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 2nz6_1_A DATA FIRST_RESID -21 DATA SEQUENCE HHHHHHSSGV DLGTENLYFQ SMXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX KLIRVENFEA DATA SEQUENCE YFKKQQADSN CGFAEEYEDL KLVGISQPKY AAELAENRGK NRYNNVLPYD DATA SEQUENCE ISRVKLSVQT HSTDDYINAN YMPGYHSKKD FIATQGPLPN TLKDFWRMVW DATA SEQUENCE EKNVYAIIML TKXXXXXXXX XXEYWPSKQA QDYGDITVAM TSEIVLPEWT DATA SEQUENCE IRDFTVKNIQ TSESHPLRQF HFTSWPDHGV PDTTDLLINF RYLVRDYMXX DATA SEQUENCE XXXESPILVH SSAGVGRTGT FIAIDRLIYQ IENENTVDVY GIVYDLRMHR DATA SEQUENCE PLMVQTEDQY VFLNQCVLDI VRSQKXXXXD LIY 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 -21 H HA 0.000 nan 4.556 nan 0.000 0.296 -21 H C 0.000 175.463 175.328 0.226 0.000 0.993 -21 H CA 0.000 56.152 56.048 0.173 0.000 1.023 -21 H CB 0.000 29.830 29.762 0.113 0.000 1.292 -20 H N 0.679 119.836 119.070 0.145 0.000 2.553 -20 H HA 0.106 4.672 4.556 0.017 0.000 0.265 -20 H C -0.116 175.357 175.328 0.243 0.000 0.964 -20 H CA 0.040 56.227 56.048 0.232 0.000 1.156 -20 H CB -0.641 29.185 29.762 0.106 0.000 1.411 -20 H HN 0.479 nan 8.280 nan 0.000 0.558 -19 H N 2.865 121.685 119.070 -0.417 0.000 2.944 -19 H HA 0.183 4.749 4.556 0.017 0.000 0.278 -19 H C -0.082 175.208 175.328 -0.064 0.000 1.083 -19 H CA -0.112 55.718 56.048 -0.363 0.000 1.479 -19 H CB -0.010 29.564 29.762 -0.314 0.000 1.486 -19 H HN 0.517 nan 8.280 nan 0.000 0.493 -18 H N 2.789 121.761 119.070 -0.162 0.000 3.016 -18 H HA 0.275 4.841 4.556 0.017 0.000 0.362 -18 H C -1.183 174.133 175.328 -0.021 0.000 1.233 -18 H CA -1.017 54.992 56.048 -0.066 0.000 1.124 -18 H CB 1.013 30.704 29.762 -0.118 0.000 1.850 -18 H HN 0.683 nan 8.280 nan 0.000 0.549 -17 H N 1.365 120.365 119.070 -0.116 0.000 2.457 -17 H HA 0.237 4.803 4.556 0.017 0.000 0.335 -17 H C -0.196 175.099 175.328 -0.054 0.000 1.115 -17 H CA -0.875 55.101 56.048 -0.119 0.000 1.219 -17 H CB 1.549 31.256 29.762 -0.092 0.000 1.471 -17 H HN 0.445 nan 8.280 nan 0.000 0.491 -16 H N 1.356 120.662 119.070 0.392 0.000 2.525 -16 H HA 0.125 4.691 4.556 0.017 0.000 0.339 -16 H C 0.164 175.645 175.328 0.255 0.000 1.109 -16 H CA -0.295 55.944 56.048 0.318 0.000 1.352 -16 H CB 1.386 31.312 29.762 0.273 0.000 1.461 -16 H HN 0.599 nan 8.280 nan 0.000 0.533 -15 S N 1.297 117.186 115.700 0.316 0.000 2.589 -15 S HA 0.074 4.554 4.470 0.017 0.000 0.265 -15 S C 0.403 175.109 174.600 0.177 0.000 1.342 -15 S CA -0.771 57.547 58.200 0.197 0.000 1.005 -15 S CB 0.470 63.754 63.200 0.139 0.000 0.909 -15 S HN 0.708 nan 8.310 nan 0.000 0.555 -14 S N 0.420 116.191 115.700 0.118 0.000 2.579 -14 S HA 0.498 4.978 4.470 0.017 0.000 0.275 -14 S C 1.179 175.811 174.600 0.053 0.000 1.345 -14 S CA -0.193 58.056 58.200 0.082 0.000 1.031 -14 S CB 0.294 63.525 63.200 0.051 0.000 0.892 -14 S HN 1.734 nan 8.310 nan 0.000 0.529 -13 G N 0.381 109.198 108.800 0.029 0.000 2.136 -13 G HA2 -0.221 3.749 3.960 0.017 0.000 0.242 -13 G HA3 -0.221 3.749 3.960 0.017 0.000 0.242 -13 G C 0.313 175.213 174.900 -0.001 0.000 0.989 -13 G CA 0.131 45.237 45.100 0.011 0.000 0.682 -13 G HN 0.863 nan 8.290 nan 0.000 0.522 -12 V N -0.763 119.143 119.914 -0.013 0.000 2.743 -12 V HA 0.329 4.459 4.120 0.017 0.000 0.237 -12 V C 0.668 176.692 176.094 -0.116 0.000 1.113 -12 V CA 1.607 63.871 62.300 -0.060 0.000 1.141 -12 V CB 0.725 32.504 31.823 -0.072 0.000 0.873 -12 V HN 0.408 nan 8.190 nan 0.000 0.486 -11 D N -0.597 119.721 120.400 -0.137 0.000 2.602 -11 D HA 0.300 4.950 4.640 0.017 0.000 0.245 -11 D C 0.503 176.739 176.300 -0.107 0.000 1.325 -11 D CA -0.243 53.673 54.000 -0.139 0.000 0.952 -11 D CB 1.795 42.469 40.800 -0.209 0.000 1.317 -11 D HN 0.020 nan 8.370 nan 0.000 0.577 -10 L N 2.415 123.594 121.223 -0.072 0.000 2.201 -10 L HA 0.036 4.386 4.340 0.017 0.000 0.212 -10 L C 2.439 179.277 176.870 -0.054 0.000 1.105 -10 L CA 1.261 56.072 54.840 -0.048 0.000 0.775 -10 L CB -0.088 41.955 42.059 -0.027 0.000 0.913 -10 L HN 0.491 nan 8.230 nan 0.000 0.440 -9 G N -0.232 108.520 108.800 -0.079 0.000 2.446 -9 G HA2 -0.259 3.711 3.960 0.017 0.000 0.217 -9 G HA3 -0.259 3.711 3.960 0.017 0.000 0.217 -9 G C 1.570 176.401 174.900 -0.114 0.000 1.168 -9 G CA 1.405 46.455 45.100 -0.084 0.000 0.771 -9 G HN 0.303 nan 8.290 nan 0.000 0.551 -8 T N 0.752 115.188 114.554 -0.197 0.000 2.821 -8 T HA -0.031 4.329 4.350 0.017 0.000 0.267 -8 T C 2.143 176.489 174.700 -0.591 0.000 1.046 -8 T CA 1.429 63.291 62.100 -0.396 0.000 1.139 -8 T CB -0.130 68.512 68.868 -0.377 0.000 0.871 -8 T HN 0.466 nan 8.240 nan 0.000 0.454 -7 E N 1.107 121.134 120.200 -0.288 0.000 2.077 -7 E HA -0.121 4.239 4.350 0.017 0.000 0.193 -7 E C 2.365 178.995 176.600 0.050 0.000 0.989 -7 E CA 0.623 56.962 56.400 -0.103 0.000 0.800 -7 E CB -0.163 29.536 29.700 -0.002 0.000 0.746 -7 E HN 0.430 nan 8.360 nan 0.000 0.452 -6 N N 0.996 119.738 118.700 0.069 0.000 2.104 -6 N HA -0.188 4.562 4.740 0.017 0.000 0.190 -6 N C 2.117 177.717 175.510 0.150 0.000 1.024 -6 N CA 0.759 53.919 53.050 0.185 0.000 0.853 -6 N CB -0.021 38.574 38.487 0.180 0.000 1.008 -6 N HN 0.072 nan 8.380 nan 0.000 0.424 -5 L N 0.933 122.188 121.223 0.053 0.000 2.013 -5 L HA -0.203 4.147 4.340 0.017 0.000 0.212 -5 L C 1.895 178.797 176.870 0.053 0.000 1.073 -5 L CA 1.683 56.514 54.840 -0.016 0.000 0.753 -5 L CB -0.957 41.059 42.059 -0.071 0.000 0.890 -5 L HN 0.214 nan 8.230 nan 0.000 0.432 -4 Y N -1.587 118.742 120.300 0.048 0.000 2.293 -4 Y HA -0.189 4.371 4.550 0.017 0.000 0.291 -4 Y C 2.314 178.284 175.900 0.116 0.000 1.137 -4 Y CA 1.080 59.206 58.100 0.043 0.000 1.202 -4 Y CB -1.025 37.463 38.460 0.046 0.000 0.990 -4 Y HN 0.320 nan 8.280 nan 0.000 0.537 -3 F N 0.432 120.458 119.950 0.127 0.000 2.164 -3 F HA 0.156 4.693 4.527 0.017 0.000 0.287 -3 F C 1.504 177.321 175.800 0.029 0.000 1.086 -3 F CA 1.221 59.265 58.000 0.072 0.000 1.249 -3 F CB 0.072 39.115 39.000 0.071 0.000 1.059 -3 F HN -0.012 nan 8.300 nan 0.000 0.490 -2 Q N 0.313 119.992 119.800 -0.201 0.000 3.394 -2 Q HA 0.348 4.698 4.340 0.017 0.000 0.285 -2 Q C -0.245 175.669 176.000 -0.143 0.000 0.866 -2 Q CA 0.104 55.704 55.803 -0.339 0.000 0.844 -2 Q CB -0.304 28.075 28.738 -0.599 0.000 1.472 -2 Q HN 0.386 nan 8.270 nan 0.000 0.401 -1 S N -1.192 114.328 115.700 -0.299 0.000 2.663 -1 S HA 0.597 5.077 4.470 0.017 0.000 0.243 -1 S C 0.359 174.797 174.600 -0.269 0.000 1.009 -1 S CA 0.301 58.022 58.200 -0.799 0.000 0.988 -1 S CB -0.489 61.936 63.200 -1.292 0.000 0.896 -1 S HN 0.992 nan 8.310 nan 0.000 0.502 1020 L N 5.757 126.972 121.223 -0.013 0.000 2.290 1020 L HA 0.492 4.842 4.340 0.017 0.000 0.284 1020 L C -0.756 176.085 176.870 -0.049 0.000 1.078 1020 L CA -0.183 54.649 54.840 -0.012 0.000 0.815 1020 L CB 0.748 42.806 42.059 -0.003 0.000 1.162 1020 L HN 0.522 nan 8.230 nan 0.000 0.435 1021 I N 5.760 126.303 120.570 -0.046 0.000 2.447 1021 I HA 0.396 4.576 4.170 0.017 0.000 0.287 1021 I C 0.357 176.489 176.117 0.024 0.000 1.023 1021 I CA -0.656 60.612 61.300 -0.053 0.000 1.083 1021 I CB 1.666 39.586 38.000 -0.134 0.000 1.245 1021 I HN 0.539 nan 8.210 nan 0.000 0.434 1022 R N 3.171 123.689 120.500 0.030 0.000 2.543 1022 R HA 0.138 4.488 4.340 0.017 0.000 0.277 1022 R C 1.490 177.841 176.300 0.085 0.000 1.074 1022 R CA -0.186 55.938 56.100 0.040 0.000 1.076 1022 R CB 1.547 31.866 30.300 0.032 0.000 0.993 1022 R HN 0.655 nan 8.270 nan 0.000 0.459 1023 V N 1.131 121.075 119.914 0.051 0.000 2.392 1023 V HA -0.242 3.888 4.120 0.017 0.000 0.249 1023 V C 1.967 178.131 176.094 0.116 0.000 1.059 1023 V CA 1.932 64.271 62.300 0.065 0.000 1.051 1023 V CB -0.588 31.224 31.823 -0.017 0.000 0.658 1023 V HN 0.858 nan 8.190 nan 0.000 0.455 1024 E N 1.303 121.550 120.200 0.077 0.000 2.219 1024 E HA -0.261 4.099 4.350 0.017 0.000 0.198 1024 E C 1.264 177.921 176.600 0.095 0.000 0.998 1024 E CA 1.841 58.285 56.400 0.073 0.000 0.818 1024 E CB -0.765 28.963 29.700 0.046 0.000 0.741 1024 E HN 0.716 nan 8.360 nan 0.000 0.477 1025 N N -0.468 118.302 118.700 0.117 0.000 2.236 1025 N HA 0.071 4.821 4.740 0.017 0.000 0.196 1025 N C 0.912 176.535 175.510 0.188 0.000 1.114 1025 N CA -0.086 53.037 53.050 0.122 0.000 0.859 1025 N CB -0.153 38.385 38.487 0.085 0.000 0.982 1025 N HN 0.111 nan 8.380 nan 0.000 0.493 1026 F N 2.200 122.210 119.950 0.100 0.000 2.206 1026 F HA 0.021 4.558 4.527 0.017 0.000 0.298 1026 F C 2.027 177.985 175.800 0.264 0.000 1.090 1026 F CA 1.275 59.385 58.000 0.185 0.000 1.323 1026 F CB 0.315 39.389 39.000 0.124 0.000 1.028 1026 F HN -0.018 nan 8.300 nan 0.000 0.492 1027 E N 0.061 120.406 120.200 0.241 0.000 2.077 1027 E HA -0.204 4.156 4.350 0.017 0.000 0.193 1027 E C 2.344 178.999 176.600 0.093 0.000 0.989 1027 E CA 1.033 57.518 56.400 0.143 0.000 0.800 1027 E CB -0.381 29.386 29.700 0.112 0.000 0.746 1027 E HN 0.470 nan 8.360 nan 0.000 0.452 1028 A N 0.835 123.705 122.820 0.084 0.000 1.930 1028 A HA -0.197 4.133 4.320 0.017 0.000 0.217 1028 A C 2.043 179.640 177.584 0.022 0.000 1.175 1028 A CA 1.310 53.378 52.037 0.052 0.000 0.627 1028 A CB -0.690 18.341 19.000 0.053 0.000 0.815 1028 A HN 0.450 nan 8.150 nan 0.000 0.443 1029 Y N -1.027 119.207 120.300 -0.111 0.000 2.200 1029 Y HA -0.154 4.406 4.550 0.017 0.000 0.290 1029 Y C 1.933 177.669 175.900 -0.272 0.000 1.137 1029 Y CA 1.751 59.738 58.100 -0.189 0.000 1.163 1029 Y CB -0.504 37.846 38.460 -0.184 0.000 0.988 1029 Y HN 0.297 nan 8.280 nan 0.000 0.518 1030 F N 1.359 121.026 119.950 -0.471 0.000 2.134 1030 F HA -0.151 4.386 4.527 0.017 0.000 0.299 1030 F C 2.560 178.170 175.800 -0.317 0.000 1.097 1030 F CA 2.179 59.923 58.000 -0.425 0.000 1.264 1030 F CB -0.417 38.434 39.000 -0.249 0.000 1.001 1030 F HN -0.009 nan 8.300 nan 0.000 0.479 1031 K N 0.710 121.138 120.400 0.046 0.000 2.044 1031 K HA -0.289 4.042 4.320 0.017 0.000 0.210 1031 K C 2.361 178.831 176.600 -0.217 0.000 1.049 1031 K CA 1.871 58.149 56.287 -0.014 0.000 0.927 1031 K CB -0.316 32.199 32.500 0.024 0.000 0.713 1031 K HN 0.243 nan 8.250 nan 0.000 0.443 1032 K N 0.026 120.248 120.400 -0.297 0.000 2.057 1032 K HA -0.155 4.176 4.320 0.017 0.000 0.207 1032 K C 2.048 178.335 176.600 -0.521 0.000 1.049 1032 K CA 1.366 57.450 56.287 -0.338 0.000 0.931 1032 K CB 0.126 32.450 32.500 -0.294 0.000 0.714 1032 K HN 0.196 nan 8.250 nan 0.000 0.440 1033 Q N 0.138 119.403 119.800 -0.891 0.000 2.311 1033 Q HA -0.145 4.205 4.340 0.017 0.000 0.203 1033 Q C 1.852 177.141 176.000 -1.185 0.000 0.954 1033 Q CA 1.180 56.205 55.803 -1.297 0.000 0.885 1033 Q CB 0.233 27.593 28.738 -2.297 0.000 0.963 1033 Q HN 0.591 nan 8.270 nan 0.000 0.471 1034 Q N -0.332 118.948 119.800 -0.865 0.000 2.398 1034 Q HA 0.268 4.618 4.340 0.017 0.000 0.204 1034 Q C 0.483 176.358 176.000 -0.209 0.000 0.932 1034 Q CA 0.469 56.022 55.803 -0.417 0.000 0.916 1034 Q CB 0.010 28.524 28.738 -0.373 0.000 1.024 1034 Q HN 0.090 nan 8.270 nan 0.000 0.504 1035 A N 1.662 124.346 122.820 -0.227 0.000 2.520 1035 A HA 0.105 4.435 4.320 0.017 0.000 0.235 1035 A C -0.226 177.297 177.584 -0.102 0.000 1.065 1035 A CA 0.323 52.280 52.037 -0.133 0.000 0.764 1035 A CB -0.170 18.749 19.000 -0.135 0.000 1.002 1035 A HN 0.515 nan 8.150 nan 0.000 0.502 1036 D N 0.097 120.462 120.400 -0.059 0.000 2.746 1036 D HA -0.143 4.507 4.640 0.017 0.000 0.241 1036 D C 0.766 177.049 176.300 -0.027 0.000 1.140 1036 D CA 2.467 56.443 54.000 -0.039 0.000 0.707 1036 D CB -1.893 38.880 40.800 -0.045 0.000 1.034 1036 D HN 1.901 nan 8.370 nan 0.000 0.423 1037 S N 0.640 116.333 115.700 -0.012 0.000 3.628 1037 S HA -0.297 4.183 4.470 0.017 0.000 0.373 1037 S C 0.798 175.406 174.600 0.013 0.000 0.968 1037 S CA 0.925 59.130 58.200 0.008 0.000 1.215 1037 S CB -1.209 61.998 63.200 0.011 0.000 0.912 1037 S HN 0.660 nan 8.310 nan 0.000 0.495 1038 N N -2.378 116.323 118.700 0.002 0.000 2.725 1038 N HA -0.212 4.538 4.740 0.017 0.000 0.251 1038 N C 1.016 176.531 175.510 0.008 0.000 1.031 1038 N CA 0.938 54.007 53.050 0.030 0.000 0.720 1038 N CB -2.127 36.459 38.487 0.165 0.000 0.930 1038 N HN 1.259 nan 8.380 nan 0.000 0.543 1039 C N -0.386 118.878 119.300 -0.060 0.000 2.432 1039 C HA -0.063 4.407 4.460 0.017 0.000 0.277 1039 C C 2.799 177.747 174.990 -0.070 0.000 1.249 1039 C CA 1.693 60.680 59.018 -0.051 0.000 1.725 1039 C CB -1.168 26.532 27.740 -0.067 0.000 2.028 1039 C HN 0.717 nan 8.230 nan 0.000 0.477 1040 G N -0.854 107.829 108.800 -0.194 0.000 2.418 1040 G HA2 -0.149 3.821 3.960 0.017 0.000 0.217 1040 G HA3 -0.149 3.821 3.960 0.017 0.000 0.217 1040 G C 1.331 176.158 174.900 -0.122 0.000 1.158 1040 G CA 0.800 45.749 45.100 -0.251 0.000 0.771 1040 G HN 0.477 nan 8.290 nan 0.000 0.545 1041 F N 1.764 121.703 119.950 -0.019 0.000 2.234 1041 F HA 0.139 4.677 4.527 0.018 0.000 0.299 1041 F C 2.950 178.843 175.800 0.155 0.000 1.087 1041 F CA 0.286 58.373 58.000 0.145 0.000 1.340 1041 F CB -0.639 38.438 39.000 0.129 0.000 1.031 1041 F HN 0.245 nan 8.300 nan 0.000 0.500 1042 A N -0.350 122.620 122.820 0.249 0.000 2.015 1042 A HA -0.158 4.172 4.320 0.017 0.000 0.219 1042 A C 2.163 179.833 177.584 0.143 0.000 1.163 1042 A CA 1.772 53.910 52.037 0.168 0.000 0.646 1042 A CB -0.794 18.266 19.000 0.099 0.000 0.806 1042 A HN 0.304 nan 8.150 nan 0.000 0.448 1043 E N 0.087 120.353 120.200 0.110 0.000 2.076 1043 E HA -0.134 4.226 4.350 0.017 0.000 0.190 1043 E C 1.831 178.496 176.600 0.108 0.000 0.979 1043 E CA 1.191 57.637 56.400 0.077 0.000 0.807 1043 E CB -0.498 29.221 29.700 0.030 0.000 0.761 1043 E HN 0.792 nan 8.360 nan 0.000 0.454 1044 E N -0.988 119.313 120.200 0.168 0.000 2.058 1044 E HA -0.205 4.156 4.350 0.017 0.000 0.194 1044 E C 2.001 178.695 176.600 0.156 0.000 0.997 1044 E CA 1.685 58.244 56.400 0.264 0.000 0.801 1044 E CB -0.379 29.612 29.700 0.485 0.000 0.746 1044 E HN 0.563 nan 8.360 nan 0.000 0.450 1045 Y N 1.598 121.791 120.300 -0.179 0.000 2.242 1045 Y HA -0.196 4.364 4.550 0.017 0.000 0.291 1045 Y C 2.419 178.235 175.900 -0.140 0.000 1.137 1045 Y CA 1.400 59.276 58.100 -0.374 0.000 1.181 1045 Y CB 0.079 38.304 38.460 -0.391 0.000 0.989 1045 Y HN -0.156 nan 8.280 nan 0.000 0.527 1046 E N -0.342 119.862 120.200 0.007 0.000 2.208 1046 E HA -0.158 4.202 4.350 0.017 0.000 0.193 1046 E C 1.514 178.083 176.600 -0.051 0.000 0.988 1046 E CA 1.099 57.483 56.400 -0.027 0.000 0.828 1046 E CB -0.349 29.377 29.700 0.042 0.000 0.763 1046 E HN 0.578 nan 8.360 nan 0.000 0.478 1047 D N -0.071 120.338 120.400 0.015 0.000 2.264 1047 D HA -0.006 4.644 4.640 0.017 0.000 0.208 1047 D C 1.662 177.981 176.300 0.031 0.000 0.966 1047 D CA 0.576 54.622 54.000 0.076 0.000 0.864 1047 D CB 0.001 40.919 40.800 0.196 0.000 0.933 1047 D HN 0.302 nan 8.370 nan 0.000 0.499 1048 L N 0.595 121.738 121.223 -0.134 0.000 2.509 1048 L HA -0.065 4.285 4.340 0.017 0.000 0.222 1048 L C 2.398 179.063 176.870 -0.342 0.000 1.123 1048 L CA 0.200 54.850 54.840 -0.318 0.000 0.856 1048 L CB -0.028 41.727 42.059 -0.505 0.000 0.985 1048 L HN -0.009 nan 8.230 nan 0.000 0.456 1049 K N 0.034 120.261 120.400 -0.289 0.000 2.147 1049 K HA -0.052 4.278 4.320 0.017 0.000 0.205 1049 K C 1.347 177.844 176.600 -0.172 0.000 1.049 1049 K CA 0.935 57.072 56.287 -0.250 0.000 0.936 1049 K CB -0.858 31.537 32.500 -0.175 0.000 0.722 1049 K HN 0.493 nan 8.250 nan 0.000 0.446 1050 L N 1.392 122.527 121.223 -0.147 0.000 2.667 1050 L HA 0.338 4.688 4.340 0.017 0.000 0.232 1050 L C 0.099 176.872 176.870 -0.160 0.000 1.138 1050 L CA -0.450 54.319 54.840 -0.118 0.000 0.921 1050 L CB 0.730 42.742 42.059 -0.077 0.000 1.180 1050 L HN 0.005 nan 8.230 nan 0.000 0.487 1051 V N 1.211 120.977 119.914 -0.246 0.000 2.470 1051 V HA 0.324 4.454 4.120 0.017 0.000 0.276 1051 V C 1.332 177.239 176.094 -0.311 0.000 1.040 1051 V CA 0.930 63.004 62.300 -0.377 0.000 1.008 1051 V CB 0.481 31.870 31.823 -0.723 0.000 0.990 1051 V HN 0.630 nan 8.190 nan 0.000 0.477 1052 G N 4.450 113.065 108.800 -0.309 0.000 2.217 1052 G HA2 -0.278 3.692 3.960 0.017 0.000 0.246 1052 G HA3 -0.278 3.692 3.960 0.017 0.000 0.246 1052 G C 0.747 175.411 174.900 -0.392 0.000 0.990 1052 G CA 0.426 45.309 45.100 -0.361 0.000 0.627 1052 G HN 1.033 nan 8.290 nan 0.000 0.522 1053 I N 0.484 120.951 120.570 -0.173 0.000 3.428 1053 I HA 0.280 4.460 4.170 0.017 0.000 0.286 1053 I C 2.053 178.123 176.117 -0.078 0.000 1.287 1053 I CA 1.454 62.734 61.300 -0.034 0.000 1.396 1053 I CB -0.029 37.978 38.000 0.012 0.000 1.062 1053 I HN 0.312 nan 8.210 nan 0.000 0.471 1054 S N -0.237 115.372 115.700 -0.153 0.000 2.603 1054 S HA 0.131 4.611 4.470 0.017 0.000 0.220 1054 S C 0.733 175.232 174.600 -0.168 0.000 0.967 1054 S CA -0.376 57.746 58.200 -0.129 0.000 0.920 1054 S CB -0.415 62.716 63.200 -0.115 0.000 0.773 1054 S HN 0.632 nan 8.310 nan 0.000 0.529 1055 Q N 2.732 122.353 119.800 -0.297 0.000 2.340 1055 Q HA 0.372 4.722 4.340 0.017 0.000 0.249 1055 Q C -2.409 173.507 176.000 -0.139 0.000 0.957 1055 Q CA -2.136 53.487 55.803 -0.300 0.000 0.882 1055 Q CB 0.186 28.560 28.738 -0.606 0.000 1.235 1055 Q HN 0.284 nan 8.270 nan 0.000 0.439 1056 P HA 0.010 nan 4.420 nan 0.000 0.272 1056 P C -0.997 176.277 177.300 -0.042 0.000 1.223 1056 P CA -0.035 62.965 63.100 -0.166 0.000 0.784 1056 P CB 0.435 32.096 31.700 -0.066 0.000 0.923 1057 K N 0.844 121.134 120.400 -0.183 0.000 3.365 1057 K HA 0.196 4.526 4.320 0.017 0.000 0.187 1057 K C 0.012 176.570 176.600 -0.070 0.000 1.062 1057 K CA -0.478 55.798 56.287 -0.018 0.000 0.882 1057 K CB -0.408 32.116 32.500 0.039 0.000 0.750 1057 K HN 0.045 nan 8.250 nan 0.000 0.479 1058 Y N 1.152 121.491 120.300 0.066 0.000 2.165 1058 Y HA -0.255 4.305 4.550 0.017 0.000 0.286 1058 Y C 2.734 178.641 175.900 0.011 0.000 1.155 1058 Y CA 1.943 60.063 58.100 0.034 0.000 1.164 1058 Y CB -0.322 38.157 38.460 0.032 0.000 0.978 1058 Y HN 0.516 nan 8.280 nan 0.000 0.513 1059 A N 0.165 123.097 122.820 0.186 0.000 1.902 1059 A HA -0.139 4.192 4.320 0.017 0.000 0.217 1059 A C 2.449 179.965 177.584 -0.113 0.000 1.181 1059 A CA 1.815 53.904 52.037 0.087 0.000 0.623 1059 A CB -1.247 17.873 19.000 0.201 0.000 0.818 1059 A HN 0.410 nan 8.150 nan 0.000 0.443 1060 A N -0.327 122.482 122.820 -0.018 0.000 2.019 1060 A HA -0.131 4.199 4.320 0.017 0.000 0.219 1060 A C 1.759 179.246 177.584 -0.162 0.000 1.164 1060 A CA 1.556 53.523 52.037 -0.117 0.000 0.644 1060 A CB -0.382 18.675 19.000 0.095 0.000 0.805 1060 A HN 0.656 nan 8.150 nan 0.000 0.449 1061 E N -0.573 119.580 120.200 -0.079 0.000 2.474 1061 E HA 0.213 4.573 4.350 0.017 0.000 0.195 1061 E C -0.400 176.174 176.600 -0.043 0.000 1.039 1061 E CA -0.457 55.913 56.400 -0.049 0.000 0.881 1061 E CB 0.050 29.743 29.700 -0.012 0.000 0.970 1061 E HN 0.537 nan 8.360 nan 0.000 0.486 1062 L N 1.081 122.260 121.223 -0.073 0.000 2.490 1062 L HA -0.002 4.348 4.340 0.017 0.000 0.274 1062 L C 1.584 178.409 176.870 -0.075 0.000 1.201 1062 L CA -0.321 54.485 54.840 -0.056 0.000 0.869 1062 L CB 0.634 42.654 42.059 -0.064 0.000 1.123 1062 L HN 0.136 nan 8.230 nan 0.000 0.484 1063 A N 2.696 125.493 122.820 -0.037 0.000 1.940 1063 A HA -0.192 4.138 4.320 0.017 0.000 0.219 1063 A C 1.960 179.520 177.584 -0.040 0.000 1.176 1063 A CA 1.616 53.633 52.037 -0.033 0.000 0.631 1063 A CB -0.334 18.658 19.000 -0.015 0.000 0.814 1063 A HN 0.889 nan 8.150 nan 0.000 0.446 1064 E N 0.436 120.615 120.200 -0.035 0.000 2.204 1064 E HA -0.099 4.261 4.350 0.017 0.000 0.195 1064 E C 1.134 177.700 176.600 -0.056 0.000 0.990 1064 E CA 1.146 57.532 56.400 -0.023 0.000 0.821 1064 E CB -0.097 29.611 29.700 0.013 0.000 0.750 1064 E HN 0.576 nan 8.360 nan 0.000 0.477 1065 N N 0.044 118.658 118.700 -0.142 0.000 2.280 1065 N HA 0.035 4.785 4.740 0.017 0.000 0.192 1065 N C 1.191 176.589 175.510 -0.186 0.000 1.109 1065 N CA 0.065 52.959 53.050 -0.259 0.000 0.855 1065 N CB 0.267 38.317 38.487 -0.729 0.000 0.974 1065 N HN 0.107 nan 8.380 nan 0.000 0.482 1066 R N 0.950 121.385 120.500 -0.108 0.000 2.073 1066 R HA -0.055 4.295 4.340 0.017 0.000 0.234 1066 R C 1.824 178.103 176.300 -0.034 0.000 1.134 1066 R CA 1.617 57.678 56.100 -0.065 0.000 0.952 1066 R CB -0.440 29.833 30.300 -0.044 0.000 0.850 1066 R HN 0.097 nan 8.270 nan 0.000 0.433 1067 G N 0.133 108.918 108.800 -0.024 0.000 2.708 1067 G HA2 -0.165 3.805 3.960 0.017 0.000 0.210 1067 G HA3 -0.165 3.805 3.960 0.017 0.000 0.210 1067 G C 0.838 175.739 174.900 0.002 0.000 1.141 1067 G CA 0.322 45.414 45.100 -0.013 0.000 0.788 1067 G HN 0.363 nan 8.290 nan 0.000 0.531 1068 K N -0.008 120.413 120.400 0.034 0.000 2.353 1068 K HA 0.118 4.448 4.320 0.017 0.000 0.195 1068 K C -0.198 176.467 176.600 0.108 0.000 1.031 1068 K CA -0.253 56.094 56.287 0.099 0.000 1.079 1068 K CB 0.477 33.120 32.500 0.238 0.000 0.857 1068 K HN 0.099 nan 8.250 nan 0.000 0.535 1069 N N 1.556 120.294 118.700 0.064 0.000 2.419 1069 N HA 0.106 4.856 4.740 0.017 0.000 0.277 1069 N C 0.371 175.837 175.510 -0.073 0.000 1.006 1069 N CA -0.108 52.963 53.050 0.035 0.000 0.923 1069 N CB 1.865 40.387 38.487 0.059 0.000 1.140 1069 N HN 0.028 nan 8.380 nan 0.000 0.488 1070 R N 1.978 122.380 120.500 -0.164 0.000 2.081 1070 R HA -0.069 4.281 4.340 0.017 0.000 0.235 1070 R C -0.321 175.625 176.300 -0.590 0.000 1.131 1070 R CA 1.532 57.372 56.100 -0.434 0.000 0.960 1070 R CB 0.132 30.058 30.300 -0.623 0.000 0.856 1070 R HN 0.521 nan 8.270 nan 0.000 0.436 1071 Y N 0.025 120.321 120.300 -0.007 0.000 2.446 1071 Y HA 0.172 4.732 4.550 0.017 0.000 0.345 1071 Y C 0.508 176.404 175.900 -0.007 0.000 0.984 1071 Y CA -1.342 56.754 58.100 -0.006 0.000 1.058 1071 Y CB 1.470 39.926 38.460 -0.006 0.000 1.220 1071 Y HN 0.113 nan 8.280 nan 0.000 0.455 1072 N N 0.357 119.138 118.700 0.134 0.000 2.550 1072 N HA -0.138 4.612 4.740 0.017 0.000 0.186 1072 N C 0.022 175.566 175.510 0.057 0.000 1.110 1072 N CA 0.835 53.925 53.050 0.066 0.000 0.912 1072 N CB -0.218 38.293 38.487 0.039 0.000 0.968 1072 N HN 0.696 nan 8.380 nan 0.000 0.448 1073 N N -0.608 118.139 118.700 0.079 0.000 2.197 1073 N HA 0.064 4.814 4.740 0.017 0.000 0.228 1073 N C -1.065 174.454 175.510 0.016 0.000 1.212 1073 N CA -0.322 52.748 53.050 0.032 0.000 0.883 1073 N CB 0.379 38.876 38.487 0.015 0.000 1.107 1073 N HN 0.016 nan 8.380 nan 0.000 0.519 1074 V N 1.946 121.893 119.914 0.055 0.000 2.266 1074 V HA 0.440 4.570 4.120 0.017 0.000 0.271 1074 V C -0.463 175.632 176.094 0.001 0.000 1.032 1074 V CA -0.547 61.763 62.300 0.015 0.000 0.806 1074 V CB 0.915 32.776 31.823 0.062 0.000 1.052 1074 V HN 0.119 nan 8.190 nan 0.000 0.449 1075 L N 6.654 127.833 121.223 -0.072 0.000 2.365 1075 L HA 0.619 4.969 4.340 0.017 0.000 0.273 1075 L C -2.379 174.381 176.870 -0.184 0.000 1.000 1075 L CA -1.911 52.894 54.840 -0.059 0.000 0.819 1075 L CB 3.148 45.187 42.059 -0.034 0.000 1.284 1075 L HN 0.326 nan 8.230 nan 0.000 0.418 1076 P HA 0.098 nan 4.420 nan 0.000 0.276 1076 P C -1.179 176.065 177.300 -0.093 0.000 1.230 1076 P CA -0.281 62.727 63.100 -0.153 0.000 0.776 1076 P CB 0.418 32.084 31.700 -0.056 0.000 0.888 1077 Y N 1.154 121.475 120.300 0.035 0.000 2.597 1077 Y HA -0.045 4.515 4.550 0.017 0.000 0.336 1077 Y C 1.976 177.912 175.900 0.060 0.000 1.216 1077 Y CA 0.412 58.527 58.100 0.024 0.000 1.463 1077 Y CB -0.419 38.040 38.460 -0.001 0.000 1.303 1077 Y HN 0.392 nan 8.280 nan 0.000 0.576 1078 D N 1.554 122.095 120.400 0.235 0.000 2.123 1078 D HA -0.227 4.423 4.640 0.017 0.000 0.196 1078 D C 2.244 178.650 176.300 0.176 0.000 0.992 1078 D CA 1.438 55.553 54.000 0.193 0.000 0.833 1078 D CB -0.066 40.853 40.800 0.197 0.000 0.954 1078 D HN 0.730 nan 8.370 nan 0.000 0.455 1079 I N 0.696 121.367 120.570 0.168 0.000 2.361 1079 I HA -0.245 3.935 4.170 0.017 0.000 0.251 1079 I C 1.544 177.772 176.117 0.184 0.000 1.133 1079 I CA 1.389 62.776 61.300 0.145 0.000 1.413 1079 I CB 0.153 38.209 38.000 0.094 0.000 1.073 1079 I HN -0.040 nan 8.210 nan 0.000 0.424 1080 S N 0.162 115.998 115.700 0.226 0.000 2.559 1080 S HA 0.156 4.636 4.470 0.017 0.000 0.226 1080 S C 0.786 175.528 174.600 0.237 0.000 1.000 1080 S CA -0.814 57.559 58.200 0.288 0.000 0.948 1080 S CB -0.252 63.168 63.200 0.367 0.000 0.870 1080 S HN 0.443 nan 8.310 nan 0.000 0.497 1081 R N 1.064 121.658 120.500 0.158 0.000 2.643 1081 R HA 0.430 4.780 4.340 0.017 0.000 0.270 1081 R C -0.720 175.588 176.300 0.012 0.000 1.061 1081 R CA -0.568 55.559 56.100 0.044 0.000 1.107 1081 R CB 0.166 30.487 30.300 0.035 0.000 0.999 1081 R HN 0.021 nan 8.270 nan 0.000 0.460 1082 V N 3.233 123.036 119.914 -0.185 0.000 2.439 1082 V HA 0.090 4.220 4.120 0.017 0.000 0.271 1082 V C 0.233 176.267 176.094 -0.100 0.000 1.040 1082 V CA -0.074 62.076 62.300 -0.250 0.000 1.002 1082 V CB 0.342 31.888 31.823 -0.463 0.000 1.000 1082 V HN 0.681 nan 8.190 nan 0.000 0.477 1083 K N 6.004 126.417 120.400 0.022 0.000 2.240 1083 K HA 0.603 4.933 4.320 0.017 0.000 0.271 1083 K C -0.625 175.994 176.600 0.031 0.000 1.018 1083 K CA -0.371 55.936 56.287 0.033 0.000 0.874 1083 K CB 1.408 33.951 32.500 0.072 0.000 1.098 1083 K HN 0.520 nan 8.250 nan 0.000 0.458 1084 L N 1.392 122.624 121.223 0.016 0.000 2.431 1084 L HA 0.311 4.661 4.340 0.017 0.000 0.260 1084 L C 0.912 177.811 176.870 0.048 0.000 1.098 1084 L CA -0.725 54.133 54.840 0.029 0.000 0.800 1084 L CB 1.308 43.379 42.059 0.019 0.000 1.210 1084 L HN 0.704 nan 8.230 nan 0.000 0.465 1085 S N 0.079 115.815 115.700 0.061 0.000 2.600 1085 S HA 0.453 4.933 4.470 0.017 0.000 0.265 1085 S C -0.356 174.277 174.600 0.056 0.000 1.325 1085 S CA -0.737 57.499 58.200 0.061 0.000 1.002 1085 S CB 1.413 64.659 63.200 0.078 0.000 0.921 1085 S HN 0.284 nan 8.310 nan 0.000 0.554 1086 V N 2.514 122.456 119.914 0.047 0.000 2.628 1086 V HA 0.405 4.535 4.120 0.017 0.000 0.306 1086 V C 0.580 176.702 176.094 0.047 0.000 1.045 1086 V CA -0.633 61.691 62.300 0.040 0.000 0.905 1086 V CB 1.733 33.566 31.823 0.016 0.000 0.997 1086 V HN 1.064 nan 8.190 nan 0.000 0.436 1087 Q N 1.884 121.715 119.800 0.052 0.000 2.652 1087 Q HA 0.135 4.485 4.340 0.017 0.000 0.211 1087 Q C 1.229 177.264 176.000 0.059 0.000 0.858 1087 Q CA 0.625 56.459 55.803 0.052 0.000 0.895 1087 Q CB 0.243 29.011 28.738 0.050 0.000 1.194 1087 Q HN 0.622 nan 8.270 nan 0.000 0.645 1088 T N -0.280 114.318 114.554 0.073 0.000 3.071 1088 T HA 0.107 4.467 4.350 0.017 0.000 0.239 1088 T C -0.386 174.411 174.700 0.163 0.000 0.997 1088 T CA 0.632 62.787 62.100 0.093 0.000 1.134 1088 T CB 0.166 69.080 68.868 0.078 0.000 0.928 1088 T HN 0.272 nan 8.240 nan 0.000 0.453 1089 H N -0.635 118.454 119.070 0.031 0.000 2.949 1089 H HA 0.476 5.042 4.556 0.017 0.000 0.356 1089 H C 1.268 176.620 175.328 0.039 0.000 1.212 1089 H CA -0.244 55.822 56.048 0.031 0.000 1.136 1089 H CB 1.442 31.219 29.762 0.025 0.000 1.869 1089 H HN -0.000 nan 8.280 nan 0.000 0.556 1090 S N -0.077 115.190 115.700 -0.721 0.000 2.392 1090 S HA -0.248 4.232 4.470 0.017 0.000 0.232 1090 S C 1.745 176.256 174.600 -0.147 0.000 1.041 1090 S CA 2.001 59.948 58.200 -0.421 0.000 1.026 1090 S CB -1.088 61.778 63.200 -0.557 0.000 0.845 1090 S HN 0.794 nan 8.310 nan 0.000 0.465 1091 T N -1.005 113.509 114.554 -0.067 0.000 3.113 1091 T HA 0.010 4.370 4.350 0.017 0.000 0.263 1091 T C 1.038 175.796 174.700 0.097 0.000 1.143 1091 T CA 0.944 63.077 62.100 0.055 0.000 1.090 1091 T CB -0.556 68.363 68.868 0.085 0.000 0.922 1091 T HN 0.251 nan 8.240 nan 0.000 0.521 1092 D N 2.599 123.045 120.400 0.075 0.000 2.265 1092 D HA -0.115 4.535 4.640 0.017 0.000 0.208 1092 D C 1.828 178.178 176.300 0.083 0.000 0.977 1092 D CA 1.365 55.414 54.000 0.082 0.000 0.871 1092 D CB -0.385 40.456 40.800 0.067 0.000 0.925 1092 D HN 0.736 nan 8.370 nan 0.000 0.485 1093 D N -0.848 119.599 120.400 0.077 0.000 2.348 1093 D HA -0.197 4.453 4.640 0.017 0.000 0.216 1093 D C 0.394 176.750 176.300 0.094 0.000 0.970 1093 D CA 0.031 54.075 54.000 0.074 0.000 0.889 1093 D CB -0.675 40.160 40.800 0.059 0.000 0.912 1093 D HN 0.216 nan 8.370 nan 0.000 0.524 1094 Y N 0.469 120.776 120.300 0.011 0.000 2.316 1094 Y HA 0.470 5.030 4.550 0.017 0.000 0.331 1094 Y C -0.473 175.424 175.900 -0.005 0.000 1.083 1094 Y CA -0.755 57.348 58.100 0.005 0.000 1.206 1094 Y CB 0.546 39.013 38.460 0.011 0.000 1.195 1094 Y HN -0.048 nan 8.280 nan 0.000 0.497 1095 I N 5.858 125.968 120.570 -0.768 0.000 2.722 1095 I HA 0.258 4.439 4.170 0.017 0.000 0.295 1095 I C -1.171 174.407 176.117 -0.898 0.000 1.161 1095 I CA -0.907 60.016 61.300 -0.629 0.000 1.032 1095 I CB 1.631 39.454 38.000 -0.295 0.000 1.244 1095 I HN 0.611 nan 8.210 nan 0.000 0.421 1096 N N 6.109 124.493 118.700 -0.527 0.000 2.498 1096 N HA 0.447 5.197 4.740 0.017 0.000 0.277 1096 N C -1.151 174.226 175.510 -0.222 0.000 1.208 1096 N CA 0.347 53.218 53.050 -0.298 0.000 1.029 1096 N CB 0.121 38.565 38.487 -0.072 0.000 1.403 1096 N HN 0.668 nan 8.380 nan 0.000 0.500 1097 A N 3.012 125.679 122.820 -0.254 0.000 2.604 1097 A HA 0.611 4.941 4.320 0.017 0.000 0.295 1097 A C -1.234 176.233 177.584 -0.196 0.000 1.067 1097 A CA -0.888 51.024 52.037 -0.209 0.000 0.683 1097 A CB 1.117 19.962 19.000 -0.258 0.000 1.281 1097 A HN 0.604 nan 8.150 nan 0.000 0.407 1098 N N -0.397 118.212 118.700 -0.152 0.000 2.235 1098 N HA 0.553 5.303 4.740 0.017 0.000 0.293 1098 N C -1.767 173.695 175.510 -0.081 0.000 1.083 1098 N CA -0.451 52.552 53.050 -0.079 0.000 0.801 1098 N CB 1.317 39.826 38.487 0.036 0.000 1.559 1098 N HN 0.551 nan 8.380 nan 0.000 0.472 1099 Y N 1.581 121.919 120.300 0.064 0.000 2.465 1099 Y HA 0.245 4.805 4.550 0.017 0.000 0.331 1099 Y C 0.073 176.004 175.900 0.052 0.000 1.102 1099 Y CA 0.099 58.234 58.100 0.058 0.000 1.358 1099 Y CB 0.453 38.937 38.460 0.040 0.000 1.213 1099 Y HN 0.190 nan 8.280 nan 0.000 0.525 1100 M N 6.186 125.920 119.600 0.224 0.000 2.243 1100 M HA 0.381 4.872 4.480 0.017 0.000 0.324 1100 M C -2.711 173.657 176.300 0.114 0.000 1.031 1100 M CA -2.902 52.462 55.300 0.107 0.000 0.949 1100 M CB 1.471 34.159 32.600 0.146 0.000 1.615 1100 M HN 0.268 nan 8.290 nan 0.000 0.430 1101 P HA 0.275 nan 4.420 nan 0.000 0.269 1101 P C 0.151 177.567 177.300 0.194 0.000 1.209 1101 P CA 0.085 63.184 63.100 -0.001 0.000 0.776 1101 P CB 0.706 32.334 31.700 -0.120 0.000 0.876 1102 G N 0.399 109.347 108.800 0.247 0.000 3.107 1102 G HA2 0.151 4.121 3.960 0.017 0.000 0.232 1102 G HA3 0.151 4.121 3.960 0.017 0.000 0.232 1102 G C -0.183 174.817 174.900 0.167 0.000 1.339 1102 G CA -0.295 45.029 45.100 0.372 0.000 1.033 1102 G HN 0.411 nan 8.290 nan 0.000 0.567 1103 Y N -0.448 119.857 120.300 0.008 0.000 2.293 1103 Y HA -0.052 4.508 4.550 0.017 0.000 0.291 1103 Y C 2.658 178.309 175.900 -0.415 0.000 1.137 1103 Y CA 2.356 60.305 58.100 -0.251 0.000 1.202 1103 Y CB 0.078 38.280 38.460 -0.429 0.000 0.990 1103 Y HN 0.542 nan 8.280 nan 0.000 0.537 1104 H N -1.442 117.543 119.070 -0.142 0.000 2.553 1104 H HA 0.269 4.835 4.556 0.017 0.000 0.276 1104 H C 0.567 175.797 175.328 -0.163 0.000 0.979 1104 H CA 0.580 56.509 56.048 -0.198 0.000 1.268 1104 H CB 0.313 29.971 29.762 -0.172 0.000 1.450 1104 H HN 0.182 nan 8.280 nan 0.000 0.527 1105 S N -1.361 114.330 115.700 -0.016 0.000 2.636 1105 S HA 0.234 4.715 4.470 0.017 0.000 0.268 1105 S C -0.014 174.561 174.600 -0.042 0.000 1.159 1105 S CA -1.041 57.131 58.200 -0.047 0.000 0.815 1105 S CB 1.713 64.880 63.200 -0.055 0.000 1.130 1105 S HN -0.069 nan 8.310 nan 0.000 0.471 1106 K N 0.660 121.022 120.400 -0.063 0.000 2.366 1106 K HA 0.157 4.487 4.320 0.017 0.000 0.198 1106 K C 0.400 176.961 176.600 -0.066 0.000 1.044 1106 K CA 0.732 56.976 56.287 -0.073 0.000 0.973 1106 K CB -0.212 32.245 32.500 -0.071 0.000 0.767 1106 K HN 0.570 nan 8.250 nan 0.000 0.475 1107 K N 1.012 121.358 120.400 -0.089 0.000 2.699 1107 K HA 0.080 4.410 4.320 0.017 0.000 0.210 1107 K C -0.051 176.541 176.600 -0.012 0.000 1.076 1107 K CA -0.134 56.108 56.287 -0.074 0.000 1.109 1107 K CB 0.714 33.029 32.500 -0.308 0.000 0.862 1107 K HN -0.091 nan 8.250 nan 0.000 0.470 1108 D N 0.483 120.867 120.400 -0.027 0.000 2.144 1108 D HA -0.044 4.606 4.640 0.017 0.000 0.200 1108 D C -0.000 176.025 176.300 -0.458 0.000 0.978 1108 D CA 1.227 55.089 54.000 -0.231 0.000 0.833 1108 D CB 0.197 40.863 40.800 -0.224 0.000 0.961 1108 D HN 0.083 nan 8.370 nan 0.000 0.470 1109 F N -0.664 119.353 119.950 0.112 0.000 2.593 1109 F HA 0.493 5.029 4.527 0.016 0.000 0.320 1109 F C 0.010 175.882 175.800 0.119 0.000 1.060 1109 F CA -1.055 57.015 58.000 0.117 0.000 0.940 1109 F CB 1.745 40.816 39.000 0.118 0.000 1.268 1109 F HN -0.394 nan 8.300 nan 0.000 0.475 1110 I N 2.015 122.723 120.570 0.229 0.000 2.362 1110 I HA 0.553 4.733 4.170 0.017 0.000 0.289 1110 I C -0.494 175.671 176.117 0.080 0.000 0.994 1110 I CA -0.770 60.553 61.300 0.040 0.000 1.158 1110 I CB 1.564 39.480 38.000 -0.140 0.000 1.315 1110 I HN 0.673 nan 8.210 nan 0.000 0.451 1111 A N 4.685 127.533 122.820 0.046 0.000 2.274 1111 A HA 0.743 5.073 4.320 0.017 0.000 0.309 1111 A C -0.186 177.388 177.584 -0.016 0.000 1.226 1111 A CA -0.245 51.813 52.037 0.034 0.000 0.853 1111 A CB 1.064 20.082 19.000 0.030 0.000 1.146 1111 A HN 0.649 nan 8.150 nan 0.000 0.518 1112 T N 1.076 115.634 114.554 0.007 0.000 2.864 1112 T HA 0.491 4.851 4.350 0.017 0.000 0.299 1112 T C -0.609 174.102 174.700 0.018 0.000 1.166 1112 T CA -0.579 61.508 62.100 -0.021 0.000 1.007 1112 T CB 1.189 70.023 68.868 -0.057 0.000 1.219 1112 T HN 0.873 nan 8.240 nan 0.000 0.506 1113 Q N 1.394 121.180 119.800 -0.022 0.000 2.354 1113 Q HA 0.564 4.914 4.340 0.017 0.000 0.244 1113 Q C 0.614 176.542 176.000 -0.120 0.000 0.969 1113 Q CA -0.790 54.999 55.803 -0.024 0.000 0.885 1113 Q CB 0.297 29.012 28.738 -0.038 0.000 1.241 1113 Q HN 0.760 nan 8.270 nan 0.000 0.461 1114 G N 2.502 111.240 108.800 -0.104 0.000 2.353 1114 G HA2 0.219 4.189 3.960 0.017 0.000 0.239 1114 G HA3 0.219 4.189 3.960 0.017 0.000 0.239 1114 G C -2.126 172.500 174.900 -0.456 0.000 1.295 1114 G CA -0.885 44.003 45.100 -0.353 0.000 0.884 1114 G HN 0.615 nan 8.290 nan 0.000 0.537 1115 P HA 0.100 nan 4.420 nan 0.000 0.269 1115 P C 0.139 177.243 177.300 -0.327 0.000 1.209 1115 P CA -0.140 62.601 63.100 -0.599 0.000 0.776 1115 P CB 1.099 32.216 31.700 -0.972 0.000 0.876 1116 L N 4.189 125.284 121.223 -0.213 0.000 2.456 1116 L HA 0.208 4.558 4.340 0.017 0.000 0.257 1116 L C -0.971 175.839 176.870 -0.101 0.000 1.162 1116 L CA -1.875 52.882 54.840 -0.139 0.000 0.808 1116 L CB 0.079 42.074 42.059 -0.105 0.000 1.136 1116 L HN 0.243 nan 8.230 nan 0.000 0.466 1117 P HA -0.149 nan 4.420 nan 0.000 0.216 1117 P C 0.586 177.888 177.300 0.002 0.000 1.150 1117 P CA 1.255 64.342 63.100 -0.022 0.000 0.837 1117 P CB -0.054 31.635 31.700 -0.019 0.000 0.786 1118 N N -1.525 117.170 118.700 -0.007 0.000 2.398 1118 N HA -0.014 4.736 4.740 0.017 0.000 0.188 1118 N C 0.728 176.251 175.510 0.022 0.000 1.122 1118 N CA 1.072 54.129 53.050 0.013 0.000 0.866 1118 N CB -0.860 37.631 38.487 0.006 0.000 0.970 1118 N HN 0.209 nan 8.380 nan 0.000 0.462 1119 T N -3.356 111.199 114.554 0.002 0.000 3.091 1119 T HA 0.205 4.565 4.350 0.017 0.000 0.277 1119 T C 1.379 176.085 174.700 0.010 0.000 0.996 1119 T CA -0.432 61.673 62.100 0.008 0.000 0.897 1119 T CB -0.141 68.714 68.868 -0.022 0.000 1.109 1119 T HN -0.041 nan 8.240 nan 0.000 0.534 1120 L N 2.065 123.300 121.223 0.021 0.000 2.042 1120 L HA 0.106 4.457 4.340 0.017 0.000 0.210 1120 L C 2.370 179.375 176.870 0.224 0.000 1.076 1120 L CA 1.826 56.699 54.840 0.056 0.000 0.749 1120 L CB -0.444 41.699 42.059 0.140 0.000 0.893 1120 L HN 0.198 nan 8.230 nan 0.000 0.432 1121 K N -0.721 119.826 120.400 0.245 0.000 2.057 1121 K HA -0.158 4.172 4.320 0.017 0.000 0.207 1121 K C 1.725 178.453 176.600 0.214 0.000 1.049 1121 K CA 1.477 57.931 56.287 0.278 0.000 0.931 1121 K CB -0.357 32.260 32.500 0.196 0.000 0.714 1121 K HN 0.372 nan 8.250 nan 0.000 0.440 1122 D N 0.706 121.188 120.400 0.138 0.000 2.117 1122 D HA -0.166 4.485 4.640 0.017 0.000 0.197 1122 D C 1.686 178.016 176.300 0.051 0.000 0.987 1122 D CA 0.904 54.955 54.000 0.085 0.000 0.829 1122 D CB -0.364 40.466 40.800 0.050 0.000 0.961 1122 D HN 0.117 nan 8.370 nan 0.000 0.460 1123 F N -0.075 119.779 119.950 -0.160 0.000 2.095 1123 F HA -0.185 4.352 4.527 0.017 0.000 0.298 1123 F C 2.025 177.634 175.800 -0.318 0.000 1.104 1123 F CA 1.516 59.309 58.000 -0.345 0.000 1.232 1123 F CB -0.383 38.270 39.000 -0.578 0.000 0.987 1123 F HN -0.052 nan 8.300 nan 0.000 0.475 1124 W N 0.475 121.793 121.300 0.031 0.000 2.436 1124 W HA 0.001 4.671 4.660 0.015 0.000 0.284 1124 W C 2.660 179.188 176.519 0.015 0.000 1.225 1124 W CA 0.617 57.942 57.345 -0.034 0.000 1.271 1124 W CB -0.325 29.133 29.460 -0.004 0.000 1.114 1124 W HN -0.175 nan 8.180 nan 0.000 0.559 1125 R N 0.202 120.850 120.500 0.247 0.000 2.073 1125 R HA -0.210 4.140 4.340 0.017 0.000 0.234 1125 R C 2.171 178.562 176.300 0.152 0.000 1.134 1125 R CA 1.885 58.114 56.100 0.214 0.000 0.952 1125 R CB -0.739 29.651 30.300 0.151 0.000 0.850 1125 R HN 0.287 nan 8.270 nan 0.000 0.433 1126 M N 0.439 120.031 119.600 -0.013 0.000 2.080 1126 M HA -0.183 4.307 4.480 0.017 0.000 0.260 1126 M C 2.039 178.273 176.300 -0.110 0.000 1.068 1126 M CA 1.667 56.902 55.300 -0.108 0.000 1.109 1126 M CB -0.060 32.388 32.600 -0.254 0.000 1.342 1126 M HN -0.034 nan 8.290 nan 0.000 0.405 1127 V N 0.349 120.151 119.914 -0.187 0.000 2.278 1127 V HA -0.351 3.779 4.120 0.017 0.000 0.251 1127 V C 2.125 178.302 176.094 0.140 0.000 1.062 1127 V CA 2.510 64.767 62.300 -0.071 0.000 1.038 1127 V CB -1.204 30.591 31.823 -0.046 0.000 0.646 1127 V HN 0.792 nan 8.190 nan 0.000 0.447 1128 W N 1.117 122.467 121.300 0.083 0.000 2.381 1128 W HA -0.156 4.513 4.660 0.016 0.000 0.321 1128 W C 2.397 178.994 176.519 0.129 0.000 1.196 1128 W CA 1.921 59.339 57.345 0.121 0.000 1.304 1128 W CB -0.329 29.176 29.460 0.075 0.000 1.166 1128 W HN 0.308 nan 8.180 nan 0.000 0.473 1129 E N 0.016 120.242 120.200 0.044 0.000 2.209 1129 E HA -0.201 4.159 4.350 0.017 0.000 0.196 1129 E C 1.634 178.176 176.600 -0.096 0.000 0.993 1129 E CA 0.989 57.364 56.400 -0.041 0.000 0.819 1129 E CB -0.084 29.684 29.700 0.114 0.000 0.745 1129 E HN 0.041 nan 8.360 nan 0.000 0.477 1130 K N 0.527 120.885 120.400 -0.070 0.000 2.397 1130 K HA 0.104 4.434 4.320 0.017 0.000 0.202 1130 K C -0.144 176.406 176.600 -0.084 0.000 1.022 1130 K CA -0.140 56.120 56.287 -0.045 0.000 1.141 1130 K CB 0.160 32.658 32.500 -0.004 0.000 0.857 1130 K HN 0.070 nan 8.250 nan 0.000 0.514 1131 N N 0.920 119.526 118.700 -0.156 0.000 2.725 1131 N HA -0.159 4.591 4.740 0.017 0.000 0.251 1131 N C -0.569 174.878 175.510 -0.104 0.000 1.031 1131 N CA 0.443 53.371 53.050 -0.203 0.000 0.720 1131 N CB -1.589 36.739 38.487 -0.266 0.000 0.930 1131 N HN -0.061 nan 8.380 nan 0.000 0.543 1132 V N 0.631 120.524 119.914 -0.037 0.000 2.521 1132 V HA 0.172 4.303 4.120 0.017 0.000 0.286 1132 V C 1.639 177.764 176.094 0.052 0.000 1.034 1132 V CA 1.107 63.406 62.300 -0.002 0.000 1.045 1132 V CB 0.279 32.087 31.823 -0.024 0.000 0.974 1132 V HN 0.479 nan 8.190 nan 0.000 0.480 1133 Y N 2.199 122.531 120.300 0.053 0.000 2.498 1133 Y HA 0.772 5.332 4.550 0.017 0.000 0.259 1133 Y C 0.948 176.938 175.900 0.151 0.000 1.086 1133 Y CA 0.182 58.340 58.100 0.097 0.000 1.287 1133 Y CB 0.223 38.717 38.460 0.057 0.000 1.146 1133 Y HN 0.795 nan 8.280 nan 0.000 0.523 1134 A N 0.361 123.277 122.820 0.159 0.000 2.343 1134 A HA 0.721 5.051 4.320 0.017 0.000 0.316 1134 A C -0.943 176.779 177.584 0.230 0.000 1.104 1134 A CA -0.572 51.617 52.037 0.253 0.000 0.768 1134 A CB 0.627 19.809 19.000 0.303 0.000 1.213 1134 A HN 0.486 nan 8.150 nan 0.000 0.456 1135 I N 3.129 123.861 120.570 0.270 0.000 2.441 1135 I HA 0.394 4.574 4.170 0.017 0.000 0.295 1135 I C -0.890 175.408 176.117 0.302 0.000 0.994 1135 I CA -0.714 60.741 61.300 0.259 0.000 1.144 1135 I CB 1.766 39.930 38.000 0.274 0.000 1.314 1135 I HN 0.376 nan 8.210 nan 0.000 0.445 1136 I N 6.633 127.327 120.570 0.207 0.000 2.382 1136 I HA 0.403 4.583 4.170 0.017 0.000 0.286 1136 I C -0.314 175.764 176.117 -0.065 0.000 1.002 1136 I CA -0.598 60.765 61.300 0.105 0.000 1.135 1136 I CB 1.405 39.304 38.000 -0.168 0.000 1.288 1136 I HN 0.626 nan 8.210 nan 0.000 0.448 1137 M N 7.978 127.545 119.600 -0.056 0.000 2.181 1137 M HA 0.558 5.048 4.480 0.017 0.000 0.323 1137 M C -1.838 174.399 176.300 -0.105 0.000 1.004 1137 M CA -0.500 54.569 55.300 -0.385 0.000 0.941 1137 M CB 1.374 33.770 32.600 -0.339 0.000 1.579 1137 M HN 0.414 nan 8.290 nan 0.000 0.427 1138 L N 5.551 126.651 121.223 -0.206 0.000 2.319 1138 L HA 0.715 5.065 4.340 0.017 0.000 0.281 1138 L C -0.233 176.626 176.870 -0.019 0.000 1.005 1138 L CA -0.430 54.378 54.840 -0.053 0.000 0.828 1138 L CB 1.732 43.608 42.059 -0.304 0.000 1.227 1138 L HN 0.815 nan 8.230 nan 0.000 0.415 1139 T N -1.095 113.574 114.554 0.191 0.000 2.816 1139 T HA 0.693 5.053 4.350 0.017 0.000 0.299 1139 T C -0.831 174.003 174.700 0.223 0.000 1.230 1139 T CA -0.778 61.433 62.100 0.186 0.000 1.007 1139 T CB 2.792 71.838 68.868 0.296 0.000 1.289 1139 T HN 0.289 nan 8.240 nan 0.000 0.508 1152 Y N -0.998 118.958 120.300 -0.573 0.000 2.531 1152 Y HA 0.508 5.073 4.550 0.024 0.000 0.249 1152 Y C -0.096 175.902 175.900 0.163 0.000 1.168 1152 Y CA -1.110 56.886 58.100 -0.174 0.000 1.226 1152 Y CB 0.122 38.390 38.460 -0.321 0.000 1.177 1152 Y HN 0.455 nan 8.280 nan 0.000 0.527 1153 W N 0.836 122.150 121.300 0.023 0.000 2.799 1153 W HA 0.881 5.544 4.660 0.004 0.000 0.349 1153 W C -3.091 173.537 176.519 0.182 0.000 1.100 1153 W CA -3.004 54.403 57.345 0.103 0.000 1.174 1153 W CB 0.380 29.769 29.460 -0.119 0.000 1.427 1153 W HN -0.281 nan 8.180 nan 0.000 0.547 1154 P HA 0.310 nan 4.420 nan 0.000 0.278 1154 P C -0.085 177.495 177.300 0.467 0.000 1.258 1154 P CA -0.275 63.008 63.100 0.305 0.000 0.811 1154 P CB 2.210 34.051 31.700 0.235 0.000 1.063 1155 S N -0.653 115.217 115.700 0.283 0.000 3.019 1155 S HA 0.146 4.627 4.470 0.017 0.000 0.258 1155 S C 1.907 176.596 174.600 0.149 0.000 1.082 1155 S CA 0.360 58.720 58.200 0.267 0.000 0.836 1155 S CB -0.833 62.519 63.200 0.254 0.000 0.834 1155 S HN 0.473 nan 8.310 nan 0.000 0.457 1156 K N 1.241 121.702 120.400 0.101 0.000 1.991 1156 K HA 0.226 4.556 4.320 0.017 0.000 0.207 1156 K C 1.104 177.735 176.600 0.052 0.000 1.045 1156 K CA 1.613 57.937 56.287 0.061 0.000 0.937 1156 K CB -0.835 31.687 32.500 0.037 0.000 0.720 1156 K HN 0.699 nan 8.250 nan 0.000 0.438 1157 Q N -2.788 117.040 119.800 0.047 0.000 2.687 1157 Q HA 0.709 5.059 4.340 0.017 0.000 0.305 1157 Q C -0.682 175.337 176.000 0.033 0.000 1.006 1157 Q CA -0.388 55.434 55.803 0.032 0.000 0.763 1157 Q CB 1.044 29.786 28.738 0.007 0.000 1.506 1157 Q HN 0.347 nan 8.270 nan 0.000 0.459 1158 A N 0.976 123.803 122.820 0.011 0.000 2.511 1158 A HA 0.395 4.725 4.320 0.017 0.000 0.242 1158 A C -0.492 177.050 177.584 -0.070 0.000 1.069 1158 A CA -0.025 52.007 52.037 -0.009 0.000 0.763 1158 A CB 0.072 19.059 19.000 -0.023 0.000 1.001 1158 A HN 0.396 nan 8.150 nan 0.000 0.498 1159 Q N 1.102 120.830 119.800 -0.121 0.000 2.353 1159 Q HA 0.293 4.643 4.340 0.017 0.000 0.268 1159 Q C -1.430 174.297 176.000 -0.455 0.000 1.045 1159 Q CA -0.601 55.010 55.803 -0.321 0.000 0.811 1159 Q CB 2.069 30.531 28.738 -0.460 0.000 1.305 1159 Q HN 0.751 nan 8.270 nan 0.000 0.447 1160 D N 2.075 122.208 120.400 -0.444 0.000 2.264 1160 D HA 0.228 4.878 4.640 0.017 0.000 0.250 1160 D C -0.722 175.244 176.300 -0.557 0.000 1.113 1160 D CA 0.224 54.004 54.000 -0.366 0.000 0.871 1160 D CB 0.479 41.154 40.800 -0.208 0.000 1.167 1160 D HN 0.298 nan 8.370 nan 0.000 0.447 1161 Y N 1.071 121.309 120.300 -0.103 0.000 2.686 1161 Y HA 0.452 5.010 4.550 0.013 0.000 0.331 1161 Y C 1.310 177.215 175.900 0.008 0.000 0.996 1161 Y CA -0.569 57.525 58.100 -0.009 0.000 1.293 1161 Y CB 1.341 39.837 38.460 0.060 0.000 1.092 1161 Y HN 0.654 nan 8.280 nan 0.000 0.524 1162 G N 1.890 110.742 108.800 0.087 0.000 2.536 1162 G HA2 -0.313 3.657 3.960 0.017 0.000 0.280 1162 G HA3 -0.313 3.657 3.960 0.017 0.000 0.280 1162 G C 0.409 175.302 174.900 -0.012 0.000 1.152 1162 G CA 0.436 45.566 45.100 0.049 0.000 0.970 1162 G HN 0.511 nan 8.290 nan 0.000 0.549 1163 D N 1.096 121.476 120.400 -0.033 0.000 2.342 1163 D HA 0.239 4.889 4.640 0.017 0.000 0.221 1163 D C 0.588 176.776 176.300 -0.187 0.000 1.101 1163 D CA 0.316 54.254 54.000 -0.103 0.000 0.837 1163 D CB 0.489 41.224 40.800 -0.107 0.000 0.938 1163 D HN 0.242 nan 8.370 nan 0.000 0.508 1164 I N 1.289 121.778 120.570 -0.136 0.000 2.404 1164 I HA 0.163 4.343 4.170 0.017 0.000 0.293 1164 I C 0.446 176.488 176.117 -0.126 0.000 0.992 1164 I CA -0.291 60.898 61.300 -0.185 0.000 1.149 1164 I CB 1.664 39.623 38.000 -0.069 0.000 1.315 1164 I HN -0.351 nan 8.210 nan 0.000 0.446 1165 T N 5.762 120.216 114.554 -0.166 0.000 2.767 1165 T HA 0.551 4.911 4.350 0.017 0.000 0.284 1165 T C 0.064 174.682 174.700 -0.136 0.000 0.973 1165 T CA -0.426 61.592 62.100 -0.137 0.000 0.996 1165 T CB 1.683 70.478 68.868 -0.121 0.000 0.927 1165 T HN 0.251 nan 8.240 nan 0.000 0.456 1166 V N 2.391 122.221 119.914 -0.140 0.000 2.459 1166 V HA 0.838 4.968 4.120 0.017 0.000 0.295 1166 V C -0.029 176.068 176.094 0.005 0.000 1.029 1166 V CA -0.920 61.276 62.300 -0.174 0.000 0.874 1166 V CB 1.429 32.914 31.823 -0.563 0.000 0.985 1166 V HN 1.076 nan 8.190 nan 0.000 0.438 1167 A N 5.348 128.236 122.820 0.113 0.000 2.374 1167 A HA 0.787 5.117 4.320 0.017 0.000 0.305 1167 A C -0.635 177.135 177.584 0.310 0.000 1.053 1167 A CA -0.610 51.529 52.037 0.171 0.000 0.726 1167 A CB 1.579 20.633 19.000 0.090 0.000 1.229 1167 A HN 0.903 nan 8.150 nan 0.000 0.431 1168 M N 2.880 122.657 119.600 0.295 0.000 2.211 1168 M HA 0.302 4.792 4.480 0.017 0.000 0.356 1168 M C 1.014 177.298 176.300 -0.028 0.000 1.216 1168 M CA 0.677 56.028 55.300 0.086 0.000 1.134 1168 M CB 0.975 33.620 32.600 0.075 0.000 1.564 1168 M HN 0.856 nan 8.290 nan 0.000 0.463 1169 T N -0.435 114.037 114.554 -0.137 0.000 2.975 1169 T HA 0.288 4.648 4.350 0.017 0.000 0.257 1169 T C 0.284 174.921 174.700 -0.105 0.000 1.003 1169 T CA -0.156 61.898 62.100 -0.077 0.000 0.932 1169 T CB 0.219 69.066 68.868 -0.036 0.000 1.087 1169 T HN 0.574 nan 8.240 nan 0.000 0.512 1170 S N 0.101 115.688 115.700 -0.189 0.000 2.542 1170 S HA 0.487 4.967 4.470 0.017 0.000 0.276 1170 S C -2.373 172.103 174.600 -0.207 0.000 1.148 1170 S CA -0.646 57.464 58.200 -0.150 0.000 0.886 1170 S CB 2.055 65.186 63.200 -0.116 0.000 1.109 1170 S HN 0.441 nan 8.310 nan 0.000 0.458 1171 E N 3.771 123.896 120.200 -0.126 0.000 2.265 1171 E HA 0.476 4.837 4.350 0.017 0.000 0.262 1171 E C -1.383 175.181 176.600 -0.060 0.000 0.889 1171 E CA -0.633 55.701 56.400 -0.110 0.000 0.789 1171 E CB 0.739 30.403 29.700 -0.060 0.000 1.221 1171 E HN 0.546 nan 8.360 nan 0.000 0.414 1172 I N 4.993 125.528 120.570 -0.057 0.000 2.354 1172 I HA 0.277 4.457 4.170 0.017 0.000 0.286 1172 I C -0.237 175.877 176.117 -0.004 0.000 1.007 1172 I CA -0.877 60.410 61.300 -0.022 0.000 1.167 1172 I CB 1.164 39.156 38.000 -0.013 0.000 1.320 1172 I HN 0.303 nan 8.210 nan 0.000 0.458 1173 V N 7.668 127.577 119.914 -0.009 0.000 2.406 1173 V HA 0.413 4.543 4.120 0.017 0.000 0.272 1173 V C 0.416 176.482 176.094 -0.048 0.000 1.043 1173 V CA -0.305 61.982 62.300 -0.021 0.000 0.915 1173 V CB 1.618 33.426 31.823 -0.024 0.000 0.988 1173 V HN 0.494 nan 8.190 nan 0.000 0.466 1174 L N 6.057 127.230 121.223 -0.083 0.000 2.286 1174 L HA 0.493 4.843 4.340 0.017 0.000 0.265 1174 L C -1.400 175.293 176.870 -0.296 0.000 1.012 1174 L CA -1.674 53.056 54.840 -0.183 0.000 0.818 1174 L CB 1.861 43.791 42.059 -0.215 0.000 1.337 1174 L HN 0.348 nan 8.230 nan 0.000 0.438 1175 P HA -0.115 nan 4.420 nan 0.000 0.215 1175 P C 1.083 178.107 177.300 -0.460 0.000 1.157 1175 P CA 1.544 64.440 63.100 -0.341 0.000 0.868 1175 P CB 0.306 31.825 31.700 -0.302 0.000 0.788 1176 E N -1.274 118.472 120.200 -0.757 0.000 2.340 1176 E HA 0.090 4.450 4.350 0.017 0.000 0.194 1176 E C 0.410 176.572 176.600 -0.730 0.000 0.996 1176 E CA 0.534 56.415 56.400 -0.865 0.000 0.869 1176 E CB -0.759 28.256 29.700 -1.141 0.000 0.835 1176 E HN 0.513 nan 8.360 nan 0.000 0.493 1177 W N -2.699 118.440 121.300 -0.269 0.000 3.146 1177 W HA 0.670 5.339 4.660 0.014 0.000 0.319 1177 W C -0.804 175.667 176.519 -0.081 0.000 1.258 1177 W CA -0.958 56.280 57.345 -0.179 0.000 1.189 1177 W CB 0.361 29.881 29.460 0.099 0.000 1.412 1177 W HN -0.159 nan 8.180 nan 0.000 0.567 1178 T N 2.410 117.105 114.554 0.234 0.000 2.856 1178 T HA 0.702 5.062 4.350 0.017 0.000 0.283 1178 T C -0.733 174.059 174.700 0.154 0.000 1.008 1178 T CA -0.630 61.556 62.100 0.143 0.000 0.997 1178 T CB 1.149 70.039 68.868 0.037 0.000 0.992 1178 T HN 0.390 nan 8.240 nan 0.000 0.454 1179 I N 3.064 123.649 120.570 0.026 0.000 2.410 1179 I HA 0.461 4.642 4.170 0.017 0.000 0.286 1179 I C 0.074 176.060 176.117 -0.219 0.000 1.009 1179 I CA -0.774 60.438 61.300 -0.146 0.000 1.111 1179 I CB 1.307 39.196 38.000 -0.186 0.000 1.262 1179 I HN 0.301 nan 8.210 nan 0.000 0.443 1180 R N 4.109 124.421 120.500 -0.314 0.000 2.562 1180 R HA 0.559 4.909 4.340 0.017 0.000 0.298 1180 R C -1.444 174.531 176.300 -0.543 0.000 0.961 1180 R CA -1.020 54.806 56.100 -0.458 0.000 0.881 1180 R CB 2.089 32.046 30.300 -0.572 0.000 1.159 1180 R HN 0.417 nan 8.270 nan 0.000 0.450 1181 D N 1.734 121.777 120.400 -0.595 0.000 2.185 1181 D HA 0.450 5.100 4.640 0.017 0.000 0.247 1181 D C -0.846 175.065 176.300 -0.649 0.000 1.027 1181 D CA 0.042 53.786 54.000 -0.426 0.000 0.861 1181 D CB 1.042 41.717 40.800 -0.207 0.000 1.202 1181 D HN 0.170 nan 8.370 nan 0.000 0.453 1182 F N -0.577 119.397 119.950 0.040 0.000 2.640 1182 F HA 0.544 5.078 4.527 0.013 0.000 0.324 1182 F C 0.490 176.340 175.800 0.083 0.000 1.077 1182 F CA -1.021 57.021 58.000 0.069 0.000 0.965 1182 F CB 1.636 40.704 39.000 0.113 0.000 1.351 1182 F HN 0.075 nan 8.300 nan 0.000 0.487 1183 T N -1.029 113.698 114.554 0.289 0.000 2.855 1183 T HA 0.786 5.146 4.350 0.017 0.000 0.281 1183 T C -1.212 173.588 174.700 0.167 0.000 1.007 1183 T CA -0.749 61.473 62.100 0.203 0.000 1.009 1183 T CB 1.480 70.426 68.868 0.131 0.000 0.983 1183 T HN 0.404 nan 8.240 nan 0.000 0.455 1184 V N 3.026 123.048 119.914 0.179 0.000 2.409 1184 V HA 0.570 4.700 4.120 0.017 0.000 0.290 1184 V C -0.141 176.004 176.094 0.086 0.000 1.017 1184 V CA -0.781 61.602 62.300 0.138 0.000 0.841 1184 V CB 1.339 33.345 31.823 0.304 0.000 1.003 1184 V HN 1.006 nan 8.190 nan 0.000 0.426 1185 K N 4.020 124.359 120.400 -0.102 0.000 2.413 1185 K HA 0.354 4.684 4.320 0.017 0.000 0.257 1185 K C -0.399 175.887 176.600 -0.523 0.000 0.946 1185 K CA -0.681 55.465 56.287 -0.236 0.000 0.823 1185 K CB 1.230 33.660 32.500 -0.116 0.000 1.109 1185 K HN 0.643 nan 8.250 nan 0.000 0.427 1186 N N 4.456 122.564 118.700 -0.986 0.000 2.427 1186 N HA -0.042 4.708 4.740 0.017 0.000 0.269 1186 N C 1.129 176.383 175.510 -0.428 0.000 1.235 1186 N CA 0.316 52.794 53.050 -0.953 0.000 0.934 1186 N CB 0.543 38.321 38.487 -1.182 0.000 1.121 1186 N HN 0.660 nan 8.380 nan 0.000 0.480 1187 I N 3.436 123.817 120.570 -0.314 0.000 2.493 1187 I HA -0.176 4.004 4.170 0.017 0.000 0.254 1187 I C 2.169 178.204 176.117 -0.137 0.000 1.160 1187 I CA 1.504 62.694 61.300 -0.184 0.000 1.445 1187 I CB -0.949 36.962 38.000 -0.147 0.000 1.086 1187 I HN 0.678 nan 8.210 nan 0.000 0.433 1188 Q N 0.367 120.080 119.800 -0.145 0.000 2.079 1188 Q HA -0.163 4.187 4.340 0.017 0.000 0.200 1188 Q C 2.426 178.389 176.000 -0.061 0.000 0.974 1188 Q CA 2.309 58.060 55.803 -0.086 0.000 0.840 1188 Q CB -0.067 28.629 28.738 -0.070 0.000 0.898 1188 Q HN 0.915 nan 8.270 nan 0.000 0.430 1189 T N -4.611 109.898 114.554 -0.075 0.000 3.014 1189 T HA 0.174 4.534 4.350 0.017 0.000 0.250 1189 T C 0.925 175.622 174.700 -0.005 0.000 1.060 1189 T CA 0.459 62.553 62.100 -0.009 0.000 1.040 1189 T CB 0.444 69.351 68.868 0.065 0.000 0.971 1189 T HN 0.161 nan 8.240 nan 0.000 0.497 1190 S N 0.131 115.797 115.700 -0.057 0.000 2.857 1190 S HA -0.178 4.303 4.470 0.017 0.000 0.268 1190 S C 0.061 174.667 174.600 0.009 0.000 1.297 1190 S CA 0.959 59.138 58.200 -0.035 0.000 1.280 1190 S CB -1.783 61.414 63.200 -0.006 0.000 1.562 1190 S HN 0.898 nan 8.310 nan 0.000 0.661 1191 E N 1.726 121.961 120.200 0.060 0.000 2.290 1191 E HA 0.413 4.773 4.350 0.017 0.000 0.277 1191 E C -0.189 176.526 176.600 0.192 0.000 1.035 1191 E CA 0.141 56.664 56.400 0.206 0.000 0.873 1191 E CB 0.754 30.697 29.700 0.404 0.000 1.029 1191 E HN 0.277 nan 8.360 nan 0.000 0.419 1192 S N 3.933 119.749 115.700 0.194 0.000 2.482 1192 S HA 0.353 4.833 4.470 0.017 0.000 0.303 1192 S C -1.317 173.460 174.600 0.295 0.000 1.091 1192 S CA -0.610 57.689 58.200 0.166 0.000 1.057 1192 S CB 0.613 63.881 63.200 0.114 0.000 1.031 1192 S HN 0.590 nan 8.310 nan 0.000 0.485 1193 H N 2.844 122.092 119.070 0.296 0.000 2.569 1193 H HA 0.505 5.071 4.556 0.017 0.000 0.357 1193 H C -2.437 172.993 175.328 0.170 0.000 1.153 1193 H CA -2.474 53.681 56.048 0.178 0.000 1.193 1193 H CB 1.585 31.419 29.762 0.119 0.000 1.602 1193 H HN 0.443 nan 8.280 nan 0.000 0.523 1194 P HA 0.170 nan 4.420 nan 0.000 0.274 1194 P C -0.949 176.484 177.300 0.222 0.000 1.246 1194 P CA -0.461 62.759 63.100 0.200 0.000 0.795 1194 P CB 1.295 33.076 31.700 0.134 0.000 1.006 1195 L N 0.178 121.536 121.223 0.226 0.000 2.565 1195 L HA 0.546 4.896 4.340 0.017 0.000 0.261 1195 L C -0.993 176.002 176.870 0.209 0.000 0.932 1195 L CA -0.752 54.247 54.840 0.264 0.000 0.878 1195 L CB 2.188 44.483 42.059 0.393 0.000 1.333 1195 L HN 0.294 nan 8.230 nan 0.000 0.409 1196 R N 3.583 124.162 120.500 0.130 0.000 2.534 1196 R HA 0.465 4.815 4.340 0.017 0.000 0.301 1196 R C -1.393 174.836 176.300 -0.118 0.000 0.961 1196 R CA -0.427 55.627 56.100 -0.077 0.000 0.871 1196 R CB 1.841 32.029 30.300 -0.186 0.000 1.170 1196 R HN 0.702 nan 8.270 nan 0.000 0.446 1197 Q N 4.577 124.254 119.800 -0.205 0.000 2.333 1197 Q HA 0.306 4.656 4.340 0.017 0.000 0.267 1197 Q C -1.633 174.184 176.000 -0.306 0.000 1.012 1197 Q CA -0.622 55.133 55.803 -0.080 0.000 0.824 1197 Q CB 1.126 29.931 28.738 0.112 0.000 1.290 1197 Q HN 0.535 nan 8.270 nan 0.000 0.449 1198 F N 2.906 122.929 119.950 0.121 0.000 2.375 1198 F HA 0.290 4.830 4.527 0.021 0.000 0.361 1198 F C -0.102 175.924 175.800 0.377 0.000 1.117 1198 F CA -0.613 57.496 58.000 0.182 0.000 1.037 1198 F CB 1.177 40.186 39.000 0.016 0.000 1.192 1198 F HN 0.538 nan 8.300 nan 0.000 0.452 1199 H N 4.539 123.836 119.070 0.378 0.000 2.638 1199 H HA 0.287 4.851 4.556 0.014 0.000 0.303 1199 H C -1.240 174.248 175.328 0.266 0.000 1.034 1199 H CA -0.895 55.303 56.048 0.249 0.000 1.225 1199 H CB 0.729 30.544 29.762 0.088 0.000 1.394 1199 H HN 0.603 nan 8.280 nan 0.000 0.477 1200 F N 5.116 125.141 119.950 0.126 0.000 2.445 1200 F HA 0.067 4.606 4.527 0.019 0.000 0.359 1200 F C 1.089 176.886 175.800 -0.006 0.000 1.101 1200 F CA 0.004 57.896 58.000 -0.180 0.000 1.177 1200 F CB 1.110 39.669 39.000 -0.735 0.000 1.110 1200 F HN 0.589 nan 8.300 nan 0.000 0.522 1201 T N -0.812 113.538 114.554 -0.339 0.000 3.040 1201 T HA 0.091 4.451 4.350 0.017 0.000 0.250 1201 T C 0.452 175.114 174.700 -0.064 0.000 1.058 1201 T CA 0.473 62.413 62.100 -0.265 0.000 0.988 1201 T CB -0.219 68.397 68.868 -0.419 0.000 0.993 1201 T HN 0.464 nan 8.240 nan 0.000 0.519 1202 S N 0.134 115.834 115.700 0.000 0.000 2.359 1202 S HA 0.352 4.832 4.470 0.017 0.000 0.148 1202 S C -1.274 173.572 174.600 0.410 0.000 1.610 1202 S CA -0.883 57.411 58.200 0.157 0.000 1.274 1202 S CB -0.214 63.002 63.200 0.026 0.000 1.380 1202 S HN 0.407 nan 8.310 nan 0.000 0.380 1203 W N 4.098 125.559 121.300 0.269 0.000 2.278 1203 W HA 0.523 5.192 4.660 0.015 0.000 0.317 1203 W C -3.228 173.302 176.519 0.019 0.000 1.030 1203 W CA -2.783 54.623 57.345 0.101 0.000 1.334 1203 W CB 1.086 30.530 29.460 -0.026 0.000 1.215 1203 W HN 0.266 nan 8.180 nan 0.000 0.405 1204 P HA -0.036 nan 4.420 nan 0.000 0.271 1204 P C -0.154 177.203 177.300 0.096 0.000 1.218 1204 P CA 0.215 63.424 63.100 0.181 0.000 0.780 1204 P CB 0.817 32.597 31.700 0.133 0.000 0.901 1205 D N 1.868 122.243 120.400 -0.041 0.000 2.424 1205 D HA -0.048 4.602 4.640 0.017 0.000 0.244 1205 D C 0.792 176.963 176.300 -0.215 0.000 1.134 1205 D CA 0.761 54.604 54.000 -0.262 0.000 0.881 1205 D CB -0.018 40.562 40.800 -0.367 0.000 1.191 1205 D HN 0.479 nan 8.370 nan 0.000 0.445 1206 H N 0.154 119.210 119.070 -0.023 0.000 3.631 1206 H HA -0.160 4.407 4.556 0.018 0.000 0.202 1206 H C 0.756 176.103 175.328 0.032 0.000 1.029 1206 H CA 1.177 57.222 56.048 -0.004 0.000 1.208 1206 H CB -1.587 28.170 29.762 -0.009 0.000 1.124 1206 H HN 0.439 nan 8.280 nan 0.000 0.329 1207 G N -0.147 108.744 108.800 0.152 0.000 3.107 1207 G HA2 0.694 4.664 3.960 0.017 0.000 0.232 1207 G HA3 0.694 4.664 3.960 0.017 0.000 0.232 1207 G C -0.040 174.980 174.900 0.200 0.000 1.339 1207 G CA 0.006 45.189 45.100 0.138 0.000 1.033 1207 G HN 0.557 nan 8.290 nan 0.000 0.567 1208 V N -3.385 116.488 119.914 -0.068 0.000 3.078 1208 V HA 0.733 4.863 4.120 0.017 0.000 0.311 1208 V C -2.877 172.762 176.094 -0.759 0.000 1.138 1208 V CA -2.358 59.573 62.300 -0.614 0.000 1.007 1208 V CB 1.586 32.741 31.823 -1.113 0.000 1.045 1208 V HN 0.556 nan 8.190 nan 0.000 0.432 1209 P HA 0.211 nan 4.420 nan 0.000 0.270 1209 P C -0.083 177.061 177.300 -0.261 0.000 1.227 1209 P CA 0.127 62.873 63.100 -0.590 0.000 0.788 1209 P CB 0.470 31.806 31.700 -0.607 0.000 0.926 1210 D N -1.262 119.109 120.400 -0.048 0.000 2.178 1210 D HA -0.064 4.586 4.640 0.017 0.000 0.201 1210 D C 0.883 177.233 176.300 0.084 0.000 0.980 1210 D CA 1.596 55.605 54.000 0.016 0.000 0.842 1210 D CB -0.226 40.592 40.800 0.029 0.000 0.948 1210 D HN 0.524 nan 8.370 nan 0.000 0.472 1211 T N -4.668 109.966 114.554 0.134 0.000 2.883 1211 T HA 0.389 4.749 4.350 0.017 0.000 0.296 1211 T C 1.179 176.025 174.700 0.243 0.000 1.117 1211 T CA -0.196 62.004 62.100 0.166 0.000 1.006 1211 T CB 1.712 70.641 68.868 0.100 0.000 1.191 1211 T HN -0.037 nan 8.240 nan 0.000 0.508 1212 T N -1.543 113.067 114.554 0.092 0.000 2.857 1212 T HA -0.046 4.314 4.350 0.017 0.000 0.266 1212 T C 1.246 175.960 174.700 0.023 0.000 1.048 1212 T CA 1.276 63.327 62.100 -0.081 0.000 1.139 1212 T CB -0.729 67.954 68.868 -0.308 0.000 0.874 1212 T HN 0.575 nan 8.240 nan 0.000 0.455 1213 D N 1.620 122.056 120.400 0.060 0.000 2.133 1213 D HA -0.056 4.594 4.640 0.017 0.000 0.195 1213 D C 2.067 178.500 176.300 0.221 0.000 0.997 1213 D CA 0.892 54.959 54.000 0.112 0.000 0.840 1213 D CB -0.440 40.418 40.800 0.097 0.000 0.947 1213 D HN 0.378 nan 8.370 nan 0.000 0.452 1214 L N -0.147 121.231 121.223 0.259 0.000 2.046 1214 L HA -0.182 4.168 4.340 0.017 0.000 0.208 1214 L C 2.410 179.568 176.870 0.478 0.000 1.077 1214 L CA 0.574 55.684 54.840 0.450 0.000 0.747 1214 L CB -0.337 41.980 42.059 0.429 0.000 0.896 1214 L HN 0.109 nan 8.230 nan 0.000 0.432 1215 L N -0.069 121.272 121.223 0.196 0.000 2.027 1215 L HA -0.155 4.195 4.340 0.017 0.000 0.206 1215 L C 2.291 179.267 176.870 0.178 0.000 1.074 1215 L CA 1.665 56.552 54.840 0.078 0.000 0.745 1215 L CB -0.297 41.753 42.059 -0.014 0.000 0.898 1215 L HN 0.066 nan 8.230 nan 0.000 0.433 1216 I N -0.084 120.566 120.570 0.134 0.000 2.179 1216 I HA -0.294 3.886 4.170 0.017 0.000 0.242 1216 I C 1.998 178.265 176.117 0.251 0.000 1.088 1216 I CA 1.269 62.647 61.300 0.130 0.000 1.357 1216 I CB -0.540 37.529 38.000 0.115 0.000 1.051 1216 I HN 0.353 nan 8.210 nan 0.000 0.409 1217 N N 0.649 119.521 118.700 0.287 0.000 2.188 1217 N HA -0.188 4.562 4.740 0.017 0.000 0.184 1217 N C 1.717 177.289 175.510 0.104 0.000 1.018 1217 N CA 1.161 54.385 53.050 0.290 0.000 0.858 1217 N CB -0.548 38.182 38.487 0.406 0.000 0.989 1217 N HN 0.285 nan 8.380 nan 0.000 0.426 1218 F N 2.601 122.501 119.950 -0.082 0.000 2.102 1218 F HA -0.086 4.450 4.527 0.015 0.000 0.298 1218 F C 2.478 178.180 175.800 -0.164 0.000 1.105 1218 F CA 1.245 58.996 58.000 -0.414 0.000 1.239 1218 F CB -0.134 38.902 39.000 0.059 0.000 0.991 1218 F HN -0.106 nan 8.300 nan 0.000 0.474 1219 R N -0.202 120.287 120.500 -0.018 0.000 2.083 1219 R HA -0.245 4.105 4.340 0.017 0.000 0.237 1219 R C 2.194 178.306 176.300 -0.313 0.000 1.137 1219 R CA 2.176 58.173 56.100 -0.171 0.000 0.951 1219 R CB -1.425 28.711 30.300 -0.273 0.000 0.851 1219 R HN 0.398 nan 8.270 nan 0.000 0.434 1220 Y N 0.667 120.844 120.300 -0.205 0.000 2.293 1220 Y HA -0.176 4.384 4.550 0.016 0.000 0.291 1220 Y C 2.268 178.058 175.900 -0.183 0.000 1.137 1220 Y CA 1.290 59.285 58.100 -0.175 0.000 1.202 1220 Y CB -0.361 38.035 38.460 -0.106 0.000 0.990 1220 Y HN 0.081 nan 8.280 nan 0.000 0.537 1221 L N -0.872 120.267 121.223 -0.141 0.000 2.012 1221 L HA -0.196 4.154 4.340 0.017 0.000 0.210 1221 L C 2.179 178.829 176.870 -0.367 0.000 1.073 1221 L CA 1.384 56.094 54.840 -0.216 0.000 0.748 1221 L CB -0.684 41.033 42.059 -0.569 0.000 0.891 1221 L HN 0.004 nan 8.230 nan 0.000 0.431 1222 V N -0.027 119.426 119.914 -0.768 0.000 2.287 1222 V HA -0.281 3.849 4.120 0.017 0.000 0.248 1222 V C 2.797 178.590 176.094 -0.502 0.000 1.053 1222 V CA 1.901 63.549 62.300 -1.085 0.000 1.027 1222 V CB -0.869 30.431 31.823 -0.872 0.000 0.646 1222 V HN 0.450 nan 8.190 nan 0.000 0.447 1223 R N 0.041 120.381 120.500 -0.267 0.000 2.092 1223 R HA -0.113 4.237 4.340 0.017 0.000 0.231 1223 R C 2.158 178.434 176.300 -0.040 0.000 1.119 1223 R CA 1.492 57.519 56.100 -0.121 0.000 0.970 1223 R CB -1.101 29.116 30.300 -0.137 0.000 0.864 1223 R HN 0.657 nan 8.270 nan 0.000 0.440 1224 D N -0.998 119.405 120.400 0.004 0.000 2.277 1224 D HA -0.083 4.567 4.640 0.017 0.000 0.208 1224 D C 0.878 177.130 176.300 -0.080 0.000 0.962 1224 D CA 0.471 54.468 54.000 -0.006 0.000 0.865 1224 D CB 0.022 40.846 40.800 0.039 0.000 0.939 1224 D HN 0.374 nan 8.370 nan 0.000 0.510 1225 Y N -0.559 119.751 120.300 0.017 0.000 2.467 1225 Y HA 0.463 5.024 4.550 0.018 0.000 0.250 1225 Y C 1.202 177.250 175.900 0.247 0.000 1.155 1225 Y CA -0.259 57.938 58.100 0.162 0.000 1.249 1225 Y CB 0.068 38.728 38.460 0.333 0.000 1.146 1225 Y HN 0.107 nan 8.280 nan 0.000 0.524 1233 S N 2.618 118.260 115.700 -0.098 0.000 2.437 1233 S HA 0.679 5.159 4.470 0.017 0.000 0.305 1233 S C -2.565 171.988 174.600 -0.078 0.000 1.109 1233 S CA -1.026 57.124 58.200 -0.084 0.000 1.099 1233 S CB 1.693 64.841 63.200 -0.086 0.000 1.004 1233 S HN 0.380 nan 8.310 nan 0.000 0.475 1234 P HA 0.320 nan 4.420 nan 0.000 0.275 1234 P C -0.841 176.431 177.300 -0.047 0.000 1.228 1234 P CA -0.414 62.664 63.100 -0.035 0.000 0.786 1234 P CB 0.336 32.088 31.700 0.087 0.000 0.927 1235 I N 2.294 122.801 120.570 -0.106 0.000 2.342 1235 I HA 0.150 4.331 4.170 0.017 0.000 0.291 1235 I C 0.225 176.440 176.117 0.163 0.000 1.010 1235 I CA -0.737 60.574 61.300 0.018 0.000 1.308 1235 I CB 0.632 38.622 38.000 -0.017 0.000 1.400 1235 I HN 0.161 nan 8.210 nan 0.000 0.488 1236 L N 9.085 130.391 121.223 0.139 0.000 2.260 1236 L HA 0.465 4.815 4.340 0.017 0.000 0.289 1236 L C -0.453 176.529 176.870 0.187 0.000 1.057 1236 L CA -0.074 54.837 54.840 0.119 0.000 0.811 1236 L CB 1.038 43.094 42.059 -0.005 0.000 1.184 1236 L HN 0.302 nan 8.230 nan 0.000 0.429 1237 V N 5.353 125.383 119.914 0.192 0.000 2.495 1237 V HA 0.588 4.719 4.120 0.017 0.000 0.298 1237 V C -0.631 175.538 176.094 0.125 0.000 1.031 1237 V CA -0.617 61.755 62.300 0.120 0.000 0.871 1237 V CB 1.394 33.288 31.823 0.119 0.000 0.988 1237 V HN 0.997 nan 8.190 nan 0.000 0.432 1238 H N 1.567 120.637 119.070 -0.000 0.000 2.980 1238 H HA 0.923 5.488 4.556 0.015 0.000 0.367 1238 H C -0.537 174.751 175.328 -0.065 0.000 1.206 1238 H CA -0.277 55.755 56.048 -0.028 0.000 1.126 1238 H CB 2.143 31.899 29.762 -0.010 0.000 1.838 1238 H HN 0.711 nan 8.280 nan 0.000 0.552 1239 S N 0.692 116.401 115.700 0.014 0.000 2.776 1239 S HA 0.312 4.792 4.470 0.017 0.000 0.292 1239 S C 0.807 175.435 174.600 0.046 0.000 1.187 1239 S CA -0.312 57.853 58.200 -0.058 0.000 0.834 1239 S CB 1.130 64.201 63.200 -0.215 0.000 1.199 1239 S HN 0.737 nan 8.310 nan 0.000 0.514 1240 S N 0.436 116.145 115.700 0.015 0.000 2.369 1240 S HA -0.165 4.315 4.470 0.017 0.000 0.225 1240 S C 1.819 176.504 174.600 0.142 0.000 1.043 1240 S CA 2.107 60.350 58.200 0.071 0.000 1.074 1240 S CB -1.148 62.096 63.200 0.073 0.000 0.962 1240 S HN 1.155 nan 8.310 nan 0.000 0.433 1241 A N -0.964 121.937 122.820 0.135 0.000 2.095 1241 A HA 0.512 4.842 4.320 0.017 0.000 0.212 1241 A C 1.678 179.299 177.584 0.062 0.000 1.162 1241 A CA 1.016 53.164 52.037 0.185 0.000 0.753 1241 A CB -0.673 18.344 19.000 0.028 0.000 0.840 1241 A HN 1.501 nan 8.150 nan 0.000 0.468 1242 G N -1.126 107.678 108.800 0.007 0.000 2.137 1242 G HA2 -0.195 3.775 3.960 0.017 0.000 0.237 1242 G HA3 -0.195 3.775 3.960 0.017 0.000 0.237 1242 G C 0.845 175.726 174.900 -0.031 0.000 1.002 1242 G CA 0.912 46.007 45.100 -0.008 0.000 0.702 1242 G HN 1.618 nan 8.290 nan 0.000 0.515 1243 V N -3.960 115.922 119.914 -0.053 0.000 3.161 1243 V HA 0.668 4.798 4.120 0.017 0.000 0.221 1243 V C 2.306 178.367 176.094 -0.055 0.000 1.296 1243 V CA 1.529 63.803 62.300 -0.044 0.000 1.306 1243 V CB -0.620 31.182 31.823 -0.035 0.000 1.171 1243 V HN 0.874 nan 8.190 nan 0.000 0.513 1244 G N 0.693 109.438 108.800 -0.091 0.000 2.496 1244 G HA2 -0.080 3.890 3.960 0.017 0.000 0.214 1244 G HA3 -0.080 3.890 3.960 0.017 0.000 0.214 1244 G C 1.670 176.464 174.900 -0.177 0.000 1.234 1244 G CA 0.900 45.950 45.100 -0.083 0.000 0.807 1244 G HN 0.480 nan 8.290 nan 0.000 0.543 1245 R N -0.222 120.018 120.500 -0.434 0.000 2.090 1245 R HA 0.026 4.376 4.340 0.017 0.000 0.228 1245 R C 2.844 178.788 176.300 -0.594 0.000 1.110 1245 R CA 1.480 57.004 56.100 -0.960 0.000 0.973 1245 R CB -0.647 28.727 30.300 -1.543 0.000 0.869 1245 R HN 0.264 nan 8.270 nan 0.000 0.440 1246 T N 0.147 114.504 114.554 -0.329 0.000 2.684 1246 T HA -0.137 4.223 4.350 0.017 0.000 0.267 1246 T C 1.926 176.611 174.700 -0.025 0.000 1.036 1246 T CA 1.616 63.637 62.100 -0.132 0.000 1.148 1246 T CB -0.511 68.305 68.868 -0.087 0.000 0.863 1246 T HN 0.548 nan 8.240 nan 0.000 0.436 1247 G N 0.918 109.701 108.800 -0.030 0.000 2.402 1247 G HA2 -0.193 3.777 3.960 0.017 0.000 0.216 1247 G HA3 -0.193 3.777 3.960 0.017 0.000 0.216 1247 G C 1.729 176.664 174.900 0.059 0.000 1.162 1247 G CA 1.373 46.481 45.100 0.013 0.000 0.777 1247 G HN 0.453 nan 8.290 nan 0.000 0.539 1248 T N 0.803 115.429 114.554 0.120 0.000 2.746 1248 T HA -0.123 4.237 4.350 0.017 0.000 0.267 1248 T C 1.915 176.783 174.700 0.280 0.000 1.039 1248 T CA 1.126 63.376 62.100 0.251 0.000 1.142 1248 T CB -0.288 68.848 68.868 0.447 0.000 0.866 1248 T HN 0.236 nan 8.240 nan 0.000 0.444 1249 F N 1.717 121.779 119.950 0.187 0.000 2.069 1249 F HA -0.070 4.468 4.527 0.019 0.000 0.298 1249 F C 1.999 177.779 175.800 -0.032 0.000 1.113 1249 F CA 1.079 59.172 58.000 0.154 0.000 1.214 1249 F CB -0.519 38.568 39.000 0.145 0.000 0.978 1249 F HN 0.066 nan 8.300 nan 0.000 0.474 1250 I N 0.292 120.753 120.570 -0.182 0.000 2.208 1250 I HA -0.337 3.843 4.170 0.017 0.000 0.245 1250 I C 2.687 178.603 176.117 -0.335 0.000 1.097 1250 I CA 1.249 62.232 61.300 -0.528 0.000 1.363 1250 I CB -0.981 36.665 38.000 -0.590 0.000 1.051 1250 I HN 0.277 nan 8.210 nan 0.000 0.413 1251 A N 0.660 123.384 122.820 -0.161 0.000 1.883 1251 A HA -0.242 4.088 4.320 0.017 0.000 0.217 1251 A C 2.291 179.804 177.584 -0.118 0.000 1.186 1251 A CA 1.796 53.786 52.037 -0.078 0.000 0.624 1251 A CB -0.762 18.241 19.000 0.005 0.000 0.822 1251 A HN 0.367 nan 8.150 nan 0.000 0.444 1252 I N 0.473 120.943 120.570 -0.168 0.000 2.315 1252 I HA -0.172 4.008 4.170 0.017 0.000 0.248 1252 I C 1.837 177.778 176.117 -0.294 0.000 1.117 1252 I CA 1.938 63.113 61.300 -0.208 0.000 1.404 1252 I CB -0.579 37.312 38.000 -0.181 0.000 1.071 1252 I HN 0.468 nan 8.210 nan 0.000 0.419 1253 D N 0.012 120.178 120.400 -0.391 0.000 2.123 1253 D HA -0.214 4.436 4.640 0.017 0.000 0.196 1253 D C 2.360 178.605 176.300 -0.091 0.000 0.992 1253 D CA 1.544 55.344 54.000 -0.333 0.000 0.833 1253 D CB -0.012 40.614 40.800 -0.290 0.000 0.954 1253 D HN 0.280 nan 8.370 nan 0.000 0.455 1254 R N -0.380 120.122 120.500 0.003 0.000 2.073 1254 R HA -0.037 4.313 4.340 0.017 0.000 0.234 1254 R C 2.602 178.915 176.300 0.023 0.000 1.134 1254 R CA 0.896 57.073 56.100 0.129 0.000 0.952 1254 R CB -0.426 29.946 30.300 0.120 0.000 0.850 1254 R HN 0.278 nan 8.270 nan 0.000 0.433 1255 L N 0.489 121.673 121.223 -0.065 0.000 2.042 1255 L HA -0.221 4.129 4.340 0.017 0.000 0.210 1255 L C 2.380 179.141 176.870 -0.181 0.000 1.076 1255 L CA 1.376 56.148 54.840 -0.113 0.000 0.749 1255 L CB -0.353 41.622 42.059 -0.140 0.000 0.893 1255 L HN 0.193 nan 8.230 nan 0.000 0.432 1256 I N -1.736 118.681 120.570 -0.255 0.000 2.226 1256 I HA -0.336 3.844 4.170 0.017 0.000 0.245 1256 I C 2.321 178.233 176.117 -0.342 0.000 1.100 1256 I CA 1.530 62.636 61.300 -0.323 0.000 1.374 1256 I CB -0.328 37.385 38.000 -0.478 0.000 1.057 1256 I HN 0.137 nan 8.210 nan 0.000 0.413 1257 Y N 0.438 120.509 120.300 -0.382 0.000 2.165 1257 Y HA -0.337 4.223 4.550 0.017 0.000 0.286 1257 Y C 2.847 178.289 175.900 -0.764 0.000 1.155 1257 Y CA 1.555 59.276 58.100 -0.632 0.000 1.164 1257 Y CB -0.240 37.644 38.460 -0.961 0.000 0.978 1257 Y HN 0.213 nan 8.280 nan 0.000 0.513 1258 Q N 0.469 120.028 119.800 -0.402 0.000 2.084 1258 Q HA -0.202 4.148 4.340 0.017 0.000 0.202 1258 Q C 2.110 178.044 176.000 -0.110 0.000 0.978 1258 Q CA 1.777 57.486 55.803 -0.157 0.000 0.844 1258 Q CB -0.210 28.546 28.738 0.029 0.000 0.898 1258 Q HN 0.556 nan 8.270 nan 0.000 0.426 1259 I N 0.478 120.965 120.570 -0.138 0.000 2.179 1259 I HA -0.271 3.909 4.170 0.017 0.000 0.242 1259 I C 2.087 178.149 176.117 -0.091 0.000 1.088 1259 I CA 1.362 62.590 61.300 -0.119 0.000 1.357 1259 I CB -0.214 37.696 38.000 -0.150 0.000 1.051 1259 I HN 0.246 nan 8.210 nan 0.000 0.409 1260 E N 0.701 120.837 120.200 -0.106 0.000 2.072 1260 E HA -0.190 4.170 4.350 0.017 0.000 0.191 1260 E C 1.764 178.343 176.600 -0.034 0.000 0.985 1260 E CA 1.588 57.950 56.400 -0.063 0.000 0.801 1260 E CB -0.080 29.583 29.700 -0.061 0.000 0.750 1260 E HN 0.588 nan 8.360 nan 0.000 0.452 1261 N N -0.400 118.271 118.700 -0.048 0.000 2.428 1261 N HA 0.004 4.754 4.740 0.017 0.000 0.181 1261 N C 0.441 175.974 175.510 0.038 0.000 1.028 1261 N CA 0.213 53.270 53.050 0.012 0.000 0.877 1261 N CB 0.397 38.907 38.487 0.039 0.000 1.064 1261 N HN -0.072 nan 8.380 nan 0.000 0.434 1262 E N 0.163 120.386 120.200 0.038 0.000 2.330 1262 E HA 0.270 4.630 4.350 0.017 0.000 0.256 1262 E C -0.571 176.032 176.600 0.005 0.000 1.146 1262 E CA -0.287 56.137 56.400 0.039 0.000 0.945 1262 E CB 0.596 30.334 29.700 0.064 0.000 1.182 1262 E HN 0.018 nan 8.360 nan 0.000 0.480 1263 N N -0.063 118.639 118.700 0.004 0.000 2.610 1263 N HA 0.184 4.935 4.740 0.017 0.000 0.309 1263 N C -1.765 173.737 175.510 -0.014 0.000 1.536 1263 N CA -0.103 52.941 53.050 -0.010 0.000 0.954 1263 N CB 0.320 38.806 38.487 -0.002 0.000 1.310 1263 N HN 0.437 nan 8.380 nan 0.000 0.502 1264 T N -3.253 111.288 114.554 -0.021 0.000 2.864 1264 T HA 0.725 5.085 4.350 0.017 0.000 0.299 1264 T C -0.794 173.877 174.700 -0.048 0.000 1.166 1264 T CA -0.705 61.384 62.100 -0.018 0.000 1.007 1264 T CB 1.631 70.503 68.868 0.006 0.000 1.219 1264 T HN -0.223 nan 8.240 nan 0.000 0.506 1265 V N 1.064 120.951 119.914 -0.044 0.000 2.709 1265 V HA 0.736 4.866 4.120 0.017 0.000 0.308 1265 V C -1.178 174.924 176.094 0.013 0.000 1.062 1265 V CA -0.675 61.584 62.300 -0.069 0.000 0.901 1265 V CB 1.937 33.634 31.823 -0.210 0.000 1.003 1265 V HN 1.110 nan 8.190 nan 0.000 0.425 1266 D N 2.415 122.840 120.400 0.041 0.000 2.714 1266 D HA 0.284 4.934 4.640 0.017 0.000 0.264 1266 D C 0.553 176.936 176.300 0.138 0.000 1.231 1266 D CA -0.121 53.941 54.000 0.102 0.000 0.802 1266 D CB 1.489 42.344 40.800 0.092 0.000 1.319 1266 D HN 0.157 nan 8.370 nan 0.000 0.528 1267 V N 1.505 121.511 119.914 0.154 0.000 2.295 1267 V HA -0.239 3.891 4.120 0.017 0.000 0.246 1267 V C 2.073 178.332 176.094 0.276 0.000 1.049 1267 V CA 1.548 63.923 62.300 0.124 0.000 1.024 1267 V CB -0.850 30.960 31.823 -0.021 0.000 0.648 1267 V HN 0.540 nan 8.190 nan 0.000 0.447 1268 Y N 1.986 122.463 120.300 0.296 0.000 2.097 1268 Y HA -0.210 4.350 4.550 0.017 0.000 0.282 1268 Y C 2.423 178.489 175.900 0.276 0.000 1.152 1268 Y CA 2.067 60.394 58.100 0.378 0.000 1.136 1268 Y CB -0.862 37.791 38.460 0.321 0.000 0.975 1268 Y HN 0.209 nan 8.280 nan 0.000 0.498 1269 G N -0.090 108.913 108.800 0.339 0.000 2.432 1269 G HA2 -0.238 3.732 3.960 0.017 0.000 0.219 1269 G HA3 -0.238 3.732 3.960 0.017 0.000 0.219 1269 G C 1.664 176.655 174.900 0.152 0.000 1.135 1269 G CA 1.253 46.469 45.100 0.194 0.000 0.767 1269 G HN 0.513 nan 8.290 nan 0.000 0.550 1270 I N 0.182 120.839 120.570 0.145 0.000 2.286 1270 I HA -0.102 4.078 4.170 0.017 0.000 0.245 1270 I C 2.701 178.894 176.117 0.126 0.000 1.104 1270 I CA 0.367 61.740 61.300 0.122 0.000 1.397 1270 I CB -0.061 37.996 38.000 0.095 0.000 1.072 1270 I HN 0.019 nan 8.210 nan 0.000 0.417 1271 V N 0.021 120.015 119.914 0.133 0.000 2.358 1271 V HA -0.309 3.821 4.120 0.017 0.000 0.246 1271 V C 2.263 178.384 176.094 0.046 0.000 1.047 1271 V CA 1.720 64.087 62.300 0.113 0.000 1.035 1271 V CB -0.835 31.110 31.823 0.204 0.000 0.658 1271 V HN 0.367 nan 8.190 nan 0.000 0.452 1272 Y N 1.646 121.860 120.300 -0.144 0.000 2.069 1272 Y HA -0.351 4.209 4.550 0.017 0.000 0.278 1272 Y C 2.431 178.314 175.900 -0.029 0.000 1.175 1272 Y CA 2.372 60.373 58.100 -0.164 0.000 1.134 1272 Y CB -0.531 37.806 38.460 -0.204 0.000 0.965 1272 Y HN 0.381 nan 8.280 nan 0.000 0.498 1273 D N -0.456 120.136 120.400 0.320 0.000 2.123 1273 D HA -0.193 4.457 4.640 0.017 0.000 0.196 1273 D C 2.244 178.740 176.300 0.326 0.000 0.992 1273 D CA 1.614 55.801 54.000 0.312 0.000 0.833 1273 D CB -0.362 40.580 40.800 0.237 0.000 0.954 1273 D HN 0.450 nan 8.370 nan 0.000 0.455 1274 L N -0.035 121.312 121.223 0.206 0.000 2.012 1274 L HA -0.164 4.186 4.340 0.017 0.000 0.210 1274 L C 2.666 179.640 176.870 0.174 0.000 1.073 1274 L CA 1.062 56.014 54.840 0.186 0.000 0.748 1274 L CB -0.490 41.629 42.059 0.100 0.000 0.891 1274 L HN 0.051 nan 8.230 nan 0.000 0.431 1275 R N -0.368 120.169 120.500 0.062 0.000 2.127 1275 R HA -0.117 4.233 4.340 0.017 0.000 0.238 1275 R C 2.012 178.318 176.300 0.011 0.000 1.134 1275 R CA 1.079 57.182 56.100 0.005 0.000 0.975 1275 R CB -0.481 29.724 30.300 -0.157 0.000 0.865 1275 R HN 0.368 nan 8.270 nan 0.000 0.447 1276 M N -0.220 119.340 119.600 -0.068 0.000 2.460 1276 M HA -0.082 4.408 4.480 0.017 0.000 0.263 1276 M C 0.791 176.875 176.300 -0.361 0.000 1.071 1276 M CA 1.538 56.687 55.300 -0.252 0.000 1.096 1276 M CB -0.637 31.798 32.600 -0.275 0.000 1.408 1276 M HN 0.193 nan 8.290 nan 0.000 0.463 1277 H N -1.753 117.415 119.070 0.163 0.000 2.885 1277 H HA 0.378 4.945 4.556 0.017 0.000 0.260 1277 H C 0.371 175.855 175.328 0.261 0.000 0.985 1277 H CA -0.011 56.169 56.048 0.220 0.000 1.210 1277 H CB 0.932 30.788 29.762 0.157 0.000 1.466 1277 H HN 0.144 nan 8.280 nan 0.000 0.493 1278 R N 0.814 121.494 120.500 0.301 0.000 2.629 1278 R HA 0.240 4.590 4.340 0.017 0.000 0.266 1278 R C -3.129 173.180 176.300 0.014 0.000 1.051 1278 R CA -2.020 54.104 56.100 0.041 0.000 0.895 1278 R CB 1.670 31.983 30.300 0.022 0.000 1.246 1278 R HN -0.101 nan 8.270 nan 0.000 0.459 1279 P HA 0.086 nan 4.420 nan 0.000 0.270 1279 P C 0.191 177.469 177.300 -0.037 0.000 1.223 1279 P CA 0.207 63.257 63.100 -0.084 0.000 0.785 1279 P CB 0.567 32.158 31.700 -0.182 0.000 0.923 1280 L N -3.148 118.066 121.223 -0.016 0.000 4.884 1280 L HA -0.209 4.141 4.340 0.017 0.000 0.430 1280 L C 0.402 177.284 176.870 0.020 0.000 1.087 1280 L CA 0.287 55.123 54.840 -0.007 0.000 1.033 1280 L CB -1.464 40.584 42.059 -0.019 0.000 2.030 1280 L HN 0.429 nan 8.230 nan 0.000 0.762 1281 M N 0.835 120.448 119.600 0.023 0.000 2.327 1281 M HA 0.200 4.691 4.480 0.017 0.000 0.353 1281 M C 0.919 177.275 176.300 0.093 0.000 1.539 1281 M CA 0.700 56.026 55.300 0.044 0.000 1.039 1281 M CB -0.098 32.532 32.600 0.049 0.000 1.967 1281 M HN 0.051 nan 8.290 nan 0.000 0.459 1282 V N 3.475 123.459 119.914 0.117 0.000 4.190 1282 V HA -0.195 3.935 4.120 0.017 0.000 0.437 1282 V C 1.115 177.369 176.094 0.266 0.000 0.680 1282 V CA 0.739 63.163 62.300 0.206 0.000 1.799 1282 V CB -1.353 30.649 31.823 0.298 0.000 2.188 1282 V HN 1.033 nan 8.190 nan 0.000 0.488 1283 Q N 2.045 121.959 119.800 0.189 0.000 2.402 1283 Q HA 0.054 4.404 4.340 0.017 0.000 0.206 1283 Q C 0.944 177.077 176.000 0.222 0.000 0.919 1283 Q CA 1.451 57.365 55.803 0.185 0.000 0.923 1283 Q CB 0.855 29.656 28.738 0.105 0.000 1.048 1283 Q HN 1.105 nan 8.270 nan 0.000 0.515 1284 T N -3.636 110.995 114.554 0.129 0.000 2.916 1284 T HA 0.288 4.649 4.350 0.017 0.000 0.292 1284 T C 0.612 175.036 174.700 -0.461 0.000 1.064 1284 T CA -0.684 61.384 62.100 -0.053 0.000 1.011 1284 T CB 1.687 70.551 68.868 -0.007 0.000 1.152 1284 T HN 0.093 nan 8.240 nan 0.000 0.510 1285 E N 0.098 119.896 120.200 -0.670 0.000 2.150 1285 E HA -0.174 4.186 4.350 0.017 0.000 0.193 1285 E C 0.845 177.291 176.600 -0.257 0.000 0.985 1285 E CA 1.277 57.197 56.400 -0.799 0.000 0.814 1285 E CB -0.057 29.388 29.700 -0.425 0.000 0.752 1285 E HN 0.658 nan 8.360 nan 0.000 0.466 1286 D N 0.529 120.860 120.400 -0.116 0.000 2.144 1286 D HA -0.146 4.504 4.640 0.017 0.000 0.200 1286 D C 1.915 178.260 176.300 0.075 0.000 0.978 1286 D CA 0.866 54.870 54.000 0.007 0.000 0.833 1286 D CB -0.161 40.649 40.800 0.018 0.000 0.961 1286 D HN 0.309 nan 8.370 nan 0.000 0.470 1287 Q N -0.848 118.991 119.800 0.066 0.000 2.119 1287 Q HA -0.166 4.185 4.340 0.017 0.000 0.201 1287 Q C 1.914 178.044 176.000 0.217 0.000 0.972 1287 Q CA 0.884 56.788 55.803 0.167 0.000 0.847 1287 Q CB -0.125 28.721 28.738 0.180 0.000 0.903 1287 Q HN 0.395 nan 8.270 nan 0.000 0.433 1288 Y N 0.525 120.828 120.300 0.004 0.000 2.163 1288 Y HA -0.220 4.339 4.550 0.017 0.000 0.288 1288 Y C 2.091 177.951 175.900 -0.067 0.000 1.136 1288 Y CA 1.140 59.254 58.100 0.024 0.000 1.147 1288 Y CB -0.141 38.338 38.460 0.031 0.000 0.987 1288 Y HN -0.168 nan 8.280 nan 0.000 0.509 1289 V N 0.087 120.006 119.914 0.008 0.000 2.332 1289 V HA -0.329 3.801 4.120 0.017 0.000 0.248 1289 V C 2.181 178.225 176.094 -0.083 0.000 1.055 1289 V CA 2.181 64.365 62.300 -0.194 0.000 1.038 1289 V CB -1.031 30.777 31.823 -0.026 0.000 0.651 1289 V HN 0.523 nan 8.190 nan 0.000 0.450 1290 F N 0.059 119.963 119.950 -0.078 0.000 2.126 1290 F HA -0.208 4.329 4.527 0.017 0.000 0.299 1290 F C 2.110 177.869 175.800 -0.069 0.000 1.096 1290 F CA 1.637 59.610 58.000 -0.046 0.000 1.255 1290 F CB -0.111 38.873 39.000 -0.027 0.000 0.997 1290 F HN 0.033 nan 8.300 nan 0.000 0.479 1291 L N 0.009 121.223 121.223 -0.015 0.000 2.079 1291 L HA -0.277 4.073 4.340 0.017 0.000 0.210 1291 L C 2.208 178.975 176.870 -0.172 0.000 1.081 1291 L CA 1.252 56.020 54.840 -0.119 0.000 0.752 1291 L CB -0.740 41.253 42.059 -0.110 0.000 0.896 1291 L HN 0.240 nan 8.230 nan 0.000 0.433 1292 N N -0.450 118.144 118.700 -0.178 0.000 2.216 1292 N HA -0.194 4.556 4.740 0.017 0.000 0.183 1292 N C 1.871 177.515 175.510 0.224 0.000 1.017 1292 N CA 0.951 54.035 53.050 0.057 0.000 0.861 1292 N CB 0.060 38.374 38.487 -0.289 0.000 0.986 1292 N HN 0.317 nan 8.380 nan 0.000 0.428 1293 Q N 1.108 120.943 119.800 0.058 0.000 2.046 1293 Q HA -0.034 4.316 4.340 0.017 0.000 0.200 1293 Q C 2.231 178.065 176.000 -0.276 0.000 0.975 1293 Q CA 1.483 57.216 55.803 -0.117 0.000 0.836 1293 Q CB -0.463 28.212 28.738 -0.106 0.000 0.896 1293 Q HN 0.279 nan 8.270 nan 0.000 0.428 1294 C N -0.882 118.178 119.300 -0.400 0.000 2.376 1294 C HA -0.175 4.295 4.460 0.017 0.000 0.275 1294 C C 2.592 177.442 174.990 -0.233 0.000 1.200 1294 C CA 1.087 59.897 59.018 -0.347 0.000 1.756 1294 C CB -1.193 26.334 27.740 -0.355 0.000 2.050 1294 C HN 0.456 nan 8.230 nan 0.000 0.460 1295 V N 0.409 120.196 119.914 -0.211 0.000 2.343 1295 V HA -0.197 3.933 4.120 0.017 0.000 0.247 1295 V C 2.321 178.273 176.094 -0.237 0.000 1.051 1295 V CA 1.948 64.070 62.300 -0.297 0.000 1.036 1295 V CB -0.754 30.760 31.823 -0.514 0.000 0.654 1295 V HN 0.510 nan 8.190 nan 0.000 0.451 1296 L N 0.512 121.692 121.223 -0.070 0.000 2.046 1296 L HA -0.183 4.167 4.340 0.017 0.000 0.208 1296 L C 2.086 178.877 176.870 -0.131 0.000 1.077 1296 L CA 2.111 56.910 54.840 -0.069 0.000 0.747 1296 L CB -0.851 40.931 42.059 -0.462 0.000 0.896 1296 L HN 0.330 nan 8.230 nan 0.000 0.432 1297 D N -0.610 119.691 120.400 -0.165 0.000 2.144 1297 D HA -0.137 4.513 4.640 0.017 0.000 0.200 1297 D C 2.351 178.590 176.300 -0.100 0.000 0.978 1297 D CA 1.551 55.473 54.000 -0.130 0.000 0.833 1297 D CB -0.118 40.599 40.800 -0.137 0.000 0.961 1297 D HN 0.412 nan 8.370 nan 0.000 0.470 1298 I N 0.497 120.999 120.570 -0.114 0.000 2.226 1298 I HA -0.222 3.958 4.170 0.017 0.000 0.245 1298 I C 2.389 178.454 176.117 -0.087 0.000 1.100 1298 I CA 0.618 61.861 61.300 -0.095 0.000 1.374 1298 I CB -0.094 37.838 38.000 -0.113 0.000 1.057 1298 I HN -0.121 nan 8.210 nan 0.000 0.413 1299 V N 0.654 120.508 119.914 -0.099 0.000 2.307 1299 V HA -0.256 3.874 4.120 0.017 0.000 0.245 1299 V C 2.514 178.592 176.094 -0.028 0.000 1.045 1299 V CA 1.807 64.072 62.300 -0.058 0.000 1.024 1299 V CB -0.740 31.069 31.823 -0.023 0.000 0.651 1299 V HN 0.353 nan 8.190 nan 0.000 0.449 1300 R N 0.758 121.238 120.500 -0.033 0.000 2.120 1300 R HA -0.131 4.220 4.340 0.017 0.000 0.234 1300 R C 2.467 178.749 176.300 -0.030 0.000 1.123 1300 R CA 1.674 57.757 56.100 -0.028 0.000 0.975 1300 R CB -0.384 29.890 30.300 -0.043 0.000 0.866 1300 R HN 0.712 nan 8.270 nan 0.000 0.446 1301 S N 0.322 115.998 115.700 -0.040 0.000 2.478 1301 S HA -0.120 4.360 4.470 0.017 0.000 0.222 1301 S C 1.849 176.427 174.600 -0.036 0.000 1.008 1301 S CA 0.398 58.575 58.200 -0.038 0.000 0.928 1301 S CB 0.089 63.262 63.200 -0.046 0.000 0.781 1301 S HN 0.440 nan 8.310 nan 0.000 0.518 1302 Q N 1.044 120.823 119.800 -0.036 0.000 2.432 1302 Q HA 0.322 4.672 4.340 0.017 0.000 0.205 1302 Q C 0.952 176.939 176.000 -0.021 0.000 0.945 1302 Q CA 0.745 56.529 55.803 -0.032 0.000 0.924 1302 Q CB -0.666 28.051 28.738 -0.036 0.000 1.016 1302 Q HN 0.579 nan 8.270 nan 0.000 0.503 1309 L N 2.323 123.563 121.223 0.028 0.000 2.416 1309 L HA 0.369 4.719 4.340 0.017 0.000 0.272 1309 L C 0.135 177.037 176.870 0.053 0.000 1.161 1309 L CA -0.069 54.794 54.840 0.038 0.000 0.845 1309 L CB 0.220 42.307 42.059 0.047 0.000 1.119 1309 L HN 0.383 nan 8.230 nan 0.000 0.464 1310 I N 3.184 123.785 120.570 0.051 0.000 2.392 1310 I HA 0.202 4.382 4.170 0.017 0.000 0.295 1310 I C 0.089 176.264 176.117 0.097 0.000 0.985 1310 I CA -0.633 60.708 61.300 0.068 0.000 1.221 1310 I CB 1.054 39.077 38.000 0.038 0.000 1.366 1310 I HN 0.492 nan 8.210 nan 0.000 0.467 1311 Y N 0.000 120.300 120.300 0.001 0.000 2.660 1311 Y HA 0.000 4.560 4.550 0.017 0.000 0.201 1311 Y CA 0.000 58.100 58.100 0.000 0.000 1.940 1311 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 1311 Y HN 0.000 nan 8.280 nan 0.000 0.758