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 3oqb_1_E DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXXX LHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI K 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.674 174.700 -0.043 0.000 1.109 3 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 3 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 4 T N 2.612 117.140 114.554 -0.044 0.000 2.823 4 T HA 0.700 5.050 4.350 -0.000 0.000 0.279 4 T C -1.027 173.633 174.700 -0.067 0.000 0.998 4 T CA -0.418 61.648 62.100 -0.057 0.000 0.994 4 T CB 2.382 71.224 68.868 -0.044 0.000 0.960 4 T HN 0.187 nan 8.240 nan 0.000 0.448 5 Q N 1.846 121.585 119.800 -0.102 0.000 2.323 5 Q HA 0.422 4.762 4.340 -0.000 0.000 0.271 5 Q C -0.927 175.002 176.000 -0.119 0.000 1.048 5 Q CA -0.946 54.788 55.803 -0.115 0.000 0.792 5 Q CB 1.605 30.235 28.738 -0.179 0.000 1.280 5 Q HN 0.442 nan 8.270 nan 0.000 0.441 6 R N 4.335 124.799 120.500 -0.060 0.000 2.229 6 R HA 0.276 4.616 4.340 -0.000 0.000 0.328 6 R C -1.489 174.815 176.300 0.008 0.000 1.009 6 R CA -0.467 55.615 56.100 -0.031 0.000 0.864 6 R CB 0.471 30.766 30.300 -0.007 0.000 1.085 6 R HN 0.594 nan 8.270 nan 0.000 0.453 7 L N 4.538 125.769 121.223 0.014 0.000 2.264 7 L HA 0.464 4.803 4.340 -0.000 0.000 0.287 7 L C -0.186 176.747 176.870 0.106 0.000 1.039 7 L CA -0.059 54.846 54.840 0.108 0.000 0.829 7 L CB 1.464 43.602 42.059 0.133 0.000 1.211 7 L HN 0.715 nan 8.230 nan 0.000 0.427 8 G N 5.540 114.412 108.800 0.120 0.000 2.360 8 G HA2 0.451 4.411 3.960 -0.000 0.000 0.279 8 G HA3 0.451 4.411 3.960 -0.000 0.000 0.279 8 G C -1.130 173.860 174.900 0.151 0.000 1.189 8 G CA -0.294 44.872 45.100 0.109 0.000 0.941 8 G HN 0.701 nan 8.290 nan 0.000 0.445 9 L N 4.500 125.813 121.223 0.150 0.000 2.406 9 L HA 0.731 5.071 4.340 -0.000 0.000 0.272 9 L C -0.283 176.714 176.870 0.212 0.000 0.980 9 L CA -1.120 53.844 54.840 0.207 0.000 0.831 9 L CB 1.716 43.890 42.059 0.192 0.000 1.253 9 L HN 0.577 nan 8.230 nan 0.000 0.406 13 G N 0.984 109.740 108.800 -0.073 0.000 2.744 13 G HA2 0.109 4.069 3.960 -0.000 0.000 0.211 13 G HA3 0.109 4.069 3.960 -0.000 0.000 0.211 13 G C 0.590 175.523 174.900 0.055 0.000 1.143 13 G CA 0.767 45.835 45.100 -0.054 0.000 0.788 13 G HN 0.264 nan 8.290 nan 0.000 0.534 14 V N -0.304 119.686 119.914 0.126 0.000 3.287 14 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 14 V C 1.364 177.517 176.094 0.099 0.000 1.103 14 V CA 1.882 64.265 62.300 0.140 0.000 1.159 14 V CB 1.182 33.097 31.823 0.154 0.000 1.036 14 V HN 0.557 nan 8.190 nan 0.000 0.487 15 T N 2.009 116.618 114.554 0.092 0.000 9.821 15 T HA -0.131 4.218 4.350 -0.000 0.000 0.335 15 T C 0.656 175.401 174.700 0.075 0.000 1.948 15 T CA 0.562 62.708 62.100 0.077 0.000 3.270 15 T CB -1.828 67.078 68.868 0.064 0.000 1.812 15 T HN 1.643 nan 8.240 nan 0.000 0.446 16 G N 2.477 111.325 108.800 0.080 0.000 2.614 16 G HA2 0.435 4.394 3.960 -0.000 0.000 0.239 16 G HA3 0.435 4.394 3.960 -0.000 0.000 0.239 16 G C 0.222 175.171 174.900 0.083 0.000 1.240 16 G CA -0.106 45.047 45.100 0.088 0.000 0.842 16 G HN 0.521 nan 8.290 nan 0.000 0.584 20 L N 1.321 122.586 121.223 0.070 0.000 2.005 20 L HA 0.146 4.486 4.340 -0.000 0.000 0.207 20 L C 2.397 179.244 176.870 -0.039 0.000 1.072 20 L CA 2.036 56.894 54.840 0.031 0.000 0.744 20 L CB -0.294 41.801 42.059 0.061 0.000 0.895 20 L HN 0.187 nan 8.230 nan 0.000 0.433 21 N N -0.541 118.132 118.700 -0.045 0.000 2.080 21 N HA -0.162 4.578 4.740 -0.000 0.000 0.189 21 N C 1.838 177.248 175.510 -0.168 0.000 1.036 21 N CA 1.321 54.323 53.050 -0.081 0.000 0.846 21 N CB -0.278 38.180 38.487 -0.047 0.000 1.015 21 N HN 0.426 nan 8.380 nan 0.000 0.423 22 Q N 0.157 119.777 119.800 -0.300 0.000 2.062 22 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 22 Q C 1.934 177.653 176.000 -0.468 0.000 0.967 22 Q CA 1.174 56.641 55.803 -0.560 0.000 0.832 22 Q CB -0.481 27.452 28.738 -1.341 0.000 0.899 22 Q HN 0.576 nan 8.270 nan 0.000 0.442 23 H N -0.259 118.701 119.070 -0.183 0.000 2.344 23 H HA 0.014 4.570 4.556 -0.000 0.000 0.307 23 H C 2.098 177.279 175.328 -0.244 0.000 1.057 23 H CA 0.666 56.658 56.048 -0.094 0.000 1.373 23 H CB -0.252 29.549 29.762 0.064 0.000 1.421 23 H HN 0.077 nan 8.280 nan 0.000 0.532 24 L N 1.163 122.342 121.223 -0.073 0.000 1.961 24 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 24 L C 2.387 179.036 176.870 -0.367 0.000 1.075 24 L CA 1.410 56.120 54.840 -0.216 0.000 0.749 24 L CB -1.035 40.923 42.059 -0.169 0.000 0.890 24 L HN 0.104 nan 8.230 nan 0.000 0.433 25 I N -0.671 119.663 120.570 -0.393 0.000 2.113 25 I HA -0.287 3.882 4.170 -0.000 0.000 0.238 25 I C 2.548 178.505 176.117 -0.266 0.000 1.070 25 I CA 1.568 62.604 61.300 -0.440 0.000 1.332 25 I CB -0.309 37.511 38.000 -0.300 0.000 1.044 25 I HN 0.229 nan 8.210 nan 0.000 0.402 26 R N -0.247 120.138 120.500 -0.191 0.000 2.240 26 R HA 0.053 4.393 4.340 -0.000 0.000 0.203 26 R C 2.048 178.278 176.300 -0.117 0.000 1.011 26 R CA 0.646 56.675 56.100 -0.118 0.000 1.007 26 R CB 0.181 30.440 30.300 -0.069 0.000 0.911 26 R HN 0.312 nan 8.270 nan 0.000 0.468 27 S N 0.138 115.722 115.700 -0.194 0.000 2.612 27 S HA 0.099 4.569 4.470 -0.000 0.000 0.193 27 S C 1.666 176.022 174.600 -0.407 0.000 0.898 27 S CA -0.063 57.978 58.200 -0.265 0.000 0.872 27 S CB 0.033 63.037 63.200 -0.327 0.000 0.843 27 S HN -0.024 nan 8.310 nan 0.000 0.611 28 I N 2.355 122.580 120.570 -0.575 0.000 2.142 28 I HA -0.088 4.081 4.170 -0.000 0.000 0.240 28 I C 2.406 178.329 176.117 -0.323 0.000 1.078 28 I CA 1.142 62.117 61.300 -0.542 0.000 1.343 28 I CB -1.539 36.104 38.000 -0.596 0.000 1.046 28 I HN 0.088 nan 8.210 nan 0.000 0.405 29 V N 1.362 121.096 119.914 -0.300 0.000 2.332 29 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 29 V C 2.825 178.829 176.094 -0.150 0.000 1.055 29 V CA 1.814 63.980 62.300 -0.224 0.000 1.038 29 V CB -1.133 30.495 31.823 -0.325 0.000 0.651 29 V HN 0.474 nan 8.190 nan 0.000 0.450 30 A N -0.219 122.509 122.820 -0.153 0.000 1.908 30 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 30 A C 2.186 179.716 177.584 -0.089 0.000 1.181 30 A CA 2.122 54.102 52.037 -0.095 0.000 0.627 30 A CB -0.569 18.383 19.000 -0.080 0.000 0.818 30 A HN 0.510 nan 8.150 nan 0.000 0.445 31 I N -1.477 119.018 120.570 -0.126 0.000 2.226 31 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 31 I C 2.709 178.771 176.117 -0.092 0.000 1.100 31 I CA 1.566 62.801 61.300 -0.108 0.000 1.374 31 I CB -0.234 37.677 38.000 -0.148 0.000 1.057 31 I HN 0.297 nan 8.210 nan 0.000 0.413 32 R N 1.108 121.545 120.500 -0.105 0.000 2.094 32 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 32 R C 1.738 178.009 176.300 -0.048 0.000 1.137 32 R CA 2.144 58.200 56.100 -0.075 0.000 0.943 32 R CB -0.263 29.993 30.300 -0.073 0.000 0.850 32 R HN 0.262 nan 8.270 nan 0.000 0.433 33 D N -0.118 120.256 120.400 -0.043 0.000 2.310 33 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 33 D C 1.359 177.647 176.300 -0.021 0.000 0.965 33 D CA 1.128 55.114 54.000 -0.022 0.000 0.879 33 D CB -0.054 40.739 40.800 -0.012 0.000 0.921 33 D HN 0.588 nan 8.370 nan 0.000 0.510 34 Q N -0.768 119.015 119.800 -0.028 0.000 2.360 34 Q HA 0.212 4.551 4.340 -0.000 0.000 0.202 34 Q C 0.951 176.936 176.000 -0.025 0.000 0.915 34 Q CA 0.591 56.380 55.803 -0.022 0.000 0.943 34 Q CB 0.283 29.009 28.738 -0.021 0.000 1.064 34 Q HN 0.055 nan 8.270 nan 0.000 0.511 35 G N -0.027 108.755 108.800 -0.030 0.000 2.171 35 G HA2 0.016 3.976 3.960 -0.000 0.000 0.238 35 G HA3 0.016 3.976 3.960 -0.000 0.000 0.238 35 G C 0.462 175.336 174.900 -0.043 0.000 1.039 35 G CA -0.040 45.040 45.100 -0.033 0.000 0.759 35 G HN 1.178 nan 8.290 nan 0.000 0.501 36 G N -2.617 106.152 108.800 -0.052 0.000 2.746 36 G HA2 0.219 4.179 3.960 -0.000 0.000 0.685 36 G HA3 0.219 4.179 3.960 -0.000 0.000 0.685 36 G C -0.060 174.807 174.900 -0.054 0.000 1.350 36 G CA -0.103 44.958 45.100 -0.064 0.000 0.837 36 G HN 1.606 nan 8.290 nan 0.000 0.564 37 V N 2.483 122.363 119.914 -0.057 0.000 2.485 37 V HA 0.318 4.438 4.120 -0.000 0.000 0.287 37 V C 1.336 177.405 176.094 -0.041 0.000 1.022 37 V CA 0.277 62.557 62.300 -0.034 0.000 1.067 37 V CB 0.837 32.651 31.823 -0.016 0.000 0.967 37 V HN 0.917 nan 8.190 nan 0.000 0.479 38 R N 6.374 126.861 120.500 -0.022 0.000 2.288 38 R HA 0.333 4.673 4.340 -0.000 0.000 0.330 38 R C -0.638 175.655 176.300 -0.012 0.000 1.069 38 R CA -0.189 55.899 56.100 -0.020 0.000 0.941 38 R CB -0.063 30.230 30.300 -0.010 0.000 0.998 38 R HN 0.611 nan 8.270 nan 0.000 0.452 39 L N 2.454 123.664 121.223 -0.023 0.000 2.479 39 L HA 0.163 4.502 4.340 -0.000 0.000 0.248 39 L C 1.956 178.825 176.870 -0.000 0.000 1.205 39 L CA -0.325 54.509 54.840 -0.010 0.000 0.817 39 L CB 0.399 42.445 42.059 -0.021 0.000 1.162 39 L HN 0.642 nan 8.230 nan 0.000 0.486 40 K N 0.419 120.824 120.400 0.008 0.000 2.103 40 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 40 K C 1.697 178.301 176.600 0.006 0.000 1.052 40 K CA 1.703 57.997 56.287 0.011 0.000 0.945 40 K CB 0.053 32.563 32.500 0.016 0.000 0.722 40 K HN 0.727 nan 8.250 nan 0.000 0.443 41 N N -1.362 117.339 118.700 0.003 0.000 2.300 41 N HA -0.032 4.708 4.740 -0.000 0.000 0.179 41 N C 1.170 176.677 175.510 -0.004 0.000 1.016 41 N CA 1.707 54.757 53.050 0.000 0.000 0.876 41 N CB 0.184 38.671 38.487 0.000 0.000 0.979 41 N HN 0.248 nan 8.380 nan 0.000 0.432 42 G N -1.564 107.230 108.800 -0.009 0.000 2.977 42 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.211 42 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.211 42 G C -0.824 174.063 174.900 -0.022 0.000 0.994 42 G CA -0.158 44.934 45.100 -0.013 0.000 0.795 42 G HN 0.281 nan 8.290 nan 0.000 0.518 43 D N 1.185 121.568 120.400 -0.028 0.000 2.400 43 D HA 0.408 5.048 4.640 -0.000 0.000 0.238 43 D C 0.656 176.920 176.300 -0.060 0.000 1.157 43 D CA 0.478 54.451 54.000 -0.046 0.000 0.889 43 D CB 0.584 41.350 40.800 -0.056 0.000 1.199 43 D HN 0.309 nan 8.370 nan 0.000 0.436 44 R N 1.633 122.088 120.500 -0.074 0.000 2.480 44 R HA 0.413 4.753 4.340 -0.000 0.000 0.306 44 R C -0.080 176.141 176.300 -0.132 0.000 0.958 44 R CA -0.841 55.208 56.100 -0.085 0.000 0.861 44 R CB 1.700 31.964 30.300 -0.060 0.000 1.171 44 R HN 0.309 nan 8.270 nan 0.000 0.445 48 D N 3.156 123.557 120.400 0.001 0.000 2.477 48 D HA 0.411 5.051 4.640 -0.000 0.000 0.239 48 D C -2.398 173.923 176.300 0.035 0.000 1.102 48 D CA -1.992 52.017 54.000 0.016 0.000 0.901 48 D CB 1.133 41.946 40.800 0.023 0.000 1.026 48 D HN -0.030 nan 8.370 nan 0.000 0.515 49 P HA 0.340 nan 4.420 nan 0.000 0.276 49 P C -0.555 176.796 177.300 0.086 0.000 1.252 49 P CA -0.672 62.458 63.100 0.051 0.000 0.802 49 P CB 1.108 32.817 31.700 0.016 0.000 1.035 50 I N 0.771 121.411 120.570 0.116 0.000 2.500 50 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 50 I C -1.228 174.990 176.117 0.168 0.000 1.063 50 I CA -1.065 60.316 61.300 0.134 0.000 1.062 50 I CB 0.778 38.842 38.000 0.106 0.000 1.223 50 I HN 0.083 nan 8.210 nan 0.000 0.435 51 L N 7.600 128.939 121.223 0.194 0.000 2.349 51 L HA 0.514 4.853 4.340 -0.000 0.000 0.275 51 L C -0.576 176.421 176.870 0.211 0.000 1.115 51 L CA -0.720 54.239 54.840 0.197 0.000 0.820 51 L CB 1.347 43.521 42.059 0.192 0.000 1.135 51 L HN 0.330 nan 8.230 nan 0.000 0.445 52 V N 1.978 122.003 119.914 0.185 0.000 2.531 52 V HA 0.831 4.951 4.120 -0.000 0.000 0.301 52 V C 0.282 176.457 176.094 0.134 0.000 1.034 52 V CA -0.368 62.032 62.300 0.167 0.000 0.865 52 V CB 1.790 33.711 31.823 0.163 0.000 0.995 52 V HN 0.955 nan 8.190 nan 0.000 0.424 53 G N 3.173 112.048 108.800 0.124 0.000 2.690 53 G HA2 0.557 4.517 3.960 -0.000 0.000 0.293 53 G HA3 0.557 4.517 3.960 -0.000 0.000 0.293 53 G C -0.334 174.613 174.900 0.079 0.000 1.399 53 G CA -0.703 44.450 45.100 0.089 0.000 0.890 53 G HN 0.457 nan 8.290 nan 0.000 0.485 54 R N -0.262 120.270 120.500 0.052 0.000 2.307 54 R HA 0.173 4.512 4.340 -0.000 0.000 0.199 54 R C 1.073 177.400 176.300 0.045 0.000 1.000 54 R CA 0.587 56.712 56.100 0.042 0.000 1.023 54 R CB 0.092 30.405 30.300 0.022 0.000 0.908 54 R HN 0.550 nan 8.270 nan 0.000 0.473 55 S N -1.806 113.922 115.700 0.047 0.000 2.561 55 S HA 0.648 5.118 4.470 -0.000 0.000 0.303 55 S C 0.604 175.228 174.600 0.040 0.000 1.110 55 S CA -0.471 57.752 58.200 0.039 0.000 1.034 55 S CB 2.184 65.396 63.200 0.020 0.000 1.010 55 S HN 0.043 nan 8.310 nan 0.000 0.482 56 A N 2.185 125.037 122.820 0.054 0.000 1.969 56 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 56 A C 1.883 179.404 177.584 -0.104 0.000 1.169 56 A CA 1.203 53.275 52.037 0.058 0.000 0.635 56 A CB -0.640 18.453 19.000 0.153 0.000 0.810 56 A HN 0.894 nan 8.150 nan 0.000 0.445 57 E N -0.124 120.030 120.200 -0.077 0.000 2.072 57 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 57 E C 1.758 178.277 176.600 -0.135 0.000 0.982 57 E CA 1.128 57.458 56.400 -0.118 0.000 0.803 57 E CB -0.095 29.567 29.700 -0.063 0.000 0.755 57 E HN 0.539 nan 8.360 nan 0.000 0.453 58 K N 0.315 120.667 120.400 -0.080 0.000 2.432 58 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 58 K C 1.834 178.393 176.600 -0.067 0.000 1.038 58 K CA 0.281 56.532 56.287 -0.059 0.000 0.986 58 K CB 0.430 32.920 32.500 -0.017 0.000 0.782 58 K HN 0.006 nan 8.250 nan 0.000 0.485 59 V N 0.873 120.726 119.914 -0.101 0.000 2.949 59 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 59 V C 2.040 177.956 176.094 -0.297 0.000 1.086 59 V CA 1.041 63.289 62.300 -0.087 0.000 1.097 59 V CB 0.398 32.250 31.823 0.048 0.000 0.762 59 V HN 0.248 nan 8.190 nan 0.000 0.470 60 E N 0.266 120.087 120.200 -0.631 0.000 2.072 60 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 60 E C 2.114 178.397 176.600 -0.528 0.000 0.982 60 E CA 1.261 57.006 56.400 -1.092 0.000 0.803 60 E CB -0.114 28.774 29.700 -1.354 0.000 0.755 60 E HN 0.616 nan 8.360 nan 0.000 0.453 61 A N 1.142 123.769 122.820 -0.322 0.000 1.902 61 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 61 A C 2.111 179.615 177.584 -0.135 0.000 1.181 61 A CA 1.102 53.023 52.037 -0.192 0.000 0.623 61 A CB -0.586 18.330 19.000 -0.141 0.000 0.818 61 A HN 0.362 nan 8.150 nan 0.000 0.443 62 L N -0.291 120.879 121.223 -0.088 0.000 2.056 62 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 62 L C 2.716 179.642 176.870 0.094 0.000 1.078 62 L CA 2.003 56.860 54.840 0.029 0.000 0.749 62 L CB -0.817 41.288 42.059 0.077 0.000 0.901 62 L HN 0.354 nan 8.230 nan 0.000 0.433 63 A N -0.619 122.216 122.820 0.024 0.000 1.883 63 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 63 A C 2.432 180.058 177.584 0.071 0.000 1.186 63 A CA 2.059 54.150 52.037 0.090 0.000 0.624 63 A CB -0.636 18.423 19.000 0.097 0.000 0.822 63 A HN 0.476 nan 8.150 nan 0.000 0.444 64 K N 0.048 120.429 120.400 -0.031 0.000 1.977 64 K HA -0.244 4.076 4.320 -0.000 0.000 0.218 64 K C 2.215 178.773 176.600 -0.069 0.000 1.051 64 K CA 1.997 58.260 56.287 -0.041 0.000 0.953 64 K CB -0.313 32.133 32.500 -0.090 0.000 0.727 64 K HN 0.576 nan 8.250 nan 0.000 0.445 65 R N -0.571 119.824 120.500 -0.175 0.000 2.377 65 R HA -0.093 4.247 4.340 -0.000 0.000 0.207 65 R C 0.435 176.399 176.300 -0.560 0.000 1.075 65 R CA 1.155 57.038 56.100 -0.361 0.000 1.035 65 R CB -0.177 29.850 30.300 -0.455 0.000 0.857 65 R HN 0.143 nan 8.270 nan 0.000 0.475 66 F N 1.056 121.000 119.950 -0.009 0.000 2.764 66 F HA 0.284 4.811 4.527 -0.000 0.000 0.310 66 F C -0.054 175.746 175.800 -0.000 0.000 1.124 66 F CA -1.140 56.855 58.000 -0.007 0.000 1.252 66 F CB -0.184 38.810 39.000 -0.011 0.000 1.010 66 F HN 0.165 nan 8.300 nan 0.000 0.518 67 N N 1.046 119.814 118.700 0.114 0.000 2.714 67 N HA -0.237 4.503 4.740 -0.000 0.000 0.253 67 N C 0.514 176.084 175.510 0.099 0.000 1.024 67 N CA 0.046 53.146 53.050 0.084 0.000 0.726 67 N CB -0.738 37.788 38.487 0.065 0.000 0.908 67 N HN 0.331 nan 8.380 nan 0.000 0.542 68 I N 0.633 121.275 120.570 0.120 0.000 2.726 68 I HA 0.246 4.416 4.170 -0.000 0.000 0.243 68 I C 1.671 177.859 176.117 0.119 0.000 1.082 68 I CA 1.943 63.316 61.300 0.123 0.000 1.447 68 I CB -0.007 38.084 38.000 0.153 0.000 1.250 68 I HN 0.608 nan 8.210 nan 0.000 0.453 69 A N -0.824 122.091 122.820 0.159 0.000 1.708 69 A HA -0.153 4.166 4.320 -0.000 0.000 0.204 69 A C 0.941 178.645 177.584 0.201 0.000 0.603 69 A CA 0.022 52.152 52.037 0.155 0.000 1.269 69 A CB -1.201 17.851 19.000 0.086 0.000 1.398 69 A HN 0.217 nan 8.150 nan 0.000 0.707 70 R N 0.129 120.728 120.500 0.166 0.000 2.428 70 R HA 0.572 4.912 4.340 -0.000 0.000 0.294 70 R C -0.475 175.966 176.300 0.235 0.000 1.000 70 R CA 0.238 56.388 56.100 0.084 0.000 0.960 70 R CB 1.149 31.473 30.300 0.039 0.000 1.076 70 R HN 1.004 nan 8.270 nan 0.000 0.475 71 W N -0.082 121.244 121.300 0.043 0.000 3.153 71 W HA 0.431 5.090 4.660 -0.001 0.000 0.316 71 W C -1.516 175.028 176.519 0.040 0.000 1.255 71 W CA -0.842 56.531 57.345 0.047 0.000 1.192 71 W CB 0.758 30.246 29.460 0.047 0.000 1.400 71 W HN 0.646 nan 8.180 nan 0.000 0.568 72 T N -2.065 112.663 114.554 0.290 0.000 2.711 72 T HA 0.456 4.806 4.350 -0.000 0.000 0.302 72 T C 0.238 175.079 174.700 0.236 0.000 1.373 72 T CA 0.110 62.314 62.100 0.173 0.000 1.000 72 T CB 1.867 70.739 68.868 0.006 0.000 1.483 72 T HN 0.648 nan 8.240 nan 0.000 0.499 73 T N -3.198 111.451 114.554 0.159 0.000 3.003 73 T HA 0.255 4.605 4.350 -0.000 0.000 0.261 73 T C 0.012 174.752 174.700 0.067 0.000 1.003 73 T CA 0.101 62.273 62.100 0.120 0.000 0.917 73 T CB 0.003 68.941 68.868 0.116 0.000 1.084 73 T HN 0.560 nan 8.240 nan 0.000 0.522 74 D N 1.959 122.386 120.400 0.046 0.000 2.500 74 D HA 0.201 4.841 4.640 -0.000 0.000 0.219 74 D C 1.080 177.385 176.300 0.008 0.000 1.137 74 D CA -0.710 53.299 54.000 0.015 0.000 0.946 74 D CB 0.639 41.437 40.800 -0.003 0.000 1.022 74 D HN -0.002 nan 8.370 nan 0.000 0.518 75 L N 3.454 124.682 121.223 0.009 0.000 2.042 75 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 75 L C 1.058 177.895 176.870 -0.054 0.000 1.076 75 L CA 1.938 56.773 54.840 -0.009 0.000 0.749 75 L CB -0.770 41.281 42.059 -0.014 0.000 0.893 75 L HN 0.292 nan 8.230 nan 0.000 0.432 76 D N -0.231 120.137 120.400 -0.053 0.000 2.123 76 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 76 D C 2.188 178.453 176.300 -0.059 0.000 0.992 76 D CA 1.569 55.530 54.000 -0.066 0.000 0.833 76 D CB -0.111 40.658 40.800 -0.051 0.000 0.954 76 D HN 0.469 nan 8.370 nan 0.000 0.455 77 A N 0.757 123.552 122.820 -0.042 0.000 1.897 77 A HA 0.136 4.455 4.320 -0.000 0.000 0.215 77 A C 2.262 179.824 177.584 -0.036 0.000 1.181 77 A CA 1.531 53.545 52.037 -0.038 0.000 0.620 77 A CB -0.841 18.139 19.000 -0.034 0.000 0.821 77 A HN 0.225 nan 8.150 nan 0.000 0.443 78 A N -0.198 122.605 122.820 -0.028 0.000 1.940 78 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 78 A C 2.094 179.663 177.584 -0.026 0.000 1.176 78 A CA 1.533 53.564 52.037 -0.010 0.000 0.631 78 A CB -0.571 18.442 19.000 0.022 0.000 0.814 78 A HN 0.466 nan 8.150 nan 0.000 0.446 79 L N -1.332 119.846 121.223 -0.076 0.000 2.291 79 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 79 L C 2.493 179.315 176.870 -0.081 0.000 1.120 79 L CA 0.709 55.476 54.840 -0.122 0.000 0.799 79 L CB -0.164 41.758 42.059 -0.228 0.000 0.925 79 L HN 0.435 nan 8.230 nan 0.000 0.446 80 A N -1.566 121.218 122.820 -0.061 0.000 2.308 80 A HA -0.059 4.260 4.320 -0.000 0.000 0.217 80 A C 1.729 179.293 177.584 -0.033 0.000 1.216 80 A CA 0.096 52.105 52.037 -0.048 0.000 0.864 80 A CB -0.170 18.802 19.000 -0.046 0.000 0.902 80 A HN 0.234 nan 8.150 nan 0.000 0.499 81 D N 0.542 120.927 120.400 -0.025 0.000 2.104 81 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 81 D C 0.892 177.185 176.300 -0.012 0.000 0.994 81 D CA 1.610 55.601 54.000 -0.015 0.000 0.830 81 D CB 0.035 40.833 40.800 -0.004 0.000 0.959 81 D HN 0.426 nan 8.370 nan 0.000 0.452 82 K N -1.926 118.468 120.400 -0.010 0.000 3.471 82 K HA -0.253 4.066 4.320 -0.000 0.000 0.289 82 K C 1.338 177.938 176.600 0.000 0.000 0.879 82 K CA 1.233 57.514 56.287 -0.011 0.000 1.257 82 K CB -1.597 30.894 32.500 -0.015 0.000 1.334 82 K HN 0.126 nan 8.250 nan 0.000 0.491 83 N N 1.194 119.898 118.700 0.007 0.000 2.142 83 N HA -0.067 4.672 4.740 -0.000 0.000 0.186 83 N C -0.164 175.367 175.510 0.035 0.000 1.023 83 N CA 1.361 54.421 53.050 0.017 0.000 0.852 83 N CB 0.116 38.611 38.487 0.013 0.000 0.998 83 N HN 0.220 nan 8.380 nan 0.000 0.424 84 D N -0.656 119.770 120.400 0.043 0.000 2.304 84 D HA 0.178 4.818 4.640 -0.000 0.000 0.250 84 D C -0.037 176.307 176.300 0.074 0.000 1.107 84 D CA 0.359 54.403 54.000 0.074 0.000 0.885 84 D CB 1.411 42.264 40.800 0.087 0.000 1.192 84 D HN -0.071 nan 8.370 nan 0.000 0.436 88 F N 5.622 125.192 119.950 -0.632 0.000 2.529 88 F HA 0.656 5.183 4.527 -0.000 0.000 0.320 88 F C -1.477 173.776 175.800 -0.913 0.000 1.118 88 F CA -0.452 57.192 58.000 -0.594 0.000 0.915 88 F CB 1.375 40.391 39.000 0.025 0.000 1.161 88 F HN 0.549 nan 8.300 nan 0.000 0.445 89 D N 3.962 123.392 120.400 -1.615 0.000 2.649 89 D HA 0.664 5.304 4.640 -0.000 0.000 0.249 89 D C -0.796 174.770 176.300 -1.224 0.000 1.112 89 D CA -0.284 53.021 54.000 -1.158 0.000 0.850 89 D CB 2.040 42.483 40.800 -0.594 0.000 1.399 89 D HN 0.708 nan 8.370 nan 0.000 0.503 90 A N 2.568 124.897 122.820 -0.819 0.000 2.568 90 A HA 0.681 5.000 4.320 -0.000 0.000 0.287 90 A C 0.499 177.965 177.584 -0.197 0.000 0.967 90 A CA 0.347 52.106 52.037 -0.463 0.000 1.004 90 A CB 0.027 18.866 19.000 -0.268 0.000 1.233 90 A HN 0.549 nan 8.150 nan 0.000 0.513 91 A N -0.032 122.666 122.820 -0.204 0.000 3.591 91 A HA 0.674 4.993 4.320 -0.000 0.000 0.163 91 A C 0.781 178.248 177.584 -0.196 0.000 1.876 91 A CA 0.407 52.358 52.037 -0.143 0.000 1.380 91 A CB -0.706 18.228 19.000 -0.109 0.000 1.777 91 A HN 0.337 nan 8.150 nan 0.000 0.720 92 T N 0.311 114.728 114.554 -0.229 0.000 2.907 92 T HA 0.334 4.684 4.350 -0.000 0.000 0.298 92 T C 1.219 175.764 174.700 -0.258 0.000 1.017 92 T CA 0.530 62.431 62.100 -0.332 0.000 1.118 92 T CB 1.223 69.907 68.868 -0.306 0.000 0.948 92 T HN 0.672 nan 8.240 nan 0.000 0.531 93 T N 1.500 115.877 114.554 -0.295 0.000 2.951 93 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 93 T C 1.738 176.355 174.700 -0.139 0.000 1.073 93 T CA 0.920 62.911 62.100 -0.182 0.000 1.134 93 T CB -0.185 68.602 68.868 -0.136 0.000 0.884 93 T HN 0.490 nan 8.240 nan 0.000 0.479 94 Q N 0.748 120.451 119.800 -0.163 0.000 2.079 94 Q HA 0.075 4.414 4.340 -0.000 0.000 0.200 94 Q C 2.541 178.487 176.000 -0.091 0.000 0.974 94 Q CA 1.626 57.361 55.803 -0.114 0.000 0.840 94 Q CB -0.642 28.023 28.738 -0.122 0.000 0.898 94 Q HN 0.694 nan 8.270 nan 0.000 0.430 95 A N 0.841 123.599 122.820 -0.103 0.000 2.132 95 A HA -0.034 4.285 4.320 -0.000 0.000 0.213 95 A C 2.109 179.662 177.584 -0.053 0.000 1.154 95 A CA 0.385 52.378 52.037 -0.073 0.000 0.753 95 A CB -0.291 18.665 19.000 -0.074 0.000 0.826 95 A HN 0.171 nan 8.150 nan 0.000 0.469 96 R N 0.238 120.698 120.500 -0.066 0.000 2.083 96 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 96 R C -0.904 175.386 176.300 -0.017 0.000 1.137 96 R CA 2.077 58.149 56.100 -0.047 0.000 0.951 96 R CB -0.959 29.288 30.300 -0.088 0.000 0.851 96 R HN 0.392 nan 8.270 nan 0.000 0.434 97 P HA -0.043 nan 4.420 nan 0.000 0.216 97 P C 1.157 178.446 177.300 -0.018 0.000 1.153 97 P CA 1.622 64.709 63.100 -0.021 0.000 0.844 97 P CB -0.333 31.350 31.700 -0.029 0.000 0.787 98 G N 0.936 109.720 108.800 -0.027 0.000 2.514 98 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 98 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 98 G C 1.411 176.287 174.900 -0.040 0.000 1.198 98 G CA 0.746 45.825 45.100 -0.035 0.000 0.780 98 G HN 0.113 nan 8.290 nan 0.000 0.565 99 L N 0.473 121.679 121.223 -0.028 0.000 2.079 99 L HA 0.038 4.378 4.340 -0.000 0.000 0.210 99 L C 2.996 179.853 176.870 -0.022 0.000 1.081 99 L CA 1.012 55.817 54.840 -0.059 0.000 0.752 99 L CB -1.266 40.810 42.059 0.028 0.000 0.896 99 L HN 0.235 nan 8.230 nan 0.000 0.433 100 L N -0.952 120.331 121.223 0.099 0.000 2.046 100 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 100 L C 2.435 179.332 176.870 0.045 0.000 1.077 100 L CA 1.480 56.402 54.840 0.137 0.000 0.747 100 L CB -0.698 41.410 42.059 0.081 0.000 0.896 100 L HN 0.281 nan 8.230 nan 0.000 0.432 101 T N -0.999 113.553 114.554 -0.004 0.000 2.821 101 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 101 T C 1.871 176.544 174.700 -0.044 0.000 1.046 101 T CA 1.180 63.265 62.100 -0.025 0.000 1.139 101 T CB -0.092 68.756 68.868 -0.033 0.000 0.871 101 T HN 0.395 nan 8.240 nan 0.000 0.454 102 Q N 0.828 120.581 119.800 -0.078 0.000 2.020 102 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 102 Q C 2.793 178.725 176.000 -0.113 0.000 0.982 102 Q CA 1.480 57.218 55.803 -0.108 0.000 0.838 102 Q CB -0.390 28.254 28.738 -0.157 0.000 0.899 102 Q HN 0.532 nan 8.270 nan 0.000 0.423 103 A N 1.000 123.730 122.820 -0.149 0.000 1.917 103 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 103 A C 2.088 179.673 177.584 0.000 0.000 1.182 103 A CA 1.500 53.482 52.037 -0.092 0.000 0.633 103 A CB -0.781 18.227 19.000 0.012 0.000 0.819 103 A HN 0.332 nan 8.150 nan 0.000 0.448 104 I N -0.156 120.426 120.570 0.020 0.000 2.179 104 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 104 I C 2.128 178.242 176.117 -0.005 0.000 1.088 104 I CA 1.255 62.570 61.300 0.025 0.000 1.357 104 I CB -0.346 37.666 38.000 0.019 0.000 1.051 104 I HN 0.310 nan 8.210 nan 0.000 0.409 105 N N 0.851 119.537 118.700 -0.023 0.000 2.270 105 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 105 N C 1.764 177.253 175.510 -0.035 0.000 1.016 105 N CA 1.250 54.283 53.050 -0.029 0.000 0.870 105 N CB -0.165 38.302 38.487 -0.034 0.000 0.979 105 N HN 0.296 nan 8.380 nan 0.000 0.431 106 A N 0.261 123.055 122.820 -0.045 0.000 2.216 106 A HA 0.219 4.539 4.320 -0.000 0.000 0.214 106 A C 1.513 179.070 177.584 -0.044 0.000 1.160 106 A CA 1.189 53.198 52.037 -0.048 0.000 0.725 106 A CB -0.537 18.424 19.000 -0.064 0.000 0.784 106 A HN 0.354 nan 8.150 nan 0.000 0.472 107 G N -1.076 107.700 108.800 -0.041 0.000 2.132 107 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.234 107 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.234 107 G C 0.112 174.948 174.900 -0.108 0.000 0.989 107 G CA 0.407 45.471 45.100 -0.059 0.000 0.676 107 G HN 0.583 nan 8.290 nan 0.000 0.522 108 K N 0.349 120.712 120.400 -0.062 0.000 2.098 108 K HA 0.468 4.788 4.320 -0.000 0.000 0.261 108 K C 0.105 176.706 176.600 0.001 0.000 0.987 108 K CA -0.885 55.367 56.287 -0.059 0.000 0.916 108 K CB 0.724 33.263 32.500 0.065 0.000 1.039 108 K HN 0.310 nan 8.250 nan 0.000 0.455 109 H N 0.404 119.575 119.070 0.169 0.000 2.629 109 H HA 0.199 4.755 4.556 -0.000 0.000 0.357 109 H C -0.433 175.109 175.328 0.356 0.000 1.121 109 H CA -0.276 55.916 56.048 0.240 0.000 1.406 109 H CB 1.118 30.981 29.762 0.169 0.000 1.456 109 H HN 0.085 nan 8.280 nan 0.000 0.579 110 V N 3.829 124.072 119.914 0.548 0.000 2.531 110 V HA 0.181 4.301 4.120 -0.000 0.000 0.301 110 V C -1.205 175.008 176.094 0.199 0.000 1.034 110 V CA -0.636 61.888 62.300 0.375 0.000 0.865 110 V CB 1.726 33.730 31.823 0.302 0.000 0.995 110 V HN 0.635 nan 8.190 nan 0.000 0.424 111 Y N 5.387 125.596 120.300 -0.151 0.000 2.442 111 Y HA 0.751 5.301 4.550 -0.000 0.000 0.344 111 Y C -0.267 175.496 175.900 -0.229 0.000 0.976 111 Y CA -1.068 56.767 58.100 -0.441 0.000 1.040 111 Y CB 1.859 39.857 38.460 -0.771 0.000 1.228 111 Y HN 0.903 nan 8.280 nan 0.000 0.451 112 C N 3.847 122.697 119.300 -0.750 0.000 3.239 112 C HA 0.601 5.061 4.460 -0.000 0.000 0.329 112 C C -0.755 173.909 174.990 -0.543 0.000 1.252 112 C CA -0.994 57.644 59.018 -0.632 0.000 1.323 112 C CB 1.568 29.037 27.740 -0.452 0.000 1.663 112 C HN 0.832 nan 8.230 nan 0.000 0.487 113 E N 1.254 121.206 120.200 -0.414 0.000 2.410 113 E HA 0.455 4.805 4.350 -0.000 0.000 0.255 113 E C 0.507 177.008 176.600 -0.165 0.000 1.194 113 E CA 0.277 56.573 56.400 -0.173 0.000 0.955 113 E CB 0.572 30.230 29.700 -0.070 0.000 0.988 113 E HN 0.985 nan 8.360 nan 0.000 0.461 114 K N 1.284 121.633 120.400 -0.086 0.000 2.132 114 K HA 0.468 4.787 4.320 -0.000 0.000 0.241 114 K C -2.387 174.175 176.600 -0.063 0.000 1.000 114 K CA -1.479 54.748 56.287 -0.101 0.000 0.911 114 K CB -0.665 31.744 32.500 -0.151 0.000 1.093 114 K HN 0.249 nan 8.250 nan 0.000 0.460 115 P HA 0.160 nan 4.420 nan 0.000 0.270 115 P C 0.732 177.993 177.300 -0.065 0.000 1.223 115 P CA -0.239 62.824 63.100 -0.061 0.000 0.785 115 P CB 0.320 32.003 31.700 -0.029 0.000 0.923 116 I N -1.601 118.939 120.570 -0.049 0.000 3.059 116 I HA 0.372 4.542 4.170 -0.000 0.000 0.270 116 I C 0.563 176.658 176.117 -0.037 0.000 1.238 116 I CA 0.518 61.786 61.300 -0.054 0.000 1.478 116 I CB -0.044 37.934 38.000 -0.038 0.000 1.097 116 I HN 0.206 nan 8.210 nan 0.000 0.455 117 A N 0.411 123.220 122.820 -0.018 0.000 2.540 117 A HA 0.526 4.846 4.320 -0.000 0.000 0.291 117 A C 0.360 177.946 177.584 0.003 0.000 1.083 117 A CA -0.029 52.000 52.037 -0.014 0.000 0.650 117 A CB 0.412 19.410 19.000 -0.004 0.000 1.292 117 A HN 0.097 nan 8.150 nan 0.000 0.435 118 T N 0.660 115.216 114.554 0.003 0.000 3.107 118 T HA 0.212 4.561 4.350 -0.000 0.000 0.249 118 T C 0.361 175.087 174.700 0.043 0.000 1.096 118 T CA 0.547 62.657 62.100 0.017 0.000 1.012 118 T CB -0.402 68.468 68.868 0.003 0.000 0.977 118 T HN 0.499 nan 8.240 nan 0.000 0.527 119 N N -0.164 118.571 118.700 0.058 0.000 2.369 119 N HA 0.209 4.949 4.740 -0.000 0.000 0.287 119 N C -0.480 175.116 175.510 0.144 0.000 1.067 119 N CA -0.359 52.740 53.050 0.082 0.000 0.888 119 N CB 1.632 40.141 38.487 0.037 0.000 1.616 119 N HN -0.105 nan 8.380 nan 0.000 0.482 120 F N 3.802 123.757 119.950 0.009 0.000 2.113 120 F HA -0.075 4.451 4.527 -0.000 0.000 0.297 120 F C 2.245 178.050 175.800 0.008 0.000 1.103 120 F CA 1.767 59.774 58.000 0.012 0.000 1.248 120 F CB 0.062 39.075 39.000 0.021 0.000 0.999 120 F HN 0.590 nan 8.300 nan 0.000 0.475 121 E N 0.281 120.383 120.200 -0.163 0.000 2.110 121 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 121 E C 2.054 178.551 176.600 -0.172 0.000 0.988 121 E CA 1.561 57.805 56.400 -0.261 0.000 0.804 121 E CB -1.083 28.542 29.700 -0.124 0.000 0.745 121 E HN 0.636 nan 8.360 nan 0.000 0.458 122 E N 1.086 121.237 120.200 -0.082 0.000 2.077 122 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 122 E C 2.089 178.653 176.600 -0.059 0.000 0.989 122 E CA 1.193 57.559 56.400 -0.057 0.000 0.800 122 E CB -0.085 29.599 29.700 -0.026 0.000 0.746 122 E HN 0.316 nan 8.360 nan 0.000 0.452 123 A N 0.598 123.393 122.820 -0.041 0.000 1.902 123 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 123 A C 2.060 179.604 177.584 -0.066 0.000 1.181 123 A CA 0.980 53.006 52.037 -0.017 0.000 0.623 123 A CB -0.532 18.513 19.000 0.075 0.000 0.818 123 A HN 0.312 nan 8.150 nan 0.000 0.443 124 L N 0.145 121.265 121.223 -0.171 0.000 2.083 124 L HA -0.118 4.221 4.340 -0.000 0.000 0.209 124 L C 2.227 179.020 176.870 -0.128 0.000 1.083 124 L CA 2.022 56.744 54.840 -0.196 0.000 0.752 124 L CB -0.848 40.971 42.059 -0.399 0.000 0.899 124 L HN 0.511 nan 8.230 nan 0.000 0.433 125 E N -1.466 118.663 120.200 -0.119 0.000 2.150 125 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 125 E C 2.173 178.730 176.600 -0.073 0.000 0.985 125 E CA 1.172 57.521 56.400 -0.085 0.000 0.814 125 E CB -0.013 29.642 29.700 -0.074 0.000 0.752 125 E HN 0.320 nan 8.360 nan 0.000 0.466 126 V N 0.719 120.591 119.914 -0.071 0.000 2.358 126 V HA -0.222 3.897 4.120 -0.000 0.000 0.246 126 V C 2.283 178.312 176.094 -0.109 0.000 1.047 126 V CA 1.206 63.463 62.300 -0.071 0.000 1.035 126 V CB -0.309 31.483 31.823 -0.052 0.000 0.658 126 V HN 0.129 nan 8.190 nan 0.000 0.452 127 V N -0.147 119.706 119.914 -0.103 0.000 2.237 127 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 127 V C 2.427 178.446 176.094 -0.124 0.000 1.046 127 V CA 2.208 64.427 62.300 -0.135 0.000 1.007 127 V CB -0.730 31.074 31.823 -0.032 0.000 0.638 127 V HN 0.499 nan 8.190 nan 0.000 0.445 128 K N -0.348 120.010 120.400 -0.070 0.000 2.074 128 K HA -0.233 4.086 4.320 -0.000 0.000 0.209 128 K C 2.069 178.642 176.600 -0.046 0.000 1.048 128 K CA 1.732 57.993 56.287 -0.044 0.000 0.926 128 K CB -0.471 32.004 32.500 -0.041 0.000 0.713 128 K HN 0.279 nan 8.250 nan 0.000 0.444 129 L N 0.948 122.135 121.223 -0.060 0.000 1.976 129 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 129 L C 2.241 179.082 176.870 -0.048 0.000 1.071 129 L CA 2.066 56.877 54.840 -0.048 0.000 0.746 129 L CB -0.752 41.278 42.059 -0.048 0.000 0.890 129 L HN 0.170 nan 8.230 nan 0.000 0.432 130 A N -0.559 122.199 122.820 -0.103 0.000 1.986 130 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 130 A C 2.102 179.679 177.584 -0.012 0.000 1.171 130 A CA 2.086 54.060 52.037 -0.105 0.000 0.640 130 A CB -0.872 17.916 19.000 -0.354 0.000 0.811 130 A HN 0.644 nan 8.150 nan 0.000 0.451 131 N N 0.035 118.722 118.700 -0.021 0.000 2.142 131 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 131 N C 1.979 177.525 175.510 0.060 0.000 1.023 131 N CA 1.510 54.610 53.050 0.082 0.000 0.852 131 N CB -0.491 38.046 38.487 0.084 0.000 0.998 131 N HN 0.419 nan 8.380 nan 0.000 0.424 132 S N 0.772 116.488 115.700 0.026 0.000 2.383 132 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 132 S C 1.627 176.243 174.600 0.026 0.000 1.030 132 S CA 1.102 59.315 58.200 0.020 0.000 1.002 132 S CB 0.001 63.204 63.200 0.004 0.000 0.829 132 S HN 0.279 nan 8.310 nan 0.000 0.467 133 K N 0.276 120.694 120.400 0.029 0.000 2.418 133 K HA 0.129 4.449 4.320 -0.000 0.000 0.195 133 K C 1.472 178.104 176.600 0.054 0.000 1.035 133 K CA 0.693 57.000 56.287 0.032 0.000 1.003 133 K CB -0.552 31.963 32.500 0.025 0.000 0.793 133 K HN 0.473 nan 8.250 nan 0.000 0.494 134 G N 2.139 110.988 108.800 0.081 0.000 2.168 134 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.257 134 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.257 134 G C 0.401 175.380 174.900 0.132 0.000 0.997 134 G CA 0.636 45.795 45.100 0.098 0.000 0.708 134 G HN 0.280 nan 8.290 nan 0.000 0.520 135 V N -3.104 116.915 119.914 0.176 0.000 3.133 135 V HA 0.722 4.842 4.120 -0.000 0.000 0.305 135 V C 0.554 176.868 176.094 0.367 0.000 1.084 135 V CA -1.182 61.290 62.300 0.287 0.000 1.089 135 V CB 1.333 33.300 31.823 0.240 0.000 1.073 135 V HN 0.159 nan 8.190 nan 0.000 0.477 136 K N 2.797 123.432 120.400 0.392 0.000 2.205 136 K HA 0.421 4.741 4.320 -0.000 0.000 0.279 136 K C -0.548 176.351 176.600 0.499 0.000 1.027 136 K CA 0.045 56.408 56.287 0.128 0.000 0.932 136 K CB 0.953 33.092 32.500 -0.602 0.000 1.032 136 K HN 1.223 nan 8.250 nan 0.000 0.466 137 H N -2.002 117.361 119.070 0.488 0.000 2.894 137 H HA 0.742 5.298 4.556 -0.000 0.000 0.367 137 H C -0.383 175.199 175.328 0.423 0.000 1.144 137 H CA -1.125 55.181 56.048 0.431 0.000 1.180 137 H CB 1.980 31.895 29.762 0.255 0.000 1.758 137 H HN 0.662 nan 8.280 nan 0.000 0.541 138 G N 0.304 109.220 108.800 0.193 0.000 2.718 138 G HA2 0.471 4.431 3.960 -0.000 0.000 0.295 138 G HA3 0.471 4.431 3.960 -0.000 0.000 0.295 138 G C -1.504 173.318 174.900 -0.130 0.000 1.421 138 G CA -0.633 44.565 45.100 0.163 0.000 0.902 138 G HN 0.761 nan 8.290 nan 0.000 0.501 139 T N -0.432 114.058 114.554 -0.106 0.000 2.887 139 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 139 T C -0.201 174.281 174.700 -0.363 0.000 1.021 139 T CA -0.370 61.539 62.100 -0.319 0.000 1.000 139 T CB 1.578 70.360 68.868 -0.144 0.000 1.034 139 T HN 0.529 nan 8.240 nan 0.000 0.467 140 V N 5.247 124.887 119.914 -0.456 0.000 2.572 140 V HA 0.263 4.383 4.120 -0.000 0.000 0.291 140 V C 0.397 176.300 176.094 -0.319 0.000 1.039 140 V CA 0.343 62.462 62.300 -0.302 0.000 1.055 140 V CB 1.076 32.861 31.823 -0.063 0.000 0.969 140 V HN 0.846 nan 8.190 nan 0.000 0.482 141 Q N 3.297 122.800 119.800 -0.495 0.000 2.928 141 Q HA 0.140 4.480 4.340 -0.000 0.000 0.353 141 Q C 0.541 176.240 176.000 -0.501 0.000 0.870 141 Q CA -0.296 54.983 55.803 -0.874 0.000 0.963 141 Q CB 0.704 28.639 28.738 -1.339 0.000 1.419 141 Q HN 0.993 nan 8.270 nan 0.000 0.396 142 D N 0.341 120.613 120.400 -0.213 0.000 2.144 142 D HA -0.192 4.448 4.640 -0.000 0.000 0.200 142 D C 1.050 177.351 176.300 0.002 0.000 0.978 142 D CA 0.840 54.678 54.000 -0.269 0.000 0.833 142 D CB 0.381 40.711 40.800 -0.784 0.000 0.961 142 D HN 0.031 nan 8.370 nan 0.000 0.470 143 K N -0.047 120.465 120.400 0.187 0.000 2.160 143 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 143 K C 1.966 178.648 176.600 0.136 0.000 1.047 143 K CA 0.328 56.713 56.287 0.163 0.000 0.930 143 K CB -0.374 32.215 32.500 0.149 0.000 0.720 143 K HN 0.088 nan 8.250 nan 0.000 0.450 144 L N -0.771 120.551 121.223 0.164 0.000 2.376 144 L HA -0.000 4.339 4.340 -0.000 0.000 0.219 144 L C 0.955 177.672 176.870 -0.255 0.000 1.133 144 L CA 1.396 56.191 54.840 -0.074 0.000 0.816 144 L CB -0.221 41.728 42.059 -0.183 0.000 0.933 144 L HN 0.106 nan 8.230 nan 0.000 0.449 145 F N -1.556 118.330 119.950 -0.106 0.000 2.727 145 F HA 0.167 4.694 4.527 -0.000 0.000 0.302 145 F C 0.960 176.711 175.800 -0.082 0.000 1.097 145 F CA -0.525 57.418 58.000 -0.095 0.000 1.330 145 F CB -0.278 38.629 39.000 -0.154 0.000 1.084 145 F HN -0.218 nan 8.300 nan 0.000 0.578 146 L N 2.229 123.480 121.223 0.047 0.000 2.490 146 L HA 0.002 4.341 4.340 -0.000 0.000 0.274 146 L C -1.182 175.617 176.870 -0.119 0.000 1.201 146 L CA -1.264 53.572 54.840 -0.008 0.000 0.869 146 L CB 0.344 42.419 42.059 0.027 0.000 1.123 146 L HN -0.112 nan 8.230 nan 0.000 0.484 147 P HA -0.143 nan 4.420 nan 0.000 0.216 147 P C 1.445 178.533 177.300 -0.352 0.000 1.150 147 P CA 1.270 63.960 63.100 -0.682 0.000 0.837 147 P CB 0.194 31.267 31.700 -1.045 0.000 0.786 148 G N -0.098 108.603 108.800 -0.164 0.000 2.446 148 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.217 148 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.217 148 G C 1.443 176.347 174.900 0.006 0.000 1.168 148 G CA 0.598 45.675 45.100 -0.039 0.000 0.771 148 G HN 0.236 nan 8.290 nan 0.000 0.551 149 L N -0.284 120.937 121.223 -0.005 0.000 2.240 149 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 149 L C 2.876 179.727 176.870 -0.032 0.000 1.106 149 L CA 0.625 55.455 54.840 -0.017 0.000 0.793 149 L CB -0.262 41.765 42.059 -0.054 0.000 0.927 149 L HN 0.186 nan 8.230 nan 0.000 0.446 150 K N 0.581 120.953 120.400 -0.046 0.000 2.103 150 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 150 K C 2.079 178.736 176.600 0.094 0.000 1.048 150 K CA 1.300 57.591 56.287 0.007 0.000 0.930 150 K CB -0.011 32.518 32.500 0.048 0.000 0.716 150 K HN 0.316 nan 8.250 nan 0.000 0.444 151 K N 0.512 120.961 120.400 0.082 0.000 2.057 151 K HA -0.089 4.230 4.320 -0.000 0.000 0.207 151 K C 2.055 178.780 176.600 0.208 0.000 1.049 151 K CA 0.958 57.348 56.287 0.170 0.000 0.931 151 K CB -0.109 32.459 32.500 0.113 0.000 0.714 151 K HN 0.044 nan 8.250 nan 0.000 0.440 152 I N 1.609 122.277 120.570 0.164 0.000 2.208 152 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 152 I C 2.527 178.771 176.117 0.213 0.000 1.097 152 I CA 1.345 62.785 61.300 0.233 0.000 1.363 152 I CB -1.429 36.697 38.000 0.210 0.000 1.051 152 I HN 0.125 nan 8.210 nan 0.000 0.413 153 A N 0.470 123.356 122.820 0.110 0.000 1.902 153 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 153 A C 2.289 179.964 177.584 0.151 0.000 1.181 153 A CA 1.576 53.662 52.037 0.081 0.000 0.623 153 A CB -1.074 17.939 19.000 0.022 0.000 0.818 153 A HN 0.418 nan 8.150 nan 0.000 0.443 154 F N 0.616 120.597 119.950 0.051 0.000 2.186 154 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 154 F C 1.785 177.615 175.800 0.050 0.000 1.090 154 F CA 1.409 59.436 58.000 0.046 0.000 1.307 154 F CB -0.308 38.715 39.000 0.039 0.000 1.019 154 F HN 0.135 nan 8.300 nan 0.000 0.489 155 L N 0.189 121.319 121.223 -0.156 0.000 2.046 155 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 155 L C 2.821 179.642 176.870 -0.080 0.000 1.077 155 L CA 1.711 56.365 54.840 -0.309 0.000 0.747 155 L CB -0.786 41.077 42.059 -0.326 0.000 0.896 155 L HN 0.149 nan 8.230 nan 0.000 0.432 156 R N 0.520 121.148 120.500 0.214 0.000 2.070 156 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 156 R C 1.897 178.248 176.300 0.084 0.000 1.138 156 R CA 2.202 58.466 56.100 0.274 0.000 0.936 156 R CB -0.314 30.125 30.300 0.230 0.000 0.839 156 R HN 0.271 nan 8.270 nan 0.000 0.429 157 D N 0.335 120.749 120.400 0.024 0.000 2.158 157 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 157 D C 1.670 177.941 176.300 -0.049 0.000 0.995 157 D CA 1.946 55.948 54.000 0.003 0.000 0.846 157 D CB -0.177 40.649 40.800 0.043 0.000 0.941 157 D HN 0.407 nan 8.370 nan 0.000 0.456 158 S N -1.469 114.117 115.700 -0.189 0.000 2.577 158 S HA 0.358 4.828 4.470 -0.000 0.000 0.219 158 S C 1.613 176.150 174.600 -0.105 0.000 0.962 158 S CA 0.415 58.492 58.200 -0.206 0.000 0.921 158 S CB 0.476 63.377 63.200 -0.498 0.000 0.789 158 S HN 0.323 nan 8.310 nan 0.000 0.497 159 G N 1.134 109.911 108.800 -0.039 0.000 2.148 159 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 159 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 159 G C 0.306 175.223 174.900 0.027 0.000 0.981 159 G CA 0.247 45.361 45.100 0.024 0.000 0.670 159 G HN 0.612 nan 8.290 nan 0.000 0.528 160 F N 0.583 120.411 119.950 -0.203 0.000 2.115 160 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 160 F C 2.113 177.791 175.800 -0.203 0.000 1.092 160 F CA 2.552 60.381 58.000 -0.283 0.000 1.245 160 F CB -0.242 38.434 39.000 -0.539 0.000 0.995 160 F HN 0.181 nan 8.300 nan 0.000 0.481 161 F N 0.141 120.090 119.950 -0.002 0.000 2.416 161 F HA 0.251 4.778 4.527 -0.000 0.000 0.296 161 F C 2.105 177.770 175.800 -0.226 0.000 1.099 161 F CA 0.860 58.797 58.000 -0.105 0.000 1.427 161 F CB -0.892 38.149 39.000 0.068 0.000 1.079 161 F HN 0.252 nan 8.300 nan 0.000 0.536 162 G N 0.341 109.091 108.800 -0.084 0.000 2.609 162 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.288 162 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.288 162 G C 0.319 175.113 174.900 -0.178 0.000 1.211 162 G CA 0.062 44.909 45.100 -0.423 0.000 0.963 162 G HN 0.376 nan 8.290 nan 0.000 0.541 163 R N 0.770 121.145 120.500 -0.208 0.000 2.207 163 R HA 0.588 4.928 4.340 -0.000 0.000 0.334 163 R C 0.455 176.719 176.300 -0.059 0.000 1.013 163 R CA -0.694 55.350 56.100 -0.094 0.000 0.858 163 R CB 0.108 30.349 30.300 -0.099 0.000 1.094 163 R HN 0.442 nan 8.270 nan 0.000 0.457 164 I N 6.014 126.555 120.570 -0.047 0.000 2.710 164 I HA -0.116 4.054 4.170 -0.000 0.000 0.286 164 I C 0.971 177.023 176.117 -0.108 0.000 1.181 164 I CA 0.362 61.583 61.300 -0.131 0.000 1.430 164 I CB 0.829 38.723 38.000 -0.176 0.000 1.367 164 I HN 0.706 nan 8.210 nan 0.000 0.577 165 L N 4.582 125.734 121.223 -0.119 0.000 2.547 165 L HA 0.222 4.562 4.340 -0.000 0.000 0.218 165 L C 0.466 177.277 176.870 -0.097 0.000 1.048 165 L CA 0.177 54.966 54.840 -0.084 0.000 0.859 165 L CB 0.072 42.098 42.059 -0.055 0.000 1.128 165 L HN 0.780 nan 8.230 nan 0.000 0.483 166 S N -1.326 114.288 115.700 -0.144 0.000 2.595 166 S HA 0.671 5.141 4.470 -0.000 0.000 0.270 166 S C -1.138 173.319 174.600 -0.237 0.000 1.145 166 S CA -0.778 57.334 58.200 -0.145 0.000 0.825 166 S CB 2.343 65.502 63.200 -0.069 0.000 1.107 166 S HN -0.220 nan 8.310 nan 0.000 0.461 167 V N 1.066 120.844 119.914 -0.227 0.000 2.623 167 V HA 0.610 4.730 4.120 -0.000 0.000 0.304 167 V C -0.648 175.392 176.094 -0.090 0.000 1.054 167 V CA -0.605 61.526 62.300 -0.282 0.000 0.882 167 V CB 1.836 33.303 31.823 -0.593 0.000 1.002 167 V HN 0.909 nan 8.190 nan 0.000 0.424 168 R N 2.358 122.831 120.500 -0.045 0.000 2.310 168 R HA 0.686 5.026 4.340 -0.000 0.000 0.324 168 R C 0.177 176.390 176.300 -0.145 0.000 0.955 168 R CA -0.226 55.852 56.100 -0.037 0.000 0.830 168 R CB 1.947 32.235 30.300 -0.020 0.000 1.154 168 R HN 0.931 nan 8.270 nan 0.000 0.458 169 G N 2.111 110.738 108.800 -0.288 0.000 2.416 169 G HA2 0.363 4.322 3.960 -0.000 0.000 0.324 169 G HA3 0.363 4.322 3.960 -0.000 0.000 0.324 169 G C -0.806 173.782 174.900 -0.521 0.000 1.194 169 G CA -0.365 44.280 45.100 -0.758 0.000 0.922 169 G HN 0.385 nan 8.290 nan 0.000 0.467 170 E N 1.525 121.432 120.200 -0.488 0.000 2.220 170 E HA 0.334 4.684 4.350 -0.000 0.000 0.256 170 E C -1.693 174.803 176.600 -0.173 0.000 0.881 170 E CA -0.540 55.709 56.400 -0.251 0.000 0.766 170 E CB 2.523 32.132 29.700 -0.151 0.000 1.187 170 E HN 0.389 nan 8.360 nan 0.000 0.419 171 F N 1.533 121.329 119.950 -0.257 0.000 2.551 171 F HA 0.707 5.234 4.527 -0.000 0.000 0.316 171 F C 0.239 175.941 175.800 -0.164 0.000 1.089 171 F CA 0.221 58.139 58.000 -0.137 0.000 0.915 171 F CB 1.809 40.823 39.000 0.022 0.000 1.186 171 F HN 0.573 nan 8.300 nan 0.000 0.456 172 G N 3.220 111.242 108.800 -1.296 0.000 2.381 172 G HA2 0.284 4.244 3.960 -0.000 0.000 0.672 172 G HA3 0.284 4.244 3.960 -0.000 0.000 0.672 172 G C -2.155 172.555 174.900 -0.318 0.000 1.324 172 G CA -0.407 44.040 45.100 -1.087 0.000 0.975 172 G HN 1.657 nan 8.290 nan 0.000 0.593 173 Y N -4.046 116.108 120.300 -0.243 0.000 2.713 173 Y HA 0.689 5.239 4.550 -0.000 0.000 0.335 173 Y C -0.748 175.168 175.900 0.026 0.000 1.222 173 Y CA -2.006 56.061 58.100 -0.055 0.000 1.061 173 Y CB 0.899 39.340 38.460 -0.031 0.000 1.314 173 Y HN 0.928 nan 8.280 nan 0.000 0.453 174 W N 3.699 125.001 121.300 0.004 0.000 2.546 174 W HA 0.504 5.163 4.660 -0.000 0.000 0.323 174 W C -1.267 175.063 176.519 -0.316 0.000 1.272 174 W CA -0.494 56.736 57.345 -0.191 0.000 1.404 174 W CB 1.162 30.450 29.460 -0.288 0.000 1.411 174 W HN 0.437 nan 8.180 nan 0.000 0.480 175 V N 8.937 128.557 119.914 -0.490 0.000 2.372 175 V HA -0.024 4.096 4.120 -0.000 0.000 0.261 175 V C 0.370 176.286 176.094 -0.296 0.000 1.055 175 V CA -0.469 61.636 62.300 -0.325 0.000 0.930 175 V CB -0.446 31.179 31.823 -0.330 0.000 1.031 175 V HN 0.184 nan 8.190 nan 0.000 0.479 176 F N 3.527 123.595 119.950 0.196 0.000 2.629 176 F HA 0.020 4.547 4.527 -0.000 0.000 0.377 176 F C 1.498 177.352 175.800 0.089 0.000 1.101 176 F CA 0.113 58.271 58.000 0.264 0.000 1.301 176 F CB 0.222 39.361 39.000 0.232 0.000 1.062 176 F HN 0.558 nan 8.300 nan 0.000 0.583 177 E N 1.307 121.721 120.200 0.357 0.000 2.347 177 E HA 0.096 4.445 4.350 -0.000 0.000 0.196 177 E C 1.970 178.697 176.600 0.212 0.000 1.008 177 E CA 0.952 57.449 56.400 0.161 0.000 0.852 177 E CB -0.119 29.694 29.700 0.189 0.000 0.783 177 E HN 0.949 nan 8.360 nan 0.000 0.505 178 G N -0.551 108.374 108.800 0.209 0.000 2.254 178 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.225 178 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.225 178 G C 1.184 175.931 174.900 -0.255 0.000 1.003 178 G CA 0.168 45.337 45.100 0.115 0.000 0.622 178 G HN 0.486 nan 8.290 nan 0.000 0.507 179 G N 0.051 108.656 108.800 -0.324 0.000 2.639 179 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 179 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 179 G C 1.374 175.737 174.900 -0.895 0.000 1.267 179 G CA 1.649 46.182 45.100 -0.945 0.000 0.801 179 G HN 0.678 nan 8.290 nan 0.000 0.592 180 W N -0.037 121.173 121.300 -0.151 0.000 3.013 180 W HA 0.451 5.111 4.660 -0.001 0.000 0.280 180 W C 1.205 177.617 176.519 -0.179 0.000 1.249 180 W CA -0.463 56.791 57.345 -0.153 0.000 1.577 180 W CB 0.727 30.117 29.460 -0.116 0.000 1.057 180 W HN 0.094 nan 8.180 nan 0.000 0.613 181 Q N 0.588 120.371 119.800 -0.028 0.000 2.397 181 Q HA 0.226 4.565 4.340 -0.000 0.000 0.275 181 Q C -1.026 174.946 176.000 -0.047 0.000 1.090 181 Q CA -0.819 54.881 55.803 -0.172 0.000 0.809 181 Q CB 2.902 31.244 28.738 -0.660 0.000 1.362 181 Q HN -0.074 nan 8.270 nan 0.000 0.431 182 E N 0.785 120.978 120.200 -0.012 0.000 2.313 182 E HA 0.369 4.719 4.350 -0.000 0.000 0.276 182 E C -0.804 175.908 176.600 0.186 0.000 1.031 182 E CA -0.297 56.148 56.400 0.074 0.000 0.857 182 E CB 0.929 30.662 29.700 0.054 0.000 1.040 182 E HN 0.639 nan 8.360 nan 0.000 0.408 183 A N 3.743 126.672 122.820 0.182 0.000 2.511 183 A HA -0.053 4.266 4.320 -0.000 0.000 0.242 183 A C 0.599 178.283 177.584 0.167 0.000 1.069 183 A CA 0.011 52.157 52.037 0.183 0.000 0.763 183 A CB 0.384 19.446 19.000 0.103 0.000 1.001 183 A HN 0.791 nan 8.150 nan 0.000 0.498 184 Q N 0.602 120.514 119.800 0.187 0.000 2.297 184 Q HA -0.029 4.311 4.340 -0.000 0.000 0.204 184 Q C 0.417 176.468 176.000 0.085 0.000 0.962 184 Q CA 1.312 57.216 55.803 0.168 0.000 0.879 184 Q CB 0.044 28.935 28.738 0.254 0.000 0.947 184 Q HN 0.731 nan 8.270 nan 0.000 0.462 185 R N 0.046 120.556 120.500 0.017 0.000 2.803 185 R HA 0.453 4.793 4.340 -0.000 0.000 0.276 185 R C -2.599 173.670 176.300 -0.051 0.000 0.978 185 R CA -2.291 53.765 56.100 -0.074 0.000 0.939 185 R CB 0.798 30.929 30.300 -0.281 0.000 1.179 185 R HN -0.138 nan 8.270 nan 0.000 0.472 186 P HA -0.066 nan 4.420 nan 0.000 0.266 186 P C 0.513 177.708 177.300 -0.176 0.000 1.195 186 P CA 0.191 63.240 63.100 -0.086 0.000 0.768 186 P CB 0.765 32.453 31.700 -0.022 0.000 0.838 187 S N 3.016 118.705 115.700 -0.017 0.000 2.423 187 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 187 S C 1.770 176.340 174.600 -0.049 0.000 1.014 187 S CA 0.334 58.555 58.200 0.034 0.000 0.965 187 S CB -1.196 61.908 63.200 -0.160 0.000 0.785 187 S HN 0.724 nan 8.310 nan 0.000 0.495 188 W N 2.846 124.092 121.300 -0.089 0.000 2.331 188 W HA -0.134 4.526 4.660 -0.001 0.000 0.291 188 W C 1.048 177.487 176.519 -0.133 0.000 1.214 188 W CA 0.881 58.161 57.345 -0.108 0.000 1.228 188 W CB -1.261 28.143 29.460 -0.094 0.000 1.135 188 W HN 0.262 nan 8.180 nan 0.000 0.537 189 N N 0.721 118.794 118.700 -1.045 0.000 2.430 189 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 189 N C 0.473 175.432 175.510 -0.918 0.000 1.032 189 N CA 1.423 53.716 53.050 -1.261 0.000 0.893 189 N CB -0.589 36.894 38.487 -1.675 0.000 0.957 189 N HN 0.360 nan 8.380 nan 0.000 0.442 190 Y N -0.021 120.208 120.300 -0.118 0.000 2.507 190 Y HA 0.317 4.867 4.550 -0.000 0.000 0.254 190 Y C 0.298 176.279 175.900 0.136 0.000 1.171 190 Y CA -0.251 57.870 58.100 0.035 0.000 1.238 190 Y CB 0.505 39.014 38.460 0.081 0.000 1.148 190 Y HN -0.260 nan 8.280 nan 0.000 0.525 191 R N 0.592 121.196 120.500 0.174 0.000 2.360 191 R HA 0.123 4.463 4.340 -0.000 0.000 0.318 191 R C 0.104 176.485 176.300 0.135 0.000 0.950 191 R CA -0.300 55.900 56.100 0.168 0.000 0.837 191 R CB 1.275 31.652 30.300 0.129 0.000 1.165 191 R HN 0.099 nan 8.270 nan 0.000 0.458 192 D N 2.643 123.115 120.400 0.121 0.000 2.133 192 D HA -0.243 4.396 4.640 -0.000 0.000 0.195 192 D C 1.632 177.985 176.300 0.088 0.000 0.997 192 D CA 1.779 55.840 54.000 0.103 0.000 0.840 192 D CB 0.553 41.404 40.800 0.085 0.000 0.947 192 D HN 0.630 nan 8.370 nan 0.000 0.452 193 E N -0.176 120.068 120.200 0.074 0.000 2.338 193 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 193 E C 0.627 177.254 176.600 0.046 0.000 1.007 193 E CA 0.985 57.415 56.400 0.050 0.000 0.849 193 E CB -0.207 29.516 29.700 0.039 0.000 0.774 193 E HN 0.421 nan 8.360 nan 0.000 0.506 194 D N 0.068 120.516 120.400 0.080 0.000 2.369 194 D HA 0.178 4.818 4.640 -0.000 0.000 0.211 194 D C 0.821 177.185 176.300 0.107 0.000 1.077 194 D CA 0.716 54.761 54.000 0.074 0.000 0.842 194 D CB 0.982 41.848 40.800 0.110 0.000 0.947 194 D HN 0.415 nan 8.370 nan 0.000 0.509 195 G N 0.539 109.427 108.800 0.146 0.000 2.168 195 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.197 195 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.197 195 G C 0.735 175.832 174.900 0.327 0.000 0.997 195 G CA -0.217 44.988 45.100 0.175 0.000 0.658 195 G HN 0.525 nan 8.290 nan 0.000 0.513 196 G N -0.670 108.296 108.800 0.278 0.000 2.599 196 G HA2 0.784 4.744 3.960 -0.000 0.000 0.264 196 G HA3 0.784 4.744 3.960 -0.000 0.000 0.264 196 G C 0.577 175.517 174.900 0.066 0.000 1.200 196 G CA 0.392 45.556 45.100 0.107 0.000 0.896 196 G HN 1.901 nan 8.290 nan 0.000 0.536 197 G N -0.931 107.860 108.800 -0.015 0.000 2.873 197 G HA2 0.024 3.984 3.960 -0.000 0.000 0.507 197 G HA3 0.024 3.984 3.960 -0.000 0.000 0.507 197 G C 0.444 175.392 174.900 0.080 0.000 1.440 197 G CA -0.035 45.107 45.100 0.070 0.000 1.016 197 G HN 0.917 nan 8.290 nan 0.000 0.615 198 I N 2.167 122.805 120.570 0.113 0.000 2.315 198 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 198 I C 2.508 178.630 176.117 0.009 0.000 1.117 198 I CA 1.012 62.372 61.300 0.101 0.000 1.404 198 I CB -0.100 37.875 38.000 -0.041 0.000 1.071 198 I HN 0.677 nan 8.210 nan 0.000 0.419 199 I N 0.597 121.179 120.570 0.020 0.000 2.142 199 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 199 I C 2.376 178.505 176.117 0.021 0.000 1.078 199 I CA 1.741 63.056 61.300 0.025 0.000 1.343 199 I CB -0.413 37.629 38.000 0.070 0.000 1.046 199 I HN 0.349 nan 8.210 nan 0.000 0.405 200 L N -0.878 120.372 121.223 0.045 0.000 2.395 200 L HA 0.129 4.469 4.340 -0.000 0.000 0.218 200 L C 0.978 177.841 176.870 -0.011 0.000 1.130 200 L CA 0.969 55.826 54.840 0.028 0.000 0.826 200 L CB -0.564 41.530 42.059 0.059 0.000 0.941 200 L HN 0.078 nan 8.230 nan 0.000 0.451 204 C N 0.680 119.823 119.300 -0.261 0.000 2.413 204 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 204 C C 2.570 177.370 174.990 -0.316 0.000 1.228 204 C CA 1.914 60.787 59.018 -0.242 0.000 1.731 204 C CB -0.964 26.610 27.740 -0.276 0.000 2.042 204 C HN 0.654 nan 8.230 nan 0.000 0.468 205 H N -1.254 117.522 119.070 -0.490 0.000 2.321 205 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 205 H C 2.258 177.071 175.328 -0.858 0.000 1.087 205 H CA 2.027 57.594 56.048 -0.803 0.000 1.319 205 H CB -0.821 28.375 29.762 -0.944 0.000 1.379 205 H HN 0.727 nan 8.280 nan 0.000 0.501 206 W N 1.162 122.271 121.300 -0.318 0.000 2.364 206 W HA -0.187 4.473 4.660 -0.000 0.000 0.281 206 W C 2.773 179.047 176.519 -0.409 0.000 1.219 206 W CA 0.311 57.441 57.345 -0.359 0.000 1.220 206 W CB -0.144 29.136 29.460 -0.300 0.000 1.127 206 W HN 0.077 nan 8.180 nan 0.000 0.556 207 R N 1.382 121.816 120.500 -0.111 0.000 2.073 207 R HA -0.234 4.106 4.340 -0.000 0.000 0.234 207 R C 2.113 178.397 176.300 -0.027 0.000 1.134 207 R CA 2.361 58.418 56.100 -0.070 0.000 0.952 207 R CB -1.354 28.943 30.300 -0.005 0.000 0.850 207 R HN 0.487 nan 8.270 nan 0.000 0.433 208 Y N -1.891 118.407 120.300 -0.004 0.000 2.365 208 Y HA 0.185 4.734 4.550 -0.000 0.000 0.293 208 Y C 1.817 177.694 175.900 -0.039 0.000 1.119 208 Y CA 0.357 58.455 58.100 -0.003 0.000 1.203 208 Y CB -0.907 37.568 38.460 0.024 0.000 1.026 208 Y HN -0.161 nan 8.280 nan 0.000 0.549 209 V N 1.690 121.408 119.914 -0.325 0.000 2.233 209 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 209 V C 2.563 178.503 176.094 -0.257 0.000 1.050 209 V CA 2.397 64.538 62.300 -0.265 0.000 1.010 209 V CB -0.828 30.840 31.823 -0.259 0.000 0.637 209 V HN 0.496 nan 8.190 nan 0.000 0.444 210 L N -0.394 120.735 121.223 -0.156 0.000 2.017 210 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 210 L C 2.396 179.229 176.870 -0.061 0.000 1.073 210 L CA 1.709 56.526 54.840 -0.039 0.000 0.745 210 L CB -0.930 41.080 42.059 -0.082 0.000 0.894 210 L HN 0.300 nan 8.230 nan 0.000 0.432 211 D N 0.193 120.564 120.400 -0.049 0.000 2.106 211 D HA -0.199 4.441 4.640 -0.000 0.000 0.191 211 D C 2.040 178.308 176.300 -0.054 0.000 0.997 211 D CA 1.317 55.304 54.000 -0.021 0.000 0.834 211 D CB -0.312 40.498 40.800 0.015 0.000 0.956 211 D HN 0.297 nan 8.370 nan 0.000 0.448 212 N N -0.094 118.564 118.700 -0.071 0.000 2.135 212 N HA -0.039 4.701 4.740 -0.000 0.000 0.186 212 N C 2.090 177.468 175.510 -0.219 0.000 1.027 212 N CA 0.577 53.567 53.050 -0.100 0.000 0.849 212 N CB -0.045 38.418 38.487 -0.039 0.000 1.002 212 N HN 0.214 nan 8.380 nan 0.000 0.425 213 L N -0.740 120.219 121.223 -0.440 0.000 2.095 213 L HA -0.003 4.337 4.340 -0.000 0.000 0.204 213 L C 1.209 177.676 176.870 -0.672 0.000 1.080 213 L CA 1.081 55.443 54.840 -0.797 0.000 0.759 213 L CB -0.099 41.014 42.059 -1.576 0.000 0.914 213 L HN 0.069 nan 8.230 nan 0.000 0.439 214 F N -1.266 118.631 119.950 -0.089 0.000 2.778 214 F HA 0.500 5.027 4.527 -0.000 0.000 0.314 214 F C 0.917 176.680 175.800 -0.062 0.000 1.073 214 F CA -0.063 57.882 58.000 -0.091 0.000 1.218 214 F CB 0.350 39.279 39.000 -0.118 0.000 1.037 214 F HN -0.023 nan 8.300 nan 0.000 0.594 215 G N 0.561 109.413 108.800 0.087 0.000 2.326 215 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.413 215 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.413 215 G C -1.405 173.522 174.900 0.044 0.000 1.444 215 G CA -1.271 43.863 45.100 0.056 0.000 1.002 215 G HN 0.086 nan 8.290 nan 0.000 0.649 216 N N -0.685 118.035 118.700 0.034 0.000 2.513 216 N HA 0.350 5.090 4.740 -0.000 0.000 0.268 216 N C 0.497 176.038 175.510 0.052 0.000 1.180 216 N CA -0.450 52.620 53.050 0.034 0.000 0.948 216 N CB 1.535 40.039 38.487 0.029 0.000 1.083 216 N HN 0.405 nan 8.380 nan 0.000 0.455 217 V N 2.886 122.833 119.914 0.054 0.000 2.446 217 V HA -0.052 4.068 4.120 -0.000 0.000 0.276 217 V C 1.063 177.224 176.094 0.113 0.000 1.030 217 V CA 0.531 62.891 62.300 0.100 0.000 1.033 217 V CB 0.748 32.630 31.823 0.098 0.000 0.993 217 V HN 0.804 nan 8.190 nan 0.000 0.477 218 Q N 2.734 122.612 119.800 0.131 0.000 2.324 218 Q HA 0.145 4.484 4.340 -0.000 0.000 0.207 218 Q C 0.544 176.628 176.000 0.141 0.000 0.928 218 Q CA 0.816 56.681 55.803 0.104 0.000 0.890 218 Q CB 0.809 29.586 28.738 0.064 0.000 1.001 218 Q HN 0.903 nan 8.270 nan 0.000 0.517 219 S N -1.132 114.705 115.700 0.228 0.000 2.547 219 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 219 S C -1.296 173.596 174.600 0.486 0.000 1.150 219 S CA -0.954 57.440 58.200 0.325 0.000 0.850 219 S CB 2.130 65.517 63.200 0.312 0.000 1.118 219 S HN 0.005 nan 8.310 nan 0.000 0.461 220 V N 1.055 121.186 119.914 0.362 0.000 2.841 220 V HA 0.897 5.017 4.120 -0.000 0.000 0.310 220 V C -1.334 174.566 176.094 -0.322 0.000 1.090 220 V CA -0.565 61.732 62.300 -0.006 0.000 0.930 220 V CB 1.822 33.615 31.823 -0.050 0.000 1.014 220 V HN 1.127 nan 8.190 nan 0.000 0.425 221 V N 6.447 125.783 119.914 -0.962 0.000 2.604 221 V HA 0.849 4.969 4.120 -0.000 0.000 0.305 221 V C -0.666 175.040 176.094 -0.646 0.000 1.043 221 V CA -0.050 61.686 62.300 -0.941 0.000 0.888 221 V CB 1.521 32.374 31.823 -1.615 0.000 0.995 221 V HN 1.286 nan 8.190 nan 0.000 0.429 222 C N 7.103 126.172 119.300 -0.385 0.000 3.082 222 C HA 0.714 5.173 4.460 -0.000 0.000 0.324 222 C C -1.365 173.492 174.990 -0.222 0.000 1.210 222 C CA -0.642 58.204 59.018 -0.287 0.000 1.366 222 C CB 0.937 28.542 27.740 -0.224 0.000 1.756 222 C HN 1.011 nan 8.230 nan 0.000 0.485 223 I N 4.070 124.457 120.570 -0.305 0.000 2.569 223 I HA 0.684 4.854 4.170 -0.000 0.000 0.290 223 I C 0.267 175.893 176.117 -0.819 0.000 1.088 223 I CA 0.108 61.046 61.300 -0.603 0.000 1.047 223 I CB 1.886 39.688 38.000 -0.330 0.000 1.237 223 I HN 0.917 nan 8.210 nan 0.000 0.421 224 G N 4.278 111.940 108.800 -1.898 0.000 2.552 224 G HA2 0.544 4.504 3.960 -0.000 0.000 0.318 224 G HA3 0.544 4.504 3.960 -0.000 0.000 0.318 224 G C -1.388 172.966 174.900 -0.910 0.000 1.240 224 G CA -0.465 43.771 45.100 -1.440 0.000 1.002 224 G HN 0.637 nan 8.290 nan 0.000 0.493 225 N N -2.636 115.865 118.700 -0.331 0.000 3.127 225 N HA 0.422 5.161 4.740 -0.000 0.000 0.239 225 N C -1.558 173.996 175.510 0.074 0.000 1.407 225 N CA -0.502 52.551 53.050 0.004 0.000 0.891 225 N CB 1.834 40.343 38.487 0.035 0.000 1.447 225 N HN 0.334 nan 8.380 nan 0.000 0.507 226 T N 1.259 115.883 114.554 0.118 0.000 2.977 226 T HA 0.252 4.601 4.350 -0.000 0.000 0.346 226 T C -0.342 174.395 174.700 0.061 0.000 1.140 226 T CA -0.349 61.812 62.100 0.103 0.000 1.040 226 T CB 0.611 69.555 68.868 0.126 0.000 1.046 226 T HN 0.383 nan 8.240 nan 0.000 0.494 227 D N 1.688 122.106 120.400 0.030 0.000 2.183 227 D HA 0.031 4.671 4.640 -0.000 0.000 0.203 227 D C 0.569 176.872 176.300 0.004 0.000 0.969 227 D CA 0.856 54.865 54.000 0.015 0.000 0.842 227 D CB 0.334 41.125 40.800 -0.015 0.000 0.957 227 D HN 0.399 nan 8.370 nan 0.000 0.484 228 I N 1.943 122.496 120.570 -0.028 0.000 2.382 228 I HA 0.149 4.318 4.170 -0.000 0.000 0.285 228 I C -1.703 174.378 176.117 -0.059 0.000 1.007 228 I CA -2.108 59.163 61.300 -0.048 0.000 1.142 228 I CB 1.550 39.483 38.000 -0.111 0.000 1.289 228 I HN -0.233 nan 8.210 nan 0.000 0.453 229 P HA 0.012 nan 4.420 nan 0.000 0.222 229 P C 0.296 177.519 177.300 -0.129 0.000 1.153 229 P CA 0.987 64.055 63.100 -0.054 0.000 0.798 229 P CB 1.166 32.848 31.700 -0.030 0.000 0.796 230 E N -0.832 119.254 120.200 -0.189 0.000 2.340 230 E HA 0.543 4.893 4.350 -0.000 0.000 0.273 230 E C -0.512 175.827 176.600 -0.435 0.000 0.891 230 E CA -0.722 55.470 56.400 -0.346 0.000 0.757 230 E CB 2.175 31.691 29.700 -0.306 0.000 1.231 230 E HN -0.151 nan 8.360 nan 0.000 0.439 231 R N 1.507 121.555 120.500 -0.753 0.000 2.870 231 R HA 0.516 4.856 4.340 -0.000 0.000 0.262 231 R C -1.357 174.440 176.300 -0.838 0.000 1.112 231 R CA -0.850 54.867 56.100 -0.639 0.000 0.976 231 R CB 1.049 30.988 30.300 -0.601 0.000 1.261 231 R HN 0.283 nan 8.270 nan 0.000 0.453 232 F N 0.636 120.476 119.950 -0.182 0.000 2.493 232 F HA 0.257 4.784 4.527 -0.000 0.000 0.329 232 F C 0.254 176.253 175.800 0.331 0.000 1.126 232 F CA -0.798 57.242 58.000 0.066 0.000 0.937 232 F CB 1.441 40.430 39.000 -0.018 0.000 1.146 232 F HN 0.257 nan 8.300 nan 0.000 0.442 233 D N 1.856 122.595 120.400 0.565 0.000 2.505 233 D HA -0.101 4.538 4.640 -0.000 0.000 0.229 233 D C 1.116 177.537 176.300 0.202 0.000 1.215 233 D CA 0.687 54.845 54.000 0.263 0.000 0.880 233 D CB 0.678 41.576 40.800 0.164 0.000 1.228 233 D HN 0.596 nan 8.370 nan 0.000 0.497 234 E N 0.397 120.669 120.200 0.120 0.000 2.396 234 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 234 E C 1.039 177.688 176.600 0.082 0.000 1.023 234 E CA 1.094 57.550 56.400 0.094 0.000 0.857 234 E CB 0.006 29.749 29.700 0.072 0.000 0.775 234 E HN 0.304 nan 8.360 nan 0.000 0.525 235 Q N -1.351 118.503 119.800 0.090 0.000 2.198 235 Q HA 0.328 4.667 4.340 -0.000 0.000 0.209 235 Q C 0.871 176.928 176.000 0.095 0.000 0.848 235 Q CA 0.465 56.313 55.803 0.076 0.000 0.974 235 Q CB 1.178 29.952 28.738 0.060 0.000 1.115 235 Q HN 0.257 nan 8.270 nan 0.000 0.494 236 G N 0.497 109.382 108.800 0.141 0.000 2.176 236 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 236 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 236 G C 0.120 175.224 174.900 0.341 0.000 0.979 236 G CA -0.148 45.050 45.100 0.164 0.000 0.641 236 G HN 0.212 nan 8.290 nan 0.000 0.530 237 K N 1.123 121.690 120.400 0.278 0.000 2.378 237 K HA 0.212 4.531 4.320 -0.000 0.000 0.288 237 K C 0.902 177.621 176.600 0.198 0.000 1.057 237 K CA -0.326 56.099 56.287 0.230 0.000 0.971 237 K CB 0.361 32.948 32.500 0.144 0.000 0.975 237 K HN 0.315 nan 8.250 nan 0.000 0.475 238 K N 4.079 124.460 120.400 -0.032 0.000 2.504 238 K HA -0.140 4.180 4.320 -0.000 0.000 0.278 238 K C -0.889 175.615 176.600 -0.160 0.000 1.025 238 K CA 0.775 56.750 56.287 -0.520 0.000 1.093 238 K CB 0.181 32.459 32.500 -0.369 0.000 0.873 238 K HN 0.424 nan 8.250 nan 0.000 0.483 239 Y N 0.592 120.708 120.300 -0.308 0.000 2.588 239 Y HA 0.401 4.951 4.550 -0.000 0.000 0.343 239 Y C -1.219 174.598 175.900 -0.138 0.000 1.065 239 Y CA -1.644 56.365 58.100 -0.153 0.000 1.038 239 Y CB 0.858 39.272 38.460 -0.076 0.000 1.297 239 Y HN 0.381 nan 8.280 nan 0.000 0.467 240 K N 2.379 122.809 120.400 0.049 0.000 2.285 240 K HA 0.723 5.043 4.320 -0.000 0.000 0.286 240 K C -0.798 175.844 176.600 0.070 0.000 1.072 240 K CA -0.208 56.066 56.287 -0.022 0.000 0.913 240 K CB 0.779 33.285 32.500 0.011 0.000 1.067 240 K HN 0.916 nan 8.250 nan 0.000 0.479 241 A N 3.904 126.700 122.820 -0.039 0.000 2.347 241 A HA 0.247 4.567 4.320 -0.000 0.000 0.287 241 A C 0.667 178.316 177.584 0.107 0.000 1.199 241 A CA -0.049 52.029 52.037 0.070 0.000 0.851 241 A CB -0.114 18.859 19.000 -0.045 0.000 1.118 241 A HN 0.955 nan 8.150 nan 0.000 0.525 242 T N -0.651 113.997 114.554 0.157 0.000 3.004 242 T HA 0.528 4.877 4.350 -0.000 0.000 0.266 242 T C 0.681 175.466 174.700 0.141 0.000 0.986 242 T CA 0.580 62.755 62.100 0.125 0.000 0.902 242 T CB -0.022 68.909 68.868 0.105 0.000 1.118 242 T HN 1.033 nan 8.240 nan 0.000 0.522 243 A N 2.652 125.573 122.820 0.167 0.000 2.264 243 A HA 0.552 4.872 4.320 -0.000 0.000 0.304 243 A C 0.056 177.758 177.584 0.196 0.000 1.100 243 A CA -0.763 51.373 52.037 0.164 0.000 0.839 243 A CB 0.291 19.360 19.000 0.114 0.000 1.121 243 A HN 0.573 nan 8.150 nan 0.000 0.496 244 D N 0.720 121.249 120.400 0.214 0.000 2.383 244 D HA 0.080 4.720 4.640 -0.000 0.000 0.252 244 D C -0.729 175.664 176.300 0.154 0.000 1.166 244 D CA 0.052 54.163 54.000 0.186 0.000 0.879 244 D CB 1.189 42.093 40.800 0.175 0.000 1.164 244 D HN 0.533 nan 8.370 nan 0.000 0.462 245 D N 0.078 120.564 120.400 0.144 0.000 2.441 245 D HA 0.040 4.679 4.640 -0.000 0.000 0.210 245 D C -0.302 176.006 176.300 0.013 0.000 1.102 245 D CA -0.277 53.859 54.000 0.227 0.000 0.840 245 D CB 0.417 41.392 40.800 0.291 0.000 0.990 245 D HN 0.172 nan 8.370 nan 0.000 0.505 246 S N -0.842 114.796 115.700 -0.103 0.000 2.564 246 S HA 0.866 5.336 4.470 -0.000 0.000 0.274 246 S C -1.197 173.169 174.600 -0.391 0.000 1.124 246 S CA -0.516 57.517 58.200 -0.280 0.000 0.869 246 S CB 2.190 65.281 63.200 -0.182 0.000 1.105 246 S HN 0.482 nan 8.310 nan 0.000 0.472 247 A N 1.330 123.720 122.820 -0.717 0.000 2.605 247 A HA 0.749 5.069 4.320 -0.000 0.000 0.294 247 A C -2.453 174.593 177.584 -0.897 0.000 1.062 247 A CA -0.753 50.905 52.037 -0.631 0.000 0.682 247 A CB 0.984 19.772 19.000 -0.353 0.000 1.278 247 A HN 0.753 nan 8.150 nan 0.000 0.410 248 Y N 0.230 120.396 120.300 -0.224 0.000 2.322 248 Y HA 0.644 5.194 4.550 -0.000 0.000 0.324 248 Y C 0.335 176.081 175.900 -0.256 0.000 1.027 248 Y CA -0.350 57.649 58.100 -0.169 0.000 1.179 248 Y CB 2.119 40.539 38.460 -0.066 0.000 1.136 248 Y HN 1.019 nan 8.280 nan 0.000 0.449 249 A N 1.991 124.590 122.820 -0.369 0.000 2.355 249 A HA 0.871 5.190 4.320 -0.000 0.000 0.317 249 A C -0.574 176.572 177.584 -0.729 0.000 1.094 249 A CA -0.735 50.956 52.037 -0.577 0.000 0.764 249 A CB 0.996 19.597 19.000 -0.664 0.000 1.230 249 A HN 0.558 nan 8.150 nan 0.000 0.448 250 T N 1.994 116.180 114.554 -0.613 0.000 2.797 250 T HA 0.647 4.997 4.350 -0.000 0.000 0.279 250 T C -0.987 173.417 174.700 -0.493 0.000 0.991 250 T CA 0.111 62.032 62.100 -0.298 0.000 0.979 250 T CB 0.330 69.211 68.868 0.022 0.000 0.943 250 T HN 0.344 nan 8.240 nan 0.000 0.444 251 F N 1.496 121.538 119.950 0.152 0.000 2.507 251 F HA 0.424 4.950 4.527 -0.000 0.000 0.325 251 F C 0.601 176.567 175.800 0.277 0.000 1.116 251 F CA -1.094 57.044 58.000 0.229 0.000 0.930 251 F CB 1.738 40.803 39.000 0.108 0.000 1.146 251 F HN 0.329 nan 8.300 nan 0.000 0.447 252 Q N 4.085 124.174 119.800 0.483 0.000 2.303 252 Q HA 0.615 4.955 4.340 -0.000 0.000 0.257 252 Q C -0.953 175.153 176.000 0.177 0.000 0.941 252 Q CA -0.479 55.453 55.803 0.215 0.000 0.931 252 Q CB 1.788 30.528 28.738 0.004 0.000 1.215 252 Q HN 0.578 nan 8.270 nan 0.000 0.437 253 L N 0.921 122.215 121.223 0.119 0.000 2.313 253 L HA 0.470 4.809 4.340 -0.000 0.000 0.268 253 L C 0.353 177.253 176.870 0.049 0.000 1.010 253 L CA -1.044 53.850 54.840 0.089 0.000 0.814 253 L CB 1.200 43.312 42.059 0.090 0.000 1.304 253 L HN 0.556 nan 8.230 nan 0.000 0.441 254 E N 0.324 120.549 120.200 0.043 0.000 2.438 254 E HA 0.128 4.477 4.350 -0.000 0.000 0.261 254 E C 0.906 177.517 176.600 0.018 0.000 1.103 254 E CA 1.216 57.631 56.400 0.025 0.000 0.959 254 E CB 0.347 30.061 29.700 0.024 0.000 0.958 254 E HN 0.839 nan 8.360 nan 0.000 0.447 255 G N 1.436 110.240 108.800 0.007 0.000 2.155 255 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.257 255 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.257 255 G C 0.782 175.677 174.900 -0.008 0.000 0.983 255 G CA 0.454 45.554 45.100 0.000 0.000 0.676 255 G HN 1.343 nan 8.290 nan 0.000 0.528 256 G N -2.667 106.126 108.800 -0.010 0.000 2.137 256 G HA2 0.036 3.996 3.960 -0.000 0.000 0.237 256 G HA3 0.036 3.996 3.960 -0.000 0.000 0.237 256 G C 0.254 175.143 174.900 -0.019 0.000 1.002 256 G CA 0.534 45.622 45.100 -0.020 0.000 0.702 256 G HN 1.626 nan 8.290 nan 0.000 0.515 257 V N 1.319 121.228 119.914 -0.008 0.000 2.427 257 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 257 V C 0.744 176.845 176.094 0.011 0.000 1.034 257 V CA -0.682 61.607 62.300 -0.017 0.000 0.893 257 V CB 1.768 33.576 31.823 -0.025 0.000 0.982 257 V HN 0.299 nan 8.190 nan 0.000 0.452 258 I N 3.930 124.506 120.570 0.009 0.000 2.377 258 I HA 0.702 4.872 4.170 -0.000 0.000 0.293 258 I C 0.233 176.388 176.117 0.063 0.000 0.987 258 I CA -0.413 60.929 61.300 0.070 0.000 1.185 258 I CB 1.787 39.833 38.000 0.076 0.000 1.341 258 I HN 0.688 nan 8.210 nan 0.000 0.455 259 A N 5.204 128.115 122.820 0.152 0.000 2.330 259 A HA 0.607 4.926 4.320 -0.000 0.000 0.313 259 A C -1.319 176.414 177.584 0.248 0.000 1.124 259 A CA -0.402 51.714 52.037 0.132 0.000 0.774 259 A CB 0.809 19.860 19.000 0.086 0.000 1.198 259 A HN 0.797 nan 8.150 nan 0.000 0.465 260 H N 1.475 120.586 119.070 0.068 0.000 2.495 260 H HA 0.753 5.308 4.556 -0.000 0.000 0.348 260 H C -1.239 174.067 175.328 -0.036 0.000 1.113 260 H CA -0.574 55.492 56.048 0.030 0.000 1.195 260 H CB 1.011 30.761 29.762 -0.020 0.000 1.521 260 H HN 0.524 nan 8.280 nan 0.000 0.509 261 I N 4.840 124.910 120.570 -0.835 0.000 2.468 261 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 261 I C -0.528 175.225 176.117 -0.606 0.000 1.039 261 I CA -0.918 60.022 61.300 -0.600 0.000 1.074 261 I CB 1.565 39.205 38.000 -0.600 0.000 1.228 261 I HN 0.604 nan 8.210 nan 0.000 0.436 265 W N 2.784 123.927 121.300 -0.261 0.000 3.290 265 W HA 0.307 4.967 4.660 -0.000 0.000 0.287 265 W C 0.848 177.007 176.519 -0.600 0.000 1.288 265 W CA -0.289 56.810 57.345 -0.410 0.000 1.725 265 W CB 0.627 29.960 29.460 -0.212 0.000 1.103 265 W HN 0.438 nan 8.180 nan 0.000 0.670 266 V N 0.034 119.715 119.914 -0.388 0.000 2.841 266 V HA 0.208 4.328 4.120 -0.000 0.000 0.363 266 V C 0.108 176.060 176.094 -0.236 0.000 1.330 266 V CA -0.153 61.718 62.300 -0.715 0.000 1.207 266 V CB 0.142 31.632 31.823 -0.555 0.000 1.318 266 V HN -0.129 nan 8.190 nan 0.000 0.603 267 T N 0.851 115.379 114.554 -0.043 0.000 2.908 267 T HA 0.645 4.995 4.350 -0.000 0.000 0.290 267 T C -0.325 174.534 174.700 0.265 0.000 1.034 267 T CA -0.434 61.751 62.100 0.142 0.000 1.010 267 T CB 2.008 70.883 68.868 0.012 0.000 1.068 267 T HN 0.428 nan 8.240 nan 0.000 0.481 268 R N 1.387 122.035 120.500 0.247 0.000 2.643 268 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 268 R C -0.924 175.462 176.300 0.143 0.000 0.995 268 R CA -0.791 55.427 56.100 0.197 0.000 1.032 268 R CB 1.559 31.935 30.300 0.127 0.000 1.126 268 R HN 0.376 nan 8.270 nan 0.000 0.505 269 V N 3.127 123.120 119.914 0.132 0.000 2.334 269 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 269 V C -0.999 175.179 176.094 0.141 0.000 1.040 269 V CA -0.248 62.115 62.300 0.105 0.000 0.866 269 V CB 0.522 32.383 31.823 0.063 0.000 1.019 269 V HN 0.629 nan 8.190 nan 0.000 0.468 270 Y N 7.570 127.874 120.300 0.006 0.000 2.638 270 Y HA 0.598 5.148 4.550 -0.000 0.000 0.367 270 Y C 0.370 176.269 175.900 -0.001 0.000 1.001 270 Y CA -0.763 57.338 58.100 0.003 0.000 1.133 270 Y CB 0.048 38.520 38.460 0.020 0.000 1.199 270 Y HN 0.778 nan 8.280 nan 0.000 0.642 271 R N -0.851 119.557 120.500 -0.153 0.000 2.835 271 R HA 0.334 4.674 4.340 -0.000 0.000 0.271 271 R C -0.662 175.541 176.300 -0.161 0.000 1.013 271 R CA -0.810 55.211 56.100 -0.133 0.000 0.876 271 R CB 0.390 30.665 30.300 -0.042 0.000 1.348 271 R HN 0.022 nan 8.270 nan 0.000 0.453 272 D N -0.452 119.872 120.400 -0.127 0.000 2.224 272 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 272 D C -0.411 175.844 176.300 -0.075 0.000 0.965 272 D CA 1.601 55.532 54.000 -0.115 0.000 0.852 272 D CB 0.155 40.900 40.800 -0.091 0.000 0.947 272 D HN 0.308 nan 8.370 nan 0.000 0.494 273 D N -2.166 118.202 120.400 -0.054 0.000 2.692 273 D HA 0.165 4.804 4.640 -0.000 0.000 0.303 273 D C 0.595 176.879 176.300 -0.027 0.000 1.278 273 D CA -0.566 53.416 54.000 -0.031 0.000 0.852 273 D CB 0.704 41.504 40.800 -0.000 0.000 1.375 273 D HN -0.222 nan 8.370 nan 0.000 0.453 274 L N 0.153 121.364 121.223 -0.020 0.000 2.456 274 L HA 0.119 4.459 4.340 -0.000 0.000 0.224 274 L C 1.032 177.895 176.870 -0.012 0.000 1.148 274 L CA 0.627 55.448 54.840 -0.033 0.000 0.825 274 L CB 0.036 42.057 42.059 -0.063 0.000 0.937 274 L HN 0.022 nan 8.230 nan 0.000 0.450 275 V N -1.652 118.311 119.914 0.082 0.000 3.049 275 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 275 V C -1.085 175.028 176.094 0.032 0.000 1.148 275 V CA -0.244 62.126 62.300 0.117 0.000 0.990 275 V CB 2.717 34.779 31.823 0.399 0.000 1.039 275 V HN -0.062 nan 8.190 nan 0.000 0.430 276 T N 5.042 119.529 114.554 -0.113 0.000 2.971 276 T HA 0.642 4.992 4.350 -0.000 0.000 0.304 276 T C -1.712 172.807 174.700 -0.303 0.000 1.038 276 T CA -0.046 61.991 62.100 -0.104 0.000 1.007 276 T CB 0.984 69.797 68.868 -0.091 0.000 1.055 276 T HN 0.424 nan 8.240 nan 0.000 0.451 277 F N 2.760 122.721 119.950 0.019 0.000 2.445 277 F HA 0.455 4.982 4.527 -0.000 0.000 0.348 277 F C 0.373 176.191 175.800 0.029 0.000 1.125 277 F CA -0.753 57.255 58.000 0.014 0.000 0.983 277 F CB 1.926 40.974 39.000 0.079 0.000 1.198 277 F HN 0.364 nan 8.300 nan 0.000 0.436 278 Q N 3.065 122.939 119.800 0.123 0.000 2.243 278 Q HA 0.667 5.007 4.340 -0.000 0.000 0.252 278 Q C -1.443 174.608 176.000 0.085 0.000 0.909 278 Q CA -0.604 55.271 55.803 0.120 0.000 0.922 278 Q CB 1.554 30.330 28.738 0.063 0.000 1.215 278 Q HN 0.509 nan 8.270 nan 0.000 0.427 279 V N 3.921 123.911 119.914 0.126 0.000 2.407 279 V HA 0.292 4.412 4.120 -0.000 0.000 0.291 279 V C -0.844 175.288 176.094 0.064 0.000 1.018 279 V CA -0.933 61.317 62.300 -0.083 0.000 0.842 279 V CB 1.613 33.235 31.823 -0.335 0.000 0.996 279 V HN 0.774 nan 8.190 nan 0.000 0.426 280 D N 4.147 124.541 120.400 -0.010 0.000 2.317 280 D HA 0.575 5.215 4.640 -0.000 0.000 0.234 280 D C 0.318 176.627 176.300 0.014 0.000 1.112 280 D CA 0.324 54.372 54.000 0.079 0.000 0.840 280 D CB 2.471 43.307 40.800 0.061 0.000 1.078 280 D HN 0.743 nan 8.370 nan 0.000 0.486 281 G N 0.571 109.451 108.800 0.133 0.000 2.685 281 G HA2 0.270 4.229 3.960 -0.000 0.000 0.298 281 G HA3 0.270 4.229 3.960 -0.000 0.000 0.298 281 G C 0.916 175.843 174.900 0.045 0.000 1.277 281 G CA -0.285 44.870 45.100 0.092 0.000 0.986 281 G HN 0.254 nan 8.290 nan 0.000 0.487 282 T N -0.241 114.291 114.554 -0.036 0.000 2.720 282 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 282 T C 1.636 176.367 174.700 0.053 0.000 1.037 282 T CA 1.579 63.644 62.100 -0.059 0.000 1.144 282 T CB -0.206 68.544 68.868 -0.198 0.000 0.864 282 T HN 0.464 nan 8.240 nan 0.000 0.444 283 H N -0.618 118.380 119.070 -0.119 0.000 2.705 283 H HA 0.531 5.087 4.556 -0.000 0.000 0.269 283 H C 0.941 176.007 175.328 -0.436 0.000 0.998 283 H CA 0.253 56.154 56.048 -0.244 0.000 1.193 283 H CB 0.481 30.075 29.762 -0.280 0.000 1.485 283 H HN 0.456 nan 8.280 nan 0.000 0.521 284 G N -1.099 107.549 108.800 -0.252 0.000 2.328 284 G HA2 0.391 4.351 3.960 -0.000 0.000 0.295 284 G HA3 0.391 4.351 3.960 -0.000 0.000 0.295 284 G C -1.285 173.732 174.900 0.194 0.000 1.413 284 G CA -0.567 44.330 45.100 -0.339 0.000 0.817 284 G HN 0.070 nan 8.290 nan 0.000 0.546 285 S N -1.394 114.574 115.700 0.446 0.000 2.632 285 S HA 0.967 5.437 4.470 -0.000 0.000 0.289 285 S C -0.244 174.877 174.600 0.869 0.000 1.115 285 S CA 0.046 58.654 58.200 0.680 0.000 0.889 285 S CB 1.848 65.338 63.200 0.484 0.000 1.116 285 S HN 1.940 nan 8.310 nan 0.000 0.486 286 A N 0.958 124.298 122.820 0.868 0.000 2.539 286 A HA 0.828 5.147 4.320 -0.000 0.000 0.296 286 A C -1.685 176.169 177.584 0.450 0.000 1.073 286 A CA -0.615 51.815 52.037 0.655 0.000 0.700 286 A CB 1.412 20.730 19.000 0.529 0.000 1.296 286 A HN 0.616 nan 8.150 nan 0.000 0.405 287 V N 1.143 121.206 119.914 0.248 0.000 2.482 287 V HA 0.696 4.815 4.120 -0.000 0.000 0.295 287 V C 0.233 176.384 176.094 0.096 0.000 1.026 287 V CA -0.147 62.197 62.300 0.074 0.000 0.856 287 V CB 1.214 32.918 31.823 -0.198 0.000 1.001 287 V HN 1.429 nan 8.190 nan 0.000 0.424 288 A N 3.505 126.416 122.820 0.152 0.000 2.340 288 A HA 0.990 5.310 4.320 -0.000 0.000 0.331 288 A C 0.404 178.063 177.584 0.125 0.000 1.140 288 A CA 0.141 52.265 52.037 0.145 0.000 0.801 288 A CB 1.708 20.824 19.000 0.194 0.000 1.234 288 A HN 0.985 nan 8.150 nan 0.000 0.469 289 G N -0.575 108.276 108.800 0.085 0.000 3.008 289 G HA2 0.462 4.422 3.960 -0.000 0.000 0.181 289 G HA3 0.462 4.422 3.960 -0.000 0.000 0.181 289 G C 0.386 175.341 174.900 0.092 0.000 1.309 289 G CA -0.425 44.721 45.100 0.077 0.000 1.009 289 G HN 0.466 nan 8.290 nan 0.000 0.584 290 L N -0.295 120.970 121.223 0.071 0.000 2.056 290 L HA 0.089 4.428 4.340 -0.000 0.000 0.207 290 L C 2.811 179.684 176.870 0.005 0.000 1.078 290 L CA 1.973 56.851 54.840 0.063 0.000 0.749 290 L CB -0.215 41.883 42.059 0.064 0.000 0.901 290 L HN 0.405 nan 8.230 nan 0.000 0.433 291 S N -2.589 113.106 115.700 -0.009 0.000 2.599 291 S HA 0.159 4.629 4.470 -0.000 0.000 0.236 291 S C 0.303 174.874 174.600 -0.049 0.000 1.077 291 S CA -0.306 57.864 58.200 -0.050 0.000 0.906 291 S CB 0.597 63.788 63.200 -0.016 0.000 0.804 291 S HN 0.272 nan 8.310 nan 0.000 0.497 292 D N -0.094 120.302 120.400 -0.008 0.000 2.299 292 D HA 0.550 5.190 4.640 -0.000 0.000 0.243 292 D C -0.771 175.548 176.300 0.031 0.000 0.982 292 D CA -0.212 53.795 54.000 0.011 0.000 0.924 292 D CB 2.216 43.025 40.800 0.016 0.000 1.238 292 D HN 0.187 nan 8.370 nan 0.000 0.484 296 Q N 3.873 123.718 119.800 0.075 0.000 2.397 296 Q HA 0.765 5.105 4.340 -0.000 0.000 0.260 296 Q C -0.622 175.390 176.000 0.020 0.000 1.002 296 Q CA -0.578 55.063 55.803 -0.270 0.000 0.716 296 Q CB 1.897 29.914 28.738 -1.202 0.000 1.258 296 Q HN 1.087 nan 8.270 nan 0.000 0.477 297 A N 2.846 125.748 122.820 0.136 0.000 2.507 297 A HA 0.028 4.348 4.320 -0.000 0.000 0.235 297 A C 1.113 178.632 177.584 -0.110 0.000 1.070 297 A CA 0.343 52.371 52.037 -0.015 0.000 0.768 297 A CB 0.306 19.327 19.000 0.034 0.000 1.011 297 A HN 1.063 nan 8.150 nan 0.000 0.502 298 R N 0.311 120.719 120.500 -0.153 0.000 2.127 298 R HA -0.219 4.120 4.340 -0.000 0.000 0.238 298 R C 1.157 177.405 176.300 -0.086 0.000 1.134 298 R CA 2.081 58.117 56.100 -0.106 0.000 0.975 298 R CB -0.358 29.893 30.300 -0.083 0.000 0.865 298 R HN 0.703 nan 8.270 nan 0.000 0.447 299 Q N 0.525 120.273 119.800 -0.086 0.000 2.364 299 Q HA 0.104 4.444 4.340 -0.000 0.000 0.207 299 Q C 1.702 177.673 176.000 -0.050 0.000 0.970 299 Q CA 1.571 57.337 55.803 -0.063 0.000 0.888 299 Q CB 0.223 28.926 28.738 -0.059 0.000 0.951 299 Q HN 0.582 nan 8.270 nan 0.000 0.469 300 A N -0.455 122.329 122.820 -0.061 0.000 2.308 300 A HA 0.135 4.454 4.320 -0.000 0.000 0.217 300 A C 0.492 178.029 177.584 -0.079 0.000 1.216 300 A CA -0.130 51.871 52.037 -0.059 0.000 0.864 300 A CB 0.152 19.114 19.000 -0.063 0.000 0.902 300 A HN 0.128 nan 8.150 nan 0.000 0.499 301 T N 3.877 118.381 114.554 -0.084 0.000 2.834 301 T HA 0.372 4.721 4.350 -0.000 0.000 0.298 301 T C -1.876 172.809 174.700 -0.026 0.000 0.966 301 T CA -0.538 61.517 62.100 -0.075 0.000 1.141 301 T CB 0.913 69.741 68.868 -0.067 0.000 0.905 301 T HN 0.362 nan 8.240 nan 0.000 0.535 302 P HA 0.348 nan 4.420 nan 0.000 0.293 302 P C -0.575 176.730 177.300 0.007 0.000 1.304 302 P CA -0.852 62.253 63.100 0.008 0.000 0.767 302 P CB 0.938 32.647 31.700 0.014 0.000 1.247 303 R N 0.816 121.308 120.500 -0.012 0.000 2.564 303 R HA 0.323 4.663 4.340 -0.000 0.000 0.282 303 R C -2.090 174.206 176.300 -0.006 0.000 1.573 303 R CA -1.370 54.731 56.100 0.001 0.000 1.588 303 R CB -0.016 30.284 30.300 -0.000 0.000 1.154 303 R HN 0.411 nan 8.270 nan 0.000 0.606 304 P HA 0.164 nan 4.420 nan 0.000 0.277 304 P C -0.855 176.488 177.300 0.070 0.000 1.240 304 P CA -0.445 62.681 63.100 0.044 0.000 0.798 304 P CB 1.775 33.574 31.700 0.165 0.000 0.979 305 V N 2.843 122.798 119.914 0.069 0.000 2.769 305 V HA 0.309 4.429 4.120 -0.000 0.000 0.312 305 V C -0.677 175.506 176.094 0.148 0.000 1.061 305 V CA -1.094 61.271 62.300 0.108 0.000 0.931 305 V CB 2.077 33.947 31.823 0.078 0.000 1.010 305 V HN 0.671 nan 8.190 nan 0.000 0.433 306 W N 5.959 127.266 121.300 0.011 0.000 2.322 306 W HA 0.223 4.882 4.660 -0.000 0.000 0.328 306 W C -0.223 176.304 176.519 0.014 0.000 1.395 306 W CA 0.344 57.696 57.345 0.012 0.000 1.267 306 W CB 0.702 30.162 29.460 0.001 0.000 1.259 306 W HN 0.836 nan 8.180 nan 0.000 0.560 307 N N 5.475 123.916 118.700 -0.431 0.000 3.357 307 N HA 0.145 4.884 4.740 -0.000 0.000 0.206 307 N C -2.350 172.960 175.510 -0.332 0.000 1.458 307 N CA -0.688 52.215 53.050 -0.246 0.000 0.776 307 N CB 0.328 38.763 38.487 -0.088 0.000 1.626 307 N HN 0.127 nan 8.380 nan 0.000 0.644 314 H N 2.736 121.733 119.070 -0.122 0.000 2.815 314 H HA 0.320 4.876 4.556 -0.000 0.000 0.350 314 H C -0.749 174.407 175.328 -0.287 0.000 1.080 314 H CA 0.559 56.444 56.048 -0.271 0.000 1.433 314 H CB 0.791 30.259 29.762 -0.489 0.000 1.432 314 H HN 0.271 nan 8.280 nan 0.000 0.592 315 D N 4.582 124.606 120.400 -0.627 0.000 2.479 315 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 315 D C 0.091 176.231 176.300 -0.266 0.000 1.131 315 D CA -0.254 53.585 54.000 -0.268 0.000 0.916 315 D CB -0.381 40.345 40.800 -0.123 0.000 1.022 315 D HN 0.518 nan 8.370 nan 0.000 0.515 316 F N 1.692 121.693 119.950 0.085 0.000 2.216 316 F HA -0.154 4.372 4.527 -0.000 0.000 0.300 316 F C 1.420 177.321 175.800 0.168 0.000 1.085 316 F CA 0.780 58.876 58.000 0.160 0.000 1.326 316 F CB -0.451 38.585 39.000 0.060 0.000 1.027 316 F HN 0.448 nan 8.300 nan 0.000 0.497 317 Y N -0.121 120.378 120.300 0.333 0.000 2.274 317 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 317 Y C 2.547 178.603 175.900 0.260 0.000 1.145 317 Y CA 0.961 59.178 58.100 0.196 0.000 1.203 317 Y CB -1.333 37.158 38.460 0.052 0.000 0.984 317 Y HN 0.029 nan 8.280 nan 0.000 0.533 318 G N -0.699 108.288 108.800 0.311 0.000 2.679 318 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.212 318 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.212 318 G C 0.893 175.922 174.900 0.215 0.000 1.137 318 G CA 0.694 45.909 45.100 0.193 0.000 0.787 318 G HN 0.287 nan 8.290 nan 0.000 0.534 319 D N -0.555 120.046 120.400 0.335 0.000 2.339 319 D HA 0.095 4.734 4.640 -0.000 0.000 0.217 319 D C -0.015 176.337 176.300 0.087 0.000 1.050 319 D CA -0.053 54.059 54.000 0.187 0.000 0.856 319 D CB 0.281 41.182 40.800 0.168 0.000 0.922 319 D HN 0.341 nan 8.370 nan 0.000 0.518 320 W N 0.963 122.337 121.300 0.123 0.000 2.576 320 W HA 0.485 5.144 4.660 -0.000 0.000 0.360 320 W C 0.348 176.922 176.519 0.092 0.000 1.109 320 W CA -0.877 56.541 57.345 0.121 0.000 1.237 320 W CB 0.808 30.351 29.460 0.138 0.000 1.369 320 W HN -0.380 nan 8.180 nan 0.000 0.609 321 Q N 1.904 121.885 119.800 0.302 0.000 2.340 321 Q HA 0.329 4.668 4.340 -0.000 0.000 0.268 321 Q C -0.825 175.275 176.000 0.167 0.000 1.031 321 Q CA -0.930 54.981 55.803 0.181 0.000 0.804 321 Q CB 1.643 30.451 28.738 0.117 0.000 1.286 321 Q HN 0.410 nan 8.270 nan 0.000 0.448 322 K N 4.345 124.820 120.400 0.125 0.000 2.297 322 K HA 0.267 4.587 4.320 -0.000 0.000 0.286 322 K C -0.598 176.046 176.600 0.072 0.000 1.053 322 K CA -0.374 55.971 56.287 0.096 0.000 0.940 322 K CB 0.509 33.054 32.500 0.076 0.000 1.019 322 K HN 0.667 nan 8.250 nan 0.000 0.475 323 L N 6.935 128.196 121.223 0.063 0.000 2.490 323 L HA 0.119 4.459 4.340 -0.000 0.000 0.274 323 L C -1.570 175.334 176.870 0.056 0.000 1.201 323 L CA -1.532 53.341 54.840 0.054 0.000 0.869 323 L CB 0.154 42.247 42.059 0.057 0.000 1.123 323 L HN 0.645 nan 8.230 nan 0.000 0.484 324 P HA 0.059 nan 4.420 nan 0.000 0.272 324 P C -1.154 176.174 177.300 0.047 0.000 1.223 324 P CA -0.421 62.702 63.100 0.039 0.000 0.784 324 P CB 0.706 32.420 31.700 0.022 0.000 0.923 325 D N 2.569 123.004 120.400 0.058 0.000 2.365 325 D HA 0.075 4.715 4.640 -0.000 0.000 0.237 325 D C 0.664 176.951 176.300 -0.022 0.000 1.190 325 D CA -0.063 53.982 54.000 0.076 0.000 0.867 325 D CB 0.167 41.040 40.800 0.122 0.000 1.050 325 D HN 0.208 nan 8.370 nan 0.000 0.491 326 N N 0.625 119.278 118.700 -0.080 0.000 2.353 326 N HA 0.006 4.746 4.740 -0.000 0.000 0.185 326 N C 0.383 175.784 175.510 -0.181 0.000 1.098 326 N CA 0.204 53.179 53.050 -0.125 0.000 0.872 326 N CB 0.700 39.097 38.487 -0.151 0.000 0.970 326 N HN 0.362 nan 8.380 nan 0.000 0.467 327 V N -4.039 115.700 119.914 -0.292 0.000 3.158 327 V HA 0.613 4.733 4.120 -0.000 0.000 0.311 327 V C 0.039 175.861 176.094 -0.454 0.000 1.181 327 V CA -1.021 61.062 62.300 -0.363 0.000 1.054 327 V CB 1.727 33.287 31.823 -0.439 0.000 1.085 327 V HN -0.230 nan 8.190 nan 0.000 0.446 328 S N 0.925 116.425 115.700 -0.333 0.000 2.513 328 S HA 0.652 5.122 4.470 -0.000 0.000 0.276 328 S C -1.086 173.312 174.600 -0.336 0.000 1.254 328 S CA -0.079 57.969 58.200 -0.252 0.000 1.053 328 S CB 0.126 63.267 63.200 -0.099 0.000 0.958 328 S HN 0.584 nan 8.310 nan 0.000 0.491 329 Y N 1.903 122.219 120.300 0.027 0.000 2.326 329 Y HA 0.314 4.864 4.550 -0.000 0.000 0.337 329 Y C 0.646 176.577 175.900 0.052 0.000 1.023 329 Y CA -0.847 57.279 58.100 0.045 0.000 1.143 329 Y CB 0.623 39.112 38.460 0.049 0.000 1.183 329 Y HN 0.566 nan 8.280 nan 0.000 0.485 330 D N 1.114 121.634 120.400 0.200 0.000 2.387 330 D HA 0.033 4.673 4.640 -0.000 0.000 0.251 330 D C -0.058 176.335 176.300 0.155 0.000 1.141 330 D CA -0.517 53.569 54.000 0.143 0.000 0.987 330 D CB 0.527 41.388 40.800 0.103 0.000 1.116 330 D HN 0.453 nan 8.370 nan 0.000 0.491 331 N N 0.456 119.229 118.700 0.121 0.000 2.301 331 N HA -0.095 4.645 4.740 -0.000 0.000 0.267 331 N C 1.128 176.698 175.510 0.099 0.000 1.304 331 N CA 0.198 53.327 53.050 0.132 0.000 0.851 331 N CB 0.995 39.559 38.487 0.128 0.000 1.070 331 N HN 0.573 nan 8.380 nan 0.000 0.483 332 G N 3.865 112.700 108.800 0.059 0.000 2.442 332 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 332 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 332 G C 1.174 175.815 174.900 -0.431 0.000 1.141 332 G CA 0.586 45.605 45.100 -0.136 0.000 0.763 332 G HN 0.634 nan 8.290 nan 0.000 0.554 333 F N 0.784 120.661 119.950 -0.122 0.000 2.084 333 F HA 0.072 4.599 4.527 -0.000 0.000 0.296 333 F C 2.598 178.453 175.800 0.091 0.000 1.111 333 F CA 1.547 59.508 58.000 -0.066 0.000 1.224 333 F CB -0.350 38.586 39.000 -0.107 0.000 0.991 333 F HN 0.041 nan 8.300 nan 0.000 0.471 334 K N 0.657 121.215 120.400 0.264 0.000 2.059 334 K HA -0.311 4.009 4.320 -0.000 0.000 0.212 334 K C 2.131 178.804 176.600 0.121 0.000 1.050 334 K CA 2.151 58.542 56.287 0.175 0.000 0.927 334 K CB -0.326 32.222 32.500 0.079 0.000 0.714 334 K HN 0.337 nan 8.250 nan 0.000 0.447 335 E N 0.142 120.341 120.200 -0.002 0.000 2.077 335 E HA -0.263 4.086 4.350 -0.000 0.000 0.193 335 E C 2.180 178.710 176.600 -0.117 0.000 0.989 335 E CA 1.360 57.739 56.400 -0.035 0.000 0.800 335 E CB 0.031 29.734 29.700 0.005 0.000 0.746 335 E HN 0.418 nan 8.360 nan 0.000 0.452 336 Q N -0.641 118.911 119.800 -0.412 0.000 2.079 336 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 336 Q C 1.748 177.728 176.000 -0.032 0.000 0.974 336 Q CA 1.409 57.026 55.803 -0.309 0.000 0.840 336 Q CB -0.174 28.218 28.738 -0.577 0.000 0.898 336 Q HN 0.382 nan 8.270 nan 0.000 0.430 337 W N 1.832 123.071 121.300 -0.102 0.000 2.317 337 W HA -0.184 4.476 4.660 0.000 0.000 0.318 337 W C 1.025 177.500 176.519 -0.072 0.000 1.227 337 W CA 0.976 58.224 57.345 -0.161 0.000 1.269 337 W CB -0.080 29.318 29.460 -0.103 0.000 1.155 337 W HN 0.213 nan 8.180 nan 0.000 0.484 341 I N 1.578 122.083 120.570 -0.108 0.000 2.226 341 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 341 I C 2.273 178.377 176.117 -0.021 0.000 1.100 341 I CA 1.612 62.886 61.300 -0.043 0.000 1.374 341 I CB -0.367 37.712 38.000 0.133 0.000 1.057 341 I HN 0.154 nan 8.210 nan 0.000 0.413 342 R N -0.507 119.994 120.500 0.002 0.000 2.073 342 R HA -0.226 4.113 4.340 -0.000 0.000 0.234 342 R C 2.403 178.681 176.300 -0.036 0.000 1.134 342 R CA 1.702 57.817 56.100 0.026 0.000 0.952 342 R CB -0.703 29.635 30.300 0.063 0.000 0.850 342 R HN 0.397 nan 8.270 nan 0.000 0.433 343 H N 0.781 119.723 119.070 -0.213 0.000 2.353 343 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 343 H C 1.752 176.823 175.328 -0.428 0.000 1.103 343 H CA 1.888 57.754 56.048 -0.303 0.000 1.293 343 H CB -0.161 29.323 29.762 -0.462 0.000 1.372 343 H HN -0.063 nan 8.280 nan 0.000 0.501 344 V N -0.597 118.856 119.914 -0.769 0.000 2.453 344 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 344 V C 1.616 177.279 176.094 -0.717 0.000 1.048 344 V CA 1.878 63.592 62.300 -0.977 0.000 1.049 344 V CB -0.573 30.585 31.823 -1.109 0.000 0.672 344 V HN 0.478 nan 8.190 nan 0.000 0.457 345 Y N 0.181 120.302 120.300 -0.298 0.000 2.449 345 Y HA 0.152 4.702 4.550 -0.000 0.000 0.254 345 Y C 1.604 177.431 175.900 -0.122 0.000 1.140 345 Y CA 0.563 58.561 58.100 -0.169 0.000 1.272 345 Y CB 0.635 39.024 38.460 -0.118 0.000 1.114 345 Y HN 0.476 nan 8.280 nan 0.000 0.525 346 E N -1.676 118.513 120.200 -0.018 0.000 3.068 346 E HA 0.112 4.461 4.350 -0.000 0.000 0.156 346 E C -0.712 175.873 176.600 -0.026 0.000 0.914 346 E CA 0.038 56.434 56.400 -0.007 0.000 1.393 346 E CB -0.367 29.348 29.700 0.026 0.000 1.016 346 E HN 0.069 nan 8.360 nan 0.000 0.434 347 D N 0.732 121.083 120.400 -0.082 0.000 2.837 347 D HA -0.198 4.442 4.640 -0.000 0.000 0.230 347 D C 0.054 176.390 176.300 0.060 0.000 1.152 347 D CA 1.138 55.114 54.000 -0.039 0.000 0.736 347 D CB -1.069 39.717 40.800 -0.023 0.000 1.084 347 D HN 0.656 nan 8.370 nan 0.000 0.429 348 A N 0.034 122.905 122.820 0.085 0.000 2.520 348 A HA 0.414 4.734 4.320 -0.000 0.000 0.235 348 A C -1.859 175.830 177.584 0.175 0.000 1.065 348 A CA -0.645 51.465 52.037 0.121 0.000 0.764 348 A CB 0.307 19.380 19.000 0.121 0.000 1.002 348 A HN 0.020 nan 8.150 nan 0.000 0.502 349 P HA 0.175 nan 4.420 nan 0.000 0.265 349 P C -1.118 176.225 177.300 0.071 0.000 1.193 349 P CA 0.850 63.988 63.100 0.063 0.000 0.765 349 P CB 0.069 31.781 31.700 0.020 0.000 0.823 350 Y N 2.268 122.423 120.300 -0.241 0.000 2.301 350 Y HA 0.228 4.778 4.550 -0.000 0.000 0.325 350 Y C 1.014 176.682 175.900 -0.387 0.000 1.103 350 Y CA -0.550 57.335 58.100 -0.358 0.000 1.182 350 Y CB 1.378 39.384 38.460 -0.757 0.000 1.139 350 Y HN 0.241 nan 8.280 nan 0.000 0.443 351 K N 3.361 123.263 120.400 -0.830 0.000 2.217 351 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 351 K C -0.020 176.082 176.600 -0.829 0.000 1.051 351 K CA 0.979 56.768 56.287 -0.829 0.000 0.952 351 K CB 0.056 31.958 32.500 -0.997 0.000 0.736 351 K HN 0.507 nan 8.250 nan 0.000 0.453 352 F N 2.205 121.614 119.950 -0.901 0.000 2.913 352 F HA 0.058 4.585 4.527 -0.000 0.000 0.293 352 F C 0.848 176.536 175.800 -0.187 0.000 1.223 352 F CA -0.214 57.424 58.000 -0.602 0.000 1.393 352 F CB -0.929 37.700 39.000 -0.619 0.000 1.102 352 F HN -0.067 nan 8.300 nan 0.000 0.524 353 T N -3.125 111.457 114.554 0.047 0.000 2.726 353 T HA 0.183 4.533 4.350 -0.000 0.000 0.294 353 T C 1.545 176.381 174.700 0.226 0.000 1.013 353 T CA -0.576 61.617 62.100 0.155 0.000 0.996 353 T CB 0.796 69.646 68.868 -0.029 0.000 1.016 353 T HN 0.301 nan 8.240 nan 0.000 0.529 354 L N 0.443 121.929 121.223 0.438 0.000 2.187 354 L HA -0.028 4.311 4.340 -0.000 0.000 0.213 354 L C 2.577 179.560 176.870 0.188 0.000 1.100 354 L CA 0.733 55.743 54.840 0.283 0.000 0.765 354 L CB -0.807 41.397 42.059 0.242 0.000 0.904 354 L HN 0.613 nan 8.230 nan 0.000 0.437 355 L N -0.074 121.282 121.223 0.223 0.000 2.013 355 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 355 L C 2.581 179.527 176.870 0.126 0.000 1.073 355 L CA 1.881 56.815 54.840 0.157 0.000 0.753 355 L CB -0.597 41.551 42.059 0.148 0.000 0.890 355 L HN 0.200 nan 8.230 nan 0.000 0.432 356 E N -0.075 120.189 120.200 0.107 0.000 2.085 356 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 356 E C 2.138 178.793 176.600 0.092 0.000 0.994 356 E CA 1.252 57.708 56.400 0.093 0.000 0.801 356 E CB -0.866 28.889 29.700 0.090 0.000 0.743 356 E HN 0.661 nan 8.360 nan 0.000 0.453 357 G N 1.247 110.093 108.800 0.076 0.000 2.446 357 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 357 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 357 G C 1.766 176.714 174.900 0.080 0.000 1.168 357 G CA 1.627 46.756 45.100 0.049 0.000 0.771 357 G HN 0.411 nan 8.290 nan 0.000 0.551 358 A N 0.893 123.785 122.820 0.121 0.000 1.908 358 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 358 A C 2.301 180.015 177.584 0.217 0.000 1.181 358 A CA 2.110 54.270 52.037 0.205 0.000 0.627 358 A CB -0.435 18.696 19.000 0.218 0.000 0.818 358 A HN 0.396 nan 8.150 nan 0.000 0.445 359 K N -0.767 119.720 120.400 0.146 0.000 2.113 359 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 359 K C 2.089 178.698 176.600 0.014 0.000 1.047 359 K CA 1.189 57.515 56.287 0.066 0.000 0.928 359 K CB -0.498 32.045 32.500 0.071 0.000 0.716 359 K HN 0.498 nan 8.250 nan 0.000 0.446 360 G N 0.749 109.576 108.800 0.045 0.000 2.421 360 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 360 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 360 G C 1.542 176.435 174.900 -0.013 0.000 1.171 360 G CA 0.828 45.938 45.100 0.017 0.000 0.775 360 G HN 0.124 nan 8.290 nan 0.000 0.543 361 V N 0.776 120.699 119.914 0.015 0.000 2.515 361 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 361 V C 2.728 178.781 176.094 -0.068 0.000 1.058 361 V CA 2.172 64.487 62.300 0.023 0.000 1.064 361 V CB -0.352 31.540 31.823 0.116 0.000 0.675 361 V HN 0.560 nan 8.190 nan 0.000 0.461 362 Q N -0.268 119.379 119.800 -0.255 0.000 2.050 362 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 362 Q C 2.284 178.125 176.000 -0.265 0.000 0.980 362 Q CA 1.935 57.364 55.803 -0.622 0.000 0.840 362 Q CB -0.221 27.887 28.738 -1.049 0.000 0.898 362 Q HN 0.514 nan 8.270 nan 0.000 0.424 363 L N 0.864 122.012 121.223 -0.125 0.000 2.083 363 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 363 L C 2.257 179.149 176.870 0.037 0.000 1.083 363 L CA 2.117 56.956 54.840 -0.002 0.000 0.752 363 L CB -0.959 41.133 42.059 0.056 0.000 0.899 363 L HN 0.324 nan 8.230 nan 0.000 0.433 364 A N -0.957 121.870 122.820 0.012 0.000 1.858 364 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 364 A C 2.205 179.816 177.584 0.044 0.000 1.190 364 A CA 1.803 53.863 52.037 0.038 0.000 0.617 364 A CB -0.639 18.373 19.000 0.020 0.000 0.827 364 A HN 0.557 nan 8.150 nan 0.000 0.443 365 E N -0.775 119.433 120.200 0.014 0.000 2.085 365 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 365 E C 2.153 178.768 176.600 0.025 0.000 0.994 365 E CA 1.392 57.806 56.400 0.022 0.000 0.801 365 E CB -0.376 29.329 29.700 0.007 0.000 0.743 365 E HN 0.692 nan 8.360 nan 0.000 0.453 366 C N 0.577 119.878 119.300 0.002 0.000 2.413 366 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 366 C C 2.910 177.931 174.990 0.052 0.000 1.236 366 C CA 0.896 59.931 59.018 0.027 0.000 1.735 366 C CB -1.040 26.717 27.740 0.028 0.000 2.031 366 C HN 0.524 nan 8.230 nan 0.000 0.474 367 A N 0.468 123.326 122.820 0.064 0.000 1.877 367 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 367 A C 2.081 179.733 177.584 0.114 0.000 1.186 367 A CA 1.637 53.709 52.037 0.058 0.000 0.620 367 A CB -0.674 18.370 19.000 0.073 0.000 0.822 367 A HN 0.611 nan 8.150 nan 0.000 0.443 368 L N -0.749 120.561 121.223 0.145 0.000 2.083 368 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 368 L C 2.592 179.549 176.870 0.143 0.000 1.083 368 L CA 1.864 56.832 54.840 0.214 0.000 0.752 368 L CB -0.399 41.752 42.059 0.153 0.000 0.899 368 L HN 0.432 nan 8.230 nan 0.000 0.433 369 K N -0.253 120.197 120.400 0.084 0.000 2.057 369 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 369 K C 2.455 179.095 176.600 0.068 0.000 1.049 369 K CA 1.533 57.851 56.287 0.052 0.000 0.931 369 K CB -0.072 32.454 32.500 0.044 0.000 0.714 369 K HN 0.175 nan 8.250 nan 0.000 0.440 370 S N 0.051 115.799 115.700 0.080 0.000 2.368 370 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 370 S C 1.721 176.391 174.600 0.117 0.000 1.030 370 S CA 1.119 59.351 58.200 0.053 0.000 0.999 370 S CB -0.469 62.716 63.200 -0.025 0.000 0.844 370 S HN 0.588 nan 8.310 nan 0.000 0.459 371 W N 2.317 123.580 121.300 -0.061 0.000 2.332 371 W HA -0.042 4.618 4.660 -0.000 0.000 0.321 371 W C 2.337 178.840 176.519 -0.028 0.000 1.219 371 W CA 1.781 59.099 57.345 -0.047 0.000 1.277 371 W CB -1.151 28.292 29.460 -0.028 0.000 1.161 371 W HN 0.323 nan 8.180 nan 0.000 0.476 372 K N -0.086 120.317 120.400 0.005 0.000 2.063 372 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 372 K C 1.741 178.309 176.600 -0.053 0.000 1.048 372 K CA 2.095 58.282 56.287 -0.168 0.000 0.928 372 K CB -0.287 32.117 32.500 -0.161 0.000 0.713 372 K HN 0.209 nan 8.250 nan 0.000 0.442 373 E N -0.099 120.104 120.200 0.006 0.000 2.474 373 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 373 E C -0.502 176.120 176.600 0.037 0.000 1.039 373 E CA -0.139 56.271 56.400 0.017 0.000 0.881 373 E CB 0.509 30.223 29.700 0.023 0.000 0.970 373 E HN 0.188 nan 8.360 nan 0.000 0.486 374 R N 0.688 121.223 120.500 0.057 0.000 3.651 374 R HA -0.190 4.150 4.340 -0.000 0.000 0.292 374 R C -0.136 176.185 176.300 0.035 0.000 1.161 374 R CA 0.926 57.060 56.100 0.057 0.000 0.787 374 R CB -2.179 28.152 30.300 0.051 0.000 1.249 374 R HN 0.382 nan 8.270 nan 0.000 0.476 375 R N -1.824 118.693 120.500 0.029 0.000 2.795 375 R HA 0.445 4.785 4.340 -0.000 0.000 0.268 375 R C -1.103 175.227 176.300 0.050 0.000 1.041 375 R CA -1.070 55.068 56.100 0.063 0.000 0.927 375 R CB 0.592 30.954 30.300 0.102 0.000 1.235 375 R HN -0.029 nan 8.270 nan 0.000 0.463 376 W N 0.899 122.205 121.300 0.010 0.000 2.190 376 W HA 0.352 5.012 4.660 -0.000 0.000 0.330 376 W C -0.093 176.434 176.519 0.014 0.000 1.299 376 W CA -0.154 57.194 57.345 0.005 0.000 1.215 376 W CB 0.676 30.136 29.460 0.001 0.000 1.147 376 W HN 0.229 nan 8.180 nan 0.000 0.563 377 I N 3.999 124.727 120.570 0.264 0.000 2.418 377 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 377 I C -0.212 176.013 176.117 0.180 0.000 1.008 377 I CA -1.172 60.229 61.300 0.169 0.000 1.104 377 I CB 0.983 39.042 38.000 0.099 0.000 1.264 377 I HN 0.329 nan 8.210 nan 0.000 0.438 378 D N 5.346 125.829 120.400 0.139 0.000 2.341 378 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 378 D C -0.115 176.238 176.300 0.088 0.000 1.106 378 D CA -0.139 53.930 54.000 0.114 0.000 0.905 378 D CB 2.433 43.279 40.800 0.077 0.000 1.202 378 D HN 0.091 nan 8.370 nan 0.000 0.426 379 V N 2.013 121.977 119.914 0.084 0.000 2.353 379 V HA 0.331 4.451 4.120 -0.000 0.000 0.264 379 V C 0.790 176.911 176.094 0.045 0.000 1.049 379 V CA -0.842 61.490 62.300 0.053 0.000 0.896 379 V CB 0.561 32.419 31.823 0.059 0.000 1.025 379 V HN 0.611 nan 8.190 nan 0.000 0.475 380 A N 8.210 131.055 122.820 0.042 0.000 2.425 380 A HA 0.607 4.927 4.320 -0.000 0.000 0.242 380 A C -1.899 175.722 177.584 0.063 0.000 1.077 380 A CA -0.837 51.234 52.037 0.056 0.000 0.781 380 A CB -0.229 18.814 19.000 0.072 0.000 1.020 380 A HN 0.688 nan 8.150 nan 0.000 0.494 381 P HA 0.275 nan 4.420 nan 0.000 0.274 381 P C -0.527 176.832 177.300 0.098 0.000 1.246 381 P CA -0.239 62.903 63.100 0.070 0.000 0.795 381 P CB 0.368 32.100 31.700 0.054 0.000 1.006 382 I N 1.069 121.704 120.570 0.108 0.000 2.213 382 I HA 0.078 4.247 4.170 -0.000 0.000 0.295 382 I C 0.402 176.569 176.117 0.084 0.000 1.172 382 I CA -0.402 60.977 61.300 0.132 0.000 1.443 382 I CB -0.983 37.115 38.000 0.163 0.000 1.491 382 I HN 0.424 nan 8.210 nan 0.000 0.652 383 K N 0.000 120.444 120.400 0.073 0.000 2.780 383 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 383 K CA 0.000 56.317 56.287 0.050 0.000 0.838 383 K CB 0.000 32.522 32.500 0.037 0.000 1.064 383 K HN 0.000 nan 8.250 nan 0.000 0.543