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 3fay_1_A DATA FIRST_RESID 961 DATA SEQUENCE ASKEKREKLE AYQHLFYLLQ TNPTYLAKLI FQXPQNKSTK FXDSVIFTLY DATA SEQUENCE NYASNQREEY LLLRLFKTAL QEEIKSKVDQ IQEIVTGNPT VIKXVVSFNR DATA SEQUENCE GARGQNALRQ ILAPVVKEIX DDKSLNIKTD PVDIYKSWVN QXESQTGEAS DATA SEQUENCE KLPYDVTPEQ ALAHEEVKTR LDSSIRNXRA VTDKFLSAIV SSVDKIPYGX DATA SEQUENCE RFIAKVLKDS LHEKFPDAGE DELLKIIGNL LYYRYXNPAI VAPDAFDIID DATA SEQUENCE LSAGGQLTTD QRRNLGSIAK XLQHAASNKX FLGDNAHLSI INEYLSQSYQ DATA SEQUENCE KFRRFFQTAC DVPELQDKFN VDEYSDLVTL TKPVIYISIG EIINTHTLLL DATA SEQUENCE DHQDAIAPEH NDPIHELLDD LGEVPTIES 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 961 A HA 0.000 nan 4.320 nan 0.000 0.244 961 A C 0.000 177.590 177.584 0.010 0.000 1.274 961 A CA 0.000 52.041 52.037 0.007 0.000 0.836 961 A CB 0.000 19.005 19.000 0.008 0.000 0.831 962 S N 0.341 116.046 115.700 0.009 0.000 2.425 962 S HA 0.049 4.522 4.470 0.006 0.000 0.225 962 S C 1.793 176.398 174.600 0.009 0.000 1.024 962 S CA 1.807 60.014 58.200 0.012 0.000 0.951 962 S CB -0.298 62.908 63.200 0.012 0.000 0.796 962 S HN 0.493 nan 8.310 nan 0.000 0.498 963 K N 0.565 120.967 120.400 0.003 0.000 2.209 963 K HA -0.127 4.197 4.320 0.006 0.000 0.204 963 K C 1.483 178.080 176.600 -0.005 0.000 1.048 963 K CA 1.045 57.331 56.287 -0.002 0.000 0.940 963 K CB 0.038 32.534 32.500 -0.007 0.000 0.729 963 K HN 0.320 nan 8.250 nan 0.000 0.451 964 E N 1.155 121.355 120.200 -0.001 0.000 2.031 964 E HA -0.224 4.130 4.350 0.006 0.000 0.193 964 E C 1.870 178.472 176.600 0.003 0.000 0.994 964 E CA 1.244 57.642 56.400 -0.003 0.000 0.800 964 E CB -0.187 29.515 29.700 0.004 0.000 0.752 964 E HN 0.201 nan 8.360 nan 0.000 0.447 965 K N 0.981 121.391 120.400 0.017 0.000 1.987 965 K HA -0.188 4.136 4.320 0.006 0.000 0.216 965 K C 2.217 178.835 176.600 0.029 0.000 1.051 965 K CA 1.480 57.787 56.287 0.033 0.000 0.942 965 K CB -0.134 32.388 32.500 0.037 0.000 0.722 965 K HN -0.137 nan 8.250 nan 0.000 0.444 966 R N 1.069 121.581 120.500 0.019 0.000 2.136 966 R HA -0.197 4.147 4.340 0.006 0.000 0.242 966 R C 2.154 178.451 176.300 -0.005 0.000 1.131 966 R CA 2.375 58.482 56.100 0.012 0.000 0.937 966 R CB -0.759 29.543 30.300 0.004 0.000 0.863 966 R HN 0.514 nan 8.270 nan 0.000 0.435 967 E N -0.013 120.173 120.200 -0.023 0.000 2.130 967 E HA -0.230 4.124 4.350 0.006 0.000 0.196 967 E C 2.100 178.654 176.600 -0.077 0.000 0.998 967 E CA 1.314 57.684 56.400 -0.050 0.000 0.806 967 E CB -0.130 29.538 29.700 -0.053 0.000 0.738 967 E HN 0.298 nan 8.360 nan 0.000 0.459 968 K N 0.799 121.159 120.400 -0.065 0.000 2.057 968 K HA -0.083 4.240 4.320 0.006 0.000 0.206 968 K C 2.163 178.718 176.600 -0.075 0.000 1.050 968 K CA 0.621 56.832 56.287 -0.127 0.000 0.935 968 K CB 0.043 32.501 32.500 -0.070 0.000 0.715 968 K HN 0.069 nan 8.250 nan 0.000 0.439 969 L N 0.749 122.008 121.223 0.060 0.000 2.083 969 L HA -0.189 4.155 4.340 0.006 0.000 0.209 969 L C 2.117 179.016 176.870 0.048 0.000 1.083 969 L CA 1.422 56.346 54.840 0.140 0.000 0.752 969 L CB -0.308 41.813 42.059 0.103 0.000 0.899 969 L HN 0.289 nan 8.230 nan 0.000 0.433 970 E N -0.020 120.171 120.200 -0.016 0.000 2.150 970 E HA -0.174 4.179 4.350 0.006 0.000 0.193 970 E C 2.288 178.839 176.600 -0.082 0.000 0.985 970 E CA 0.978 57.352 56.400 -0.043 0.000 0.814 970 E CB -0.103 29.566 29.700 -0.053 0.000 0.752 970 E HN 0.486 nan 8.360 nan 0.000 0.466 971 A N 0.640 123.370 122.820 -0.149 0.000 1.902 971 A HA -0.189 4.135 4.320 0.006 0.000 0.217 971 A C 1.843 179.249 177.584 -0.297 0.000 1.181 971 A CA 1.157 53.060 52.037 -0.222 0.000 0.623 971 A CB -0.807 18.001 19.000 -0.319 0.000 0.818 971 A HN 0.296 nan 8.150 nan 0.000 0.443 972 Y N -0.150 119.939 120.300 -0.351 0.000 2.181 972 Y HA -0.250 4.304 4.550 0.006 0.000 0.288 972 Y C 2.983 178.326 175.900 -0.929 0.000 1.146 972 Y CA 1.330 58.974 58.100 -0.760 0.000 1.164 972 Y CB -0.042 38.019 38.460 -0.665 0.000 0.982 972 Y HN 0.296 nan 8.280 nan 0.000 0.515 973 Q N -0.573 119.089 119.800 -0.231 0.000 2.096 973 Q HA -0.281 4.063 4.340 0.006 0.000 0.204 973 Q C 2.040 178.033 176.000 -0.012 0.000 0.982 973 Q CA 1.958 57.728 55.803 -0.055 0.000 0.850 973 Q CB -0.722 28.022 28.738 0.009 0.000 0.901 973 Q HN 0.620 nan 8.270 nan 0.000 0.422 974 H N 0.623 119.617 119.070 -0.127 0.000 2.353 974 H HA -0.125 4.435 4.556 0.006 0.000 0.300 974 H C 1.895 177.200 175.328 -0.038 0.000 1.090 974 H CA 1.605 57.618 56.048 -0.059 0.000 1.327 974 H CB -0.247 29.456 29.762 -0.099 0.000 1.383 974 H HN 0.164 nan 8.280 nan 0.000 0.508 975 L N -0.310 120.780 121.223 -0.222 0.000 2.017 975 L HA -0.095 4.249 4.340 0.006 0.000 0.208 975 L C 2.021 178.836 176.870 -0.092 0.000 1.073 975 L CA 1.666 56.354 54.840 -0.253 0.000 0.745 975 L CB -0.993 40.890 42.059 -0.294 0.000 0.894 975 L HN 0.379 nan 8.230 nan 0.000 0.432 976 F N -2.020 117.899 119.950 -0.052 0.000 2.161 976 F HA -0.298 4.233 4.527 0.006 0.000 0.300 976 F C 2.379 178.112 175.800 -0.112 0.000 1.089 976 F CA 1.046 58.996 58.000 -0.083 0.000 1.282 976 F CB -0.505 38.464 39.000 -0.051 0.000 1.010 976 F HN 0.196 nan 8.300 nan 0.000 0.485 977 Y N 0.842 121.137 120.300 -0.007 0.000 2.224 977 Y HA -0.227 4.327 4.550 0.006 0.000 0.289 977 Y C 2.159 177.987 175.900 -0.119 0.000 1.146 977 Y CA 1.090 59.145 58.100 -0.074 0.000 1.182 977 Y CB -0.490 37.924 38.460 -0.076 0.000 0.983 977 Y HN 0.016 nan 8.280 nan 0.000 0.524 978 L N -0.157 120.940 121.223 -0.210 0.000 2.093 978 L HA -0.171 4.173 4.340 0.006 0.000 0.208 978 L C 2.067 178.864 176.870 -0.122 0.000 1.085 978 L CA 1.634 56.341 54.840 -0.223 0.000 0.755 978 L CB -0.725 41.205 42.059 -0.216 0.000 0.904 978 L HN 0.295 nan 8.230 nan 0.000 0.435 979 L N -1.080 120.085 121.223 -0.096 0.000 2.046 979 L HA -0.239 4.105 4.340 0.006 0.000 0.208 979 L C 2.622 179.420 176.870 -0.119 0.000 1.077 979 L CA 1.438 56.268 54.840 -0.017 0.000 0.747 979 L CB -0.689 41.356 42.059 -0.023 0.000 0.896 979 L HN 0.404 nan 8.230 nan 0.000 0.432 980 Q N -0.447 119.168 119.800 -0.310 0.000 2.079 980 Q HA -0.160 4.184 4.340 0.006 0.000 0.200 980 Q C 2.189 178.042 176.000 -0.246 0.000 0.974 980 Q CA 2.060 57.609 55.803 -0.422 0.000 0.840 980 Q CB -0.158 28.282 28.738 -0.497 0.000 0.898 980 Q HN 0.633 nan 8.270 nan 0.000 0.430 981 T N -2.297 112.026 114.554 -0.384 0.000 3.088 981 T HA 0.029 4.382 4.350 0.006 0.000 0.259 981 T C 0.288 174.832 174.700 -0.261 0.000 1.122 981 T CA 0.331 62.196 62.100 -0.391 0.000 1.095 981 T CB -0.001 68.470 68.868 -0.662 0.000 0.930 981 T HN 0.032 nan 8.240 nan 0.000 0.508 982 N N 2.359 120.959 118.700 -0.167 0.000 2.746 982 N HA 0.317 5.060 4.740 0.006 0.000 0.250 982 N C -2.160 173.261 175.510 -0.150 0.000 1.146 982 N CA -1.833 51.111 53.050 -0.178 0.000 0.828 982 N CB 1.893 40.257 38.487 -0.205 0.000 1.158 982 N HN 0.084 nan 8.380 nan 0.000 0.519 983 P HA -0.217 nan 4.420 nan 0.000 0.219 983 P C 0.868 178.105 177.300 -0.104 0.000 1.144 983 P CA 1.287 64.340 63.100 -0.078 0.000 0.806 983 P CB 0.323 31.966 31.700 -0.094 0.000 0.771 984 T N -0.508 113.914 114.554 -0.221 0.000 2.665 984 T HA -0.210 4.143 4.350 0.006 0.000 0.268 984 T C 1.665 176.262 174.700 -0.173 0.000 1.035 984 T CA 1.638 63.590 62.100 -0.246 0.000 1.151 984 T CB -1.153 67.491 68.868 -0.374 0.000 0.862 984 T HN 0.202 nan 8.240 nan 0.000 0.438 985 Y N 1.180 121.452 120.300 -0.047 0.000 2.053 985 Y HA -0.132 4.422 4.550 0.007 0.000 0.277 985 Y C 2.430 178.323 175.900 -0.012 0.000 1.159 985 Y CA 0.909 58.990 58.100 -0.032 0.000 1.125 985 Y CB -0.535 37.899 38.460 -0.043 0.000 0.969 985 Y HN 0.113 nan 8.280 nan 0.000 0.492 986 L N -0.809 120.513 121.223 0.165 0.000 2.217 986 L HA -0.147 4.197 4.340 0.006 0.000 0.211 986 L C 2.687 179.596 176.870 0.065 0.000 1.107 986 L CA 0.625 55.525 54.840 0.100 0.000 0.783 986 L CB -0.742 41.381 42.059 0.107 0.000 0.919 986 L HN 0.258 nan 8.230 nan 0.000 0.442 987 A N 0.317 123.163 122.820 0.045 0.000 1.877 987 A HA -0.189 4.135 4.320 0.006 0.000 0.216 987 A C 2.342 179.963 177.584 0.060 0.000 1.186 987 A CA 1.440 53.501 52.037 0.040 0.000 0.620 987 A CB -0.277 18.721 19.000 -0.002 0.000 0.822 987 A HN 0.199 nan 8.150 nan 0.000 0.443 988 K N -0.610 119.811 120.400 0.035 0.000 2.057 988 K HA -0.137 4.186 4.320 0.006 0.000 0.207 988 K C 1.927 178.581 176.600 0.090 0.000 1.049 988 K CA 1.330 57.644 56.287 0.046 0.000 0.931 988 K CB -0.887 31.633 32.500 0.033 0.000 0.714 988 K HN 0.441 nan 8.250 nan 0.000 0.440 989 L N 1.679 122.934 121.223 0.053 0.000 2.012 989 L HA -0.144 4.200 4.340 0.006 0.000 0.210 989 L C 2.180 179.019 176.870 -0.052 0.000 1.073 989 L CA 1.437 56.258 54.840 -0.033 0.000 0.748 989 L CB -0.391 41.659 42.059 -0.016 0.000 0.891 989 L HN 0.077 nan 8.230 nan 0.000 0.431 990 I N -1.560 119.021 120.570 0.018 0.000 2.226 990 I HA -0.326 3.847 4.170 0.006 0.000 0.245 990 I C 2.300 178.447 176.117 0.049 0.000 1.100 990 I CA 1.452 62.763 61.300 0.017 0.000 1.374 990 I CB -0.406 37.619 38.000 0.042 0.000 1.057 990 I HN 0.254 nan 8.210 nan 0.000 0.413 991 F N 1.394 121.320 119.950 -0.041 0.000 2.126 991 F HA -0.196 4.334 4.527 0.006 0.000 0.299 991 F C 1.997 177.782 175.800 -0.025 0.000 1.096 991 F CA 1.260 59.246 58.000 -0.023 0.000 1.255 991 F CB -0.065 38.929 39.000 -0.010 0.000 0.997 991 F HN 0.068 nan 8.300 nan 0.000 0.479 995 Q N 2.094 121.868 119.800 -0.043 0.000 2.489 995 Q HA 0.228 4.572 4.340 0.006 0.000 0.231 995 Q C -0.089 175.897 176.000 -0.023 0.000 1.273 995 Q CA 0.395 56.172 55.803 -0.043 0.000 0.898 995 Q CB 0.046 28.753 28.738 -0.051 0.000 1.545 995 Q HN 0.269 nan 8.270 nan 0.000 0.538 996 N N 1.122 119.814 118.700 -0.013 0.000 2.466 996 N HA 0.159 4.903 4.740 0.006 0.000 0.294 996 N C 0.816 176.326 175.510 0.000 0.000 1.129 996 N CA -0.440 52.609 53.050 -0.003 0.000 0.931 996 N CB 1.352 39.844 38.487 0.008 0.000 1.193 996 N HN 0.202 nan 8.380 nan 0.000 0.500 997 K N -0.135 120.268 120.400 0.005 0.000 2.280 997 K HA -0.036 4.287 4.320 0.006 0.000 0.202 997 K C 0.744 177.354 176.600 0.016 0.000 1.047 997 K CA 0.726 57.019 56.287 0.010 0.000 0.942 997 K CB 0.121 32.629 32.500 0.012 0.000 0.739 997 K HN 0.304 nan 8.250 nan 0.000 0.457 998 S N -0.033 115.678 115.700 0.020 0.000 2.537 998 S HA 0.193 4.666 4.470 0.006 0.000 0.301 998 S C 0.470 175.088 174.600 0.031 0.000 1.092 998 S CA -0.805 57.413 58.200 0.030 0.000 1.048 998 S CB 1.566 64.786 63.200 0.035 0.000 1.053 998 S HN 0.248 nan 8.310 nan 0.000 0.501 999 T N 0.870 115.443 114.554 0.030 0.000 3.132 999 T HA 0.243 4.596 4.350 0.006 0.000 0.274 999 T C 1.292 175.998 174.700 0.010 0.000 1.011 999 T CA -0.267 61.839 62.100 0.011 0.000 0.899 999 T CB 0.126 68.982 68.868 -0.020 0.000 1.089 999 T HN 0.540 nan 8.240 nan 0.000 0.543 1000 K N 1.485 121.916 120.400 0.052 0.000 2.071 1000 K HA -0.144 4.180 4.320 0.006 0.000 0.217 1000 K C 0.601 177.256 176.600 0.092 0.000 1.054 1000 K CA 1.173 57.504 56.287 0.073 0.000 0.937 1000 K CB -0.897 31.657 32.500 0.090 0.000 0.719 1000 K HN 0.479 nan 8.250 nan 0.000 0.454 1004 S N 0.559 116.077 115.700 -0.303 0.000 2.402 1004 S HA -0.065 4.409 4.470 0.006 0.000 0.229 1004 S C 2.018 176.499 174.600 -0.200 0.000 1.021 1004 S CA 1.278 59.416 58.200 -0.103 0.000 0.974 1004 S CB -0.463 62.736 63.200 -0.002 0.000 0.800 1004 S HN 0.100 nan 8.310 nan 0.000 0.484 1005 V N 2.290 121.978 119.914 -0.377 0.000 2.270 1005 V HA -0.107 4.017 4.120 0.006 0.000 0.245 1005 V C 2.583 178.529 176.094 -0.247 0.000 1.043 1005 V CA 1.499 63.582 62.300 -0.362 0.000 1.014 1005 V CB -0.651 30.858 31.823 -0.524 0.000 0.645 1005 V HN 0.436 nan 8.190 nan 0.000 0.447 1006 I N -0.435 119.978 120.570 -0.262 0.000 2.133 1006 I HA -0.171 4.002 4.170 0.006 0.000 0.238 1006 I C 2.489 178.664 176.117 0.097 0.000 1.074 1006 I CA 1.821 63.068 61.300 -0.089 0.000 1.342 1006 I CB -1.453 36.474 38.000 -0.123 0.000 1.053 1006 I HN 0.260 nan 8.210 nan 0.000 0.404 1007 F N 1.322 121.138 119.950 -0.225 0.000 2.120 1007 F HA -0.266 4.265 4.527 0.006 0.000 0.300 1007 F C 2.735 178.279 175.800 -0.425 0.000 1.095 1007 F CA 1.249 58.954 58.000 -0.492 0.000 1.249 1007 F CB -0.850 37.540 39.000 -1.017 0.000 0.995 1007 F HN 0.116 nan 8.300 nan 0.000 0.480 1008 T N 1.077 115.600 114.554 -0.052 0.000 2.720 1008 T HA -0.177 4.176 4.350 0.006 0.000 0.268 1008 T C 1.922 176.623 174.700 0.003 0.000 1.037 1008 T CA 1.059 63.206 62.100 0.080 0.000 1.144 1008 T CB -0.483 68.409 68.868 0.041 0.000 0.864 1008 T HN 0.209 nan 8.240 nan 0.000 0.444 1009 L N -0.544 120.627 121.223 -0.088 0.000 2.353 1009 L HA -0.058 4.286 4.340 0.006 0.000 0.220 1009 L C 1.262 177.960 176.870 -0.285 0.000 1.133 1009 L CA 1.185 55.871 54.840 -0.257 0.000 0.798 1009 L CB -0.363 41.501 42.059 -0.326 0.000 0.922 1009 L HN 0.357 nan 8.230 nan 0.000 0.445 1010 Y N -1.302 118.958 120.300 -0.067 0.000 2.584 1010 Y HA 0.203 4.757 4.550 0.006 0.000 0.254 1010 Y C 0.759 176.691 175.900 0.054 0.000 1.177 1010 Y CA -0.848 57.229 58.100 -0.038 0.000 1.216 1010 Y CB -0.109 38.271 38.460 -0.132 0.000 1.172 1010 Y HN 0.111 nan 8.280 nan 0.000 0.529 1011 N N 0.069 118.909 118.700 0.233 0.000 2.721 1011 N HA -0.304 4.439 4.740 0.006 0.000 0.249 1011 N C -0.772 174.997 175.510 0.432 0.000 1.072 1011 N CA 1.319 54.571 53.050 0.336 0.000 0.710 1011 N CB -1.900 36.772 38.487 0.309 0.000 0.993 1011 N HN 0.627 nan 8.380 nan 0.000 0.547 1012 Y N -2.455 117.991 120.300 0.243 0.000 3.721 1012 Y HA -0.288 4.265 4.550 0.006 0.000 0.218 1012 Y C 1.099 177.158 175.900 0.265 0.000 1.188 1012 Y CA 1.587 59.840 58.100 0.255 0.000 1.607 1012 Y CB -1.998 36.584 38.460 0.203 0.000 1.496 1012 Y HN 0.595 nan 8.280 nan 0.000 0.626 1013 A N -1.008 121.972 122.820 0.267 0.000 2.667 1013 A HA -0.210 4.114 4.320 0.006 0.000 0.298 1013 A C 1.522 179.251 177.584 0.241 0.000 1.483 1013 A CA 1.173 53.344 52.037 0.225 0.000 0.738 1013 A CB -1.764 17.385 19.000 0.249 0.000 1.067 1013 A HN 1.428 nan 8.150 nan 0.000 0.451 1014 S N -0.678 115.157 115.700 0.226 0.000 2.447 1014 S HA 0.050 4.524 4.470 0.006 0.000 0.233 1014 S C 0.606 175.297 174.600 0.153 0.000 1.006 1014 S CA 1.092 59.401 58.200 0.182 0.000 0.957 1014 S CB -0.430 62.876 63.200 0.177 0.000 0.773 1014 S HN 1.933 nan 8.310 nan 0.000 0.507 1015 N N -0.689 118.106 118.700 0.159 0.000 2.647 1015 N HA 0.264 5.007 4.740 0.006 0.000 0.266 1015 N C 0.189 175.795 175.510 0.159 0.000 1.373 1015 N CA -0.933 52.200 53.050 0.139 0.000 0.807 1015 N CB 0.629 39.186 38.487 0.117 0.000 1.513 1015 N HN -0.022 nan 8.380 nan 0.000 0.505 1016 Q N -0.375 119.522 119.800 0.161 0.000 2.135 1016 Q HA -0.160 4.184 4.340 0.006 0.000 0.204 1016 Q C 1.710 177.810 176.000 0.167 0.000 0.981 1016 Q CA 1.496 57.440 55.803 0.234 0.000 0.856 1016 Q CB 0.028 28.898 28.738 0.220 0.000 0.902 1016 Q HN 0.627 nan 8.270 nan 0.000 0.425 1017 R N 0.139 120.698 120.500 0.098 0.000 2.073 1017 R HA -0.168 4.175 4.340 0.006 0.000 0.234 1017 R C 1.865 178.238 176.300 0.121 0.000 1.134 1017 R CA 1.914 58.052 56.100 0.063 0.000 0.952 1017 R CB -0.016 30.309 30.300 0.041 0.000 0.850 1017 R HN 0.369 nan 8.270 nan 0.000 0.433 1018 E N -0.053 120.230 120.200 0.138 0.000 2.106 1018 E HA -0.216 4.138 4.350 0.006 0.000 0.192 1018 E C 1.916 178.562 176.600 0.075 0.000 0.984 1018 E CA 1.127 57.631 56.400 0.173 0.000 0.806 1018 E CB -0.058 29.759 29.700 0.194 0.000 0.750 1018 E HN 0.453 nan 8.360 nan 0.000 0.458 1019 E N 0.348 120.585 120.200 0.062 0.000 2.051 1019 E HA -0.247 4.106 4.350 0.006 0.000 0.192 1019 E C 1.942 178.409 176.600 -0.222 0.000 0.991 1019 E CA 1.045 57.447 56.400 0.003 0.000 0.799 1019 E CB -0.126 29.719 29.700 0.242 0.000 0.748 1019 E HN 0.295 nan 8.360 nan 0.000 0.449 1020 Y N 1.137 121.133 120.300 -0.507 0.000 2.114 1020 Y HA -0.212 4.341 4.550 0.005 0.000 0.284 1020 Y C 1.970 177.616 175.900 -0.424 0.000 1.143 1020 Y CA 1.816 59.411 58.100 -0.841 0.000 1.135 1020 Y CB -0.309 37.671 38.460 -0.801 0.000 0.980 1020 Y HN 0.022 nan 8.280 nan 0.000 0.499 1021 L N -0.673 120.439 121.223 -0.184 0.000 2.083 1021 L HA -0.199 4.144 4.340 0.006 0.000 0.209 1021 L C 2.402 179.075 176.870 -0.327 0.000 1.083 1021 L CA 0.981 55.736 54.840 -0.142 0.000 0.752 1021 L CB -0.709 41.460 42.059 0.184 0.000 0.899 1021 L HN 0.333 nan 8.230 nan 0.000 0.433 1022 L N 0.041 120.931 121.223 -0.556 0.000 2.017 1022 L HA -0.199 4.145 4.340 0.006 0.000 0.208 1022 L C 2.341 178.565 176.870 -1.078 0.000 1.073 1022 L CA 1.741 55.870 54.840 -1.185 0.000 0.745 1022 L CB -0.445 40.849 42.059 -1.274 0.000 0.894 1022 L HN 0.091 nan 8.230 nan 0.000 0.432 1023 L N -0.925 119.866 121.223 -0.720 0.000 2.127 1023 L HA -0.216 4.128 4.340 0.006 0.000 0.211 1023 L C 2.754 179.474 176.870 -0.251 0.000 1.089 1023 L CA 1.115 55.727 54.840 -0.380 0.000 0.757 1023 L CB -0.511 41.419 42.059 -0.216 0.000 0.899 1023 L HN 0.267 nan 8.230 nan 0.000 0.434 1024 R N -0.449 119.799 120.500 -0.419 0.000 2.081 1024 R HA -0.180 4.163 4.340 0.006 0.000 0.235 1024 R C 2.216 178.406 176.300 -0.184 0.000 1.131 1024 R CA 1.274 57.197 56.100 -0.294 0.000 0.960 1024 R CB -0.463 29.603 30.300 -0.391 0.000 0.856 1024 R HN 0.197 nan 8.270 nan 0.000 0.436 1025 L N 0.522 121.580 121.223 -0.275 0.000 2.017 1025 L HA -0.126 4.217 4.340 0.006 0.000 0.208 1025 L C 1.865 178.719 176.870 -0.027 0.000 1.073 1025 L CA 1.693 56.423 54.840 -0.183 0.000 0.745 1025 L CB -0.715 41.162 42.059 -0.304 0.000 0.894 1025 L HN 0.093 nan 8.230 nan 0.000 0.432 1026 F N 0.083 119.943 119.950 -0.150 0.000 2.095 1026 F HA -0.315 4.215 4.527 0.005 0.000 0.298 1026 F C 2.662 178.418 175.800 -0.073 0.000 1.104 1026 F CA 1.419 59.357 58.000 -0.104 0.000 1.232 1026 F CB -0.366 38.569 39.000 -0.109 0.000 0.987 1026 F HN 0.161 nan 8.300 nan 0.000 0.475 1027 K N 0.427 120.925 120.400 0.162 0.000 2.009 1027 K HA -0.185 4.138 4.320 0.006 0.000 0.210 1027 K C 1.884 178.497 176.600 0.021 0.000 1.049 1027 K CA 2.158 58.481 56.287 0.060 0.000 0.929 1027 K CB -0.364 32.220 32.500 0.140 0.000 0.714 1027 K HN 0.112 nan 8.250 nan 0.000 0.440 1028 T N 0.851 115.413 114.554 0.014 0.000 2.684 1028 T HA -0.166 4.187 4.350 0.006 0.000 0.267 1028 T C 1.940 176.643 174.700 0.005 0.000 1.036 1028 T CA 1.521 63.614 62.100 -0.011 0.000 1.148 1028 T CB -0.437 68.409 68.868 -0.037 0.000 0.863 1028 T HN 0.450 nan 8.240 nan 0.000 0.436 1029 A N 1.246 124.089 122.820 0.038 0.000 1.877 1029 A HA 0.037 4.360 4.320 0.006 0.000 0.216 1029 A C 2.339 179.960 177.584 0.063 0.000 1.186 1029 A CA 1.109 53.185 52.037 0.066 0.000 0.620 1029 A CB -0.945 18.115 19.000 0.100 0.000 0.822 1029 A HN 0.454 nan 8.150 nan 0.000 0.443 1030 L N -0.689 120.556 121.223 0.036 0.000 2.012 1030 L HA -0.284 4.060 4.340 0.006 0.000 0.210 1030 L C 2.842 179.719 176.870 0.012 0.000 1.073 1030 L CA 2.178 57.021 54.840 0.005 0.000 0.748 1030 L CB -0.583 41.449 42.059 -0.045 0.000 0.891 1030 L HN 0.542 nan 8.230 nan 0.000 0.431 1031 Q N -0.625 119.173 119.800 -0.003 0.000 2.077 1031 Q HA -0.311 4.033 4.340 0.006 0.000 0.206 1031 Q C 2.014 178.019 176.000 0.007 0.000 0.989 1031 Q CA 2.179 57.977 55.803 -0.007 0.000 0.853 1031 Q CB -0.066 28.659 28.738 -0.022 0.000 0.907 1031 Q HN 0.384 nan 8.270 nan 0.000 0.418 1032 E N 1.055 121.259 120.200 0.006 0.000 2.051 1032 E HA -0.242 4.112 4.350 0.006 0.000 0.192 1032 E C 1.678 178.342 176.600 0.107 0.000 0.991 1032 E CA 1.731 58.125 56.400 -0.010 0.000 0.799 1032 E CB -0.109 29.551 29.700 -0.067 0.000 0.748 1032 E HN 0.353 nan 8.360 nan 0.000 0.449 1033 E N -0.435 119.877 120.200 0.187 0.000 2.058 1033 E HA -0.191 4.163 4.350 0.006 0.000 0.194 1033 E C 1.981 178.677 176.600 0.160 0.000 0.997 1033 E CA 1.556 58.102 56.400 0.244 0.000 0.801 1033 E CB -0.145 29.635 29.700 0.134 0.000 0.746 1033 E HN 0.284 nan 8.360 nan 0.000 0.450 1034 I N 1.257 121.888 120.570 0.101 0.000 2.226 1034 I HA -0.243 3.931 4.170 0.006 0.000 0.245 1034 I C 2.485 178.656 176.117 0.090 0.000 1.100 1034 I CA 1.413 62.774 61.300 0.102 0.000 1.374 1034 I CB -1.014 37.037 38.000 0.086 0.000 1.057 1034 I HN 0.183 nan 8.210 nan 0.000 0.413 1035 K N 0.636 121.069 120.400 0.055 0.000 2.097 1035 K HA -0.070 4.254 4.320 0.006 0.000 0.205 1035 K C 1.242 177.859 176.600 0.028 0.000 1.050 1035 K CA 1.402 57.695 56.287 0.010 0.000 0.938 1035 K CB 0.202 32.691 32.500 -0.018 0.000 0.718 1035 K HN 0.182 nan 8.250 nan 0.000 0.442 1036 S N -0.426 115.335 115.700 0.102 0.000 2.754 1036 S HA 0.251 4.725 4.470 0.006 0.000 0.247 1036 S C 0.306 175.060 174.600 0.257 0.000 1.031 1036 S CA -0.529 57.765 58.200 0.158 0.000 1.014 1036 S CB 0.816 64.089 63.200 0.122 0.000 0.918 1036 S HN 0.197 nan 8.310 nan 0.000 0.519 1037 K N 0.300 120.810 120.400 0.183 0.000 2.658 1037 K HA 0.208 4.532 4.320 0.006 0.000 0.202 1037 K C -0.430 176.220 176.600 0.084 0.000 1.563 1037 K CA 0.284 56.638 56.287 0.111 0.000 1.129 1037 K CB 0.996 33.527 32.500 0.052 0.000 1.507 1037 K HN 0.048 nan 8.250 nan 0.000 0.581 1038 V N 3.882 123.867 119.914 0.119 0.000 2.372 1038 V HA 0.035 4.159 4.120 0.006 0.000 0.261 1038 V C 0.415 176.653 176.094 0.240 0.000 1.055 1038 V CA 0.159 62.555 62.300 0.160 0.000 0.930 1038 V CB 0.987 32.931 31.823 0.201 0.000 1.031 1038 V HN 0.205 nan 8.190 nan 0.000 0.479 1039 D N 3.238 123.749 120.400 0.185 0.000 2.110 1039 D HA -0.046 4.598 4.640 0.006 0.000 0.202 1039 D C 0.954 177.463 176.300 0.349 0.000 0.975 1039 D CA 1.212 55.322 54.000 0.184 0.000 0.839 1039 D CB 0.422 41.280 40.800 0.097 0.000 0.996 1039 D HN 0.661 nan 8.370 nan 0.000 0.464 1040 Q N 0.309 120.265 119.800 0.260 0.000 2.227 1040 Q HA 0.311 4.654 4.340 0.006 0.000 0.332 1040 Q C -0.077 175.815 176.000 -0.180 0.000 0.878 1040 Q CA -0.184 55.740 55.803 0.202 0.000 1.120 1040 Q CB 1.372 30.169 28.738 0.098 0.000 1.315 1040 Q HN 0.165 nan 8.270 nan 0.000 0.414 1041 I N -0.441 119.901 120.570 -0.381 0.000 8.541 1041 I HA -0.547 3.627 4.170 0.006 0.000 0.126 1041 I C 0.782 176.761 176.117 -0.229 0.000 1.723 1041 I CA 0.782 61.796 61.300 -0.476 0.000 2.209 1041 I CB -0.692 36.864 38.000 -0.740 0.000 3.608 1041 I HN 0.372 nan 8.210 nan 0.000 0.219 1042 Q N -1.355 118.317 119.800 -0.212 0.000 2.097 1042 Q HA -0.304 4.040 4.340 0.006 0.000 0.148 1042 Q C 1.270 177.206 176.000 -0.105 0.000 1.026 1042 Q CA 2.659 58.373 55.803 -0.147 0.000 1.406 1042 Q CB -1.524 27.137 28.738 -0.130 0.000 1.450 1042 Q HN 0.851 nan 8.270 nan 0.000 0.882 1043 E N 0.174 120.322 120.200 -0.088 0.000 2.204 1043 E HA -0.041 4.312 4.350 0.006 0.000 0.194 1043 E C 2.015 178.583 176.600 -0.054 0.000 0.989 1043 E CA 0.988 57.355 56.400 -0.054 0.000 0.824 1043 E CB -0.151 29.533 29.700 -0.027 0.000 0.756 1043 E HN 0.501 nan 8.360 nan 0.000 0.477 1044 I N 0.539 121.067 120.570 -0.070 0.000 2.361 1044 I HA -0.244 3.930 4.170 0.006 0.000 0.251 1044 I C 2.103 178.185 176.117 -0.059 0.000 1.133 1044 I CA 0.795 62.057 61.300 -0.064 0.000 1.413 1044 I CB -0.059 37.891 38.000 -0.083 0.000 1.073 1044 I HN 0.003 nan 8.210 nan 0.000 0.424 1045 V N -0.230 119.640 119.914 -0.074 0.000 2.374 1045 V HA -0.148 3.976 4.120 0.006 0.000 0.241 1045 V C 2.389 178.454 176.094 -0.048 0.000 1.034 1045 V CA 2.065 64.323 62.300 -0.069 0.000 1.037 1045 V CB -0.750 31.003 31.823 -0.116 0.000 0.682 1045 V HN 0.375 nan 8.190 nan 0.000 0.463 1046 T N 0.269 114.788 114.554 -0.058 0.000 2.770 1046 T HA 0.062 4.415 4.350 0.006 0.000 0.263 1046 T C 1.212 175.897 174.700 -0.024 0.000 1.039 1046 T CA 1.255 63.329 62.100 -0.042 0.000 1.142 1046 T CB -0.437 68.402 68.868 -0.049 0.000 0.868 1046 T HN 0.593 nan 8.240 nan 0.000 0.435 1047 G N 1.169 109.952 108.800 -0.028 0.000 2.514 1047 G HA2 0.222 4.186 3.960 0.006 0.000 0.245 1047 G HA3 0.222 4.186 3.960 0.006 0.000 0.245 1047 G C -0.051 174.839 174.900 -0.017 0.000 1.488 1047 G CA -0.535 44.552 45.100 -0.022 0.000 1.063 1047 G HN 0.285 nan 8.290 nan 0.000 0.557 1048 N N 1.577 120.263 118.700 -0.022 0.000 2.886 1048 N HA 0.258 5.002 4.740 0.006 0.000 0.285 1048 N C -2.716 172.774 175.510 -0.034 0.000 1.706 1048 N CA -0.844 52.193 53.050 -0.021 0.000 0.904 1048 N CB 1.738 40.214 38.487 -0.018 0.000 1.224 1048 N HN 0.229 nan 8.380 nan 0.000 0.488 1049 P HA 0.010 nan 4.420 nan 0.000 0.259 1049 P C 0.872 178.142 177.300 -0.048 0.000 1.211 1049 P CA 0.132 63.206 63.100 -0.043 0.000 0.810 1049 P CB 0.635 32.311 31.700 -0.041 0.000 0.815 1050 T N 2.585 117.106 114.554 -0.055 0.000 2.624 1050 T HA -0.154 4.200 4.350 0.006 0.000 0.268 1050 T C 1.823 176.489 174.700 -0.057 0.000 1.041 1050 T CA 1.711 63.779 62.100 -0.053 0.000 1.159 1050 T CB -0.556 68.275 68.868 -0.061 0.000 0.863 1050 T HN 0.145 nan 8.240 nan 0.000 0.434 1051 V N 1.514 121.394 119.914 -0.057 0.000 2.358 1051 V HA -0.120 4.004 4.120 0.006 0.000 0.246 1051 V C 2.546 178.545 176.094 -0.159 0.000 1.047 1051 V CA 1.100 63.345 62.300 -0.092 0.000 1.035 1051 V CB -0.646 31.144 31.823 -0.055 0.000 0.658 1051 V HN 0.413 nan 8.190 nan 0.000 0.452 1052 I N 0.681 121.180 120.570 -0.118 0.000 2.163 1052 I HA -0.160 4.014 4.170 0.006 0.000 0.243 1052 I C 1.653 177.702 176.117 -0.113 0.000 1.085 1052 I CA 1.405 62.630 61.300 -0.126 0.000 1.347 1052 I CB -1.086 36.863 38.000 -0.085 0.000 1.044 1052 I HN 0.524 nan 8.210 nan 0.000 0.408 1056 V N 0.560 120.443 119.914 -0.052 0.000 2.295 1056 V HA -0.250 3.873 4.120 0.006 0.000 0.246 1056 V C 2.651 178.827 176.094 0.137 0.000 1.049 1056 V CA 2.980 65.301 62.300 0.034 0.000 1.024 1056 V CB -0.361 31.484 31.823 0.038 0.000 0.648 1056 V HN 0.622 nan 8.190 nan 0.000 0.447 1057 S N -0.492 115.313 115.700 0.175 0.000 2.370 1057 S HA -0.250 4.224 4.470 0.006 0.000 0.226 1057 S C 1.946 176.745 174.600 0.332 0.000 1.033 1057 S CA 1.986 60.343 58.200 0.261 0.000 1.011 1057 S CB -0.506 62.867 63.200 0.288 0.000 0.852 1057 S HN 0.571 nan 8.310 nan 0.000 0.457 1058 F N 2.859 122.943 119.950 0.223 0.000 2.216 1058 F HA 0.070 4.601 4.527 0.005 0.000 0.300 1058 F C 1.801 177.620 175.800 0.031 0.000 1.085 1058 F CA 1.388 59.383 58.000 -0.008 0.000 1.326 1058 F CB -0.471 38.421 39.000 -0.180 0.000 1.027 1058 F HN 0.264 nan 8.300 nan 0.000 0.497 1059 N N 0.628 119.334 118.700 0.010 0.000 2.485 1059 N HA -0.028 4.715 4.740 0.006 0.000 0.199 1059 N C 0.793 176.352 175.510 0.083 0.000 1.236 1059 N CA 0.138 53.172 53.050 -0.027 0.000 0.852 1059 N CB -0.021 38.459 38.487 -0.012 0.000 1.018 1059 N HN 0.264 nan 8.380 nan 0.000 0.457 1060 R N -0.096 120.435 120.500 0.052 0.000 2.362 1060 R HA 0.191 4.535 4.340 0.006 0.000 0.227 1060 R C 1.071 177.380 176.300 0.015 0.000 0.905 1060 R CA -0.187 55.981 56.100 0.113 0.000 1.067 1060 R CB -0.004 30.389 30.300 0.154 0.000 1.078 1060 R HN 0.066 nan 8.270 nan 0.000 0.516 1061 G N -0.581 108.149 108.800 -0.116 0.000 2.543 1061 G HA2 0.384 4.348 3.960 0.006 0.000 0.290 1061 G HA3 0.384 4.348 3.960 0.006 0.000 0.290 1061 G C 1.046 175.888 174.900 -0.097 0.000 1.310 1061 G CA 0.067 45.079 45.100 -0.147 0.000 1.025 1061 G HN 0.086 nan 8.290 nan 0.000 0.502 1062 A N -0.043 122.729 122.820 -0.080 0.000 1.882 1062 A HA -0.258 4.065 4.320 0.006 0.000 0.220 1062 A C 2.420 179.996 177.584 -0.014 0.000 1.253 1062 A CA 2.896 54.912 52.037 -0.034 0.000 0.664 1062 A CB -0.775 18.210 19.000 -0.025 0.000 0.838 1062 A HN 0.654 nan 8.150 nan 0.000 0.460 1063 R N -0.575 119.908 120.500 -0.028 0.000 2.113 1063 R HA -0.093 4.251 4.340 0.006 0.000 0.231 1063 R C 2.322 178.652 176.300 0.050 0.000 1.129 1063 R CA 2.525 58.635 56.100 0.017 0.000 0.915 1063 R CB -1.512 28.804 30.300 0.027 0.000 0.837 1063 R HN 0.428 nan 8.270 nan 0.000 0.430 1064 G N -0.147 108.673 108.800 0.032 0.000 2.469 1064 G HA2 -0.382 3.582 3.960 0.006 0.000 0.219 1064 G HA3 -0.382 3.582 3.960 0.006 0.000 0.219 1064 G C 1.430 176.443 174.900 0.189 0.000 1.150 1064 G CA 0.970 46.160 45.100 0.150 0.000 0.763 1064 G HN 0.558 nan 8.290 nan 0.000 0.561 1065 Q N 0.233 120.097 119.800 0.107 0.000 2.050 1065 Q HA -0.186 4.158 4.340 0.006 0.000 0.202 1065 Q C 2.447 178.492 176.000 0.074 0.000 0.980 1065 Q CA 1.782 57.640 55.803 0.090 0.000 0.840 1065 Q CB -0.286 28.487 28.738 0.058 0.000 0.898 1065 Q HN 0.572 nan 8.270 nan 0.000 0.424 1066 N N -0.091 118.647 118.700 0.064 0.000 2.104 1066 N HA -0.188 4.556 4.740 0.006 0.000 0.190 1066 N C 1.563 177.116 175.510 0.072 0.000 1.024 1066 N CA 1.909 54.993 53.050 0.056 0.000 0.853 1066 N CB -0.323 38.193 38.487 0.048 0.000 1.008 1066 N HN 0.329 nan 8.380 nan 0.000 0.424 1067 A N 0.727 123.611 122.820 0.107 0.000 1.877 1067 A HA -0.066 4.258 4.320 0.006 0.000 0.216 1067 A C 2.383 180.038 177.584 0.118 0.000 1.186 1067 A CA 1.163 53.282 52.037 0.137 0.000 0.620 1067 A CB -0.971 18.155 19.000 0.209 0.000 0.822 1067 A HN 0.398 nan 8.150 nan 0.000 0.443 1068 L N -0.285 120.993 121.223 0.092 0.000 2.042 1068 L HA -0.269 4.075 4.340 0.006 0.000 0.210 1068 L C 2.972 179.840 176.870 -0.003 0.000 1.076 1068 L CA 2.118 56.944 54.840 -0.023 0.000 0.749 1068 L CB -0.531 41.437 42.059 -0.150 0.000 0.893 1068 L HN 0.639 nan 8.230 nan 0.000 0.432 1069 R N -0.172 120.340 120.500 0.020 0.000 2.081 1069 R HA -0.197 4.147 4.340 0.006 0.000 0.235 1069 R C 2.006 178.313 176.300 0.013 0.000 1.131 1069 R CA 1.325 57.435 56.100 0.016 0.000 0.960 1069 R CB -0.621 29.693 30.300 0.024 0.000 0.856 1069 R HN 0.394 nan 8.270 nan 0.000 0.436 1070 Q N 0.633 120.450 119.800 0.028 0.000 2.124 1070 Q HA -0.083 4.260 4.340 0.006 0.000 0.202 1070 Q C 2.165 178.175 176.000 0.017 0.000 0.977 1070 Q CA 1.694 57.512 55.803 0.025 0.000 0.850 1070 Q CB -0.128 28.636 28.738 0.043 0.000 0.901 1070 Q HN 0.483 nan 8.270 nan 0.000 0.429 1071 I N -0.262 120.325 120.570 0.028 0.000 2.277 1071 I HA -0.218 3.956 4.170 0.006 0.000 0.243 1071 I C 1.883 177.982 176.117 -0.030 0.000 1.094 1071 I CA 1.007 62.321 61.300 0.023 0.000 1.393 1071 I CB 0.049 38.092 38.000 0.071 0.000 1.078 1071 I HN 0.137 nan 8.210 nan 0.000 0.417 1072 L N -0.233 120.968 121.223 -0.036 0.000 2.425 1072 L HA 0.212 4.555 4.340 0.006 0.000 0.215 1072 L C 2.728 179.540 176.870 -0.097 0.000 1.065 1072 L CA 0.507 55.301 54.840 -0.077 0.000 0.842 1072 L CB -0.572 41.476 42.059 -0.018 0.000 1.033 1072 L HN 0.105 nan 8.230 nan 0.000 0.474 1073 A N 1.485 124.276 122.820 -0.049 0.000 1.896 1073 A HA -0.196 4.127 4.320 0.006 0.000 0.220 1073 A C -0.063 177.482 177.584 -0.065 0.000 1.206 1073 A CA 2.210 54.225 52.037 -0.036 0.000 0.647 1073 A CB -1.912 17.080 19.000 -0.014 0.000 0.828 1073 A HN 0.239 nan 8.150 nan 0.000 0.455 1074 P HA -0.177 nan 4.420 nan 0.000 0.214 1074 P C 1.806 179.021 177.300 -0.142 0.000 1.163 1074 P CA 2.508 65.552 63.100 -0.094 0.000 0.889 1074 P CB -0.350 31.296 31.700 -0.091 0.000 0.790 1075 V N -3.498 116.250 119.914 -0.276 0.000 2.453 1075 V HA -0.137 3.987 4.120 0.006 0.000 0.247 1075 V C 2.151 178.077 176.094 -0.280 0.000 1.048 1075 V CA 1.598 63.629 62.300 -0.449 0.000 1.049 1075 V CB -1.738 29.431 31.823 -1.091 0.000 0.672 1075 V HN -0.070 nan 8.190 nan 0.000 0.457 1076 V N 0.500 120.315 119.914 -0.166 0.000 2.343 1076 V HA -0.221 3.903 4.120 0.006 0.000 0.247 1076 V C 2.793 178.931 176.094 0.074 0.000 1.051 1076 V CA 2.475 64.834 62.300 0.098 0.000 1.036 1076 V CB -0.808 31.077 31.823 0.103 0.000 0.654 1076 V HN 0.547 nan 8.190 nan 0.000 0.451 1077 K N -0.281 120.128 120.400 0.014 0.000 2.057 1077 K HA -0.217 4.107 4.320 0.006 0.000 0.207 1077 K C 2.218 178.833 176.600 0.026 0.000 1.049 1077 K CA 1.684 57.982 56.287 0.018 0.000 0.931 1077 K CB -0.215 32.284 32.500 -0.001 0.000 0.714 1077 K HN 0.496 nan 8.250 nan 0.000 0.440 1078 E N 0.512 120.719 120.200 0.012 0.000 2.049 1078 E HA -0.184 4.170 4.350 0.006 0.000 0.198 1078 E C 0.942 177.579 176.600 0.061 0.000 1.007 1078 E CA 0.741 57.156 56.400 0.025 0.000 0.809 1078 E CB 0.073 29.779 29.700 0.010 0.000 0.749 1078 E HN 0.087 nan 8.360 nan 0.000 0.450 1082 D N 2.655 123.072 120.400 0.028 0.000 2.433 1082 D HA -0.062 4.582 4.640 0.006 0.000 0.274 1082 D C 1.119 177.431 176.300 0.021 0.000 1.344 1082 D CA 0.454 54.468 54.000 0.024 0.000 0.989 1082 D CB 0.641 41.458 40.800 0.029 0.000 1.116 1082 D HN 0.010 nan 8.370 nan 0.000 0.533 1083 K N 1.247 121.656 120.400 0.016 0.000 2.103 1083 K HA -0.071 4.253 4.320 0.006 0.000 0.204 1083 K C 1.251 177.858 176.600 0.012 0.000 1.052 1083 K CA 0.493 56.788 56.287 0.014 0.000 0.945 1083 K CB -0.253 32.254 32.500 0.011 0.000 0.722 1083 K HN 0.383 nan 8.250 nan 0.000 0.443 1084 S N 1.664 117.370 115.700 0.010 0.000 3.266 1084 S HA 0.230 4.704 4.470 0.006 0.000 0.209 1084 S C -0.057 174.548 174.600 0.007 0.000 1.409 1084 S CA -0.745 57.460 58.200 0.008 0.000 1.179 1084 S CB -0.549 62.654 63.200 0.006 0.000 1.218 1084 S HN 0.066 nan 8.310 nan 0.000 0.514 1085 L N 2.579 123.807 121.223 0.009 0.000 2.265 1085 L HA 0.574 4.918 4.340 0.006 0.000 0.289 1085 L C -0.653 176.218 176.870 0.001 0.000 1.033 1085 L CA -0.232 54.612 54.840 0.007 0.000 0.814 1085 L CB 0.961 43.029 42.059 0.015 0.000 1.203 1085 L HN 0.448 nan 8.230 nan 0.000 0.423 1086 N N 6.186 124.883 118.700 -0.005 0.000 2.564 1086 N HA 0.314 5.057 4.740 0.006 0.000 0.248 1086 N C -0.145 175.352 175.510 -0.021 0.000 0.986 1086 N CA -0.268 52.776 53.050 -0.010 0.000 0.921 1086 N CB 0.928 39.409 38.487 -0.009 0.000 1.136 1086 N HN 0.774 nan 8.380 nan 0.000 0.509 1087 I N -0.100 120.455 120.570 -0.025 0.000 3.817 1087 I HA 0.371 4.545 4.170 0.006 0.000 0.325 1087 I C 0.254 176.346 176.117 -0.043 0.000 1.550 1087 I CA -0.651 60.625 61.300 -0.040 0.000 1.100 1087 I CB 0.138 38.111 38.000 -0.045 0.000 1.216 1087 I HN 0.049 nan 8.210 nan 0.000 0.481 1088 K N 1.624 122.005 120.400 -0.030 0.000 2.416 1088 K HA 0.093 4.417 4.320 0.006 0.000 0.283 1088 K C 0.693 177.271 176.600 -0.037 0.000 1.037 1088 K CA 0.356 56.627 56.287 -0.027 0.000 0.995 1088 K CB 0.815 33.308 32.500 -0.011 0.000 0.938 1088 K HN 0.200 nan 8.250 nan 0.000 0.475 1089 T N 2.272 116.798 114.554 -0.047 0.000 3.084 1089 T HA 0.025 4.379 4.350 0.006 0.000 0.270 1089 T C -0.705 173.986 174.700 -0.016 0.000 1.008 1089 T CA -0.284 61.788 62.100 -0.047 0.000 0.900 1089 T CB 0.121 68.927 68.868 -0.103 0.000 1.084 1089 T HN 0.544 nan 8.240 nan 0.000 0.538 1090 D N 2.539 122.926 120.400 -0.021 0.000 2.359 1090 D HA 0.237 4.880 4.640 0.006 0.000 0.230 1090 D C -1.291 174.977 176.300 -0.053 0.000 1.118 1090 D CA -2.176 51.813 54.000 -0.018 0.000 0.844 1090 D CB 2.193 42.994 40.800 0.002 0.000 1.059 1090 D HN 0.115 nan 8.370 nan 0.000 0.493 1091 P HA -0.195 nan 4.420 nan 0.000 0.217 1091 P C 1.558 178.853 177.300 -0.009 0.000 1.151 1091 P CA 0.750 63.766 63.100 -0.141 0.000 0.849 1091 P CB 0.454 31.969 31.700 -0.308 0.000 0.787 1092 V N 1.232 121.143 119.914 -0.005 0.000 2.358 1092 V HA -0.195 3.929 4.120 0.006 0.000 0.246 1092 V C 2.416 178.602 176.094 0.154 0.000 1.047 1092 V CA 2.213 64.556 62.300 0.071 0.000 1.035 1092 V CB -1.308 30.536 31.823 0.035 0.000 0.658 1092 V HN 0.070 nan 8.190 nan 0.000 0.452 1093 D N 0.201 120.655 120.400 0.091 0.000 2.097 1093 D HA -0.128 4.516 4.640 0.006 0.000 0.195 1093 D C 2.144 178.508 176.300 0.106 0.000 0.989 1093 D CA 1.468 55.522 54.000 0.089 0.000 0.827 1093 D CB -0.137 40.692 40.800 0.047 0.000 0.966 1093 D HN 0.390 nan 8.370 nan 0.000 0.456 1094 I N 0.332 120.955 120.570 0.089 0.000 2.208 1094 I HA -0.306 3.867 4.170 0.006 0.000 0.245 1094 I C 2.451 178.667 176.117 0.166 0.000 1.097 1094 I CA 0.957 62.307 61.300 0.084 0.000 1.363 1094 I CB -0.339 37.678 38.000 0.028 0.000 1.051 1094 I HN 0.018 nan 8.210 nan 0.000 0.413 1095 Y N 2.194 122.549 120.300 0.092 0.000 2.070 1095 Y HA -0.294 4.260 4.550 0.006 0.000 0.280 1095 Y C 2.545 178.580 175.900 0.225 0.000 1.148 1095 Y CA 1.731 59.950 58.100 0.198 0.000 1.125 1095 Y CB -0.294 38.256 38.460 0.149 0.000 0.975 1095 Y HN -0.057 nan 8.280 nan 0.000 0.492 1096 K N -0.162 120.351 120.400 0.189 0.000 2.044 1096 K HA -0.192 4.132 4.320 0.006 0.000 0.210 1096 K C 2.245 178.843 176.600 -0.002 0.000 1.049 1096 K CA 1.944 58.269 56.287 0.062 0.000 0.927 1096 K CB -0.395 32.189 32.500 0.141 0.000 0.713 1096 K HN 0.256 nan 8.250 nan 0.000 0.443 1097 S N 0.357 116.088 115.700 0.052 0.000 2.383 1097 S HA -0.187 4.286 4.470 0.006 0.000 0.229 1097 S C 1.396 176.029 174.600 0.055 0.000 1.030 1097 S CA 1.292 59.518 58.200 0.043 0.000 1.002 1097 S CB -0.322 62.913 63.200 0.058 0.000 0.829 1097 S HN 0.439 nan 8.310 nan 0.000 0.467 1098 W N 2.628 123.840 121.300 -0.145 0.000 2.353 1098 W HA -0.151 4.513 4.660 0.006 0.000 0.319 1098 W C 2.021 178.409 176.519 -0.217 0.000 1.207 1098 W CA 0.946 58.184 57.345 -0.178 0.000 1.291 1098 W CB -1.067 28.264 29.460 -0.215 0.000 1.159 1098 W HN 0.023 nan 8.180 nan 0.000 0.478 1099 V N 2.167 121.754 119.914 -0.545 0.000 2.282 1099 V HA -0.419 3.705 4.120 0.006 0.000 0.249 1099 V C 2.327 178.217 176.094 -0.339 0.000 1.057 1099 V CA 2.467 64.367 62.300 -0.666 0.000 1.032 1099 V CB -1.164 30.312 31.823 -0.578 0.000 0.645 1099 V HN 0.276 nan 8.190 nan 0.000 0.447 1100 N N -0.498 118.098 118.700 -0.173 0.000 2.188 1100 N HA -0.087 4.656 4.740 0.006 0.000 0.184 1100 N C 1.238 176.688 175.510 -0.099 0.000 1.018 1100 N CA 0.643 53.637 53.050 -0.092 0.000 0.858 1100 N CB -0.216 38.239 38.487 -0.052 0.000 0.989 1100 N HN 0.627 nan 8.380 nan 0.000 0.426 1104 S N 0.351 116.015 115.700 -0.060 0.000 2.428 1104 S HA -0.109 4.364 4.470 0.006 0.000 0.230 1104 S C 1.856 176.432 174.600 -0.039 0.000 1.014 1104 S CA 1.365 59.539 58.200 -0.042 0.000 0.957 1104 S CB 0.146 63.325 63.200 -0.036 0.000 0.784 1104 S HN 0.128 nan 8.310 nan 0.000 0.499 1105 Q N 1.165 120.937 119.800 -0.047 0.000 2.020 1105 Q HA 0.052 4.395 4.340 0.006 0.000 0.198 1105 Q C 2.266 178.244 176.000 -0.037 0.000 0.974 1105 Q CA 2.312 58.093 55.803 -0.037 0.000 0.829 1105 Q CB -0.847 27.869 28.738 -0.037 0.000 0.894 1105 Q HN 0.636 nan 8.270 nan 0.000 0.433 1106 T N -1.753 112.771 114.554 -0.050 0.000 2.698 1106 T HA 0.111 4.465 4.350 0.006 0.000 0.260 1106 T C 1.156 175.834 174.700 -0.038 0.000 1.044 1106 T CA 1.394 63.466 62.100 -0.046 0.000 1.149 1106 T CB -0.343 68.488 68.868 -0.063 0.000 0.864 1106 T HN 0.539 nan 8.240 nan 0.000 0.419 1107 G N 1.017 109.793 108.800 -0.041 0.000 2.168 1107 G HA2 -0.133 3.830 3.960 0.006 0.000 0.197 1107 G HA3 -0.133 3.830 3.960 0.006 0.000 0.197 1107 G C -0.226 174.656 174.900 -0.030 0.000 0.997 1107 G CA -0.264 44.817 45.100 -0.031 0.000 0.658 1107 G HN 0.514 nan 8.290 nan 0.000 0.513 1108 E N -0.140 120.037 120.200 -0.039 0.000 2.256 1108 E HA 0.658 5.012 4.350 0.006 0.000 0.267 1108 E C 0.249 176.822 176.600 -0.044 0.000 0.892 1108 E CA -0.479 55.899 56.400 -0.037 0.000 0.775 1108 E CB 1.946 31.622 29.700 -0.040 0.000 1.207 1108 E HN 0.631 nan 8.360 nan 0.000 0.420 1109 A N 1.984 124.787 122.820 -0.028 0.000 2.492 1109 A HA 0.202 4.526 4.320 0.006 0.000 0.254 1109 A C 0.451 177.983 177.584 -0.087 0.000 1.091 1109 A CA -0.239 51.786 52.037 -0.021 0.000 0.768 1109 A CB -0.171 18.840 19.000 0.018 0.000 1.028 1109 A HN 0.596 nan 8.150 nan 0.000 0.498 1110 S N 2.148 117.761 115.700 -0.144 0.000 2.573 1110 S HA 0.084 4.558 4.470 0.006 0.000 0.277 1110 S C 0.765 175.230 174.600 -0.224 0.000 1.346 1110 S CA 0.236 58.304 58.200 -0.220 0.000 1.034 1110 S CB 0.751 63.753 63.200 -0.330 0.000 0.879 1110 S HN 0.763 nan 8.310 nan 0.000 0.528 1111 K N 1.098 121.391 120.400 -0.178 0.000 2.444 1111 K HA 0.241 4.565 4.320 0.006 0.000 0.193 1111 K C -0.037 176.477 176.600 -0.143 0.000 1.024 1111 K CA -0.006 56.199 56.287 -0.136 0.000 1.077 1111 K CB -0.211 32.241 32.500 -0.080 0.000 0.833 1111 K HN 0.669 nan 8.250 nan 0.000 0.517 1112 L N 3.257 124.363 121.223 -0.194 0.000 2.350 1112 L HA 0.278 4.621 4.340 0.006 0.000 0.275 1112 L C -1.956 174.788 176.870 -0.210 0.000 1.099 1112 L CA -2.203 52.563 54.840 -0.123 0.000 0.808 1112 L CB 0.718 42.700 42.059 -0.128 0.000 1.149 1112 L HN 0.077 nan 8.230 nan 0.000 0.442 1113 P HA 0.005 nan 4.420 nan 0.000 0.271 1113 P C -0.224 177.083 177.300 0.012 0.000 1.216 1113 P CA -0.017 63.026 63.100 -0.095 0.000 0.776 1113 P CB 0.536 32.245 31.700 0.014 0.000 0.881 1114 Y N -0.398 119.975 120.300 0.121 0.000 2.314 1114 Y HA -0.052 4.501 4.550 0.006 0.000 0.293 1114 Y C 1.421 177.436 175.900 0.191 0.000 1.129 1114 Y CA 0.567 58.750 58.100 0.139 0.000 1.201 1114 Y CB 0.046 38.538 38.460 0.054 0.000 0.999 1114 Y HN 0.292 nan 8.280 nan 0.000 0.541 1115 D N 0.487 121.045 120.400 0.264 0.000 2.274 1115 D HA 0.383 5.027 4.640 0.006 0.000 0.239 1115 D C -1.115 175.229 176.300 0.073 0.000 1.104 1115 D CA 0.042 54.135 54.000 0.156 0.000 0.840 1115 D CB 1.488 42.355 40.800 0.112 0.000 1.100 1115 D HN -0.132 nan 8.370 nan 0.000 0.477 1116 V N 2.687 122.599 119.914 -0.003 0.000 3.087 1116 V HA 0.503 4.626 4.120 0.006 0.000 0.306 1116 V C -0.168 175.852 176.094 -0.124 0.000 1.187 1116 V CA -0.560 61.655 62.300 -0.141 0.000 0.999 1116 V CB 2.332 33.862 31.823 -0.489 0.000 1.049 1116 V HN 0.767 nan 8.190 nan 0.000 0.431 1117 T N 2.713 117.200 114.554 -0.113 0.000 2.849 1117 T HA 0.428 4.782 4.350 0.006 0.000 0.284 1117 T C -2.031 172.606 174.700 -0.104 0.000 1.004 1117 T CA -1.319 60.734 62.100 -0.078 0.000 1.021 1117 T CB 1.364 70.201 68.868 -0.052 0.000 1.013 1117 T HN 0.485 nan 8.240 nan 0.000 0.527 1118 P HA -0.153 nan 4.420 nan 0.000 0.215 1118 P C 1.573 178.811 177.300 -0.103 0.000 1.157 1118 P CA 1.479 64.522 63.100 -0.094 0.000 0.868 1118 P CB -0.014 31.651 31.700 -0.059 0.000 0.788 1119 E N 0.802 120.960 120.200 -0.070 0.000 2.077 1119 E HA -0.264 4.089 4.350 0.006 0.000 0.193 1119 E C 1.996 178.547 176.600 -0.082 0.000 0.989 1119 E CA 1.041 57.404 56.400 -0.063 0.000 0.800 1119 E CB -1.134 28.543 29.700 -0.038 0.000 0.746 1119 E HN 0.410 nan 8.360 nan 0.000 0.452 1120 Q N 0.632 120.375 119.800 -0.095 0.000 2.378 1120 Q HA 0.107 4.450 4.340 0.006 0.000 0.205 1120 Q C 2.123 178.045 176.000 -0.130 0.000 0.954 1120 Q CA 0.921 56.656 55.803 -0.112 0.000 0.901 1120 Q CB 0.008 28.683 28.738 -0.104 0.000 0.981 1120 Q HN 0.315 nan 8.270 nan 0.000 0.483 1121 A N 1.644 124.368 122.820 -0.160 0.000 1.898 1121 A HA 0.028 4.352 4.320 0.006 0.000 0.214 1121 A C 2.035 179.631 177.584 0.020 0.000 1.183 1121 A CA 0.577 52.524 52.037 -0.150 0.000 0.622 1121 A CB -0.475 18.413 19.000 -0.187 0.000 0.824 1121 A HN 0.356 nan 8.150 nan 0.000 0.444 1122 L N -0.306 120.881 121.223 -0.060 0.000 2.551 1122 L HA -0.082 4.261 4.340 0.006 0.000 0.228 1122 L C 2.727 179.556 176.870 -0.068 0.000 1.153 1122 L CA 0.425 55.225 54.840 -0.066 0.000 0.851 1122 L CB -0.245 41.756 42.059 -0.097 0.000 0.959 1122 L HN 0.453 nan 8.230 nan 0.000 0.451 1123 A N -1.401 121.361 122.820 -0.098 0.000 2.015 1123 A HA -0.115 4.209 4.320 0.006 0.000 0.219 1123 A C 0.905 178.348 177.584 -0.234 0.000 1.163 1123 A CA 0.743 52.670 52.037 -0.183 0.000 0.646 1123 A CB -0.468 18.376 19.000 -0.260 0.000 0.806 1123 A HN 0.335 nan 8.150 nan 0.000 0.448 1124 H N 0.283 119.327 119.070 -0.043 0.000 2.690 1124 H HA 0.142 4.701 4.556 0.006 0.000 0.314 1124 H C 0.495 175.710 175.328 -0.188 0.000 1.069 1124 H CA -0.287 55.703 56.048 -0.097 0.000 1.436 1124 H CB 1.011 30.683 29.762 -0.149 0.000 1.462 1124 H HN 0.375 nan 8.280 nan 0.000 0.511 1125 E N 2.533 122.695 120.200 -0.064 0.000 2.118 1125 E HA -0.167 4.186 4.350 0.006 0.000 0.195 1125 E C 1.741 178.233 176.600 -0.180 0.000 0.992 1125 E CA 0.889 57.229 56.400 -0.099 0.000 0.804 1125 E CB 0.180 29.844 29.700 -0.061 0.000 0.741 1125 E HN 0.713 nan 8.360 nan 0.000 0.458 1126 E N 0.956 120.964 120.200 -0.320 0.000 2.106 1126 E HA -0.103 4.251 4.350 0.006 0.000 0.192 1126 E C 2.317 178.627 176.600 -0.483 0.000 0.984 1126 E CA 0.736 56.855 56.400 -0.468 0.000 0.806 1126 E CB -0.695 28.526 29.700 -0.799 0.000 0.750 1126 E HN 0.111 nan 8.360 nan 0.000 0.458 1127 V N 2.025 121.646 119.914 -0.489 0.000 2.270 1127 V HA -0.232 3.892 4.120 0.006 0.000 0.245 1127 V C 2.485 178.480 176.094 -0.166 0.000 1.043 1127 V CA 2.115 64.245 62.300 -0.282 0.000 1.014 1127 V CB -0.518 31.234 31.823 -0.117 0.000 0.645 1127 V HN 0.206 nan 8.190 nan 0.000 0.447 1128 K N -0.304 120.015 120.400 -0.135 0.000 2.152 1128 K HA -0.176 4.148 4.320 0.006 0.000 0.206 1128 K C 2.143 178.689 176.600 -0.090 0.000 1.048 1128 K CA 1.906 58.135 56.287 -0.095 0.000 0.933 1128 K CB -0.395 32.059 32.500 -0.077 0.000 0.721 1128 K HN 0.508 nan 8.250 nan 0.000 0.447 1129 T N 0.687 115.174 114.554 -0.112 0.000 2.770 1129 T HA -0.063 4.290 4.350 0.006 0.000 0.263 1129 T C 1.806 176.455 174.700 -0.086 0.000 1.039 1129 T CA 0.952 62.996 62.100 -0.092 0.000 1.142 1129 T CB -0.058 68.750 68.868 -0.100 0.000 0.868 1129 T HN 0.247 nan 8.240 nan 0.000 0.435 1130 R N 0.417 120.852 120.500 -0.109 0.000 2.096 1130 R HA 0.027 4.371 4.340 0.006 0.000 0.235 1130 R C 2.406 178.667 176.300 -0.065 0.000 1.127 1130 R CA 0.888 56.938 56.100 -0.084 0.000 0.968 1130 R CB -0.622 29.621 30.300 -0.096 0.000 0.861 1130 R HN 0.226 nan 8.270 nan 0.000 0.440 1131 L N 1.628 122.809 121.223 -0.070 0.000 2.017 1131 L HA -0.180 4.163 4.340 0.006 0.000 0.208 1131 L C 1.475 178.320 176.870 -0.043 0.000 1.073 1131 L CA 1.942 56.749 54.840 -0.054 0.000 0.745 1131 L CB -0.449 41.573 42.059 -0.062 0.000 0.894 1131 L HN 0.070 nan 8.230 nan 0.000 0.432 1132 D N -1.087 119.287 120.400 -0.044 0.000 2.123 1132 D HA -0.205 4.439 4.640 0.006 0.000 0.196 1132 D C 2.292 178.568 176.300 -0.041 0.000 0.992 1132 D CA 1.570 55.548 54.000 -0.037 0.000 0.833 1132 D CB -0.137 40.641 40.800 -0.036 0.000 0.954 1132 D HN 0.427 nan 8.370 nan 0.000 0.455 1133 S N -0.138 115.536 115.700 -0.043 0.000 2.355 1133 S HA -0.112 4.362 4.470 0.006 0.000 0.222 1133 S C 2.152 176.727 174.600 -0.043 0.000 1.031 1133 S CA 1.366 59.542 58.200 -0.041 0.000 0.993 1133 S CB -0.055 63.122 63.200 -0.038 0.000 0.859 1133 S HN 0.086 nan 8.310 nan 0.000 0.453 1134 S N 1.580 117.254 115.700 -0.044 0.000 2.382 1134 S HA -0.015 4.459 4.470 0.006 0.000 0.228 1134 S C 1.777 176.342 174.600 -0.058 0.000 1.027 1134 S CA 1.054 59.226 58.200 -0.046 0.000 0.991 1134 S CB -0.353 62.822 63.200 -0.041 0.000 0.823 1134 S HN 0.431 nan 8.310 nan 0.000 0.469 1135 I N 1.877 122.413 120.570 -0.058 0.000 2.179 1135 I HA -0.122 4.052 4.170 0.006 0.000 0.242 1135 I C 2.365 178.425 176.117 -0.095 0.000 1.088 1135 I CA 1.340 62.596 61.300 -0.073 0.000 1.357 1135 I CB -1.063 36.906 38.000 -0.053 0.000 1.051 1135 I HN 0.235 nan 8.210 nan 0.000 0.409 1136 R N 0.947 121.400 120.500 -0.079 0.000 2.096 1136 R HA -0.051 4.293 4.340 0.006 0.000 0.235 1136 R C 0.971 177.212 176.300 -0.099 0.000 1.127 1136 R CA 0.371 56.418 56.100 -0.088 0.000 0.968 1136 R CB -1.136 29.127 30.300 -0.061 0.000 0.861 1136 R HN 0.458 nan 8.270 nan 0.000 0.440 1140 A N 1.045 123.749 122.820 -0.194 0.000 1.877 1140 A HA -0.067 4.257 4.320 0.006 0.000 0.216 1140 A C 1.876 179.446 177.584 -0.023 0.000 1.186 1140 A CA 1.984 53.967 52.037 -0.089 0.000 0.620 1140 A CB -0.671 18.297 19.000 -0.055 0.000 0.822 1140 A HN 0.125 nan 8.150 nan 0.000 0.443 1141 V N -0.170 119.736 119.914 -0.013 0.000 2.287 1141 V HA -0.253 3.871 4.120 0.006 0.000 0.248 1141 V C 2.720 178.893 176.094 0.130 0.000 1.053 1141 V CA 2.540 64.883 62.300 0.071 0.000 1.027 1141 V CB -1.351 30.487 31.823 0.024 0.000 0.646 1141 V HN 0.616 nan 8.190 nan 0.000 0.447 1142 T N -0.876 113.693 114.554 0.025 0.000 2.867 1142 T HA -0.181 4.173 4.350 0.006 0.000 0.268 1142 T C 1.702 176.518 174.700 0.194 0.000 1.057 1142 T CA 1.544 63.695 62.100 0.085 0.000 1.136 1142 T CB -0.349 68.578 68.868 0.097 0.000 0.874 1142 T HN 0.456 nan 8.240 nan 0.000 0.466 1143 D N 0.858 121.347 120.400 0.149 0.000 2.178 1143 D HA -0.004 4.640 4.640 0.006 0.000 0.202 1143 D C 2.138 178.497 176.300 0.099 0.000 0.974 1143 D CA 0.905 55.008 54.000 0.171 0.000 0.841 1143 D CB 0.021 40.894 40.800 0.121 0.000 0.953 1143 D HN 0.277 nan 8.370 nan 0.000 0.478 1144 K N -1.011 119.463 120.400 0.122 0.000 2.057 1144 K HA -0.085 4.239 4.320 0.006 0.000 0.206 1144 K C 1.986 178.610 176.600 0.041 0.000 1.050 1144 K CA 0.738 57.065 56.287 0.068 0.000 0.935 1144 K CB -0.129 32.414 32.500 0.071 0.000 0.715 1144 K HN 0.129 nan 8.250 nan 0.000 0.439 1145 F N 0.865 120.802 119.950 -0.022 0.000 2.113 1145 F HA -0.173 4.357 4.527 0.006 0.000 0.297 1145 F C 2.132 177.876 175.800 -0.093 0.000 1.103 1145 F CA 0.764 58.751 58.000 -0.022 0.000 1.248 1145 F CB -0.583 38.431 39.000 0.023 0.000 0.999 1145 F HN -0.030 nan 8.300 nan 0.000 0.475 1146 L N -0.265 120.984 121.223 0.044 0.000 1.989 1146 L HA -0.238 4.106 4.340 0.006 0.000 0.211 1146 L C 2.407 179.106 176.870 -0.284 0.000 1.071 1146 L CA 1.996 56.679 54.840 -0.261 0.000 0.749 1146 L CB -1.229 40.649 42.059 -0.302 0.000 0.890 1146 L HN 0.013 nan 8.230 nan 0.000 0.431 1147 S N -0.029 115.574 115.700 -0.162 0.000 2.359 1147 S HA -0.197 4.277 4.470 0.006 0.000 0.224 1147 S C 2.101 176.617 174.600 -0.139 0.000 1.035 1147 S CA 1.245 59.357 58.200 -0.146 0.000 1.018 1147 S CB -0.835 62.315 63.200 -0.083 0.000 0.876 1147 S HN 0.694 nan 8.310 nan 0.000 0.448 1148 A N 1.127 123.872 122.820 -0.124 0.000 1.978 1148 A HA -0.079 4.245 4.320 0.006 0.000 0.220 1148 A C 2.064 179.586 177.584 -0.102 0.000 1.170 1148 A CA 1.286 53.254 52.037 -0.115 0.000 0.636 1148 A CB -0.666 18.234 19.000 -0.166 0.000 0.810 1148 A HN 0.516 nan 8.150 nan 0.000 0.448 1149 I N -0.994 119.485 120.570 -0.152 0.000 2.277 1149 I HA -0.131 4.043 4.170 0.006 0.000 0.243 1149 I C 2.241 178.104 176.117 -0.423 0.000 1.094 1149 I CA 0.741 61.920 61.300 -0.201 0.000 1.393 1149 I CB -0.274 37.612 38.000 -0.191 0.000 1.078 1149 I HN 0.118 nan 8.210 nan 0.000 0.417 1150 V N 0.879 120.481 119.914 -0.520 0.000 2.490 1150 V HA -0.213 3.910 4.120 0.006 0.000 0.250 1150 V C 2.169 178.244 176.094 -0.032 0.000 1.061 1150 V CA 2.144 64.187 62.300 -0.429 0.000 1.064 1150 V CB -0.633 30.972 31.823 -0.363 0.000 0.670 1150 V HN 0.580 nan 8.190 nan 0.000 0.461 1151 S N -1.800 113.877 115.700 -0.040 0.000 2.634 1151 S HA 0.139 4.613 4.470 0.006 0.000 0.221 1151 S C 0.978 175.622 174.600 0.073 0.000 0.952 1151 S CA 0.251 58.468 58.200 0.028 0.000 0.930 1151 S CB 0.346 63.540 63.200 -0.010 0.000 0.780 1151 S HN 0.382 nan 8.310 nan 0.000 0.498 1152 S N 0.782 116.559 115.700 0.128 0.000 2.843 1152 S HA 0.234 4.708 4.470 0.006 0.000 0.249 1152 S C 1.186 175.942 174.600 0.260 0.000 1.047 1152 S CA -0.264 58.029 58.200 0.155 0.000 1.042 1152 S CB 0.603 63.870 63.200 0.111 0.000 0.936 1152 S HN 0.359 nan 8.310 nan 0.000 0.531 1153 V N 1.731 121.851 119.914 0.343 0.000 2.380 1153 V HA -0.217 3.906 4.120 0.006 0.000 0.251 1153 V C 1.885 178.090 176.094 0.186 0.000 1.063 1153 V CA 1.811 64.305 62.300 0.324 0.000 1.055 1153 V CB -0.452 31.489 31.823 0.197 0.000 0.657 1153 V HN 0.479 nan 8.190 nan 0.000 0.455 1154 D N 0.018 120.507 120.400 0.149 0.000 2.348 1154 D HA -0.084 4.560 4.640 0.006 0.000 0.216 1154 D C 2.020 178.393 176.300 0.120 0.000 0.970 1154 D CA 0.776 54.845 54.000 0.115 0.000 0.889 1154 D CB -0.038 40.814 40.800 0.086 0.000 0.912 1154 D HN 0.513 nan 8.370 nan 0.000 0.524 1155 K N 0.140 120.626 120.400 0.143 0.000 2.361 1155 K HA 0.128 4.451 4.320 0.006 0.000 0.196 1155 K C 0.857 177.560 176.600 0.173 0.000 1.039 1155 K CA 0.025 56.395 56.287 0.138 0.000 1.001 1155 K CB 0.701 33.278 32.500 0.129 0.000 0.795 1155 K HN 0.099 nan 8.250 nan 0.000 0.495 1156 I N 3.221 123.913 120.570 0.202 0.000 2.556 1156 I HA 0.032 4.206 4.170 0.006 0.000 0.284 1156 I C -2.195 174.012 176.117 0.150 0.000 1.114 1156 I CA -2.234 59.196 61.300 0.216 0.000 1.418 1156 I CB 0.352 38.479 38.000 0.212 0.000 1.394 1156 I HN -0.194 nan 8.210 nan 0.000 0.552 1157 P HA -0.132 nan 4.420 nan 0.000 0.264 1157 P C 0.223 177.601 177.300 0.131 0.000 1.183 1157 P CA 0.190 63.367 63.100 0.129 0.000 0.763 1157 P CB 0.302 32.062 31.700 0.101 0.000 0.807 1158 Y N 4.653 124.999 120.300 0.078 0.000 2.102 1158 Y HA -0.201 4.352 4.550 0.004 0.000 0.280 1158 Y C 1.606 177.607 175.900 0.167 0.000 1.178 1158 Y CA 2.187 60.343 58.100 0.092 0.000 1.146 1158 Y CB -0.997 37.484 38.460 0.035 0.000 0.968 1158 Y HN 0.458 nan 8.280 nan 0.000 0.504 1162 F N 2.843 122.560 119.950 -0.389 0.000 2.126 1162 F HA -0.090 4.439 4.527 0.004 0.000 0.299 1162 F C 1.889 177.570 175.800 -0.199 0.000 1.096 1162 F CA 1.524 59.292 58.000 -0.387 0.000 1.255 1162 F CB -0.011 38.562 39.000 -0.712 0.000 0.997 1162 F HN -0.073 nan 8.300 nan 0.000 0.479 1163 I N 0.702 121.068 120.570 -0.339 0.000 2.394 1163 I HA -0.213 3.960 4.170 0.006 0.000 0.251 1163 I C 2.690 178.624 176.117 -0.306 0.000 1.136 1163 I CA 1.339 62.417 61.300 -0.371 0.000 1.425 1163 I CB -2.090 35.791 38.000 -0.199 0.000 1.079 1163 I HN 0.268 nan 8.210 nan 0.000 0.425 1164 A N 0.621 123.304 122.820 -0.230 0.000 1.930 1164 A HA -0.234 4.089 4.320 0.006 0.000 0.217 1164 A C 2.454 179.932 177.584 -0.176 0.000 1.175 1164 A CA 1.682 53.614 52.037 -0.176 0.000 0.627 1164 A CB -0.494 18.424 19.000 -0.136 0.000 0.815 1164 A HN 0.371 nan 8.150 nan 0.000 0.443 1165 K N -0.195 120.080 120.400 -0.209 0.000 2.057 1165 K HA -0.102 4.222 4.320 0.006 0.000 0.207 1165 K C 1.802 178.266 176.600 -0.226 0.000 1.049 1165 K CA 1.667 57.847 56.287 -0.178 0.000 0.931 1165 K CB -0.265 32.149 32.500 -0.143 0.000 0.714 1165 K HN 0.226 nan 8.250 nan 0.000 0.440 1166 V N 1.630 121.311 119.914 -0.389 0.000 2.295 1166 V HA -0.251 3.873 4.120 0.006 0.000 0.246 1166 V C 2.317 178.301 176.094 -0.184 0.000 1.049 1166 V CA 1.562 63.659 62.300 -0.337 0.000 1.024 1166 V CB -0.478 31.060 31.823 -0.474 0.000 0.648 1166 V HN 0.357 nan 8.190 nan 0.000 0.447 1167 L N 0.488 121.607 121.223 -0.174 0.000 1.989 1167 L HA -0.217 4.126 4.340 0.006 0.000 0.211 1167 L C 2.471 179.308 176.870 -0.055 0.000 1.071 1167 L CA 2.404 57.182 54.840 -0.104 0.000 0.749 1167 L CB -0.773 41.217 42.059 -0.116 0.000 0.890 1167 L HN 0.277 nan 8.230 nan 0.000 0.431 1168 K N -0.914 119.450 120.400 -0.060 0.000 2.057 1168 K HA -0.202 4.121 4.320 0.006 0.000 0.207 1168 K C 1.784 178.401 176.600 0.029 0.000 1.049 1168 K CA 1.831 58.112 56.287 -0.009 0.000 0.931 1168 K CB -0.171 32.318 32.500 -0.017 0.000 0.714 1168 K HN 0.405 nan 8.250 nan 0.000 0.440 1169 D N -0.067 120.323 120.400 -0.016 0.000 2.117 1169 D HA -0.099 4.545 4.640 0.006 0.000 0.197 1169 D C 1.996 178.319 176.300 0.037 0.000 0.987 1169 D CA 1.116 55.112 54.000 -0.007 0.000 0.829 1169 D CB -0.180 40.591 40.800 -0.048 0.000 0.961 1169 D HN 0.130 nan 8.370 nan 0.000 0.460 1170 S N 0.302 116.013 115.700 0.018 0.000 2.368 1170 S HA -0.033 4.440 4.470 0.006 0.000 0.224 1170 S C 2.213 176.877 174.600 0.107 0.000 1.029 1170 S CA 0.423 58.647 58.200 0.040 0.000 0.988 1170 S CB -0.120 63.089 63.200 0.014 0.000 0.838 1170 S HN 0.222 nan 8.310 nan 0.000 0.462 1171 L N 0.760 122.065 121.223 0.136 0.000 2.046 1171 L HA -0.132 4.212 4.340 0.006 0.000 0.208 1171 L C 2.611 179.657 176.870 0.293 0.000 1.077 1171 L CA 1.415 56.403 54.840 0.246 0.000 0.747 1171 L CB -0.692 41.441 42.059 0.123 0.000 0.896 1171 L HN 0.418 nan 8.230 nan 0.000 0.432 1172 H N 0.384 119.519 119.070 0.109 0.000 2.456 1172 H HA -0.198 4.362 4.556 0.007 0.000 0.296 1172 H C 1.993 177.361 175.328 0.068 0.000 1.079 1172 H CA 1.750 57.851 56.048 0.089 0.000 1.322 1172 H CB 0.319 30.108 29.762 0.044 0.000 1.388 1172 H HN 0.448 nan 8.280 nan 0.000 0.538 1173 E N 0.124 120.460 120.200 0.227 0.000 2.299 1173 E HA -0.074 4.279 4.350 0.006 0.000 0.193 1173 E C 2.156 178.754 176.600 -0.002 0.000 0.998 1173 E CA 0.392 56.865 56.400 0.121 0.000 0.851 1173 E CB 0.239 29.980 29.700 0.068 0.000 0.795 1173 E HN 0.320 nan 8.360 nan 0.000 0.492 1174 K N -0.691 119.678 120.400 -0.052 0.000 2.308 1174 K HA 0.060 4.384 4.320 0.006 0.000 0.197 1174 K C -0.448 175.766 176.600 -0.644 0.000 1.049 1174 K CA 0.217 56.285 56.287 -0.365 0.000 0.991 1174 K CB 0.410 32.610 32.500 -0.500 0.000 0.836 1174 K HN -0.026 nan 8.250 nan 0.000 0.500 1175 F N 0.606 120.527 119.950 -0.048 0.000 2.531 1175 F HA 0.357 4.887 4.527 0.005 0.000 0.333 1175 F C -2.255 173.452 175.800 -0.156 0.000 1.292 1175 F CA -2.354 55.599 58.000 -0.079 0.000 1.184 1175 F CB 1.675 40.633 39.000 -0.070 0.000 1.426 1175 F HN -0.081 nan 8.300 nan 0.000 0.559 1176 P HA -0.147 nan 4.420 nan 0.000 0.220 1176 P C 1.081 178.306 177.300 -0.126 0.000 1.148 1176 P CA 1.321 64.326 63.100 -0.159 0.000 0.803 1176 P CB 0.200 31.861 31.700 -0.064 0.000 0.782 1177 D N -0.715 119.664 120.400 -0.034 0.000 2.347 1177 D HA 0.004 4.647 4.640 0.006 0.000 0.215 1177 D C 0.738 177.028 176.300 -0.017 0.000 0.976 1177 D CA 0.146 54.137 54.000 -0.015 0.000 0.884 1177 D CB -0.630 40.179 40.800 0.014 0.000 0.915 1177 D HN 0.045 nan 8.370 nan 0.000 0.526 1178 A N 1.129 123.938 122.820 -0.018 0.000 2.450 1178 A HA 0.504 4.828 4.320 0.006 0.000 0.255 1178 A C 0.943 178.494 177.584 -0.056 0.000 1.096 1178 A CA 0.044 52.059 52.037 -0.037 0.000 0.778 1178 A CB 0.336 19.312 19.000 -0.041 0.000 1.031 1178 A HN 0.198 nan 8.150 nan 0.000 0.494 1179 G N 0.916 109.697 108.800 -0.030 0.000 2.483 1179 G HA2 0.347 4.310 3.960 0.006 0.000 0.248 1179 G HA3 0.347 4.310 3.960 0.006 0.000 0.248 1179 G C 0.643 175.554 174.900 0.018 0.000 1.248 1179 G CA 0.216 45.313 45.100 -0.004 0.000 0.838 1179 G HN 0.907 nan 8.290 nan 0.000 0.566 1180 E N 0.918 121.146 120.200 0.047 0.000 2.219 1180 E HA -0.189 4.165 4.350 0.006 0.000 0.198 1180 E C 1.610 178.259 176.600 0.082 0.000 0.998 1180 E CA 2.003 58.449 56.400 0.076 0.000 0.818 1180 E CB -0.057 29.692 29.700 0.081 0.000 0.741 1180 E HN 0.640 nan 8.360 nan 0.000 0.477 1181 D N -0.412 120.038 120.400 0.083 0.000 2.120 1181 D HA -0.125 4.519 4.640 0.006 0.000 0.202 1181 D C 1.811 178.174 176.300 0.106 0.000 0.972 1181 D CA 1.290 55.369 54.000 0.132 0.000 0.837 1181 D CB -0.159 40.725 40.800 0.140 0.000 0.989 1181 D HN 0.344 nan 8.370 nan 0.000 0.469 1182 E N -0.291 119.931 120.200 0.036 0.000 2.204 1182 E HA -0.151 4.203 4.350 0.006 0.000 0.195 1182 E C 1.940 178.518 176.600 -0.036 0.000 0.990 1182 E CA 0.618 57.006 56.400 -0.020 0.000 0.821 1182 E CB 0.005 29.671 29.700 -0.057 0.000 0.750 1182 E HN 0.363 nan 8.360 nan 0.000 0.477 1183 L N 0.187 121.406 121.223 -0.008 0.000 2.162 1183 L HA -0.062 4.281 4.340 0.006 0.000 0.205 1183 L C 2.456 179.324 176.870 -0.003 0.000 1.086 1183 L CA 0.420 55.250 54.840 -0.016 0.000 0.778 1183 L CB -0.222 41.852 42.059 0.025 0.000 0.928 1183 L HN 0.241 nan 8.230 nan 0.000 0.446 1184 L N -0.209 121.051 121.223 0.061 0.000 2.141 1184 L HA -0.179 4.165 4.340 0.006 0.000 0.209 1184 L C 2.538 179.439 176.870 0.051 0.000 1.094 1184 L CA 1.170 56.077 54.840 0.112 0.000 0.763 1184 L CB -0.359 41.837 42.059 0.228 0.000 0.908 1184 L HN 0.232 nan 8.230 nan 0.000 0.437 1185 K N -0.079 120.363 120.400 0.069 0.000 2.097 1185 K HA -0.125 4.198 4.320 0.006 0.000 0.205 1185 K C 2.033 178.529 176.600 -0.173 0.000 1.050 1185 K CA 0.954 57.236 56.287 -0.007 0.000 0.938 1185 K CB 0.045 32.541 32.500 -0.006 0.000 0.718 1185 K HN 0.173 nan 8.250 nan 0.000 0.442 1186 I N 0.975 121.458 120.570 -0.146 0.000 2.252 1186 I HA -0.225 3.948 4.170 0.006 0.000 0.245 1186 I C 2.162 178.151 176.117 -0.212 0.000 1.102 1186 I CA 1.203 62.403 61.300 -0.167 0.000 1.385 1186 I CB -0.718 37.198 38.000 -0.140 0.000 1.064 1186 I HN 0.069 nan 8.210 nan 0.000 0.414 1187 I N 1.352 121.781 120.570 -0.235 0.000 2.361 1187 I HA -0.157 4.017 4.170 0.006 0.000 0.251 1187 I C 2.641 178.454 176.117 -0.507 0.000 1.133 1187 I CA 1.338 62.471 61.300 -0.278 0.000 1.413 1187 I CB -1.197 36.692 38.000 -0.186 0.000 1.073 1187 I HN 0.152 nan 8.210 nan 0.000 0.424 1188 G N -0.149 108.086 108.800 -0.940 0.000 2.422 1188 G HA2 -0.323 3.641 3.960 0.006 0.000 0.218 1188 G HA3 -0.323 3.641 3.960 0.006 0.000 0.218 1188 G C 1.525 176.157 174.900 -0.446 0.000 1.140 1188 G CA 0.979 45.238 45.100 -1.402 0.000 0.775 1188 G HN 0.437 nan 8.290 nan 0.000 0.545 1189 N N 0.008 118.540 118.700 -0.279 0.000 2.149 1189 N HA -0.101 4.642 4.740 0.006 0.000 0.188 1189 N C 2.024 177.518 175.510 -0.027 0.000 1.019 1189 N CA 1.319 54.321 53.050 -0.080 0.000 0.857 1189 N CB -0.229 38.203 38.487 -0.092 0.000 0.997 1189 N HN 0.270 nan 8.380 nan 0.000 0.426 1190 L N 0.192 121.356 121.223 -0.099 0.000 2.007 1190 L HA 0.091 4.435 4.340 0.006 0.000 0.205 1190 L C 1.994 178.856 176.870 -0.014 0.000 1.073 1190 L CA 1.435 56.234 54.840 -0.069 0.000 0.744 1190 L CB -0.775 41.219 42.059 -0.110 0.000 0.898 1190 L HN 0.246 nan 8.230 nan 0.000 0.435 1191 L N -1.706 119.508 121.223 -0.015 0.000 1.994 1191 L HA -0.217 4.127 4.340 0.006 0.000 0.208 1191 L C 2.485 179.533 176.870 0.296 0.000 1.071 1191 L CA 1.891 56.830 54.840 0.165 0.000 0.745 1191 L CB -0.793 41.390 42.059 0.208 0.000 0.892 1191 L HN 0.398 nan 8.230 nan 0.000 0.431 1192 Y N -1.036 119.367 120.300 0.171 0.000 2.186 1192 Y HA -0.201 4.352 4.550 0.006 0.000 0.286 1192 Y C 2.648 178.618 175.900 0.117 0.000 1.109 1192 Y CA 0.873 59.084 58.100 0.185 0.000 1.099 1192 Y CB -0.723 37.789 38.460 0.086 0.000 1.030 1192 Y HN -0.009 nan 8.280 nan 0.000 0.495 1193 Y N 1.371 121.492 120.300 -0.299 0.000 2.070 1193 Y HA -0.249 4.305 4.550 0.006 0.000 0.280 1193 Y C 2.641 178.379 175.900 -0.270 0.000 1.148 1193 Y CA 2.419 60.335 58.100 -0.306 0.000 1.125 1193 Y CB -0.459 37.955 38.460 -0.076 0.000 0.975 1193 Y HN 0.080 nan 8.280 nan 0.000 0.492 1194 R N -1.828 118.560 120.500 -0.187 0.000 2.073 1194 R HA -0.126 4.218 4.340 0.006 0.000 0.229 1194 R C 0.657 176.864 176.300 -0.156 0.000 1.120 1194 R CA 0.941 56.919 56.100 -0.203 0.000 0.967 1194 R CB -0.616 29.654 30.300 -0.050 0.000 0.862 1194 R HN 0.264 nan 8.270 nan 0.000 0.436 1198 P HA 0.011 nan 4.420 nan 0.000 0.216 1198 P C 0.809 177.668 177.300 -0.735 0.000 1.150 1198 P CA 2.048 64.801 63.100 -0.578 0.000 0.837 1198 P CB -0.060 31.213 31.700 -0.712 0.000 0.786 1199 A N -0.925 121.348 122.820 -0.912 0.000 1.968 1199 A HA -0.111 4.213 4.320 0.006 0.000 0.217 1199 A C 2.166 179.661 177.584 -0.148 0.000 1.169 1199 A CA 1.135 52.825 52.037 -0.578 0.000 0.638 1199 A CB -1.439 17.273 19.000 -0.480 0.000 0.812 1199 A HN 0.124 nan 8.150 nan 0.000 0.446 1200 I N -0.638 119.865 120.570 -0.111 0.000 2.353 1200 I HA -0.154 4.020 4.170 0.006 0.000 0.248 1200 I C 2.188 178.330 176.117 0.042 0.000 1.119 1200 I CA 0.733 62.066 61.300 0.054 0.000 1.417 1200 I CB -0.141 37.935 38.000 0.127 0.000 1.078 1200 I HN 0.125 nan 8.210 nan 0.000 0.421 1201 V N 0.802 120.711 119.914 -0.009 0.000 2.453 1201 V HA -0.063 4.061 4.120 0.006 0.000 0.247 1201 V C 1.215 177.352 176.094 0.072 0.000 1.048 1201 V CA 1.531 63.847 62.300 0.026 0.000 1.049 1201 V CB -0.457 31.371 31.823 0.009 0.000 0.672 1201 V HN 0.492 nan 8.190 nan 0.000 0.457 1202 A N -0.215 122.675 122.820 0.118 0.000 3.317 1202 A HA 0.490 4.813 4.320 0.006 0.000 0.307 1202 A C -1.189 176.549 177.584 0.256 0.000 1.003 1202 A CA -0.757 51.398 52.037 0.196 0.000 0.882 1202 A CB 0.278 19.439 19.000 0.268 0.000 1.136 1202 A HN 0.283 nan 8.150 nan 0.000 0.488 1203 P HA -0.257 nan 4.420 nan 0.000 0.217 1203 P C 0.875 178.256 177.300 0.135 0.000 1.151 1203 P CA 1.562 64.750 63.100 0.146 0.000 0.849 1203 P CB 0.349 32.113 31.700 0.106 0.000 0.787 1204 D N 0.136 120.595 120.400 0.098 0.000 2.103 1204 D HA -0.104 4.539 4.640 0.006 0.000 0.199 1204 D C 2.010 178.327 176.300 0.028 0.000 0.978 1204 D CA 1.376 55.409 54.000 0.055 0.000 0.829 1204 D CB -0.245 40.576 40.800 0.035 0.000 0.981 1204 D HN 0.015 nan 8.370 nan 0.000 0.464 1205 A N -0.197 122.630 122.820 0.013 0.000 2.024 1205 A HA -0.149 4.174 4.320 0.006 0.000 0.220 1205 A C 1.590 178.987 177.584 -0.312 0.000 1.164 1205 A CA 0.947 52.899 52.037 -0.142 0.000 0.643 1205 A CB -0.765 18.133 19.000 -0.170 0.000 0.806 1205 A HN 0.306 nan 8.150 nan 0.000 0.451 1206 F N -0.069 119.874 119.950 -0.011 0.000 2.639 1206 F HA 0.188 4.719 4.527 0.007 0.000 0.300 1206 F C 0.212 176.002 175.800 -0.017 0.000 1.109 1206 F CA -0.360 57.629 58.000 -0.019 0.000 1.335 1206 F CB 0.185 39.162 39.000 -0.038 0.000 1.014 1206 F HN 0.164 nan 8.300 nan 0.000 0.537 1207 D N 0.775 121.224 120.400 0.081 0.000 2.751 1207 D HA -0.209 4.435 4.640 0.006 0.000 0.233 1207 D C 1.360 177.699 176.300 0.066 0.000 1.149 1207 D CA 0.397 54.430 54.000 0.054 0.000 0.682 1207 D CB -0.564 40.253 40.800 0.030 0.000 1.068 1207 D HN 0.203 nan 8.370 nan 0.000 0.429 1208 I N -0.149 120.470 120.570 0.082 0.000 2.480 1208 I HA 0.026 4.199 4.170 0.006 0.000 0.251 1208 I C 1.562 177.704 176.117 0.041 0.000 1.124 1208 I CA 1.047 62.382 61.300 0.058 0.000 1.444 1208 I CB -0.230 37.808 38.000 0.062 0.000 1.098 1208 I HN 0.226 nan 8.210 nan 0.000 0.428 1209 I N -2.656 117.941 120.570 0.045 0.000 2.892 1209 I HA 0.513 4.686 4.170 0.006 0.000 0.306 1209 I C -1.144 174.990 176.117 0.027 0.000 1.078 1209 I CA -0.802 60.517 61.300 0.033 0.000 1.032 1209 I CB 2.595 40.617 38.000 0.037 0.000 1.229 1209 I HN -0.223 nan 8.210 nan 0.000 0.435 1210 D N 5.346 125.757 120.400 0.019 0.000 2.453 1210 D HA 0.491 5.135 4.640 0.006 0.000 0.238 1210 D C -0.482 175.825 176.300 0.012 0.000 1.088 1210 D CA -0.120 53.888 54.000 0.013 0.000 0.854 1210 D CB 2.157 42.962 40.800 0.009 0.000 1.076 1210 D HN 0.433 nan 8.370 nan 0.000 0.533 1211 L N 1.090 122.320 121.223 0.012 0.000 2.421 1211 L HA 0.238 4.582 4.340 0.006 0.000 0.263 1211 L C 1.339 178.213 176.870 0.007 0.000 1.122 1211 L CA -0.689 54.158 54.840 0.011 0.000 0.804 1211 L CB 0.942 43.009 42.059 0.013 0.000 1.150 1211 L HN 0.332 nan 8.230 nan 0.000 0.457 1212 S N 0.701 116.405 115.700 0.006 0.000 2.549 1212 S HA -0.032 4.441 4.470 0.006 0.000 0.278 1212 S C 1.252 175.853 174.600 0.002 0.000 1.344 1212 S CA -0.062 58.141 58.200 0.004 0.000 1.025 1212 S CB 0.777 63.980 63.200 0.004 0.000 0.851 1212 S HN 0.740 nan 8.310 nan 0.000 0.530 1213 A N 2.197 125.018 122.820 0.001 0.000 2.042 1213 A HA 0.067 4.390 4.320 0.006 0.000 0.222 1213 A C 1.762 179.346 177.584 -0.001 0.000 1.167 1213 A CA 1.601 53.637 52.037 -0.001 0.000 0.649 1213 A CB -1.266 17.733 19.000 -0.002 0.000 0.809 1213 A HN 1.487 nan 8.150 nan 0.000 0.457 1214 G N -1.444 107.356 108.800 0.000 0.000 4.100 1214 G HA2 0.479 4.443 3.960 0.006 0.000 0.294 1214 G HA3 0.479 4.443 3.960 0.006 0.000 0.294 1214 G C 0.325 175.226 174.900 0.002 0.000 1.040 1214 G CA 0.484 45.584 45.100 0.001 0.000 0.829 1214 G HN 0.723 nan 8.290 nan 0.000 0.505 1215 G N -0.104 108.698 108.800 0.004 0.000 2.461 1215 G HA2 0.642 4.606 3.960 0.006 0.000 0.329 1215 G HA3 0.642 4.606 3.960 0.006 0.000 0.329 1215 G C -0.506 174.399 174.900 0.008 0.000 1.170 1215 G CA -0.643 44.461 45.100 0.006 0.000 0.935 1215 G HN 0.557 nan 8.290 nan 0.000 0.492 1216 Q N -0.635 119.171 119.800 0.011 0.000 2.534 1216 Q HA 0.575 4.918 4.340 0.006 0.000 0.290 1216 Q C -1.504 174.507 176.000 0.019 0.000 0.991 1216 Q CA -1.058 54.754 55.803 0.014 0.000 0.783 1216 Q CB 1.409 30.154 28.738 0.012 0.000 1.470 1216 Q HN 0.322 nan 8.270 nan 0.000 0.406 1217 L N 2.015 123.253 121.223 0.024 0.000 2.461 1217 L HA 0.252 4.596 4.340 0.006 0.000 0.272 1217 L C 0.608 177.492 176.870 0.024 0.000 1.197 1217 L CA 0.746 55.603 54.840 0.028 0.000 0.836 1217 L CB 1.034 43.115 42.059 0.037 0.000 1.105 1217 L HN 0.895 nan 8.230 nan 0.000 0.477 1218 T N -2.094 112.473 114.554 0.023 0.000 2.882 1218 T HA 0.177 4.531 4.350 0.006 0.000 0.287 1218 T C 1.372 176.084 174.700 0.020 0.000 1.014 1218 T CA -0.035 62.077 62.100 0.019 0.000 1.049 1218 T CB 0.838 69.716 68.868 0.017 0.000 1.001 1218 T HN 0.807 nan 8.240 nan 0.000 0.525 1219 T N -1.115 113.449 114.554 0.017 0.000 2.833 1219 T HA -0.142 4.212 4.350 0.006 0.000 0.269 1219 T C 1.279 175.990 174.700 0.018 0.000 1.054 1219 T CA 1.449 63.559 62.100 0.017 0.000 1.135 1219 T CB -0.652 68.224 68.868 0.014 0.000 0.869 1219 T HN 0.611 nan 8.240 nan 0.000 0.466 1220 D N 1.372 121.782 120.400 0.016 0.000 2.097 1220 D HA -0.054 4.590 4.640 0.006 0.000 0.197 1220 D C 2.543 178.855 176.300 0.020 0.000 0.984 1220 D CA 1.193 55.202 54.000 0.016 0.000 0.826 1220 D CB -0.376 40.433 40.800 0.014 0.000 0.973 1220 D HN 0.589 nan 8.370 nan 0.000 0.460 1221 Q N 0.047 119.862 119.800 0.025 0.000 2.061 1221 Q HA -0.166 4.177 4.340 0.006 0.000 0.204 1221 Q C 2.289 178.310 176.000 0.034 0.000 0.984 1221 Q CA 1.193 57.016 55.803 0.032 0.000 0.846 1221 Q CB -0.073 28.688 28.738 0.037 0.000 0.902 1221 Q HN 0.179 nan 8.270 nan 0.000 0.421 1222 R N 0.936 121.456 120.500 0.032 0.000 2.073 1222 R HA -0.147 4.197 4.340 0.006 0.000 0.234 1222 R C 2.363 178.680 176.300 0.028 0.000 1.134 1222 R CA 1.415 57.536 56.100 0.034 0.000 0.952 1222 R CB -0.110 30.210 30.300 0.034 0.000 0.850 1222 R HN 0.085 nan 8.270 nan 0.000 0.433 1223 R N 0.391 120.904 120.500 0.023 0.000 2.083 1223 R HA -0.149 4.195 4.340 0.006 0.000 0.237 1223 R C 1.815 178.120 176.300 0.009 0.000 1.137 1223 R CA 2.321 58.432 56.100 0.018 0.000 0.951 1223 R CB -0.391 29.919 30.300 0.015 0.000 0.851 1223 R HN 0.445 nan 8.270 nan 0.000 0.434 1224 N N 0.078 118.781 118.700 0.006 0.000 2.069 1224 N HA -0.177 4.567 4.740 0.006 0.000 0.191 1224 N C 1.912 177.403 175.510 -0.031 0.000 1.031 1224 N CA 1.446 54.491 53.050 -0.009 0.000 0.852 1224 N CB -0.117 38.372 38.487 0.003 0.000 1.018 1224 N HN 0.190 nan 8.380 nan 0.000 0.423 1225 L N 0.268 121.484 121.223 -0.012 0.000 2.093 1225 L HA -0.067 4.276 4.340 0.006 0.000 0.208 1225 L C 2.603 179.457 176.870 -0.026 0.000 1.085 1225 L CA 0.967 55.790 54.840 -0.029 0.000 0.755 1225 L CB -0.797 41.281 42.059 0.031 0.000 0.904 1225 L HN 0.293 nan 8.230 nan 0.000 0.435 1226 G N -0.635 108.169 108.800 0.006 0.000 2.418 1226 G HA2 -0.239 3.725 3.960 0.006 0.000 0.217 1226 G HA3 -0.239 3.725 3.960 0.006 0.000 0.217 1226 G C 1.736 176.654 174.900 0.030 0.000 1.158 1226 G CA 0.980 46.097 45.100 0.029 0.000 0.771 1226 G HN 0.354 nan 8.290 nan 0.000 0.545 1227 S N 0.456 116.159 115.700 0.006 0.000 2.368 1227 S HA -0.005 4.469 4.470 0.006 0.000 0.224 1227 S C 2.277 176.869 174.600 -0.014 0.000 1.029 1227 S CA 0.798 59.001 58.200 0.005 0.000 0.988 1227 S CB -0.186 63.003 63.200 -0.019 0.000 0.838 1227 S HN 0.374 nan 8.310 nan 0.000 0.462 1228 I N 1.814 122.326 120.570 -0.097 0.000 2.226 1228 I HA -0.202 3.972 4.170 0.006 0.000 0.245 1228 I C 2.717 178.776 176.117 -0.097 0.000 1.100 1228 I CA 1.077 62.257 61.300 -0.200 0.000 1.374 1228 I CB -0.502 37.179 38.000 -0.531 0.000 1.057 1228 I HN 0.259 nan 8.210 nan 0.000 0.413 1229 A N 0.590 123.392 122.820 -0.030 0.000 1.908 1229 A HA -0.208 4.116 4.320 0.006 0.000 0.218 1229 A C 1.711 179.422 177.584 0.211 0.000 1.181 1229 A CA 1.121 53.237 52.037 0.131 0.000 0.627 1229 A CB -0.438 18.634 19.000 0.121 0.000 0.818 1229 A HN 0.332 nan 8.150 nan 0.000 0.445 1233 Q N 0.814 120.705 119.800 0.151 0.000 2.061 1233 Q HA -0.214 4.130 4.340 0.006 0.000 0.204 1233 Q C 1.919 177.944 176.000 0.041 0.000 0.984 1233 Q CA 2.055 57.982 55.803 0.207 0.000 0.846 1233 Q CB 0.014 28.940 28.738 0.312 0.000 0.902 1233 Q HN 0.577 nan 8.270 nan 0.000 0.421 1234 H N -0.864 118.177 119.070 -0.047 0.000 2.353 1234 H HA -0.088 4.471 4.556 0.006 0.000 0.300 1234 H C 1.993 177.280 175.328 -0.068 0.000 1.090 1234 H CA 1.081 57.042 56.048 -0.145 0.000 1.327 1234 H CB 0.154 29.741 29.762 -0.293 0.000 1.383 1234 H HN 0.435 nan 8.280 nan 0.000 0.508 1235 A N 1.250 124.168 122.820 0.163 0.000 1.877 1235 A HA -0.088 4.235 4.320 0.006 0.000 0.216 1235 A C 2.639 180.423 177.584 0.333 0.000 1.186 1235 A CA 1.463 53.637 52.037 0.228 0.000 0.620 1235 A CB -0.777 18.384 19.000 0.268 0.000 0.822 1235 A HN 0.433 nan 8.150 nan 0.000 0.443 1236 A N -0.027 122.873 122.820 0.134 0.000 2.019 1236 A HA -0.022 4.301 4.320 0.006 0.000 0.219 1236 A C 2.127 179.809 177.584 0.162 0.000 1.164 1236 A CA 2.094 54.093 52.037 -0.062 0.000 0.644 1236 A CB -0.572 18.138 19.000 -0.483 0.000 0.805 1236 A HN 1.046 nan 8.150 nan 0.000 0.449 1237 S N -1.886 113.784 115.700 -0.049 0.000 2.578 1237 S HA 0.202 4.676 4.470 0.006 0.000 0.231 1237 S C 0.455 174.800 174.600 -0.425 0.000 0.994 1237 S CA 0.337 58.414 58.200 -0.204 0.000 0.956 1237 S CB -0.386 62.667 63.200 -0.247 0.000 0.870 1237 S HN 0.605 nan 8.310 nan 0.000 0.494 1238 N N 1.729 120.151 118.700 -0.463 0.000 2.725 1238 N HA -0.219 4.524 4.740 0.006 0.000 0.251 1238 N C -0.335 174.979 175.510 -0.326 0.000 1.031 1238 N CA 0.926 53.662 53.050 -0.523 0.000 0.720 1238 N CB -1.334 36.474 38.487 -1.132 0.000 0.930 1238 N HN 0.805 nan 8.380 nan 0.000 0.543 1242 L N 1.420 122.744 121.223 0.169 0.000 2.558 1242 L HA 1.015 5.358 4.340 0.006 0.000 0.260 1242 L C 0.901 177.821 176.870 0.084 0.000 1.130 1242 L CA -0.589 54.305 54.840 0.091 0.000 1.049 1242 L CB 1.174 43.262 42.059 0.049 0.000 1.758 1242 L HN 0.879 nan 8.230 nan 0.000 0.555 1243 G N 0.163 108.996 108.800 0.054 0.000 2.660 1243 G HA2 -0.237 3.727 3.960 0.006 0.000 0.215 1243 G HA3 -0.237 3.727 3.960 0.006 0.000 0.215 1243 G C -0.742 174.180 174.900 0.036 0.000 1.345 1243 G CA -0.103 45.026 45.100 0.048 0.000 0.877 1243 G HN 0.673 nan 8.290 nan 0.000 0.549 1244 D N 1.369 121.793 120.400 0.041 0.000 3.057 1244 D HA 0.255 4.899 4.640 0.006 0.000 0.246 1244 D C 0.326 176.663 176.300 0.062 0.000 1.238 1244 D CA -0.275 53.751 54.000 0.042 0.000 0.949 1244 D CB -0.865 39.961 40.800 0.043 0.000 1.086 1244 D HN 0.351 nan 8.370 nan 0.000 0.487 1245 N N 0.891 119.593 118.700 0.002 0.000 2.886 1245 N HA 0.167 4.910 4.740 0.006 0.000 0.285 1245 N C 0.609 175.939 175.510 -0.300 0.000 1.706 1245 N CA -0.194 52.766 53.050 -0.149 0.000 0.904 1245 N CB 1.581 39.915 38.487 -0.255 0.000 1.224 1245 N HN 0.161 nan 8.380 nan 0.000 0.488 1246 A N 0.680 123.453 122.820 -0.078 0.000 2.121 1246 A HA -0.176 4.148 4.320 0.006 0.000 0.218 1246 A C 1.728 179.269 177.584 -0.071 0.000 1.154 1246 A CA 0.871 52.875 52.037 -0.054 0.000 0.679 1246 A CB -0.692 18.318 19.000 0.017 0.000 0.795 1246 A HN 0.602 nan 8.150 nan 0.000 0.458 1247 H N -1.845 117.212 119.070 -0.021 0.000 2.521 1247 H HA 0.034 4.594 4.556 0.006 0.000 0.286 1247 H C 0.990 176.292 175.328 -0.043 0.000 1.034 1247 H CA 0.872 56.900 56.048 -0.033 0.000 1.278 1247 H CB -0.348 29.388 29.762 -0.043 0.000 1.386 1247 H HN 0.331 nan 8.280 nan 0.000 0.567 1248 L N 2.391 123.340 121.223 -0.457 0.000 2.611 1248 L HA 0.034 4.377 4.340 0.006 0.000 0.229 1248 L C 2.276 179.081 176.870 -0.107 0.000 1.137 1248 L CA 0.632 55.294 54.840 -0.297 0.000 0.901 1248 L CB -0.334 41.466 42.059 -0.432 0.000 1.098 1248 L HN 0.368 nan 8.230 nan 0.000 0.456 1249 S N -1.027 114.632 115.700 -0.069 0.000 2.419 1249 S HA -0.181 4.292 4.470 0.006 0.000 0.235 1249 S C 1.919 176.535 174.600 0.026 0.000 1.019 1249 S CA 1.006 59.204 58.200 -0.004 0.000 0.982 1249 S CB -0.466 62.734 63.200 -0.001 0.000 0.789 1249 S HN 0.297 nan 8.310 nan 0.000 0.490 1250 I N 2.077 122.656 120.570 0.016 0.000 2.226 1250 I HA -0.091 4.082 4.170 0.006 0.000 0.245 1250 I C 2.344 178.507 176.117 0.076 0.000 1.100 1250 I CA 0.781 62.102 61.300 0.035 0.000 1.374 1250 I CB -0.626 37.379 38.000 0.008 0.000 1.057 1250 I HN 0.253 nan 8.210 nan 0.000 0.413 1251 I N 0.651 121.256 120.570 0.058 0.000 2.226 1251 I HA -0.250 3.924 4.170 0.006 0.000 0.245 1251 I C 2.138 178.396 176.117 0.235 0.000 1.100 1251 I CA 1.430 62.808 61.300 0.130 0.000 1.374 1251 I CB -1.370 36.651 38.000 0.036 0.000 1.057 1251 I HN 0.322 nan 8.210 nan 0.000 0.413 1252 N N 1.122 119.933 118.700 0.185 0.000 2.120 1252 N HA -0.187 4.557 4.740 0.006 0.000 0.188 1252 N C 1.756 177.344 175.510 0.129 0.000 1.024 1252 N CA 1.186 54.341 53.050 0.174 0.000 0.852 1252 N CB -0.222 38.342 38.487 0.128 0.000 1.003 1252 N HN 0.481 nan 8.380 nan 0.000 0.424 1253 E N -0.429 119.841 120.200 0.116 0.000 2.110 1253 E HA -0.203 4.151 4.350 0.006 0.000 0.193 1253 E C 1.632 178.303 176.600 0.118 0.000 0.988 1253 E CA 0.781 57.239 56.400 0.096 0.000 0.804 1253 E CB -0.192 29.559 29.700 0.084 0.000 0.745 1253 E HN 0.431 nan 8.360 nan 0.000 0.458 1254 Y N 1.338 121.665 120.300 0.045 0.000 2.242 1254 Y HA -0.156 4.398 4.550 0.007 0.000 0.291 1254 Y C 1.816 177.752 175.900 0.060 0.000 1.137 1254 Y CA 1.186 59.311 58.100 0.041 0.000 1.181 1254 Y CB -0.098 38.383 38.460 0.034 0.000 0.989 1254 Y HN -0.055 nan 8.280 nan 0.000 0.527 1255 L N -1.059 120.178 121.223 0.025 0.000 2.046 1255 L HA -0.231 4.113 4.340 0.006 0.000 0.208 1255 L C 2.537 179.392 176.870 -0.025 0.000 1.077 1255 L CA 1.550 56.377 54.840 -0.022 0.000 0.747 1255 L CB -0.801 41.323 42.059 0.109 0.000 0.896 1255 L HN 0.118 nan 8.230 nan 0.000 0.432 1256 S N -0.603 115.105 115.700 0.013 0.000 2.368 1256 S HA -0.227 4.247 4.470 0.006 0.000 0.225 1256 S C 1.943 176.563 174.600 0.033 0.000 1.030 1256 S CA 1.283 59.512 58.200 0.049 0.000 0.999 1256 S CB -0.196 63.030 63.200 0.043 0.000 0.844 1256 S HN 0.450 nan 8.310 nan 0.000 0.459 1257 Q N 0.675 120.445 119.800 -0.051 0.000 2.079 1257 Q HA -0.028 4.316 4.340 0.006 0.000 0.200 1257 Q C 2.438 178.340 176.000 -0.163 0.000 0.974 1257 Q CA 1.433 57.182 55.803 -0.090 0.000 0.840 1257 Q CB -0.269 28.412 28.738 -0.096 0.000 0.898 1257 Q HN 0.397 nan 8.270 nan 0.000 0.430 1258 S N 0.349 115.867 115.700 -0.303 0.000 2.382 1258 S HA -0.183 4.291 4.470 0.006 0.000 0.228 1258 S C 1.622 176.151 174.600 -0.119 0.000 1.027 1258 S CA 1.059 59.054 58.200 -0.341 0.000 0.991 1258 S CB -0.399 62.486 63.200 -0.524 0.000 0.823 1258 S HN 0.418 nan 8.310 nan 0.000 0.469 1259 Y N 2.752 123.001 120.300 -0.086 0.000 2.207 1259 Y HA -0.196 4.359 4.550 0.008 0.000 0.287 1259 Y C 2.310 178.211 175.900 0.001 0.000 1.156 1259 Y CA 1.439 59.556 58.100 0.028 0.000 1.182 1259 Y CB -0.593 37.882 38.460 0.026 0.000 0.979 1259 Y HN 0.156 nan 8.280 nan 0.000 0.521 1260 Q N 0.764 120.434 119.800 -0.217 0.000 2.096 1260 Q HA -0.210 4.133 4.340 0.006 0.000 0.204 1260 Q C 2.157 177.994 176.000 -0.271 0.000 0.982 1260 Q CA 2.048 57.686 55.803 -0.276 0.000 0.850 1260 Q CB -0.393 28.264 28.738 -0.134 0.000 0.901 1260 Q HN 0.554 nan 8.270 nan 0.000 0.422 1261 K N -0.288 119.969 120.400 -0.239 0.000 2.025 1261 K HA -0.068 4.256 4.320 0.006 0.000 0.207 1261 K C 2.145 178.583 176.600 -0.270 0.000 1.049 1261 K CA 0.977 57.115 56.287 -0.247 0.000 0.933 1261 K CB -0.310 32.008 32.500 -0.304 0.000 0.714 1261 K HN 0.107 nan 8.250 nan 0.000 0.438 1262 F N 1.375 121.078 119.950 -0.412 0.000 2.161 1262 F HA -0.224 4.306 4.527 0.005 0.000 0.300 1262 F C 2.741 177.940 175.800 -1.002 0.000 1.089 1262 F CA 0.833 58.421 58.000 -0.686 0.000 1.282 1262 F CB 0.049 38.744 39.000 -0.510 0.000 1.010 1262 F HN 0.036 nan 8.300 nan 0.000 0.485 1263 R N 0.278 120.478 120.500 -0.500 0.000 2.073 1263 R HA -0.217 4.126 4.340 0.006 0.000 0.234 1263 R C 2.697 178.906 176.300 -0.152 0.000 1.134 1263 R CA 1.787 57.681 56.100 -0.344 0.000 0.952 1263 R CB -0.482 29.512 30.300 -0.509 0.000 0.850 1263 R HN 0.207 nan 8.270 nan 0.000 0.433 1264 R N 0.275 120.690 120.500 -0.142 0.000 2.096 1264 R HA -0.162 4.182 4.340 0.006 0.000 0.235 1264 R C 1.866 178.178 176.300 0.020 0.000 1.127 1264 R CA 1.782 57.854 56.100 -0.046 0.000 0.968 1264 R CB -1.628 28.643 30.300 -0.047 0.000 0.861 1264 R HN 0.386 nan 8.270 nan 0.000 0.440 1265 F N 0.653 120.503 119.950 -0.167 0.000 2.075 1265 F HA -0.024 4.507 4.527 0.006 0.000 0.297 1265 F C 2.070 177.914 175.800 0.073 0.000 1.113 1265 F CA 1.523 59.476 58.000 -0.080 0.000 1.218 1265 F CB -0.412 38.512 39.000 -0.127 0.000 0.984 1265 F HN 0.203 nan 8.300 nan 0.000 0.472 1266 F N 0.368 120.352 119.950 0.057 0.000 2.161 1266 F HA -0.274 4.256 4.527 0.005 0.000 0.300 1266 F C 2.731 178.460 175.800 -0.118 0.000 1.089 1266 F CA 1.204 59.151 58.000 -0.090 0.000 1.282 1266 F CB -0.761 38.271 39.000 0.053 0.000 1.010 1266 F HN 0.129 nan 8.300 nan 0.000 0.485 1267 Q N 0.407 120.276 119.800 0.116 0.000 2.016 1267 Q HA -0.167 4.176 4.340 0.006 0.000 0.200 1267 Q C 2.020 178.020 176.000 -0.000 0.000 0.978 1267 Q CA 2.222 58.056 55.803 0.051 0.000 0.833 1267 Q CB -0.156 28.607 28.738 0.041 0.000 0.895 1267 Q HN 0.264 nan 8.270 nan 0.000 0.427 1268 T N 0.671 115.211 114.554 -0.025 0.000 2.788 1268 T HA -0.131 4.223 4.350 0.006 0.000 0.268 1268 T C 1.775 176.433 174.700 -0.069 0.000 1.044 1268 T CA 1.120 63.202 62.100 -0.031 0.000 1.139 1268 T CB -0.393 68.471 68.868 -0.007 0.000 0.867 1268 T HN 0.459 nan 8.240 nan 0.000 0.454 1269 A N 0.562 123.275 122.820 -0.179 0.000 1.978 1269 A HA -0.134 4.189 4.320 0.006 0.000 0.220 1269 A C 2.556 180.094 177.584 -0.076 0.000 1.170 1269 A CA 1.449 53.373 52.037 -0.187 0.000 0.636 1269 A CB -1.190 17.604 19.000 -0.343 0.000 0.810 1269 A HN 0.655 nan 8.150 nan 0.000 0.448 1270 C N -0.302 118.966 119.300 -0.053 0.000 2.481 1270 C HA 0.049 4.513 4.460 0.006 0.000 0.275 1270 C C 1.111 176.107 174.990 0.010 0.000 1.419 1270 C CA 0.072 59.073 59.018 -0.029 0.000 1.773 1270 C CB -1.133 26.590 27.740 -0.027 0.000 1.862 1270 C HN 0.573 nan 8.230 nan 0.000 0.530 1271 D N 1.558 121.969 120.400 0.018 0.000 2.498 1271 D HA 0.272 4.915 4.640 0.006 0.000 0.229 1271 D C -0.472 175.874 176.300 0.078 0.000 1.188 1271 D CA 0.659 54.684 54.000 0.042 0.000 1.028 1271 D CB 0.015 40.834 40.800 0.031 0.000 1.087 1271 D HN 0.088 nan 8.370 nan 0.000 0.510 1272 V N 3.870 123.856 119.914 0.121 0.000 3.007 1272 V HA 0.427 4.550 4.120 0.006 0.000 0.311 1272 V C -2.081 174.166 176.094 0.255 0.000 1.120 1272 V CA -1.851 60.574 62.300 0.208 0.000 0.980 1272 V CB 2.433 34.413 31.823 0.262 0.000 1.033 1272 V HN 0.332 nan 8.190 nan 0.000 0.429 1273 P HA 0.159 nan 4.420 nan 0.000 0.269 1273 P C -0.333 177.146 177.300 0.299 0.000 1.215 1273 P CA -0.218 63.002 63.100 0.201 0.000 0.780 1273 P CB 0.420 32.166 31.700 0.077 0.000 0.898 1274 E N 0.909 121.241 120.200 0.221 0.000 2.409 1274 E HA -0.015 4.338 4.350 0.006 0.000 0.257 1274 E C 1.206 177.914 176.600 0.180 0.000 1.150 1274 E CA -0.263 56.285 56.400 0.246 0.000 0.942 1274 E CB 0.161 29.970 29.700 0.182 0.000 0.979 1274 E HN 0.282 nan 8.360 nan 0.000 0.447 1275 L N 1.825 123.099 121.223 0.086 0.000 2.012 1275 L HA -0.260 4.083 4.340 0.006 0.000 0.210 1275 L C 2.220 179.265 176.870 0.291 0.000 1.073 1275 L CA 1.784 56.668 54.840 0.074 0.000 0.748 1275 L CB -0.500 41.475 42.059 -0.140 0.000 0.891 1275 L HN 0.397 nan 8.230 nan 0.000 0.431 1276 Q N -0.284 119.653 119.800 0.228 0.000 2.045 1276 Q HA -0.231 4.113 4.340 0.006 0.000 0.206 1276 Q C 1.933 178.001 176.000 0.113 0.000 0.991 1276 Q CA 2.021 57.931 55.803 0.178 0.000 0.851 1276 Q CB -0.798 28.013 28.738 0.121 0.000 0.911 1276 Q HN 0.590 nan 8.270 nan 0.000 0.418 1277 D N 0.536 120.984 120.400 0.081 0.000 2.117 1277 D HA -0.147 4.496 4.640 0.006 0.000 0.197 1277 D C 1.899 178.174 176.300 -0.043 0.000 0.987 1277 D CA 1.175 55.188 54.000 0.021 0.000 0.829 1277 D CB -0.085 40.729 40.800 0.024 0.000 0.961 1277 D HN 0.090 nan 8.370 nan 0.000 0.460 1278 K N 0.555 120.904 120.400 -0.085 0.000 2.026 1278 K HA -0.102 4.221 4.320 0.006 0.000 0.208 1278 K C 1.399 177.750 176.600 -0.415 0.000 1.048 1278 K CA 0.940 57.006 56.287 -0.368 0.000 0.929 1278 K CB -0.479 31.537 32.500 -0.807 0.000 0.713 1278 K HN 0.053 nan 8.250 nan 0.000 0.439 1279 F N 1.569 121.428 119.950 -0.153 0.000 2.692 1279 F HA 0.230 4.761 4.527 0.006 0.000 0.303 1279 F C -0.065 175.653 175.800 -0.137 0.000 1.114 1279 F CA -0.211 57.713 58.000 -0.126 0.000 1.361 1279 F CB -0.453 38.500 39.000 -0.077 0.000 1.063 1279 F HN 0.037 nan 8.300 nan 0.000 0.550 1280 N N 1.206 119.896 118.700 -0.016 0.000 2.669 1280 N HA -0.165 4.578 4.740 0.006 0.000 0.266 1280 N C -0.852 174.634 175.510 -0.040 0.000 1.024 1280 N CA 1.002 54.030 53.050 -0.035 0.000 0.766 1280 N CB -1.162 37.291 38.487 -0.056 0.000 0.898 1280 N HN 0.255 nan 8.380 nan 0.000 0.548 1281 V N -2.786 117.101 119.914 -0.045 0.000 2.709 1281 V HA 0.566 4.690 4.120 0.006 0.000 0.308 1281 V C 0.493 176.552 176.094 -0.058 0.000 1.062 1281 V CA -0.779 61.463 62.300 -0.098 0.000 0.901 1281 V CB 2.603 34.278 31.823 -0.246 0.000 1.003 1281 V HN -0.009 nan 8.190 nan 0.000 0.425 1282 D N 1.607 121.977 120.400 -0.049 0.000 2.423 1282 D HA 0.180 4.823 4.640 0.006 0.000 0.208 1282 D C 0.901 177.200 176.300 -0.002 0.000 1.068 1282 D CA 0.637 54.628 54.000 -0.016 0.000 0.860 1282 D CB 1.606 42.400 40.800 -0.011 0.000 0.992 1282 D HN 0.866 nan 8.370 nan 0.000 0.504 1283 E N -1.620 118.573 120.200 -0.011 0.000 2.626 1283 E HA 0.034 4.388 4.350 0.006 0.000 0.198 1283 E C -0.170 176.502 176.600 0.121 0.000 0.943 1283 E CA -0.076 56.347 56.400 0.039 0.000 1.515 1283 E CB 1.678 31.398 29.700 0.034 0.000 1.677 1283 E HN 0.011 nan 8.360 nan 0.000 0.897 1284 Y N -0.568 119.685 120.300 -0.077 0.000 4.136 1284 Y HA -0.323 4.230 4.550 0.005 0.000 0.345 1284 Y C 1.205 177.084 175.900 -0.034 0.000 1.211 1284 Y CA 1.303 59.363 58.100 -0.066 0.000 1.584 1284 Y CB -1.485 36.969 38.460 -0.011 0.000 0.780 1284 Y HN 0.044 nan 8.280 nan 0.000 0.383 1285 S N 1.298 116.983 115.700 -0.026 0.000 2.474 1285 S HA -0.057 4.416 4.470 0.006 0.000 0.235 1285 S C 0.508 175.027 174.600 -0.134 0.000 0.997 1285 S CA 1.200 59.374 58.200 -0.044 0.000 0.949 1285 S CB -0.171 63.028 63.200 -0.001 0.000 0.766 1285 S HN 0.473 nan 8.310 nan 0.000 0.517 1286 D N -0.193 120.095 120.400 -0.188 0.000 2.466 1286 D HA 0.438 5.082 4.640 0.006 0.000 0.262 1286 D C 1.335 177.457 176.300 -0.296 0.000 1.177 1286 D CA -0.491 53.393 54.000 -0.194 0.000 1.035 1286 D CB 0.874 41.576 40.800 -0.164 0.000 1.105 1286 D HN -0.014 nan 8.370 nan 0.000 0.551 1287 L N -1.592 119.503 121.223 -0.213 0.000 4.252 1287 L HA -0.292 4.052 4.340 0.006 0.000 0.370 1287 L C 1.245 178.011 176.870 -0.173 0.000 0.743 1287 L CA 1.167 55.888 54.840 -0.197 0.000 2.767 1287 L CB -1.656 40.225 42.059 -0.298 0.000 0.809 1287 L HN 0.359 nan 8.230 nan 0.000 0.696 1288 V N -0.714 119.051 119.914 -0.249 0.000 1.983 1288 V HA 0.120 4.244 4.120 0.006 0.000 0.237 1288 V C 1.528 177.574 176.094 -0.079 0.000 1.601 1288 V CA 1.004 63.208 62.300 -0.160 0.000 1.566 1288 V CB -0.546 31.166 31.823 -0.186 0.000 1.557 1288 V HN 0.528 nan 8.190 nan 0.000 0.500 1289 T N -0.194 114.330 114.554 -0.050 0.000 3.023 1289 T HA 0.185 4.539 4.350 0.006 0.000 0.253 1289 T C 1.235 175.932 174.700 -0.004 0.000 1.038 1289 T CA 0.577 62.661 62.100 -0.026 0.000 0.962 1289 T CB -0.108 68.747 68.868 -0.021 0.000 1.018 1289 T HN 0.664 nan 8.240 nan 0.000 0.521 1290 L N -0.273 120.954 121.223 0.006 0.000 2.650 1290 L HA 0.343 4.687 4.340 0.006 0.000 0.235 1290 L C 1.115 177.995 176.870 0.017 0.000 1.149 1290 L CA -0.246 54.611 54.840 0.028 0.000 0.887 1290 L CB -1.512 40.579 42.059 0.053 0.000 1.021 1290 L HN 0.104 nan 8.230 nan 0.000 0.441 1291 T N -0.680 113.874 114.554 -0.000 0.000 13.716 1291 T HA -0.413 3.940 4.350 0.006 0.000 0.419 1291 T C 0.563 175.248 174.700 -0.026 0.000 1.441 1291 T CA 2.009 64.102 62.100 -0.011 0.000 2.346 1291 T CB -0.697 68.169 68.868 -0.004 0.000 2.783 1291 T HN 0.571 nan 8.240 nan 0.000 0.472 1292 K N 4.863 125.248 120.400 -0.025 0.000 2.266 1292 K HA 0.322 4.645 4.320 0.006 0.000 0.274 1292 K C -2.539 174.034 176.600 -0.045 0.000 1.090 1292 K CA -2.059 54.195 56.287 -0.055 0.000 0.925 1292 K CB 0.926 33.399 32.500 -0.046 0.000 1.225 1292 K HN 0.323 nan 8.250 nan 0.000 0.458 1293 P HA -0.005 nan 4.420 nan 0.000 0.266 1293 P C -0.758 176.520 177.300 -0.036 0.000 1.215 1293 P CA -0.207 62.891 63.100 -0.003 0.000 0.763 1293 P CB 0.920 32.660 31.700 0.067 0.000 0.806 1294 V N 5.671 125.544 119.914 -0.068 0.000 2.513 1294 V HA 0.316 4.440 4.120 0.006 0.000 0.299 1294 V C 0.458 176.363 176.094 -0.316 0.000 1.035 1294 V CA -0.686 61.472 62.300 -0.236 0.000 0.889 1294 V CB 1.715 33.285 31.823 -0.422 0.000 0.988 1294 V HN 0.361 nan 8.190 nan 0.000 0.440 1295 I N 4.655 125.079 120.570 -0.244 0.000 2.339 1295 I HA 0.364 4.538 4.170 0.006 0.000 0.290 1295 I C -0.720 175.255 176.117 -0.236 0.000 0.994 1295 I CA -0.177 61.041 61.300 -0.136 0.000 1.191 1295 I CB 1.034 39.044 38.000 0.015 0.000 1.343 1295 I HN 0.447 nan 8.210 nan 0.000 0.458 1296 Y N 7.318 127.668 120.300 0.084 0.000 2.504 1296 Y HA 0.567 5.121 4.550 0.006 0.000 0.351 1296 Y C 0.184 176.119 175.900 0.059 0.000 0.988 1296 Y CA -0.173 57.973 58.100 0.077 0.000 1.239 1296 Y CB 0.618 39.124 38.460 0.075 0.000 1.128 1296 Y HN 0.430 nan 8.280 nan 0.000 0.525 1297 I N 2.574 123.228 120.570 0.140 0.000 2.722 1297 I HA 0.445 4.619 4.170 0.006 0.000 0.295 1297 I C -0.425 175.738 176.117 0.076 0.000 1.161 1297 I CA -0.616 60.727 61.300 0.072 0.000 1.032 1297 I CB 1.684 39.662 38.000 -0.037 0.000 1.244 1297 I HN 0.581 nan 8.210 nan 0.000 0.421 1298 S N 6.389 122.123 115.700 0.057 0.000 2.645 1298 S HA 0.357 4.830 4.470 0.006 0.000 0.266 1298 S C 1.208 175.827 174.600 0.032 0.000 1.258 1298 S CA -0.770 57.462 58.200 0.054 0.000 0.990 1298 S CB 1.211 64.443 63.200 0.053 0.000 0.967 1298 S HN 0.557 nan 8.310 nan 0.000 0.556 1299 I N 1.344 121.936 120.570 0.036 0.000 2.286 1299 I HA -0.049 4.125 4.170 0.006 0.000 0.248 1299 I C 2.633 178.764 176.117 0.025 0.000 1.115 1299 I CA 1.700 63.015 61.300 0.026 0.000 1.392 1299 I CB -2.411 35.614 38.000 0.042 0.000 1.065 1299 I HN 0.926 nan 8.210 nan 0.000 0.418 1300 G N 0.759 109.582 108.800 0.037 0.000 2.418 1300 G HA2 -0.229 3.735 3.960 0.006 0.000 0.217 1300 G HA3 -0.229 3.735 3.960 0.006 0.000 0.217 1300 G C 1.582 176.509 174.900 0.045 0.000 1.158 1300 G CA 0.515 45.643 45.100 0.047 0.000 0.771 1300 G HN 0.449 nan 8.290 nan 0.000 0.545 1301 E N -0.084 120.131 120.200 0.025 0.000 2.152 1301 E HA 0.035 4.389 4.350 0.006 0.000 0.192 1301 E C 2.445 179.023 176.600 -0.036 0.000 0.983 1301 E CA 0.223 56.620 56.400 -0.005 0.000 0.818 1301 E CB -0.079 29.605 29.700 -0.027 0.000 0.758 1301 E HN 0.444 nan 8.360 nan 0.000 0.467 1302 I N 1.040 121.582 120.570 -0.047 0.000 2.179 1302 I HA -0.287 3.886 4.170 0.006 0.000 0.242 1302 I C 2.306 178.417 176.117 -0.009 0.000 1.088 1302 I CA 1.164 62.408 61.300 -0.093 0.000 1.357 1302 I CB -0.191 37.646 38.000 -0.273 0.000 1.051 1302 I HN 0.135 nan 8.210 nan 0.000 0.409 1303 I N 0.727 121.318 120.570 0.035 0.000 2.226 1303 I HA -0.320 3.854 4.170 0.006 0.000 0.245 1303 I C 2.222 178.418 176.117 0.131 0.000 1.100 1303 I CA 1.289 62.653 61.300 0.106 0.000 1.374 1303 I CB -0.567 37.484 38.000 0.085 0.000 1.057 1303 I HN 0.326 nan 8.210 nan 0.000 0.413 1304 N N 0.488 119.259 118.700 0.118 0.000 2.084 1304 N HA -0.134 4.610 4.740 0.006 0.000 0.190 1304 N C 1.876 177.474 175.510 0.147 0.000 1.030 1304 N CA 1.938 55.089 53.050 0.168 0.000 0.849 1304 N CB -0.749 37.855 38.487 0.196 0.000 1.012 1304 N HN 0.300 nan 8.380 nan 0.000 0.423 1305 T N 0.526 115.128 114.554 0.080 0.000 2.652 1305 T HA -0.186 4.168 4.350 0.006 0.000 0.267 1305 T C 1.754 176.589 174.700 0.226 0.000 1.039 1305 T CA 1.505 63.654 62.100 0.081 0.000 1.153 1305 T CB -0.574 68.287 68.868 -0.011 0.000 0.863 1305 T HN 0.314 nan 8.240 nan 0.000 0.428 1306 H N 1.261 120.420 119.070 0.148 0.000 2.353 1306 H HA -0.078 4.482 4.556 0.006 0.000 0.298 1306 H C 2.290 177.710 175.328 0.154 0.000 1.103 1306 H CA 1.942 58.107 56.048 0.194 0.000 1.293 1306 H CB -0.824 29.076 29.762 0.230 0.000 1.372 1306 H HN 0.267 nan 8.280 nan 0.000 0.501 1307 T N 1.064 115.723 114.554 0.176 0.000 2.708 1307 T HA -0.104 4.250 4.350 0.006 0.000 0.266 1307 T C 2.501 177.287 174.700 0.143 0.000 1.037 1307 T CA 1.352 63.501 62.100 0.081 0.000 1.146 1307 T CB -0.353 68.567 68.868 0.087 0.000 0.865 1307 T HN 0.207 nan 8.240 nan 0.000 0.435 1308 L N 0.413 121.761 121.223 0.208 0.000 2.017 1308 L HA -0.048 4.295 4.340 0.006 0.000 0.208 1308 L C 2.504 179.553 176.870 0.299 0.000 1.073 1308 L CA 1.160 56.167 54.840 0.278 0.000 0.745 1308 L CB -0.598 41.596 42.059 0.224 0.000 0.894 1308 L HN 0.252 nan 8.230 nan 0.000 0.432 1309 L N -0.629 120.734 121.223 0.233 0.000 2.079 1309 L HA -0.254 4.090 4.340 0.006 0.000 0.210 1309 L C 2.471 179.458 176.870 0.196 0.000 1.081 1309 L CA 1.198 56.162 54.840 0.207 0.000 0.752 1309 L CB -0.463 41.711 42.059 0.191 0.000 0.896 1309 L HN 0.314 nan 8.230 nan 0.000 0.433 1310 L N -0.654 120.673 121.223 0.174 0.000 2.156 1310 L HA -0.161 4.183 4.340 0.006 0.000 0.208 1310 L C 1.982 178.884 176.870 0.055 0.000 1.095 1310 L CA 0.803 55.705 54.840 0.103 0.000 0.770 1310 L CB -0.464 41.609 42.059 0.024 0.000 0.914 1310 L HN 0.275 nan 8.230 nan 0.000 0.439 1311 D N -1.212 119.208 120.400 0.034 0.000 2.224 1311 D HA -0.089 4.555 4.640 0.006 0.000 0.205 1311 D C 1.320 177.434 176.300 -0.311 0.000 0.965 1311 D CA 1.130 55.038 54.000 -0.154 0.000 0.852 1311 D CB 0.084 40.736 40.800 -0.246 0.000 0.947 1311 D HN 0.431 nan 8.370 nan 0.000 0.494 1312 H N -0.227 118.896 119.070 0.088 0.000 2.567 1312 H HA 0.169 4.729 4.556 0.006 0.000 0.267 1312 H C 1.299 176.693 175.328 0.110 0.000 1.148 1312 H CA -0.150 55.956 56.048 0.097 0.000 1.031 1312 H CB 0.758 30.582 29.762 0.104 0.000 1.691 1312 H HN 0.169 nan 8.280 nan 0.000 0.588 1313 Q N 1.182 121.094 119.800 0.187 0.000 2.077 1313 Q HA -0.166 4.178 4.340 0.006 0.000 0.206 1313 Q C 0.920 177.065 176.000 0.242 0.000 0.989 1313 Q CA 1.837 57.759 55.803 0.198 0.000 0.853 1313 Q CB 0.270 29.119 28.738 0.186 0.000 0.907 1313 Q HN 0.373 nan 8.270 nan 0.000 0.418 1314 D N -0.796 119.717 120.400 0.190 0.000 2.317 1314 D HA -0.044 4.599 4.640 0.006 0.000 0.211 1314 D C 1.384 177.783 176.300 0.164 0.000 0.966 1314 D CA 0.931 55.038 54.000 0.179 0.000 0.876 1314 D CB 0.148 41.008 40.800 0.100 0.000 0.927 1314 D HN 0.387 nan 8.370 nan 0.000 0.519 1315 A N 1.061 123.983 122.820 0.170 0.000 1.975 1315 A HA 0.001 4.324 4.320 0.006 0.000 0.215 1315 A C 2.198 179.867 177.584 0.143 0.000 1.170 1315 A CA 0.301 52.431 52.037 0.154 0.000 0.656 1315 A CB -0.413 18.705 19.000 0.197 0.000 0.821 1315 A HN 0.343 nan 8.150 nan 0.000 0.449 1316 I N -4.666 116.011 120.570 0.179 0.000 3.030 1316 I HA 0.425 4.599 4.170 0.006 0.000 0.270 1316 I C 0.921 177.172 176.117 0.224 0.000 1.211 1316 I CA 0.785 62.196 61.300 0.185 0.000 1.479 1316 I CB 0.332 38.459 38.000 0.213 0.000 1.105 1316 I HN 0.143 nan 8.210 nan 0.000 0.447 1317 A N 2.581 125.526 122.820 0.208 0.000 3.082 1317 A HA 0.505 4.828 4.320 0.006 0.000 0.328 1317 A C -1.826 175.912 177.584 0.257 0.000 1.089 1317 A CA -0.960 51.193 52.037 0.193 0.000 0.802 1317 A CB -0.057 18.929 19.000 -0.023 0.000 1.138 1317 A HN 0.104 nan 8.150 nan 0.000 0.474 1318 P HA -0.165 nan 4.420 nan 0.000 0.218 1318 P C 0.210 177.611 177.300 0.168 0.000 1.148 1318 P CA 1.031 64.218 63.100 0.144 0.000 0.822 1318 P CB 0.183 31.930 31.700 0.077 0.000 0.784 1319 E N 0.457 120.755 120.200 0.162 0.000 2.299 1319 E HA -0.032 4.321 4.350 0.006 0.000 0.272 1319 E C 1.687 178.388 176.600 0.169 0.000 1.043 1319 E CA -0.162 56.315 56.400 0.129 0.000 0.895 1319 E CB 0.121 29.843 29.700 0.037 0.000 1.011 1319 E HN 0.413 nan 8.360 nan 0.000 0.432 1320 H N 3.751 122.878 119.070 0.095 0.000 2.457 1320 H HA -0.138 4.422 4.556 0.006 0.000 0.297 1320 H C 0.657 176.053 175.328 0.114 0.000 1.092 1320 H CA 1.501 57.559 56.048 0.017 0.000 1.309 1320 H CB 0.070 29.820 29.762 -0.021 0.000 1.382 1320 H HN 0.426 nan 8.280 nan 0.000 0.535 1321 N N 0.976 119.291 118.700 -0.641 0.000 2.276 1321 N HA -0.045 4.699 4.740 0.006 0.000 0.212 1321 N C -0.208 175.268 175.510 -0.056 0.000 1.127 1321 N CA -0.189 52.662 53.050 -0.332 0.000 0.834 1321 N CB -0.230 37.971 38.487 -0.477 0.000 1.014 1321 N HN 0.270 nan 8.380 nan 0.000 0.491 1322 D N 1.797 122.246 120.400 0.082 0.000 2.458 1322 D HA 0.045 4.689 4.640 0.006 0.000 0.243 1322 D C -1.359 174.923 176.300 -0.030 0.000 1.146 1322 D CA -1.317 52.689 54.000 0.011 0.000 0.877 1322 D CB 1.742 42.503 40.800 -0.065 0.000 1.176 1322 D HN 0.000 nan 8.370 nan 0.000 0.461 1323 P HA -0.148 nan 4.420 nan 0.000 0.217 1323 P C 1.677 178.928 177.300 -0.081 0.000 1.151 1323 P CA 0.707 63.796 63.100 -0.017 0.000 0.849 1323 P CB 0.160 31.866 31.700 0.010 0.000 0.787 1324 I N -1.473 118.977 120.570 -0.200 0.000 2.423 1324 I HA -0.287 3.887 4.170 0.006 0.000 0.254 1324 I C 2.065 178.048 176.117 -0.223 0.000 1.151 1324 I CA 1.402 62.510 61.300 -0.320 0.000 1.421 1324 I CB -0.223 37.404 38.000 -0.622 0.000 1.079 1324 I HN 0.061 nan 8.210 nan 0.000 0.431 1325 H N 0.198 119.248 119.070 -0.033 0.000 2.353 1325 H HA -0.223 4.337 4.556 0.006 0.000 0.300 1325 H C 2.005 177.327 175.328 -0.010 0.000 1.090 1325 H CA 1.814 57.857 56.048 -0.009 0.000 1.327 1325 H CB -0.322 29.446 29.762 0.011 0.000 1.383 1325 H HN 0.531 nan 8.280 nan 0.000 0.508 1326 E N 0.797 121.054 120.200 0.095 0.000 2.047 1326 E HA -0.097 4.257 4.350 0.006 0.000 0.191 1326 E C 2.362 178.966 176.600 0.007 0.000 0.987 1326 E CA 0.390 56.818 56.400 0.047 0.000 0.799 1326 E CB 0.060 29.779 29.700 0.032 0.000 0.752 1326 E HN 0.292 nan 8.360 nan 0.000 0.449 1327 L N 0.640 121.852 121.223 -0.018 0.000 2.013 1327 L HA -0.245 4.098 4.340 0.006 0.000 0.212 1327 L C 2.656 179.481 176.870 -0.076 0.000 1.073 1327 L CA 1.149 55.958 54.840 -0.051 0.000 0.753 1327 L CB -0.543 41.472 42.059 -0.073 0.000 0.890 1327 L HN 0.288 nan 8.230 nan 0.000 0.432 1328 L N -0.521 120.678 121.223 -0.040 0.000 2.141 1328 L HA -0.212 4.132 4.340 0.006 0.000 0.209 1328 L C 2.207 179.105 176.870 0.047 0.000 1.094 1328 L CA 1.162 56.010 54.840 0.014 0.000 0.763 1328 L CB -0.485 41.622 42.059 0.081 0.000 0.908 1328 L HN 0.298 nan 8.230 nan 0.000 0.437 1329 D N 0.264 120.688 120.400 0.040 0.000 2.078 1329 D HA -0.226 4.417 4.640 0.006 0.000 0.193 1329 D C 1.660 177.965 176.300 0.007 0.000 0.990 1329 D CA 1.521 55.543 54.000 0.036 0.000 0.827 1329 D CB 0.099 40.921 40.800 0.036 0.000 0.975 1329 D HN 0.163 nan 8.370 nan 0.000 0.451 1330 D N -0.405 119.983 120.400 -0.020 0.000 2.264 1330 D HA -0.096 4.547 4.640 0.006 0.000 0.208 1330 D C 1.869 178.122 176.300 -0.078 0.000 0.966 1330 D CA 0.169 54.143 54.000 -0.044 0.000 0.864 1330 D CB -0.117 40.650 40.800 -0.055 0.000 0.933 1330 D HN 0.223 nan 8.370 nan 0.000 0.499 1331 L N 0.067 121.225 121.223 -0.108 0.000 2.217 1331 L HA 0.093 4.436 4.340 0.006 0.000 0.211 1331 L C 1.583 178.423 176.870 -0.050 0.000 1.107 1331 L CA 1.358 56.077 54.840 -0.202 0.000 0.783 1331 L CB -0.815 41.031 42.059 -0.355 0.000 0.919 1331 L HN 0.195 nan 8.230 nan 0.000 0.442 1332 G N -0.472 108.347 108.800 0.033 0.000 2.561 1332 G HA2 -0.343 3.621 3.960 0.006 0.000 0.289 1332 G HA3 -0.343 3.621 3.960 0.006 0.000 0.289 1332 G C 0.131 175.117 174.900 0.143 0.000 1.169 1332 G CA 0.286 45.430 45.100 0.074 0.000 0.980 1332 G HN 0.407 nan 8.290 nan 0.000 0.550 1333 E N 0.158 120.420 120.200 0.103 0.000 2.354 1333 E HA 0.422 4.776 4.350 0.006 0.000 0.269 1333 E C 0.398 177.081 176.600 0.138 0.000 1.036 1333 E CA -0.449 55.998 56.400 0.079 0.000 0.876 1333 E CB 1.536 31.265 29.700 0.049 0.000 1.009 1333 E HN 0.453 nan 8.360 nan 0.000 0.416 1334 V N 5.545 125.456 119.914 -0.004 0.000 2.540 1334 V HA 0.017 4.141 4.120 0.006 0.000 0.297 1334 V C -1.436 174.745 176.094 0.145 0.000 1.024 1334 V CA -0.980 61.350 62.300 0.051 0.000 1.105 1334 V CB -0.289 31.477 31.823 -0.094 0.000 0.938 1334 V HN 0.672 nan 8.190 nan 0.000 0.482 1335 P HA 0.159 nan 4.420 nan 0.000 0.272 1335 P C -0.153 177.210 177.300 0.105 0.000 1.230 1335 P CA -0.199 63.001 63.100 0.166 0.000 0.788 1335 P CB 0.470 32.294 31.700 0.206 0.000 0.949 1336 T N 1.451 116.054 114.554 0.081 0.000 2.874 1336 T HA 0.189 4.543 4.350 0.006 0.000 0.281 1336 T C 1.767 176.502 174.700 0.058 0.000 0.994 1336 T CA -0.417 61.719 62.100 0.059 0.000 1.015 1336 T CB 0.205 69.102 68.868 0.047 0.000 1.028 1336 T HN 0.173 nan 8.240 nan 0.000 0.523 1337 I N 0.522 121.121 120.570 0.048 0.000 2.479 1337 I HA -0.171 4.003 4.170 0.006 0.000 0.258 1337 I C 0.747 176.891 176.117 0.044 0.000 1.165 1337 I CA 1.287 62.614 61.300 0.045 0.000 1.422 1337 I CB -0.929 37.093 38.000 0.037 0.000 1.087 1337 I HN 0.650 nan 8.210 nan 0.000 0.441 1338 E N -1.274 118.953 120.200 0.044 0.000 2.908 1338 E HA 0.494 4.848 4.350 0.006 0.000 0.291 1338 E C -0.499 176.128 176.600 0.045 0.000 1.154 1338 E CA -0.359 56.067 56.400 0.043 0.000 0.784 1338 E CB 0.238 29.959 29.700 0.035 0.000 1.500 1338 E HN -0.071 nan 8.360 nan 0.000 0.382 1339 S N 0.000 115.733 115.700 0.055 0.000 2.498 1339 S HA 0.000 4.474 4.470 0.006 0.000 0.327 1339 S CA 0.000 58.234 58.200 0.057 0.000 1.107 1339 S CB 0.000 63.244 63.200 0.074 0.000 0.593 1339 S HN 0.000 nan 8.310 nan 0.000 0.517