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_B 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 0.000 174.670 174.700 -0.051 0.000 1.109 3 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 3 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 4 T N 1.971 116.492 114.554 -0.055 0.000 3.050 4 T HA 0.632 4.982 4.350 0.000 0.000 0.310 4 T C -1.127 173.526 174.700 -0.079 0.000 0.978 4 T CA -0.580 61.478 62.100 -0.070 0.000 1.013 4 T CB 2.702 71.537 68.868 -0.054 0.000 1.000 4 T HN 0.245 nan 8.240 nan 0.000 0.447 5 Q N 1.631 121.359 119.800 -0.120 0.000 2.215 5 Q HA 0.492 4.832 4.340 0.000 0.000 0.256 5 Q C -0.357 175.569 176.000 -0.122 0.000 0.972 5 Q CA -1.057 54.668 55.803 -0.130 0.000 0.889 5 Q CB 1.433 30.048 28.738 -0.205 0.000 1.281 5 Q HN 0.444 nan 8.270 nan 0.000 0.456 6 R N 2.817 123.275 120.500 -0.071 0.000 2.229 6 R HA 0.296 4.636 4.340 0.000 0.000 0.328 6 R C -1.513 174.792 176.300 0.008 0.000 1.009 6 R CA -0.505 55.576 56.100 -0.032 0.000 0.864 6 R CB 0.460 30.758 30.300 -0.004 0.000 1.085 6 R HN 0.495 nan 8.270 nan 0.000 0.453 7 L N 4.183 125.417 121.223 0.018 0.000 2.295 7 L HA 0.453 4.793 4.340 0.000 0.000 0.281 7 L C -0.051 176.876 176.870 0.095 0.000 1.018 7 L CA -0.026 54.879 54.840 0.109 0.000 0.841 7 L CB 1.710 43.843 42.059 0.123 0.000 1.218 7 L HN 0.713 nan 8.230 nan 0.000 0.424 8 G N 5.510 114.380 108.800 0.116 0.000 2.821 8 G HA2 0.332 4.292 3.960 0.000 0.000 0.289 8 G HA3 0.332 4.292 3.960 0.000 0.000 0.289 8 G C -0.496 174.485 174.900 0.134 0.000 0.771 8 G CA -0.325 44.836 45.100 0.102 0.000 1.908 8 G HN 0.572 nan 8.290 nan 0.000 0.539 9 L N 4.226 125.519 121.223 0.117 0.000 2.281 9 L HA 0.650 4.990 4.340 0.000 0.000 0.285 9 L C 0.156 177.108 176.870 0.137 0.000 1.074 9 L CA -1.161 53.767 54.840 0.147 0.000 0.817 9 L CB 0.753 42.867 42.059 0.091 0.000 1.168 9 L HN 0.441 nan 8.230 nan 0.000 0.434 13 G N 0.754 109.571 108.800 0.028 0.000 2.141 13 G HA2 -0.204 3.756 3.960 0.000 0.000 0.242 13 G HA3 -0.204 3.756 3.960 0.000 0.000 0.242 13 G C 0.224 175.172 174.900 0.079 0.000 0.982 13 G CA 0.179 45.293 45.100 0.023 0.000 0.662 13 G HN 1.158 nan 8.290 nan 0.000 0.527 14 V N 0.973 120.956 119.914 0.115 0.000 1.956 14 V HA 0.620 4.740 4.120 0.000 0.000 0.248 14 V C 1.019 177.164 176.094 0.084 0.000 1.615 14 V CA 1.822 64.194 62.300 0.119 0.000 1.558 14 V CB -0.230 31.662 31.823 0.114 0.000 1.529 14 V HN 0.444 nan 8.190 nan 0.000 0.505 15 T N 1.756 116.354 114.554 0.073 0.000 3.491 15 T HA 0.219 4.569 4.350 0.000 0.000 0.284 15 T C 1.397 176.130 174.700 0.055 0.000 0.905 15 T CA 0.409 62.543 62.100 0.057 0.000 1.017 15 T CB -0.217 68.676 68.868 0.041 0.000 1.202 15 T HN 0.553 nan 8.240 nan 0.000 0.518 16 G N 2.391 111.225 108.800 0.055 0.000 2.942 16 G HA2 0.073 4.033 3.960 0.000 0.000 0.199 16 G HA3 0.073 4.033 3.960 0.000 0.000 0.199 16 G C 0.429 175.369 174.900 0.067 0.000 1.440 16 G CA 0.792 45.927 45.100 0.057 0.000 0.815 16 G HN 0.377 nan 8.290 nan 0.000 0.675 20 L N 1.190 122.473 121.223 0.100 0.000 2.127 20 L HA 0.444 4.785 4.340 0.000 0.000 0.203 20 L C 1.932 178.792 176.870 -0.017 0.000 1.080 20 L CA 2.456 57.327 54.840 0.052 0.000 0.768 20 L CB -0.546 41.546 42.059 0.056 0.000 0.924 20 L HN 0.183 nan 8.230 nan 0.000 0.444 21 N N -0.915 117.765 118.700 -0.034 0.000 2.135 21 N HA -0.131 4.609 4.740 0.000 0.000 0.186 21 N C 1.682 177.088 175.510 -0.174 0.000 1.027 21 N CA 1.415 54.413 53.050 -0.086 0.000 0.849 21 N CB -0.076 38.374 38.487 -0.062 0.000 1.002 21 N HN 0.363 nan 8.380 nan 0.000 0.425 22 Q N -0.213 119.413 119.800 -0.290 0.000 2.212 22 Q HA 0.009 4.349 4.340 0.000 0.000 0.199 22 Q C 1.378 177.110 176.000 -0.447 0.000 0.950 22 Q CA 1.165 56.627 55.803 -0.569 0.000 0.863 22 Q CB -0.098 27.808 28.738 -1.386 0.000 0.944 22 Q HN 0.631 nan 8.270 nan 0.000 0.465 23 H N -0.296 118.711 119.070 -0.105 0.000 2.337 23 H HA 0.077 4.633 4.556 0.000 0.000 0.311 23 H C 2.136 177.291 175.328 -0.289 0.000 1.054 23 H CA 0.438 56.453 56.048 -0.054 0.000 1.385 23 H CB -0.143 29.648 29.762 0.049 0.000 1.437 23 H HN 0.069 nan 8.280 nan 0.000 0.553 24 L N 1.070 122.209 121.223 -0.139 0.000 1.961 24 L HA -0.113 4.227 4.340 0.000 0.000 0.210 24 L C 2.368 179.005 176.870 -0.388 0.000 1.072 24 L CA 1.377 56.044 54.840 -0.288 0.000 0.749 24 L CB -0.629 41.283 42.059 -0.246 0.000 0.889 24 L HN 0.102 nan 8.230 nan 0.000 0.432 25 I N -1.160 119.187 120.570 -0.372 0.000 2.094 25 I HA -0.219 3.951 4.170 0.000 0.000 0.234 25 I C 2.544 178.517 176.117 -0.241 0.000 1.063 25 I CA 0.862 61.935 61.300 -0.378 0.000 1.328 25 I CB -0.495 37.349 38.000 -0.260 0.000 1.058 25 I HN 0.176 nan 8.210 nan 0.000 0.400 26 R N 0.835 121.227 120.500 -0.180 0.000 2.120 26 R HA -0.042 4.298 4.340 0.000 0.000 0.234 26 R C 2.235 178.470 176.300 -0.109 0.000 1.123 26 R CA 1.311 57.342 56.100 -0.114 0.000 0.975 26 R CB -0.719 29.529 30.300 -0.087 0.000 0.866 26 R HN 0.402 nan 8.270 nan 0.000 0.446 27 S N 0.326 115.921 115.700 -0.175 0.000 2.432 27 S HA 0.094 4.564 4.470 0.000 0.000 0.203 27 S C 2.035 176.429 174.600 -0.343 0.000 0.987 27 S CA -0.021 58.050 58.200 -0.215 0.000 0.908 27 S CB -0.249 62.787 63.200 -0.273 0.000 0.883 27 S HN -0.018 nan 8.310 nan 0.000 0.577 28 I N 2.048 122.313 120.570 -0.507 0.000 2.113 28 I HA -0.123 4.047 4.170 0.000 0.000 0.238 28 I C 2.337 178.269 176.117 -0.309 0.000 1.070 28 I CA 0.976 61.977 61.300 -0.498 0.000 1.332 28 I CB -0.585 37.063 38.000 -0.586 0.000 1.044 28 I HN 0.084 nan 8.210 nan 0.000 0.402 29 V N 0.773 120.512 119.914 -0.291 0.000 2.332 29 V HA -0.333 3.787 4.120 0.000 0.000 0.248 29 V C 2.640 178.649 176.094 -0.141 0.000 1.055 29 V CA 1.958 64.131 62.300 -0.210 0.000 1.038 29 V CB -1.292 30.365 31.823 -0.276 0.000 0.651 29 V HN 0.523 nan 8.190 nan 0.000 0.450 30 A N -0.018 122.716 122.820 -0.142 0.000 1.865 30 A HA -0.212 4.108 4.320 0.000 0.000 0.217 30 A C 2.188 179.720 177.584 -0.086 0.000 1.191 30 A CA 2.128 54.110 52.037 -0.091 0.000 0.623 30 A CB -0.601 18.353 19.000 -0.077 0.000 0.826 30 A HN 0.493 nan 8.150 nan 0.000 0.444 31 I N -1.153 119.346 120.570 -0.117 0.000 2.208 31 I HA -0.291 3.879 4.170 0.000 0.000 0.245 31 I C 2.719 178.778 176.117 -0.096 0.000 1.097 31 I CA 1.794 63.031 61.300 -0.106 0.000 1.363 31 I CB -0.280 37.635 38.000 -0.143 0.000 1.051 31 I HN 0.363 nan 8.210 nan 0.000 0.413 32 R N 1.055 121.487 120.500 -0.113 0.000 2.080 32 R HA -0.198 4.142 4.340 0.000 0.000 0.236 32 R C 1.288 177.555 176.300 -0.056 0.000 1.137 32 R CA 1.983 58.032 56.100 -0.085 0.000 0.943 32 R CB -0.150 30.097 30.300 -0.088 0.000 0.846 32 R HN 0.276 nan 8.270 nan 0.000 0.431 33 D N 0.007 120.378 120.400 -0.049 0.000 2.338 33 D HA -0.062 4.578 4.640 0.000 0.000 0.239 33 D C 0.912 177.196 176.300 -0.027 0.000 1.095 33 D CA 0.652 54.635 54.000 -0.028 0.000 0.888 33 D CB 0.391 41.181 40.800 -0.017 0.000 0.899 33 D HN 0.465 nan 8.370 nan 0.000 0.525 34 Q N -1.202 118.578 119.800 -0.034 0.000 2.402 34 Q HA 0.248 4.588 4.340 0.000 0.000 0.231 34 Q C 1.202 177.184 176.000 -0.030 0.000 0.888 34 Q CA 0.483 56.269 55.803 -0.029 0.000 0.938 34 Q CB 1.352 30.072 28.738 -0.030 0.000 1.086 34 Q HN 0.277 nan 8.270 nan 0.000 0.543 35 G N -0.435 108.342 108.800 -0.038 0.000 2.205 35 G HA2 0.014 3.974 3.960 0.000 0.000 0.180 35 G HA3 0.014 3.974 3.960 0.000 0.000 0.180 35 G C 0.374 175.243 174.900 -0.052 0.000 1.004 35 G CA -0.313 44.763 45.100 -0.040 0.000 0.670 35 G HN 0.723 nan 8.290 nan 0.000 0.496 36 G N -1.946 106.819 108.800 -0.058 0.000 2.422 36 G HA2 0.317 4.277 3.960 0.000 0.000 0.607 36 G HA3 0.317 4.277 3.960 0.000 0.000 0.607 36 G C -0.457 174.406 174.900 -0.061 0.000 1.270 36 G CA 0.060 45.117 45.100 -0.071 0.000 0.992 36 G HN 1.382 nan 8.290 nan 0.000 0.499 37 V N 2.674 122.549 119.914 -0.066 0.000 2.432 37 V HA 0.472 4.592 4.120 0.000 0.000 0.271 37 V C 0.950 177.015 176.094 -0.048 0.000 1.046 37 V CA -0.400 61.875 62.300 -0.042 0.000 0.945 37 V CB 1.072 32.882 31.823 -0.022 0.000 0.992 37 V HN 0.894 nan 8.190 nan 0.000 0.471 38 R N 6.508 126.992 120.500 -0.027 0.000 2.298 38 R HA 0.478 4.819 4.340 0.000 0.000 0.310 38 R C -0.864 175.426 176.300 -0.017 0.000 1.068 38 R CA -0.244 55.841 56.100 -0.026 0.000 0.957 38 R CB 0.418 30.709 30.300 -0.015 0.000 1.003 38 R HN 0.560 nan 8.270 nan 0.000 0.454 39 L N 1.707 122.915 121.223 -0.025 0.000 2.578 39 L HA 0.347 4.687 4.340 0.000 0.000 0.259 39 L C 1.724 178.592 176.870 -0.004 0.000 1.082 39 L CA -0.866 53.966 54.840 -0.013 0.000 0.843 39 L CB 0.243 42.286 42.059 -0.026 0.000 1.535 39 L HN 0.532 nan 8.230 nan 0.000 0.510 40 K N 0.956 121.358 120.400 0.003 0.000 1.984 40 K HA -0.156 4.164 4.320 0.000 0.000 0.209 40 K C 1.579 178.180 176.600 0.001 0.000 1.046 40 K CA 2.119 58.409 56.287 0.006 0.000 0.934 40 K CB -0.254 32.252 32.500 0.010 0.000 0.717 40 K HN 0.694 nan 8.250 nan 0.000 0.438 41 N N -1.210 117.489 118.700 -0.003 0.000 2.520 41 N HA 0.034 4.774 4.740 0.000 0.000 0.185 41 N C 1.142 176.647 175.510 -0.010 0.000 1.068 41 N CA 1.245 54.292 53.050 -0.005 0.000 0.911 41 N CB 0.248 38.731 38.487 -0.005 0.000 0.961 41 N HN 0.445 nan 8.380 nan 0.000 0.446 42 G N -0.335 108.457 108.800 -0.014 0.000 2.481 42 G HA2 -0.220 3.740 3.960 0.000 0.000 0.200 42 G HA3 -0.220 3.740 3.960 0.000 0.000 0.200 42 G C -0.702 174.182 174.900 -0.027 0.000 1.012 42 G CA -0.032 45.057 45.100 -0.017 0.000 0.676 42 G HN 0.536 nan 8.290 nan 0.000 0.488 43 D N 1.636 122.015 120.400 -0.035 0.000 2.399 43 D HA 0.390 5.030 4.640 0.000 0.000 0.241 43 D C 0.291 176.549 176.300 -0.070 0.000 1.133 43 D CA 0.130 54.100 54.000 -0.051 0.000 0.890 43 D CB 1.168 41.935 40.800 -0.055 0.000 1.201 43 D HN 0.417 nan 8.370 nan 0.000 0.432 44 R N 0.912 121.364 120.500 -0.080 0.000 2.598 44 R HA 0.470 4.810 4.340 0.000 0.000 0.279 44 R C 0.167 176.379 176.300 -0.146 0.000 0.984 44 R CA -0.920 55.123 56.100 -0.095 0.000 0.999 44 R CB 1.458 31.716 30.300 -0.071 0.000 1.114 44 R HN 0.398 nan 8.270 nan 0.000 0.493 48 D N 4.001 124.388 120.400 -0.022 0.000 2.422 48 D HA 0.330 4.971 4.640 0.000 0.000 0.227 48 D C -2.183 174.121 176.300 0.006 0.000 1.190 48 D CA -1.587 52.409 54.000 -0.007 0.000 0.905 48 D CB 0.805 41.608 40.800 0.006 0.000 1.034 48 D HN 0.053 nan 8.370 nan 0.000 0.507 49 P HA 0.321 nan 4.420 nan 0.000 0.277 49 P C -0.584 176.745 177.300 0.050 0.000 1.240 49 P CA -0.555 62.550 63.100 0.007 0.000 0.798 49 P CB 1.114 32.797 31.700 -0.029 0.000 0.979 50 I N 2.158 122.774 120.570 0.076 0.000 2.534 50 I HA 0.356 4.526 4.170 0.000 0.000 0.288 50 I C -1.467 174.730 176.117 0.135 0.000 1.077 50 I CA -1.125 60.238 61.300 0.105 0.000 1.051 50 I CB 1.068 39.122 38.000 0.090 0.000 1.234 50 I HN 0.108 nan 8.210 nan 0.000 0.425 51 L N 7.712 129.041 121.223 0.176 0.000 2.307 51 L HA 0.678 5.019 4.340 0.000 0.000 0.284 51 L C -0.849 176.140 176.870 0.198 0.000 1.023 51 L CA -0.919 54.025 54.840 0.173 0.000 0.810 51 L CB 1.684 43.840 42.059 0.163 0.000 1.231 51 L HN 0.279 nan 8.230 nan 0.000 0.423 52 V N 1.219 121.229 119.914 0.159 0.000 2.735 52 V HA 0.964 5.084 4.120 0.000 0.000 0.310 52 V C 0.249 176.409 176.094 0.110 0.000 1.061 52 V CA -0.422 61.970 62.300 0.152 0.000 0.913 52 V CB 1.636 33.552 31.823 0.155 0.000 1.005 52 V HN 0.956 nan 8.190 nan 0.000 0.428 53 G N 2.343 111.199 108.800 0.092 0.000 2.600 53 G HA2 0.449 4.409 3.960 0.000 0.000 0.293 53 G HA3 0.449 4.409 3.960 0.000 0.000 0.293 53 G C -0.099 174.828 174.900 0.044 0.000 1.408 53 G CA -0.751 44.383 45.100 0.056 0.000 0.782 53 G HN 0.480 nan 8.290 nan 0.000 0.482 54 R N -0.533 119.981 120.500 0.024 0.000 2.080 54 R HA -0.017 4.324 4.340 0.000 0.000 0.236 54 R C 1.254 177.560 176.300 0.011 0.000 1.137 54 R CA 1.815 57.925 56.100 0.017 0.000 0.943 54 R CB -0.377 29.926 30.300 0.005 0.000 0.846 54 R HN 0.540 nan 8.270 nan 0.000 0.431 55 S N -1.087 114.607 115.700 -0.009 0.000 2.472 55 S HA 0.561 5.031 4.470 0.000 0.000 0.303 55 S C 0.397 174.946 174.600 -0.085 0.000 1.099 55 S CA -0.535 57.644 58.200 -0.035 0.000 1.077 55 S CB 2.203 65.378 63.200 -0.042 0.000 1.031 55 S HN 0.227 nan 8.310 nan 0.000 0.487 56 A N 1.924 124.666 122.820 -0.129 0.000 1.970 56 A HA -0.025 4.295 4.320 0.000 0.000 0.216 56 A C 2.048 179.356 177.584 -0.460 0.000 1.170 56 A CA 1.055 52.891 52.037 -0.336 0.000 0.645 56 A CB -0.863 17.947 19.000 -0.317 0.000 0.816 56 A HN 1.014 nan 8.150 nan 0.000 0.447 57 E N 0.320 120.358 120.200 -0.271 0.000 2.085 57 E HA -0.234 4.116 4.350 0.000 0.000 0.194 57 E C 1.754 178.230 176.600 -0.207 0.000 0.994 57 E CA 1.492 57.756 56.400 -0.227 0.000 0.801 57 E CB -0.302 29.321 29.700 -0.128 0.000 0.743 57 E HN 0.546 nan 8.360 nan 0.000 0.453 58 K N 0.368 120.672 120.400 -0.161 0.000 2.228 58 K HA 0.027 4.347 4.320 0.000 0.000 0.202 58 K C 2.029 178.548 176.600 -0.135 0.000 1.051 58 K CA 0.680 56.897 56.287 -0.116 0.000 0.960 58 K CB 0.376 32.837 32.500 -0.064 0.000 0.743 58 K HN 0.020 nan 8.250 nan 0.000 0.458 59 V N 1.994 121.784 119.914 -0.207 0.000 2.535 59 V HA -0.181 3.939 4.120 0.000 0.000 0.246 59 V C 2.191 178.084 176.094 -0.336 0.000 1.045 59 V CA 1.743 63.926 62.300 -0.195 0.000 1.058 59 V CB -0.207 31.533 31.823 -0.139 0.000 0.689 59 V HN 0.424 nan 8.190 nan 0.000 0.461 60 E N 1.396 121.186 120.200 -0.684 0.000 2.208 60 E HA -0.116 4.234 4.350 0.000 0.000 0.193 60 E C 2.054 178.495 176.600 -0.265 0.000 0.988 60 E CA 1.283 57.236 56.400 -0.744 0.000 0.828 60 E CB -0.309 28.746 29.700 -1.075 0.000 0.763 60 E HN 0.478 nan 8.360 nan 0.000 0.478 61 A N 1.281 123.970 122.820 -0.218 0.000 1.929 61 A HA -0.047 4.273 4.320 0.000 0.000 0.216 61 A C 2.157 179.679 177.584 -0.103 0.000 1.176 61 A CA 0.925 52.884 52.037 -0.131 0.000 0.628 61 A CB -0.466 18.464 19.000 -0.116 0.000 0.816 61 A HN 0.303 nan 8.150 nan 0.000 0.444 62 L N -0.570 120.615 121.223 -0.064 0.000 2.156 62 L HA 0.054 4.394 4.340 0.000 0.000 0.208 62 L C 2.706 179.638 176.870 0.103 0.000 1.095 62 L CA 1.628 56.487 54.840 0.032 0.000 0.770 62 L CB -0.470 41.653 42.059 0.108 0.000 0.914 62 L HN 0.338 nan 8.230 nan 0.000 0.439 63 A N -0.881 121.985 122.820 0.076 0.000 1.972 63 A HA -0.215 4.105 4.320 0.000 0.000 0.219 63 A C 2.332 179.975 177.584 0.098 0.000 1.169 63 A CA 1.700 53.826 52.037 0.149 0.000 0.635 63 A CB -0.393 18.748 19.000 0.235 0.000 0.810 63 A HN 0.417 nan 8.150 nan 0.000 0.446 64 K N -0.615 119.793 120.400 0.014 0.000 2.002 64 K HA -0.116 4.204 4.320 0.000 0.000 0.209 64 K C 2.288 178.814 176.600 -0.122 0.000 1.048 64 K CA 1.374 57.643 56.287 -0.030 0.000 0.930 64 K CB -0.239 32.229 32.500 -0.053 0.000 0.714 64 K HN 0.366 nan 8.250 nan 0.000 0.438 65 R N -0.281 120.049 120.500 -0.284 0.000 2.140 65 R HA -0.192 4.148 4.340 0.000 0.000 0.250 65 R C 1.703 177.597 176.300 -0.676 0.000 1.150 65 R CA 1.976 57.690 56.100 -0.644 0.000 0.966 65 R CB -0.256 29.328 30.300 -1.194 0.000 0.869 65 R HN 0.219 nan 8.270 nan 0.000 0.445 66 F N -1.415 118.535 119.950 -0.001 0.000 2.706 66 F HA 0.288 4.815 4.527 0.000 0.000 0.313 66 F C 0.304 176.102 175.800 -0.004 0.000 1.096 66 F CA -0.519 57.476 58.000 -0.007 0.000 1.219 66 F CB 0.368 39.358 39.000 -0.016 0.000 1.051 66 F HN -0.071 nan 8.300 nan 0.000 0.568 67 N N 0.535 119.308 118.700 0.122 0.000 2.920 67 N HA -0.160 4.580 4.740 0.000 0.000 0.247 67 N C 0.716 176.284 175.510 0.096 0.000 1.123 67 N CA 0.459 53.560 53.050 0.085 0.000 0.711 67 N CB -1.667 36.856 38.487 0.060 0.000 1.065 67 N HN 0.251 nan 8.380 nan 0.000 0.554 68 I N 0.804 121.452 120.570 0.130 0.000 2.235 68 I HA -0.008 4.162 4.170 0.000 0.000 0.241 68 I C 1.712 177.893 176.117 0.106 0.000 1.085 68 I CA 1.656 63.025 61.300 0.114 0.000 1.378 68 I CB -0.181 37.904 38.000 0.141 0.000 1.076 68 I HN 0.389 nan 8.210 nan 0.000 0.415 69 A N 0.781 123.686 122.820 0.143 0.000 2.783 69 A HA -0.253 4.067 4.320 0.000 0.000 0.292 69 A C 0.694 178.333 177.584 0.091 0.000 1.495 69 A CA 0.860 52.980 52.037 0.138 0.000 0.787 69 A CB -1.791 17.258 19.000 0.080 0.000 1.017 69 A HN 0.442 nan 8.150 nan 0.000 0.516 70 R N -0.315 120.265 120.500 0.133 0.000 2.542 70 R HA 0.489 4.829 4.340 0.000 0.000 0.284 70 R C -1.083 175.307 176.300 0.149 0.000 1.167 70 R CA -0.043 56.072 56.100 0.024 0.000 1.000 70 R CB 1.203 31.512 30.300 0.016 0.000 1.229 70 R HN 1.002 nan 8.270 nan 0.000 0.416 71 W N 1.555 122.877 121.300 0.037 0.000 3.137 71 W HA 0.663 5.323 4.660 0.000 0.000 0.324 71 W C -1.561 174.982 176.519 0.039 0.000 1.253 71 W CA -0.890 56.480 57.345 0.041 0.000 1.183 71 W CB 1.345 30.829 29.460 0.040 0.000 1.424 71 W HN 0.414 nan 8.180 nan 0.000 0.566 72 T N -0.373 114.429 114.554 0.412 0.000 2.731 72 T HA 0.474 4.825 4.350 0.000 0.000 0.300 72 T C -0.010 174.878 174.700 0.314 0.000 1.283 72 T CA -0.390 61.898 62.100 0.312 0.000 1.005 72 T CB 2.306 71.243 68.868 0.114 0.000 1.420 72 T HN 0.390 nan 8.240 nan 0.000 0.503 73 T N -0.758 113.933 114.554 0.228 0.000 3.075 73 T HA 0.199 4.549 4.350 0.000 0.000 0.251 73 T C 0.231 174.997 174.700 0.110 0.000 0.979 73 T CA -0.065 62.132 62.100 0.161 0.000 1.033 73 T CB -0.090 68.868 68.868 0.149 0.000 1.104 73 T HN 0.589 nan 8.240 nan 0.000 0.473 74 D N 3.160 123.617 120.400 0.096 0.000 2.385 74 D HA 0.088 4.728 4.640 0.000 0.000 0.260 74 D C 1.304 177.644 176.300 0.068 0.000 1.326 74 D CA -0.097 53.942 54.000 0.066 0.000 1.023 74 D CB -0.005 40.824 40.800 0.049 0.000 1.083 74 D HN 0.009 nan 8.370 nan 0.000 0.517 75 L N 2.831 124.096 121.223 0.070 0.000 2.012 75 L HA -0.212 4.128 4.340 0.000 0.000 0.210 75 L C 0.952 177.852 176.870 0.049 0.000 1.073 75 L CA 1.927 56.815 54.840 0.080 0.000 0.748 75 L CB -0.277 41.830 42.059 0.080 0.000 0.891 75 L HN 0.347 nan 8.230 nan 0.000 0.431 76 D N 0.136 120.550 120.400 0.023 0.000 2.123 76 D HA -0.170 4.470 4.640 0.000 0.000 0.196 76 D C 2.246 178.549 176.300 0.005 0.000 0.992 76 D CA 1.618 55.619 54.000 0.000 0.000 0.833 76 D CB 0.016 40.813 40.800 -0.005 0.000 0.954 76 D HN 0.482 nan 8.370 nan 0.000 0.455 77 A N 0.503 123.334 122.820 0.019 0.000 1.930 77 A HA 0.036 4.356 4.320 0.000 0.000 0.217 77 A C 2.235 179.834 177.584 0.026 0.000 1.175 77 A CA 1.793 53.840 52.037 0.017 0.000 0.627 77 A CB -0.722 18.289 19.000 0.019 0.000 0.815 77 A HN 0.234 nan 8.150 nan 0.000 0.443 78 A N -0.471 122.378 122.820 0.047 0.000 2.015 78 A HA 0.060 4.380 4.320 0.000 0.000 0.219 78 A C 2.025 179.650 177.584 0.068 0.000 1.163 78 A CA 1.275 53.354 52.037 0.071 0.000 0.646 78 A CB -0.440 18.627 19.000 0.112 0.000 0.806 78 A HN 0.467 nan 8.150 nan 0.000 0.448 79 L N -1.246 119.998 121.223 0.036 0.000 2.418 79 L HA -0.005 4.335 4.340 0.000 0.000 0.218 79 L C 2.820 179.684 176.870 -0.009 0.000 1.125 79 L CA 0.617 55.455 54.840 -0.003 0.000 0.835 79 L CB -0.320 41.693 42.059 -0.077 0.000 0.953 79 L HN 0.419 nan 8.230 nan 0.000 0.454 80 A N -0.810 122.008 122.820 -0.003 0.000 2.014 80 A HA -0.095 4.225 4.320 0.000 0.000 0.218 80 A C 0.515 178.101 177.584 0.003 0.000 1.163 80 A CA 0.505 52.539 52.037 -0.005 0.000 0.652 80 A CB -0.392 18.605 19.000 -0.005 0.000 0.808 80 A HN 0.260 nan 8.150 nan 0.000 0.449 81 D N 0.352 120.761 120.400 0.015 0.000 2.487 81 D HA 0.109 4.750 4.640 0.000 0.000 0.243 81 D C 0.802 177.114 176.300 0.020 0.000 1.154 81 D CA 0.258 54.270 54.000 0.021 0.000 0.876 81 D CB 0.853 41.674 40.800 0.036 0.000 1.161 81 D HN 0.002 nan 8.370 nan 0.000 0.478 82 K N 1.795 122.204 120.400 0.014 0.000 2.360 82 K HA 0.003 4.323 4.320 0.000 0.000 0.196 82 K C 1.239 177.851 176.600 0.019 0.000 1.049 82 K CA 0.032 56.325 56.287 0.011 0.000 1.049 82 K CB 0.278 32.779 32.500 0.001 0.000 0.881 82 K HN 0.441 nan 8.250 nan 0.000 0.542 83 N N 0.347 119.061 118.700 0.023 0.000 2.244 83 N HA -0.118 4.622 4.740 0.000 0.000 0.183 83 N C -0.154 175.383 175.510 0.045 0.000 1.016 83 N CA 0.775 53.842 53.050 0.028 0.000 0.866 83 N CB -0.187 38.312 38.487 0.020 0.000 0.980 83 N HN -0.084 nan 8.380 nan 0.000 0.430 84 D N 0.039 120.472 120.400 0.055 0.000 2.225 84 D HA 0.288 4.928 4.640 0.000 0.000 0.249 84 D C -0.144 176.212 176.300 0.093 0.000 1.052 84 D CA -0.120 53.930 54.000 0.082 0.000 0.909 84 D CB 1.915 42.771 40.800 0.094 0.000 1.186 84 D HN 0.070 nan 8.370 nan 0.000 0.431 88 F N 6.626 126.227 119.950 -0.582 0.000 2.495 88 F HA 0.625 5.152 4.527 0.000 0.000 0.327 88 F C -1.233 174.037 175.800 -0.883 0.000 1.103 88 F CA -0.323 57.398 58.000 -0.464 0.000 0.949 88 F CB 1.182 40.208 39.000 0.043 0.000 1.142 88 F HN 0.532 nan 8.300 nan 0.000 0.457 89 D N 4.318 123.826 120.400 -1.486 0.000 2.788 89 D HA 0.492 5.132 4.640 0.000 0.000 0.247 89 D C -1.316 174.294 176.300 -1.150 0.000 1.236 89 D CA -0.288 53.072 54.000 -1.066 0.000 0.898 89 D CB 2.070 42.582 40.800 -0.479 0.000 1.401 89 D HN 0.740 nan 8.370 nan 0.000 0.549 90 A N 2.775 125.140 122.820 -0.758 0.000 2.812 90 A HA 0.634 4.954 4.320 0.000 0.000 0.294 90 A C 0.270 177.758 177.584 -0.160 0.000 1.014 90 A CA 0.091 51.894 52.037 -0.390 0.000 1.024 90 A CB 0.261 19.181 19.000 -0.134 0.000 1.162 90 A HN 0.539 nan 8.150 nan 0.000 0.511 91 A N -0.272 122.447 122.820 -0.169 0.000 3.778 91 A HA 0.715 5.035 4.320 0.000 0.000 0.156 91 A C 0.708 178.231 177.584 -0.102 0.000 1.681 91 A CA -0.008 51.973 52.037 -0.092 0.000 1.240 91 A CB -0.631 18.331 19.000 -0.064 0.000 1.750 91 A HN 0.327 nan 8.150 nan 0.000 0.675 92 T N 0.878 115.372 114.554 -0.100 0.000 2.867 92 T HA 0.226 4.576 4.350 0.000 0.000 0.297 92 T C 1.318 175.931 174.700 -0.144 0.000 0.989 92 T CA 0.862 62.879 62.100 -0.138 0.000 1.159 92 T CB 0.832 69.627 68.868 -0.121 0.000 0.928 92 T HN 0.700 nan 8.240 nan 0.000 0.538 93 T N 2.353 116.794 114.554 -0.189 0.000 2.777 93 T HA -0.132 4.218 4.350 0.000 0.000 0.266 93 T C 1.946 176.564 174.700 -0.135 0.000 1.040 93 T CA 1.043 63.047 62.100 -0.159 0.000 1.141 93 T CB -0.134 68.631 68.868 -0.173 0.000 0.868 93 T HN 0.700 nan 8.240 nan 0.000 0.444 94 Q N 0.224 119.929 119.800 -0.158 0.000 2.515 94 Q HA 0.220 4.561 4.340 0.000 0.000 0.212 94 Q C 1.691 177.637 176.000 -0.091 0.000 0.970 94 Q CA 0.946 56.677 55.803 -0.119 0.000 0.941 94 Q CB -0.209 28.452 28.738 -0.129 0.000 0.998 94 Q HN 0.632 nan 8.270 nan 0.000 0.518 95 A N 0.579 123.346 122.820 -0.088 0.000 2.419 95 A HA 0.156 4.476 4.320 0.000 0.000 0.233 95 A C 1.975 179.531 177.584 -0.046 0.000 1.217 95 A CA -0.202 51.798 52.037 -0.062 0.000 0.944 95 A CB 0.043 19.010 19.000 -0.056 0.000 1.025 95 A HN 0.162 nan 8.150 nan 0.000 0.524 96 R N 0.848 121.316 120.500 -0.054 0.000 2.062 96 R HA -0.034 4.306 4.340 0.000 0.000 0.229 96 R C -0.871 175.413 176.300 -0.027 0.000 1.128 96 R CA 1.571 57.650 56.100 -0.034 0.000 0.960 96 R CB -0.697 29.562 30.300 -0.069 0.000 0.855 96 R HN 0.375 nan 8.270 nan 0.000 0.432 97 P HA -0.080 nan 4.420 nan 0.000 0.218 97 P C 1.239 178.503 177.300 -0.060 0.000 1.149 97 P CA 1.713 64.782 63.100 -0.053 0.000 0.817 97 P CB -0.299 31.366 31.700 -0.059 0.000 0.785 98 G N 0.776 109.540 108.800 -0.059 0.000 2.421 98 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 98 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 98 G C 1.676 176.521 174.900 -0.091 0.000 1.171 98 G CA 0.594 45.653 45.100 -0.068 0.000 0.775 98 G HN 0.234 nan 8.290 nan 0.000 0.543 99 L N -0.124 121.048 121.223 -0.084 0.000 2.109 99 L HA 0.081 4.421 4.340 0.000 0.000 0.207 99 L C 2.876 179.558 176.870 -0.315 0.000 1.086 99 L CA 0.307 55.049 54.840 -0.162 0.000 0.760 99 L CB -0.464 41.582 42.059 -0.021 0.000 0.910 99 L HN 0.162 nan 8.230 nan 0.000 0.437 100 L N -0.661 120.479 121.223 -0.139 0.000 2.017 100 L HA -0.183 4.157 4.340 0.000 0.000 0.208 100 L C 2.657 179.443 176.870 -0.140 0.000 1.073 100 L CA 1.466 56.242 54.840 -0.107 0.000 0.745 100 L CB -0.928 41.136 42.059 0.009 0.000 0.894 100 L HN 0.198 nan 8.230 nan 0.000 0.432 101 T N -1.121 113.364 114.554 -0.115 0.000 2.803 101 T HA -0.263 4.088 4.350 0.000 0.000 0.269 101 T C 1.893 176.518 174.700 -0.124 0.000 1.052 101 T CA 1.322 63.360 62.100 -0.105 0.000 1.136 101 T CB -0.092 68.724 68.868 -0.087 0.000 0.864 101 T HN 0.331 nan 8.240 nan 0.000 0.467 102 Q N -0.321 119.379 119.800 -0.166 0.000 2.137 102 Q HA 0.034 4.374 4.340 0.000 0.000 0.198 102 Q C 2.466 178.336 176.000 -0.217 0.000 0.960 102 Q CA 1.079 56.776 55.803 -0.176 0.000 0.847 102 Q CB -0.107 28.521 28.738 -0.183 0.000 0.915 102 Q HN 0.555 nan 8.270 nan 0.000 0.448 103 A N 0.385 123.007 122.820 -0.329 0.000 1.930 103 A HA -0.083 4.237 4.320 0.000 0.000 0.215 103 A C 1.892 179.393 177.584 -0.138 0.000 1.176 103 A CA 0.676 52.517 52.037 -0.326 0.000 0.632 103 A CB -0.389 18.232 19.000 -0.632 0.000 0.819 103 A HN 0.358 nan 8.150 nan 0.000 0.445 104 I N 0.293 120.801 120.570 -0.102 0.000 2.226 104 I HA -0.249 3.921 4.170 0.000 0.000 0.245 104 I C 2.015 178.099 176.117 -0.056 0.000 1.100 104 I CA 1.007 62.279 61.300 -0.048 0.000 1.374 104 I CB -0.412 37.563 38.000 -0.041 0.000 1.057 104 I HN 0.257 nan 8.210 nan 0.000 0.413 105 N N 1.117 119.774 118.700 -0.071 0.000 2.205 105 N HA -0.141 4.599 4.740 0.000 0.000 0.186 105 N C 1.559 177.035 175.510 -0.057 0.000 1.015 105 N CA 1.589 54.603 53.050 -0.061 0.000 0.862 105 N CB -0.237 38.210 38.487 -0.066 0.000 0.986 105 N HN 0.372 nan 8.380 nan 0.000 0.429 106 A N -0.365 122.416 122.820 -0.066 0.000 2.337 106 A HA 0.440 4.760 4.320 0.000 0.000 0.227 106 A C 1.251 178.803 177.584 -0.052 0.000 1.259 106 A CA 0.515 52.519 52.037 -0.055 0.000 0.870 106 A CB -0.365 18.600 19.000 -0.059 0.000 0.927 106 A HN 0.275 nan 8.150 nan 0.000 0.497 107 G N -0.108 108.657 108.800 -0.060 0.000 2.198 107 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 107 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 107 G C -0.060 174.764 174.900 -0.127 0.000 1.042 107 G CA 0.478 45.528 45.100 -0.083 0.000 0.791 107 G HN 0.576 nan 8.290 nan 0.000 0.502 108 K N 0.661 121.016 120.400 -0.074 0.000 2.185 108 K HA 0.416 4.736 4.320 0.000 0.000 0.269 108 K C 0.439 177.061 176.600 0.035 0.000 0.987 108 K CA -0.987 55.281 56.287 -0.031 0.000 0.865 108 K CB 0.877 33.422 32.500 0.075 0.000 1.090 108 K HN 0.347 nan 8.250 nan 0.000 0.450 109 H N 0.899 120.072 119.070 0.171 0.000 2.852 109 H HA 0.076 4.632 4.556 0.000 0.000 0.362 109 H C -0.297 175.266 175.328 0.391 0.000 1.122 109 H CA 0.208 56.410 56.048 0.257 0.000 1.419 109 H CB 0.784 30.647 29.762 0.169 0.000 1.401 109 H HN 0.123 nan 8.280 nan 0.000 0.609 110 V N 3.667 123.948 119.914 0.611 0.000 2.686 110 V HA 0.201 4.321 4.120 0.000 0.000 0.306 110 V C -1.339 174.898 176.094 0.240 0.000 1.065 110 V CA -0.655 61.915 62.300 0.449 0.000 0.894 110 V CB 2.080 34.114 31.823 0.351 0.000 1.004 110 V HN 0.691 nan 8.190 nan 0.000 0.424 111 Y N 5.569 125.839 120.300 -0.050 0.000 2.433 111 Y HA 0.721 5.271 4.550 0.000 0.000 0.337 111 Y C -0.306 175.459 175.900 -0.225 0.000 1.026 111 Y CA -0.905 56.984 58.100 -0.351 0.000 1.037 111 Y CB 1.763 39.827 38.460 -0.661 0.000 1.245 111 Y HN 0.916 nan 8.280 nan 0.000 0.443 112 C N 4.079 122.971 119.300 -0.680 0.000 3.173 112 C HA 0.664 5.124 4.460 0.000 0.000 0.310 112 C C -0.548 174.057 174.990 -0.641 0.000 1.306 112 C CA -0.876 57.741 59.018 -0.667 0.000 1.426 112 C CB 1.760 29.280 27.740 -0.366 0.000 1.800 112 C HN 0.851 nan 8.230 nan 0.000 0.470 113 E N 1.140 121.009 120.200 -0.551 0.000 2.421 113 E HA 0.216 4.566 4.350 0.000 0.000 0.253 113 E C -0.492 175.999 176.600 -0.182 0.000 1.277 113 E CA -0.040 56.194 56.400 -0.276 0.000 0.968 113 E CB 0.634 30.232 29.700 -0.170 0.000 1.040 113 E HN 0.738 nan 8.360 nan 0.000 0.512 114 K N 1.682 122.040 120.400 -0.069 0.000 2.201 114 K HA 0.337 4.658 4.320 0.000 0.000 0.278 114 K C -2.280 174.297 176.600 -0.039 0.000 1.027 114 K CA -1.502 54.746 56.287 -0.064 0.000 0.909 114 K CB 0.748 33.220 32.500 -0.048 0.000 1.062 114 K HN 0.134 nan 8.250 nan 0.000 0.465 115 P HA 0.218 nan 4.420 nan 0.000 0.284 115 P C 0.568 177.823 177.300 -0.075 0.000 1.287 115 P CA -0.678 62.383 63.100 -0.065 0.000 0.824 115 P CB 0.535 32.209 31.700 -0.043 0.000 1.180 116 I N -2.913 117.620 120.570 -0.062 0.000 2.876 116 I HA 0.411 4.581 4.170 0.000 0.000 0.264 116 I C 0.576 176.661 176.117 -0.055 0.000 1.204 116 I CA 0.567 61.827 61.300 -0.066 0.000 1.485 116 I CB -0.141 37.828 38.000 -0.052 0.000 1.103 116 I HN 0.238 nan 8.210 nan 0.000 0.446 117 A N 0.316 123.112 122.820 -0.039 0.000 2.536 117 A HA 0.548 4.868 4.320 0.000 0.000 0.293 117 A C 0.531 178.104 177.584 -0.020 0.000 1.119 117 A CA 0.104 52.119 52.037 -0.036 0.000 0.654 117 A CB 0.411 19.389 19.000 -0.037 0.000 1.291 117 A HN 0.125 nan 8.150 nan 0.000 0.439 118 T N 0.020 114.562 114.554 -0.020 0.000 2.976 118 T HA 0.111 4.461 4.350 0.000 0.000 0.257 118 T C 0.835 175.550 174.700 0.025 0.000 1.051 118 T CA 0.859 62.956 62.100 -0.006 0.000 1.141 118 T CB -0.160 68.696 68.868 -0.020 0.000 0.881 118 T HN 0.521 nan 8.240 nan 0.000 0.461 119 N N -0.332 118.383 118.700 0.025 0.000 2.443 119 N HA 0.307 5.047 4.740 0.000 0.000 0.293 119 N C -0.268 175.302 175.510 0.101 0.000 1.159 119 N CA -0.465 52.617 53.050 0.055 0.000 0.904 119 N CB 1.784 40.282 38.487 0.019 0.000 1.214 119 N HN -0.009 nan 8.380 nan 0.000 0.513 120 F N 2.031 121.979 119.950 -0.003 0.000 2.234 120 F HA 0.060 4.587 4.527 0.000 0.000 0.296 120 F C 1.993 177.792 175.800 -0.002 0.000 1.089 120 F CA 1.242 59.243 58.000 0.001 0.000 1.343 120 F CB 0.185 39.191 39.000 0.011 0.000 1.040 120 F HN 0.515 nan 8.300 nan 0.000 0.498 121 E N 0.549 120.686 120.200 -0.106 0.000 2.058 121 E HA -0.270 4.080 4.350 0.000 0.000 0.194 121 E C 2.133 178.613 176.600 -0.200 0.000 0.997 121 E CA 1.554 57.840 56.400 -0.190 0.000 0.801 121 E CB -0.741 28.922 29.700 -0.061 0.000 0.746 121 E HN 0.575 nan 8.360 nan 0.000 0.450 122 E N 0.458 120.587 120.200 -0.118 0.000 2.070 122 E HA -0.204 4.146 4.350 0.000 0.000 0.197 122 E C 1.951 178.472 176.600 -0.131 0.000 1.004 122 E CA 1.377 57.717 56.400 -0.100 0.000 0.805 122 E CB -0.043 29.621 29.700 -0.060 0.000 0.744 122 E HN 0.246 nan 8.360 nan 0.000 0.451 123 A N 0.387 123.112 122.820 -0.157 0.000 1.897 123 A HA -0.120 4.200 4.320 0.000 0.000 0.215 123 A C 2.068 179.522 177.584 -0.217 0.000 1.181 123 A CA 0.995 52.943 52.037 -0.148 0.000 0.620 123 A CB -0.491 18.462 19.000 -0.078 0.000 0.821 123 A HN 0.327 nan 8.150 nan 0.000 0.443 124 L N -0.118 120.870 121.223 -0.392 0.000 2.093 124 L HA -0.072 4.268 4.340 0.000 0.000 0.208 124 L C 2.092 178.834 176.870 -0.213 0.000 1.085 124 L CA 2.579 57.198 54.840 -0.368 0.000 0.755 124 L CB -0.571 41.127 42.059 -0.603 0.000 0.904 124 L HN 0.419 nan 8.230 nan 0.000 0.435 125 E N -0.935 119.151 120.200 -0.190 0.000 2.265 125 E HA -0.137 4.213 4.350 0.000 0.000 0.196 125 E C 1.970 178.502 176.600 -0.112 0.000 0.996 125 E CA 1.228 57.550 56.400 -0.129 0.000 0.832 125 E CB -0.142 29.492 29.700 -0.110 0.000 0.756 125 E HN 0.410 nan 8.360 nan 0.000 0.491 126 V N -0.749 119.092 119.914 -0.121 0.000 2.488 126 V HA -0.157 3.963 4.120 0.000 0.000 0.246 126 V C 2.229 178.242 176.094 -0.135 0.000 1.046 126 V CA 1.169 63.402 62.300 -0.111 0.000 1.053 126 V CB -0.200 31.565 31.823 -0.097 0.000 0.679 126 V HN 0.145 nan 8.190 nan 0.000 0.458 127 V N 0.091 119.922 119.914 -0.139 0.000 2.261 127 V HA -0.273 3.847 4.120 0.000 0.000 0.246 127 V C 2.463 178.477 176.094 -0.134 0.000 1.047 127 V CA 2.081 64.287 62.300 -0.157 0.000 1.015 127 V CB -0.740 31.033 31.823 -0.084 0.000 0.642 127 V HN 0.503 nan 8.190 nan 0.000 0.446 128 K N -0.361 119.984 120.400 -0.091 0.000 2.044 128 K HA -0.258 4.062 4.320 0.000 0.000 0.210 128 K C 2.121 178.685 176.600 -0.060 0.000 1.049 128 K CA 1.844 58.095 56.287 -0.061 0.000 0.927 128 K CB -0.496 31.970 32.500 -0.057 0.000 0.713 128 K HN 0.264 nan 8.250 nan 0.000 0.443 129 L N 0.898 122.075 121.223 -0.077 0.000 2.017 129 L HA -0.175 4.165 4.340 0.000 0.000 0.208 129 L C 2.276 179.106 176.870 -0.066 0.000 1.073 129 L CA 1.887 56.687 54.840 -0.067 0.000 0.745 129 L CB -0.588 41.428 42.059 -0.072 0.000 0.894 129 L HN 0.158 nan 8.230 nan 0.000 0.432 130 A N -0.509 122.239 122.820 -0.120 0.000 1.902 130 A HA -0.227 4.093 4.320 0.000 0.000 0.217 130 A C 2.098 179.669 177.584 -0.022 0.000 1.181 130 A CA 1.917 53.875 52.037 -0.132 0.000 0.623 130 A CB -0.804 17.940 19.000 -0.426 0.000 0.818 130 A HN 0.608 nan 8.150 nan 0.000 0.443 131 N N 0.400 119.086 118.700 -0.022 0.000 2.039 131 N HA -0.119 4.622 4.740 0.000 0.000 0.193 131 N C 2.023 177.573 175.510 0.065 0.000 1.044 131 N CA 1.635 54.741 53.050 0.093 0.000 0.847 131 N CB -0.742 37.795 38.487 0.083 0.000 1.030 131 N HN 0.421 nan 8.380 nan 0.000 0.422 132 S N 1.186 116.901 115.700 0.025 0.000 2.378 132 S HA -0.152 4.318 4.470 0.000 0.000 0.229 132 S C 1.765 176.377 174.600 0.020 0.000 1.052 132 S CA 1.348 59.558 58.200 0.016 0.000 1.084 132 S CB -0.129 63.069 63.200 -0.003 0.000 0.950 132 S HN 0.334 nan 8.310 nan 0.000 0.440 133 K N -0.086 120.325 120.400 0.019 0.000 2.148 133 K HA 0.040 4.361 4.320 0.000 0.000 0.204 133 K C 1.687 178.305 176.600 0.029 0.000 1.050 133 K CA 0.979 57.274 56.287 0.014 0.000 0.942 133 K CB -0.585 31.916 32.500 0.003 0.000 0.724 133 K HN 0.572 nan 8.250 nan 0.000 0.446 134 G N 1.197 110.036 108.800 0.065 0.000 2.163 134 G HA2 -0.240 3.720 3.960 0.000 0.000 0.213 134 G HA3 -0.240 3.720 3.960 0.000 0.000 0.213 134 G C 0.260 175.232 174.900 0.120 0.000 0.991 134 G CA 0.206 45.354 45.100 0.079 0.000 0.653 134 G HN 0.217 nan 8.290 nan 0.000 0.518 135 V N -1.622 118.383 119.914 0.152 0.000 2.881 135 V HA 0.697 4.817 4.120 0.000 0.000 0.303 135 V C 0.567 176.914 176.094 0.422 0.000 1.070 135 V CA -1.170 61.276 62.300 0.243 0.000 1.074 135 V CB 1.274 33.200 31.823 0.172 0.000 1.012 135 V HN 0.196 nan 8.190 nan 0.000 0.482 136 K N 3.008 123.734 120.400 0.543 0.000 2.185 136 K HA 0.463 4.783 4.320 0.000 0.000 0.271 136 K C -0.492 176.443 176.600 0.559 0.000 1.013 136 K CA -0.047 56.380 56.287 0.233 0.000 0.943 136 K CB 1.042 33.287 32.500 -0.425 0.000 0.998 136 K HN 1.240 nan 8.250 nan 0.000 0.468 137 H N -2.439 116.989 119.070 0.597 0.000 3.038 137 H HA 0.689 5.245 4.556 0.000 0.000 0.362 137 H C -0.439 175.160 175.328 0.453 0.000 1.167 137 H CA -1.141 55.191 56.048 0.474 0.000 1.197 137 H CB 1.736 31.665 29.762 0.279 0.000 1.840 137 H HN 0.716 nan 8.280 nan 0.000 0.540 138 G N 0.053 108.964 108.800 0.185 0.000 2.677 138 G HA2 0.516 4.476 3.960 0.000 0.000 0.291 138 G HA3 0.516 4.476 3.960 0.000 0.000 0.291 138 G C -1.535 173.306 174.900 -0.099 0.000 1.435 138 G CA -0.504 44.721 45.100 0.208 0.000 0.826 138 G HN 0.765 nan 8.290 nan 0.000 0.491 139 T N -1.021 113.475 114.554 -0.096 0.000 2.883 139 T HA 0.539 4.889 4.350 0.000 0.000 0.301 139 T C -0.555 173.953 174.700 -0.320 0.000 1.158 139 T CA -0.333 61.535 62.100 -0.387 0.000 1.007 139 T CB 1.695 70.436 68.868 -0.212 0.000 1.186 139 T HN 0.652 nan 8.240 nan 0.000 0.499 140 V N 4.546 124.228 119.914 -0.387 0.000 2.572 140 V HA 0.275 4.395 4.120 0.000 0.000 0.291 140 V C 0.324 176.263 176.094 -0.259 0.000 1.039 140 V CA 0.245 62.427 62.300 -0.197 0.000 1.055 140 V CB 1.071 32.905 31.823 0.019 0.000 0.969 140 V HN 0.799 nan 8.190 nan 0.000 0.482 141 Q N 3.423 122.966 119.800 -0.427 0.000 2.831 141 Q HA 0.141 4.481 4.340 0.000 0.000 0.366 141 Q C 0.661 176.418 176.000 -0.406 0.000 0.899 141 Q CA -0.344 54.928 55.803 -0.884 0.000 0.987 141 Q CB 0.632 28.420 28.738 -1.584 0.000 1.382 141 Q HN 0.990 nan 8.270 nan 0.000 0.403 142 D N 0.888 121.230 120.400 -0.096 0.000 2.123 142 D HA -0.236 4.405 4.640 0.000 0.000 0.196 142 D C 1.095 177.443 176.300 0.080 0.000 0.992 142 D CA 1.054 54.978 54.000 -0.126 0.000 0.833 142 D CB 0.319 40.869 40.800 -0.418 0.000 0.954 142 D HN 0.085 nan 8.370 nan 0.000 0.455 143 K N 0.311 120.848 120.400 0.228 0.000 2.189 143 K HA -0.076 4.244 4.320 0.000 0.000 0.207 143 K C 2.258 178.936 176.600 0.130 0.000 1.046 143 K CA 0.783 57.200 56.287 0.218 0.000 0.928 143 K CB -0.361 32.289 32.500 0.251 0.000 0.720 143 K HN 0.231 nan 8.250 nan 0.000 0.458 144 L N -0.705 120.544 121.223 0.043 0.000 2.465 144 L HA -0.074 4.266 4.340 0.000 0.000 0.224 144 L C 1.045 177.636 176.870 -0.465 0.000 1.145 144 L CA 0.595 55.278 54.840 -0.262 0.000 0.834 144 L CB -0.070 41.686 42.059 -0.506 0.000 0.944 144 L HN 0.148 nan 8.230 nan 0.000 0.451 145 F N -1.104 118.786 119.950 -0.100 0.000 2.721 145 F HA 0.169 4.697 4.527 0.000 0.000 0.301 145 F C 0.996 176.756 175.800 -0.067 0.000 1.096 145 F CA -0.540 57.409 58.000 -0.085 0.000 1.308 145 F CB 0.063 38.974 39.000 -0.149 0.000 1.086 145 F HN -0.173 nan 8.300 nan 0.000 0.587 146 L N 2.758 124.023 121.223 0.070 0.000 2.601 146 L HA -0.047 4.293 4.340 0.000 0.000 0.277 146 L C -1.225 175.595 176.870 -0.083 0.000 1.219 146 L CA -1.091 53.764 54.840 0.024 0.000 0.915 146 L CB 0.234 42.332 42.059 0.066 0.000 1.160 146 L HN -0.106 nan 8.230 nan 0.000 0.494 147 P HA -0.179 nan 4.420 nan 0.000 0.216 147 P C 1.480 178.572 177.300 -0.346 0.000 1.153 147 P CA 1.482 64.223 63.100 -0.598 0.000 0.858 147 P CB 0.165 31.412 31.700 -0.755 0.000 0.789 148 G N -0.258 108.455 108.800 -0.145 0.000 2.440 148 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 148 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 148 G C 1.414 176.327 174.900 0.023 0.000 1.154 148 G CA 0.619 45.705 45.100 -0.023 0.000 0.767 148 G HN 0.252 nan 8.290 nan 0.000 0.552 149 L N -0.526 120.702 121.223 0.008 0.000 2.313 149 L HA 0.117 4.457 4.340 0.000 0.000 0.214 149 L C 2.771 179.625 176.870 -0.027 0.000 1.119 149 L CA 0.535 55.373 54.840 -0.004 0.000 0.809 149 L CB -0.154 41.885 42.059 -0.032 0.000 0.933 149 L HN 0.179 nan 8.230 nan 0.000 0.449 150 K N 0.456 120.832 120.400 -0.041 0.000 2.155 150 K HA -0.115 4.206 4.320 0.000 0.000 0.203 150 K C 2.043 178.708 176.600 0.109 0.000 1.052 150 K CA 0.976 57.270 56.287 0.011 0.000 0.948 150 K CB 0.108 32.627 32.500 0.032 0.000 0.728 150 K HN 0.195 nan 8.250 nan 0.000 0.448 151 K N 0.575 121.033 120.400 0.096 0.000 2.097 151 K HA -0.063 4.258 4.320 0.000 0.000 0.205 151 K C 1.939 178.691 176.600 0.255 0.000 1.050 151 K CA 0.852 57.265 56.287 0.210 0.000 0.938 151 K CB 0.038 32.619 32.500 0.134 0.000 0.718 151 K HN 0.047 nan 8.250 nan 0.000 0.442 152 I N 1.200 121.887 120.570 0.195 0.000 2.179 152 I HA -0.231 3.939 4.170 0.000 0.000 0.242 152 I C 2.483 178.739 176.117 0.231 0.000 1.088 152 I CA 1.283 62.742 61.300 0.264 0.000 1.357 152 I CB -1.313 36.829 38.000 0.237 0.000 1.051 152 I HN 0.111 nan 8.210 nan 0.000 0.409 153 A N 0.965 123.861 122.820 0.126 0.000 1.892 153 A HA -0.298 4.022 4.320 0.000 0.000 0.218 153 A C 2.296 179.976 177.584 0.159 0.000 1.188 153 A CA 1.988 54.082 52.037 0.094 0.000 0.631 153 A CB -1.249 17.776 19.000 0.041 0.000 0.822 153 A HN 0.464 nan 8.150 nan 0.000 0.447 154 F N 0.307 120.292 119.950 0.058 0.000 2.234 154 F HA -0.041 4.486 4.527 0.000 0.000 0.299 154 F C 1.681 177.507 175.800 0.042 0.000 1.087 154 F CA 1.410 59.440 58.000 0.050 0.000 1.340 154 F CB -0.219 38.811 39.000 0.050 0.000 1.031 154 F HN 0.127 nan 8.300 nan 0.000 0.500 155 L N 0.256 121.353 121.223 -0.210 0.000 2.109 155 L HA -0.102 4.238 4.340 0.000 0.000 0.207 155 L C 2.811 179.590 176.870 -0.152 0.000 1.086 155 L CA 1.239 55.845 54.840 -0.390 0.000 0.760 155 L CB -0.669 41.172 42.059 -0.363 0.000 0.910 155 L HN 0.132 nan 8.230 nan 0.000 0.437 156 R N 0.268 120.845 120.500 0.130 0.000 2.073 156 R HA -0.153 4.187 4.340 0.000 0.000 0.229 156 R C 1.638 177.990 176.300 0.086 0.000 1.120 156 R CA 1.722 57.976 56.100 0.257 0.000 0.967 156 R CB -0.116 30.356 30.300 0.286 0.000 0.862 156 R HN 0.299 nan 8.270 nan 0.000 0.436 157 D N 0.325 120.736 120.400 0.018 0.000 2.117 157 D HA -0.108 4.532 4.640 0.000 0.000 0.198 157 D C 1.784 178.057 176.300 -0.044 0.000 0.982 157 D CA 1.778 55.781 54.000 0.005 0.000 0.828 157 D CB -0.144 40.678 40.800 0.037 0.000 0.967 157 D HN 0.339 nan 8.370 nan 0.000 0.464 158 S N -0.760 114.837 115.700 -0.171 0.000 2.607 158 S HA 0.209 4.679 4.470 0.000 0.000 0.224 158 S C 1.702 176.247 174.600 -0.092 0.000 0.969 158 S CA 0.713 58.802 58.200 -0.184 0.000 0.927 158 S CB 0.104 63.035 63.200 -0.449 0.000 0.772 158 S HN 0.327 nan 8.310 nan 0.000 0.533 159 G N 0.714 109.487 108.800 -0.045 0.000 2.143 159 G HA2 -0.343 3.617 3.960 0.000 0.000 0.249 159 G HA3 -0.343 3.617 3.960 0.000 0.000 0.249 159 G C 0.266 175.174 174.900 0.014 0.000 0.981 159 G CA 0.220 45.323 45.100 0.006 0.000 0.665 159 G HN 0.571 nan 8.290 nan 0.000 0.528 160 F N 0.753 120.575 119.950 -0.214 0.000 2.091 160 F HA 0.018 4.545 4.527 0.000 0.000 0.299 160 F C 2.151 177.837 175.800 -0.189 0.000 1.103 160 F CA 2.452 60.284 58.000 -0.280 0.000 1.228 160 F CB -0.292 38.389 39.000 -0.532 0.000 0.984 160 F HN 0.161 nan 8.300 nan 0.000 0.477 161 F N 0.480 120.397 119.950 -0.056 0.000 2.502 161 F HA 0.201 4.728 4.527 0.000 0.000 0.298 161 F C 2.125 177.786 175.800 -0.231 0.000 1.111 161 F CA 0.824 58.731 58.000 -0.154 0.000 1.445 161 F CB -1.018 37.997 39.000 0.025 0.000 1.081 161 F HN 0.274 nan 8.300 nan 0.000 0.558 162 G N 0.343 109.053 108.800 -0.149 0.000 2.595 162 G HA2 -0.385 3.576 3.960 0.000 0.000 0.297 162 G HA3 -0.385 3.576 3.960 0.000 0.000 0.297 162 G C 0.435 175.192 174.900 -0.237 0.000 1.181 162 G CA 0.228 44.991 45.100 -0.562 0.000 0.963 162 G HN 0.425 nan 8.290 nan 0.000 0.541 163 R N 0.733 121.104 120.500 -0.216 0.000 2.255 163 R HA 0.594 4.934 4.340 0.000 0.000 0.326 163 R C 0.470 176.737 176.300 -0.056 0.000 0.986 163 R CA -0.763 55.281 56.100 -0.094 0.000 0.847 163 R CB 0.201 30.446 30.300 -0.092 0.000 1.111 163 R HN 0.452 nan 8.270 nan 0.000 0.452 164 I N 6.435 126.978 120.570 -0.046 0.000 2.618 164 I HA -0.102 4.068 4.170 0.000 0.000 0.284 164 I C 0.949 176.991 176.117 -0.125 0.000 1.146 164 I CA 0.285 61.500 61.300 -0.141 0.000 1.425 164 I CB 0.842 38.733 38.000 -0.182 0.000 1.383 164 I HN 0.728 nan 8.210 nan 0.000 0.562 165 L N 4.809 125.945 121.223 -0.145 0.000 2.445 165 L HA 0.175 4.515 4.340 0.000 0.000 0.207 165 L C 0.562 177.359 176.870 -0.121 0.000 1.053 165 L CA 0.303 55.081 54.840 -0.103 0.000 0.841 165 L CB 0.062 42.080 42.059 -0.069 0.000 1.074 165 L HN 0.784 nan 8.230 nan 0.000 0.479 166 S N -1.372 114.222 115.700 -0.175 0.000 2.587 166 S HA 0.693 5.163 4.470 0.000 0.000 0.269 166 S C -1.100 173.342 174.600 -0.262 0.000 1.154 166 S CA -0.781 57.319 58.200 -0.166 0.000 0.824 166 S CB 2.341 65.492 63.200 -0.082 0.000 1.118 166 S HN -0.206 nan 8.310 nan 0.000 0.462 167 V N 1.025 120.795 119.914 -0.241 0.000 2.686 167 V HA 0.646 4.766 4.120 0.000 0.000 0.306 167 V C -0.714 175.333 176.094 -0.078 0.000 1.065 167 V CA -0.685 61.442 62.300 -0.289 0.000 0.894 167 V CB 1.983 33.450 31.823 -0.592 0.000 1.004 167 V HN 0.932 nan 8.190 nan 0.000 0.424 168 R N 2.108 122.599 120.500 -0.015 0.000 2.409 168 R HA 0.673 5.013 4.340 0.000 0.000 0.313 168 R C 0.080 176.352 176.300 -0.047 0.000 0.953 168 R CA -0.312 55.793 56.100 0.009 0.000 0.849 168 R CB 2.082 32.389 30.300 0.013 0.000 1.171 168 R HN 0.946 nan 8.270 nan 0.000 0.458 169 G N 2.233 110.927 108.800 -0.177 0.000 2.368 169 G HA2 0.341 4.301 3.960 0.000 0.000 0.320 169 G HA3 0.341 4.301 3.960 0.000 0.000 0.320 169 G C -0.691 173.944 174.900 -0.441 0.000 1.158 169 G CA -0.367 44.382 45.100 -0.584 0.000 0.912 169 G HN 0.371 nan 8.290 nan 0.000 0.456 170 E N 1.679 121.622 120.200 -0.428 0.000 2.185 170 E HA 0.362 4.713 4.350 0.000 0.000 0.261 170 E C -1.664 174.819 176.600 -0.194 0.000 0.879 170 E CA -0.578 55.684 56.400 -0.231 0.000 0.756 170 E CB 2.545 32.164 29.700 -0.134 0.000 1.152 170 E HN 0.387 nan 8.360 nan 0.000 0.416 171 F N 1.536 121.327 119.950 -0.266 0.000 2.540 171 F HA 0.660 5.187 4.527 0.000 0.000 0.317 171 F C 0.297 175.997 175.800 -0.166 0.000 1.104 171 F CA 0.273 58.173 58.000 -0.166 0.000 0.913 171 F CB 1.674 40.656 39.000 -0.031 0.000 1.170 171 F HN 0.596 nan 8.300 nan 0.000 0.450 172 G N 3.471 111.605 108.800 -1.109 0.000 2.353 172 G HA2 0.261 4.221 3.960 0.000 0.000 0.615 172 G HA3 0.261 4.221 3.960 0.000 0.000 0.615 172 G C -2.111 172.646 174.900 -0.237 0.000 1.280 172 G CA -0.337 44.227 45.100 -0.893 0.000 1.000 172 G HN 1.652 nan 8.290 nan 0.000 0.516 173 Y N -4.179 116.030 120.300 -0.151 0.000 2.750 173 Y HA 0.692 5.243 4.550 0.000 0.000 0.335 173 Y C -0.902 175.035 175.900 0.062 0.000 1.252 173 Y CA -2.008 56.085 58.100 -0.012 0.000 1.064 173 Y CB 0.805 39.263 38.460 -0.003 0.000 1.321 173 Y HN 0.998 nan 8.280 nan 0.000 0.451 174 W N 3.836 125.177 121.300 0.068 0.000 2.485 174 W HA 0.541 5.201 4.660 0.000 0.000 0.315 174 W C -1.334 175.017 176.519 -0.281 0.000 1.304 174 W CA -0.501 56.753 57.345 -0.152 0.000 1.345 174 W CB 1.219 30.524 29.460 -0.259 0.000 1.368 174 W HN 0.450 nan 8.180 nan 0.000 0.497 175 V N 8.819 128.439 119.914 -0.489 0.000 2.385 175 V HA 0.070 4.190 4.120 0.000 0.000 0.269 175 V C 0.262 176.173 176.094 -0.304 0.000 1.043 175 V CA -0.631 61.479 62.300 -0.317 0.000 0.906 175 V CB -0.171 31.448 31.823 -0.340 0.000 0.995 175 V HN 0.207 nan 8.190 nan 0.000 0.467 176 F N 2.799 122.878 119.950 0.216 0.000 2.563 176 F HA 0.103 4.630 4.527 0.000 0.000 0.363 176 F C 1.497 177.356 175.800 0.098 0.000 1.123 176 F CA -0.045 58.136 58.000 0.301 0.000 1.307 176 F CB 0.326 39.476 39.000 0.251 0.000 1.115 176 F HN 0.531 nan 8.300 nan 0.000 0.592 177 E N 1.305 121.706 120.200 0.335 0.000 2.409 177 E HA 0.059 4.409 4.350 0.000 0.000 0.198 177 E C 1.903 178.600 176.600 0.162 0.000 1.024 177 E CA 0.953 57.435 56.400 0.136 0.000 0.861 177 E CB -0.243 29.560 29.700 0.173 0.000 0.788 177 E HN 0.930 nan 8.360 nan 0.000 0.521 178 G N -0.580 108.309 108.800 0.148 0.000 2.179 178 G HA2 -0.309 3.652 3.960 0.000 0.000 0.260 178 G HA3 -0.309 3.652 3.960 0.000 0.000 0.260 178 G C 1.052 175.724 174.900 -0.380 0.000 0.977 178 G CA 0.313 45.438 45.100 0.041 0.000 0.641 178 G HN 0.512 nan 8.290 nan 0.000 0.533 179 G N -0.279 108.255 108.800 -0.444 0.000 2.484 179 G HA2 0.020 3.980 3.960 0.000 0.000 0.215 179 G HA3 0.020 3.980 3.960 0.000 0.000 0.215 179 G C 1.356 175.581 174.900 -1.126 0.000 1.219 179 G CA 1.533 45.965 45.100 -1.114 0.000 0.791 179 G HN 0.654 nan 8.290 nan 0.000 0.550 180 W N -0.191 121.013 121.300 -0.160 0.000 2.842 180 W HA 0.440 5.100 4.660 0.000 0.000 0.267 180 W C 1.168 177.586 176.519 -0.170 0.000 1.219 180 W CA -0.465 56.788 57.345 -0.154 0.000 1.458 180 W CB 0.745 30.137 29.460 -0.113 0.000 1.006 180 W HN 0.052 nan 8.180 nan 0.000 0.603 181 Q N 0.882 120.680 119.800 -0.003 0.000 2.377 181 Q HA 0.206 4.546 4.340 0.000 0.000 0.271 181 Q C -0.583 175.396 176.000 -0.036 0.000 1.077 181 Q CA -0.847 54.877 55.803 -0.132 0.000 0.820 181 Q CB 2.526 30.947 28.738 -0.529 0.000 1.347 181 Q HN -0.095 nan 8.270 nan 0.000 0.444 182 E N 0.943 121.131 120.200 -0.021 0.000 2.376 182 E HA 0.174 4.524 4.350 0.000 0.000 0.266 182 E C -0.844 175.840 176.600 0.140 0.000 1.009 182 E CA -0.183 56.246 56.400 0.047 0.000 0.902 182 E CB 0.756 30.479 29.700 0.037 0.000 0.972 182 E HN 0.624 nan 8.360 nan 0.000 0.439 183 A N 4.171 127.080 122.820 0.148 0.000 2.454 183 A HA 0.002 4.323 4.320 0.000 0.000 0.260 183 A C 0.690 178.363 177.584 0.148 0.000 1.106 183 A CA -0.137 51.999 52.037 0.165 0.000 0.780 183 A CB 0.380 19.428 19.000 0.079 0.000 1.044 183 A HN 0.744 nan 8.150 nan 0.000 0.498 184 Q N 0.786 120.701 119.800 0.191 0.000 2.437 184 Q HA -0.056 4.284 4.340 0.000 0.000 0.210 184 Q C 0.418 176.464 176.000 0.076 0.000 0.972 184 Q CA 1.225 57.127 55.803 0.166 0.000 0.903 184 Q CB -0.021 28.875 28.738 0.264 0.000 0.967 184 Q HN 0.706 nan 8.270 nan 0.000 0.486 185 R N -0.053 120.457 120.500 0.016 0.000 2.807 185 R HA 0.439 4.779 4.340 0.000 0.000 0.276 185 R C -2.638 173.655 176.300 -0.011 0.000 0.979 185 R CA -2.290 53.774 56.100 -0.060 0.000 0.928 185 R CB 1.042 31.197 30.300 -0.241 0.000 1.191 185 R HN -0.138 nan 8.270 nan 0.000 0.471 186 P HA -0.017 nan 4.420 nan 0.000 0.269 186 P C 0.306 177.543 177.300 -0.106 0.000 1.209 186 P CA 0.057 63.124 63.100 -0.055 0.000 0.776 186 P CB 0.805 32.490 31.700 -0.024 0.000 0.876 187 S N 1.860 117.576 115.700 0.026 0.000 2.481 187 S HA -0.105 4.365 4.470 0.000 0.000 0.231 187 S C 1.611 176.196 174.600 -0.024 0.000 0.996 187 S CA 0.039 58.284 58.200 0.075 0.000 0.942 187 S CB -0.979 62.165 63.200 -0.095 0.000 0.768 187 S HN 0.726 nan 8.310 nan 0.000 0.520 188 W N 2.511 123.761 121.300 -0.083 0.000 2.465 188 W HA 0.052 4.712 4.660 0.000 0.000 0.268 188 W C 0.847 177.272 176.519 -0.157 0.000 1.242 188 W CA 0.372 57.647 57.345 -0.117 0.000 1.248 188 W CB -1.092 28.309 29.460 -0.098 0.000 1.118 188 W HN 0.208 nan 8.180 nan 0.000 0.587 189 N N 0.846 118.884 118.700 -1.103 0.000 2.443 189 N HA -0.175 4.565 4.740 0.000 0.000 0.184 189 N C 0.435 175.343 175.510 -1.004 0.000 1.037 189 N CA 1.345 53.585 53.050 -1.350 0.000 0.896 189 N CB -0.516 36.936 38.487 -1.724 0.000 0.959 189 N HN 0.361 nan 8.380 nan 0.000 0.442 190 Y N -0.264 119.961 120.300 -0.126 0.000 2.481 190 Y HA 0.323 4.873 4.550 0.000 0.000 0.247 190 Y C 0.307 176.284 175.900 0.128 0.000 1.151 190 Y CA -0.321 57.802 58.100 0.039 0.000 1.238 190 Y CB 0.570 39.099 38.460 0.116 0.000 1.179 190 Y HN -0.256 nan 8.280 nan 0.000 0.524 191 R N 0.665 121.257 120.500 0.153 0.000 2.338 191 R HA 0.140 4.480 4.340 0.000 0.000 0.317 191 R C 0.137 176.510 176.300 0.122 0.000 0.968 191 R CA -0.321 55.863 56.100 0.140 0.000 0.849 191 R CB 1.364 31.710 30.300 0.076 0.000 1.128 191 R HN 0.035 nan 8.270 nan 0.000 0.448 192 D N 2.599 123.065 120.400 0.110 0.000 2.117 192 D HA -0.205 4.435 4.640 0.000 0.000 0.197 192 D C 1.573 177.920 176.300 0.077 0.000 0.987 192 D CA 1.588 55.644 54.000 0.093 0.000 0.829 192 D CB 0.533 41.378 40.800 0.074 0.000 0.961 192 D HN 0.628 nan 8.370 nan 0.000 0.460 193 E N 0.195 120.432 120.200 0.062 0.000 2.118 193 E HA -0.200 4.150 4.350 0.000 0.000 0.195 193 E C 0.879 177.501 176.600 0.036 0.000 0.992 193 E CA 1.141 57.564 56.400 0.038 0.000 0.804 193 E CB -0.562 29.154 29.700 0.026 0.000 0.741 193 E HN 0.332 nan 8.360 nan 0.000 0.458 194 D N 0.543 120.985 120.400 0.070 0.000 2.336 194 D HA 0.151 4.792 4.640 0.000 0.000 0.229 194 D C 0.811 177.176 176.300 0.109 0.000 1.061 194 D CA 0.912 54.954 54.000 0.070 0.000 0.875 194 D CB 0.188 41.075 40.800 0.146 0.000 0.904 194 D HN 0.435 nan 8.370 nan 0.000 0.525 195 G N 0.161 109.036 108.800 0.125 0.000 2.176 195 G HA2 -0.185 3.775 3.960 0.000 0.000 0.252 195 G HA3 -0.185 3.775 3.960 0.000 0.000 0.252 195 G C 0.743 175.850 174.900 0.345 0.000 1.024 195 G CA 0.019 45.210 45.100 0.152 0.000 0.755 195 G HN 0.572 nan 8.290 nan 0.000 0.507 196 G N -1.046 107.949 108.800 0.324 0.000 2.599 196 G HA2 0.829 4.789 3.960 0.000 0.000 0.264 196 G HA3 0.829 4.789 3.960 0.000 0.000 0.264 196 G C 0.533 175.480 174.900 0.079 0.000 1.200 196 G CA 0.269 45.458 45.100 0.148 0.000 0.896 196 G HN 1.930 nan 8.290 nan 0.000 0.536 197 G N -0.857 107.941 108.800 -0.003 0.000 2.542 197 G HA2 0.051 4.011 3.960 0.000 0.000 0.391 197 G HA3 0.051 4.011 3.960 0.000 0.000 0.391 197 G C 0.420 175.361 174.900 0.068 0.000 1.551 197 G CA -0.103 45.037 45.100 0.067 0.000 0.946 197 G HN 0.859 nan 8.290 nan 0.000 0.662 198 I N 1.974 122.594 120.570 0.084 0.000 2.439 198 I HA -0.016 4.154 4.170 0.000 0.000 0.251 198 I C 2.433 178.523 176.117 -0.045 0.000 1.139 198 I CA 0.795 62.117 61.300 0.037 0.000 1.438 198 I CB -0.092 37.820 38.000 -0.146 0.000 1.085 198 I HN 0.662 nan 8.210 nan 0.000 0.427 199 I N 0.850 121.413 120.570 -0.012 0.000 2.113 199 I HA -0.318 3.852 4.170 0.000 0.000 0.238 199 I C 2.452 178.566 176.117 -0.006 0.000 1.070 199 I CA 1.809 63.108 61.300 -0.003 0.000 1.332 199 I CB -0.403 37.633 38.000 0.061 0.000 1.044 199 I HN 0.315 nan 8.210 nan 0.000 0.402 200 L N -1.058 120.183 121.223 0.030 0.000 2.291 200 L HA 0.064 4.404 4.340 0.000 0.000 0.214 200 L C 1.233 178.092 176.870 -0.019 0.000 1.120 200 L CA 0.723 55.573 54.840 0.017 0.000 0.799 200 L CB -0.524 41.566 42.059 0.052 0.000 0.925 200 L HN 0.120 nan 8.230 nan 0.000 0.446 204 C N 0.730 119.888 119.300 -0.237 0.000 2.422 204 C HA -0.134 4.326 4.460 0.000 0.000 0.279 204 C C 2.515 177.298 174.990 -0.344 0.000 1.305 204 C CA 1.794 60.678 59.018 -0.223 0.000 1.757 204 C CB -1.019 26.595 27.740 -0.209 0.000 1.962 204 C HN 0.691 nan 8.230 nan 0.000 0.499 205 H N -1.661 117.086 119.070 -0.537 0.000 2.403 205 H HA -0.053 4.503 4.556 0.000 0.000 0.298 205 H C 2.111 176.925 175.328 -0.856 0.000 1.059 205 H CA 1.775 57.333 56.048 -0.818 0.000 1.363 205 H CB -0.576 28.582 29.762 -1.007 0.000 1.410 205 H HN 0.747 nan 8.280 nan 0.000 0.528 206 W N 1.105 122.205 121.300 -0.333 0.000 2.519 206 W HA -0.075 4.585 4.660 0.000 0.000 0.266 206 W C 2.656 178.925 176.519 -0.418 0.000 1.253 206 W CA -0.085 57.037 57.345 -0.371 0.000 1.274 206 W CB 0.095 29.367 29.460 -0.314 0.000 1.114 206 W HN 0.046 nan 8.180 nan 0.000 0.596 207 R N 1.471 121.891 120.500 -0.134 0.000 2.080 207 R HA -0.260 4.080 4.340 0.000 0.000 0.236 207 R C 2.164 178.436 176.300 -0.046 0.000 1.137 207 R CA 2.502 58.552 56.100 -0.083 0.000 0.943 207 R CB -1.309 28.987 30.300 -0.007 0.000 0.846 207 R HN 0.439 nan 8.270 nan 0.000 0.431 208 Y N -1.820 118.476 120.300 -0.006 0.000 2.475 208 Y HA 0.187 4.738 4.550 0.000 0.000 0.289 208 Y C 1.759 177.625 175.900 -0.057 0.000 1.121 208 Y CA 0.232 58.320 58.100 -0.019 0.000 1.257 208 Y CB -0.783 37.666 38.460 -0.019 0.000 1.026 208 Y HN -0.133 nan 8.280 nan 0.000 0.555 209 V N 1.105 120.875 119.914 -0.240 0.000 2.358 209 V HA -0.237 3.883 4.120 0.000 0.000 0.246 209 V C 2.438 178.398 176.094 -0.224 0.000 1.047 209 V CA 1.853 64.039 62.300 -0.190 0.000 1.035 209 V CB -0.511 31.207 31.823 -0.175 0.000 0.658 209 V HN 0.486 nan 8.190 nan 0.000 0.452 210 L N -0.667 120.466 121.223 -0.150 0.000 2.049 210 L HA -0.094 4.247 4.340 0.000 0.000 0.203 210 L C 2.416 179.248 176.870 -0.064 0.000 1.074 210 L CA 1.428 56.222 54.840 -0.077 0.000 0.749 210 L CB -0.792 41.178 42.059 -0.149 0.000 0.907 210 L HN 0.274 nan 8.230 nan 0.000 0.439 211 D N 0.303 120.677 120.400 -0.044 0.000 2.126 211 D HA -0.208 4.432 4.640 0.000 0.000 0.190 211 D C 1.959 178.232 176.300 -0.044 0.000 1.001 211 D CA 1.313 55.306 54.000 -0.012 0.000 0.841 211 D CB -0.324 40.493 40.800 0.029 0.000 0.949 211 D HN 0.277 nan 8.370 nan 0.000 0.446 212 N N -0.064 118.599 118.700 -0.062 0.000 2.171 212 N HA -0.023 4.718 4.740 0.000 0.000 0.184 212 N C 2.085 177.469 175.510 -0.210 0.000 1.021 212 N CA 0.502 53.502 53.050 -0.083 0.000 0.854 212 N CB 0.013 38.492 38.487 -0.014 0.000 0.994 212 N HN 0.237 nan 8.380 nan 0.000 0.426 213 L N -0.988 119.969 121.223 -0.443 0.000 2.162 213 L HA 0.063 4.403 4.340 0.000 0.000 0.205 213 L C 1.201 177.622 176.870 -0.749 0.000 1.086 213 L CA 0.864 55.216 54.840 -0.814 0.000 0.778 213 L CB -0.066 41.062 42.059 -1.552 0.000 0.928 213 L HN 0.033 nan 8.230 nan 0.000 0.446 214 F N -1.089 118.812 119.950 -0.083 0.000 2.699 214 F HA 0.509 5.036 4.527 0.000 0.000 0.295 214 F C 0.922 176.687 175.800 -0.058 0.000 1.052 214 F CA -0.130 57.817 58.000 -0.087 0.000 1.239 214 F CB 0.235 39.160 39.000 -0.125 0.000 1.018 214 F HN -0.075 nan 8.300 nan 0.000 0.627 215 G N 0.328 109.185 108.800 0.095 0.000 2.352 215 G HA2 0.089 4.049 3.960 0.000 0.000 0.303 215 G HA3 0.089 4.049 3.960 0.000 0.000 0.303 215 G C -1.539 173.388 174.900 0.045 0.000 1.593 215 G CA -1.274 43.862 45.100 0.059 0.000 0.963 215 G HN 0.056 nan 8.290 nan 0.000 0.685 216 N N -0.607 118.113 118.700 0.034 0.000 2.412 216 N HA 0.300 5.040 4.740 0.000 0.000 0.254 216 N C 0.635 176.176 175.510 0.051 0.000 1.232 216 N CA -0.102 52.969 53.050 0.035 0.000 0.880 216 N CB 1.255 39.762 38.487 0.034 0.000 1.076 216 N HN 0.404 nan 8.380 nan 0.000 0.458 217 V N 2.425 122.370 119.914 0.052 0.000 2.572 217 V HA -0.028 4.092 4.120 0.000 0.000 0.291 217 V C 0.948 177.106 176.094 0.106 0.000 1.039 217 V CA 0.460 62.814 62.300 0.090 0.000 1.055 217 V CB 1.079 32.949 31.823 0.078 0.000 0.969 217 V HN 0.800 nan 8.190 nan 0.000 0.482 218 Q N 2.405 122.286 119.800 0.135 0.000 2.471 218 Q HA 0.201 4.541 4.340 0.000 0.000 0.241 218 Q C 0.535 176.622 176.000 0.146 0.000 0.886 218 Q CA 0.531 56.400 55.803 0.109 0.000 0.953 218 Q CB 1.151 29.933 28.738 0.073 0.000 1.108 218 Q HN 0.894 nan 8.270 nan 0.000 0.575 219 S N -0.899 114.941 115.700 0.233 0.000 2.638 219 S HA 0.721 5.191 4.470 0.000 0.000 0.274 219 S C -1.232 173.650 174.600 0.470 0.000 1.157 219 S CA -0.809 57.591 58.200 0.332 0.000 0.826 219 S CB 2.311 65.719 63.200 0.347 0.000 1.139 219 S HN 0.010 nan 8.310 nan 0.000 0.474 220 V N 0.289 120.422 119.914 0.366 0.000 2.969 220 V HA 0.833 4.954 4.120 0.000 0.000 0.304 220 V C -1.573 174.241 176.094 -0.467 0.000 1.192 220 V CA -0.459 61.803 62.300 -0.064 0.000 0.962 220 V CB 1.793 33.581 31.823 -0.057 0.000 1.045 220 V HN 1.181 nan 8.190 nan 0.000 0.428 221 V N 6.434 125.681 119.914 -1.112 0.000 2.604 221 V HA 0.860 4.980 4.120 0.000 0.000 0.305 221 V C -0.698 174.991 176.094 -0.676 0.000 1.043 221 V CA -0.080 61.598 62.300 -1.037 0.000 0.888 221 V CB 1.564 32.338 31.823 -1.749 0.000 0.995 221 V HN 1.264 nan 8.190 nan 0.000 0.429 222 C N 7.021 126.076 119.300 -0.409 0.000 2.880 222 C HA 0.716 5.176 4.460 0.000 0.000 0.320 222 C C -1.070 173.772 174.990 -0.246 0.000 1.176 222 C CA -0.650 58.187 59.018 -0.302 0.000 1.390 222 C CB 0.969 28.575 27.740 -0.223 0.000 1.846 222 C HN 0.987 nan 8.230 nan 0.000 0.478 223 I N 3.724 124.103 120.570 -0.318 0.000 2.582 223 I HA 0.708 4.878 4.170 0.000 0.000 0.292 223 I C 0.208 175.843 176.117 -0.803 0.000 1.066 223 I CA 0.077 61.014 61.300 -0.605 0.000 1.053 223 I CB 1.942 39.725 38.000 -0.362 0.000 1.241 223 I HN 0.860 nan 8.210 nan 0.000 0.421 224 G N 4.009 111.703 108.800 -1.843 0.000 2.537 224 G HA2 0.519 4.479 3.960 0.000 0.000 0.323 224 G HA3 0.519 4.479 3.960 0.000 0.000 0.323 224 G C -1.629 172.732 174.900 -0.897 0.000 1.207 224 G CA -0.514 43.719 45.100 -1.446 0.000 0.976 224 G HN 0.590 nan 8.290 nan 0.000 0.487 225 N N -1.803 116.706 118.700 -0.317 0.000 2.591 225 N HA 0.459 5.199 4.740 0.000 0.000 0.263 225 N C -1.193 174.363 175.510 0.078 0.000 1.308 225 N CA -0.499 52.548 53.050 -0.005 0.000 0.837 225 N CB 2.135 40.642 38.487 0.034 0.000 1.548 225 N HN 0.272 nan 8.380 nan 0.000 0.493 226 T N 1.617 116.250 114.554 0.131 0.000 2.891 226 T HA 0.200 4.550 4.350 0.000 0.000 0.315 226 T C 0.036 174.775 174.700 0.066 0.000 1.054 226 T CA -0.262 61.902 62.100 0.107 0.000 0.958 226 T CB 0.343 69.285 68.868 0.123 0.000 1.008 226 T HN 0.377 nan 8.240 nan 0.000 0.521 227 D N 1.978 122.400 120.400 0.036 0.000 2.123 227 D HA 0.003 4.644 4.640 0.000 0.000 0.200 227 D C 0.607 176.915 176.300 0.012 0.000 0.976 227 D CA 0.941 54.953 54.000 0.019 0.000 0.831 227 D CB 0.285 41.073 40.800 -0.021 0.000 0.974 227 D HN 0.377 nan 8.370 nan 0.000 0.469 228 I N 1.641 122.201 120.570 -0.017 0.000 2.354 228 I HA 0.160 4.330 4.170 0.000 0.000 0.286 228 I C -1.704 174.391 176.117 -0.038 0.000 1.007 228 I CA -2.207 59.074 61.300 -0.032 0.000 1.167 228 I CB 1.335 39.278 38.000 -0.095 0.000 1.320 228 I HN -0.245 nan 8.210 nan 0.000 0.458 229 P HA -0.012 nan 4.420 nan 0.000 0.219 229 P C 0.137 177.374 177.300 -0.105 0.000 1.150 229 P CA 1.096 64.174 63.100 -0.035 0.000 0.814 229 P CB 0.681 32.369 31.700 -0.020 0.000 0.787 230 E N -0.875 119.223 120.200 -0.170 0.000 2.275 230 E HA 0.454 4.804 4.350 0.000 0.000 0.270 230 E C -0.367 175.967 176.600 -0.444 0.000 0.882 230 E CA -0.650 55.553 56.400 -0.327 0.000 0.758 230 E CB 1.944 31.481 29.700 -0.271 0.000 1.195 230 E HN -0.128 nan 8.360 nan 0.000 0.419 231 R N 1.816 121.825 120.500 -0.818 0.000 3.045 231 R HA 0.601 4.941 4.340 0.000 0.000 0.245 231 R C -1.127 174.585 176.300 -0.980 0.000 1.333 231 R CA -0.839 54.808 56.100 -0.756 0.000 1.036 231 R CB 1.180 31.058 30.300 -0.702 0.000 1.340 231 R HN 0.281 nan 8.270 nan 0.000 0.488 232 F N 0.439 120.212 119.950 -0.294 0.000 2.529 232 F HA 0.257 4.784 4.527 0.000 0.000 0.320 232 F C -0.029 175.921 175.800 0.250 0.000 1.118 232 F CA -0.769 57.221 58.000 -0.016 0.000 0.915 232 F CB 1.696 40.652 39.000 -0.073 0.000 1.161 232 F HN 0.394 nan 8.300 nan 0.000 0.445 233 D N 1.505 122.186 120.400 0.467 0.000 2.405 233 D HA -0.079 4.561 4.640 0.000 0.000 0.232 233 D C 0.893 177.312 176.300 0.199 0.000 1.240 233 D CA 0.912 55.079 54.000 0.278 0.000 0.881 233 D CB 0.607 41.520 40.800 0.188 0.000 1.222 233 D HN 0.597 nan 8.370 nan 0.000 0.482 234 E N -0.163 120.113 120.200 0.127 0.000 2.409 234 E HA -0.133 4.217 4.350 0.000 0.000 0.198 234 E C 0.932 177.582 176.600 0.083 0.000 1.024 234 E CA 0.909 57.367 56.400 0.097 0.000 0.861 234 E CB 0.118 29.864 29.700 0.076 0.000 0.788 234 E HN 0.316 nan 8.360 nan 0.000 0.521 235 Q N -1.642 118.213 119.800 0.091 0.000 2.217 235 Q HA 0.317 4.658 4.340 0.000 0.000 0.217 235 Q C 0.793 176.850 176.000 0.095 0.000 0.844 235 Q CA 0.431 56.280 55.803 0.076 0.000 0.957 235 Q CB 1.574 30.349 28.738 0.061 0.000 1.127 235 Q HN 0.230 nan 8.270 nan 0.000 0.503 236 G N 0.381 109.267 108.800 0.144 0.000 2.176 236 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 236 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 236 G C -0.041 175.049 174.900 0.316 0.000 0.986 236 G CA -0.403 44.810 45.100 0.187 0.000 0.643 236 G HN 0.170 nan 8.290 nan 0.000 0.522 237 K N 0.721 121.264 120.400 0.238 0.000 2.270 237 K HA 0.352 4.673 4.320 0.000 0.000 0.276 237 K C 0.507 177.137 176.600 0.050 0.000 1.023 237 K CA -0.381 56.007 56.287 0.169 0.000 0.955 237 K CB 1.083 33.649 32.500 0.109 0.000 0.975 237 K HN 0.187 nan 8.250 nan 0.000 0.471 238 K N 3.081 123.342 120.400 -0.233 0.000 2.350 238 K HA 0.069 4.390 4.320 0.000 0.000 0.279 238 K C -1.119 175.327 176.600 -0.257 0.000 1.027 238 K CA -0.110 55.758 56.287 -0.699 0.000 0.969 238 K CB 0.382 32.476 32.500 -0.677 0.000 0.954 238 K HN 0.468 nan 8.250 nan 0.000 0.474 239 Y N 0.507 120.616 120.300 -0.319 0.000 2.524 239 Y HA 0.390 4.940 4.550 0.000 0.000 0.347 239 Y C -0.960 174.860 175.900 -0.134 0.000 1.005 239 Y CA -1.683 56.321 58.100 -0.159 0.000 1.025 239 Y CB 0.773 39.181 38.460 -0.087 0.000 1.275 239 Y HN 0.342 nan 8.280 nan 0.000 0.460 240 K N 2.565 122.997 120.400 0.053 0.000 2.412 240 K HA 0.559 4.879 4.320 0.000 0.000 0.284 240 K C -0.502 176.192 176.600 0.158 0.000 1.046 240 K CA 0.333 56.634 56.287 0.024 0.000 0.999 240 K CB 0.143 32.667 32.500 0.041 0.000 0.941 240 K HN 0.888 nan 8.250 nan 0.000 0.474 241 A N 3.875 126.726 122.820 0.051 0.000 2.320 241 A HA 0.332 4.652 4.320 0.000 0.000 0.287 241 A C 0.781 178.454 177.584 0.148 0.000 1.181 241 A CA 0.017 52.158 52.037 0.175 0.000 0.831 241 A CB 0.251 19.297 19.000 0.077 0.000 1.102 241 A HN 0.956 nan 8.150 nan 0.000 0.513 242 T N -0.486 114.174 114.554 0.177 0.000 2.964 242 T HA 0.476 4.826 4.350 0.000 0.000 0.250 242 T C 0.943 175.727 174.700 0.141 0.000 0.982 242 T CA 0.678 62.858 62.100 0.132 0.000 0.959 242 T CB -0.452 68.479 68.868 0.105 0.000 1.141 242 T HN 1.234 nan 8.240 nan 0.000 0.494 243 A N 3.455 126.370 122.820 0.157 0.000 2.448 243 A HA 0.427 4.747 4.320 0.000 0.000 0.239 243 A C 0.357 178.054 177.584 0.190 0.000 1.080 243 A CA -0.292 51.837 52.037 0.154 0.000 0.779 243 A CB -0.166 18.897 19.000 0.105 0.000 1.026 243 A HN 0.642 nan 8.150 nan 0.000 0.499 244 D N 0.832 121.364 120.400 0.219 0.000 2.414 244 D HA 0.090 4.730 4.640 0.000 0.000 0.242 244 D C -0.443 175.940 176.300 0.139 0.000 1.129 244 D CA 0.211 54.324 54.000 0.189 0.000 0.885 244 D CB 0.968 41.873 40.800 0.175 0.000 1.198 244 D HN 0.537 nan 8.370 nan 0.000 0.437 245 D N -0.781 119.685 120.400 0.109 0.000 2.469 245 D HA 0.065 4.705 4.640 0.000 0.000 0.213 245 D C -0.467 175.797 176.300 -0.060 0.000 1.135 245 D CA -0.365 53.728 54.000 0.156 0.000 0.834 245 D CB 0.312 41.248 40.800 0.225 0.000 1.009 245 D HN 0.178 nan 8.370 nan 0.000 0.507 246 S N -0.671 114.938 115.700 -0.152 0.000 2.541 246 S HA 0.849 5.320 4.470 0.000 0.000 0.271 246 S C -1.128 173.199 174.600 -0.455 0.000 1.133 246 S CA -0.629 57.370 58.200 -0.336 0.000 0.876 246 S CB 2.159 65.210 63.200 -0.249 0.000 1.105 246 S HN 0.458 nan 8.310 nan 0.000 0.470 247 A N 1.448 123.841 122.820 -0.710 0.000 2.606 247 A HA 0.851 5.171 4.320 0.000 0.000 0.293 247 A C -2.353 174.685 177.584 -0.912 0.000 1.082 247 A CA -0.755 50.888 52.037 -0.657 0.000 0.685 247 A CB 1.166 19.941 19.000 -0.374 0.000 1.284 247 A HN 0.770 nan 8.150 nan 0.000 0.408 248 Y N -0.205 119.949 120.300 -0.243 0.000 2.315 248 Y HA 0.629 5.179 4.550 0.000 0.000 0.324 248 Y C 0.167 175.920 175.900 -0.245 0.000 1.062 248 Y CA -0.337 57.647 58.100 -0.194 0.000 1.159 248 Y CB 2.094 40.500 38.460 -0.090 0.000 1.145 248 Y HN 1.019 nan 8.280 nan 0.000 0.442 249 A N 2.068 124.710 122.820 -0.297 0.000 2.359 249 A HA 0.848 5.168 4.320 0.000 0.000 0.303 249 A C -0.664 176.577 177.584 -0.572 0.000 1.066 249 A CA -0.718 51.023 52.037 -0.494 0.000 0.730 249 A CB 1.001 19.673 19.000 -0.548 0.000 1.211 249 A HN 0.523 nan 8.150 nan 0.000 0.439 250 T N 1.894 116.140 114.554 -0.514 0.000 2.859 250 T HA 0.719 5.069 4.350 0.000 0.000 0.281 250 T C -0.898 173.535 174.700 -0.446 0.000 1.005 250 T CA 0.068 62.043 62.100 -0.208 0.000 1.025 250 T CB 0.475 69.361 68.868 0.031 0.000 0.977 250 T HN 0.358 nan 8.240 nan 0.000 0.458 251 F N 0.925 120.981 119.950 0.177 0.000 2.565 251 F HA 0.442 4.969 4.527 0.000 0.000 0.313 251 F C 0.359 176.327 175.800 0.281 0.000 1.091 251 F CA -1.103 57.037 58.000 0.232 0.000 0.915 251 F CB 2.031 41.099 39.000 0.113 0.000 1.208 251 F HN 0.314 nan 8.300 nan 0.000 0.453 252 Q N 3.485 123.573 119.800 0.480 0.000 2.307 252 Q HA 0.640 4.980 4.340 0.000 0.000 0.262 252 Q C -1.150 174.962 176.000 0.186 0.000 0.961 252 Q CA -0.606 55.336 55.803 0.232 0.000 0.882 252 Q CB 2.280 31.059 28.738 0.068 0.000 1.264 252 Q HN 0.551 nan 8.270 nan 0.000 0.446 253 L N 1.178 122.475 121.223 0.123 0.000 2.334 253 L HA 0.432 4.772 4.340 0.000 0.000 0.272 253 L C 0.275 177.178 176.870 0.055 0.000 1.020 253 L CA -0.935 53.959 54.840 0.090 0.000 0.812 253 L CB 1.363 43.472 42.059 0.084 0.000 1.264 253 L HN 0.574 nan 8.230 nan 0.000 0.439 254 E N 0.759 120.988 120.200 0.048 0.000 2.502 254 E HA 0.163 4.513 4.350 0.000 0.000 0.261 254 E C 0.829 177.444 176.600 0.024 0.000 0.974 254 E CA 1.238 57.657 56.400 0.031 0.000 0.936 254 E CB 0.331 30.049 29.700 0.030 0.000 0.926 254 E HN 0.810 nan 8.360 nan 0.000 0.459 255 G N 2.724 111.532 108.800 0.012 0.000 2.131 255 G HA2 -0.208 3.752 3.960 0.000 0.000 0.223 255 G HA3 -0.208 3.752 3.960 0.000 0.000 0.223 255 G C 0.630 175.528 174.900 -0.004 0.000 0.990 255 G CA 0.061 45.164 45.100 0.005 0.000 0.671 255 G HN 1.371 nan 8.290 nan 0.000 0.521 256 G N -2.018 106.779 108.800 -0.006 0.000 2.333 256 G HA2 0.124 4.084 3.960 0.000 0.000 0.296 256 G HA3 0.124 4.084 3.960 0.000 0.000 0.296 256 G C 0.027 174.916 174.900 -0.018 0.000 1.059 256 G CA 0.514 45.604 45.100 -0.017 0.000 1.050 256 G HN 1.648 nan 8.290 nan 0.000 0.508 257 V N 1.414 121.325 119.914 -0.006 0.000 2.577 257 V HA 0.586 4.706 4.120 0.000 0.000 0.303 257 V C 0.481 176.582 176.094 0.011 0.000 1.042 257 V CA -0.891 61.397 62.300 -0.019 0.000 0.872 257 V CB 1.994 33.799 31.823 -0.029 0.000 0.998 257 V HN 0.382 nan 8.190 nan 0.000 0.423 258 I N 3.854 124.429 120.570 0.007 0.000 2.359 258 I HA 0.760 4.930 4.170 0.000 0.000 0.294 258 I C 0.293 176.446 176.117 0.059 0.000 0.987 258 I CA -0.391 60.951 61.300 0.070 0.000 1.225 258 I CB 1.812 39.855 38.000 0.072 0.000 1.366 258 I HN 0.710 nan 8.210 nan 0.000 0.466 259 A N 5.119 128.032 122.820 0.154 0.000 2.343 259 A HA 0.609 4.929 4.320 0.000 0.000 0.308 259 A C -1.338 176.420 177.584 0.290 0.000 1.092 259 A CA -0.413 51.706 52.037 0.137 0.000 0.751 259 A CB 0.809 19.858 19.000 0.081 0.000 1.203 259 A HN 0.778 nan 8.150 nan 0.000 0.452 260 H N 1.563 120.687 119.070 0.090 0.000 2.489 260 H HA 0.747 5.303 4.556 0.000 0.000 0.343 260 H C -1.189 174.139 175.328 0.001 0.000 1.086 260 H CA -0.584 55.499 56.048 0.059 0.000 1.198 260 H CB 0.945 30.710 29.762 0.005 0.000 1.490 260 H HN 0.520 nan 8.280 nan 0.000 0.504 261 I N 4.796 124.970 120.570 -0.661 0.000 2.468 261 I HA 0.244 4.415 4.170 0.000 0.000 0.285 261 I C -0.453 175.304 176.117 -0.601 0.000 1.039 261 I CA -0.925 60.045 61.300 -0.551 0.000 1.074 261 I CB 1.530 39.178 38.000 -0.588 0.000 1.228 261 I HN 0.570 nan 8.210 nan 0.000 0.436 265 W N 2.832 123.985 121.300 -0.244 0.000 3.345 265 W HA 0.312 4.972 4.660 0.000 0.000 0.282 265 W C 0.860 177.040 176.519 -0.565 0.000 1.302 265 W CA -0.283 56.830 57.345 -0.386 0.000 1.724 265 W CB 0.596 29.924 29.460 -0.221 0.000 1.104 265 W HN 0.432 nan 8.180 nan 0.000 0.694 266 V N -0.062 119.645 119.914 -0.344 0.000 2.925 266 V HA 0.179 4.299 4.120 0.000 0.000 0.361 266 V C 0.152 176.119 176.094 -0.211 0.000 1.361 266 V CA -0.113 61.801 62.300 -0.642 0.000 1.184 266 V CB 0.236 31.762 31.823 -0.494 0.000 1.245 266 V HN -0.131 nan 8.190 nan 0.000 0.575 267 T N 0.946 115.490 114.554 -0.016 0.000 2.908 267 T HA 0.626 4.976 4.350 0.000 0.000 0.290 267 T C -0.349 174.521 174.700 0.284 0.000 1.034 267 T CA -0.433 61.766 62.100 0.165 0.000 1.010 267 T CB 1.877 70.771 68.868 0.043 0.000 1.068 267 T HN 0.398 nan 8.240 nan 0.000 0.481 268 R N 1.709 122.368 120.500 0.265 0.000 2.540 268 R HA 0.605 4.945 4.340 0.000 0.000 0.287 268 R C -0.810 175.585 176.300 0.159 0.000 0.980 268 R CA -0.756 55.470 56.100 0.211 0.000 0.966 268 R CB 1.536 31.915 30.300 0.131 0.000 1.106 268 R HN 0.393 nan 8.270 nan 0.000 0.480 269 V N 3.866 123.869 119.914 0.149 0.000 2.322 269 V HA 0.068 4.188 4.120 0.000 0.000 0.258 269 V C -0.827 175.360 176.094 0.155 0.000 1.074 269 V CA -0.212 62.160 62.300 0.119 0.000 0.909 269 V CB 0.053 31.922 31.823 0.078 0.000 1.090 269 V HN 0.616 nan 8.190 nan 0.000 0.486 270 Y N 7.618 127.929 120.300 0.018 0.000 2.902 270 Y HA 0.590 5.140 4.550 0.000 0.000 0.353 270 Y C 0.497 176.404 175.900 0.012 0.000 1.116 270 Y CA -0.847 57.261 58.100 0.014 0.000 1.222 270 Y CB -0.115 38.362 38.460 0.028 0.000 1.302 270 Y HN 0.765 nan 8.280 nan 0.000 0.590 271 R N -0.403 120.016 120.500 -0.134 0.000 2.835 271 R HA 0.310 4.650 4.340 0.000 0.000 0.271 271 R C -0.443 175.770 176.300 -0.144 0.000 1.013 271 R CA -0.804 55.218 56.100 -0.130 0.000 0.876 271 R CB 0.342 30.617 30.300 -0.042 0.000 1.348 271 R HN 0.051 nan 8.270 nan 0.000 0.453 272 D N -0.242 120.091 120.400 -0.112 0.000 2.144 272 D HA -0.002 4.638 4.640 0.000 0.000 0.199 272 D C -0.254 176.004 176.300 -0.070 0.000 0.984 272 D CA 1.868 55.809 54.000 -0.099 0.000 0.834 272 D CB 0.089 40.845 40.800 -0.073 0.000 0.955 272 D HN 0.337 nan 8.370 nan 0.000 0.465 273 D N -2.561 117.807 120.400 -0.054 0.000 2.692 273 D HA 0.129 4.769 4.640 0.000 0.000 0.290 273 D C 0.901 177.175 176.300 -0.042 0.000 1.281 273 D CA -0.590 53.388 54.000 -0.038 0.000 0.804 273 D CB 0.497 41.290 40.800 -0.011 0.000 1.331 273 D HN -0.206 nan 8.370 nan 0.000 0.432 274 L N 0.013 121.212 121.223 -0.040 0.000 2.187 274 L HA -0.036 4.304 4.340 0.000 0.000 0.213 274 L C 1.185 177.985 176.870 -0.115 0.000 1.100 274 L CA 1.112 55.914 54.840 -0.063 0.000 0.765 274 L CB -0.087 41.940 42.059 -0.053 0.000 0.904 274 L HN 0.085 nan 8.230 nan 0.000 0.437 275 V N -1.318 118.586 119.914 -0.017 0.000 2.841 275 V HA 0.464 4.584 4.120 0.000 0.000 0.310 275 V C -0.793 175.277 176.094 -0.039 0.000 1.090 275 V CA -0.301 62.005 62.300 0.011 0.000 0.930 275 V CB 2.435 34.446 31.823 0.313 0.000 1.014 275 V HN -0.061 nan 8.190 nan 0.000 0.425 276 T N 6.466 120.908 114.554 -0.186 0.000 2.861 276 T HA 0.684 5.034 4.350 0.000 0.000 0.287 276 T C -1.506 172.982 174.700 -0.354 0.000 1.003 276 T CA -0.035 61.972 62.100 -0.154 0.000 0.977 276 T CB 1.062 69.864 68.868 -0.110 0.000 0.996 276 T HN 0.429 nan 8.240 nan 0.000 0.448 277 F N 2.506 122.465 119.950 0.016 0.000 2.499 277 F HA 0.438 4.965 4.527 0.000 0.000 0.333 277 F C 0.298 176.114 175.800 0.027 0.000 1.138 277 F CA -0.829 57.174 58.000 0.005 0.000 0.945 277 F CB 1.969 41.004 39.000 0.058 0.000 1.181 277 F HN 0.367 nan 8.300 nan 0.000 0.435 278 Q N 3.035 122.929 119.800 0.158 0.000 2.241 278 Q HA 0.706 5.046 4.340 0.000 0.000 0.254 278 Q C -1.600 174.445 176.000 0.075 0.000 0.917 278 Q CA -0.590 55.291 55.803 0.130 0.000 0.919 278 Q CB 1.675 30.459 28.738 0.075 0.000 1.237 278 Q HN 0.521 nan 8.270 nan 0.000 0.434 279 V N 4.400 124.378 119.914 0.106 0.000 2.407 279 V HA 0.309 4.429 4.120 0.000 0.000 0.291 279 V C -0.820 175.265 176.094 -0.016 0.000 1.018 279 V CA -0.861 61.355 62.300 -0.139 0.000 0.842 279 V CB 1.738 33.323 31.823 -0.396 0.000 0.996 279 V HN 0.817 nan 8.190 nan 0.000 0.426 280 D N 3.788 124.137 120.400 -0.084 0.000 2.233 280 D HA 0.616 5.256 4.640 0.000 0.000 0.240 280 D C 0.212 176.480 176.300 -0.054 0.000 1.074 280 D CA 0.190 54.204 54.000 0.023 0.000 0.838 280 D CB 2.756 43.574 40.800 0.029 0.000 1.124 280 D HN 0.726 nan 8.370 nan 0.000 0.475 281 G N 0.244 109.092 108.800 0.079 0.000 2.816 281 G HA2 0.303 4.263 3.960 0.000 0.000 0.288 281 G HA3 0.303 4.263 3.960 0.000 0.000 0.288 281 G C 0.750 175.679 174.900 0.048 0.000 1.334 281 G CA -0.291 44.848 45.100 0.066 0.000 0.978 281 G HN 0.265 nan 8.290 nan 0.000 0.493 282 T N -0.498 114.059 114.554 0.006 0.000 2.821 282 T HA -0.043 4.307 4.350 0.000 0.000 0.267 282 T C 1.479 176.272 174.700 0.155 0.000 1.046 282 T CA 1.368 63.490 62.100 0.037 0.000 1.139 282 T CB -0.271 68.578 68.868 -0.032 0.000 0.871 282 T HN 0.564 nan 8.240 nan 0.000 0.454 283 H N -0.436 118.563 119.070 -0.118 0.000 2.586 283 H HA 0.457 5.013 4.556 0.000 0.000 0.273 283 H C 1.003 176.078 175.328 -0.420 0.000 0.997 283 H CA -0.432 55.478 56.048 -0.231 0.000 1.177 283 H CB 0.722 30.337 29.762 -0.244 0.000 1.471 283 H HN 0.408 nan 8.280 nan 0.000 0.538 284 G N -0.216 108.438 108.800 -0.243 0.000 2.339 284 G HA2 0.213 4.173 3.960 0.000 0.000 0.302 284 G HA3 0.213 4.173 3.960 0.000 0.000 0.302 284 G C -1.458 173.494 174.900 0.085 0.000 1.425 284 G CA -0.738 44.144 45.100 -0.362 0.000 0.899 284 G HN 0.074 nan 8.290 nan 0.000 0.619 285 S N -1.322 114.583 115.700 0.341 0.000 2.627 285 S HA 0.972 5.442 4.470 0.000 0.000 0.283 285 S C -0.229 174.897 174.600 0.876 0.000 1.127 285 S CA 0.009 58.591 58.200 0.637 0.000 0.863 285 S CB 1.865 65.332 63.200 0.444 0.000 1.121 285 S HN 2.023 nan 8.310 nan 0.000 0.479 286 A N 1.050 124.411 122.820 0.902 0.000 2.515 286 A HA 0.816 5.136 4.320 0.000 0.000 0.298 286 A C -1.535 176.341 177.584 0.486 0.000 1.059 286 A CA -0.611 51.851 52.037 0.707 0.000 0.698 286 A CB 1.321 20.698 19.000 0.628 0.000 1.289 286 A HN 0.593 nan 8.150 nan 0.000 0.404 287 V N 1.073 121.153 119.914 0.277 0.000 2.487 287 V HA 0.761 4.881 4.120 0.000 0.000 0.298 287 V C 0.215 176.382 176.094 0.122 0.000 1.028 287 V CA -0.142 62.216 62.300 0.097 0.000 0.860 287 V CB 1.436 33.163 31.823 -0.160 0.000 0.991 287 V HN 1.425 nan 8.190 nan 0.000 0.427 288 A N 3.429 126.346 122.820 0.163 0.000 2.355 288 A HA 0.927 5.247 4.320 0.000 0.000 0.317 288 A C 0.312 177.978 177.584 0.136 0.000 1.094 288 A CA 0.052 52.182 52.037 0.155 0.000 0.764 288 A CB 1.630 20.751 19.000 0.201 0.000 1.230 288 A HN 0.982 nan 8.150 nan 0.000 0.448 289 G N -0.128 108.723 108.800 0.085 0.000 2.630 289 G HA2 0.448 4.408 3.960 0.000 0.000 0.223 289 G HA3 0.448 4.408 3.960 0.000 0.000 0.223 289 G C 0.517 175.475 174.900 0.097 0.000 1.434 289 G CA -0.449 44.695 45.100 0.072 0.000 1.057 289 G HN 0.509 nan 8.290 nan 0.000 0.570 290 L N -0.373 120.897 121.223 0.077 0.000 2.156 290 L HA 0.085 4.425 4.340 0.000 0.000 0.208 290 L C 2.691 179.574 176.870 0.022 0.000 1.095 290 L CA 1.797 56.684 54.840 0.078 0.000 0.770 290 L CB -0.015 42.093 42.059 0.082 0.000 0.914 290 L HN 0.393 nan 8.230 nan 0.000 0.439 291 S N -2.881 112.821 115.700 0.003 0.000 2.575 291 S HA 0.203 4.673 4.470 0.000 0.000 0.230 291 S C 0.200 174.773 174.600 -0.045 0.000 1.062 291 S CA -0.357 57.820 58.200 -0.040 0.000 0.913 291 S CB 0.693 63.889 63.200 -0.008 0.000 0.837 291 S HN 0.208 nan 8.310 nan 0.000 0.487 292 D N -0.000 120.398 120.400 -0.003 0.000 2.350 292 D HA 0.637 5.277 4.640 0.000 0.000 0.238 292 D C -0.801 175.523 176.300 0.040 0.000 0.989 292 D CA -0.322 53.688 54.000 0.017 0.000 0.921 292 D CB 2.251 43.063 40.800 0.021 0.000 1.297 292 D HN 0.195 nan 8.370 nan 0.000 0.490 296 Q N 3.578 123.426 119.800 0.079 0.000 2.350 296 Q HA 0.753 5.093 4.340 0.000 0.000 0.255 296 Q C -0.813 175.194 176.000 0.012 0.000 0.951 296 Q CA -0.514 55.134 55.803 -0.259 0.000 0.751 296 Q CB 2.037 30.072 28.738 -1.172 0.000 1.296 296 Q HN 1.074 nan 8.270 nan 0.000 0.453 297 A N 2.696 125.592 122.820 0.126 0.000 2.429 297 A HA 0.113 4.433 4.320 0.000 0.000 0.242 297 A C 1.044 178.552 177.584 -0.126 0.000 1.088 297 A CA 0.208 52.217 52.037 -0.047 0.000 0.784 297 A CB 0.339 19.359 19.000 0.033 0.000 1.038 297 A HN 1.039 nan 8.150 nan 0.000 0.501 298 R N -0.202 120.203 120.500 -0.158 0.000 2.120 298 R HA -0.190 4.150 4.340 0.000 0.000 0.234 298 R C 1.091 177.334 176.300 -0.094 0.000 1.123 298 R CA 1.927 57.956 56.100 -0.119 0.000 0.975 298 R CB -0.362 29.871 30.300 -0.111 0.000 0.866 298 R HN 0.695 nan 8.270 nan 0.000 0.446 299 Q N 0.488 120.234 119.800 -0.090 0.000 2.488 299 Q HA 0.138 4.478 4.340 0.000 0.000 0.211 299 Q C 1.558 177.529 176.000 -0.049 0.000 0.967 299 Q CA 1.313 57.078 55.803 -0.064 0.000 0.926 299 Q CB 0.439 29.142 28.738 -0.059 0.000 0.992 299 Q HN 0.566 nan 8.270 nan 0.000 0.506 300 A N -0.576 122.207 122.820 -0.062 0.000 2.303 300 A HA 0.132 4.452 4.320 0.000 0.000 0.217 300 A C 0.620 178.159 177.584 -0.075 0.000 1.205 300 A CA -0.110 51.891 52.037 -0.060 0.000 0.875 300 A CB 0.257 19.213 19.000 -0.074 0.000 0.910 300 A HN 0.136 nan 8.150 nan 0.000 0.501 301 T N 4.057 118.563 114.554 -0.081 0.000 2.817 301 T HA 0.354 4.704 4.350 0.000 0.000 0.295 301 T C -1.853 172.842 174.700 -0.009 0.000 0.958 301 T CA -0.577 61.485 62.100 -0.063 0.000 1.157 301 T CB 0.814 69.646 68.868 -0.059 0.000 0.898 301 T HN 0.363 nan 8.240 nan 0.000 0.536 302 P HA 0.257 nan 4.420 nan 0.000 0.286 302 P C -0.439 176.885 177.300 0.039 0.000 1.293 302 P CA -0.722 62.404 63.100 0.043 0.000 0.770 302 P CB 0.882 32.627 31.700 0.075 0.000 1.206 303 R N 0.946 121.456 120.500 0.016 0.000 2.494 303 R HA 0.312 4.652 4.340 0.000 0.000 0.284 303 R C -2.111 174.203 176.300 0.024 0.000 1.525 303 R CA -1.412 54.702 56.100 0.023 0.000 1.460 303 R CB 0.182 30.487 30.300 0.009 0.000 1.134 303 R HN 0.441 nan 8.270 nan 0.000 0.592 304 P HA 0.060 nan 4.420 nan 0.000 0.278 304 P C -0.498 176.860 177.300 0.096 0.000 1.238 304 P CA -0.408 62.749 63.100 0.096 0.000 0.794 304 P CB 1.715 33.562 31.700 0.245 0.000 0.955 305 V N 4.791 124.751 119.914 0.077 0.000 2.385 305 V HA 0.149 4.269 4.120 0.000 0.000 0.269 305 V C -0.198 175.975 176.094 0.133 0.000 1.043 305 V CA -0.907 61.449 62.300 0.094 0.000 0.906 305 V CB 0.024 31.875 31.823 0.047 0.000 0.995 305 V HN 0.611 nan 8.190 nan 0.000 0.467 306 W N 9.297 130.610 121.300 0.021 0.000 2.446 306 W HA 0.257 4.916 4.660 -0.000 0.000 0.316 306 W C -0.265 176.266 176.519 0.019 0.000 1.376 306 W CA 0.014 57.371 57.345 0.019 0.000 1.300 306 W CB 0.417 29.881 29.460 0.006 0.000 1.351 306 W HN 0.844 nan 8.180 nan 0.000 0.530 307 N N 6.446 124.934 118.700 -0.354 0.000 2.697 307 N HA 0.093 4.833 4.740 0.000 0.000 0.271 307 N C -2.362 172.956 175.510 -0.319 0.000 1.149 307 N CA -0.821 52.099 53.050 -0.216 0.000 0.939 307 N CB 0.834 39.285 38.487 -0.060 0.000 1.534 307 N HN 0.130 nan 8.380 nan 0.000 0.556 314 H N -0.399 118.604 119.070 -0.110 0.000 2.954 314 H HA 0.562 5.118 4.556 0.000 0.000 0.361 314 H C -1.623 173.527 175.328 -0.297 0.000 1.122 314 H CA -0.146 55.746 56.048 -0.260 0.000 1.217 314 H CB 2.227 31.721 29.762 -0.446 0.000 1.776 314 H HN 0.350 nan 8.280 nan 0.000 0.533 315 D N 4.356 124.332 120.400 -0.708 0.000 2.428 315 D HA 0.096 4.737 4.640 0.000 0.000 0.221 315 D C 0.079 176.145 176.300 -0.390 0.000 1.123 315 D CA -0.258 53.550 54.000 -0.321 0.000 0.869 315 D CB 0.040 40.747 40.800 -0.155 0.000 1.032 315 D HN 0.482 nan 8.370 nan 0.000 0.506 316 F N 1.854 121.814 119.950 0.016 0.000 2.325 316 F HA -0.091 4.436 4.527 0.000 0.000 0.299 316 F C 1.323 177.227 175.800 0.174 0.000 1.090 316 F CA 0.555 58.628 58.000 0.120 0.000 1.392 316 F CB -0.302 38.745 39.000 0.077 0.000 1.053 316 F HN 0.475 nan 8.300 nan 0.000 0.521 317 Y N -0.174 120.306 120.300 0.301 0.000 2.274 317 Y HA -0.113 4.437 4.550 0.000 0.000 0.290 317 Y C 2.580 178.649 175.900 0.282 0.000 1.145 317 Y CA 1.033 59.253 58.100 0.200 0.000 1.203 317 Y CB -1.270 37.213 38.460 0.039 0.000 0.984 317 Y HN 0.024 nan 8.280 nan 0.000 0.533 318 G N -0.510 108.474 108.800 0.306 0.000 2.509 318 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 318 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 318 G C 0.990 176.008 174.900 0.197 0.000 1.124 318 G CA 0.802 46.011 45.100 0.183 0.000 0.776 318 G HN 0.293 nan 8.290 nan 0.000 0.547 319 D N -0.416 120.148 120.400 0.273 0.000 2.363 319 D HA 0.041 4.681 4.640 0.000 0.000 0.226 319 D C -0.028 176.311 176.300 0.065 0.000 1.020 319 D CA 0.282 54.378 54.000 0.159 0.000 0.892 319 D CB 0.181 41.072 40.800 0.151 0.000 0.900 319 D HN 0.384 nan 8.370 nan 0.000 0.531 320 W N 0.479 121.851 121.300 0.121 0.000 2.719 320 W HA 0.464 5.124 4.660 0.000 0.000 0.352 320 W C 0.113 176.689 176.519 0.096 0.000 1.085 320 W CA -0.904 56.515 57.345 0.123 0.000 1.187 320 W CB 0.996 30.542 29.460 0.144 0.000 1.417 320 W HN -0.401 nan 8.180 nan 0.000 0.557 321 Q N 1.892 121.888 119.800 0.328 0.000 2.337 321 Q HA 0.336 4.676 4.340 0.000 0.000 0.270 321 Q C -0.791 175.312 176.000 0.172 0.000 1.043 321 Q CA -0.929 54.989 55.803 0.192 0.000 0.794 321 Q CB 1.692 30.503 28.738 0.121 0.000 1.281 321 Q HN 0.367 nan 8.270 nan 0.000 0.446 322 K N 3.897 124.374 120.400 0.128 0.000 2.379 322 K HA 0.208 4.528 4.320 0.000 0.000 0.284 322 K C -0.623 176.022 176.600 0.075 0.000 1.044 322 K CA -0.260 56.085 56.287 0.097 0.000 0.974 322 K CB 0.440 32.983 32.500 0.073 0.000 0.962 322 K HN 0.687 nan 8.250 nan 0.000 0.474 323 L N 6.746 128.010 121.223 0.069 0.000 2.485 323 L HA 0.154 4.494 4.340 0.000 0.000 0.275 323 L C -1.615 175.288 176.870 0.055 0.000 1.207 323 L CA -1.599 53.277 54.840 0.059 0.000 0.855 323 L CB 0.341 42.443 42.059 0.072 0.000 1.114 323 L HN 0.685 nan 8.230 nan 0.000 0.485 324 P HA 0.089 nan 4.420 nan 0.000 0.277 324 P C -1.200 176.119 177.300 0.031 0.000 1.240 324 P CA -0.531 62.589 63.100 0.033 0.000 0.798 324 P CB 0.752 32.465 31.700 0.022 0.000 0.979 325 D N 2.524 122.950 120.400 0.043 0.000 2.470 325 D HA 0.046 4.686 4.640 0.000 0.000 0.226 325 D C 0.740 177.028 176.300 -0.021 0.000 1.196 325 D CA 0.124 54.160 54.000 0.061 0.000 0.979 325 D CB -0.292 40.563 40.800 0.092 0.000 1.059 325 D HN 0.179 nan 8.370 nan 0.000 0.515 326 N N 0.214 118.868 118.700 -0.077 0.000 2.424 326 N HA -0.021 4.720 4.740 0.000 0.000 0.178 326 N C 0.449 175.850 175.510 -0.181 0.000 1.060 326 N CA 0.319 53.297 53.050 -0.121 0.000 0.901 326 N CB 0.655 39.058 38.487 -0.140 0.000 0.979 326 N HN 0.297 nan 8.380 nan 0.000 0.451 327 V N -2.446 117.292 119.914 -0.293 0.000 2.735 327 V HA 0.574 4.694 4.120 0.000 0.000 0.310 327 V C 0.211 175.917 176.094 -0.648 0.000 1.061 327 V CA -1.091 60.962 62.300 -0.411 0.000 0.913 327 V CB 1.788 33.358 31.823 -0.422 0.000 1.005 327 V HN -0.147 nan 8.190 nan 0.000 0.428 328 S N 2.934 118.386 115.700 -0.414 0.000 2.563 328 S HA 0.425 4.895 4.470 0.000 0.000 0.284 328 S C -0.840 173.459 174.600 -0.501 0.000 1.331 328 S CA 0.322 58.323 58.200 -0.331 0.000 1.047 328 S CB -0.113 63.005 63.200 -0.138 0.000 0.859 328 S HN 0.697 nan 8.310 nan 0.000 0.514 329 Y N 1.115 121.432 120.300 0.028 0.000 2.345 329 Y HA 0.310 4.860 4.550 0.000 0.000 0.331 329 Y C 0.416 176.351 175.900 0.057 0.000 0.959 329 Y CA -1.126 57.003 58.100 0.048 0.000 1.204 329 Y CB 0.704 39.196 38.460 0.053 0.000 1.135 329 Y HN 0.523 nan 8.280 nan 0.000 0.477 330 D N 1.667 122.174 120.400 0.178 0.000 2.360 330 D HA -0.052 4.588 4.640 0.000 0.000 0.242 330 D C 0.129 176.515 176.300 0.144 0.000 1.184 330 D CA -0.028 54.048 54.000 0.128 0.000 0.930 330 D CB 0.672 41.532 40.800 0.099 0.000 1.161 330 D HN 0.481 nan 8.370 nan 0.000 0.447 331 N N 0.242 119.009 118.700 0.111 0.000 2.454 331 N HA -0.027 4.713 4.740 0.000 0.000 0.260 331 N C 1.016 176.558 175.510 0.054 0.000 1.218 331 N CA 0.287 53.410 53.050 0.121 0.000 0.904 331 N CB 1.154 39.721 38.487 0.132 0.000 1.065 331 N HN 0.500 nan 8.380 nan 0.000 0.462 332 G N 3.355 112.141 108.800 -0.023 0.000 2.408 332 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 332 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 332 G C 1.122 175.638 174.900 -0.641 0.000 1.150 332 G CA 0.418 45.297 45.100 -0.367 0.000 0.776 332 G HN 0.622 nan 8.290 nan 0.000 0.542 333 F N 0.951 120.790 119.950 -0.186 0.000 2.146 333 F HA 0.104 4.631 4.527 0.000 0.000 0.298 333 F C 2.526 178.365 175.800 0.065 0.000 1.096 333 F CA 1.403 59.338 58.000 -0.108 0.000 1.275 333 F CB -0.181 38.725 39.000 -0.157 0.000 1.008 333 F HN 0.061 nan 8.300 nan 0.000 0.480 334 K N 0.681 121.217 120.400 0.226 0.000 2.025 334 K HA -0.215 4.105 4.320 0.000 0.000 0.207 334 K C 2.158 178.832 176.600 0.122 0.000 1.049 334 K CA 1.584 57.981 56.287 0.183 0.000 0.933 334 K CB -0.234 32.316 32.500 0.084 0.000 0.714 334 K HN 0.271 nan 8.250 nan 0.000 0.438 335 E N 0.515 120.707 120.200 -0.012 0.000 2.058 335 E HA -0.275 4.075 4.350 0.000 0.000 0.194 335 E C 2.153 178.727 176.600 -0.043 0.000 0.997 335 E CA 1.440 57.824 56.400 -0.028 0.000 0.801 335 E CB 0.033 29.703 29.700 -0.050 0.000 0.746 335 E HN 0.363 nan 8.360 nan 0.000 0.450 336 Q N -0.745 118.877 119.800 -0.297 0.000 2.170 336 Q HA -0.183 4.158 4.340 0.000 0.000 0.203 336 Q C 1.766 177.780 176.000 0.023 0.000 0.976 336 Q CA 1.417 57.139 55.803 -0.135 0.000 0.858 336 Q CB -0.142 28.387 28.738 -0.348 0.000 0.907 336 Q HN 0.420 nan 8.270 nan 0.000 0.433 337 W N 1.377 122.641 121.300 -0.060 0.000 2.355 337 W HA -0.110 4.550 4.660 0.000 0.000 0.309 337 W C 0.974 177.457 176.519 -0.061 0.000 1.206 337 W CA 0.464 57.732 57.345 -0.128 0.000 1.284 337 W CB 0.156 29.563 29.460 -0.090 0.000 1.145 337 W HN 0.165 nan 8.180 nan 0.000 0.502 341 I N 1.265 121.768 120.570 -0.111 0.000 2.286 341 I HA -0.152 4.018 4.170 0.000 0.000 0.245 341 I C 2.319 178.425 176.117 -0.019 0.000 1.104 341 I CA 1.213 62.482 61.300 -0.051 0.000 1.397 341 I CB -0.374 37.710 38.000 0.140 0.000 1.072 341 I HN 0.084 nan 8.210 nan 0.000 0.417 342 R N -0.385 120.116 120.500 0.002 0.000 2.127 342 R HA -0.241 4.099 4.340 0.000 0.000 0.238 342 R C 2.341 178.625 176.300 -0.028 0.000 1.134 342 R CA 1.551 57.664 56.100 0.023 0.000 0.975 342 R CB -0.491 29.841 30.300 0.053 0.000 0.865 342 R HN 0.414 nan 8.270 nan 0.000 0.447 343 H N 0.194 119.113 119.070 -0.252 0.000 2.423 343 H HA -0.016 4.540 4.556 0.000 0.000 0.297 343 H C 1.730 176.787 175.328 -0.452 0.000 1.075 343 H CA 1.271 57.120 56.048 -0.331 0.000 1.342 343 H CB 0.014 29.489 29.762 -0.478 0.000 1.395 343 H HN -0.097 nan 8.280 nan 0.000 0.530 344 V N -0.266 119.178 119.914 -0.783 0.000 2.323 344 V HA -0.217 3.903 4.120 0.000 0.000 0.244 344 V C 1.784 177.433 176.094 -0.741 0.000 1.041 344 V CA 2.031 63.715 62.300 -1.027 0.000 1.025 344 V CB -0.586 30.494 31.823 -1.240 0.000 0.656 344 V HN 0.427 nan 8.190 nan 0.000 0.451 345 Y N -0.338 119.779 120.300 -0.306 0.000 2.314 345 Y HA 0.072 4.623 4.550 0.000 0.000 0.294 345 Y C 2.520 178.341 175.900 -0.131 0.000 1.139 345 Y CA 1.033 59.026 58.100 -0.178 0.000 1.162 345 Y CB -0.173 38.211 38.460 -0.127 0.000 1.121 345 Y HN 0.116 nan 8.280 nan 0.000 0.529 346 E N 0.166 120.398 120.200 0.055 0.000 2.347 346 E HA -0.183 4.167 4.350 0.000 0.000 0.196 346 E C -0.363 176.234 176.600 -0.005 0.000 1.008 346 E CA 0.884 57.299 56.400 0.025 0.000 0.852 346 E CB 0.009 29.728 29.700 0.031 0.000 0.783 346 E HN 0.302 nan 8.360 nan 0.000 0.505 347 D N -0.172 120.196 120.400 -0.053 0.000 2.716 347 D HA -0.177 4.463 4.640 0.000 0.000 0.239 347 D C -0.873 175.459 176.300 0.053 0.000 1.125 347 D CA 0.931 54.909 54.000 -0.037 0.000 0.681 347 D CB -1.377 39.402 40.800 -0.034 0.000 1.070 347 D HN 0.317 nan 8.370 nan 0.000 0.432 348 A N 0.773 123.652 122.820 0.098 0.000 2.302 348 A HA 0.620 4.940 4.320 0.000 0.000 0.285 348 A C -1.925 175.755 177.584 0.160 0.000 1.105 348 A CA -1.037 51.067 52.037 0.112 0.000 0.816 348 A CB 0.619 19.675 19.000 0.094 0.000 1.067 348 A HN 0.002 nan 8.150 nan 0.000 0.489 349 P HA 0.059 nan 4.420 nan 0.000 0.264 349 P C -1.285 175.995 177.300 -0.033 0.000 1.183 349 P CA 0.832 63.936 63.100 0.007 0.000 0.763 349 P CB 0.091 31.780 31.700 -0.018 0.000 0.807 350 Y N 1.839 121.906 120.300 -0.388 0.000 2.294 350 Y HA 0.221 4.771 4.550 0.000 0.000 0.329 350 Y C 1.019 176.617 175.900 -0.503 0.000 1.135 350 Y CA -0.578 57.208 58.100 -0.523 0.000 1.213 350 Y CB 1.304 39.212 38.460 -0.920 0.000 1.141 350 Y HN 0.259 nan 8.280 nan 0.000 0.446 351 K N 3.406 123.202 120.400 -1.008 0.000 2.103 351 K HA 0.011 4.331 4.320 0.000 0.000 0.204 351 K C -0.072 175.974 176.600 -0.922 0.000 1.052 351 K CA 0.982 56.704 56.287 -0.942 0.000 0.945 351 K CB 0.031 31.904 32.500 -1.046 0.000 0.722 351 K HN 0.484 nan 8.250 nan 0.000 0.443 352 F N 2.389 121.764 119.950 -0.959 0.000 2.666 352 F HA 0.069 4.596 4.527 0.000 0.000 0.362 352 F C 0.809 176.437 175.800 -0.287 0.000 1.190 352 F CA -0.355 57.289 58.000 -0.594 0.000 1.328 352 F CB -1.184 37.550 39.000 -0.444 0.000 1.682 352 F HN -0.070 nan 8.300 nan 0.000 0.623 353 T N -3.081 111.474 114.554 0.001 0.000 2.770 353 T HA 0.296 4.646 4.350 0.000 0.000 0.281 353 T C 1.490 176.344 174.700 0.256 0.000 0.981 353 T CA -0.712 61.531 62.100 0.240 0.000 0.955 353 T CB 0.829 69.812 68.868 0.192 0.000 1.060 353 T HN 0.353 nan 8.240 nan 0.000 0.531 354 L N 0.144 121.608 121.223 0.402 0.000 2.187 354 L HA -0.033 4.307 4.340 0.000 0.000 0.213 354 L C 2.562 179.512 176.870 0.134 0.000 1.100 354 L CA 0.764 55.723 54.840 0.197 0.000 0.765 354 L CB -0.819 41.306 42.059 0.109 0.000 0.904 354 L HN 0.594 nan 8.230 nan 0.000 0.437 355 L N -0.111 121.219 121.223 0.177 0.000 2.042 355 L HA -0.215 4.125 4.340 0.000 0.000 0.210 355 L C 2.567 179.510 176.870 0.122 0.000 1.076 355 L CA 1.828 56.747 54.840 0.131 0.000 0.749 355 L CB -0.505 41.638 42.059 0.140 0.000 0.893 355 L HN 0.187 nan 8.230 nan 0.000 0.432 356 E N -0.144 120.124 120.200 0.114 0.000 2.106 356 E HA -0.108 4.242 4.350 0.000 0.000 0.192 356 E C 2.151 178.815 176.600 0.106 0.000 0.984 356 E CA 1.081 57.548 56.400 0.112 0.000 0.806 356 E CB -0.744 29.025 29.700 0.115 0.000 0.750 356 E HN 0.646 nan 8.360 nan 0.000 0.458 357 G N 1.592 110.439 108.800 0.077 0.000 2.446 357 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 357 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 357 G C 1.776 176.729 174.900 0.087 0.000 1.168 357 G CA 1.512 46.643 45.100 0.052 0.000 0.771 357 G HN 0.400 nan 8.290 nan 0.000 0.551 358 A N 0.617 123.504 122.820 0.112 0.000 1.940 358 A HA -0.035 4.285 4.320 0.000 0.000 0.219 358 A C 2.297 180.065 177.584 0.306 0.000 1.176 358 A CA 2.052 54.206 52.037 0.195 0.000 0.631 358 A CB -0.360 18.722 19.000 0.137 0.000 0.814 358 A HN 0.405 nan 8.150 nan 0.000 0.446 359 K N -0.847 119.676 120.400 0.205 0.000 2.147 359 K HA -0.078 4.242 4.320 0.000 0.000 0.205 359 K C 2.104 178.755 176.600 0.085 0.000 1.049 359 K CA 0.965 57.338 56.287 0.144 0.000 0.936 359 K CB -0.363 32.207 32.500 0.118 0.000 0.722 359 K HN 0.482 nan 8.250 nan 0.000 0.446 360 G N 0.704 109.558 108.800 0.090 0.000 2.404 360 G HA2 -0.197 3.763 3.960 0.000 0.000 0.215 360 G HA3 -0.197 3.763 3.960 0.000 0.000 0.215 360 G C 1.540 176.456 174.900 0.026 0.000 1.174 360 G CA 0.691 45.816 45.100 0.042 0.000 0.780 360 G HN 0.087 nan 8.290 nan 0.000 0.537 361 V N 0.600 120.558 119.914 0.074 0.000 2.343 361 V HA -0.266 3.854 4.120 0.000 0.000 0.247 361 V C 2.742 178.864 176.094 0.045 0.000 1.051 361 V CA 2.237 64.594 62.300 0.096 0.000 1.036 361 V CB -0.698 31.234 31.823 0.181 0.000 0.654 361 V HN 0.456 nan 8.190 nan 0.000 0.451 362 Q N -0.547 119.232 119.800 -0.035 0.000 2.077 362 Q HA -0.287 4.053 4.340 0.000 0.000 0.206 362 Q C 2.268 178.135 176.000 -0.222 0.000 0.989 362 Q CA 2.306 57.828 55.803 -0.469 0.000 0.853 362 Q CB -0.215 28.132 28.738 -0.652 0.000 0.907 362 Q HN 0.549 nan 8.270 nan 0.000 0.418 363 L N 0.280 121.456 121.223 -0.077 0.000 2.156 363 L HA -0.013 4.327 4.340 0.000 0.000 0.208 363 L C 2.127 179.024 176.870 0.045 0.000 1.095 363 L CA 1.869 56.715 54.840 0.011 0.000 0.770 363 L CB -0.748 41.350 42.059 0.065 0.000 0.914 363 L HN 0.228 nan 8.230 nan 0.000 0.439 364 A N -0.518 122.317 122.820 0.024 0.000 1.865 364 A HA -0.240 4.080 4.320 0.000 0.000 0.217 364 A C 2.152 179.759 177.584 0.038 0.000 1.191 364 A CA 1.927 53.987 52.037 0.038 0.000 0.623 364 A CB -0.661 18.353 19.000 0.022 0.000 0.826 364 A HN 0.585 nan 8.150 nan 0.000 0.444 365 E N -0.877 119.328 120.200 0.009 0.000 2.153 365 E HA -0.177 4.173 4.350 0.000 0.000 0.194 365 E C 2.065 178.664 176.600 -0.002 0.000 0.988 365 E CA 1.086 57.490 56.400 0.005 0.000 0.811 365 E CB -0.402 29.295 29.700 -0.006 0.000 0.746 365 E HN 0.696 nan 8.360 nan 0.000 0.466 366 C N 0.786 120.075 119.300 -0.019 0.000 2.453 366 C HA -0.091 4.370 4.460 0.000 0.000 0.277 366 C C 2.958 177.965 174.990 0.028 0.000 1.262 366 C CA 0.838 59.857 59.018 0.003 0.000 1.718 366 C CB -0.959 26.786 27.740 0.009 0.000 2.031 366 C HN 0.536 nan 8.230 nan 0.000 0.480 367 A N 0.629 123.475 122.820 0.044 0.000 1.865 367 A HA -0.164 4.156 4.320 0.000 0.000 0.217 367 A C 2.112 179.755 177.584 0.098 0.000 1.191 367 A CA 1.759 53.818 52.037 0.036 0.000 0.623 367 A CB -0.770 18.264 19.000 0.055 0.000 0.826 367 A HN 0.612 nan 8.150 nan 0.000 0.444 368 L N -0.671 120.628 121.223 0.127 0.000 1.989 368 L HA -0.262 4.078 4.340 0.000 0.000 0.211 368 L C 2.686 179.622 176.870 0.109 0.000 1.071 368 L CA 2.198 57.143 54.840 0.174 0.000 0.749 368 L CB -0.531 41.587 42.059 0.099 0.000 0.890 368 L HN 0.506 nan 8.230 nan 0.000 0.431 369 K N -0.212 120.219 120.400 0.052 0.000 2.103 369 K HA -0.243 4.077 4.320 0.000 0.000 0.207 369 K C 2.386 179.013 176.600 0.046 0.000 1.048 369 K CA 1.772 58.075 56.287 0.026 0.000 0.930 369 K CB -0.129 32.382 32.500 0.018 0.000 0.716 369 K HN 0.201 nan 8.250 nan 0.000 0.444 370 S N 0.010 115.744 115.700 0.057 0.000 2.356 370 S HA -0.186 4.284 4.470 0.000 0.000 0.223 370 S C 1.722 176.383 174.600 0.102 0.000 1.032 370 S CA 1.187 59.407 58.200 0.033 0.000 1.005 370 S CB -0.538 62.630 63.200 -0.053 0.000 0.867 370 S HN 0.615 nan 8.310 nan 0.000 0.449 371 W N 2.519 123.772 121.300 -0.078 0.000 2.332 371 W HA -0.063 4.598 4.660 0.000 0.000 0.321 371 W C 2.355 178.853 176.519 -0.035 0.000 1.219 371 W CA 1.854 59.165 57.345 -0.057 0.000 1.277 371 W CB -1.158 28.277 29.460 -0.042 0.000 1.161 371 W HN 0.332 nan 8.180 nan 0.000 0.476 372 K N 0.061 120.451 120.400 -0.016 0.000 2.160 372 K HA -0.210 4.110 4.320 0.000 0.000 0.206 372 K C 1.361 177.937 176.600 -0.040 0.000 1.047 372 K CA 2.039 58.236 56.287 -0.150 0.000 0.930 372 K CB -0.249 32.158 32.500 -0.155 0.000 0.720 372 K HN 0.287 nan 8.250 nan 0.000 0.450 373 E N -0.435 119.774 120.200 0.015 0.000 2.538 373 E HA 0.112 4.462 4.350 0.000 0.000 0.207 373 E C -0.564 176.061 176.600 0.042 0.000 1.002 373 E CA -0.211 56.203 56.400 0.022 0.000 0.952 373 E CB 0.689 30.401 29.700 0.021 0.000 1.031 373 E HN 0.194 nan 8.360 nan 0.000 0.476 374 R N 0.806 121.343 120.500 0.061 0.000 3.770 374 R HA -0.195 4.145 4.340 0.000 0.000 0.305 374 R C -0.055 176.268 176.300 0.038 0.000 1.184 374 R CA 0.990 57.123 56.100 0.055 0.000 0.823 374 R CB -2.257 28.076 30.300 0.054 0.000 1.285 374 R HN 0.349 nan 8.270 nan 0.000 0.499 375 R N -1.428 119.093 120.500 0.035 0.000 2.764 375 R HA 0.411 4.751 4.340 0.000 0.000 0.270 375 R C -1.151 175.189 176.300 0.065 0.000 1.014 375 R CA -1.021 55.129 56.100 0.083 0.000 0.904 375 R CB 0.669 31.036 30.300 0.112 0.000 1.236 375 R HN -0.026 nan 8.270 nan 0.000 0.466 376 W N 1.312 122.614 121.300 0.003 0.000 2.210 376 W HA 0.277 4.937 4.660 0.000 0.000 0.330 376 W C 0.016 176.538 176.519 0.006 0.000 1.334 376 W CA -0.094 57.249 57.345 -0.002 0.000 1.227 376 W CB 0.537 29.994 29.460 -0.005 0.000 1.178 376 W HN 0.252 nan 8.180 nan 0.000 0.560 377 I N 4.219 124.929 120.570 0.234 0.000 2.389 377 I HA 0.090 4.261 4.170 0.000 0.000 0.288 377 I C -0.203 176.016 176.117 0.170 0.000 0.999 377 I CA -1.185 60.208 61.300 0.154 0.000 1.129 377 I CB 0.839 38.886 38.000 0.078 0.000 1.288 377 I HN 0.304 nan 8.210 nan 0.000 0.444 378 D N 5.616 126.097 120.400 0.134 0.000 2.389 378 D HA 0.112 4.752 4.640 0.000 0.000 0.247 378 D C 0.073 176.417 176.300 0.073 0.000 1.128 378 D CA -0.083 53.982 54.000 0.108 0.000 0.884 378 D CB 2.037 42.880 40.800 0.071 0.000 1.194 378 D HN 0.097 nan 8.370 nan 0.000 0.441 379 V N 2.360 122.319 119.914 0.075 0.000 2.415 379 V HA 0.259 4.379 4.120 0.000 0.000 0.267 379 V C 0.869 176.978 176.094 0.025 0.000 1.042 379 V CA -0.580 61.741 62.300 0.035 0.000 1.000 379 V CB 0.421 32.275 31.823 0.051 0.000 1.015 379 V HN 0.606 nan 8.190 nan 0.000 0.478 380 A N 8.972 131.795 122.820 0.005 0.000 2.351 380 A HA 0.668 4.988 4.320 0.000 0.000 0.257 380 A C -1.739 175.866 177.584 0.034 0.000 1.087 380 A CA -1.133 50.918 52.037 0.022 0.000 0.798 380 A CB -0.004 19.011 19.000 0.026 0.000 1.033 380 A HN 0.693 nan 8.150 nan 0.000 0.488 381 P HA 0.412 nan 4.420 nan 0.000 0.274 381 P C -0.953 176.400 177.300 0.089 0.000 1.246 381 P CA -0.026 63.110 63.100 0.061 0.000 0.795 381 P CB 0.695 32.425 31.700 0.050 0.000 1.006 382 I N 0.880 121.512 120.570 0.104 0.000 2.437 382 I HA 0.313 4.483 4.170 0.000 0.000 0.279 382 I C 0.348 176.518 176.117 0.089 0.000 1.028 382 I CA -0.673 60.706 61.300 0.132 0.000 1.142 382 I CB 1.176 39.291 38.000 0.191 0.000 1.266 382 I HN 0.103 nan 8.210 nan 0.000 0.461 383 K N 0.000 120.442 120.400 0.069 0.000 2.780 383 K HA 0.000 4.320 4.320 0.000 0.000 0.191 383 K CA 0.000 56.328 56.287 0.068 0.000 0.838 383 K CB 0.000 32.532 32.500 0.053 0.000 1.064 383 K HN 0.000 nan 8.250 nan 0.000 0.543