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 2gjt_1_A DATA FIRST_RESID 914 DATA SEQUENCE SMNPVQLDDF DAYIKDMAKD SDYKFSLQFE ELKLIGLDIP HFAADLPLNR DATA SEQUENCE CKNRYTNILP YDFSRVRLVS MNEEEGADYI NANYIPGYNS PQEYIATQGP DATA SEQUENCE LPETRNDFWK MVLQQKSQII VMLTQCNEKR RVKCDHYWPF TEEPIAYGDI DATA SEQUENCE TVEMISEEEQ DDWACRHFRI NYADEMQDVM HFNYTAWPDH GVPTANAAES DATA SEQUENCE ILQFVHMVRQ QATKSKGPMI IHCSAGVGRT GTFIALDRLL QHIRDHEFVD DATA SEQUENCE ILGLVSEMRS YRMSMVQTEE QYIFIHQCVQ LMWMKKKQQF CISDV 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 914 S HA 0.000 nan 4.470 nan 0.000 0.327 914 S C 0.000 174.639 174.600 0.065 0.000 1.055 914 S CA 0.000 58.228 58.200 0.048 0.000 1.107 914 S CB 0.000 63.217 63.200 0.029 0.000 0.593 915 M N 0.307 119.944 119.600 0.062 0.000 2.393 915 M HA 0.616 5.097 4.480 0.002 0.000 0.299 915 M C -1.293 175.049 176.300 0.069 0.000 1.103 915 M CA -0.488 54.854 55.300 0.071 0.000 0.910 915 M CB 2.053 34.687 32.600 0.056 0.000 1.659 915 M HN 0.148 nan 8.290 nan 0.000 0.445 916 N N 3.719 122.468 118.700 0.082 0.000 2.725 916 N HA 0.378 5.120 4.740 0.002 0.000 0.248 916 N C -3.051 172.467 175.510 0.013 0.000 1.402 916 N CA -0.989 52.096 53.050 0.058 0.000 0.766 916 N CB 1.980 40.535 38.487 0.114 0.000 1.223 916 N HN 0.478 nan 8.380 nan 0.000 0.515 917 P HA 0.141 nan 4.420 nan 0.000 0.276 917 P C -0.654 176.634 177.300 -0.020 0.000 1.230 917 P CA -0.130 63.010 63.100 0.066 0.000 0.776 917 P CB 1.569 33.328 31.700 0.097 0.000 0.888 918 V N 3.900 123.805 119.914 -0.015 0.000 2.531 918 V HA 0.187 4.309 4.120 0.002 0.000 0.301 918 V C 0.136 176.238 176.094 0.013 0.000 1.034 918 V CA -0.838 61.395 62.300 -0.111 0.000 0.865 918 V CB 1.810 33.392 31.823 -0.402 0.000 0.995 918 V HN 0.401 nan 8.190 nan 0.000 0.424 919 Q N 2.712 122.509 119.800 -0.005 0.000 2.300 919 Q HA 0.185 4.527 4.340 0.002 0.000 0.280 919 Q C 0.814 176.734 176.000 -0.133 0.000 1.033 919 Q CA -0.236 55.560 55.803 -0.012 0.000 0.903 919 Q CB 0.882 29.615 28.738 -0.009 0.000 1.195 919 Q HN 0.555 nan 8.270 nan 0.000 0.386 920 L N 2.871 123.894 121.223 -0.332 0.000 2.083 920 L HA -0.210 4.131 4.340 0.002 0.000 0.209 920 L C 1.335 177.637 176.870 -0.946 0.000 1.083 920 L CA 2.012 56.312 54.840 -0.900 0.000 0.752 920 L CB -0.861 40.351 42.059 -1.412 0.000 0.899 920 L HN 0.713 nan 8.230 nan 0.000 0.433 921 D N -2.547 117.612 120.400 -0.402 0.000 2.378 921 D HA -0.129 4.513 4.640 0.002 0.000 0.227 921 D C 0.953 177.302 176.300 0.082 0.000 1.012 921 D CA 0.566 54.603 54.000 0.062 0.000 0.905 921 D CB -0.266 40.677 40.800 0.239 0.000 0.895 921 D HN 0.272 nan 8.370 nan 0.000 0.532 922 D N -1.064 119.341 120.400 0.010 0.000 2.433 922 D HA 0.046 4.688 4.640 0.002 0.000 0.211 922 D C 0.875 177.237 176.300 0.104 0.000 1.114 922 D CA -0.222 53.814 54.000 0.060 0.000 0.837 922 D CB -0.230 40.588 40.800 0.029 0.000 0.984 922 D HN 0.173 nan 8.370 nan 0.000 0.505 923 F N 2.002 121.898 119.950 -0.090 0.000 2.234 923 F HA -0.145 4.384 4.527 0.002 0.000 0.299 923 F C 1.614 177.492 175.800 0.131 0.000 1.087 923 F CA 1.236 59.233 58.000 -0.005 0.000 1.340 923 F CB 0.349 39.242 39.000 -0.178 0.000 1.031 923 F HN -0.205 nan 8.300 nan 0.000 0.500 924 D N 0.312 120.847 120.400 0.225 0.000 2.084 924 D HA -0.158 4.483 4.640 0.002 0.000 0.196 924 D C 2.420 178.762 176.300 0.069 0.000 0.985 924 D CA 1.571 55.677 54.000 0.176 0.000 0.826 924 D CB -0.798 40.141 40.800 0.231 0.000 0.978 924 D HN 0.324 nan 8.370 nan 0.000 0.456 925 A N 0.131 122.997 122.820 0.077 0.000 1.972 925 A HA -0.223 4.098 4.320 0.002 0.000 0.219 925 A C 2.173 179.760 177.584 0.006 0.000 1.169 925 A CA 1.279 53.341 52.037 0.041 0.000 0.635 925 A CB -0.963 18.073 19.000 0.060 0.000 0.810 925 A HN 0.339 nan 8.150 nan 0.000 0.446 926 Y N 1.481 121.691 120.300 -0.149 0.000 2.145 926 Y HA -0.196 4.355 4.550 0.002 0.000 0.286 926 Y C 2.079 177.784 175.900 -0.325 0.000 1.145 926 Y CA 1.889 59.847 58.100 -0.237 0.000 1.148 926 Y CB -0.314 37.974 38.460 -0.287 0.000 0.981 926 Y HN 0.426 nan 8.280 nan 0.000 0.507 927 I N -1.844 118.474 120.570 -0.420 0.000 2.546 927 I HA -0.139 4.032 4.170 0.002 0.000 0.255 927 I C 1.989 177.935 176.117 -0.286 0.000 1.163 927 I CA 1.370 62.395 61.300 -0.458 0.000 1.457 927 I CB -0.560 37.297 38.000 -0.238 0.000 1.092 927 I HN 0.052 nan 8.210 nan 0.000 0.434 928 K N 1.136 121.434 120.400 -0.171 0.000 2.097 928 K HA -0.214 4.108 4.320 0.002 0.000 0.206 928 K C 1.738 178.248 176.600 -0.150 0.000 1.049 928 K CA 2.131 58.357 56.287 -0.102 0.000 0.933 928 K CB -0.236 32.238 32.500 -0.043 0.000 0.717 928 K HN 0.379 nan 8.250 nan 0.000 0.442 929 D N 0.206 120.475 120.400 -0.219 0.000 2.149 929 D HA -0.087 4.554 4.640 0.002 0.000 0.201 929 D C 1.796 177.878 176.300 -0.364 0.000 0.972 929 D CA 0.893 54.757 54.000 -0.226 0.000 0.835 929 D CB 0.211 40.901 40.800 -0.184 0.000 0.966 929 D HN -0.036 nan 8.370 nan 0.000 0.476 930 M N 0.206 119.406 119.600 -0.668 0.000 2.296 930 M HA 0.026 4.507 4.480 0.002 0.000 0.265 930 M C 2.077 177.950 176.300 -0.712 0.000 1.064 930 M CA 0.899 55.563 55.300 -1.058 0.000 1.109 930 M CB -0.827 30.525 32.600 -2.080 0.000 1.396 930 M HN 0.156 nan 8.290 nan 0.000 0.430 931 A N 0.712 123.347 122.820 -0.309 0.000 2.132 931 A HA -0.027 4.294 4.320 0.002 0.000 0.213 931 A C 1.131 178.723 177.584 0.013 0.000 1.154 931 A CA 0.056 52.108 52.037 0.025 0.000 0.753 931 A CB -0.338 18.709 19.000 0.079 0.000 0.826 931 A HN 0.546 nan 8.150 nan 0.000 0.469 932 K N 0.283 120.659 120.400 -0.040 0.000 2.276 932 K HA 0.173 4.494 4.320 0.002 0.000 0.259 932 K C -0.929 175.691 176.600 0.034 0.000 1.001 932 K CA 0.219 56.502 56.287 -0.006 0.000 0.927 932 K CB 0.240 32.726 32.500 -0.024 0.000 0.969 932 K HN 0.087 nan 8.250 nan 0.000 0.490 933 D N 0.994 121.413 120.400 0.032 0.000 2.716 933 D HA -0.151 4.490 4.640 0.002 0.000 0.239 933 D C -0.925 175.425 176.300 0.084 0.000 1.125 933 D CA 1.392 55.414 54.000 0.037 0.000 0.681 933 D CB -1.748 39.056 40.800 0.008 0.000 1.070 933 D HN 0.738 nan 8.370 nan 0.000 0.432 934 S N -0.150 115.592 115.700 0.070 0.000 3.706 934 S HA -0.224 4.247 4.470 0.002 0.000 0.363 934 S C 0.202 174.874 174.600 0.121 0.000 0.999 934 S CA 0.800 59.048 58.200 0.079 0.000 1.143 934 S CB -0.529 62.708 63.200 0.063 0.000 0.902 934 S HN 0.540 nan 8.310 nan 0.000 0.476 935 D N -2.219 118.265 120.400 0.141 0.000 2.835 935 D HA -0.203 4.439 4.640 0.002 0.000 0.230 935 D C 0.316 176.727 176.300 0.184 0.000 1.130 935 D CA 1.165 55.294 54.000 0.214 0.000 0.738 935 D CB -1.455 39.486 40.800 0.236 0.000 1.090 935 D HN 0.709 nan 8.370 nan 0.000 0.433 936 Y N 0.935 121.252 120.300 0.028 0.000 2.145 936 Y HA -0.171 4.380 4.550 0.002 0.000 0.286 936 Y C 2.157 178.062 175.900 0.009 0.000 1.145 936 Y CA 2.145 60.257 58.100 0.019 0.000 1.148 936 Y CB 0.095 38.552 38.460 -0.004 0.000 0.981 936 Y HN 0.044 nan 8.280 nan 0.000 0.507 937 K N -1.056 119.228 120.400 -0.194 0.000 2.148 937 K HA -0.127 4.195 4.320 0.002 0.000 0.204 937 K C 1.882 178.350 176.600 -0.220 0.000 1.050 937 K CA 1.235 57.343 56.287 -0.298 0.000 0.942 937 K CB -0.409 31.917 32.500 -0.289 0.000 0.724 937 K HN 0.210 nan 8.250 nan 0.000 0.446 938 F N 1.755 121.635 119.950 -0.117 0.000 2.091 938 F HA -0.251 4.277 4.527 0.002 0.000 0.299 938 F C 2.598 178.419 175.800 0.036 0.000 1.103 938 F CA 1.296 59.287 58.000 -0.016 0.000 1.228 938 F CB -0.834 38.130 39.000 -0.060 0.000 0.984 938 F HN -0.069 nan 8.300 nan 0.000 0.477 939 S N 0.238 116.022 115.700 0.140 0.000 2.359 939 S HA -0.184 4.287 4.470 0.002 0.000 0.224 939 S C 2.260 176.859 174.600 -0.002 0.000 1.035 939 S CA 1.065 59.306 58.200 0.069 0.000 1.018 939 S CB -0.681 62.525 63.200 0.010 0.000 0.876 939 S HN 0.299 nan 8.310 nan 0.000 0.448 940 L N 1.271 122.371 121.223 -0.204 0.000 2.017 940 L HA -0.214 4.127 4.340 0.002 0.000 0.208 940 L C 2.700 179.532 176.870 -0.064 0.000 1.073 940 L CA 1.512 56.225 54.840 -0.211 0.000 0.745 940 L CB -0.449 41.383 42.059 -0.379 0.000 0.894 940 L HN 0.421 nan 8.230 nan 0.000 0.432 941 Q N -1.243 118.563 119.800 0.010 0.000 2.084 941 Q HA -0.269 4.073 4.340 0.002 0.000 0.202 941 Q C 2.071 178.057 176.000 -0.024 0.000 0.978 941 Q CA 1.879 57.717 55.803 0.059 0.000 0.844 941 Q CB -0.186 28.698 28.738 0.243 0.000 0.898 941 Q HN 0.393 nan 8.270 nan 0.000 0.426 942 F N 1.757 121.606 119.950 -0.169 0.000 2.216 942 F HA -0.174 4.355 4.527 0.002 0.000 0.300 942 F C 2.062 177.776 175.800 -0.143 0.000 1.085 942 F CA 1.180 59.026 58.000 -0.257 0.000 1.326 942 F CB 0.145 39.039 39.000 -0.177 0.000 1.027 942 F HN 0.022 nan 8.300 nan 0.000 0.497 943 E N 0.173 120.344 120.200 -0.048 0.000 2.150 943 E HA -0.187 4.164 4.350 0.002 0.000 0.193 943 E C 2.118 178.640 176.600 -0.130 0.000 0.985 943 E CA 1.044 57.390 56.400 -0.090 0.000 0.814 943 E CB -0.346 29.339 29.700 -0.025 0.000 0.752 943 E HN 0.597 nan 8.360 nan 0.000 0.466 944 E N 0.704 120.836 120.200 -0.114 0.000 2.058 944 E HA -0.156 4.195 4.350 0.002 0.000 0.194 944 E C 2.327 178.839 176.600 -0.146 0.000 0.997 944 E CA 0.752 57.093 56.400 -0.098 0.000 0.801 944 E CB -0.129 29.534 29.700 -0.061 0.000 0.746 944 E HN 0.196 nan 8.360 nan 0.000 0.450 945 L N 0.823 121.901 121.223 -0.241 0.000 2.083 945 L HA -0.210 4.132 4.340 0.002 0.000 0.209 945 L C 2.351 179.039 176.870 -0.304 0.000 1.083 945 L CA 1.199 55.863 54.840 -0.292 0.000 0.752 945 L CB -0.255 41.533 42.059 -0.453 0.000 0.899 945 L HN 0.033 nan 8.230 nan 0.000 0.433 946 K N 0.010 120.180 120.400 -0.383 0.000 2.218 946 K HA -0.171 4.150 4.320 0.002 0.000 0.205 946 K C 1.890 178.408 176.600 -0.135 0.000 1.046 946 K CA 1.153 57.274 56.287 -0.276 0.000 0.933 946 K CB -0.142 32.215 32.500 -0.238 0.000 0.728 946 K HN 0.314 nan 8.250 nan 0.000 0.454 947 L N 0.553 121.709 121.223 -0.112 0.000 2.341 947 L HA 0.074 4.415 4.340 0.002 0.000 0.214 947 L C 0.721 177.565 176.870 -0.044 0.000 1.115 947 L CA -0.119 54.683 54.840 -0.063 0.000 0.820 947 L CB -0.106 41.919 42.059 -0.056 0.000 0.944 947 L HN 0.074 nan 8.230 nan 0.000 0.452 948 I N 1.031 121.572 120.570 -0.048 0.000 2.668 948 I HA 0.029 4.200 4.170 0.002 0.000 0.285 948 I C 1.374 177.510 176.117 0.032 0.000 1.168 948 I CA 0.883 62.173 61.300 -0.017 0.000 1.424 948 I CB 0.356 38.353 38.000 -0.005 0.000 1.377 948 I HN 0.323 nan 8.210 nan 0.000 0.560 949 G N 4.785 113.579 108.800 -0.011 0.000 2.157 949 G HA2 -0.262 3.700 3.960 0.002 0.000 0.248 949 G HA3 -0.262 3.700 3.960 0.002 0.000 0.248 949 G C 0.748 175.660 174.900 0.020 0.000 0.979 949 G CA 0.117 45.193 45.100 -0.039 0.000 0.650 949 G HN 0.598 nan 8.290 nan 0.000 0.529 950 L N -0.120 121.111 121.223 0.014 0.000 2.131 950 L HA 0.045 4.387 4.340 0.002 0.000 0.210 950 L C 1.543 178.409 176.870 -0.006 0.000 1.092 950 L CA 1.676 56.535 54.840 0.030 0.000 0.759 950 L CB -0.167 41.896 42.059 0.007 0.000 0.903 950 L HN 0.200 nan 8.230 nan 0.000 0.435 951 D N -0.087 120.274 120.400 -0.065 0.000 2.501 951 D HA 0.265 4.906 4.640 0.002 0.000 0.226 951 D C 0.402 176.612 176.300 -0.151 0.000 1.198 951 D CA 0.069 54.013 54.000 -0.094 0.000 0.830 951 D CB 0.849 41.602 40.800 -0.078 0.000 1.014 951 D HN 0.247 nan 8.370 nan 0.000 0.496 952 I N 2.900 123.346 120.570 -0.206 0.000 2.352 952 I HA 0.136 4.308 4.170 0.002 0.000 0.290 952 I C -2.061 173.954 176.117 -0.170 0.000 1.036 952 I CA -1.712 59.409 61.300 -0.299 0.000 1.336 952 I CB 0.858 38.410 38.000 -0.748 0.000 1.407 952 I HN -0.349 nan 8.210 nan 0.000 0.497 953 P HA 0.066 nan 4.420 nan 0.000 0.269 953 P C -0.798 176.439 177.300 -0.106 0.000 1.209 953 P CA 0.113 63.017 63.100 -0.326 0.000 0.776 953 P CB 0.257 31.835 31.700 -0.204 0.000 0.876 954 H N -0.934 118.027 119.070 -0.182 0.000 2.779 954 H HA 0.393 4.950 4.556 0.001 0.000 0.230 954 H C 0.251 175.533 175.328 -0.076 0.000 1.365 954 H CA -0.536 55.498 56.048 -0.025 0.000 1.086 954 H CB -1.261 28.530 29.762 0.048 0.000 2.038 954 H HN 0.066 nan 8.280 nan 0.000 0.558 955 F N 1.400 121.400 119.950 0.083 0.000 2.126 955 F HA -0.142 4.386 4.527 0.001 0.000 0.299 955 F C 2.578 178.418 175.800 0.066 0.000 1.096 955 F CA 1.654 59.688 58.000 0.055 0.000 1.255 955 F CB -0.545 38.469 39.000 0.024 0.000 0.997 955 F HN 0.599 nan 8.300 nan 0.000 0.479 956 A N 0.009 122.981 122.820 0.254 0.000 1.902 956 A HA -0.047 4.274 4.320 0.002 0.000 0.217 956 A C 2.433 179.975 177.584 -0.070 0.000 1.181 956 A CA 1.667 53.783 52.037 0.133 0.000 0.623 956 A CB -1.342 17.791 19.000 0.222 0.000 0.818 956 A HN 0.299 nan 8.150 nan 0.000 0.443 957 A N -0.199 122.639 122.820 0.031 0.000 1.978 957 A HA -0.192 4.130 4.320 0.002 0.000 0.220 957 A C 1.507 179.013 177.584 -0.130 0.000 1.170 957 A CA 1.830 53.802 52.037 -0.108 0.000 0.636 957 A CB -0.428 18.634 19.000 0.103 0.000 0.810 957 A HN 0.489 nan 8.150 nan 0.000 0.448 958 D N -0.634 119.775 120.400 0.015 0.000 2.339 958 D HA 0.175 4.816 4.640 0.002 0.000 0.217 958 D C 0.255 176.554 176.300 -0.003 0.000 1.050 958 D CA -0.025 53.996 54.000 0.034 0.000 0.856 958 D CB -0.015 40.865 40.800 0.134 0.000 0.922 958 D HN 0.383 nan 8.370 nan 0.000 0.518 959 L N 1.468 122.658 121.223 -0.055 0.000 2.485 959 L HA 0.025 4.367 4.340 0.002 0.000 0.275 959 L C -1.010 175.822 176.870 -0.065 0.000 1.207 959 L CA -1.187 53.624 54.840 -0.047 0.000 0.855 959 L CB 0.396 42.417 42.059 -0.062 0.000 1.114 959 L HN -0.234 nan 8.230 nan 0.000 0.485 960 P HA -0.225 nan 4.420 nan 0.000 0.215 960 P C 1.490 178.766 177.300 -0.040 0.000 1.163 960 P CA 1.192 64.275 63.100 -0.028 0.000 0.894 960 P CB 0.145 31.837 31.700 -0.013 0.000 0.791 961 L N -1.250 119.948 121.223 -0.041 0.000 2.353 961 L HA -0.091 4.250 4.340 0.002 0.000 0.220 961 L C 1.525 178.361 176.870 -0.057 0.000 1.133 961 L CA 1.694 56.514 54.840 -0.035 0.000 0.798 961 L CB -1.274 40.775 42.059 -0.017 0.000 0.922 961 L HN -0.001 nan 8.230 nan 0.000 0.445 962 N N -1.290 117.333 118.700 -0.127 0.000 2.353 962 N HA 0.009 4.750 4.740 0.002 0.000 0.185 962 N C 1.668 177.082 175.510 -0.160 0.000 1.098 962 N CA 0.048 52.964 53.050 -0.225 0.000 0.872 962 N CB 0.111 38.223 38.487 -0.625 0.000 0.970 962 N HN 0.124 nan 8.380 nan 0.000 0.467 963 R N 0.666 121.107 120.500 -0.098 0.000 2.091 963 R HA -0.056 4.285 4.340 0.002 0.000 0.238 963 R C 2.106 178.386 176.300 -0.033 0.000 1.136 963 R CA 0.978 57.043 56.100 -0.058 0.000 0.959 963 R CB -1.514 28.764 30.300 -0.037 0.000 0.856 963 R HN 0.450 nan 8.270 nan 0.000 0.437 964 C N 0.057 119.343 119.300 -0.024 0.000 2.522 964 C HA 0.234 4.695 4.460 0.002 0.000 0.271 964 C C 1.535 176.527 174.990 0.004 0.000 1.425 964 C CA -0.419 58.592 59.018 -0.012 0.000 1.751 964 C CB -0.566 27.170 27.740 -0.007 0.000 1.775 964 C HN 0.243 nan 8.230 nan 0.000 0.557 965 K N 1.076 121.496 120.400 0.032 0.000 2.404 965 K HA 0.158 4.480 4.320 0.002 0.000 0.194 965 K C -0.402 176.265 176.600 0.110 0.000 1.023 965 K CA 0.099 56.446 56.287 0.098 0.000 1.094 965 K CB 0.034 32.672 32.500 0.230 0.000 0.841 965 K HN 0.508 nan 8.250 nan 0.000 0.523 966 N N 1.123 119.858 118.700 0.058 0.000 2.392 966 N HA 0.119 4.860 4.740 0.002 0.000 0.283 966 N C 0.263 175.739 175.510 -0.056 0.000 1.003 966 N CA -0.181 52.891 53.050 0.036 0.000 0.892 966 N CB 1.876 40.389 38.487 0.044 0.000 1.193 966 N HN -0.002 nan 8.380 nan 0.000 0.487 967 R N 1.924 122.351 120.500 -0.122 0.000 2.073 967 R HA 0.000 4.342 4.340 0.002 0.000 0.229 967 R C -0.313 175.682 176.300 -0.508 0.000 1.120 967 R CA 1.405 57.306 56.100 -0.331 0.000 0.967 967 R CB 0.153 30.206 30.300 -0.411 0.000 0.862 967 R HN 0.498 nan 8.270 nan 0.000 0.436 968 Y N -0.823 119.463 120.300 -0.024 0.000 2.429 968 Y HA 0.166 4.718 4.550 0.003 0.000 0.342 968 Y C 1.324 177.204 175.900 -0.034 0.000 1.004 968 Y CA -0.600 57.484 58.100 -0.027 0.000 1.075 968 Y CB 2.069 40.510 38.460 -0.032 0.000 1.214 968 Y HN 0.023 nan 8.280 nan 0.000 0.455 969 T N -2.763 111.869 114.554 0.129 0.000 2.995 969 T HA -0.125 4.227 4.350 0.002 0.000 0.269 969 T C 0.581 175.294 174.700 0.021 0.000 1.091 969 T CA 1.493 63.624 62.100 0.052 0.000 1.128 969 T CB -0.274 68.617 68.868 0.039 0.000 0.891 969 T HN 0.669 nan 8.240 nan 0.000 0.492 970 N N 0.470 119.192 118.700 0.037 0.000 2.235 970 N HA 0.211 4.953 4.740 0.002 0.000 0.231 970 N C -0.578 174.895 175.510 -0.062 0.000 1.177 970 N CA -0.462 52.571 53.050 -0.028 0.000 0.874 970 N CB 0.288 38.763 38.487 -0.020 0.000 1.097 970 N HN 0.324 nan 8.380 nan 0.000 0.518 971 I N 1.897 122.453 120.570 -0.023 0.000 2.428 971 I HA 0.368 4.540 4.170 0.002 0.000 0.279 971 I C -0.677 175.397 176.117 -0.070 0.000 1.040 971 I CA -0.552 60.715 61.300 -0.056 0.000 1.171 971 I CB 0.555 38.557 38.000 0.003 0.000 1.312 971 I HN 0.049 nan 8.210 nan 0.000 0.470 972 L N 7.523 128.638 121.223 -0.181 0.000 2.346 972 L HA 0.567 4.908 4.340 0.002 0.000 0.276 972 L C -2.296 174.451 176.870 -0.205 0.000 1.006 972 L CA -1.838 52.890 54.840 -0.187 0.000 0.817 972 L CB 2.479 44.296 42.059 -0.403 0.000 1.272 972 L HN 0.250 nan 8.230 nan 0.000 0.421 973 P HA 0.059 nan 4.420 nan 0.000 0.276 973 P C -1.095 176.222 177.300 0.028 0.000 1.235 973 P CA -0.229 62.804 63.100 -0.111 0.000 0.772 973 P CB 0.320 31.978 31.700 -0.070 0.000 0.871 974 Y N 1.441 121.778 120.300 0.061 0.000 2.702 974 Y HA -0.072 4.479 4.550 0.002 0.000 0.336 974 Y C 1.969 177.914 175.900 0.074 0.000 1.235 974 Y CA 0.419 58.588 58.100 0.115 0.000 1.492 974 Y CB -0.499 38.044 38.460 0.138 0.000 1.308 974 Y HN 0.407 nan 8.280 nan 0.000 0.589 975 D N 1.918 122.512 120.400 0.322 0.000 2.123 975 D HA -0.226 4.416 4.640 0.002 0.000 0.196 975 D C 2.021 178.445 176.300 0.208 0.000 0.992 975 D CA 1.707 55.857 54.000 0.249 0.000 0.833 975 D CB -0.312 40.648 40.800 0.266 0.000 0.954 975 D HN 0.686 nan 8.370 nan 0.000 0.455 976 F N 1.196 121.245 119.950 0.164 0.000 2.259 976 F HA -0.030 4.499 4.527 0.002 0.000 0.298 976 F C 1.895 177.806 175.800 0.185 0.000 1.088 976 F CA 1.333 59.411 58.000 0.129 0.000 1.358 976 F CB -0.464 38.566 39.000 0.050 0.000 1.040 976 F HN -0.094 nan 8.300 nan 0.000 0.505 977 S N 0.629 115.864 115.700 -0.775 0.000 2.629 977 S HA 0.241 4.713 4.470 0.002 0.000 0.236 977 S C 0.624 175.156 174.600 -0.113 0.000 1.010 977 S CA -0.850 57.066 58.200 -0.473 0.000 0.981 977 S CB -0.513 62.217 63.200 -0.782 0.000 0.919 977 S HN 0.563 nan 8.310 nan 0.000 0.514 978 R N 1.005 121.448 120.500 -0.095 0.000 2.594 978 R HA 0.494 4.835 4.340 0.002 0.000 0.272 978 R C -0.737 175.462 176.300 -0.169 0.000 1.074 978 R CA -0.550 55.474 56.100 -0.126 0.000 1.105 978 R CB 0.296 30.567 30.300 -0.047 0.000 1.008 978 R HN 0.035 nan 8.270 nan 0.000 0.472 979 V N 3.614 123.314 119.914 -0.357 0.000 2.530 979 V HA 0.215 4.337 4.120 0.002 0.000 0.282 979 V C 0.678 176.654 176.094 -0.197 0.000 1.048 979 V CA -0.331 61.728 62.300 -0.401 0.000 0.997 979 V CB 0.810 32.279 31.823 -0.590 0.000 0.987 979 V HN 0.716 nan 8.190 nan 0.000 0.477 980 R N 4.309 124.767 120.500 -0.070 0.000 2.474 980 R HA 0.651 4.992 4.340 0.002 0.000 0.295 980 R C -0.925 175.349 176.300 -0.043 0.000 0.980 980 R CA -0.687 55.392 56.100 -0.034 0.000 0.934 980 R CB 1.390 31.710 30.300 0.033 0.000 1.101 980 R HN 0.574 nan 8.270 nan 0.000 0.469 981 L N 2.138 123.333 121.223 -0.046 0.000 2.357 981 L HA 0.359 4.700 4.340 0.002 0.000 0.273 981 L C 0.106 176.967 176.870 -0.014 0.000 1.080 981 L CA -1.121 53.692 54.840 -0.044 0.000 0.803 981 L CB 1.348 43.376 42.059 -0.052 0.000 1.174 981 L HN 0.263 nan 8.230 nan 0.000 0.443 982 V N 1.447 121.349 119.914 -0.020 0.000 2.673 982 V HA -0.014 4.107 4.120 0.002 0.000 0.303 982 V C 0.554 176.647 176.094 -0.002 0.000 1.046 982 V CA 0.270 62.565 62.300 -0.007 0.000 1.126 982 V CB 1.174 32.987 31.823 -0.016 0.000 0.934 982 V HN 0.780 nan 8.190 nan 0.000 0.487 983 S N 5.344 121.052 115.700 0.012 0.000 2.474 983 S HA 0.392 4.863 4.470 0.002 0.000 0.321 983 S C 0.812 175.425 174.600 0.021 0.000 1.080 983 S CA -0.841 57.371 58.200 0.020 0.000 1.106 983 S CB 0.812 64.029 63.200 0.029 0.000 0.984 983 S HN 0.611 nan 8.310 nan 0.000 0.464 984 M N 3.030 122.642 119.600 0.020 0.000 2.476 984 M HA 0.165 4.646 4.480 0.002 0.000 0.262 984 M C 0.468 176.783 176.300 0.025 0.000 1.079 984 M CA 0.712 56.027 55.300 0.024 0.000 1.104 984 M CB -1.231 31.385 32.600 0.027 0.000 1.409 984 M HN 0.456 nan 8.290 nan 0.000 0.467 985 N N -0.526 118.189 118.700 0.025 0.000 2.531 985 N HA 0.151 4.892 4.740 0.002 0.000 0.290 985 N C 0.398 175.922 175.510 0.024 0.000 1.257 985 N CA -0.147 52.918 53.050 0.024 0.000 0.863 985 N CB 1.528 40.030 38.487 0.024 0.000 1.320 985 N HN -0.187 nan 8.380 nan 0.000 0.538 986 E N -1.288 118.925 120.200 0.021 0.000 2.474 986 E HA -0.022 4.329 4.350 0.002 0.000 0.195 986 E C -0.131 176.481 176.600 0.020 0.000 1.039 986 E CA -0.157 56.255 56.400 0.020 0.000 0.881 986 E CB 0.075 29.785 29.700 0.017 0.000 0.970 986 E HN 0.523 nan 8.360 nan 0.000 0.486 987 E N 1.602 121.814 120.200 0.021 0.000 2.653 987 E HA -0.163 4.189 4.350 0.002 0.000 0.264 987 E C -0.032 176.581 176.600 0.023 0.000 0.949 987 E CA 0.060 56.472 56.400 0.020 0.000 0.953 987 E CB 0.352 30.065 29.700 0.022 0.000 0.925 987 E HN 0.575 nan 8.360 nan 0.000 0.475 988 E N 2.699 122.909 120.200 0.017 0.000 2.376 988 E HA 0.261 4.612 4.350 0.002 0.000 0.266 988 E C 1.074 177.686 176.600 0.019 0.000 1.009 988 E CA 0.631 57.040 56.400 0.015 0.000 0.902 988 E CB 0.047 29.750 29.700 0.005 0.000 0.972 988 E HN 1.028 nan 8.360 nan 0.000 0.439 989 G N 3.118 111.936 108.800 0.030 0.000 2.168 989 G HA2 -0.404 3.557 3.960 0.002 0.000 0.263 989 G HA3 -0.404 3.557 3.960 0.002 0.000 0.263 989 G C 0.946 175.903 174.900 0.096 0.000 0.977 989 G CA 0.647 45.778 45.100 0.052 0.000 0.659 989 G HN 0.832 nan 8.290 nan 0.000 0.533 990 A N 1.168 124.029 122.820 0.069 0.000 1.927 990 A HA -0.038 4.284 4.320 0.002 0.000 0.220 990 A C 2.037 179.664 177.584 0.072 0.000 1.185 990 A CA 2.478 54.552 52.037 0.062 0.000 0.639 990 A CB -0.416 18.610 19.000 0.043 0.000 0.820 990 A HN 1.097 nan 8.150 nan 0.000 0.451 991 D N -2.777 117.674 120.400 0.085 0.000 2.340 991 D HA 0.001 4.642 4.640 0.002 0.000 0.220 991 D C 0.277 176.623 176.300 0.076 0.000 1.039 991 D CA -0.230 53.810 54.000 0.067 0.000 0.866 991 D CB -0.552 40.287 40.800 0.065 0.000 0.913 991 D HN 0.470 nan 8.370 nan 0.000 0.523 992 Y N 0.748 121.045 120.300 -0.006 0.000 2.316 992 Y HA 0.484 5.036 4.550 0.005 0.000 0.331 992 Y C -0.578 175.304 175.900 -0.031 0.000 1.083 992 Y CA -0.869 57.224 58.100 -0.012 0.000 1.206 992 Y CB 0.603 39.064 38.460 0.000 0.000 1.195 992 Y HN -0.040 nan 8.280 nan 0.000 0.497 993 I N 5.830 125.896 120.570 -0.840 0.000 2.802 993 I HA 0.266 4.438 4.170 0.002 0.000 0.298 993 I C -1.238 174.295 176.117 -0.975 0.000 1.176 993 I CA -0.931 59.934 61.300 -0.726 0.000 1.025 993 I CB 1.765 39.554 38.000 -0.352 0.000 1.243 993 I HN 0.632 nan 8.210 nan 0.000 0.424 994 N N 6.060 124.406 118.700 -0.589 0.000 2.739 994 N HA 0.490 5.231 4.740 0.002 0.000 0.266 994 N C -1.277 174.082 175.510 -0.252 0.000 1.168 994 N CA 0.187 53.033 53.050 -0.339 0.000 1.055 994 N CB 0.314 38.745 38.487 -0.092 0.000 1.393 994 N HN 0.648 nan 8.380 nan 0.000 0.514 995 A N 2.861 125.505 122.820 -0.293 0.000 2.547 995 A HA 0.593 4.914 4.320 0.002 0.000 0.297 995 A C -1.209 176.212 177.584 -0.273 0.000 1.056 995 A CA -0.882 51.003 52.037 -0.254 0.000 0.688 995 A CB 1.054 19.881 19.000 -0.289 0.000 1.282 995 A HN 0.590 nan 8.150 nan 0.000 0.400 996 N N -0.051 118.514 118.700 -0.225 0.000 2.229 996 N HA 0.604 5.345 4.740 0.002 0.000 0.298 996 N C -1.537 173.870 175.510 -0.171 0.000 1.114 996 N CA -0.466 52.461 53.050 -0.205 0.000 0.776 996 N CB 1.122 39.547 38.487 -0.103 0.000 1.501 996 N HN 0.564 nan 8.380 nan 0.000 0.474 997 Y N 1.065 121.359 120.300 -0.011 0.000 2.425 997 Y HA 0.287 4.839 4.550 0.003 0.000 0.331 997 Y C 0.212 176.130 175.900 0.030 0.000 1.157 997 Y CA -0.064 58.045 58.100 0.015 0.000 1.372 997 Y CB 0.462 38.928 38.460 0.010 0.000 1.253 997 Y HN 0.202 nan 8.280 nan 0.000 0.536 998 I N 4.881 125.560 120.570 0.182 0.000 2.498 998 I HA 0.337 4.509 4.170 0.002 0.000 0.290 998 I C -2.621 173.487 176.117 -0.015 0.000 1.032 998 I CA -2.997 58.319 61.300 0.026 0.000 1.073 998 I CB 1.729 39.798 38.000 0.115 0.000 1.251 998 I HN 0.317 nan 8.210 nan 0.000 0.426 999 P HA 0.280 nan 4.420 nan 0.000 0.270 999 P C 0.140 177.505 177.300 0.108 0.000 1.223 999 P CA 0.087 63.105 63.100 -0.136 0.000 0.785 999 P CB 0.894 32.447 31.700 -0.245 0.000 0.923 1000 G N -0.452 108.399 108.800 0.086 0.000 3.251 1000 G HA2 0.175 4.136 3.960 0.002 0.000 0.248 1000 G HA3 0.175 4.136 3.960 0.002 0.000 0.248 1000 G C -0.388 174.600 174.900 0.146 0.000 1.320 1000 G CA -0.272 44.958 45.100 0.215 0.000 0.982 1000 G HN 0.376 nan 8.290 nan 0.000 0.575 1001 Y N 0.337 120.670 120.300 0.055 0.000 2.293 1001 Y HA -0.035 4.517 4.550 0.002 0.000 0.291 1001 Y C 2.276 178.179 175.900 0.005 0.000 1.137 1001 Y CA 2.201 60.322 58.100 0.036 0.000 1.202 1001 Y CB 0.345 38.827 38.460 0.035 0.000 0.990 1001 Y HN 0.362 nan 8.280 nan 0.000 0.537 1002 N N -1.239 117.462 118.700 0.001 0.000 2.397 1002 N HA 0.084 4.825 4.740 0.002 0.000 0.190 1002 N C -0.082 175.375 175.510 -0.089 0.000 1.099 1002 N CA 0.918 53.925 53.050 -0.072 0.000 0.876 1002 N CB 0.484 38.962 38.487 -0.016 0.000 1.143 1002 N HN 0.235 nan 8.380 nan 0.000 0.468 1003 S N -0.421 115.225 115.700 -0.089 0.000 2.579 1003 S HA 0.480 4.951 4.470 0.002 0.000 0.272 1003 S C -2.700 171.847 174.600 -0.088 0.000 1.141 1003 S CA -1.009 57.137 58.200 -0.089 0.000 0.843 1003 S CB 2.652 65.796 63.200 -0.093 0.000 1.122 1003 S HN -0.294 nan 8.310 nan 0.000 0.468 1004 P HA 0.100 nan 4.420 nan 0.000 0.229 1004 P C 0.167 177.403 177.300 -0.108 0.000 1.160 1004 P CA 0.942 63.991 63.100 -0.085 0.000 0.777 1004 P CB 0.016 31.684 31.700 -0.053 0.000 0.814 1005 Q N -0.919 118.814 119.800 -0.112 0.000 2.217 1005 Q HA 0.124 4.465 4.340 0.002 0.000 0.340 1005 Q C 0.920 176.890 176.000 -0.051 0.000 0.893 1005 Q CA -0.118 55.630 55.803 -0.092 0.000 1.142 1005 Q CB 0.417 28.990 28.738 -0.276 0.000 1.288 1005 Q HN 0.240 nan 8.270 nan 0.000 0.426 1006 E N 0.041 120.169 120.200 -0.120 0.000 2.110 1006 E HA -0.119 4.233 4.350 0.002 0.000 0.193 1006 E C -0.452 175.912 176.600 -0.393 0.000 0.988 1006 E CA 1.178 57.391 56.400 -0.313 0.000 0.804 1006 E CB 0.424 29.818 29.700 -0.510 0.000 0.745 1006 E HN 0.258 nan 8.360 nan 0.000 0.458 1007 Y N -0.947 119.390 120.300 0.062 0.000 2.598 1007 Y HA 0.507 5.058 4.550 0.002 0.000 0.340 1007 Y C -0.269 175.681 175.900 0.084 0.000 1.038 1007 Y CA -1.024 57.119 58.100 0.071 0.000 1.100 1007 Y CB 1.356 39.857 38.460 0.069 0.000 1.281 1007 Y HN -0.184 nan 8.280 nan 0.000 0.488 1008 I N 1.803 122.497 120.570 0.206 0.000 2.418 1008 I HA 0.587 4.759 4.170 0.002 0.000 0.287 1008 I C -0.706 175.434 176.117 0.039 0.000 1.008 1008 I CA -0.844 60.479 61.300 0.039 0.000 1.104 1008 I CB 1.545 39.489 38.000 -0.093 0.000 1.264 1008 I HN 0.707 nan 8.210 nan 0.000 0.438 1009 A N 4.503 127.325 122.820 0.003 0.000 2.274 1009 A HA 0.784 5.106 4.320 0.002 0.000 0.309 1009 A C -0.234 177.323 177.584 -0.044 0.000 1.226 1009 A CA -0.284 51.748 52.037 -0.007 0.000 0.853 1009 A CB 1.205 20.197 19.000 -0.014 0.000 1.146 1009 A HN 0.628 nan 8.150 nan 0.000 0.518 1010 T N 0.930 115.477 114.554 -0.013 0.000 2.864 1010 T HA 0.481 4.832 4.350 0.002 0.000 0.299 1010 T C -0.405 174.284 174.700 -0.017 0.000 1.166 1010 T CA -0.562 61.512 62.100 -0.043 0.000 1.007 1010 T CB 1.172 70.014 68.868 -0.044 0.000 1.219 1010 T HN 0.913 nan 8.240 nan 0.000 0.506 1011 Q N 1.413 121.177 119.800 -0.061 0.000 2.443 1011 Q HA 0.498 4.839 4.340 0.002 0.000 0.232 1011 Q C 0.560 176.441 176.000 -0.197 0.000 1.026 1011 Q CA -0.615 55.153 55.803 -0.059 0.000 0.924 1011 Q CB 0.096 28.807 28.738 -0.046 0.000 1.256 1011 Q HN 0.764 nan 8.270 nan 0.000 0.519 1012 G N 2.136 110.829 108.800 -0.178 0.000 2.343 1012 G HA2 0.276 4.238 3.960 0.002 0.000 0.254 1012 G HA3 0.276 4.238 3.960 0.002 0.000 0.254 1012 G C -2.353 172.298 174.900 -0.416 0.000 1.277 1012 G CA -0.983 43.874 45.100 -0.404 0.000 0.909 1012 G HN 0.487 nan 8.290 nan 0.000 0.502 1013 P HA 0.020 nan 4.420 nan 0.000 0.264 1013 P C 0.076 177.230 177.300 -0.244 0.000 1.179 1013 P CA 0.179 62.978 63.100 -0.502 0.000 0.763 1013 P CB 0.600 31.788 31.700 -0.853 0.000 0.806 1014 L N 5.939 127.068 121.223 -0.157 0.000 2.416 1014 L HA 0.314 4.656 4.340 0.002 0.000 0.262 1014 L C -1.167 175.681 176.870 -0.037 0.000 1.093 1014 L CA -1.872 52.917 54.840 -0.085 0.000 0.801 1014 L CB 0.480 42.494 42.059 -0.074 0.000 1.191 1014 L HN 0.296 nan 8.230 nan 0.000 0.459 1015 P HA -0.200 nan 4.420 nan 0.000 0.216 1015 P C 0.802 178.127 177.300 0.042 0.000 1.157 1015 P CA 1.321 64.444 63.100 0.037 0.000 0.880 1015 P CB 0.167 31.888 31.700 0.035 0.000 0.791 1016 E N -1.276 118.937 120.200 0.021 0.000 2.338 1016 E HA -0.099 4.252 4.350 0.002 0.000 0.197 1016 E C 1.495 178.113 176.600 0.029 0.000 1.007 1016 E CA 1.617 58.033 56.400 0.027 0.000 0.849 1016 E CB -1.054 28.655 29.700 0.015 0.000 0.774 1016 E HN 0.407 nan 8.360 nan 0.000 0.506 1017 T N -2.194 112.364 114.554 0.007 0.000 3.084 1017 T HA 0.151 4.503 4.350 0.002 0.000 0.270 1017 T C 1.496 176.196 174.700 -0.000 0.000 1.008 1017 T CA -0.284 61.817 62.100 0.001 0.000 0.900 1017 T CB 0.049 68.898 68.868 -0.031 0.000 1.084 1017 T HN 0.196 nan 8.240 nan 0.000 0.538 1018 R N 1.783 122.295 120.500 0.020 0.000 2.096 1018 R HA -0.041 4.301 4.340 0.002 0.000 0.235 1018 R C 1.643 178.047 176.300 0.173 0.000 1.127 1018 R CA 1.637 57.753 56.100 0.026 0.000 0.968 1018 R CB -0.769 29.595 30.300 0.106 0.000 0.861 1018 R HN 0.203 nan 8.270 nan 0.000 0.440 1019 N N 1.182 120.011 118.700 0.215 0.000 2.120 1019 N HA -0.151 4.590 4.740 0.002 0.000 0.188 1019 N C 1.150 176.756 175.510 0.159 0.000 1.024 1019 N CA 1.702 54.902 53.050 0.251 0.000 0.852 1019 N CB -0.472 38.130 38.487 0.191 0.000 1.003 1019 N HN 0.331 nan 8.380 nan 0.000 0.424 1020 D N 0.078 120.525 120.400 0.078 0.000 2.117 1020 D HA -0.128 4.514 4.640 0.002 0.000 0.197 1020 D C 1.743 178.013 176.300 -0.050 0.000 0.987 1020 D CA 0.468 54.473 54.000 0.008 0.000 0.829 1020 D CB -0.453 40.341 40.800 -0.010 0.000 0.961 1020 D HN 0.213 nan 8.370 nan 0.000 0.460 1021 F N 0.021 119.834 119.950 -0.228 0.000 2.095 1021 F HA -0.202 4.326 4.527 0.001 0.000 0.298 1021 F C 2.059 177.627 175.800 -0.386 0.000 1.104 1021 F CA 1.596 59.349 58.000 -0.411 0.000 1.232 1021 F CB -0.494 38.098 39.000 -0.681 0.000 0.987 1021 F HN -0.031 nan 8.300 nan 0.000 0.475 1022 W N 1.003 122.251 121.300 -0.087 0.000 2.363 1022 W HA -0.117 4.544 4.660 0.001 0.000 0.296 1022 W C 2.474 178.886 176.519 -0.178 0.000 1.212 1022 W CA 1.280 58.541 57.345 -0.141 0.000 1.260 1022 W CB -0.375 29.078 29.460 -0.011 0.000 1.131 1022 W HN -0.106 nan 8.180 nan 0.000 0.530 1023 K N -0.015 120.420 120.400 0.058 0.000 2.020 1023 K HA -0.283 4.039 4.320 0.002 0.000 0.212 1023 K C 2.052 178.583 176.600 -0.116 0.000 1.050 1023 K CA 2.106 58.368 56.287 -0.042 0.000 0.929 1023 K CB -0.660 31.805 32.500 -0.060 0.000 0.714 1023 K HN 0.174 nan 8.250 nan 0.000 0.443 1024 M N 0.944 120.418 119.600 -0.210 0.000 2.073 1024 M HA -0.235 4.246 4.480 0.002 0.000 0.258 1024 M C 1.993 178.138 176.300 -0.259 0.000 1.070 1024 M CA 1.708 56.850 55.300 -0.264 0.000 1.103 1024 M CB -0.141 32.226 32.600 -0.389 0.000 1.321 1024 M HN -0.017 nan 8.290 nan 0.000 0.405 1025 V N 0.723 120.415 119.914 -0.369 0.000 2.282 1025 V HA -0.303 3.818 4.120 0.002 0.000 0.249 1025 V C 2.348 178.417 176.094 -0.042 0.000 1.057 1025 V CA 2.099 64.267 62.300 -0.220 0.000 1.032 1025 V CB -0.943 30.775 31.823 -0.176 0.000 0.645 1025 V HN 0.607 nan 8.190 nan 0.000 0.447 1026 L N -0.437 120.786 121.223 -0.000 0.000 2.023 1026 L HA -0.143 4.199 4.340 0.002 0.000 0.205 1026 L C 2.487 179.361 176.870 0.006 0.000 1.073 1026 L CA 1.872 56.734 54.840 0.037 0.000 0.745 1026 L CB -0.606 41.484 42.059 0.052 0.000 0.900 1026 L HN 0.292 nan 8.230 nan 0.000 0.435 1027 Q N -1.048 118.733 119.800 -0.031 0.000 2.119 1027 Q HA -0.176 4.166 4.340 0.002 0.000 0.201 1027 Q C 1.923 177.921 176.000 -0.004 0.000 0.972 1027 Q CA 1.304 57.093 55.803 -0.024 0.000 0.847 1027 Q CB -0.068 28.642 28.738 -0.046 0.000 0.903 1027 Q HN 0.527 nan 8.270 nan 0.000 0.433 1028 Q N 0.324 120.113 119.800 -0.018 0.000 2.451 1028 Q HA 0.010 4.351 4.340 0.002 0.000 0.206 1028 Q C -0.091 175.921 176.000 0.020 0.000 0.947 1028 Q CA 0.413 56.222 55.803 0.011 0.000 0.937 1028 Q CB 0.374 29.108 28.738 -0.006 0.000 1.025 1028 Q HN 0.303 nan 8.270 nan 0.000 0.511 1029 K N 0.440 120.851 120.400 0.018 0.000 3.129 1029 K HA -0.130 4.191 4.320 0.002 0.000 0.273 1029 K C -0.176 176.443 176.600 0.033 0.000 1.123 1029 K CA 0.603 56.910 56.287 0.033 0.000 0.800 1029 K CB -2.016 30.503 32.500 0.032 0.000 1.238 1029 K HN 0.102 nan 8.250 nan 0.000 0.492 1030 S N 0.704 116.418 115.700 0.024 0.000 2.505 1030 S HA 0.127 4.599 4.470 0.002 0.000 0.276 1030 S C 0.949 175.586 174.600 0.062 0.000 1.274 1030 S CA -0.332 57.884 58.200 0.028 0.000 1.053 1030 S CB 0.795 63.992 63.200 -0.005 0.000 0.919 1030 S HN 0.294 nan 8.310 nan 0.000 0.490 1031 Q N 3.923 123.760 119.800 0.061 0.000 2.282 1031 Q HA 0.385 4.727 4.340 0.002 0.000 0.206 1031 Q C -0.493 175.558 176.000 0.085 0.000 0.878 1031 Q CA 0.292 56.141 55.803 0.076 0.000 0.944 1031 Q CB 0.442 29.209 28.738 0.049 0.000 1.100 1031 Q HN 0.659 nan 8.270 nan 0.000 0.509 1032 I N 1.193 121.819 120.570 0.093 0.000 2.534 1032 I HA 0.401 4.573 4.170 0.002 0.000 0.288 1032 I C -1.014 175.175 176.117 0.120 0.000 1.077 1032 I CA -0.753 60.619 61.300 0.121 0.000 1.051 1032 I CB 2.096 40.179 38.000 0.139 0.000 1.234 1032 I HN -0.047 nan 8.210 nan 0.000 0.425 1033 I N 6.419 127.064 120.570 0.126 0.000 2.474 1033 I HA 0.488 4.659 4.170 0.002 0.000 0.294 1033 I C -0.701 175.395 176.117 -0.036 0.000 1.005 1033 I CA -0.968 60.395 61.300 0.105 0.000 1.113 1033 I CB 2.298 40.465 38.000 0.278 0.000 1.289 1033 I HN 0.127 nan 8.210 nan 0.000 0.436 1034 V N 6.658 126.497 119.914 -0.124 0.000 2.448 1034 V HA 0.454 4.576 4.120 0.002 0.000 0.295 1034 V C -0.284 175.543 176.094 -0.445 0.000 1.025 1034 V CA -0.531 61.615 62.300 -0.257 0.000 0.859 1034 V CB 1.731 33.271 31.823 -0.473 0.000 0.988 1034 V HN 0.716 nan 8.190 nan 0.000 0.431 1035 M N 6.047 125.367 119.600 -0.467 0.000 2.134 1035 M HA 0.538 5.019 4.480 0.002 0.000 0.310 1035 M C -0.959 175.168 176.300 -0.288 0.000 0.966 1035 M CA -0.454 54.475 55.300 -0.618 0.000 0.922 1035 M CB 1.231 33.534 32.600 -0.496 0.000 1.537 1035 M HN 0.583 nan 8.290 nan 0.000 0.424 1036 L N 4.040 125.101 121.223 -0.271 0.000 2.984 1036 L HA 0.364 4.705 4.340 0.002 0.000 0.246 1036 L C 0.117 176.950 176.870 -0.062 0.000 1.268 1036 L CA -0.031 54.735 54.840 -0.123 0.000 1.054 1036 L CB 0.400 42.309 42.059 -0.250 0.000 1.393 1036 L HN 0.742 nan 8.230 nan 0.000 0.532 1037 T N -1.033 113.518 114.554 -0.005 0.000 2.894 1037 T HA 0.361 4.712 4.350 0.002 0.000 0.309 1037 T C -0.927 173.844 174.700 0.118 0.000 1.208 1037 T CA -0.435 61.698 62.100 0.055 0.000 1.016 1037 T CB 1.714 70.609 68.868 0.044 0.000 1.192 1037 T HN 0.110 nan 8.240 nan 0.000 0.491 1038 Q N 0.958 120.832 119.800 0.123 0.000 2.312 1038 Q HA 0.273 4.614 4.340 0.002 0.000 0.236 1038 Q C 1.140 177.236 176.000 0.161 0.000 0.965 1038 Q CA -0.682 55.214 55.803 0.154 0.000 0.894 1038 Q CB 0.763 29.572 28.738 0.120 0.000 1.225 1038 Q HN 0.814 nan 8.270 nan 0.000 0.478 1039 C N 0.891 120.301 119.300 0.185 0.000 2.425 1039 C HA -0.067 4.394 4.460 0.002 0.000 0.277 1039 C C 0.695 175.749 174.990 0.108 0.000 1.280 1039 C CA 0.398 59.506 59.018 0.151 0.000 1.744 1039 C CB -0.665 27.160 27.740 0.141 0.000 1.989 1039 C HN 0.653 nan 8.230 nan 0.000 0.491 1040 N N 0.530 119.289 118.700 0.099 0.000 2.238 1040 N HA 0.438 5.180 4.740 0.002 0.000 0.302 1040 N C -1.284 174.270 175.510 0.072 0.000 1.072 1040 N CA -0.220 52.875 53.050 0.075 0.000 0.792 1040 N CB 1.575 40.100 38.487 0.062 0.000 1.425 1040 N HN 0.479 nan 8.380 nan 0.000 0.478 1041 E N 0.852 121.090 120.200 0.063 0.000 2.260 1041 E HA 0.226 4.577 4.350 0.002 0.000 0.266 1041 E C -0.864 175.767 176.600 0.051 0.000 0.887 1041 E CA -0.660 55.775 56.400 0.057 0.000 0.777 1041 E CB 2.043 31.779 29.700 0.060 0.000 1.205 1041 E HN 0.362 nan 8.360 nan 0.000 0.414 1042 K N 1.342 121.768 120.400 0.044 0.000 3.077 1042 K HA -0.344 3.977 4.320 0.002 0.000 0.264 1042 K C 0.447 177.070 176.600 0.039 0.000 1.008 1042 K CA 0.811 57.122 56.287 0.040 0.000 0.740 1042 K CB -2.018 30.509 32.500 0.045 0.000 1.273 1042 K HN 0.922 nan 8.250 nan 0.000 0.477 1043 R N -1.408 119.113 120.500 0.036 0.000 3.963 1043 R HA -0.233 4.109 4.340 0.002 0.000 0.394 1043 R C -0.108 176.213 176.300 0.035 0.000 1.131 1043 R CA 2.140 58.259 56.100 0.032 0.000 1.059 1043 R CB -2.456 27.860 30.300 0.026 0.000 1.614 1043 R HN 0.546 nan 8.270 nan 0.000 0.546 1044 R N -0.210 120.316 120.500 0.043 0.000 2.445 1044 R HA 0.660 5.001 4.340 0.002 0.000 0.308 1044 R C 0.022 176.351 176.300 0.049 0.000 0.961 1044 R CA -0.584 55.545 56.100 0.047 0.000 0.862 1044 R CB 2.307 32.643 30.300 0.060 0.000 1.144 1044 R HN 0.117 nan 8.270 nan 0.000 0.447 1045 V N 4.045 123.983 119.914 0.040 0.000 2.637 1045 V HA 0.017 4.138 4.120 0.002 0.000 0.296 1045 V C 0.736 176.856 176.094 0.044 0.000 1.046 1045 V CA 0.382 62.703 62.300 0.036 0.000 1.066 1045 V CB 1.059 32.891 31.823 0.015 0.000 0.968 1045 V HN 0.774 nan 8.190 nan 0.000 0.483 1046 K N 1.862 122.295 120.400 0.054 0.000 2.424 1046 K HA 0.321 4.642 4.320 0.002 0.000 0.200 1046 K C 0.008 176.643 176.600 0.057 0.000 1.279 1046 K CA 0.442 56.770 56.287 0.067 0.000 0.918 1046 K CB 0.617 33.167 32.500 0.084 0.000 1.287 1046 K HN 0.617 nan 8.250 nan 0.000 0.502 1047 C N 2.243 121.584 119.300 0.069 0.000 3.006 1047 C HA 0.336 4.798 4.460 0.002 0.000 0.359 1047 C C -1.239 173.795 174.990 0.073 0.000 1.103 1047 C CA -1.140 57.922 59.018 0.072 0.000 1.286 1047 C CB 1.225 29.071 27.740 0.177 0.000 1.694 1047 C HN 0.544 nan 8.230 nan 0.000 0.511 1048 D N 2.053 122.481 120.400 0.047 0.000 2.423 1048 D HA 0.065 4.706 4.640 0.002 0.000 0.238 1048 D C 0.256 176.584 176.300 0.046 0.000 1.142 1048 D CA 0.477 54.512 54.000 0.059 0.000 0.884 1048 D CB 0.499 41.327 40.800 0.046 0.000 1.199 1048 D HN 0.658 nan 8.370 nan 0.000 0.438 1049 H N 3.802 122.758 119.070 -0.190 0.000 3.092 1049 H HA 0.019 4.576 4.556 0.002 0.000 0.263 1049 H C -0.122 174.827 175.328 -0.632 0.000 1.611 1049 H CA -0.139 55.496 56.048 -0.689 0.000 1.457 1049 H CB -0.388 28.915 29.762 -0.764 0.000 1.731 1049 H HN 0.603 nan 8.280 nan 0.000 0.532 1050 Y N 2.294 122.394 120.300 -0.333 0.000 2.529 1050 Y HA 0.118 4.669 4.550 0.002 0.000 0.290 1050 Y C 0.025 175.922 175.900 -0.006 0.000 1.177 1050 Y CA -1.101 56.923 58.100 -0.126 0.000 1.305 1050 Y CB -0.502 37.806 38.460 -0.253 0.000 1.047 1050 Y HN 0.321 nan 8.280 nan 0.000 0.522 1051 W N 0.505 121.475 121.300 -0.550 0.000 2.736 1051 W HA 0.802 5.464 4.660 0.002 0.000 0.355 1051 W C -3.091 173.331 176.519 -0.163 0.000 1.102 1051 W CA -3.384 53.731 57.345 -0.384 0.000 1.164 1051 W CB 0.221 29.272 29.460 -0.683 0.000 1.422 1051 W HN -0.371 nan 8.180 nan 0.000 0.572 1052 P HA 0.089 nan 4.420 nan 0.000 0.272 1052 P C -0.006 177.281 177.300 -0.022 0.000 1.223 1052 P CA 0.047 63.181 63.100 0.056 0.000 0.784 1052 P CB 0.543 32.329 31.700 0.143 0.000 0.923 1053 F N -0.772 119.204 119.950 0.043 0.000 2.615 1053 F HA 0.028 4.556 4.527 0.002 0.000 0.297 1053 F C 1.691 177.533 175.800 0.070 0.000 1.124 1053 F CA 0.803 58.802 58.000 -0.001 0.000 1.451 1053 F CB -0.190 38.719 39.000 -0.151 0.000 1.103 1053 F HN 0.285 nan 8.300 nan 0.000 0.569 1054 T N -3.604 111.091 114.554 0.236 0.000 2.645 1054 T HA 0.187 4.539 4.350 0.002 0.000 0.273 1054 T C 0.884 175.669 174.700 0.141 0.000 0.960 1054 T CA -0.476 61.721 62.100 0.163 0.000 1.051 1054 T CB 1.379 70.314 68.868 0.111 0.000 1.366 1054 T HN 0.050 nan 8.240 nan 0.000 0.536 1055 E N 0.135 120.395 120.200 0.099 0.000 2.435 1055 E HA 0.025 4.376 4.350 0.002 0.000 0.195 1055 E C 0.411 177.044 176.600 0.055 0.000 1.029 1055 E CA 0.222 56.669 56.400 0.078 0.000 0.865 1055 E CB -0.186 29.548 29.700 0.056 0.000 0.833 1055 E HN 0.549 nan 8.360 nan 0.000 0.510 1056 E N 2.226 122.455 120.200 0.048 0.000 2.324 1056 E HA 0.180 4.532 4.350 0.002 0.000 0.271 1056 E C -2.499 174.107 176.600 0.009 0.000 1.028 1056 E CA -2.169 54.244 56.400 0.021 0.000 0.890 1056 E CB 0.474 30.183 29.700 0.014 0.000 1.004 1056 E HN 0.197 nan 8.360 nan 0.000 0.431 1057 P HA 0.185 nan 4.420 nan 0.000 0.268 1057 P C -0.627 176.624 177.300 -0.081 0.000 1.204 1057 P CA -0.082 62.996 63.100 -0.037 0.000 0.768 1057 P CB 0.307 31.984 31.700 -0.038 0.000 0.842 1058 I N 1.875 122.361 120.570 -0.140 0.000 2.433 1058 I HA 0.399 4.570 4.170 0.002 0.000 0.292 1058 I C 0.350 176.204 176.117 -0.440 0.000 1.001 1058 I CA -1.223 59.894 61.300 -0.306 0.000 1.119 1058 I CB 1.489 39.236 38.000 -0.422 0.000 1.289 1058 I HN 0.310 nan 8.210 nan 0.000 0.438 1059 A N 6.766 129.355 122.820 -0.386 0.000 2.354 1059 A HA 0.429 4.750 4.320 0.002 0.000 0.281 1059 A C -1.147 176.169 177.584 -0.447 0.000 1.174 1059 A CA -0.051 51.814 52.037 -0.287 0.000 0.828 1059 A CB -0.327 18.589 19.000 -0.140 0.000 1.099 1059 A HN 0.529 nan 8.150 nan 0.000 0.516 1060 Y N 3.054 123.317 120.300 -0.062 0.000 2.931 1060 Y HA 0.458 5.009 4.550 0.001 0.000 0.330 1060 Y C 1.391 177.325 175.900 0.057 0.000 1.115 1060 Y CA 0.580 58.690 58.100 0.016 0.000 1.283 1060 Y CB 0.558 39.031 38.460 0.022 0.000 1.215 1060 Y HN 1.269 nan 8.280 nan 0.000 0.534 1061 G N 1.748 110.632 108.800 0.140 0.000 2.565 1061 G HA2 -0.377 3.585 3.960 0.002 0.000 0.295 1061 G HA3 -0.377 3.585 3.960 0.002 0.000 0.295 1061 G C 0.746 175.705 174.900 0.099 0.000 1.165 1061 G CA 0.626 45.793 45.100 0.112 0.000 0.977 1061 G HN 0.462 nan 8.290 nan 0.000 0.546 1062 D N 0.921 121.390 120.400 0.114 0.000 2.355 1062 D HA 0.200 4.842 4.640 0.002 0.000 0.218 1062 D C 1.037 177.460 176.300 0.206 0.000 1.004 1062 D CA 0.660 54.758 54.000 0.164 0.000 0.880 1062 D CB 0.305 41.206 40.800 0.168 0.000 0.911 1062 D HN 0.412 nan 8.370 nan 0.000 0.528 1063 I N 0.813 121.470 120.570 0.144 0.000 2.355 1063 I HA 0.111 4.282 4.170 0.002 0.000 0.288 1063 I C -0.017 176.122 176.117 0.038 0.000 0.999 1063 I CA -0.268 61.103 61.300 0.118 0.000 1.163 1063 I CB 1.951 40.019 38.000 0.113 0.000 1.316 1063 I HN -0.371 nan 8.210 nan 0.000 0.454 1064 T N 5.821 120.376 114.554 0.002 0.000 2.845 1064 T HA 0.461 4.812 4.350 0.002 0.000 0.288 1064 T C -0.145 174.480 174.700 -0.125 0.000 0.980 1064 T CA -0.401 61.660 62.100 -0.065 0.000 1.071 1064 T CB 1.384 70.224 68.868 -0.047 0.000 0.941 1064 T HN 0.183 nan 8.240 nan 0.000 0.487 1065 V N 3.374 123.186 119.914 -0.170 0.000 2.487 1065 V HA 0.452 4.573 4.120 0.002 0.000 0.298 1065 V C -0.016 176.014 176.094 -0.107 0.000 1.028 1065 V CA -0.844 61.300 62.300 -0.259 0.000 0.860 1065 V CB 1.666 33.104 31.823 -0.641 0.000 0.991 1065 V HN 0.877 nan 8.190 nan 0.000 0.427 1066 E N 4.460 124.639 120.200 -0.036 0.000 2.158 1066 E HA 0.494 4.845 4.350 0.002 0.000 0.271 1066 E C -0.726 175.961 176.600 0.145 0.000 0.911 1066 E CA -0.816 55.602 56.400 0.030 0.000 0.767 1066 E CB 1.726 31.428 29.700 0.003 0.000 1.120 1066 E HN 0.751 nan 8.360 nan 0.000 0.405 1067 M N 6.933 126.660 119.600 0.212 0.000 2.193 1067 M HA 0.129 4.610 4.480 0.002 0.000 0.342 1067 M C 0.012 176.355 176.300 0.072 0.000 1.413 1067 M CA -0.350 55.121 55.300 0.285 0.000 1.191 1067 M CB 0.433 33.251 32.600 0.362 0.000 1.633 1067 M HN 0.682 nan 8.290 nan 0.000 0.458 1068 I N 2.075 122.604 120.570 -0.067 0.000 2.584 1068 I HA 0.023 4.194 4.170 0.002 0.000 0.255 1068 I C 0.861 176.942 176.117 -0.061 0.000 1.145 1068 I CA 0.805 62.011 61.300 -0.157 0.000 1.462 1068 I CB -1.071 36.630 38.000 -0.498 0.000 1.102 1068 I HN 0.754 nan 8.210 nan 0.000 0.433 1069 S N 0.061 115.742 115.700 -0.032 0.000 2.565 1069 S HA 0.571 5.042 4.470 0.002 0.000 0.269 1069 S C -0.838 173.763 174.600 0.001 0.000 1.153 1069 S CA -0.843 57.367 58.200 0.016 0.000 0.835 1069 S CB 2.991 66.221 63.200 0.048 0.000 1.122 1069 S HN 0.212 nan 8.310 nan 0.000 0.462 1070 E N 0.550 120.769 120.200 0.031 0.000 2.317 1070 E HA 0.345 4.696 4.350 0.002 0.000 0.270 1070 E C -1.549 175.088 176.600 0.062 0.000 0.899 1070 E CA -0.220 56.204 56.400 0.041 0.000 0.814 1070 E CB 1.364 31.120 29.700 0.093 0.000 1.296 1070 E HN 0.722 nan 8.360 nan 0.000 0.404 1071 E N 4.566 124.807 120.200 0.069 0.000 2.165 1071 E HA 0.271 4.622 4.350 0.002 0.000 0.266 1071 E C -1.122 175.547 176.600 0.115 0.000 0.889 1071 E CA -0.548 55.906 56.400 0.091 0.000 0.756 1071 E CB 1.401 31.162 29.700 0.103 0.000 1.131 1071 E HN 0.474 nan 8.360 nan 0.000 0.411 1072 E N 3.375 123.626 120.200 0.086 0.000 2.166 1072 E HA 0.217 4.568 4.350 0.002 0.000 0.275 1072 E C -0.456 176.145 176.600 0.000 0.000 0.941 1072 E CA -0.646 55.794 56.400 0.067 0.000 0.784 1072 E CB 1.639 31.377 29.700 0.062 0.000 1.115 1072 E HN 0.456 nan 8.360 nan 0.000 0.399 1073 Q N 1.530 121.280 119.800 -0.084 0.000 2.852 1073 Q HA 0.210 4.551 4.340 0.002 0.000 0.262 1073 Q C 0.183 176.016 176.000 -0.279 0.000 1.051 1073 Q CA -0.701 54.956 55.803 -0.243 0.000 0.894 1073 Q CB 0.639 29.069 28.738 -0.515 0.000 1.381 1073 Q HN 0.440 nan 8.270 nan 0.000 0.501 1074 D N 0.544 120.734 120.400 -0.349 0.000 2.097 1074 D HA -0.113 4.529 4.640 0.002 0.000 0.197 1074 D C 0.467 176.582 176.300 -0.309 0.000 0.984 1074 D CA 1.527 55.364 54.000 -0.271 0.000 0.826 1074 D CB 0.261 40.914 40.800 -0.245 0.000 0.973 1074 D HN 0.385 nan 8.370 nan 0.000 0.460 1075 D N -1.542 118.566 120.400 -0.486 0.000 2.407 1075 D HA 0.141 4.783 4.640 0.002 0.000 0.208 1075 D C 0.104 176.207 176.300 -0.328 0.000 1.083 1075 D CA -0.042 53.689 54.000 -0.448 0.000 0.844 1075 D CB 0.693 41.281 40.800 -0.353 0.000 0.967 1075 D HN 0.311 nan 8.370 nan 0.000 0.506 1076 W N 0.072 121.302 121.300 -0.117 0.000 3.005 1076 W HA 0.745 5.406 4.660 0.002 0.000 0.343 1076 W C -1.909 174.666 176.519 0.093 0.000 1.243 1076 W CA -1.651 55.684 57.345 -0.017 0.000 1.186 1076 W CB 0.625 30.209 29.460 0.207 0.000 1.453 1076 W HN -0.165 nan 8.180 nan 0.000 0.575 1077 A N 0.584 123.702 122.820 0.496 0.000 2.498 1077 A HA 0.854 5.175 4.320 0.002 0.000 0.298 1077 A C -1.611 176.185 177.584 0.352 0.000 1.075 1077 A CA -0.779 51.471 52.037 0.355 0.000 0.714 1077 A CB 1.183 20.305 19.000 0.203 0.000 1.299 1077 A HN 0.973 nan 8.150 nan 0.000 0.407 1078 C N 0.762 120.199 119.300 0.227 0.000 2.408 1078 C HA 0.814 5.275 4.460 0.002 0.000 0.321 1078 C C 0.175 175.094 174.990 -0.118 0.000 1.245 1078 C CA -0.595 58.430 59.018 0.013 0.000 1.523 1078 C CB 0.782 28.583 27.740 0.101 0.000 2.178 1078 C HN 0.877 nan 8.230 nan 0.000 0.488 1079 R N 0.894 121.197 120.500 -0.328 0.000 2.575 1079 R HA 0.385 4.726 4.340 0.002 0.000 0.293 1079 R C -0.841 175.111 176.300 -0.580 0.000 0.983 1079 R CA -0.506 55.324 56.100 -0.450 0.000 0.887 1079 R CB 1.552 31.452 30.300 -0.668 0.000 1.184 1079 R HN 0.888 nan 8.270 nan 0.000 0.445 1080 H N 3.829 122.607 119.070 -0.486 0.000 2.552 1080 H HA 0.306 4.863 4.556 0.002 0.000 0.311 1080 H C -1.034 174.097 175.328 -0.329 0.000 1.071 1080 H CA -0.577 55.258 56.048 -0.355 0.000 1.307 1080 H CB 0.552 30.223 29.762 -0.151 0.000 1.416 1080 H HN 0.289 nan 8.280 nan 0.000 0.464 1081 F N 3.671 123.754 119.950 0.221 0.000 2.469 1081 F HA 0.365 4.894 4.527 0.003 0.000 0.332 1081 F C 0.404 176.258 175.800 0.089 0.000 1.103 1081 F CA -0.947 57.101 58.000 0.080 0.000 0.979 1081 F CB 1.441 40.519 39.000 0.130 0.000 1.137 1081 F HN 0.479 nan 8.300 nan 0.000 0.463 1082 R N 4.571 125.162 120.500 0.151 0.000 2.338 1082 R HA 0.698 5.040 4.340 0.002 0.000 0.317 1082 R C -0.976 175.364 176.300 0.067 0.000 0.968 1082 R CA -0.535 55.628 56.100 0.105 0.000 0.849 1082 R CB 0.850 31.160 30.300 0.017 0.000 1.128 1082 R HN 0.823 nan 8.270 nan 0.000 0.448 1083 I N 2.969 123.586 120.570 0.078 0.000 2.530 1083 I HA 0.558 4.729 4.170 0.002 0.000 0.297 1083 I C -1.288 174.863 176.117 0.055 0.000 1.011 1083 I CA -0.923 60.388 61.300 0.018 0.000 1.107 1083 I CB 2.050 40.064 38.000 0.024 0.000 1.285 1083 I HN 0.665 nan 8.210 nan 0.000 0.436 1084 N N 4.662 123.390 118.700 0.046 0.000 2.284 1084 N HA 0.301 5.042 4.740 0.002 0.000 0.289 1084 N C -2.115 173.485 175.510 0.151 0.000 1.179 1084 N CA -0.604 52.497 53.050 0.085 0.000 0.774 1084 N CB 2.247 40.761 38.487 0.044 0.000 1.548 1084 N HN 0.813 nan 8.380 nan 0.000 0.473 1085 Y N 1.798 122.108 120.300 0.017 0.000 2.526 1085 Y HA 0.547 5.099 4.550 0.002 0.000 0.328 1085 Y C 0.722 176.632 175.900 0.016 0.000 0.995 1085 Y CA 0.239 58.351 58.100 0.019 0.000 1.304 1085 Y CB 0.140 38.619 38.460 0.031 0.000 1.096 1085 Y HN 1.089 nan 8.280 nan 0.000 0.499 1086 A N 3.602 126.237 122.820 -0.309 0.000 5.175 1086 A HA -0.378 3.943 4.320 0.002 0.000 0.332 1086 A C 1.306 178.786 177.584 -0.173 0.000 1.800 1086 A CA 2.287 54.143 52.037 -0.301 0.000 0.707 1086 A CB -1.678 17.034 19.000 -0.481 0.000 1.405 1086 A HN 0.672 nan 8.150 nan 0.000 0.388 1087 D N 1.204 121.497 120.400 -0.179 0.000 2.340 1087 D HA 0.198 4.839 4.640 0.002 0.000 0.220 1087 D C 0.634 176.912 176.300 -0.036 0.000 1.039 1087 D CA 0.852 54.801 54.000 -0.084 0.000 0.866 1087 D CB 0.143 40.899 40.800 -0.074 0.000 0.913 1087 D HN 0.647 nan 8.370 nan 0.000 0.523 1088 E N 1.008 121.195 120.200 -0.020 0.000 2.134 1088 E HA 0.242 4.593 4.350 0.002 0.000 0.278 1088 E C -0.700 175.948 176.600 0.079 0.000 0.959 1088 E CA -0.482 55.954 56.400 0.060 0.000 0.783 1088 E CB 0.967 30.755 29.700 0.147 0.000 1.095 1088 E HN -0.132 nan 8.360 nan 0.000 0.399 1089 M N 4.292 123.934 119.600 0.070 0.000 2.464 1089 M HA 0.326 4.808 4.480 0.002 0.000 0.308 1089 M C -1.772 174.579 176.300 0.086 0.000 1.127 1089 M CA -0.518 54.826 55.300 0.073 0.000 0.913 1089 M CB 1.922 34.554 32.600 0.054 0.000 1.689 1089 M HN 0.764 nan 8.290 nan 0.000 0.445 1090 Q N 2.472 122.333 119.800 0.102 0.000 2.340 1090 Q HA 0.397 4.738 4.340 0.002 0.000 0.276 1090 Q C -1.880 174.209 176.000 0.148 0.000 1.048 1090 Q CA -0.644 55.227 55.803 0.114 0.000 0.832 1090 Q CB 2.472 31.280 28.738 0.117 0.000 1.373 1090 Q HN 0.677 nan 8.270 nan 0.000 0.409 1091 D N 2.144 122.637 120.400 0.156 0.000 2.168 1091 D HA 0.463 5.104 4.640 0.002 0.000 0.246 1091 D C -0.957 175.451 176.300 0.181 0.000 1.050 1091 D CA -0.175 53.955 54.000 0.217 0.000 0.857 1091 D CB 2.040 42.967 40.800 0.211 0.000 1.169 1091 D HN 0.256 nan 8.370 nan 0.000 0.453 1092 V N 2.949 123.012 119.914 0.248 0.000 2.686 1092 V HA 0.294 4.416 4.120 0.002 0.000 0.306 1092 V C -0.059 176.105 176.094 0.117 0.000 1.065 1092 V CA -0.859 61.573 62.300 0.220 0.000 0.894 1092 V CB 2.115 34.165 31.823 0.379 0.000 1.004 1092 V HN 0.458 nan 8.190 nan 0.000 0.424 1093 M N 4.349 123.932 119.600 -0.028 0.000 2.264 1093 M HA 0.451 4.932 4.480 0.002 0.000 0.352 1093 M C -0.442 175.682 176.300 -0.294 0.000 1.173 1093 M CA -0.133 55.002 55.300 -0.276 0.000 1.075 1093 M CB 0.936 33.323 32.600 -0.355 0.000 1.621 1093 M HN 0.800 nan 8.290 nan 0.000 0.457 1094 H N 3.716 122.417 119.070 -0.616 0.000 2.539 1094 H HA 0.463 5.020 4.556 0.002 0.000 0.332 1094 H C -1.945 173.007 175.328 -0.628 0.000 1.031 1094 H CA -0.414 55.367 56.048 -0.443 0.000 1.206 1094 H CB 0.846 30.399 29.762 -0.349 0.000 1.446 1094 H HN 0.462 nan 8.280 nan 0.000 0.496 1095 F N 3.837 123.598 119.950 -0.315 0.000 2.427 1095 F HA 0.236 4.765 4.527 0.002 0.000 0.348 1095 F C 0.523 176.274 175.800 -0.082 0.000 1.125 1095 F CA -0.670 57.276 58.000 -0.090 0.000 0.989 1095 F CB 1.109 40.050 39.000 -0.100 0.000 1.165 1095 F HN 0.514 nan 8.300 nan 0.000 0.442 1096 N N 3.365 122.166 118.700 0.167 0.000 2.518 1096 N HA 0.168 4.909 4.740 0.002 0.000 0.254 1096 N C -1.527 174.054 175.510 0.119 0.000 0.979 1096 N CA -0.526 52.553 53.050 0.048 0.000 0.930 1096 N CB 0.754 39.268 38.487 0.046 0.000 1.152 1096 N HN 0.606 nan 8.380 nan 0.000 0.505 1097 Y N 3.373 123.507 120.300 -0.276 0.000 2.393 1097 Y HA 0.100 4.652 4.550 0.002 0.000 0.338 1097 Y C 1.302 177.162 175.900 -0.066 0.000 1.029 1097 Y CA 0.397 58.257 58.100 -0.401 0.000 1.239 1097 Y CB 1.007 38.936 38.460 -0.884 0.000 1.170 1097 Y HN 0.561 nan 8.280 nan 0.000 0.515 1098 T N 0.861 115.185 114.554 -0.383 0.000 3.044 1098 T HA 0.331 4.682 4.350 0.002 0.000 0.260 1098 T C 0.895 175.466 174.700 -0.215 0.000 1.019 1098 T CA 0.332 62.332 62.100 -0.167 0.000 0.921 1098 T CB 0.256 69.072 68.868 -0.086 0.000 1.053 1098 T HN 0.574 nan 8.240 nan 0.000 0.533 1099 A N 0.576 123.085 122.820 -0.518 0.000 2.574 1099 A HA 0.336 4.658 4.320 0.002 0.000 0.283 1099 A C 0.277 177.902 177.584 0.069 0.000 1.270 1099 A CA -0.824 51.051 52.037 -0.270 0.000 0.945 1099 A CB -0.596 18.177 19.000 -0.378 0.000 1.127 1099 A HN 0.658 nan 8.150 nan 0.000 0.522 1100 W N 3.335 124.720 121.300 0.143 0.000 2.385 1100 W HA 0.099 4.761 4.660 0.004 0.000 0.336 1100 W C -2.202 174.319 176.519 0.003 0.000 1.351 1100 W CA -0.761 56.695 57.345 0.186 0.000 1.295 1100 W CB 0.527 30.052 29.460 0.108 0.000 1.239 1100 W HN 0.250 nan 8.180 nan 0.000 0.565 1101 P HA -0.039 nan 4.420 nan 0.000 0.270 1101 P C -0.453 176.764 177.300 -0.138 0.000 1.223 1101 P CA 0.092 63.042 63.100 -0.249 0.000 0.785 1101 P CB 0.840 32.279 31.700 -0.434 0.000 0.923 1102 D N -0.122 120.193 120.400 -0.142 0.000 2.361 1102 D HA -0.002 4.639 4.640 0.002 0.000 0.239 1102 D C 0.201 176.371 176.300 -0.217 0.000 1.200 1102 D CA -0.058 53.822 54.000 -0.199 0.000 0.915 1102 D CB 0.275 41.015 40.800 -0.100 0.000 1.170 1102 D HN 0.278 nan 8.370 nan 0.000 0.444 1103 H N 0.910 119.983 119.070 0.005 0.000 3.070 1103 H HA 0.262 4.820 4.556 0.002 0.000 0.313 1103 H C 0.824 176.135 175.328 -0.028 0.000 0.997 1103 H CA 0.685 56.726 56.048 -0.012 0.000 1.438 1103 H CB 0.795 30.557 29.762 0.000 0.000 1.455 1103 H HN 0.565 nan 8.280 nan 0.000 0.575 1104 G N 2.476 111.301 108.800 0.042 0.000 2.675 1104 G HA2 0.021 3.982 3.960 0.002 0.000 0.202 1104 G HA3 0.021 3.982 3.960 0.002 0.000 0.202 1104 G C -0.149 174.733 174.900 -0.029 0.000 1.252 1104 G CA -0.206 44.913 45.100 0.031 0.000 0.627 1104 G HN 0.435 nan 8.290 nan 0.000 0.921 1105 V N 4.080 123.981 119.914 -0.022 0.000 2.356 1105 V HA 0.310 4.432 4.120 0.002 0.000 0.258 1105 V C -1.900 174.171 176.094 -0.039 0.000 1.065 1105 V CA -1.141 61.147 62.300 -0.019 0.000 0.935 1105 V CB 0.538 32.363 31.823 0.003 0.000 1.061 1105 V HN 0.170 nan 8.190 nan 0.000 0.484 1106 P HA 0.172 nan 4.420 nan 0.000 0.269 1106 P C 0.483 177.783 177.300 -0.001 0.000 1.215 1106 P CA -0.082 62.950 63.100 -0.114 0.000 0.780 1106 P CB 0.258 31.771 31.700 -0.311 0.000 0.898 1107 T N -1.277 113.269 114.554 -0.013 0.000 2.795 1107 T HA 0.245 4.596 4.350 0.002 0.000 0.314 1107 T C 1.425 176.153 174.700 0.046 0.000 1.069 1107 T CA -0.048 62.060 62.100 0.014 0.000 1.071 1107 T CB 0.343 69.212 68.868 0.000 0.000 0.988 1107 T HN 0.365 nan 8.240 nan 0.000 0.543 1108 A N 1.873 124.716 122.820 0.038 0.000 1.892 1108 A HA -0.176 4.145 4.320 0.002 0.000 0.218 1108 A C 2.388 179.995 177.584 0.039 0.000 1.188 1108 A CA 1.771 53.831 52.037 0.038 0.000 0.631 1108 A CB -1.060 17.954 19.000 0.023 0.000 0.822 1108 A HN 0.881 nan 8.150 nan 0.000 0.447 1109 N N 0.171 118.889 118.700 0.030 0.000 2.244 1109 N HA -0.070 4.671 4.740 0.002 0.000 0.183 1109 N C 1.880 177.421 175.510 0.053 0.000 1.016 1109 N CA 1.346 54.416 53.050 0.034 0.000 0.866 1109 N CB -0.516 37.982 38.487 0.018 0.000 0.980 1109 N HN 0.502 nan 8.380 nan 0.000 0.430 1110 A N 1.192 124.037 122.820 0.042 0.000 1.877 1110 A HA -0.003 4.319 4.320 0.002 0.000 0.216 1110 A C 2.402 180.051 177.584 0.109 0.000 1.186 1110 A CA 1.943 54.002 52.037 0.037 0.000 0.620 1110 A CB -0.800 18.168 19.000 -0.054 0.000 0.822 1110 A HN 0.309 nan 8.150 nan 0.000 0.443 1111 A N -0.347 122.570 122.820 0.162 0.000 1.873 1111 A HA -0.131 4.190 4.320 0.002 0.000 0.215 1111 A C 1.981 179.598 177.584 0.055 0.000 1.186 1111 A CA 2.142 54.270 52.037 0.153 0.000 0.616 1111 A CB -0.542 18.502 19.000 0.072 0.000 0.823 1111 A HN 0.540 nan 8.150 nan 0.000 0.442 1112 E N 0.286 120.519 120.200 0.055 0.000 2.085 1112 E HA -0.168 4.184 4.350 0.002 0.000 0.194 1112 E C 2.186 178.859 176.600 0.122 0.000 0.994 1112 E CA 1.729 58.161 56.400 0.054 0.000 0.801 1112 E CB -0.472 29.254 29.700 0.044 0.000 0.743 1112 E HN 0.480 nan 8.360 nan 0.000 0.453 1113 S N -0.690 115.115 115.700 0.175 0.000 2.356 1113 S HA -0.105 4.366 4.470 0.002 0.000 0.223 1113 S C 1.991 176.825 174.600 0.391 0.000 1.032 1113 S CA 1.401 59.803 58.200 0.338 0.000 1.005 1113 S CB -0.411 62.997 63.200 0.348 0.000 0.867 1113 S HN 0.404 nan 8.310 nan 0.000 0.449 1114 I N 1.281 121.952 120.570 0.169 0.000 2.226 1114 I HA -0.178 3.993 4.170 0.002 0.000 0.245 1114 I C 2.269 178.399 176.117 0.021 0.000 1.100 1114 I CA 1.112 62.376 61.300 -0.060 0.000 1.374 1114 I CB -0.504 37.393 38.000 -0.173 0.000 1.057 1114 I HN 0.318 nan 8.210 nan 0.000 0.413 1115 L N 0.103 121.333 121.223 0.011 0.000 2.046 1115 L HA -0.232 4.109 4.340 0.002 0.000 0.208 1115 L C 2.698 179.578 176.870 0.016 0.000 1.077 1115 L CA 1.420 56.242 54.840 -0.030 0.000 0.747 1115 L CB -0.620 41.400 42.059 -0.064 0.000 0.896 1115 L HN 0.302 nan 8.230 nan 0.000 0.432 1116 Q N -0.783 119.076 119.800 0.099 0.000 2.096 1116 Q HA -0.262 4.080 4.340 0.002 0.000 0.204 1116 Q C 2.158 178.145 176.000 -0.021 0.000 0.982 1116 Q CA 1.966 57.846 55.803 0.129 0.000 0.850 1116 Q CB -0.214 28.726 28.738 0.338 0.000 0.901 1116 Q HN 0.408 nan 8.270 nan 0.000 0.422 1117 F N 0.299 120.106 119.950 -0.239 0.000 2.134 1117 F HA -0.203 4.325 4.527 0.002 0.000 0.299 1117 F C 1.940 177.531 175.800 -0.349 0.000 1.097 1117 F CA 1.028 58.666 58.000 -0.605 0.000 1.264 1117 F CB -0.191 38.606 39.000 -0.339 0.000 1.001 1117 F HN -0.190 nan 8.300 nan 0.000 0.479 1118 V N -0.093 119.722 119.914 -0.164 0.000 2.343 1118 V HA -0.329 3.792 4.120 0.002 0.000 0.247 1118 V C 2.332 178.242 176.094 -0.307 0.000 1.051 1118 V CA 2.369 64.518 62.300 -0.251 0.000 1.036 1118 V CB -1.046 30.595 31.823 -0.303 0.000 0.654 1118 V HN 0.502 nan 8.190 nan 0.000 0.451 1119 H N -0.147 118.748 119.070 -0.293 0.000 2.319 1119 H HA -0.250 4.308 4.556 0.002 0.000 0.299 1119 H C 2.265 177.405 175.328 -0.314 0.000 1.092 1119 H CA 2.687 58.582 56.048 -0.255 0.000 1.302 1119 H CB -0.133 29.527 29.762 -0.170 0.000 1.373 1119 H HN 0.349 nan 8.280 nan 0.000 0.497 1120 M N -0.350 119.043 119.600 -0.344 0.000 2.117 1120 M HA -0.161 4.320 4.480 0.002 0.000 0.262 1120 M C 1.814 177.685 176.300 -0.715 0.000 1.065 1120 M CA 1.820 56.835 55.300 -0.475 0.000 1.114 1120 M CB -0.073 32.204 32.600 -0.537 0.000 1.361 1120 M HN 0.263 nan 8.290 nan 0.000 0.408 1121 V N 0.827 120.176 119.914 -0.941 0.000 2.343 1121 V HA -0.254 3.868 4.120 0.002 0.000 0.247 1121 V C 2.539 178.337 176.094 -0.494 0.000 1.051 1121 V CA 2.114 63.833 62.300 -0.970 0.000 1.036 1121 V CB -1.048 30.321 31.823 -0.758 0.000 0.654 1121 V HN 0.532 nan 8.190 nan 0.000 0.451 1122 R N 0.517 120.777 120.500 -0.400 0.000 2.096 1122 R HA -0.151 4.191 4.340 0.002 0.000 0.235 1122 R C 2.214 178.340 176.300 -0.289 0.000 1.127 1122 R CA 1.544 57.468 56.100 -0.294 0.000 0.968 1122 R CB -0.674 29.441 30.300 -0.309 0.000 0.861 1122 R HN 0.461 nan 8.270 nan 0.000 0.440 1123 Q N 0.050 119.629 119.800 -0.369 0.000 2.124 1123 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 1123 Q C 1.922 177.819 176.000 -0.171 0.000 0.977 1123 Q CA 1.732 57.371 55.803 -0.272 0.000 0.850 1123 Q CB -0.371 28.205 28.738 -0.271 0.000 0.901 1123 Q HN 0.411 nan 8.270 nan 0.000 0.429 1124 Q N 0.073 119.768 119.800 -0.175 0.000 2.245 1124 Q HA 0.083 4.424 4.340 0.002 0.000 0.201 1124 Q C 1.744 177.714 176.000 -0.050 0.000 0.955 1124 Q CA 1.284 57.049 55.803 -0.063 0.000 0.870 1124 Q CB -0.246 28.520 28.738 0.047 0.000 0.945 1124 Q HN 0.313 nan 8.270 nan 0.000 0.461 1125 A N -0.325 122.442 122.820 -0.087 0.000 1.969 1125 A HA -0.141 4.180 4.320 0.002 0.000 0.218 1125 A C 2.228 179.776 177.584 -0.061 0.000 1.169 1125 A CA 1.884 53.883 52.037 -0.062 0.000 0.635 1125 A CB -1.161 17.795 19.000 -0.073 0.000 0.810 1125 A HN 0.603 nan 8.150 nan 0.000 0.445 1126 T N -1.854 112.655 114.554 -0.075 0.000 2.915 1126 T HA -0.077 4.274 4.350 0.002 0.000 0.269 1126 T C 1.590 176.264 174.700 -0.043 0.000 1.071 1126 T CA 1.580 63.644 62.100 -0.060 0.000 1.132 1126 T CB -0.306 68.521 68.868 -0.068 0.000 0.878 1126 T HN 0.557 nan 8.240 nan 0.000 0.479 1127 K N 0.858 121.234 120.400 -0.040 0.000 2.361 1127 K HA 0.243 4.564 4.320 0.002 0.000 0.196 1127 K C 0.757 177.346 176.600 -0.019 0.000 1.039 1127 K CA 0.090 56.361 56.287 -0.027 0.000 1.001 1127 K CB 0.309 32.795 32.500 -0.025 0.000 0.795 1127 K HN 0.280 nan 8.250 nan 0.000 0.495 1128 S N 0.666 116.355 115.700 -0.019 0.000 2.768 1128 S HA 0.404 4.876 4.470 0.002 0.000 0.300 1128 S C -0.374 174.218 174.600 -0.014 0.000 1.122 1128 S CA -0.920 57.275 58.200 -0.009 0.000 0.995 1128 S CB 1.338 64.540 63.200 0.004 0.000 1.195 1128 S HN 0.126 nan 8.310 nan 0.000 0.547 1129 K N -0.802 119.594 120.400 -0.007 0.000 2.499 1129 K HA 0.759 5.081 4.320 0.002 0.000 0.277 1129 K C -0.243 176.355 176.600 -0.005 0.000 1.025 1129 K CA -0.937 55.343 56.287 -0.012 0.000 0.900 1129 K CB 0.864 33.359 32.500 -0.009 0.000 1.494 1129 K HN 1.067 nan 8.250 nan 0.000 0.442 1130 G N 0.699 109.493 108.800 -0.010 0.000 2.781 1130 G HA2 -0.104 3.857 3.960 0.002 0.000 0.683 1130 G HA3 -0.104 3.857 3.960 0.002 0.000 0.683 1130 G C -2.783 172.112 174.900 -0.009 0.000 1.390 1130 G CA -0.738 44.362 45.100 -0.001 0.000 0.850 1130 G HN 0.556 nan 8.290 nan 0.000 0.557 1131 P HA 0.287 nan 4.420 nan 0.000 0.269 1131 P C 0.078 177.388 177.300 0.017 0.000 1.209 1131 P CA -0.105 63.007 63.100 0.019 0.000 0.776 1131 P CB 0.613 32.371 31.700 0.096 0.000 0.876 1132 M N 3.486 123.094 119.600 0.013 0.000 2.108 1132 M HA 0.300 4.782 4.480 0.002 0.000 0.354 1132 M C -0.555 175.830 176.300 0.142 0.000 1.229 1132 M CA -0.573 54.777 55.300 0.082 0.000 1.081 1132 M CB -0.013 32.651 32.600 0.107 0.000 1.606 1132 M HN 0.212 nan 8.290 nan 0.000 0.467 1133 I N 6.193 126.818 120.570 0.091 0.000 2.342 1133 I HA 0.293 4.464 4.170 0.002 0.000 0.291 1133 I C -0.487 175.673 176.117 0.073 0.000 1.010 1133 I CA -0.508 60.839 61.300 0.077 0.000 1.308 1133 I CB 0.905 38.927 38.000 0.037 0.000 1.400 1133 I HN 0.539 nan 8.210 nan 0.000 0.488 1134 I N 6.533 127.136 120.570 0.056 0.000 2.466 1134 I HA 0.405 4.577 4.170 0.002 0.000 0.289 1134 I C -0.512 175.612 176.117 0.011 0.000 1.026 1134 I CA -0.558 60.706 61.300 -0.060 0.000 1.078 1134 I CB 1.234 39.187 38.000 -0.078 0.000 1.249 1134 I HN 0.670 nan 8.210 nan 0.000 0.429 1135 H N 3.688 122.702 119.070 -0.093 0.000 2.980 1135 H HA 0.800 5.358 4.556 0.003 0.000 0.367 1135 H C -0.313 174.951 175.328 -0.107 0.000 1.206 1135 H CA -0.685 55.309 56.048 -0.089 0.000 1.126 1135 H CB 1.729 31.438 29.762 -0.088 0.000 1.838 1135 H HN 0.691 nan 8.280 nan 0.000 0.552 1136 C N -0.138 119.201 119.300 0.065 0.000 3.341 1136 C HA 0.620 5.082 4.460 0.002 0.000 0.084 1136 C C 1.889 176.968 174.990 0.147 0.000 2.358 1136 C CA 0.518 59.543 59.018 0.012 0.000 1.712 1136 C CB 0.815 28.458 27.740 -0.162 0.000 2.847 1136 C HN 0.803 nan 8.230 nan 0.000 0.400 1137 S N 0.356 116.102 115.700 0.076 0.000 2.541 1137 S HA 0.313 4.785 4.470 0.002 0.000 0.219 1137 S C 1.960 176.674 174.600 0.190 0.000 1.025 1137 S CA 1.114 59.389 58.200 0.124 0.000 0.917 1137 S CB -0.739 62.551 63.200 0.151 0.000 0.859 1137 S HN 0.998 nan 8.310 nan 0.000 0.584 1138 A N 0.038 122.987 122.820 0.216 0.000 2.016 1138 A HA 0.436 4.757 4.320 0.002 0.000 0.217 1138 A C 1.696 179.319 177.584 0.065 0.000 1.162 1138 A CA 1.195 53.353 52.037 0.202 0.000 0.662 1138 A CB -1.152 17.814 19.000 -0.057 0.000 0.812 1138 A HN 1.510 nan 8.150 nan 0.000 0.450 1139 G N -1.514 107.299 108.800 0.022 0.000 2.160 1139 G HA2 -0.201 3.760 3.960 0.002 0.000 0.244 1139 G HA3 -0.201 3.760 3.960 0.002 0.000 0.244 1139 G C 0.823 175.705 174.900 -0.029 0.000 1.022 1139 G CA 0.964 46.063 45.100 -0.001 0.000 0.741 1139 G HN 1.685 nan 8.290 nan 0.000 0.508 1140 V N -4.535 115.353 119.914 -0.043 0.000 3.229 1140 V HA 0.640 4.761 4.120 0.002 0.000 0.239 1140 V C 2.091 178.169 176.094 -0.027 0.000 1.390 1140 V CA 1.470 63.747 62.300 -0.038 0.000 1.231 1140 V CB -0.404 31.389 31.823 -0.051 0.000 1.025 1140 V HN 0.861 nan 8.190 nan 0.000 0.461 1141 G N 0.969 109.734 108.800 -0.059 0.000 2.655 1141 G HA2 0.019 3.981 3.960 0.002 0.000 0.217 1141 G HA3 0.019 3.981 3.960 0.002 0.000 0.217 1141 G C 1.561 176.411 174.900 -0.084 0.000 1.279 1141 G CA 0.641 45.716 45.100 -0.041 0.000 0.870 1141 G HN 0.402 nan 8.290 nan 0.000 0.560 1142 R N 0.020 120.337 120.500 -0.305 0.000 2.105 1142 R HA -0.060 4.281 4.340 0.002 0.000 0.239 1142 R C 2.771 178.916 176.300 -0.257 0.000 1.135 1142 R CA 1.716 57.435 56.100 -0.636 0.000 0.967 1142 R CB -0.928 28.640 30.300 -1.221 0.000 0.861 1142 R HN 0.289 nan 8.270 nan 0.000 0.442 1143 T N 0.256 114.711 114.554 -0.165 0.000 2.635 1143 T HA -0.168 4.184 4.350 0.002 0.000 0.267 1143 T C 1.965 176.683 174.700 0.029 0.000 1.040 1143 T CA 1.742 63.810 62.100 -0.053 0.000 1.156 1143 T CB -0.644 68.189 68.868 -0.057 0.000 0.863 1143 T HN 0.581 nan 8.240 nan 0.000 0.430 1144 G N 0.753 109.568 108.800 0.025 0.000 2.422 1144 G HA2 -0.208 3.754 3.960 0.002 0.000 0.218 1144 G HA3 -0.208 3.754 3.960 0.002 0.000 0.218 1144 G C 1.722 176.676 174.900 0.089 0.000 1.146 1144 G CA 1.474 46.603 45.100 0.049 0.000 0.769 1144 G HN 0.468 nan 8.290 nan 0.000 0.547 1145 T N 0.769 115.417 114.554 0.157 0.000 2.674 1145 T HA -0.147 4.205 4.350 0.002 0.000 0.265 1145 T C 1.933 176.763 174.700 0.217 0.000 1.039 1145 T CA 1.220 63.468 62.100 0.247 0.000 1.150 1145 T CB -0.367 68.773 68.868 0.452 0.000 0.864 1145 T HN 0.281 nan 8.240 nan 0.000 0.427 1146 F N 1.570 121.597 119.950 0.128 0.000 2.095 1146 F HA -0.106 4.423 4.527 0.003 0.000 0.298 1146 F C 2.015 177.774 175.800 -0.068 0.000 1.104 1146 F CA 1.199 59.242 58.000 0.071 0.000 1.232 1146 F CB -0.410 38.634 39.000 0.073 0.000 0.987 1146 F HN 0.077 nan 8.300 nan 0.000 0.475 1147 I N 0.274 120.847 120.570 0.004 0.000 2.226 1147 I HA -0.317 3.855 4.170 0.002 0.000 0.245 1147 I C 2.713 178.664 176.117 -0.276 0.000 1.100 1147 I CA 1.129 62.227 61.300 -0.336 0.000 1.374 1147 I CB -0.895 36.821 38.000 -0.474 0.000 1.057 1147 I HN 0.304 nan 8.210 nan 0.000 0.413 1148 A N 0.738 123.472 122.820 -0.144 0.000 1.858 1148 A HA -0.198 4.124 4.320 0.002 0.000 0.216 1148 A C 2.138 179.612 177.584 -0.183 0.000 1.190 1148 A CA 1.487 53.457 52.037 -0.112 0.000 0.617 1148 A CB -0.793 18.185 19.000 -0.037 0.000 0.827 1148 A HN 0.274 nan 8.150 nan 0.000 0.443 1149 L N 0.302 121.390 121.223 -0.226 0.000 2.042 1149 L HA -0.184 4.157 4.340 0.002 0.000 0.210 1149 L C 2.171 178.834 176.870 -0.346 0.000 1.076 1149 L CA 2.350 57.019 54.840 -0.285 0.000 0.749 1149 L CB -1.114 40.773 42.059 -0.286 0.000 0.893 1149 L HN 0.538 nan 8.230 nan 0.000 0.432 1150 D N -0.553 119.557 120.400 -0.482 0.000 2.104 1150 D HA -0.190 4.451 4.640 0.002 0.000 0.194 1150 D C 2.349 178.518 176.300 -0.218 0.000 0.994 1150 D CA 1.349 55.103 54.000 -0.410 0.000 0.830 1150 D CB 0.107 40.615 40.800 -0.487 0.000 0.959 1150 D HN 0.178 nan 8.370 nan 0.000 0.452 1151 R N -0.495 119.925 120.500 -0.133 0.000 2.092 1151 R HA -0.008 4.333 4.340 0.002 0.000 0.231 1151 R C 2.592 178.786 176.300 -0.178 0.000 1.119 1151 R CA 0.773 56.832 56.100 -0.068 0.000 0.970 1151 R CB -0.303 30.029 30.300 0.054 0.000 0.864 1151 R HN 0.271 nan 8.270 nan 0.000 0.440 1152 L N 0.509 121.617 121.223 -0.192 0.000 2.093 1152 L HA -0.173 4.169 4.340 0.002 0.000 0.208 1152 L C 2.294 179.038 176.870 -0.210 0.000 1.085 1152 L CA 1.025 55.742 54.840 -0.207 0.000 0.755 1152 L CB -0.338 41.580 42.059 -0.236 0.000 0.904 1152 L HN 0.190 nan 8.230 nan 0.000 0.435 1153 L N -0.752 120.332 121.223 -0.232 0.000 2.012 1153 L HA -0.296 4.045 4.340 0.002 0.000 0.210 1153 L C 2.717 179.435 176.870 -0.253 0.000 1.073 1153 L CA 1.553 56.265 54.840 -0.214 0.000 0.748 1153 L CB -0.386 41.556 42.059 -0.195 0.000 0.891 1153 L HN 0.339 nan 8.230 nan 0.000 0.431 1154 Q N -1.537 118.033 119.800 -0.383 0.000 2.079 1154 Q HA -0.256 4.085 4.340 0.002 0.000 0.200 1154 Q C 2.088 177.694 176.000 -0.658 0.000 0.974 1154 Q CA 1.734 57.178 55.803 -0.599 0.000 0.840 1154 Q CB -0.236 27.926 28.738 -0.960 0.000 0.898 1154 Q HN 0.536 nan 8.270 nan 0.000 0.430 1155 H N 0.539 119.192 119.070 -0.696 0.000 2.321 1155 H HA -0.079 4.478 4.556 0.002 0.000 0.300 1155 H C 1.768 177.025 175.328 -0.118 0.000 1.087 1155 H CA 1.744 57.625 56.048 -0.278 0.000 1.319 1155 H CB 0.025 29.663 29.762 -0.206 0.000 1.379 1155 H HN 0.144 nan 8.280 nan 0.000 0.501 1156 I N 0.259 120.785 120.570 -0.074 0.000 2.614 1156 I HA -0.189 3.983 4.170 0.002 0.000 0.258 1156 I C 2.676 178.746 176.117 -0.078 0.000 1.189 1156 I CA 0.894 62.152 61.300 -0.070 0.000 1.462 1156 I CB -0.302 37.643 38.000 -0.092 0.000 1.092 1156 I HN 0.331 nan 8.210 nan 0.000 0.442 1157 R N 1.049 121.476 120.500 -0.122 0.000 2.092 1157 R HA -0.167 4.174 4.340 0.002 0.000 0.231 1157 R C 1.201 177.435 176.300 -0.110 0.000 1.119 1157 R CA 1.719 57.760 56.100 -0.098 0.000 0.970 1157 R CB 0.004 30.235 30.300 -0.115 0.000 0.864 1157 R HN 0.272 nan 8.270 nan 0.000 0.440 1158 D N -0.971 119.310 120.400 -0.199 0.000 2.346 1158 D HA 0.089 4.730 4.640 0.002 0.000 0.206 1158 D C -0.218 175.716 176.300 -0.611 0.000 1.001 1158 D CA 0.675 54.448 54.000 -0.380 0.000 0.871 1158 D CB 0.353 40.892 40.800 -0.436 0.000 0.943 1158 D HN 0.332 nan 8.370 nan 0.000 0.518 1159 H N -1.096 117.882 119.070 -0.152 0.000 2.985 1159 H HA 0.308 4.866 4.556 0.002 0.000 0.360 1159 H C 0.097 175.420 175.328 -0.009 0.000 1.221 1159 H CA -0.617 55.364 56.048 -0.112 0.000 1.121 1159 H CB 1.516 31.001 29.762 -0.461 0.000 1.854 1159 H HN -0.325 nan 8.280 nan 0.000 0.551 1160 E N 1.131 121.503 120.200 0.288 0.000 2.499 1160 E HA 0.127 4.478 4.350 0.002 0.000 0.199 1160 E C -0.753 175.959 176.600 0.187 0.000 1.016 1160 E CA -0.029 56.497 56.400 0.211 0.000 0.933 1160 E CB 0.226 30.052 29.700 0.210 0.000 1.050 1160 E HN 0.362 nan 8.360 nan 0.000 0.462 1161 F N -0.723 119.251 119.950 0.041 0.000 2.643 1161 F HA 0.685 5.213 4.527 0.002 0.000 0.314 1161 F C -0.826 175.012 175.800 0.064 0.000 1.096 1161 F CA -1.755 56.242 58.000 -0.006 0.000 0.953 1161 F CB 0.994 40.002 39.000 0.012 0.000 1.345 1161 F HN -0.259 nan 8.300 nan 0.000 0.468 1162 V N -0.633 119.163 119.914 -0.196 0.000 2.925 1162 V HA 0.670 4.791 4.120 0.002 0.000 0.311 1162 V C -1.931 174.072 176.094 -0.152 0.000 1.104 1162 V CA -0.546 61.518 62.300 -0.394 0.000 0.954 1162 V CB 1.749 33.330 31.823 -0.404 0.000 1.022 1162 V HN 0.936 nan 8.190 nan 0.000 0.427 1163 D N 2.062 122.330 120.400 -0.220 0.000 2.404 1163 D HA 0.499 5.141 4.640 0.002 0.000 0.267 1163 D C 0.628 176.894 176.300 -0.057 0.000 1.194 1163 D CA -0.333 53.640 54.000 -0.045 0.000 0.910 1163 D CB 1.166 41.987 40.800 0.034 0.000 1.090 1163 D HN 0.559 nan 8.370 nan 0.000 0.511 1164 I N 1.986 122.547 120.570 -0.015 0.000 2.353 1164 I HA -0.154 4.018 4.170 0.002 0.000 0.248 1164 I C 2.075 178.291 176.117 0.166 0.000 1.119 1164 I CA 0.338 61.626 61.300 -0.021 0.000 1.417 1164 I CB 0.063 37.933 38.000 -0.217 0.000 1.078 1164 I HN 0.342 nan 8.210 nan 0.000 0.421 1165 L N 1.173 122.555 121.223 0.264 0.000 2.017 1165 L HA -0.073 4.269 4.340 0.002 0.000 0.208 1165 L C 2.355 179.341 176.870 0.192 0.000 1.073 1165 L CA 2.212 57.250 54.840 0.330 0.000 0.745 1165 L CB -1.270 40.976 42.059 0.311 0.000 0.894 1165 L HN 0.190 nan 8.230 nan 0.000 0.432 1166 G N -0.444 108.433 108.800 0.129 0.000 2.440 1166 G HA2 -0.294 3.667 3.960 0.002 0.000 0.218 1166 G HA3 -0.294 3.667 3.960 0.002 0.000 0.218 1166 G C 1.579 176.533 174.900 0.090 0.000 1.154 1166 G CA 1.012 46.168 45.100 0.093 0.000 0.767 1166 G HN 0.433 nan 8.290 nan 0.000 0.552 1167 L N 0.882 122.148 121.223 0.071 0.000 2.017 1167 L HA 0.006 4.347 4.340 0.002 0.000 0.208 1167 L C 2.821 179.755 176.870 0.106 0.000 1.073 1167 L CA 1.621 56.496 54.840 0.058 0.000 0.745 1167 L CB -0.582 41.474 42.059 -0.006 0.000 0.894 1167 L HN 0.078 nan 8.230 nan 0.000 0.432 1168 V N -1.159 118.846 119.914 0.151 0.000 2.548 1168 V HA -0.184 3.937 4.120 0.002 0.000 0.249 1168 V C 2.721 178.892 176.094 0.129 0.000 1.055 1168 V CA 1.505 63.906 62.300 0.167 0.000 1.065 1168 V CB -0.645 31.339 31.823 0.269 0.000 0.681 1168 V HN 0.601 nan 8.190 nan 0.000 0.462 1169 S N -0.231 115.539 115.700 0.116 0.000 2.353 1169 S HA -0.311 4.161 4.470 0.002 0.000 0.222 1169 S C 2.117 176.796 174.600 0.132 0.000 1.035 1169 S CA 2.299 60.554 58.200 0.092 0.000 1.025 1169 S CB -0.255 62.993 63.200 0.079 0.000 0.902 1169 S HN 0.739 nan 8.310 nan 0.000 0.440 1170 E N -0.031 120.262 120.200 0.155 0.000 2.058 1170 E HA -0.167 4.184 4.350 0.002 0.000 0.194 1170 E C 2.207 179.002 176.600 0.325 0.000 0.997 1170 E CA 1.412 57.950 56.400 0.231 0.000 0.801 1170 E CB -0.220 29.596 29.700 0.194 0.000 0.746 1170 E HN 0.575 nan 8.360 nan 0.000 0.450 1171 M N -0.163 119.575 119.600 0.232 0.000 2.149 1171 M HA -0.154 4.327 4.480 0.002 0.000 0.261 1171 M C 2.347 178.816 176.300 0.283 0.000 1.064 1171 M CA 1.401 56.845 55.300 0.240 0.000 1.102 1171 M CB -0.177 32.506 32.600 0.138 0.000 1.369 1171 M HN 0.014 nan 8.290 nan 0.000 0.408 1172 R N -0.562 120.070 120.500 0.220 0.000 2.280 1172 R HA -0.005 4.337 4.340 0.002 0.000 0.207 1172 R C 2.024 178.520 176.300 0.326 0.000 1.043 1172 R CA 0.782 57.011 56.100 0.215 0.000 1.006 1172 R CB -0.075 30.295 30.300 0.116 0.000 0.885 1172 R HN 0.252 nan 8.270 nan 0.000 0.467 1173 S N -0.670 115.205 115.700 0.293 0.000 2.489 1173 S HA -0.027 4.445 4.470 0.002 0.000 0.228 1173 S C 0.811 175.571 174.600 0.268 0.000 0.995 1173 S CA 0.713 59.022 58.200 0.182 0.000 0.934 1173 S CB 0.067 63.288 63.200 0.035 0.000 0.771 1173 S HN 0.369 nan 8.310 nan 0.000 0.522 1174 Y N 0.590 121.168 120.300 0.462 0.000 2.524 1174 Y HA 0.384 4.935 4.550 0.002 0.000 0.270 1174 Y C 1.020 177.058 175.900 0.229 0.000 1.094 1174 Y CA -0.052 58.277 58.100 0.382 0.000 1.276 1174 Y CB 0.521 39.118 38.460 0.228 0.000 1.130 1174 Y HN -0.029 nan 8.280 nan 0.000 0.536 1175 R N 0.999 121.645 120.500 0.243 0.000 2.536 1175 R HA 0.323 4.664 4.340 0.002 0.000 0.269 1175 R C -1.016 175.173 176.300 -0.185 0.000 1.113 1175 R CA -0.685 55.303 56.100 -0.187 0.000 0.948 1175 R CB 1.104 31.356 30.300 -0.079 0.000 1.237 1175 R HN 0.109 nan 8.270 nan 0.000 0.441 1176 M N 2.274 121.593 119.600 -0.469 0.000 2.249 1176 M HA 0.202 4.684 4.480 0.002 0.000 0.340 1176 M C -0.187 176.062 176.300 -0.085 0.000 1.166 1176 M CA 0.717 55.914 55.300 -0.172 0.000 1.115 1176 M CB 0.974 33.463 32.600 -0.185 0.000 1.606 1176 M HN 0.761 nan 8.290 nan 0.000 0.448 1177 S N 0.664 116.349 115.700 -0.025 0.000 3.482 1177 S HA -0.080 4.392 4.470 0.002 0.000 0.294 1177 S C 0.038 174.645 174.600 0.012 0.000 1.244 1177 S CA 0.570 58.757 58.200 -0.022 0.000 0.911 1177 S CB -1.394 61.779 63.200 -0.045 0.000 1.070 1177 S HN 0.799 nan 8.310 nan 0.000 0.614 1178 M N 1.539 121.157 119.600 0.030 0.000 2.269 1178 M HA 0.192 4.674 4.480 0.002 0.000 0.350 1178 M C 0.880 177.249 176.300 0.115 0.000 1.429 1178 M CA 0.717 56.053 55.300 0.060 0.000 1.063 1178 M CB -0.214 32.428 32.600 0.071 0.000 1.841 1178 M HN 0.416 nan 8.290 nan 0.000 0.455 1179 V N 3.452 123.450 119.914 0.140 0.000 3.964 1179 V HA -0.231 3.890 4.120 0.002 0.000 0.444 1179 V C 1.097 177.356 176.094 0.275 0.000 0.680 1179 V CA 0.743 63.180 62.300 0.229 0.000 1.854 1179 V CB -1.554 30.469 31.823 0.332 0.000 2.264 1179 V HN 1.048 nan 8.190 nan 0.000 0.491 1180 Q N 1.918 121.835 119.800 0.195 0.000 2.212 1180 Q HA 0.002 4.343 4.340 0.002 0.000 0.199 1180 Q C 1.044 177.220 176.000 0.293 0.000 0.950 1180 Q CA 1.545 57.453 55.803 0.175 0.000 0.863 1180 Q CB 0.502 29.272 28.738 0.054 0.000 0.944 1180 Q HN 1.072 nan 8.270 nan 0.000 0.465 1181 T N -3.837 110.824 114.554 0.178 0.000 2.907 1181 T HA 0.243 4.594 4.350 0.002 0.000 0.292 1181 T C 0.391 174.799 174.700 -0.487 0.000 1.043 1181 T CA -0.798 61.268 62.100 -0.056 0.000 1.003 1181 T CB 1.738 70.597 68.868 -0.015 0.000 1.084 1181 T HN 0.152 nan 8.240 nan 0.000 0.483 1182 E N 0.500 120.162 120.200 -0.897 0.000 2.085 1182 E HA -0.248 4.103 4.350 0.002 0.000 0.194 1182 E C 1.823 178.231 176.600 -0.320 0.000 0.994 1182 E CA 1.715 57.592 56.400 -0.872 0.000 0.801 1182 E CB -0.026 29.325 29.700 -0.581 0.000 0.743 1182 E HN 0.887 nan 8.360 nan 0.000 0.453 1183 E N 0.391 120.478 120.200 -0.189 0.000 2.097 1183 E HA -0.310 4.041 4.350 0.002 0.000 0.196 1183 E C 2.062 178.678 176.600 0.027 0.000 1.000 1183 E CA 1.627 57.983 56.400 -0.072 0.000 0.804 1183 E CB -0.113 29.577 29.700 -0.017 0.000 0.740 1183 E HN 0.364 nan 8.360 nan 0.000 0.454 1184 Q N -0.837 119.015 119.800 0.087 0.000 2.084 1184 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 1184 Q C 2.014 178.176 176.000 0.269 0.000 0.978 1184 Q CA 1.639 57.586 55.803 0.241 0.000 0.844 1184 Q CB -0.287 28.607 28.738 0.260 0.000 0.898 1184 Q HN 0.414 nan 8.270 nan 0.000 0.426 1185 Y N 1.139 121.457 120.300 0.030 0.000 2.181 1185 Y HA -0.210 4.342 4.550 0.003 0.000 0.288 1185 Y C 1.805 177.771 175.900 0.110 0.000 1.146 1185 Y CA 1.287 59.452 58.100 0.110 0.000 1.164 1185 Y CB -0.126 38.376 38.460 0.071 0.000 0.982 1185 Y HN 0.037 nan 8.280 nan 0.000 0.515 1186 I N -1.367 119.095 120.570 -0.180 0.000 2.252 1186 I HA -0.299 3.872 4.170 0.002 0.000 0.245 1186 I C 2.206 178.259 176.117 -0.107 0.000 1.102 1186 I CA 1.368 62.367 61.300 -0.502 0.000 1.385 1186 I CB -0.646 36.949 38.000 -0.674 0.000 1.064 1186 I HN 0.188 nan 8.210 nan 0.000 0.414 1187 F N 2.009 121.891 119.950 -0.113 0.000 2.154 1187 F HA -0.246 4.282 4.527 0.002 0.000 0.301 1187 F C 2.224 178.014 175.800 -0.016 0.000 1.087 1187 F CA 1.510 59.480 58.000 -0.050 0.000 1.274 1187 F CB -0.407 38.579 39.000 -0.024 0.000 1.009 1187 F HN -0.068 nan 8.300 nan 0.000 0.485 1188 I N -0.602 119.910 120.570 -0.097 0.000 2.208 1188 I HA -0.362 3.809 4.170 0.002 0.000 0.245 1188 I C 2.319 178.319 176.117 -0.195 0.000 1.097 1188 I CA 1.740 62.909 61.300 -0.219 0.000 1.363 1188 I CB -0.659 37.266 38.000 -0.125 0.000 1.051 1188 I HN 0.124 nan 8.210 nan 0.000 0.413 1189 H N -0.173 118.831 119.070 -0.110 0.000 2.353 1189 H HA -0.221 4.337 4.556 0.002 0.000 0.300 1189 H C 2.209 177.614 175.328 0.129 0.000 1.090 1189 H CA 1.754 57.873 56.048 0.118 0.000 1.327 1189 H CB -0.152 29.672 29.762 0.103 0.000 1.383 1189 H HN 0.370 nan 8.280 nan 0.000 0.508 1190 Q N 0.117 119.971 119.800 0.091 0.000 2.084 1190 Q HA -0.171 4.171 4.340 0.002 0.000 0.202 1190 Q C 2.016 177.968 176.000 -0.080 0.000 0.978 1190 Q CA 1.866 57.688 55.803 0.032 0.000 0.844 1190 Q CB -0.256 28.494 28.738 0.020 0.000 0.898 1190 Q HN 0.496 nan 8.270 nan 0.000 0.426 1191 C N -0.249 118.872 119.300 -0.298 0.000 2.440 1191 C HA -0.057 4.404 4.460 0.002 0.000 0.278 1191 C C 2.672 177.545 174.990 -0.196 0.000 1.295 1191 C CA 0.500 59.319 59.018 -0.332 0.000 1.738 1191 C CB -0.787 26.631 27.740 -0.536 0.000 1.987 1191 C HN 0.437 nan 8.230 nan 0.000 0.492 1192 V N 0.212 120.022 119.914 -0.174 0.000 2.407 1192 V HA -0.244 3.877 4.120 0.002 0.000 0.248 1192 V C 2.760 178.782 176.094 -0.121 0.000 1.055 1192 V CA 2.236 64.395 62.300 -0.235 0.000 1.049 1192 V CB -1.021 30.534 31.823 -0.446 0.000 0.662 1192 V HN 0.681 nan 8.190 nan 0.000 0.455 1193 Q N -0.619 119.261 119.800 0.134 0.000 2.135 1193 Q HA -0.218 4.124 4.340 0.002 0.000 0.204 1193 Q C 2.193 178.274 176.000 0.136 0.000 0.981 1193 Q CA 1.901 57.858 55.803 0.257 0.000 0.856 1193 Q CB -0.489 28.442 28.738 0.322 0.000 0.902 1193 Q HN 0.671 nan 8.270 nan 0.000 0.425 1194 L N -0.051 121.191 121.223 0.033 0.000 2.056 1194 L HA 0.010 4.351 4.340 0.002 0.000 0.207 1194 L C 2.553 179.394 176.870 -0.048 0.000 1.078 1194 L CA 2.018 56.848 54.840 -0.018 0.000 0.749 1194 L CB -0.827 41.202 42.059 -0.051 0.000 0.901 1194 L HN 0.394 nan 8.230 nan 0.000 0.433 1195 M N -2.224 117.336 119.600 -0.067 0.000 2.106 1195 M HA -0.324 4.158 4.480 0.002 0.000 0.259 1195 M C 2.300 178.587 176.300 -0.021 0.000 1.068 1195 M CA 2.030 57.282 55.300 -0.081 0.000 1.100 1195 M CB -0.649 31.878 32.600 -0.121 0.000 1.351 1195 M HN 0.489 nan 8.290 nan 0.000 0.404 1196 W N 1.126 122.305 121.300 -0.201 0.000 2.379 1196 W HA -0.217 4.444 4.660 0.002 0.000 0.307 1196 W C 2.029 178.443 176.519 -0.174 0.000 1.200 1196 W CA 0.853 58.083 57.345 -0.191 0.000 1.297 1196 W CB -0.042 29.329 29.460 -0.148 0.000 1.140 1196 W HN 0.155 nan 8.180 nan 0.000 0.507 1197 M N 1.231 120.722 119.600 -0.182 0.000 2.106 1197 M HA -0.230 4.251 4.480 0.002 0.000 0.259 1197 M C 1.864 177.968 176.300 -0.327 0.000 1.068 1197 M CA 1.840 56.956 55.300 -0.307 0.000 1.100 1197 M CB -1.351 31.163 32.600 -0.143 0.000 1.351 1197 M HN 0.030 nan 8.290 nan 0.000 0.404 1198 K N -0.310 119.948 120.400 -0.235 0.000 2.057 1198 K HA -0.141 4.180 4.320 0.002 0.000 0.206 1198 K C 2.121 178.536 176.600 -0.309 0.000 1.050 1198 K CA 0.994 57.147 56.287 -0.223 0.000 0.935 1198 K CB -0.148 32.255 32.500 -0.162 0.000 0.715 1198 K HN 0.260 nan 8.250 nan 0.000 0.439 1199 K N 1.660 121.840 120.400 -0.367 0.000 2.057 1199 K HA -0.182 4.140 4.320 0.002 0.000 0.207 1199 K C 1.894 177.902 176.600 -0.987 0.000 1.049 1199 K CA 1.543 57.508 56.287 -0.535 0.000 0.931 1199 K CB 0.080 32.344 32.500 -0.392 0.000 0.714 1199 K HN -0.057 nan 8.250 nan 0.000 0.440 1200 K N 0.446 120.215 120.400 -1.051 0.000 2.147 1200 K HA -0.171 4.150 4.320 0.002 0.000 0.205 1200 K C 2.191 178.508 176.600 -0.470 0.000 1.049 1200 K CA 1.593 57.300 56.287 -0.966 0.000 0.936 1200 K CB 0.077 32.049 32.500 -0.879 0.000 0.722 1200 K HN 0.242 nan 8.250 nan 0.000 0.446 1201 Q N -0.373 119.209 119.800 -0.362 0.000 2.079 1201 Q HA -0.190 4.151 4.340 0.002 0.000 0.200 1201 Q C 2.323 178.237 176.000 -0.144 0.000 0.974 1201 Q CA 1.578 57.261 55.803 -0.199 0.000 0.840 1201 Q CB 0.011 28.649 28.738 -0.167 0.000 0.898 1201 Q HN 0.169 nan 8.270 nan 0.000 0.430 1202 Q N -0.200 119.485 119.800 -0.193 0.000 2.135 1202 Q HA -0.154 4.187 4.340 0.002 0.000 0.204 1202 Q C 1.929 177.969 176.000 0.067 0.000 0.981 1202 Q CA 1.226 56.976 55.803 -0.088 0.000 0.856 1202 Q CB -0.518 28.151 28.738 -0.115 0.000 0.902 1202 Q HN 0.484 nan 8.270 nan 0.000 0.425 1203 F N -0.152 119.746 119.950 -0.087 0.000 2.307 1203 F HA -0.127 4.401 4.527 0.002 0.000 0.301 1203 F C 2.195 177.960 175.800 -0.057 0.000 1.076 1203 F CA -0.286 57.672 58.000 -0.070 0.000 1.383 1203 F CB -1.203 37.742 39.000 -0.091 0.000 1.055 1203 F HN 0.297 nan 8.300 nan 0.000 0.526 1204 C N 0.222 119.589 119.300 0.112 0.000 2.576 1204 C HA 0.135 4.596 4.460 0.002 0.000 0.267 1204 C C 1.040 176.048 174.990 0.029 0.000 1.364 1204 C CA -0.401 58.645 59.018 0.048 0.000 1.723 1204 C CB -1.483 26.264 27.740 0.012 0.000 1.778 1204 C HN -0.041 nan 8.230 nan 0.000 0.572 1205 I N 1.413 122.006 120.570 0.038 0.000 2.354 1205 I HA 0.242 4.414 4.170 0.002 0.000 0.292 1205 I C 0.290 176.423 176.117 0.026 0.000 0.989 1205 I CA 0.324 61.637 61.300 0.022 0.000 1.188 1205 I CB 1.232 39.241 38.000 0.015 0.000 1.342 1205 I HN 0.063 nan 8.210 nan 0.000 0.457 1206 S N 5.177 120.884 115.700 0.012 0.000 2.520 1206 S HA 0.378 4.849 4.470 0.002 0.000 0.324 1206 S C 0.060 174.662 174.600 0.002 0.000 1.069 1206 S CA -0.588 57.615 58.200 0.004 0.000 1.121 1206 S CB 0.737 63.935 63.200 -0.003 0.000 0.971 1206 S HN 0.507 nan 8.310 nan 0.000 0.463 1207 D N 3.626 124.028 120.400 0.003 0.000 2.431 1207 D HA 0.276 4.917 4.640 0.002 0.000 0.227 1207 D C 1.075 177.373 176.300 -0.003 0.000 1.030 1207 D CA 0.955 54.956 54.000 0.001 0.000 0.897 1207 D CB 0.544 41.346 40.800 0.004 0.000 1.058 1207 D HN 0.596 nan 8.370 nan 0.000 0.500 1208 V N 0.000 119.911 119.914 -0.005 0.000 2.409 1208 V HA 0.000 4.121 4.120 0.002 0.000 0.244 1208 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 1208 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 1208 V HN 0.000 nan 8.190 nan 0.000 0.556