364 L HA 0.705 5.044 4.340 -0.001 0.000 0.272 364 L C -2.555 173.938 176.870 -0.628 0.000 0.980 364 L CA -2.023 52.508 54.840 -0.514 0.000 0.826 364 L CB 1.872 43.692 42.059 -0.398 0.000 1.268 364 L HN 0.350 nan 8.230 nan 0.000 0.407 365 P HA 0.134 nan 4.420 nan 0.000 0.266 365 P C -1.240 175.979 177.300 -0.135 0.000 1.195 365 P CA -0.035 62.966 63.100 -0.165 0.000 0.768 365 P CB 0.214 31.938 31.700 0.040 0.000 0.838 366 N N 1.482 120.145 118.700 -0.061 0.000 2.482 366 N HA 0.019 4.758 4.740 -0.001 0.000 0.260 366 N C 0.045 175.646 175.510 0.152 0.000 1.236 366 N CA -0.363 52.692 53.050 0.008 0.000 0.938 366 N CB -0.246 38.250 38.487 0.016 0.000 1.128 366 N HN 0.253 nan 8.380 nan 0.000 0.448 367 N N -0.030 118.714 118.700 0.074 0.000 2.727 367 N HA -0.201 4.539 4.740 -0.001 0.000 0.249 367 N C 0.294 175.828 175.510 0.040 0.000 1.048 367 N CA 0.606 53.704 53.050 0.080 0.000 0.714 367 N CB -0.898 37.656 38.487 0.113 0.000 0.959 367 N HN 0.661 nan 8.380 nan 0.000 0.544 368 I N 0.475 121.038 120.570 -0.011 0.000 2.208 368 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 368 I C -0.548 175.480 176.117 -0.149 0.000 1.097 368 I CA 1.524 62.762 61.300 -0.103 0.000 1.363 368 I CB -0.896 37.024 38.000 -0.133 0.000 1.051 368 I HN 0.168 nan 8.210 nan 0.000 0.413 369 P HA -0.221 nan 4.420 nan 0.000 0.216 369 P C 1.536 178.830 177.300 -0.010 0.000 1.150 369 P CA 1.479 64.595 63.100 0.027 0.000 0.837 369 P CB -0.151 31.666 31.700 0.196 0.000 0.786 370 Y N 0.558 120.773 120.300 -0.142 0.000 2.263 370 Y HA -0.012 4.538 4.550 -0.001 0.000 0.292 370 Y C 2.294 178.018 175.900 -0.293 0.000 1.130 370 Y CA 1.417 59.413 58.100 -0.174 0.000 1.179 370 Y CB -0.945 37.421 38.460 -0.157 0.000 0.998 370 Y HN -0.127 nan 8.280 nan 0.000 0.532 371 A N 0.648 123.139 122.820 -0.548 0.000 1.933 371 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 371 A C 2.216 179.515 177.584 -0.475 0.000 1.175 371 A CA 1.893 53.480 52.037 -0.750 0.000 0.628 371 A CB -0.961 17.547 19.000 -0.820 0.000 0.814 371 A HN 0.577 nan 8.150 nan 0.000 0.444 372 L N -1.428 119.569 121.223 -0.378 0.000 2.084 372 L HA -0.065 4.274 4.340 -0.001 0.000 0.202 372 L C 2.584 179.343 176.870 -0.185 0.000 1.074 372 L CA 1.279 55.928 54.840 -0.318 0.000 0.757 372 L CB -0.492 41.266 42.059 -0.503 0.000 0.918 372 L HN 0.404 nan 8.230 nan 0.000 0.444 373 E N -0.559 119.557 120.200 -0.139 0.000 2.112 373 E HA -0.107 4.242 4.350 -0.001 0.000 0.190 373 E C 2.110 178.694 176.600 -0.027 0.000 0.979 373 E CA 0.937 57.342 56.400 0.009 0.000 0.814 373 E CB 0.265 30.015 29.700 0.084 0.000 0.762 373 E HN 0.233 nan 8.360 nan 0.000 0.460 374 V N 0.848 120.669 119.914 -0.156 0.000 2.521 374 V HA -0.076 4.043 4.120 -0.001 0.000 0.239 374 V C 2.144 178.089 176.094 -0.248 0.000 1.053 374 V CA 0.707 62.897 62.300 -0.183 0.000 1.073 374 V CB -0.261 31.431 31.823 -0.219 0.000 0.746 374 V HN 0.168 nan 8.190 nan 0.000 0.476 375 L N -0.033 120.934 121.223 -0.426 0.000 2.023 375 L HA -0.079 4.260 4.340 -0.001 0.000 0.205 375 L C 2.628 179.378 176.870 -0.201 0.000 1.073 375 L CA 1.654 56.285 54.840 -0.348 0.000 0.745 375 L CB -0.718 41.044 42.059 -0.495 0.000 0.900 375 L HN 0.289 nan 8.230 nan 0.000 0.435 376 S N -0.534 115.052 115.700 -0.191 0.000 2.345 376 S HA -0.148 4.321 4.470 -0.001 0.000 0.220 376 S C 2.023 176.602 174.600 -0.034 0.000 1.031 376 S CA 1.787 59.920 58.200 -0.111 0.000 0.996 376 S CB -0.393 62.739 63.200 -0.115 0.000 0.882 376 S HN 0.394 nan 8.310 nan 0.000 0.445 377 T N 1.772 116.345 114.554 0.031 0.000 2.720 377 T HA -0.086 4.263 4.350 -0.001 0.000 0.268 377 T C 2.037 176.791 174.700 0.090 0.000 1.037 377 T CA 1.433 63.621 62.100 0.146 0.000 1.144 377 T CB -0.921 68.061 68.868 0.190 0.000 0.864 377 T HN 0.549 nan 8.240 nan 0.000 0.444 378 G N 0.808 109.614 108.800 0.009 0.000 2.418 378 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.217 378 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.217 378 G C 1.703 176.592 174.900 -0.018 0.000 1.158 378 G CA 0.926 46.024 45.100 -0.003 0.000 0.771 378 G HN 0.572 nan 8.290 nan 0.000 0.545 379 G N 0.745 109.514 108.800 -0.050 0.000 2.394 379 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.215 379 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.215 379 G C 1.802 176.629 174.900 -0.122 0.000 1.165 379 G CA 0.548 45.610 45.100 -0.063 0.000 0.784 379 G HN 0.402 nan 8.290 nan 0.000 0.535 380 L N -1.031 120.071 121.223 -0.201 0.000 2.083 380 L HA 0.088 4.428 4.340 -0.001 0.000 0.209 380 L C 1.027 177.432 176.870 -0.776 0.000 1.083 380 L CA 0.739 55.284 54.840 -0.491 0.000 0.752 380 L CB -0.094 41.615 42.059 -0.582 0.000 0.899 380 L HN 0.144 nan 8.230 nan 0.000 0.433 381 F N -1.813 118.073 119.950 -0.106 0.000 2.818 381 F HA 0.204 4.731 4.527 -0.001 0.000 0.369 381 F C 1.612 177.355 175.800 -0.095 0.000 1.327 381 F CA -0.373 57.544 58.000 -0.140 0.000 1.211 381 F CB -0.115 38.764 39.000 -0.202 0.000 1.036 381 F HN -0.194 nan 8.300 nan 0.000 0.510 382 S N -0.089 115.634 115.700 0.039 0.000 2.419 382 S HA -0.196 4.274 4.470 -0.001 0.000 0.235 382 S C 1.603 176.222 174.600 0.031 0.000 1.019 382 S CA 1.721 59.937 58.200 0.027 0.000 0.982 382 S CB -0.202 63.005 63.200 0.011 0.000 0.789 382 S HN 0.617 nan 8.310 nan 0.000 0.490 383 D N -0.129 120.298 120.400 0.046 0.000 2.388 383 D HA 0.241 4.881 4.640 -0.001 0.000 0.221 383 D C 1.129 177.455 176.300 0.043 0.000 1.133 383 D CA 0.503 54.526 54.000 0.040 0.000 0.831 383 D CB -0.420 40.406 40.800 0.044 0.000 0.962 383 D HN 0.354 nan 8.370 nan 0.000 0.502 384 G N -0.137 108.689 108.800 0.044 0.000 2.162 384 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.260 384 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.260 384 G C 1.185 176.073 174.900 -0.020 0.000 0.976 384 G CA 0.401 45.496 45.100 -0.008 0.000 0.655 384 G HN 1.401 nan 8.290 nan 0.000 0.533 385 G N -1.121 107.740 108.800 0.101 0.000 2.176 385 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.253 385 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.253 385 G C 1.138 176.139 174.900 0.168 0.000 0.979 385 G CA 1.278 46.474 45.100 0.160 0.000 0.641 385 G HN 0.840 nan 8.290 nan 0.000 0.530 386 R N 0.538 121.099 120.500 0.102 0.000 2.073 386 R HA -0.031 4.309 4.340 -0.001 0.000 0.234 386 R C 2.753 179.114 176.300 0.101 0.000 1.134 386 R CA 1.834 57.982 56.100 0.080 0.000 0.952 386 R CB -0.425 29.904 30.300 0.048 0.000 0.850 386 R HN 0.440 nan 8.270 nan 0.000 0.433 387 S N 0.738 116.505 115.700 0.112 0.000 2.368 387 S HA -0.169 4.301 4.470 -0.001 0.000 0.225 387 S C 1.531 176.210 174.600 0.132 0.000 1.030 387 S CA 1.312 59.573 58.200 0.102 0.000 0.999 387 S CB -0.372 62.881 63.200 0.089 0.000 0.844 387 S HN 0.314 nan 8.310 nan 0.000 0.459 388 F N 2.272 122.245 119.950 0.038 0.000 2.134 388 F HA -0.048 4.478 4.527 -0.001 0.000 0.299 388 F C 1.767 177.672 175.800 0.176 0.000 1.097 388 F CA 1.248 59.289 58.000 0.068 0.000 1.264 388 F CB -0.358 38.670 39.000 0.047 0.000 1.001 388 F HN 0.080 nan 8.300 nan 0.000 0.479 389 L N -0.026 121.291 121.223 0.156 0.000 2.201 389 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 389 L C 2.510 179.432 176.870 0.086 0.000 1.105 389 L CA 0.591 55.491 54.840 0.101 0.000 0.775 389 L CB -0.727 41.379 42.059 0.078 0.000 0.913 389 L HN 0.184 nan 8.230 nan 0.000 0.440 390 Q N 0.162 119.985 119.800 0.038 0.000 2.135 390 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 390 Q C 1.906 177.885 176.000 -0.035 0.000 0.981 390 Q CA 1.219 57.028 55.803 0.009 0.000 0.856 390 Q CB -0.413 28.329 28.738 0.006 0.000 0.902 390 Q HN 0.580 nan 8.270 nan 0.000 0.425 391 N N -0.235 118.400 118.700 -0.107 0.000 2.272 391 N HA -0.129 4.611 4.740 -0.001 0.000 0.185 391 N C 1.185 176.470 175.510 -0.375 0.000 1.014 391 N CA 0.933 53.816 53.050 -0.278 0.000 0.870 391 N CB -0.175 38.035 38.487 -0.460 0.000 0.975 391 N HN 0.266 nan 8.380 nan 0.000 0.433 392 F N 0.871 120.708 119.950 -0.188 0.000 2.727 392 F HA 0.175 4.701 4.527 -0.001 0.000 0.302 392 F C 1.092 176.826 175.800 -0.110 0.000 1.097 392 F CA -0.350 57.564 58.000 -0.144 0.000 1.330 392 F CB 0.200 39.113 39.000 -0.146 0.000 1.084 392 F HN -0.259 nan 8.300 nan 0.000 0.578 393 K N 1.007 121.429 120.400 0.036 0.000 2.437 393 K HA 0.166 4.485 4.320 -0.001 0.000 0.277 393 K C 1.219 177.792 176.600 -0.044 0.000 1.073 393 K CA 1.015 57.300 56.287 -0.003 0.000 1.105 393 K CB -0.158 32.333 32.500 -0.015 0.000 0.881 393 K HN 0.434 nan 8.250 nan 0.000 0.475 394 G N 2.931 111.696 108.800 -0.059 0.000 2.162 394 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 394 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 394 G C -0.206 174.586 174.900 -0.181 0.000 0.976 394 G CA 0.395 45.429 45.100 -0.111 0.000 0.655 394 G HN 0.732 nan 8.290 nan 0.000 0.533 395 D N -0.760 119.553 120.400 -0.144 0.000 2.340 395 D HA 0.654 5.293 4.640 -0.001 0.000 0.243 395 D C 0.523 176.730 176.300 -0.155 0.000 0.988 395 D CA -0.894 53.002 54.000 -0.174 0.000 0.959 395 D CB 0.701 41.451 40.800 -0.083 0.000 1.226 395 D HN -0.034 nan 8.370 nan 0.000 0.509 396 F N 0.055 120.027 119.950 0.038 0.000 2.450 396 F HA 0.248 4.774 4.527 -0.001 0.000 0.339 396 F C 0.699 176.571 175.800 0.121 0.000 1.146 396 F CA -0.413 57.620 58.000 0.055 0.000 1.267 396 F CB 0.684 39.700 39.000 0.027 0.000 1.178 396 F HN -0.096 nan 8.300 nan 0.000 0.585 397 V N 2.116 122.218 119.914 0.314 0.000 2.334 397 V HA 0.097 4.217 4.120 -0.001 0.000 0.281 397 V C -0.084 176.123 176.094 0.188 0.000 1.016 397 V CA -0.980 61.470 62.300 0.251 0.000 0.832 397 V CB 1.046 32.937 31.823 0.113 0.000 0.999 397 V HN 0.674 nan 8.190 nan 0.000 0.439 398 D N 6.550 127.064 120.400 0.191 0.000 2.455 398 D HA 0.090 4.730 4.640 -0.001 0.000 0.241 398 D C -1.513 174.834 176.300 0.079 0.000 1.138 398 D CA -1.222 52.846 54.000 0.115 0.000 0.877 398 D CB 2.204 43.072 40.800 0.114 0.000 1.187 398 D HN 0.220 nan 8.370 nan 0.000 0.451 399 P HA -0.138 nan 4.420 nan 0.000 0.218 399 P C 1.496 178.802 177.300 0.010 0.000 1.146 399 P CA 0.896 64.008 63.100 0.020 0.000 0.813 399 P CB -0.128 31.573 31.700 0.002 0.000 0.778 400 C N -2.781 116.527 119.300 0.014 0.000 2.491 400 C HA 0.094 4.554 4.460 -0.001 0.000 0.277 400 C C 2.186 177.171 174.990 -0.009 0.000 1.455 400 C CA -0.083 58.927 59.018 -0.014 0.000 1.758 400 C CB -2.178 25.553 27.740 -0.014 0.000 1.745 400 C HN 0.092 nan 8.230 nan 0.000 0.558 401 L N 1.259 122.507 121.223 0.043 0.000 2.558 401 L HA 0.318 4.658 4.340 -0.001 0.000 0.225 401 L C 2.107 178.995 176.870 0.030 0.000 1.128 401 L CA 0.733 55.614 54.840 0.068 0.000 0.868 401 L CB -0.835 41.299 42.059 0.124 0.000 1.006 401 L HN 0.689 nan 8.230 nan 0.000 0.454 402 G N 0.702 109.507 108.800 0.007 0.000 2.583 402 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.292 402 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.292 402 G C 0.269 175.178 174.900 0.013 0.000 1.203 402 G CA 0.378 45.480 45.100 0.002 0.000 0.987 402 G HN 0.284 nan 8.290 nan 0.000 0.554 403 D N 0.641 121.056 120.400 0.026 0.000 2.388 403 D HA 0.243 4.882 4.640 -0.001 0.000 0.221 403 D C 2.222 178.532 176.300 0.017 0.000 1.133 403 D CA -0.008 54.005 54.000 0.023 0.000 0.831 403 D CB 0.552 41.377 40.800 0.041 0.000 0.962 403 D HN 0.256 nan 8.370 nan 0.000 0.502 404 L N 0.542 121.779 121.223 0.023 0.000 2.012 404 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 404 L C 1.734 178.554 176.870 -0.083 0.000 1.073 404 L CA 1.625 56.467 54.840 0.003 0.000 0.748 404 L CB -0.273 41.818 42.059 0.054 0.000 0.891 404 L HN -0.084 nan 8.230 nan 0.000 0.431 405 I N -1.161 119.342 120.570 -0.112 0.000 2.286 405 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 405 I C 2.370 178.403 176.117 -0.139 0.000 1.104 405 I CA 1.132 62.315 61.300 -0.195 0.000 1.397 405 I CB -0.629 37.144 38.000 -0.380 0.000 1.072 405 I HN 0.250 nan 8.210 nan 0.000 0.417 406 L N 0.025 121.191 121.223 -0.095 0.000 2.043 406 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 406 L C 2.410 179.238 176.870 -0.070 0.000 1.075 406 L CA 1.763 56.562 54.840 -0.069 0.000 0.752 406 L CB -0.192 41.844 42.059 -0.037 0.000 0.891 406 L HN 0.168 nan 8.230 nan 0.000 0.432 407 I N -0.873 119.657 120.570 -0.066 0.000 2.233 407 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 407 I C 2.306 178.331 176.117 -0.154 0.000 1.093 407 I CA 1.158 62.412 61.300 -0.078 0.000 1.380 407 I CB -0.256 37.716 38.000 -0.046 0.000 1.067 407 I HN 0.220 nan 8.210 nan 0.000 0.413 408 L N 0.284 121.380 121.223 -0.213 0.000 2.127 408 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 408 L C 2.500 179.275 176.870 -0.158 0.000 1.089 408 L CA 1.357 56.044 54.840 -0.255 0.000 0.757 408 L CB -0.530 41.359 42.059 -0.283 0.000 0.899 408 L HN 0.198 nan 8.230 nan 0.000 0.434 409 R N -0.410 120.017 120.500 -0.122 0.000 2.276 409 R HA 0.086 4.425 4.340 -0.001 0.000 0.203 409 R C 0.463 176.698 176.300 -0.109 0.000 1.017 409 R CA -0.036 56.006 56.100 -0.097 0.000 1.010 409 R CB -0.125 30.122 30.300 -0.087 0.000 0.900 409 R HN 0.260 nan 8.270 nan 0.000 0.469 410 L N 2.737 123.890 121.223 -0.116 0.000 2.485 410 L HA 0.077 4.416 4.340 -0.001 0.000 0.275 410 L C -1.982 174.790 176.870 -0.164 0.000 1.207 410 L CA -1.797 52.964 54.840 -0.132 0.000 0.855 410 L CB -0.016 42.033 42.059 -0.016 0.000 1.114 410 L HN -0.181 nan 8.230 nan 0.000 0.485 411 P HA -0.018 nan 4.420 nan 0.000 0.268 411 P C 0.510 177.634 177.300 -0.294 0.000 1.205 411 P CA 0.003 62.934 63.100 -0.282 0.000 0.771 411 P CB 0.941 32.364 31.700 -0.462 0.000 0.858 412 S N 3.212 118.838 115.700 -0.122 0.000 2.380 412 S HA -0.164 4.305 4.470 -0.001 0.000 0.229 412 S C 1.523 176.115 174.600 -0.012 0.000 1.043 412 S CA 1.543 59.712 58.200 -0.051 0.000 1.038 412 S CB -0.807 62.408 63.200 0.025 0.000 0.872 412 S HN 0.699 nan 8.310 nan 0.000 0.456 413 W N -0.142 121.191 121.300 0.055 0.000 2.374 413 W HA -0.110 4.550 4.660 -0.001 0.000 0.288 413 W C 1.798 178.370 176.519 0.088 0.000 1.218 413 W CA 0.566 57.945 57.345 0.057 0.000 1.245 413 W CB -1.107 28.388 29.460 0.059 0.000 1.126 413 W HN 0.407 nan 8.180 nan 0.000 0.545 414 F N 2.517 121.981 119.950 -0.809 0.000 2.270 414 F HA 0.066 4.593 4.527 -0.001 0.000 0.295 414 F C 2.471 178.076 175.800 -0.326 0.000 1.087 414 F CA 1.578 59.104 58.000 -0.790 0.000 1.365 414 F CB -0.355 37.916 39.000 -1.217 0.000 1.056 414 F HN -0.310 nan 8.300 nan 0.000 0.506 415 K N -0.161 120.083 120.400 -0.260 0.000 2.009 415 K HA -0.224 4.096 4.320 -0.001 0.000 0.210 415 K C 2.278 178.763 176.600 -0.193 0.000 1.049 415 K CA 1.300 57.452 56.287 -0.224 0.000 0.929 415 K CB -0.305 32.104 32.500 -0.150 0.000 0.714 415 K HN -0.010 nan 8.250 nan 0.000 0.440 416 R N 1.570 122.009 120.500 -0.102 0.000 2.097 416 R HA -0.146 4.194 4.340 -0.001 0.000 0.236 416 R C 2.242 178.500 176.300 -0.071 0.000 1.135 416 R CA 1.458 57.531 56.100 -0.045 0.000 0.934 416 R CB -1.084 29.237 30.300 0.034 0.000 0.846 416 R HN 0.186 nan 8.270 nan 0.000 0.431 417 L N 0.420 121.603 121.223 -0.067 0.000 1.970 417 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 417 L C 2.335 179.090 176.870 -0.191 0.000 1.071 417 L CA 1.662 56.458 54.840 -0.072 0.000 0.751 417 L CB -0.888 41.192 42.059 0.035 0.000 0.889 417 L HN 0.251 nan 8.230 nan 0.000 0.432 418 L N -0.932 120.043 121.223 -0.413 0.000 2.079 418 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 418 L C 2.797 179.548 176.870 -0.198 0.000 1.081 418 L CA 2.117 56.722 54.840 -0.391 0.000 0.752 418 L CB -0.968 40.718 42.059 -0.622 0.000 0.896 418 L HN 0.556 nan 8.230 nan 0.000 0.433 419 S N -1.156 114.444 115.700 -0.168 0.000 2.383 419 S HA -0.187 4.283 4.470 -0.001 0.000 0.229 419 S C 2.051 176.614 174.600 -0.061 0.000 1.030 419 S CA 1.566 59.713 58.200 -0.090 0.000 1.002 419 S CB -0.361 62.796 63.200 -0.071 0.000 0.829 419 S HN 0.493 nan 8.310 nan 0.000 0.467 420 L N 0.220 121.407 121.223 -0.061 0.000 2.109 420 L HA -0.013 4.327 4.340 -0.001 0.000 0.207 420 L C 2.432 179.278 176.870 -0.040 0.000 1.086 420 L CA 0.536 55.353 54.840 -0.039 0.000 0.760 420 L CB -0.461 41.583 42.059 -0.025 0.000 0.910 420 L HN 0.308 nan 8.230 nan 0.000 0.437 421 L N -0.425 120.767 121.223 -0.051 0.000 1.994 421 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 421 L C 2.290 179.137 176.870 -0.039 0.000 1.071 421 L CA 1.808 56.622 54.840 -0.042 0.000 0.745 421 L CB -0.508 41.524 42.059 -0.046 0.000 0.892 421 L HN 0.152 nan 8.230 nan 0.000 0.431 422 L N -1.105 120.099 121.223 -0.033 0.000 2.395 422 L HA -0.141 4.198 4.340 -0.001 0.000 0.218 422 L C 2.453 179.302 176.870 -0.035 0.000 1.130 422 L CA 0.507 55.346 54.840 -0.002 0.000 0.826 422 L CB -0.469 41.614 42.059 0.041 0.000 0.941 422 L HN 0.300 nan 8.230 nan 0.000 0.451 423 K N 0.936 121.312 120.400 -0.041 0.000 2.032 423 K HA -0.178 4.142 4.320 -0.001 0.000 0.209 423 K C -0.441 176.121 176.600 -0.063 0.000 1.048 423 K CA 1.546 57.809 56.287 -0.039 0.000 0.927 423 K CB -0.658 31.826 32.500 -0.027 0.000 0.712 423 K HN 0.206 nan 8.250 nan 0.000 0.441 424 P HA -0.127 nan 4.420 nan 0.000 0.217 424 P C 1.251 178.444 177.300 -0.177 0.000 1.150 424 P CA 1.110 64.149 63.100 -0.102 0.000 0.832 424 P CB 0.125 31.769 31.700 -0.094 0.000 0.787 425 L N -2.790 118.261 121.223 -0.286 0.000 2.121 425 L HA 0.090 4.429 4.340 -0.001 0.000 0.200 425 L C 0.508 176.921 176.870 -0.761 0.000 1.077 425 L CA 0.888 55.352 54.840 -0.628 0.000 0.766 425 L CB -0.086 41.446 42.059 -0.879 0.000 0.931 425 L HN -0.175 nan 8.230 nan 0.000 0.452 426 F N -0.291 119.607 119.950 -0.087 0.000 2.550 426 F HA 0.326 4.852 4.527 -0.001 0.000 0.348 426 F C -1.757 173.930 175.800 -0.189 0.000 1.219 426 F CA -2.421 55.488 58.000 -0.151 0.000 1.203 426 F CB 0.114 38.989 39.000 -0.207 0.000 1.436 426 F HN -0.142 nan 8.300 nan 0.000 0.541 427 P HA -0.131 nan 4.420 nan 0.000 0.218 427 P C 1.567 178.791 177.300 -0.126 0.000 1.149 427 P CA 1.336 64.406 63.100 -0.050 0.000 0.817 427 P CB 0.323 32.025 31.700 0.004 0.000 0.785 428 R N -0.309 119.999 120.500 -0.320 0.000 2.081 428 R HA -0.030 4.310 4.340 -0.001 0.000 0.235 428 R C 2.516 178.590 176.300 -0.378 0.000 1.131 428 R CA 1.171 57.024 56.100 -0.410 0.000 0.960 428 R CB -0.937 28.878 30.300 -0.809 0.000 0.856 428 R HN 0.266 nan 8.270 nan 0.000 0.436 429 L N -0.006 120.905 121.223 -0.521 0.000 2.093 429 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 429 L C 2.717 179.562 176.870 -0.042 0.000 1.085 429 L CA 1.066 55.688 54.840 -0.363 0.000 0.755 429 L CB -0.708 41.108 42.059 -0.405 0.000 0.904 429 L HN 0.198 nan 8.230 nan 0.000 0.435 430 A N 0.490 123.281 122.820 -0.047 0.000 1.902 430 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 430 A C 2.565 180.166 177.584 0.029 0.000 1.181 430 A CA 1.880 53.911 52.037 -0.009 0.000 0.623 430 A CB -0.644 18.345 19.000 -0.017 0.000 0.818 430 A HN 0.397 nan 8.150 nan 0.000 0.443 431 A N -1.433 121.421 122.820 0.057 0.000 1.898 431 A HA 0.001 4.320 4.320 -0.001 0.000 0.216 431 A C 2.093 179.779 177.584 0.171 0.000 1.181 431 A CA 1.332 53.428 52.037 0.099 0.000 0.620 431 A CB -0.718 18.350 19.000 0.113 0.000 0.819 431 A HN 0.613 nan 8.150 nan 0.000 0.442 432 F N 0.433 120.426 119.950 0.072 0.000 2.069 432 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 432 F C 2.069 177.893 175.800 0.040 0.000 1.113 432 F CA 1.809 59.883 58.000 0.122 0.000 1.214 432 F CB -0.137 39.033 39.000 0.284 0.000 0.978 432 F HN 0.156 nan 8.300 nan 0.000 0.474 433 L N 0.201 121.447 121.223 0.038 0.000 2.012 433 L HA -0.292 4.047 4.340 -0.001 0.000 0.210 433 L C 2.168 178.966 176.870 -0.120 0.000 1.073 433 L CA 1.755 56.525 54.840 -0.116 0.000 0.748 433 L CB -0.812 41.206 42.059 -0.068 0.000 0.891 433 L HN 0.234 nan 8.230 nan 0.000 0.431 434 N N 0.097 118.764 118.700 -0.054 0.000 2.244 434 N HA -0.164 4.576 4.740 -0.001 0.000 0.183 434 N C 1.275 176.759 175.510 -0.042 0.000 1.016 434 N CA 1.147 54.172 53.050 -0.043 0.000 0.866 434 N CB -0.022 38.459 38.487 -0.011 0.000 0.980 434 N HN 0.261 nan 8.380 nan 0.000 0.430 435 N N 0.024 118.700 118.700 -0.040 0.000 2.268 435 N HA 0.069 4.809 4.740 -0.001 0.000 0.204 435 N C 0.163 175.639 175.510 -0.057 0.000 1.124 435 N CA 0.138 53.171 53.050 -0.028 0.000 0.838 435 N CB 0.220 38.712 38.487 0.008 0.000 0.994 435 N HN 0.553 nan 8.380 nan 0.000 0.489 436 M N -1.286 118.228 119.600 -0.144 0.000 2.771 436 M HA 0.391 4.870 4.480 -0.001 0.000 0.341 436 M C -0.301 175.914 176.300 -0.141 0.000 1.226 436 M CA -0.388 54.803 55.300 -0.182 0.000 0.955 436 M CB 0.344 32.657 32.600 -0.478 0.000 1.318 436 M HN -0.283 nan 8.290 nan 0.000 0.514 437 R N 1.791 122.244 120.500 -0.078 0.000 2.573 437 R HA 0.623 4.963 4.340 -0.001 0.000 0.272 437 R C -2.464 173.823 176.300 -0.022 0.000 1.009 437 R CA -1.556 54.511 56.100 -0.055 0.000 1.059 437 R CB 0.631 30.908 30.300 -0.039 0.000 1.112 437 R HN 0.122 nan 8.270 nan 0.000 0.517 438 P HA 0.085 nan 4.420 nan 0.000 0.272 438 P C -1.154 176.146 177.300 0.001 0.000 1.223 438 P CA -0.028 63.072 63.100 0.001 0.000 0.784 438 P CB 0.860 32.563 31.700 0.004 0.000 0.923 439 R N -0.237 120.262 120.500 -0.002 0.000 2.795 439 R HA 0.581 4.921 4.340 -0.001 0.000 0.268 439 R C -0.604 175.680 176.300 -0.028 0.000 1.041 439 R CA -0.822 55.272 56.100 -0.010 0.000 0.927 439 R CB 0.493 30.790 30.300 -0.005 0.000 1.235 439 R HN 0.469 nan 8.270 nan 0.000 0.463 440 S N -0.121 115.551 115.700 -0.046 0.000 2.624 440 S HA 0.365 4.834 4.470 -0.001 0.000 0.263 440 S C 1.383 175.902 174.600 -0.134 0.000 1.287 440 S CA -0.237 57.911 58.200 -0.086 0.000 0.990 440 S CB 1.410 64.551 63.200 -0.098 0.000 0.950 440 S HN 0.819 nan 8.310 nan 0.000 0.561 441 A N 0.481 123.174 122.820 -0.211 0.000 1.908 441 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 441 A C 2.128 179.366 177.584 -0.577 0.000 1.181 441 A CA 1.857 53.673 52.037 -0.369 0.000 0.627 441 A CB -1.298 17.438 19.000 -0.440 0.000 0.818 441 A HN 1.016 nan 8.150 nan 0.000 0.445 442 E N -0.321 119.582 120.200 -0.495 0.000 2.070 442 E HA -0.259 4.091 4.350 -0.001 0.000 0.197 442 E C 1.795 178.332 176.600 -0.104 0.000 1.004 442 E CA 1.513 57.694 56.400 -0.366 0.000 0.805 442 E CB -0.057 29.523 29.700 -0.200 0.000 0.744 442 E HN 0.379 nan 8.360 nan 0.000 0.451 443 K N 0.373 120.730 120.400 -0.071 0.000 2.097 443 K HA -0.142 4.178 4.320 -0.001 0.000 0.205 443 K C 2.185 178.814 176.600 0.047 0.000 1.050 443 K CA 0.483 56.775 56.287 0.008 0.000 0.938 443 K CB -0.455 32.045 32.500 -0.001 0.000 0.718 443 K HN 0.206 nan 8.250 nan 0.000 0.442 444 L N 0.079 121.312 121.223 0.017 0.000 2.056 444 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 444 L C 1.890 178.893 176.870 0.221 0.000 1.078 444 L CA 1.513 56.402 54.840 0.083 0.000 0.749 444 L CB -0.609 41.483 42.059 0.055 0.000 0.901 444 L HN 0.151 nan 8.230 nan 0.000 0.433 445 W N 0.600 121.922 121.300 0.038 0.000 2.318 445 W HA -0.241 4.418 4.660 -0.000 0.000 0.313 445 W C 2.792 179.356 176.519 0.075 0.000 1.221 445 W CA 1.702 59.074 57.345 0.045 0.000 1.266 445 W CB -1.105 28.372 29.460 0.029 0.000 1.150 445 W HN 0.242 nan 8.180 nan 0.000 0.496 446 K N -0.069 120.522 120.400 0.319 0.000 2.063 446 K HA -0.216 4.104 4.320 -0.001 0.000 0.208 446 K C 2.128 178.848 176.600 0.199 0.000 1.048 446 K CA 1.622 58.054 56.287 0.241 0.000 0.928 446 K CB -0.613 31.993 32.500 0.176 0.000 0.713 446 K HN 0.005 nan 8.250 nan 0.000 0.442 447 L N 1.559 122.873 121.223 0.150 0.000 2.017 447 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 447 L C 2.424 179.356 176.870 0.103 0.000 1.073 447 L CA 1.916 56.813 54.840 0.095 0.000 0.745 447 L CB -0.756 41.337 42.059 0.057 0.000 0.894 447 L HN 0.265 nan 8.230 nan 0.000 0.432 448 Q N -1.247 118.640 119.800 0.144 0.000 2.124 448 Q HA -0.287 4.052 4.340 -0.001 0.000 0.202 448 Q C 2.267 178.368 176.000 0.168 0.000 0.977 448 Q CA 2.067 57.950 55.803 0.134 0.000 0.850 448 Q CB -0.518 28.305 28.738 0.143 0.000 0.901 448 Q HN 0.723 nan 8.270 nan 0.000 0.429 449 H N 0.433 119.550 119.070 0.079 0.000 2.353 449 H HA -0.019 4.536 4.556 -0.001 0.000 0.300 449 H C 1.484 176.865 175.328 0.088 0.000 1.090 449 H CA 2.129 58.218 56.048 0.069 0.000 1.327 449 H CB 0.037 29.840 29.762 0.068 0.000 1.383 449 H HN 0.483 nan 8.280 nan 0.000 0.508 450 E N -0.361 119.863 120.200 0.040 0.000 2.153 450 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 450 E C 2.323 178.957 176.600 0.057 0.000 0.988 450 E CA 1.150 57.559 56.400 0.015 0.000 0.811 450 E CB -0.003 29.758 29.700 0.102 0.000 0.746 450 E HN 0.537 nan 8.360 nan 0.000 0.466 451 I N 1.015 121.617 120.570 0.053 0.000 2.286 451 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 451 I C 2.146 178.321 176.117 0.098 0.000 1.104 451 I CA 1.072 62.415 61.300 0.072 0.000 1.397 451 I CB -0.155 37.868 38.000 0.038 0.000 1.072 451 I HN 0.067 nan 8.210 nan 0.000 0.417 452 E N 0.660 120.909 120.200 0.083 0.000 2.038 452 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 452 E C 2.289 178.920 176.600 0.053 0.000 1.000 452 E CA 1.574 58.025 56.400 0.084 0.000 0.803 452 E CB -0.171 29.611 29.700 0.136 0.000 0.750 452 E HN 0.430 nan 8.360 nan 0.000 0.448 453 M N -0.354 119.239 119.600 -0.012 0.000 2.117 453 M HA -0.187 4.292 4.480 -0.001 0.000 0.262 453 M C 2.285 178.621 176.300 0.061 0.000 1.065 453 M CA 1.447 56.733 55.300 -0.024 0.000 1.114 453 M CB -0.350 32.164 32.600 -0.143 0.000 1.361 453 M HN 0.196 nan 8.290 nan 0.000 0.408 454 Y N 0.742 121.047 120.300 0.008 0.000 2.165 454 Y HA -0.314 4.235 4.550 -0.000 0.000 0.286 454 Y C 2.630 178.547 175.900 0.027 0.000 1.155 454 Y CA 1.857 59.979 58.100 0.036 0.000 1.164 454 Y CB -0.163 38.320 38.460 0.039 0.000 0.978 454 Y HN 0.092 nan 8.280 nan 0.000 0.513 455 R N -0.124 120.344 120.500 -0.053 0.000 2.083 455 R HA -0.211 4.128 4.340 -0.001 0.000 0.237 455 R C 2.254 178.537 176.300 -0.028 0.000 1.137 455 R CA 1.972 58.032 56.100 -0.066 0.000 0.951 455 R CB -0.179 30.154 30.300 0.056 0.000 0.851 455 R HN 0.404 nan 8.270 nan 0.000 0.434 456 Q N -0.028 119.771 119.800 -0.002 0.000 2.119 456 Q HA -0.121 4.219 4.340 -0.001 0.000 0.201 456 Q C 2.168 178.168 176.000 -0.001 0.000 0.972 456 Q CA 1.817 57.629 55.803 0.015 0.000 0.847 456 Q CB -0.166 28.588 28.738 0.027 0.000 0.903 456 Q HN 0.460 nan 8.270 nan 0.000 0.433 457 S N -0.122 115.549 115.700 -0.049 0.000 2.382 457 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 457 S C 2.105 176.680 174.600 -0.041 0.000 1.027 457 S CA 1.313 59.487 58.200 -0.044 0.000 0.991 457 S CB -0.502 62.673 63.200 -0.041 0.000 0.823 457 S HN 0.127 nan 8.310 nan 0.000 0.469 458 V N 1.845 121.678 119.914 -0.136 0.000 2.453 458 V HA -0.001 4.119 4.120 -0.001 0.000 0.247 458 V C 2.449 178.706 176.094 0.272 0.000 1.048 458 V CA 1.407 63.729 62.300 0.036 0.000 1.049 458 V CB -0.777 30.974 31.823 -0.120 0.000 0.672 458 V HN 0.461 nan 8.190 nan 0.000 0.457 459 I N 0.815 121.495 120.570 0.184 0.000 2.208 459 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 459 I C 2.660 178.882 176.117 0.175 0.000 1.097 459 I CA 1.700 63.077 61.300 0.129 0.000 1.363 459 I CB -0.496 37.514 38.000 0.018 0.000 1.051 459 I HN 0.305 nan 8.210 nan 0.000 0.413 460 A N -0.202 122.701 122.820 0.139 0.000 1.898 460 A HA -0.244 4.076 4.320 -0.001 0.000 0.216 460 A C 2.255 179.955 177.584 0.192 0.000 1.181 460 A CA 1.407 53.524 52.037 0.133 0.000 0.620 460 A CB -0.589 18.461 19.000 0.082 0.000 0.819 460 A HN 0.445 nan 8.150 nan 0.000 0.442 461 Q N -1.570 118.373 119.800 0.238 0.000 2.077 461 Q HA -0.229 4.111 4.340 -0.001 0.000 0.206 461 Q C 2.055 178.354 176.000 0.499 0.000 0.989 461 Q CA 1.721 57.719 55.803 0.326 0.000 0.853 461 Q CB -0.276 28.659 28.738 0.328 0.000 0.907 461 Q HN 0.922 nan 8.270 nan 0.000 0.418 462 W N 1.695 123.170 121.300 0.291 0.000 2.355 462 W HA -0.175 4.484 4.660 -0.002 0.000 0.309 462 W C 1.444 177.968 176.519 0.008 0.000 1.206 462 W CA 1.234 58.612 57.345 0.055 0.000 1.284 462 W CB -0.077 29.394 29.460 0.017 0.000 1.145 462 W HN 0.037 nan 8.180 nan 0.000 0.502 463 K N 0.292 120.920 120.400 0.380 0.000 2.211 463 K HA -0.092 4.227 4.320 -0.001 0.000 0.203 463 K C 2.073 178.757 176.600 0.141 0.000 1.050 463 K CA 1.342 57.766 56.287 0.229 0.000 0.945 463 K CB -0.750 31.839 32.500 0.150 0.000 0.732 463 K HN 0.166 nan 8.250 nan 0.000 0.451 464 A N 0.688 123.597 122.820 0.148 0.000 2.067 464 A HA 0.026 4.345 4.320 -0.001 0.000 0.217 464 A C 1.854 179.488 177.584 0.083 0.000 1.156 464 A CA 0.766 52.866 52.037 0.105 0.000 0.683 464 A CB -0.142 18.922 19.000 0.107 0.000 0.808 464 A HN 0.143 nan 8.150 nan 0.000 0.455 465 M N -0.718 118.932 119.600 0.084 0.000 2.453 465 M HA 0.091 4.570 4.480 -0.001 0.000 0.239 465 M C 0.450 176.716 176.300 -0.057 0.000 1.151 465 M CA -0.105 55.208 55.300 0.022 0.000 0.989 465 M CB -0.141 32.487 32.600 0.048 0.000 1.548 465 M HN 0.450 nan 8.290 nan 0.000 0.479 466 N N 2.026 120.715 118.700 -0.018 0.000 2.708 466 N HA -0.177 4.562 4.740 -0.001 0.000 0.251 466 N C -0.833 174.606 175.510 -0.118 0.000 1.017 466 N CA 0.487 53.523 53.050 -0.024 0.000 0.742 466 N CB -1.152 37.329 38.487 -0.010 0.000 0.943 466 N HN 0.433 nan 8.380 nan 0.000 0.539 467 L N -0.518 120.518 121.223 -0.312 0.000 2.467 467 L HA 0.070 4.409 4.340 -0.001 0.000 0.270 467 L C 1.462 178.183 176.870 -0.249 0.000 1.205 467 L CA -0.168 54.336 54.840 -0.560 0.000 0.828 467 L CB 0.356 41.571 42.059 -1.406 0.000 1.101 467 L HN 0.157 nan 8.230 nan 0.000 0.479 468 D N 0.571 120.839 120.400 -0.221 0.000 2.338 468 D HA 0.084 4.724 4.640 -0.001 0.000 0.224 468 D C 0.290 176.611 176.300 0.035 0.000 0.967 468 D CA 1.026 55.007 54.000 -0.032 0.000 0.896 468 D CB 0.775 41.517 40.800 -0.095 0.000 1.028 468 D HN 0.361 nan 8.370 nan 0.000 0.493 469 V N -1.634 118.109 119.914 -0.285 0.000 3.202 469 V HA 0.664 4.784 4.120 -0.001 0.000 0.306 469 V C -1.649 174.124 176.094 -0.535 0.000 1.283 469 V CA -1.153 60.988 62.300 -0.265 0.000 1.065 469 V CB 2.665 34.167 31.823 -0.535 0.000 1.079 469 V HN -0.078 nan 8.190 nan 0.000 0.448 470 L N 1.802 122.882 121.223 -0.239 0.000 2.410 470 L HA 0.830 5.170 4.340 -0.001 0.000 0.270 470 L C -1.212 175.722 176.870 0.107 0.000 0.983 470 L CA -0.620 54.124 54.840 -0.160 0.000 0.822 470 L CB 1.566 43.593 42.059 -0.054 0.000 1.285 470 L HN 0.927 nan 8.230 nan 0.000 0.409 471 L N 4.844 126.142 121.223 0.125 0.000 2.296 471 L HA 0.853 5.192 4.340 -0.001 0.000 0.286 471 L C -0.154 176.675 176.870 -0.069 0.000 1.023 471 L CA 0.448 55.385 54.840 0.161 0.000 0.812 471 L CB 1.528 43.730 42.059 0.239 0.000 1.223 471 L HN 0.888 nan 8.230 nan 0.000 0.421 472 T N 2.544 116.998 114.554 -0.166 0.000 2.865 472 T HA 0.766 5.115 4.350 -0.001 0.000 0.294 472 T C -2.918 171.647 174.700 -0.225 0.000 1.119 472 T CA -2.115 59.743 62.100 -0.402 0.000 1.007 472 T CB 1.960 70.588 68.868 -0.399 0.000 1.225 472 T HN 0.334 nan 8.240 nan 0.000 0.515 473 P HA 0.479 nan 4.420 nan 0.000 0.274 473 P C -1.008 176.103 177.300 -0.316 0.000 1.237 473 P CA -0.615 62.299 63.100 -0.310 0.000 0.793 473 P CB 0.350 31.747 31.700 -0.505 0.000 0.977 474 M N 2.122 121.575 119.600 -0.245 0.000 2.464 474 M HA 0.428 4.908 4.480 -0.001 0.000 0.308 474 M C -1.541 174.716 176.300 -0.071 0.000 1.127 474 M CA -1.373 53.849 55.300 -0.131 0.000 0.913 474 M CB 1.334 33.891 32.600 -0.073 0.000 1.689 474 M HN 0.065 nan 8.290 nan 0.000 0.445 475 L N 4.357 125.628 121.223 0.080 0.000 2.540 475 L HA 0.599 4.939 4.340 -0.001 0.000 0.276 475 L C 0.071 177.110 176.870 0.281 0.000 1.212 475 L CA 1.504 56.486 54.840 0.237 0.000 0.893 475 L CB -0.225 42.109 42.059 0.459 0.000 1.138 475 L HN 0.879 nan 8.230 nan 0.000 0.491 476 G N 4.654 113.531 108.800 0.128 0.000 2.387 476 G HA2 0.375 4.335 3.960 -0.001 0.000 0.294 476 G HA3 0.375 4.335 3.960 -0.001 0.000 0.294 476 G C -3.297 171.548 174.900 -0.092 0.000 1.509 476 G CA -0.692 44.405 45.100 -0.005 0.000 0.806 476 G HN 0.503 nan 8.290 nan 0.000 0.546 477 P HA 0.463 nan 4.420 nan 0.000 0.277 477 P C 0.470 177.445 177.300 -0.540 0.000 1.276 477 P CA 0.177 63.111 63.100 -0.276 0.000 0.788 477 P CB 0.616 32.175 31.700 -0.236 0.000 1.114 478 A N 0.558 122.935 122.820 -0.738 0.000 2.587 478 A HA 0.090 4.410 4.320 -0.001 0.000 0.235 478 A C 0.257 177.426 177.584 -0.691 0.000 1.044 478 A CA 0.222 51.545 52.037 -1.191 0.000 0.754 478 A CB -1.095 17.573 19.000 -0.553 0.000 0.968 478 A HN 0.394 nan 8.150 nan 0.000 0.509 479 L N 2.476 123.306 121.223 -0.655 0.000 2.436 479 L HA 0.212 4.551 4.340 -0.001 0.000 0.265 479 L C 0.550 177.325 176.870 -0.160 0.000 1.168 479 L CA 0.096 54.782 54.840 -0.256 0.000 0.815 479 L CB 0.202 42.202 42.059 -0.099 0.000 1.109 479 L HN 0.620 nan 8.230 nan 0.000 0.462 480 D N 1.221 121.552 120.400 -0.115 0.000 2.443 480 D HA 0.062 4.702 4.640 -0.001 0.000 0.234 480 D C 0.129 176.393 176.300 -0.061 0.000 1.172 480 D CA 0.069 54.023 54.000 -0.076 0.000 0.878 480 D CB 0.351 41.112 40.800 -0.065 0.000 1.204 480 D HN 0.271 nan 8.370 nan 0.000 0.453 481 L N 2.309 123.508 121.223 -0.039 0.000 2.559 481 L HA -0.100 4.239 4.340 -0.001 0.000 0.282 481 L C 1.177 178.018 176.870 -0.049 0.000 1.232 481 L CA 0.531 55.351 54.840 -0.034 0.000 0.885 481 L CB -0.292 41.757 42.059 -0.018 0.000 1.131 481 L HN 0.577 nan 8.230 nan 0.000 0.498 482 N N -0.840 117.822 118.700 -0.063 0.000 2.925 482 N HA -0.213 4.526 4.740 -0.001 0.000 0.244 482 N C 0.788 176.243 175.510 -0.092 0.000 1.000 482 N CA 0.816 53.825 53.050 -0.069 0.000 0.895 482 N CB -0.778 37.684 38.487 -0.042 0.000 1.119 482 N HN 0.918 nan 8.380 nan 0.000 0.569 483 T N -4.488 109.994 114.554 -0.119 0.000 3.023 483 T HA 0.194 4.543 4.350 -0.001 0.000 0.249 483 T C -1.395 173.172 174.700 -0.221 0.000 1.050 483 T CA 0.221 62.245 62.100 -0.128 0.000 1.088 483 T CB -0.228 68.586 68.868 -0.091 0.000 0.946 483 T HN -0.079 nan 8.240 nan 0.000 0.480 484 P HA 0.019 nan 4.420 nan 0.000 0.216 484 P C 1.861 178.804 177.300 -0.595 0.000 1.150 484 P CA 1.438 64.008 63.100 -0.882 0.000 0.837 484 P CB -0.679 30.122 31.700 -1.498 0.000 0.786 485 G N -0.777 107.812 108.800 -0.352 0.000 2.535 485 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 485 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 485 G C 1.463 176.285 174.900 -0.130 0.000 1.122 485 G CA 0.431 45.422 45.100 -0.182 0.000 0.769 485 G HN 0.302 nan 8.290 nan 0.000 0.549 486 R N -0.833 119.582 120.500 -0.140 0.000 2.487 486 R HA 0.334 4.673 4.340 -0.001 0.000 0.272 486 R C 0.839 177.069 176.300 -0.118 0.000 0.928 486 R CA 0.283 56.333 56.100 -0.084 0.000 1.077 486 R CB 0.871 31.158 30.300 -0.022 0.000 1.265 486 R HN 0.173 nan 8.270 nan 0.000 0.537 487 A N 0.973 123.699 122.820 -0.158 0.000 3.175 487 A HA 0.224 4.543 4.320 -0.001 0.000 0.289 487 A C 0.629 178.051 177.584 -0.270 0.000 1.429 487 A CA -0.334 51.630 52.037 -0.122 0.000 1.155 487 A CB -0.081 18.934 19.000 0.026 0.000 1.169 487 A HN 0.034 nan 8.150 nan 0.000 0.574 488 T N -0.088 113.965 114.554 -0.836 0.000 2.942 488 T HA -0.044 4.305 4.350 -0.001 0.000 0.265 488 T C 2.068 176.189 174.700 -0.965 0.000 1.062 488 T CA 1.534 63.015 62.100 -1.032 0.000 1.139 488 T CB 0.045 67.911 68.868 -1.670 0.000 0.883 488 T HN 0.642 nan 8.240 nan 0.000 0.468 489 G N 1.232 109.475 108.800 -0.929 0.000 2.443 489 G HA2 0.007 3.966 3.960 -0.001 0.000 0.219 489 G HA3 0.007 3.966 3.960 -0.001 0.000 0.219 489 G C 1.671 176.619 174.900 0.079 0.000 1.131 489 G CA 0.643 45.668 45.100 -0.125 0.000 0.775 489 G HN 0.570 nan 8.290 nan 0.000 0.547 490 A N 0.662 123.505 122.820 0.039 0.000 2.216 490 A HA 0.153 4.472 4.320 -0.001 0.000 0.214 490 A C 2.448 180.092 177.584 0.100 0.000 1.160 490 A CA 1.513 53.637 52.037 0.145 0.000 0.725 490 A CB -0.449 18.657 19.000 0.176 0.000 0.784 490 A HN 0.870 nan 8.150 nan 0.000 0.472 491 V N -1.443 118.458 119.914 -0.021 0.000 3.305 491 V HA -0.135 3.985 4.120 -0.001 0.000 0.269 491 V C 2.210 178.327 176.094 0.039 0.000 1.157 491 V CA 1.769 64.109 62.300 0.068 0.000 1.157 491 V CB -1.409 30.404 31.823 -0.016 0.000 0.772 491 V HN 0.655 nan 8.190 nan 0.000 0.498 492 S N 0.668 116.361 115.700 -0.011 0.000 2.372 492 S HA -0.340 4.130 4.470 -0.001 0.000 0.227 492 S C 1.863 176.385 174.600 -0.130 0.000 1.044 492 S CA 2.095 60.198 58.200 -0.161 0.000 1.050 492 S CB -1.283 61.805 63.200 -0.187 0.000 0.901 492 S HN 0.622 nan 8.310 nan 0.000 0.447 493 Y N 3.153 123.523 120.300 0.117 0.000 2.207 493 Y HA -0.105 4.444 4.550 -0.001 0.000 0.287 493 Y C 3.290 179.265 175.900 0.125 0.000 1.156 493 Y CA 1.539 59.738 58.100 0.166 0.000 1.182 493 Y CB -1.106 37.461 38.460 0.178 0.000 0.979 493 Y HN 0.656 nan 8.280 nan 0.000 0.521 494 T N -3.812 110.808 114.554 0.109 0.000 2.983 494 T HA -0.092 4.257 4.350 -0.001 0.000 0.250 494 T C 1.826 176.516 174.700 -0.017 0.000 1.037 494 T CA 0.816 62.906 62.100 -0.016 0.000 1.142 494 T CB -0.534 68.100 68.868 -0.389 0.000 0.876 494 T HN 0.164 nan 8.240 nan 0.000 0.455 495 M N 1.437 120.994 119.600 -0.070 0.000 2.202 495 M HA 0.146 4.626 4.480 -0.001 0.000 0.262 495 M C 1.905 178.107 176.300 -0.163 0.000 1.063 495 M CA 0.986 56.225 55.300 -0.102 0.000 1.097 495 M CB -0.957 31.579 32.600 -0.107 0.000 1.382 495 M HN 0.277 nan 8.290 nan 0.000 0.413 496 L N -0.706 120.366 121.223 -0.251 0.000 2.127 496 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 496 L C 1.401 177.918 176.870 -0.590 0.000 1.089 496 L CA 1.976 56.540 54.840 -0.461 0.000 0.757 496 L CB -0.811 40.868 42.059 -0.632 0.000 0.899 496 L HN 0.453 nan 8.230 nan 0.000 0.434 497 Y N -1.378 118.884 120.300 -0.064 0.000 2.500 497 Y HA 0.109 4.658 4.550 -0.001 0.000 0.270 497 Y C 2.302 178.154 175.900 -0.081 0.000 1.134 497 Y CA 0.172 58.214 58.100 -0.095 0.000 1.293 497 Y CB -0.557 37.903 38.460 -0.000 0.000 1.063 497 Y HN 0.261 nan 8.280 nan 0.000 0.534 498 N N -0.604 118.096 118.700 0.000 0.000 2.171 498 N HA -0.200 4.539 4.740 -0.001 0.000 0.184 498 N C 1.987 177.465 175.510 -0.055 0.000 1.021 498 N CA 1.460 54.494 53.050 -0.026 0.000 0.854 498 N CB -0.686 37.774 38.487 -0.045 0.000 0.994 498 N HN 0.362 nan 8.380 nan 0.000 0.426 499 C N 1.383 120.624 119.300 -0.099 0.000 2.429 499 C HA 0.010 4.470 4.460 -0.001 0.000 0.277 499 C C 2.628 177.577 174.990 -0.068 0.000 1.262 499 C CA 0.438 59.400 59.018 -0.094 0.000 1.733 499 C CB -1.177 26.480 27.740 -0.138 0.000 2.010 499 C HN 0.352 nan 8.230 nan 0.000 0.483 500 L N 0.158 121.289 121.223 -0.152 0.000 2.418 500 L HA 0.063 4.403 4.340 -0.001 0.000 0.218 500 L C 0.882 177.709 176.870 -0.072 0.000 1.125 500 L CA 1.146 55.825 54.840 -0.268 0.000 0.835 500 L CB -0.507 41.050 42.059 -0.836 0.000 0.953 500 L HN 0.355 nan 8.230 nan 0.000 0.454 501 D N 0.414 120.813 120.400 -0.001 0.000 2.735 501 D HA -0.266 4.373 4.640 -0.001 0.000 0.235 501 D C -0.538 175.907 176.300 0.242 0.000 1.175 501 D CA 0.679 54.717 54.000 0.064 0.000 0.683 501 D CB -1.144 39.657 40.800 0.001 0.000 1.008 501 D HN 0.164 nan 8.370 nan 0.000 0.416 502 F N 0.157 120.088 119.950 -0.032 0.000 2.480 502 F HA 0.444 4.971 4.527 -0.000 0.000 0.329 502 F C -1.429 174.330 175.800 -0.067 0.000 1.091 502 F CA -2.531 55.423 58.000 -0.077 0.000 0.972 502 F CB 1.943 40.956 39.000 0.021 0.000 1.150 502 F HN -0.115 nan 8.300 nan 0.000 0.467 503 P HA 0.114 nan 4.420 nan 0.000 0.268 503 P C -1.301 176.026 177.300 0.045 0.000 1.204 503 P CA 0.060 63.174 63.100 0.023 0.000 0.768 503 P CB 1.099 32.791 31.700 -0.013 0.000 0.842 504 A N 2.797 125.633 122.820 0.026 0.000 2.437 504 A HA 0.737 5.057 4.320 -0.001 0.000 0.293 504 A C -0.307 177.268 177.584 -0.016 0.000 1.038 504 A CA -0.423 51.606 52.037 -0.013 0.000 0.708 504 A CB 1.626 20.612 19.000 -0.023 0.000 1.251 504 A HN 0.597 nan 8.150 nan 0.000 0.409 505 G N -0.058 108.727 108.800 -0.025 0.000 2.605 505 G HA2 0.814 4.773 3.960 -0.001 0.000 0.296 505 G HA3 0.814 4.773 3.960 -0.001 0.000 0.296 505 G C -0.746 174.117 174.900 -0.061 0.000 1.304 505 G CA -0.085 44.996 45.100 -0.033 0.000 0.941 505 G HN 1.936 nan 8.290 nan 0.000 0.475 506 V N -2.071 117.806 119.914 -0.062 0.000 2.735 506 V HA 0.885 5.005 4.120 -0.001 0.000 0.310 506 V C -0.798 175.258 176.094 -0.064 0.000 1.061 506 V CA -1.055 61.202 62.300 -0.073 0.000 0.913 506 V CB 1.548 33.330 31.823 -0.069 0.000 1.005 506 V HN 0.650 nan 8.190 nan 0.000 0.428 507 V N 4.153 124.019 119.914 -0.080 0.000 2.623 507 V HA 0.515 4.634 4.120 -0.001 0.000 0.304 507 V C -2.619 173.436 176.094 -0.064 0.000 1.054 507 V CA -1.752 60.505 62.300 -0.072 0.000 0.882 507 V CB 2.256 34.012 31.823 -0.112 0.000 1.002 507 V HN 0.878 nan 8.190 nan 0.000 0.424 508 P HA 0.170 nan 4.420 nan 0.000 0.271 508 P C 0.432 177.703 177.300 -0.048 0.000 1.220 508 P CA 0.205 63.280 63.100 -0.042 0.000 0.768 508 P CB 1.012 32.702 31.700 -0.016 0.000 0.848 509 V N -0.156 119.722 119.914 -0.060 0.000 3.426 509 V HA 0.372 4.491 4.120 -0.001 0.000 0.279 509 V C 0.344 176.408 176.094 -0.049 0.000 1.544 509 V CA 0.569 62.836 62.300 -0.056 0.000 1.017 509 V CB 0.357 32.138 31.823 -0.070 0.000 0.821 509 V HN 0.591 nan 8.190 nan 0.000 0.432 510 T N 0.628 115.146 114.554 -0.061 0.000 2.677 510 T HA 0.583 4.932 4.350 -0.001 0.000 0.305 510 T C -1.003 173.642 174.700 -0.091 0.000 1.569 510 T CA 0.571 62.636 62.100 -0.058 0.000 0.984 510 T CB 1.673 70.510 68.868 -0.051 0.000 1.629 510 T HN 0.867 nan 8.240 nan 0.000 0.494 511 T N -0.579 113.925 114.554 -0.083 0.000 2.907 511 T HA 0.698 5.048 4.350 -0.001 0.000 0.292 511 T C -0.380 174.267 174.700 -0.089 0.000 1.043 511 T CA -0.713 61.315 62.100 -0.121 0.000 1.003 511 T CB 1.180 69.984 68.868 -0.106 0.000 1.084 511 T HN 0.530 nan 8.240 nan 0.000 0.483 512 V N 3.601 123.451 119.914 -0.106 0.000 2.540 512 V HA 0.299 4.418 4.120 -0.001 0.000 0.297 512 V C 1.418 177.483 176.094 -0.049 0.000 1.024 512 V CA -0.007 62.246 62.300 -0.078 0.000 1.105 512 V CB -0.100 31.667 31.823 -0.093 0.000 0.938 512 V HN 1.195 nan 8.190 nan 0.000 0.482 513 T N 2.434 116.968 114.554 -0.034 0.000 2.902 513 T HA 0.590 4.939 4.350 -0.001 0.000 0.280 513 T C 1.270 175.960 174.700 -0.017 0.000 0.992 513 T CA -0.141 61.947 62.100 -0.019 0.000 1.015 513 T CB 1.744 70.604 68.868 -0.013 0.000 1.044 513 T HN 0.699 nan 8.240 nan 0.000 0.520 514 A N 0.012 122.826 122.820 -0.010 0.000 1.933 514 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 514 A C 2.261 179.841 177.584 -0.007 0.000 1.175 514 A CA 1.837 53.869 52.037 -0.009 0.000 0.628 514 A CB -1.108 17.890 19.000 -0.004 0.000 0.814 514 A HN 1.042 nan 8.150 nan 0.000 0.444 515 E N 0.004 120.201 120.200 -0.005 0.000 2.058 515 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 515 E C 1.292 177.891 176.600 -0.002 0.000 0.997 515 E CA 1.471 57.870 56.400 -0.001 0.000 0.801 515 E CB -0.181 29.519 29.700 0.000 0.000 0.746 515 E HN 0.562 nan 8.360 nan 0.000 0.450 516 D N 0.524 120.920 120.400 -0.007 0.000 2.116 516 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 516 D C 1.657 177.949 176.300 -0.013 0.000 0.998 516 D CA 1.594 55.589 54.000 -0.009 0.000 0.836 516 D CB -0.492 40.294 40.800 -0.022 0.000 0.951 516 D HN 0.292 nan 8.370 nan 0.000 0.449 517 D N -0.065 120.322 120.400 -0.021 0.000 2.144 517 D HA -0.036 4.603 4.640 -0.001 0.000 0.200 517 D C 1.961 178.250 176.300 -0.017 0.000 0.978 517 D CA 1.366 55.349 54.000 -0.029 0.000 0.833 517 D CB 0.011 40.792 40.800 -0.032 0.000 0.961 517 D HN 0.105 nan 8.370 nan 0.000 0.470 518 A N -0.030 122.786 122.820 -0.008 0.000 1.972 518 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 518 A C 2.083 179.673 177.584 0.009 0.000 1.169 518 A CA 1.298 53.335 52.037 -0.000 0.000 0.635 518 A CB -0.581 18.420 19.000 0.002 0.000 0.810 518 A HN 0.302 nan 8.150 nan 0.000 0.446 519 Q N -1.256 118.552 119.800 0.014 0.000 2.291 519 Q HA -0.059 4.281 4.340 -0.001 0.000 0.205 519 Q C 1.865 177.895 176.000 0.050 0.000 0.970 519 Q CA 0.910 56.731 55.803 0.030 0.000 0.876 519 Q CB -0.182 28.575 28.738 0.032 0.000 0.935 519 Q HN 0.510 nan 8.270 nan 0.000 0.455 520 M N 0.572 120.190 119.600 0.030 0.000 2.260 520 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 520 M C 1.394 177.727 176.300 0.056 0.000 1.066 520 M CA 1.306 56.623 55.300 0.028 0.000 1.082 520 M CB -0.525 32.044 32.600 -0.053 0.000 1.388 520 M HN 0.160 nan 8.290 nan 0.000 0.419 521 E N -0.017 120.206 120.200 0.039 0.000 2.333 521 E HA -0.054 4.295 4.350 -0.001 0.000 0.198 521 E C 1.775 178.411 176.600 0.060 0.000 1.007 521 E CA 0.792 57.216 56.400 0.041 0.000 0.845 521 E CB -0.189 29.526 29.700 0.024 0.000 0.766 521 E HN 0.540 nan 8.360 nan 0.000 0.507 522 L N -0.296 120.971 121.223 0.073 0.000 2.667 522 L HA 0.156 4.495 4.340 -0.001 0.000 0.232 522 L C 0.420 177.339 176.870 0.083 0.000 1.138 522 L CA -0.423 54.455 54.840 0.062 0.000 0.921 522 L CB -0.072 42.012 42.059 0.042 0.000 1.180 522 L HN -0.013 nan 8.230 nan 0.000 0.487 523 Y N 1.868 122.159 120.300 -0.016 0.000 2.436 523 Y HA 0.058 4.607 4.550 -0.001 0.000 0.336 523 Y C 1.113 176.995 175.900 -0.030 0.000 1.049 523 Y CA 0.318 58.400 58.100 -0.029 0.000 1.294 523 Y CB 0.593 39.038 38.460 -0.025 0.000 1.179 523 Y HN -0.040 nan 8.280 nan 0.000 0.520 524 K N 4.197 124.426 120.400 -0.284 0.000 2.399 524 K HA 0.310 4.629 4.320 -0.001 0.000 0.196 524 K C 0.545 176.984 176.600 -0.269 0.000 1.103 524 K CA 0.426 56.612 56.287 -0.169 0.000 0.986 524 K CB 0.573 32.997 32.500 -0.126 0.000 0.952 524 K HN 0.970 nan 8.250 nan 0.000 0.541 525 G N 1.050 109.426 108.800 -0.707 0.000 2.819 525 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.682 525 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.682 525 G C -0.110 174.541 174.900 -0.415 0.000 1.481 525 G CA -0.407 44.366 45.100 -0.545 0.000 0.904 525 G HN 0.157 nan 8.290 nan 0.000 0.563 526 Y N -0.157 120.038 120.300 -0.175 0.000 2.544 526 Y HA 0.344 4.893 4.550 -0.001 0.000 0.286 526 Y C 2.302 177.831 175.900 -0.619 0.000 1.141 526 Y CA 1.261 59.113 58.100 -0.413 0.000 1.299 526 Y CB -0.066 38.057 38.460 -0.561 0.000 1.030 526 Y HN 0.461 nan 8.280 nan 0.000 0.543 527 F N -2.218 117.755 119.950 0.038 0.000 2.711 527 F HA 0.378 4.905 4.527 -0.001 0.000 0.296 527 F C 2.002 177.824 175.800 0.036 0.000 1.096 527 F CA 0.424 58.435 58.000 0.019 0.000 1.280 527 F CB 0.134 39.119 39.000 -0.025 0.000 1.060 527 F HN -0.083 nan 8.300 nan 0.000 0.608 528 G N 1.458 110.370 108.800 0.187 0.000 2.168 528 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 528 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 528 G C -0.208 174.793 174.900 0.169 0.000 0.997 528 G CA 0.555 45.741 45.100 0.144 0.000 0.708 528 G HN 0.448 nan 8.290 nan 0.000 0.520 529 D N -0.775 119.715 120.400 0.151 0.000 2.451 529 D HA 0.484 5.123 4.640 -0.001 0.000 0.259 529 D C 1.506 177.728 176.300 -0.129 0.000 1.201 529 D CA -0.864 53.101 54.000 -0.059 0.000 1.028 529 D CB 0.256 40.936 40.800 -0.199 0.000 1.095 529 D HN 0.064 nan 8.370 nan 0.000 0.539 530 I N -0.482 119.901 120.570 -0.312 0.000 2.335 530 I HA -0.157 4.013 4.170 -0.001 0.000 0.251 530 I C 1.303 177.480 176.117 0.099 0.000 1.129 530 I CA 0.927 62.150 61.300 -0.129 0.000 1.402 530 I CB -0.569 37.325 38.000 -0.176 0.000 1.069 530 I HN 0.428 nan 8.210 nan 0.000 0.424 531 W N 0.674 121.918 121.300 -0.093 0.000 2.363 531 W HA -0.149 4.511 4.660 -0.001 0.000 0.296 531 W C 2.373 178.905 176.519 0.022 0.000 1.212 531 W CA 0.928 58.244 57.345 -0.048 0.000 1.260 531 W CB -1.494 27.920 29.460 -0.078 0.000 1.131 531 W HN 0.179 nan 8.180 nan 0.000 0.530 532 D N -0.205 120.360 120.400 0.276 0.000 2.123 532 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 532 D C 2.281 178.709 176.300 0.213 0.000 0.976 532 D CA 1.133 55.289 54.000 0.261 0.000 0.831 532 D CB -0.490 40.444 40.800 0.223 0.000 0.974 532 D HN 0.099 nan 8.370 nan 0.000 0.469 533 I N 0.746 121.401 120.570 0.142 0.000 2.226 533 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 533 I C 2.187 178.346 176.117 0.070 0.000 1.100 533 I CA 0.556 61.913 61.300 0.096 0.000 1.374 533 I CB 0.010 38.042 38.000 0.054 0.000 1.057 533 I HN -0.003 nan 8.210 nan 0.000 0.413 534 I N 0.022 120.636 120.570 0.074 0.000 2.202 534 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 534 I C 2.506 178.633 176.117 0.018 0.000 1.091 534 I CA 1.473 62.797 61.300 0.040 0.000 1.368 534 I CB -0.985 37.044 38.000 0.047 0.000 1.058 534 I HN 0.245 nan 8.210 nan 0.000 0.410 535 L N 1.263 122.515 121.223 0.048 0.000 2.046 535 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 535 L C 2.586 179.379 176.870 -0.128 0.000 1.077 535 L CA 1.865 56.705 54.840 0.000 0.000 0.747 535 L CB -0.773 41.333 42.059 0.078 0.000 0.896 535 L HN 0.150 nan 8.230 nan 0.000 0.432 536 K N -0.280 120.052 120.400 -0.113 0.000 2.009 536 K HA -0.296 4.023 4.320 -0.001 0.000 0.210 536 K C 2.344 178.851 176.600 -0.155 0.000 1.049 536 K CA 2.137 58.288 56.287 -0.226 0.000 0.929 536 K CB -0.223 32.299 32.500 0.036 0.000 0.714 536 K HN 0.317 nan 8.250 nan 0.000 0.440 537 K N -0.106 120.251 120.400 -0.072 0.000 2.057 537 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 537 K C 1.969 178.521 176.600 -0.081 0.000 1.049 537 K CA 1.218 57.470 56.287 -0.059 0.000 0.931 537 K CB -0.181 32.301 32.500 -0.030 0.000 0.714 537 K HN 0.261 nan 8.250 nan 0.000 0.440 538 A N 0.780 123.548 122.820 -0.086 0.000 1.972 538 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 538 A C 1.935 179.442 177.584 -0.129 0.000 1.169 538 A CA 1.378 53.359 52.037 -0.093 0.000 0.635 538 A CB -0.323 18.631 19.000 -0.078 0.000 0.810 538 A HN 0.350 nan 8.150 nan 0.000 0.446 539 M N -0.563 118.940 119.600 -0.161 0.000 2.556 539 M HA 0.068 4.547 4.480 -0.001 0.000 0.245 539 M C 0.340 176.544 176.300 -0.159 0.000 1.128 539 M CA 0.298 55.486 55.300 -0.187 0.000 1.069 539 M CB 0.036 32.496 32.600 -0.233 0.000 1.469 539 M HN 0.197 nan 8.290 nan 0.000 0.494 540 K N 1.378 121.700 120.400 -0.130 0.000 2.156 540 K HA 0.055 4.374 4.320 -0.001 0.000 0.242 540 K C 0.368 176.920 176.600 -0.080 0.000 1.033 540 K CA -0.156 56.075 56.287 -0.093 0.000 0.878 540 K CB 0.132 32.590 32.500 -0.070 0.000 1.057 540 K HN 0.198 nan 8.250 nan 0.000 0.505 541 N N 0.292 118.956 118.700 -0.059 0.000 2.725 541 N HA -0.155 4.584 4.740 -0.001 0.000 0.251 541 N C -0.750 174.726 175.510 -0.055 0.000 1.031 541 N CA 0.685 53.707 53.050 -0.047 0.000 0.720 541 N CB -0.968 37.495 38.487 -0.040 0.000 0.930 541 N HN 0.383 nan 8.380 nan 0.000 0.543 542 S N -0.780 114.880 115.700 -0.067 0.000 2.650 542 S HA 0.150 4.620 4.470 -0.001 0.000 0.240 542 S C 0.717 175.275 174.600 -0.069 0.000 1.007 542 S CA -0.371 57.779 58.200 -0.084 0.000 0.984 542 S CB 1.259 64.385 63.200 -0.123 0.000 0.910 542 S HN 0.193 nan 8.310 nan 0.000 0.509 543 V N 2.191 122.080 119.914 -0.041 0.000 2.617 543 V HA 0.297 4.416 4.120 -0.001 0.000 0.304 543 V C 1.532 177.619 176.094 -0.012 0.000 1.040 543 V CA 1.408 63.692 62.300 -0.027 0.000 1.149 543 V CB 0.067 31.884 31.823 -0.011 0.000 0.914 543 V HN 0.673 nan 8.190 nan 0.000 0.487 544 G N 3.742 112.531 108.800 -0.019 0.000 2.199 544 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.254 544 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.254 544 G C 0.095 174.946 174.900 -0.081 0.000 0.982 544 G CA 0.068 45.177 45.100 0.014 0.000 0.632 544 G HN 0.556 nan 8.290 nan 0.000 0.529 545 L N 2.465 123.584 121.223 -0.174 0.000 2.417 545 L HA 0.387 4.726 4.340 -0.001 0.000 0.268 545 L C -1.419 175.166 176.870 -0.475 0.000 1.158 545 L CA -1.866 52.743 54.840 -0.385 0.000 0.819 545 L CB 0.753 42.646 42.059 -0.276 0.000 1.112 545 L HN 0.008 nan 8.230 nan 0.000 0.458 546 P HA 0.215 nan 4.420 nan 0.000 0.277 546 P C -1.023 176.112 177.300 -0.275 0.000 1.240 546 P CA -0.243 62.558 63.100 -0.497 0.000 0.798 546 P CB 1.681 33.019 31.700 -0.603 0.000 0.979 547 V N 1.127 120.935 119.914 -0.177 0.000 2.841 547 V HA 0.715 4.835 4.120 -0.001 0.000 0.310 547 V C 0.133 176.177 176.094 -0.082 0.000 1.090 547 V CA -0.715 61.519 62.300 -0.109 0.000 0.930 547 V CB 1.823 33.587 31.823 -0.099 0.000 1.014 547 V HN 0.840 nan 8.190 nan 0.000 0.425 548 A N 3.066 125.851 122.820 -0.058 0.000 2.387 548 A HA 1.031 5.351 4.320 -0.001 0.000 0.298 548 A C -0.586 176.950 177.584 -0.079 0.000 1.165 548 A CA -0.458 51.542 52.037 -0.062 0.000 0.814 548 A CB 2.093 21.069 19.000 -0.041 0.000 1.357 548 A HN 1.600 nan 8.150 nan 0.000 0.443 549 V N -2.182 117.674 119.914 -0.097 0.000 3.046 549 V HA 0.761 4.880 4.120 -0.001 0.000 0.316 549 V C -0.546 175.477 176.094 -0.119 0.000 1.104 549 V CA -0.722 61.509 62.300 -0.115 0.000 1.006 549 V CB 1.450 33.196 31.823 -0.128 0.000 1.058 549 V HN 1.012 nan 8.190 nan 0.000 0.440 550 Q N 0.432 120.165 119.800 -0.112 0.000 2.282 550 Q HA 0.594 4.933 4.340 -0.001 0.000 0.260 550 Q C -1.546 174.401 176.000 -0.087 0.000 0.964 550 Q CA -0.525 55.221 55.803 -0.095 0.000 0.880 550 Q CB 1.814 30.517 28.738 -0.060 0.000 1.286 550 Q HN 0.992 nan 8.270 nan 0.000 0.445 551 C N 3.515 122.768 119.300 -0.077 0.000 2.322 551 C HA 0.739 5.198 4.460 -0.001 0.000 0.324 551 C C -0.497 174.538 174.990 0.076 0.000 1.284 551 C CA -0.652 58.383 59.018 0.029 0.000 1.606 551 C CB 0.678 28.354 27.740 -0.106 0.000 2.251 551 C HN 0.616 nan 8.230 nan 0.000 0.502 552 V N 2.766 122.771 119.914 0.151 0.000 2.735 552 V HA 0.918 5.038 4.120 -0.001 0.000 0.310 552 V C 0.182 176.435 176.094 0.265 0.000 1.061 552 V CA -0.147 62.211 62.300 0.096 0.000 0.913 552 V CB 1.751 33.519 31.823 -0.092 0.000 1.005 552 V HN 1.106 nan 8.190 nan 0.000 0.428 553 A N 3.553 126.471 122.820 0.163 0.000 2.483 553 A HA 0.921 5.240 4.320 -0.001 0.000 0.286 553 A C -0.778 176.579 177.584 -0.380 0.000 1.207 553 A CA -0.831 51.255 52.037 0.082 0.000 0.764 553 A CB 1.085 20.114 19.000 0.049 0.000 1.341 553 A HN 0.731 nan 8.150 nan 0.000 0.428 554 L N 0.674 121.480 121.223 -0.695 0.000 2.476 554 L HA 0.242 4.581 4.340 -0.001 0.000 0.264 554 L C -2.013 174.411 176.870 -0.742 0.000 1.224 554 L CA -1.521 52.632 54.840 -1.145 0.000 0.821 554 L CB 0.108 41.594 42.059 -0.955 0.000 1.101 554 L HN 0.392 nan 8.230 nan 0.000 0.488 555 P HA -0.128 nan 4.420 nan 0.000 0.264 555 P C -0.813 176.285 177.300 -0.337 0.000 1.183 555 P CA 0.469 63.219 63.100 -0.583 0.000 0.763 555 P CB 0.072 31.448 31.700 -0.540 0.000 0.807 556 W N 0.190 121.425 121.300 -0.108 0.000 2.869 556 W HA -0.191 4.468 4.660 -0.001 0.000 0.285 556 W C 0.466 176.934 176.519 -0.086 0.000 1.098 556 W CA -0.006 57.294 57.345 -0.075 0.000 0.571 556 W CB -2.180 27.235 29.460 -0.076 0.000 2.131 556 W HN 0.375 nan 8.180 nan 0.000 1.367 557 Q N 0.431 120.240 119.800 0.015 0.000 2.465 557 Q HA 0.140 4.479 4.340 -0.001 0.000 0.361 557 Q C 1.156 177.162 176.000 0.009 0.000 0.957 557 Q CA 0.245 56.045 55.803 -0.005 0.000 1.065 557 Q CB 0.522 29.223 28.738 -0.063 0.000 1.274 557 Q HN 0.324 nan 8.270 nan 0.000 0.421 558 E N 0.753 120.976 120.200 0.039 0.000 2.118 558 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 558 E C 1.249 177.885 176.600 0.058 0.000 0.992 558 E CA 1.374 57.812 56.400 0.063 0.000 0.804 558 E CB 0.309 30.077 29.700 0.113 0.000 0.741 558 E HN 0.383 nan 8.360 nan 0.000 0.458 559 E N -0.073 120.108 120.200 -0.031 0.000 2.072 559 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 559 E C 1.827 178.481 176.600 0.089 0.000 0.985 559 E CA 0.483 56.834 56.400 -0.082 0.000 0.801 559 E CB -0.200 29.308 29.700 -0.319 0.000 0.750 559 E HN 0.104 nan 8.360 nan 0.000 0.452 560 L N 0.582 121.840 121.223 0.058 0.000 2.046 560 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 560 L C 2.245 179.205 176.870 0.151 0.000 1.077 560 L CA 1.610 56.504 54.840 0.089 0.000 0.747 560 L CB -0.867 41.221 42.059 0.048 0.000 0.896 560 L HN 0.337 nan 8.230 nan 0.000 0.432 561 C N -0.710 118.673 119.300 0.139 0.000 2.413 561 C HA -0.192 4.268 4.460 -0.001 0.000 0.276 561 C C 2.797 177.911 174.990 0.207 0.000 1.236 561 C CA 1.204 60.330 59.018 0.180 0.000 1.735 561 C CB -1.081 26.729 27.740 0.118 0.000 2.031 561 C HN 0.601 nan 8.230 nan 0.000 0.474 562 L N 0.803 122.152 121.223 0.210 0.000 2.093 562 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 562 L C 2.818 179.918 176.870 0.383 0.000 1.085 562 L CA 1.730 56.731 54.840 0.268 0.000 0.755 562 L CB -0.690 41.513 42.059 0.239 0.000 0.904 562 L HN 0.374 nan 8.230 nan 0.000 0.435 563 R N 0.520 121.243 120.500 0.371 0.000 2.091 563 R HA -0.245 4.095 4.340 -0.001 0.000 0.238 563 R C 2.161 178.583 176.300 0.204 0.000 1.136 563 R CA 1.830 58.062 56.100 0.219 0.000 0.959 563 R CB -1.207 29.180 30.300 0.145 0.000 0.856 563 R HN 0.361 nan 8.270 nan 0.000 0.437 564 F N 0.315 120.287 119.950 0.035 0.000 2.113 564 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 564 F C 1.992 177.784 175.800 -0.013 0.000 1.103 564 F CA 1.399 59.385 58.000 -0.024 0.000 1.248 564 F CB -0.013 38.967 39.000 -0.032 0.000 0.999 564 F HN 0.027 nan 8.300 nan 0.000 0.475 565 M N 0.040 119.606 119.600 -0.056 0.000 2.149 565 M HA -0.243 4.237 4.480 -0.001 0.000 0.261 565 M C 2.307 178.560 176.300 -0.078 0.000 1.064 565 M CA 1.798 57.001 55.300 -0.162 0.000 1.102 565 M CB -0.589 31.988 32.600 -0.039 0.000 1.369 565 M HN 0.128 nan 8.290 nan 0.000 0.408 566 R N 0.465 120.991 120.500 0.042 0.000 2.081 566 R HA -0.205 4.134 4.340 -0.001 0.000 0.235 566 R C 1.992 178.293 176.300 0.002 0.000 1.131 566 R CA 1.833 57.965 56.100 0.053 0.000 0.960 566 R CB -0.082 30.269 30.300 0.086 0.000 0.856 566 R HN 0.211 nan 8.270 nan 0.000 0.436 567 E N 0.030 120.231 120.200 0.001 0.000 2.031 567 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 567 E C 1.868 178.437 176.600 -0.052 0.000 0.994 567 E CA 1.766 58.172 56.400 0.009 0.000 0.800 567 E CB -0.197 29.541 29.700 0.064 0.000 0.752 567 E HN 0.177 nan 8.360 nan 0.000 0.447 568 V N 0.997 120.808 119.914 -0.171 0.000 2.255 568 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 568 V C 2.468 178.495 176.094 -0.111 0.000 1.051 568 V CA 2.339 64.518 62.300 -0.201 0.000 1.018 568 V CB -0.668 30.933 31.823 -0.370 0.000 0.641 568 V HN 0.418 nan 8.190 nan 0.000 0.445 569 E N -0.390 119.756 120.200 -0.092 0.000 2.070 569 E HA -0.315 4.035 4.350 -0.001 0.000 0.197 569 E C 2.365 178.954 176.600 -0.019 0.000 1.004 569 E CA 1.713 58.087 56.400 -0.043 0.000 0.805 569 E CB -0.189 29.500 29.700 -0.018 0.000 0.744 569 E HN 0.572 nan 8.360 nan 0.000 0.451 570 Q N 0.412 120.206 119.800 -0.010 0.000 2.084 570 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 570 Q C 2.358 178.360 176.000 0.004 0.000 0.978 570 Q CA 1.245 57.051 55.803 0.005 0.000 0.844 570 Q CB -0.104 28.642 28.738 0.013 0.000 0.898 570 Q HN 0.403 nan 8.270 nan 0.000 0.426 571 L N -0.360 120.863 121.223 -0.001 0.000 2.240 571 L HA -0.085 4.255 4.340 -0.001 0.000 0.211 571 L C 2.226 179.092 176.870 -0.007 0.000 1.106 571 L CA 0.477 55.320 54.840 0.004 0.000 0.793 571 L CB -0.120 41.947 42.059 0.013 0.000 0.927 571 L HN 0.204 nan 8.230 nan 0.000 0.446 572 M N -1.310 118.278 119.600 -0.020 0.000 2.461 572 M HA 0.130 4.610 4.480 -0.001 0.000 0.255 572 M C 0.590 176.883 176.300 -0.012 0.000 1.137 572 M CA 0.659 55.946 55.300 -0.022 0.000 1.086 572 M CB -0.062 32.514 32.600 -0.041 0.000 1.356 572 M HN 0.223 nan 8.290 nan 0.000 0.487 573 T N -1.516 113.035 114.554 -0.006 0.000 3.905 573 T HA 0.398 4.747 4.350 -0.001 0.000 0.227 573 T C -2.573 172.134 174.700 0.011 0.000 1.055 573 T CA -1.199 60.904 62.100 0.006 0.000 1.607 573 T CB 0.272 69.144 68.868 0.008 0.000 0.781 573 T HN -0.087 nan 8.240 nan 0.000 0.639 574 P HA 0.000 nan 4.420 nan 0.000 0.216 574 P CA 0.000 63.108 63.100 0.014 0.000 0.800 574 P CB 0.000 31.708 31.700 0.013 0.000 0.726