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 1vz7_1_A DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWPAGEG GFDRAARAIM TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.801 174.700 0.168 0.000 1.109 8 T CA 0.000 62.157 62.100 0.095 0.000 1.349 8 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 9 P HA 0.242 nan 4.420 nan 0.000 0.264 9 P C -0.456 177.065 177.300 0.368 0.000 1.193 9 P CA 0.076 63.371 63.100 0.325 0.000 0.763 9 P CB 0.425 32.398 31.700 0.455 0.000 0.810 10 R N 2.245 122.855 120.500 0.182 0.000 2.585 10 R HA 0.239 4.580 4.340 0.001 0.000 0.275 10 R C 1.639 177.879 176.300 -0.099 0.000 1.018 10 R CA 0.940 57.079 56.100 0.065 0.000 1.072 10 R CB -1.181 29.133 30.300 0.024 0.000 0.953 10 R HN 0.920 nan 8.270 nan 0.000 0.419 11 G N 1.293 110.011 108.800 -0.137 0.000 2.157 11 G HA2 -0.251 3.710 3.960 0.001 0.000 0.239 11 G HA3 -0.251 3.710 3.960 0.001 0.000 0.239 11 G C -0.468 174.149 174.900 -0.472 0.000 0.982 11 G CA -0.386 44.516 45.100 -0.330 0.000 0.650 11 G HN 0.419 nan 8.290 nan 0.000 0.527 12 F N 0.576 120.607 119.950 0.135 0.000 2.467 12 F HA 0.673 5.201 4.527 0.001 0.000 0.336 12 F C 0.580 176.429 175.800 0.081 0.000 1.123 12 F CA -0.914 57.163 58.000 0.128 0.000 0.964 12 F CB 2.029 41.197 39.000 0.280 0.000 1.136 12 F HN 0.369 nan 8.300 nan 0.000 0.447 13 V N 1.258 121.296 119.914 0.206 0.000 2.919 13 V HA 0.932 5.053 4.120 0.001 0.000 0.316 13 V C -1.145 174.930 176.094 -0.031 0.000 1.077 13 V CA -0.914 61.459 62.300 0.121 0.000 0.977 13 V CB 1.962 33.923 31.823 0.230 0.000 1.039 13 V HN 0.432 nan 8.190 nan 0.000 0.441 14 V N 2.835 122.723 119.914 -0.044 0.000 2.569 14 V HA 0.467 4.588 4.120 0.001 0.000 0.301 14 V C -1.144 174.951 176.094 0.001 0.000 1.044 14 V CA -0.348 61.884 62.300 -0.113 0.000 0.874 14 V CB 1.434 33.129 31.823 -0.213 0.000 1.002 14 V HN 1.213 nan 8.190 nan 0.000 0.424 15 H N 3.086 122.096 119.070 -0.100 0.000 2.511 15 H HA 0.744 5.301 4.556 0.001 0.000 0.328 15 H C -0.246 175.076 175.328 -0.009 0.000 1.044 15 H CA -0.120 55.912 56.048 -0.026 0.000 1.212 15 H CB 1.627 31.386 29.762 -0.006 0.000 1.428 15 H HN 0.733 nan 8.280 nan 0.000 0.483 16 T N 2.767 117.071 114.554 -0.417 0.000 2.841 16 T HA 0.857 5.208 4.350 0.001 0.000 0.285 16 T C -0.636 173.838 174.700 -0.376 0.000 0.991 16 T CA -0.480 61.420 62.100 -0.334 0.000 0.966 16 T CB 1.450 70.220 68.868 -0.163 0.000 0.962 16 T HN 0.781 nan 8.240 nan 0.000 0.438 17 A N 3.635 126.284 122.820 -0.284 0.000 2.594 17 A HA 0.988 5.309 4.320 0.001 0.000 0.291 17 A C -3.162 174.309 177.584 -0.189 0.000 1.105 17 A CA -1.852 50.027 52.037 -0.263 0.000 0.694 17 A CB 1.836 20.577 19.000 -0.433 0.000 1.291 17 A HN 0.646 nan 8.150 nan 0.000 0.410 18 P HA 0.417 nan 4.420 nan 0.000 0.303 18 P C -0.581 176.601 177.300 -0.195 0.000 1.370 18 P CA -0.266 62.750 63.100 -0.141 0.000 0.854 18 P CB 1.528 33.172 31.700 -0.094 0.000 0.946 19 V N 2.796 122.623 119.914 -0.146 0.000 3.121 19 V HA 0.260 4.381 4.120 0.001 0.000 0.344 19 V C 1.521 177.584 176.094 -0.052 0.000 1.390 19 V CA 0.328 62.541 62.300 -0.147 0.000 1.177 19 V CB -0.448 31.271 31.823 -0.174 0.000 1.163 19 V HN 0.896 nan 8.190 nan 0.000 0.484 20 G N 1.170 109.948 108.800 -0.036 0.000 2.395 20 G HA2 -0.273 3.688 3.960 0.001 0.000 0.292 20 G HA3 -0.273 3.688 3.960 0.001 0.000 0.292 20 G C 0.705 175.618 174.900 0.022 0.000 0.953 20 G CA 0.586 45.682 45.100 -0.008 0.000 1.207 20 G HN 0.523 nan 8.290 nan 0.000 0.503 21 L N -0.916 120.334 121.223 0.045 0.000 2.549 21 L HA 0.250 4.590 4.340 0.001 0.000 0.229 21 L C 1.633 178.539 176.870 0.059 0.000 1.158 21 L CA 1.203 56.094 54.840 0.085 0.000 0.842 21 L CB -0.349 41.782 42.059 0.121 0.000 0.952 21 L HN 0.760 nan 8.230 nan 0.000 0.452 22 A N -1.581 121.259 122.820 0.034 0.000 2.572 22 A HA 0.501 4.822 4.320 0.001 0.000 0.295 22 A C -0.628 176.963 177.584 0.011 0.000 1.072 22 A CA -0.069 51.981 52.037 0.022 0.000 0.691 22 A CB 0.701 19.712 19.000 0.018 0.000 1.291 22 A HN 0.097 nan 8.150 nan 0.000 0.404 23 D N 1.416 121.820 120.400 0.007 0.000 2.455 23 D HA 0.433 5.074 4.640 0.001 0.000 0.234 23 D C -0.001 176.298 176.300 -0.002 0.000 1.224 23 D CA 0.348 54.349 54.000 0.001 0.000 0.999 23 D CB -0.150 40.651 40.800 0.001 0.000 1.072 23 D HN 0.677 nan 8.370 nan 0.000 0.514 24 D N -0.495 119.902 120.400 -0.004 0.000 2.738 24 D HA 0.120 4.761 4.640 0.001 0.000 0.345 24 D C 1.197 177.491 176.300 -0.011 0.000 1.465 24 D CA 0.548 54.544 54.000 -0.006 0.000 0.935 24 D CB -0.895 39.903 40.800 -0.004 0.000 1.543 24 D HN 1.102 nan 8.370 nan 0.000 0.399 25 G N 1.823 110.614 108.800 -0.016 0.000 2.379 25 G HA2 -0.337 3.624 3.960 0.001 0.000 0.297 25 G HA3 -0.337 3.624 3.960 0.001 0.000 0.297 25 G C 0.134 175.019 174.900 -0.024 0.000 1.004 25 G CA 0.530 45.616 45.100 -0.024 0.000 0.921 25 G HN 0.499 nan 8.290 nan 0.000 0.511 26 R N 0.562 121.050 120.500 -0.020 0.000 2.255 26 R HA 0.297 4.638 4.340 0.001 0.000 0.326 26 R C -0.604 175.680 176.300 -0.025 0.000 0.986 26 R CA -0.715 55.374 56.100 -0.019 0.000 0.847 26 R CB 0.379 30.674 30.300 -0.010 0.000 1.111 26 R HN 0.152 nan 8.270 nan 0.000 0.452 27 D N 3.278 123.657 120.400 -0.036 0.000 2.659 27 D HA -0.114 4.526 4.640 0.001 0.000 0.264 27 D C 0.469 176.750 176.300 -0.031 0.000 1.329 27 D CA 1.004 54.974 54.000 -0.049 0.000 0.963 27 D CB 0.602 41.365 40.800 -0.062 0.000 1.136 27 D HN 0.480 nan 8.370 nan 0.000 0.554 28 D N 1.326 121.718 120.400 -0.013 0.000 2.525 28 D HA 0.004 4.645 4.640 0.001 0.000 0.248 28 D C 0.400 176.713 176.300 0.022 0.000 1.000 28 D CA -0.423 53.584 54.000 0.012 0.000 0.923 28 D CB -0.298 40.523 40.800 0.035 0.000 1.101 28 D HN 0.354 nan 8.370 nan 0.000 0.493 29 F N 1.470 121.346 119.950 -0.123 0.000 2.484 29 F HA 0.434 4.961 4.527 0.001 0.000 0.360 29 F C -0.053 175.658 175.800 -0.147 0.000 1.101 29 F CA 0.358 58.284 58.000 -0.124 0.000 1.251 29 F CB 1.099 40.006 39.000 -0.155 0.000 1.132 29 F HN -0.096 nan 8.300 nan 0.000 0.570 30 T N 5.349 119.504 114.554 -0.666 0.000 3.193 30 T HA 0.570 4.921 4.350 0.001 0.000 0.332 30 T C -2.054 172.310 174.700 -0.560 0.000 1.208 30 T CA -0.634 61.196 62.100 -0.451 0.000 1.080 30 T CB 0.743 69.451 68.868 -0.267 0.000 1.180 30 T HN 0.446 nan 8.240 nan 0.000 0.469 31 V N 5.428 125.140 119.914 -0.338 0.000 2.525 31 V HA 0.661 4.782 4.120 0.001 0.000 0.299 31 V C -0.617 175.326 176.094 -0.253 0.000 1.034 31 V CA -0.847 61.274 62.300 -0.299 0.000 0.863 31 V CB 1.476 33.193 31.823 -0.177 0.000 0.999 31 V HN 0.899 nan 8.190 nan 0.000 0.423 32 L N 4.861 125.889 121.223 -0.326 0.000 2.317 32 L HA 1.001 5.342 4.340 0.001 0.000 0.281 32 L C -0.040 176.637 176.870 -0.321 0.000 1.024 32 L CA 0.068 54.708 54.840 -0.333 0.000 0.810 32 L CB 1.419 43.236 42.059 -0.403 0.000 1.240 32 L HN 0.842 nan 8.230 nan 0.000 0.427 33 A N 2.762 125.459 122.820 -0.206 0.000 2.594 33 A HA 0.678 4.998 4.320 0.001 0.000 0.295 33 A C -1.248 176.382 177.584 0.076 0.000 1.071 33 A CA -0.375 51.571 52.037 -0.152 0.000 0.685 33 A CB 1.578 20.453 19.000 -0.208 0.000 1.285 33 A HN 0.709 nan 8.150 nan 0.000 0.405 34 S N 0.168 115.899 115.700 0.051 0.000 2.480 34 S HA 0.432 4.903 4.470 0.001 0.000 0.286 34 S C 1.418 176.059 174.600 0.068 0.000 1.180 34 S CA 0.352 58.535 58.200 -0.029 0.000 1.075 34 S CB 0.680 63.829 63.200 -0.086 0.000 0.996 34 S HN 1.577 nan 8.310 nan 0.000 0.487 35 T N 2.414 116.925 114.554 -0.072 0.000 2.977 35 T HA 0.236 4.586 4.350 0.001 0.000 0.271 35 T C 0.617 175.209 174.700 -0.180 0.000 1.105 35 T CA 0.695 62.665 62.100 -0.216 0.000 1.116 35 T CB -0.249 68.442 68.868 -0.296 0.000 0.878 35 T HN 0.873 nan 8.240 nan 0.000 0.509 36 A N 1.155 123.897 122.820 -0.131 0.000 2.498 36 A HA 0.738 5.059 4.320 0.001 0.000 0.298 36 A C -3.014 174.556 177.584 -0.024 0.000 1.075 36 A CA -2.444 49.541 52.037 -0.086 0.000 0.714 36 A CB 1.027 19.963 19.000 -0.107 0.000 1.299 36 A HN 0.064 nan 8.150 nan 0.000 0.407 37 P HA 0.197 nan 4.420 nan 0.000 0.263 37 P C -0.510 176.832 177.300 0.069 0.000 1.162 37 P CA 1.034 64.161 63.100 0.046 0.000 0.758 37 P CB 0.438 32.155 31.700 0.029 0.000 0.773 38 A N 2.181 125.081 122.820 0.133 0.000 2.427 38 A HA 0.568 4.888 4.320 0.001 0.000 0.298 38 A C -0.266 177.422 177.584 0.174 0.000 1.036 38 A CA -0.502 51.650 52.037 0.190 0.000 0.701 38 A CB 0.818 20.025 19.000 0.345 0.000 1.250 38 A HN 0.486 nan 8.150 nan 0.000 0.412 39 T N 0.425 115.047 114.554 0.113 0.000 2.743 39 T HA 0.415 4.766 4.350 0.001 0.000 0.290 39 T C 0.173 174.878 174.700 0.009 0.000 0.908 39 T CA -0.285 61.843 62.100 0.047 0.000 1.092 39 T CB 0.350 69.225 68.868 0.010 0.000 0.882 39 T HN 1.080 nan 8.240 nan 0.000 0.531 40 V N 2.838 122.723 119.914 -0.049 0.000 2.863 40 V HA 0.750 4.870 4.120 0.001 0.000 0.307 40 V C -0.062 175.866 176.094 -0.277 0.000 1.061 40 V CA -0.384 61.768 62.300 -0.246 0.000 1.024 40 V CB 1.972 33.605 31.823 -0.316 0.000 1.049 40 V HN 1.060 nan 8.190 nan 0.000 0.471 41 S N 3.665 119.074 115.700 -0.485 0.000 2.720 41 S HA 0.838 5.309 4.470 0.001 0.000 0.278 41 S C -0.877 173.176 174.600 -0.910 0.000 1.172 41 S CA 0.179 58.019 58.200 -0.600 0.000 1.019 41 S CB 1.004 63.777 63.200 -0.712 0.000 1.049 41 S HN 1.603 nan 8.310 nan 0.000 0.483 42 A N 3.133 125.675 122.820 -0.464 0.000 2.549 42 A HA 0.837 5.157 4.320 0.001 0.000 0.297 42 A C -0.820 176.513 177.584 -0.418 0.000 1.061 42 A CA -0.626 51.177 52.037 -0.389 0.000 0.690 42 A CB 1.442 20.253 19.000 -0.315 0.000 1.287 42 A HN 1.555 nan 8.150 nan 0.000 0.402 43 V N -1.028 118.572 119.914 -0.523 0.000 2.769 43 V HA 0.994 5.115 4.120 0.001 0.000 0.312 43 V C -0.830 174.687 176.094 -0.962 0.000 1.061 43 V CA -0.934 61.043 62.300 -0.538 0.000 0.931 43 V CB 1.134 32.896 31.823 -0.101 0.000 1.010 43 V HN 0.778 nan 8.190 nan 0.000 0.433 44 F N -0.259 119.745 119.950 0.090 0.000 2.640 44 F HA 0.709 5.236 4.527 0.001 0.000 0.324 44 F C 0.720 176.554 175.800 0.057 0.000 1.077 44 F CA -0.813 57.228 58.000 0.069 0.000 0.965 44 F CB 1.832 40.871 39.000 0.064 0.000 1.351 44 F HN 0.721 nan 8.300 nan 0.000 0.487 45 T N 0.092 114.796 114.554 0.250 0.000 2.855 45 T HA 0.168 4.519 4.350 0.001 0.000 0.322 45 T C 0.764 175.554 174.700 0.149 0.000 1.088 45 T CA 0.089 62.282 62.100 0.155 0.000 1.104 45 T CB 0.404 69.353 68.868 0.134 0.000 0.996 45 T HN 0.675 nan 8.240 nan 0.000 0.549 46 R N 1.708 122.274 120.500 0.109 0.000 2.543 46 R HA 0.227 4.567 4.340 0.001 0.000 0.323 46 R C 0.836 177.185 176.300 0.082 0.000 1.002 46 R CA -0.318 55.837 56.100 0.092 0.000 1.106 46 R CB 0.335 30.681 30.300 0.076 0.000 1.280 46 R HN 0.573 nan 8.270 nan 0.000 0.549 47 S N 0.926 116.682 115.700 0.094 0.000 2.542 47 S HA -0.071 4.400 4.470 0.001 0.000 0.287 47 S C 1.327 175.991 174.600 0.107 0.000 1.315 47 S CA 0.055 58.320 58.200 0.108 0.000 1.037 47 S CB 0.574 63.850 63.200 0.126 0.000 0.822 47 S HN 0.250 nan 8.310 nan 0.000 0.513 48 R N 2.235 122.817 120.500 0.136 0.000 2.275 48 R HA 0.096 4.437 4.340 0.001 0.000 0.199 48 R C 0.122 176.440 176.300 0.030 0.000 0.989 48 R CA 0.681 56.833 56.100 0.086 0.000 1.016 48 R CB -0.280 30.085 30.300 0.108 0.000 0.918 48 R HN 0.673 nan 8.270 nan 0.000 0.473 49 F N 0.534 120.492 119.950 0.014 0.000 2.923 49 F HA 0.358 4.886 4.527 0.001 0.000 0.314 49 F C 0.416 176.223 175.800 0.011 0.000 1.196 49 F CA -0.707 57.298 58.000 0.009 0.000 1.320 49 F CB 0.350 39.354 39.000 0.007 0.000 0.953 49 F HN -0.176 nan 8.300 nan 0.000 0.505 50 A N 0.786 123.671 122.820 0.108 0.000 2.522 50 A HA 0.430 4.751 4.320 0.001 0.000 0.256 50 A C 1.103 178.718 177.584 0.052 0.000 1.086 50 A CA 0.340 52.426 52.037 0.081 0.000 0.763 50 A CB -0.458 18.575 19.000 0.054 0.000 1.024 50 A HN 0.476 nan 8.150 nan 0.000 0.502 51 G N 3.223 112.061 108.800 0.064 0.000 2.559 51 G HA2 0.346 4.307 3.960 0.001 0.000 0.235 51 G HA3 0.346 4.307 3.960 0.001 0.000 0.235 51 G C -0.629 174.279 174.900 0.014 0.000 1.266 51 G CA -0.379 44.745 45.100 0.040 0.000 0.847 51 G HN 0.598 nan 8.290 nan 0.000 0.583 52 P HA -0.142 nan 4.420 nan 0.000 0.220 52 P C 1.697 178.995 177.300 -0.003 0.000 1.144 52 P CA 1.428 64.527 63.100 -0.003 0.000 0.800 52 P CB 0.187 31.891 31.700 0.007 0.000 0.772 53 S N -0.022 115.691 115.700 0.021 0.000 2.368 53 S HA -0.087 4.383 4.470 0.001 0.000 0.225 53 S C 2.163 176.738 174.600 -0.043 0.000 1.030 53 S CA 1.188 59.403 58.200 0.024 0.000 0.999 53 S CB -1.219 62.027 63.200 0.076 0.000 0.844 53 S HN 0.028 nan 8.310 nan 0.000 0.459 54 V N 1.783 121.671 119.914 -0.043 0.000 2.343 54 V HA -0.157 3.963 4.120 0.001 0.000 0.247 54 V C 2.346 178.287 176.094 -0.254 0.000 1.051 54 V CA 1.464 63.686 62.300 -0.130 0.000 1.036 54 V CB -0.782 31.032 31.823 -0.015 0.000 0.654 54 V HN 0.350 nan 8.190 nan 0.000 0.451 55 V N -0.400 119.429 119.914 -0.141 0.000 2.295 55 V HA -0.276 3.844 4.120 0.001 0.000 0.246 55 V C 2.320 178.315 176.094 -0.165 0.000 1.049 55 V CA 1.981 64.200 62.300 -0.135 0.000 1.024 55 V CB -0.591 31.189 31.823 -0.072 0.000 0.648 55 V HN 0.427 nan 8.190 nan 0.000 0.447 56 L N -0.607 120.538 121.223 -0.130 0.000 2.012 56 L HA -0.244 4.096 4.340 0.001 0.000 0.210 56 L C 2.666 179.441 176.870 -0.158 0.000 1.073 56 L CA 1.906 56.683 54.840 -0.106 0.000 0.748 56 L CB -0.661 41.367 42.059 -0.053 0.000 0.891 56 L HN 0.431 nan 8.230 nan 0.000 0.431 57 C N -0.784 118.356 119.300 -0.267 0.000 2.411 57 C HA -0.156 4.305 4.460 0.001 0.000 0.279 57 C C 2.870 177.582 174.990 -0.463 0.000 1.288 57 C CA 0.501 59.317 59.018 -0.337 0.000 1.764 57 C CB -1.094 26.357 27.740 -0.483 0.000 1.974 57 C HN 0.424 nan 8.230 nan 0.000 0.498 58 R N 0.728 120.847 120.500 -0.635 0.000 2.091 58 R HA -0.141 4.200 4.340 0.001 0.000 0.238 58 R C 2.193 178.435 176.300 -0.097 0.000 1.136 58 R CA 1.545 57.443 56.100 -0.336 0.000 0.959 58 R CB -0.246 29.914 30.300 -0.233 0.000 0.856 58 R HN 0.668 nan 8.270 nan 0.000 0.437 59 E N -0.094 120.047 120.200 -0.098 0.000 2.051 59 E HA -0.186 4.165 4.350 0.001 0.000 0.192 59 E C 2.026 178.622 176.600 -0.006 0.000 0.991 59 E CA 1.180 57.558 56.400 -0.036 0.000 0.799 59 E CB -0.126 29.552 29.700 -0.036 0.000 0.748 59 E HN 0.361 nan 8.360 nan 0.000 0.449 60 A N 1.419 124.234 122.820 -0.008 0.000 1.877 60 A HA -0.147 4.174 4.320 0.001 0.000 0.216 60 A C 2.457 180.072 177.584 0.052 0.000 1.186 60 A CA 1.686 53.739 52.037 0.028 0.000 0.620 60 A CB -0.840 18.183 19.000 0.039 0.000 0.822 60 A HN 0.248 nan 8.150 nan 0.000 0.443 61 V N -2.812 117.147 119.914 0.075 0.000 3.592 61 V HA 0.333 4.454 4.120 0.001 0.000 0.272 61 V C 2.027 178.165 176.094 0.073 0.000 1.228 61 V CA 0.919 63.271 62.300 0.086 0.000 1.173 61 V CB -1.314 30.602 31.823 0.156 0.000 0.873 61 V HN 0.522 nan 8.190 nan 0.000 0.476 62 A N 2.360 125.216 122.820 0.060 0.000 1.917 62 A HA -0.225 4.095 4.320 0.001 0.000 0.219 62 A C 1.765 179.374 177.584 0.041 0.000 1.182 62 A CA 2.036 54.104 52.037 0.051 0.000 0.633 62 A CB -0.640 18.381 19.000 0.035 0.000 0.819 62 A HN 0.830 nan 8.150 nan 0.000 0.448 63 D N -1.954 118.468 120.400 0.036 0.000 2.587 63 D HA 0.317 4.958 4.640 0.001 0.000 0.233 63 D C 0.965 177.282 176.300 0.028 0.000 1.213 63 D CA 0.331 54.349 54.000 0.030 0.000 0.827 63 D CB -0.917 39.900 40.800 0.029 0.000 1.006 63 D HN 0.665 nan 8.370 nan 0.000 0.490 64 G N -0.776 108.038 108.800 0.024 0.000 2.269 64 G HA2 -0.206 3.755 3.960 0.001 0.000 0.277 64 G HA3 -0.206 3.755 3.960 0.001 0.000 0.277 64 G C 0.322 175.233 174.900 0.018 0.000 1.008 64 G CA 0.892 45.996 45.100 0.007 0.000 0.774 64 G HN 0.956 nan 8.290 nan 0.000 0.511 65 Q N -1.447 118.376 119.800 0.039 0.000 2.321 65 Q HA 1.032 5.373 4.340 0.001 0.000 0.270 65 Q C -0.344 175.716 176.000 0.099 0.000 1.032 65 Q CA 0.280 56.123 55.803 0.067 0.000 0.784 65 Q CB 2.116 30.889 28.738 0.058 0.000 1.264 65 Q HN 2.302 nan 8.270 nan 0.000 0.448 66 A N 1.558 124.477 122.820 0.165 0.000 2.565 66 A HA 0.700 5.021 4.320 0.001 0.000 0.298 66 A C -0.296 177.515 177.584 0.378 0.000 1.062 66 A CA -0.487 51.700 52.037 0.249 0.000 0.723 66 A CB 1.360 20.520 19.000 0.266 0.000 1.282 66 A HN 0.577 nan 8.150 nan 0.000 0.400 67 R N 0.665 121.318 120.500 0.256 0.000 2.397 67 R HA 0.369 4.709 4.340 0.001 0.000 0.241 67 R C 0.618 176.910 176.300 -0.013 0.000 0.914 67 R CA 0.923 57.118 56.100 0.157 0.000 1.071 67 R CB 1.233 31.610 30.300 0.128 0.000 1.116 67 R HN 1.242 nan 8.270 nan 0.000 0.524 68 G N -0.496 108.305 108.800 0.001 0.000 2.466 68 G HA2 0.306 4.267 3.960 0.001 0.000 0.291 68 G HA3 0.306 4.267 3.960 0.001 0.000 0.291 68 G C -1.963 172.921 174.900 -0.028 0.000 1.460 68 G CA -0.394 44.581 45.100 -0.207 0.000 0.791 68 G HN -0.051 nan 8.290 nan 0.000 0.505 69 V N 0.394 120.216 119.914 -0.152 0.000 2.567 69 V HA 0.657 4.778 4.120 0.001 0.000 0.298 69 V C -0.823 175.112 176.094 -0.266 0.000 1.047 69 V CA -0.725 61.506 62.300 -0.116 0.000 0.880 69 V CB 1.182 32.958 31.823 -0.079 0.000 1.009 69 V HN 1.186 nan 8.190 nan 0.000 0.429 70 V N 8.020 127.805 119.914 -0.216 0.000 2.530 70 V HA 0.662 4.783 4.120 0.001 0.000 0.282 70 V C -0.331 175.576 176.094 -0.312 0.000 1.048 70 V CA 0.424 62.534 62.300 -0.318 0.000 0.997 70 V CB 1.643 33.334 31.823 -0.220 0.000 0.987 70 V HN 0.789 nan 8.190 nan 0.000 0.477 71 V N 7.329 126.992 119.914 -0.417 0.000 2.789 71 V HA 0.589 4.710 4.120 0.001 0.000 0.311 71 V C -0.809 175.137 176.094 -0.246 0.000 1.073 71 V CA -0.750 61.398 62.300 -0.254 0.000 0.921 71 V CB 1.787 33.474 31.823 -0.226 0.000 1.009 71 V HN 0.708 nan 8.190 nan 0.000 0.426 72 L N 3.313 124.500 121.223 -0.061 0.000 2.386 72 L HA 0.923 5.263 4.340 0.001 0.000 0.271 72 L C 0.056 176.976 176.870 0.083 0.000 0.993 72 L CA -0.382 54.469 54.840 0.018 0.000 0.819 72 L CB 1.987 44.116 42.059 0.116 0.000 1.294 72 L HN 0.807 nan 8.230 nan 0.000 0.414 73 A N 1.998 124.861 122.820 0.071 0.000 2.342 73 A HA 0.916 5.236 4.320 0.001 0.000 0.323 73 A C 0.446 178.074 177.584 0.073 0.000 1.125 73 A CA -0.264 51.814 52.037 0.068 0.000 0.785 73 A CB 1.214 20.240 19.000 0.042 0.000 1.221 73 A HN 0.714 nan 8.150 nan 0.000 0.463 74 R N -0.586 119.952 120.500 0.063 0.000 2.777 74 R HA -0.100 4.240 4.340 0.001 0.000 0.454 74 R C -0.369 175.962 176.300 0.052 0.000 0.458 74 R CA 1.391 57.521 56.100 0.050 0.000 1.408 74 R CB -1.421 28.907 30.300 0.046 0.000 2.024 74 R HN 0.795 nan 8.270 nan 0.000 0.319 75 N N -0.352 118.395 118.700 0.078 0.000 2.500 75 N HA 0.511 5.252 4.740 0.001 0.000 0.291 75 N C 0.190 175.712 175.510 0.020 0.000 1.092 75 N CA 0.526 53.599 53.050 0.038 0.000 0.890 75 N CB 1.807 40.332 38.487 0.064 0.000 1.466 75 N HN 0.132 nan 8.380 nan 0.000 0.507 76 A N 3.347 126.152 122.820 -0.025 0.000 2.119 76 A HA -0.013 4.308 4.320 0.001 0.000 0.216 76 A C 0.844 178.373 177.584 -0.092 0.000 1.152 76 A CA 0.735 52.764 52.037 -0.014 0.000 0.708 76 A CB -0.572 18.429 19.000 0.001 0.000 0.805 76 A HN 0.868 nan 8.150 nan 0.000 0.460 77 N N -1.261 117.284 118.700 -0.257 0.000 2.671 77 N HA -0.141 4.599 4.740 0.001 0.000 0.261 77 N C -0.985 174.437 175.510 -0.147 0.000 1.053 77 N CA 0.907 53.722 53.050 -0.392 0.000 0.732 77 N CB -1.511 36.540 38.487 -0.726 0.000 0.887 77 N HN 0.224 nan 8.380 nan 0.000 0.546 78 V N 0.762 120.628 119.914 -0.079 0.000 2.962 78 V HA 0.833 4.954 4.120 0.001 0.000 0.313 78 V C 1.066 177.180 176.094 0.033 0.000 1.099 78 V CA -0.287 62.017 62.300 0.008 0.000 0.971 78 V CB 1.517 33.368 31.823 0.046 0.000 1.028 78 V HN 0.907 nan 8.190 nan 0.000 0.430 79 A N 2.316 125.195 122.820 0.099 0.000 2.816 79 A HA -0.213 4.107 4.320 0.001 0.000 0.270 79 A C 1.219 178.831 177.584 0.047 0.000 1.413 79 A CA 1.714 53.827 52.037 0.126 0.000 0.866 79 A CB -2.194 16.898 19.000 0.154 0.000 1.032 79 A HN 1.591 nan 8.150 nan 0.000 0.642 80 T N -3.294 111.263 114.554 0.006 0.000 3.086 80 T HA 0.487 4.838 4.350 0.001 0.000 0.250 80 T C 2.219 176.916 174.700 -0.006 0.000 1.074 80 T CA 1.233 63.322 62.100 -0.017 0.000 0.988 80 T CB 0.037 68.867 68.868 -0.063 0.000 0.988 80 T HN 2.501 nan 8.240 nan 0.000 0.530 81 G N 2.119 110.919 108.800 -0.000 0.000 2.564 81 G HA2 -0.329 3.632 3.960 0.001 0.000 0.273 81 G HA3 -0.329 3.632 3.960 0.001 0.000 0.273 81 G C 0.585 175.482 174.900 -0.005 0.000 1.242 81 G CA 0.139 45.236 45.100 -0.005 0.000 0.951 81 G HN 0.663 nan 8.290 nan 0.000 0.564 82 L N 0.341 121.562 121.223 -0.003 0.000 1.971 82 L HA -0.051 4.290 4.340 0.001 0.000 0.215 82 L C 2.803 179.678 176.870 0.010 0.000 1.072 82 L CA 3.126 57.967 54.840 0.001 0.000 0.758 82 L CB -0.623 41.436 42.059 0.001 0.000 0.889 82 L HN 0.941 nan 8.230 nan 0.000 0.433 83 E N -0.498 119.708 120.200 0.011 0.000 2.086 83 E HA -0.288 4.062 4.350 0.001 0.000 0.205 83 E C 2.003 178.619 176.600 0.028 0.000 1.027 83 E CA 1.858 58.269 56.400 0.020 0.000 0.830 83 E CB -0.664 29.046 29.700 0.017 0.000 0.751 83 E HN 0.680 nan 8.360 nan 0.000 0.456 84 G N 0.370 109.177 108.800 0.011 0.000 2.514 84 G HA2 -0.355 3.605 3.960 0.001 0.000 0.217 84 G HA3 -0.355 3.605 3.960 0.001 0.000 0.217 84 G C 1.309 176.230 174.900 0.034 0.000 1.198 84 G CA 1.233 46.335 45.100 0.004 0.000 0.780 84 G HN 0.451 nan 8.290 nan 0.000 0.565 85 E N 0.187 120.400 120.200 0.022 0.000 2.049 85 E HA -0.170 4.180 4.350 0.001 0.000 0.198 85 E C 2.323 178.949 176.600 0.044 0.000 1.007 85 E CA 1.226 57.643 56.400 0.027 0.000 0.809 85 E CB -0.242 29.464 29.700 0.010 0.000 0.749 85 E HN 0.616 nan 8.360 nan 0.000 0.450 86 E N 0.728 120.950 120.200 0.037 0.000 2.086 86 E HA -0.264 4.087 4.350 0.001 0.000 0.200 86 E C 1.860 178.498 176.600 0.063 0.000 1.012 86 E CA 1.558 57.981 56.400 0.040 0.000 0.812 86 E CB 0.007 29.726 29.700 0.031 0.000 0.743 86 E HN 0.114 nan 8.360 nan 0.000 0.453 87 N N -0.073 118.683 118.700 0.094 0.000 2.205 87 N HA -0.171 4.570 4.740 0.001 0.000 0.186 87 N C 1.281 176.894 175.510 0.172 0.000 1.015 87 N CA 1.225 54.368 53.050 0.155 0.000 0.862 87 N CB -0.321 38.320 38.487 0.256 0.000 0.986 87 N HN 0.282 nan 8.380 nan 0.000 0.429 88 A N 1.257 124.172 122.820 0.158 0.000 1.825 88 A HA -0.078 4.243 4.320 0.001 0.000 0.214 88 A C 2.089 179.718 177.584 0.075 0.000 1.206 88 A CA 1.236 53.358 52.037 0.142 0.000 0.609 88 A CB -0.561 18.504 19.000 0.109 0.000 0.851 88 A HN 0.200 nan 8.150 nan 0.000 0.445 89 R N -0.362 120.169 120.500 0.051 0.000 2.153 89 R HA -0.218 4.122 4.340 0.001 0.000 0.252 89 R C 2.255 178.570 176.300 0.025 0.000 1.158 89 R CA 1.706 57.824 56.100 0.029 0.000 0.975 89 R CB -0.429 29.884 30.300 0.021 0.000 0.871 89 R HN 0.753 nan 8.270 nan 0.000 0.450 90 E N 0.407 120.625 120.200 0.030 0.000 2.007 90 E HA -0.173 4.177 4.350 0.001 0.000 0.194 90 E C 2.027 178.632 176.600 0.008 0.000 0.999 90 E CA 1.620 58.031 56.400 0.017 0.000 0.811 90 E CB 0.067 29.779 29.700 0.021 0.000 0.762 90 E HN 0.096 nan 8.360 nan 0.000 0.450 91 V N 1.737 121.656 119.914 0.009 0.000 2.453 91 V HA -0.278 3.842 4.120 0.001 0.000 0.252 91 V C 2.565 178.671 176.094 0.021 0.000 1.068 91 V CA 1.702 64.003 62.300 0.002 0.000 1.070 91 V CB -0.630 31.170 31.823 -0.037 0.000 0.664 91 V HN 0.251 nan 8.190 nan 0.000 0.461 92 R N 0.279 120.789 120.500 0.017 0.000 2.056 92 R HA -0.113 4.228 4.340 0.001 0.000 0.227 92 R C 2.563 178.863 176.300 0.000 0.000 1.149 92 R CA 1.864 57.970 56.100 0.010 0.000 0.937 92 R CB -0.626 29.682 30.300 0.013 0.000 0.835 92 R HN 0.613 nan 8.270 nan 0.000 0.430 93 E N 0.516 120.716 120.200 0.001 0.000 2.209 93 E HA -0.128 4.222 4.350 0.001 0.000 0.196 93 E C 1.828 178.419 176.600 -0.016 0.000 0.993 93 E CA 1.455 57.852 56.400 -0.005 0.000 0.819 93 E CB -0.594 29.104 29.700 -0.003 0.000 0.745 93 E HN 0.582 nan 8.360 nan 0.000 0.477 94 A N 0.401 123.211 122.820 -0.017 0.000 1.835 94 A HA -0.013 4.307 4.320 0.001 0.000 0.215 94 A C 2.723 180.280 177.584 -0.045 0.000 1.199 94 A CA 2.025 54.043 52.037 -0.033 0.000 0.615 94 A CB -0.769 18.211 19.000 -0.033 0.000 0.838 94 A HN 0.559 nan 8.150 nan 0.000 0.444 95 V N 0.150 120.051 119.914 -0.022 0.000 2.392 95 V HA -0.276 3.844 4.120 0.001 0.000 0.249 95 V C 3.035 179.078 176.094 -0.085 0.000 1.059 95 V CA 2.028 64.306 62.300 -0.037 0.000 1.051 95 V CB -1.443 30.393 31.823 0.023 0.000 0.658 95 V HN 0.646 nan 8.190 nan 0.000 0.455 96 A N 0.471 123.258 122.820 -0.055 0.000 1.883 96 A HA -0.254 4.067 4.320 0.001 0.000 0.217 96 A C 2.547 180.103 177.584 -0.048 0.000 1.186 96 A CA 2.663 54.672 52.037 -0.048 0.000 0.624 96 A CB -0.785 18.205 19.000 -0.017 0.000 0.822 96 A HN 0.536 nan 8.150 nan 0.000 0.444 97 R N -0.653 119.822 120.500 -0.043 0.000 2.241 97 R HA 0.213 4.553 4.340 0.001 0.000 0.224 97 R C 2.286 178.553 176.300 -0.055 0.000 1.101 97 R CA 2.121 58.199 56.100 -0.036 0.000 0.995 97 R CB -1.573 28.706 30.300 -0.035 0.000 0.870 97 R HN 0.869 nan 8.270 nan 0.000 0.463 98 A N 0.889 123.647 122.820 -0.102 0.000 1.831 98 A HA 0.174 4.494 4.320 0.001 0.000 0.213 98 A C 2.307 179.792 177.584 -0.165 0.000 1.223 98 A CA 1.113 53.060 52.037 -0.149 0.000 0.604 98 A CB -0.255 18.610 19.000 -0.224 0.000 0.878 98 A HN 0.389 nan 8.150 nan 0.000 0.450 99 L N -0.501 120.539 121.223 -0.305 0.000 2.450 99 L HA 0.037 4.377 4.340 0.001 0.000 0.224 99 L C 1.578 178.582 176.870 0.223 0.000 1.149 99 L CA 0.663 55.266 54.840 -0.394 0.000 0.816 99 L CB -0.818 40.787 42.059 -0.757 0.000 0.932 99 L HN 0.711 nan 8.230 nan 0.000 0.449 100 G N 0.537 109.393 108.800 0.094 0.000 2.171 100 G HA2 -0.244 3.717 3.960 0.001 0.000 0.238 100 G HA3 -0.244 3.717 3.960 0.001 0.000 0.238 100 G C -0.060 174.911 174.900 0.117 0.000 1.039 100 G CA -0.183 44.992 45.100 0.125 0.000 0.759 100 G HN 0.234 nan 8.290 nan 0.000 0.501 101 L N 0.523 121.794 121.223 0.080 0.000 2.344 101 L HA 0.587 4.927 4.340 0.001 0.000 0.272 101 L C -1.559 175.337 176.870 0.044 0.000 1.035 101 L CA -2.539 52.346 54.840 0.075 0.000 0.807 101 L CB 1.447 43.549 42.059 0.071 0.000 1.237 101 L HN -0.053 nan 8.230 nan 0.000 0.442 102 P HA 0.004 nan 4.420 nan 0.000 0.271 102 P C 0.273 177.591 177.300 0.029 0.000 1.226 102 P CA -0.034 63.086 63.100 0.034 0.000 0.765 102 P CB 1.033 32.755 31.700 0.037 0.000 0.835 103 E N 3.276 123.488 120.200 0.019 0.000 2.197 103 E HA -0.237 4.114 4.350 0.001 0.000 0.205 103 E C 1.758 178.370 176.600 0.020 0.000 1.029 103 E CA 1.957 58.365 56.400 0.014 0.000 0.828 103 E CB -0.576 29.130 29.700 0.010 0.000 0.737 103 E HN 0.718 nan 8.360 nan 0.000 0.464 104 G N -0.529 108.286 108.800 0.026 0.000 2.920 104 G HA2 -0.103 3.858 3.960 0.001 0.000 0.208 104 G HA3 -0.103 3.858 3.960 0.001 0.000 0.208 104 G C 0.707 175.636 174.900 0.048 0.000 1.159 104 G CA -0.066 45.052 45.100 0.030 0.000 0.784 104 G HN 0.239 nan 8.290 nan 0.000 0.535 105 E N -0.622 119.613 120.200 0.059 0.000 2.569 105 E HA 0.270 4.621 4.350 0.001 0.000 0.205 105 E C -0.331 176.334 176.600 0.109 0.000 1.006 105 E CA -0.329 56.125 56.400 0.090 0.000 0.985 105 E CB 0.491 30.245 29.700 0.091 0.000 1.060 105 E HN 0.267 nan 8.360 nan 0.000 0.460 106 M N 1.786 121.434 119.600 0.078 0.000 2.142 106 M HA 0.315 4.795 4.480 0.001 0.000 0.299 106 M C -1.635 174.705 176.300 0.066 0.000 0.960 106 M CA -0.431 54.908 55.300 0.065 0.000 0.920 106 M CB 0.881 33.489 32.600 0.014 0.000 1.541 106 M HN -0.124 nan 8.290 nan 0.000 0.429 107 L N 4.840 126.129 121.223 0.109 0.000 2.439 107 L HA 0.649 4.990 4.340 0.001 0.000 0.259 107 L C -0.447 176.446 176.870 0.039 0.000 1.129 107 L CA -0.914 53.983 54.840 0.095 0.000 0.803 107 L CB 1.351 43.518 42.059 0.180 0.000 1.161 107 L HN 0.778 nan 8.230 nan 0.000 0.462 108 I N 0.705 121.296 120.570 0.036 0.000 2.619 108 I HA 0.696 4.867 4.170 0.001 0.000 0.292 108 I C -1.212 174.943 176.117 0.064 0.000 1.100 108 I CA -0.297 61.012 61.300 0.015 0.000 1.043 108 I CB 1.911 39.923 38.000 0.020 0.000 1.239 108 I HN 0.706 nan 8.210 nan 0.000 0.420 109 A N 4.732 127.591 122.820 0.065 0.000 2.398 109 A HA 0.745 5.066 4.320 0.001 0.000 0.301 109 A C -1.273 176.393 177.584 0.136 0.000 1.041 109 A CA -0.466 51.658 52.037 0.145 0.000 0.711 109 A CB 1.857 21.014 19.000 0.263 0.000 1.240 109 A HN 0.555 nan 8.150 nan 0.000 0.420 110 S N 0.883 116.675 115.700 0.153 0.000 2.519 110 S HA 0.754 5.225 4.470 0.001 0.000 0.309 110 S C -0.539 174.133 174.600 0.119 0.000 1.100 110 S CA -0.199 58.100 58.200 0.164 0.000 1.059 110 S CB 1.242 64.571 63.200 0.216 0.000 1.008 110 S HN 1.111 nan 8.310 nan 0.000 0.478 111 T N 3.143 117.761 114.554 0.108 0.000 2.876 111 T HA 0.813 5.164 4.350 0.001 0.000 0.289 111 T C 0.269 175.004 174.700 0.059 0.000 1.014 111 T CA 0.704 62.849 62.100 0.075 0.000 0.986 111 T CB 0.845 69.755 68.868 0.070 0.000 1.021 111 T HN 1.297 nan 8.240 nan 0.000 0.458 112 G N 2.334 111.156 108.800 0.037 0.000 2.240 112 G HA2 0.097 4.057 3.960 0.001 0.000 0.199 112 G HA3 0.097 4.057 3.960 0.001 0.000 0.199 112 G C -0.900 174.003 174.900 0.005 0.000 1.342 112 G CA -0.206 44.908 45.100 0.024 0.000 1.145 112 G HN 0.932 nan 8.290 nan 0.000 0.477 113 V N 1.410 121.323 119.914 -0.002 0.000 2.740 113 V HA 0.377 4.497 4.120 0.001 0.000 0.303 113 V C 0.804 176.880 176.094 -0.029 0.000 1.054 113 V CA 0.423 62.713 62.300 -0.016 0.000 1.106 113 V CB 0.903 32.717 31.823 -0.015 0.000 0.957 113 V HN 0.531 nan 8.190 nan 0.000 0.486 114 I N 3.332 123.884 120.570 -0.031 0.000 2.392 114 I HA 0.623 4.794 4.170 0.001 0.000 0.295 114 I C 1.140 177.238 176.117 -0.033 0.000 0.985 114 I CA 0.644 61.925 61.300 -0.033 0.000 1.221 114 I CB 1.462 39.441 38.000 -0.035 0.000 1.366 114 I HN 0.863 nan 8.210 nan 0.000 0.467 115 G N 3.196 111.977 108.800 -0.030 0.000 2.254 115 G HA2 -0.221 3.740 3.960 0.001 0.000 0.225 115 G HA3 -0.221 3.740 3.960 0.001 0.000 0.225 115 G C 0.412 175.294 174.900 -0.031 0.000 1.003 115 G CA 0.062 45.149 45.100 -0.022 0.000 0.622 115 G HN 0.852 nan 8.290 nan 0.000 0.507 116 R N 0.735 121.208 120.500 -0.045 0.000 2.486 116 R HA 0.807 5.147 4.340 0.001 0.000 0.286 116 R C 0.304 176.558 176.300 -0.078 0.000 0.999 116 R CA -0.327 55.748 56.100 -0.042 0.000 0.993 116 R CB 0.338 30.621 30.300 -0.027 0.000 1.084 116 R HN 0.428 nan 8.270 nan 0.000 0.487 117 Q N 0.708 120.478 119.800 -0.050 0.000 2.260 117 Q HA 0.258 4.599 4.340 0.001 0.000 0.238 117 Q C -0.641 175.358 176.000 -0.001 0.000 0.948 117 Q CA -0.460 55.309 55.803 -0.057 0.000 0.895 117 Q CB 0.842 29.580 28.738 0.000 0.000 1.218 117 Q HN 0.645 nan 8.270 nan 0.000 0.470 118 Y N 2.036 122.352 120.300 0.026 0.000 2.578 118 Y HA -0.012 4.539 4.550 0.001 0.000 0.339 118 Y C -1.210 174.703 175.900 0.022 0.000 1.231 118 Y CA -1.331 56.787 58.100 0.030 0.000 1.461 118 Y CB -0.039 38.444 38.460 0.040 0.000 1.323 118 Y HN 0.381 nan 8.280 nan 0.000 0.590 119 P HA -0.018 nan 4.420 nan 0.000 0.226 119 P C 0.644 177.985 177.300 0.069 0.000 1.758 119 P CA 0.210 63.372 63.100 0.104 0.000 0.896 119 P CB -0.012 31.734 31.700 0.077 0.000 1.784 120 M N 0.144 119.797 119.600 0.089 0.000 2.254 120 M HA -0.257 4.223 4.480 0.001 0.000 0.252 120 M C 2.119 178.424 176.300 0.008 0.000 1.094 120 M CA 2.395 57.719 55.300 0.040 0.000 1.053 120 M CB -2.074 30.561 32.600 0.058 0.000 1.371 120 M HN 0.263 nan 8.290 nan 0.000 0.405 121 E N -0.038 120.170 120.200 0.014 0.000 2.023 121 E HA -0.194 4.157 4.350 0.001 0.000 0.196 121 E C 2.196 178.789 176.600 -0.013 0.000 1.003 121 E CA 2.131 58.532 56.400 0.001 0.000 0.809 121 E CB -1.110 28.593 29.700 0.006 0.000 0.755 121 E HN 0.574 nan 8.360 nan 0.000 0.449 122 S N -0.527 115.165 115.700 -0.013 0.000 2.368 122 S HA -0.065 4.406 4.470 0.001 0.000 0.224 122 S C 2.148 176.717 174.600 -0.053 0.000 1.029 122 S CA 1.131 59.314 58.200 -0.029 0.000 0.988 122 S CB -0.453 62.730 63.200 -0.028 0.000 0.838 122 S HN 0.511 nan 8.310 nan 0.000 0.462 123 I N 1.235 121.763 120.570 -0.070 0.000 2.072 123 I HA -0.226 3.945 4.170 0.001 0.000 0.235 123 I C 2.818 178.868 176.117 -0.112 0.000 1.058 123 I CA 1.560 62.784 61.300 -0.127 0.000 1.320 123 I CB -0.522 37.392 38.000 -0.143 0.000 1.047 123 I HN 0.282 nan 8.210 nan 0.000 0.397 124 R N 0.641 121.091 120.500 -0.083 0.000 2.159 124 R HA -0.295 4.046 4.340 0.001 0.000 0.249 124 R C 2.495 178.748 176.300 -0.078 0.000 1.136 124 R CA 2.582 58.637 56.100 -0.076 0.000 0.951 124 R CB -1.218 29.054 30.300 -0.047 0.000 0.876 124 R HN 0.571 nan 8.270 nan 0.000 0.440 125 E N 1.014 121.181 120.200 -0.054 0.000 2.035 125 E HA -0.326 4.025 4.350 0.001 0.000 0.204 125 E C 1.714 178.284 176.600 -0.051 0.000 1.025 125 E CA 2.170 58.545 56.400 -0.042 0.000 0.835 125 E CB -1.227 28.460 29.700 -0.023 0.000 0.764 125 E HN 0.708 nan 8.360 nan 0.000 0.457 126 H N -0.072 118.900 119.070 -0.163 0.000 2.293 126 H HA 0.117 4.674 4.556 0.001 0.000 0.300 126 H C 2.149 177.336 175.328 -0.235 0.000 1.082 126 H CA 1.589 57.514 56.048 -0.205 0.000 1.308 126 H CB -0.469 29.113 29.762 -0.299 0.000 1.375 126 H HN 0.306 nan 8.280 nan 0.000 0.495 127 L N 0.015 121.033 121.223 -0.341 0.000 2.661 127 L HA -0.154 4.186 4.340 0.001 0.000 0.236 127 L C 2.005 178.713 176.870 -0.272 0.000 1.176 127 L CA 1.512 56.140 54.840 -0.352 0.000 0.836 127 L CB -0.446 41.483 42.059 -0.216 0.000 0.960 127 L HN 0.548 nan 8.230 nan 0.000 0.455 128 K N -0.993 119.264 120.400 -0.238 0.000 2.358 128 K HA 0.077 4.398 4.320 0.001 0.000 0.197 128 K C 1.443 177.936 176.600 -0.178 0.000 1.025 128 K CA 0.761 56.947 56.287 -0.169 0.000 1.104 128 K CB -0.331 32.102 32.500 -0.112 0.000 0.855 128 K HN 0.467 nan 8.250 nan 0.000 0.531 129 T N -2.611 111.788 114.554 -0.259 0.000 3.004 129 T HA 0.286 4.637 4.350 0.001 0.000 0.266 129 T C 0.545 175.080 174.700 -0.275 0.000 0.986 129 T CA -0.191 61.779 62.100 -0.217 0.000 0.902 129 T CB -0.383 68.382 68.868 -0.171 0.000 1.118 129 T HN 0.176 nan 8.240 nan 0.000 0.522 130 L N 2.811 123.796 121.223 -0.396 0.000 2.525 130 L HA 0.527 4.867 4.340 0.001 0.000 0.278 130 L C 0.179 176.863 176.870 -0.310 0.000 1.218 130 L CA 1.346 55.920 54.840 -0.444 0.000 0.878 130 L CB -0.407 41.382 42.059 -0.449 0.000 1.127 130 L HN 0.558 nan 8.230 nan 0.000 0.492 131 E N 3.501 123.518 120.200 -0.305 0.000 2.449 131 E HA 0.344 4.694 4.350 0.001 0.000 0.278 131 E C -1.547 174.941 176.600 -0.186 0.000 0.992 131 E CA -0.692 55.600 56.400 -0.180 0.000 0.807 131 E CB 0.209 29.867 29.700 -0.069 0.000 1.350 131 E HN 0.624 nan 8.360 nan 0.000 0.462 132 W N 2.510 123.755 121.300 -0.092 0.000 2.347 132 W HA 0.328 4.989 4.660 0.001 0.000 0.333 132 W C -1.633 174.852 176.519 -0.057 0.000 1.383 132 W CA -0.439 56.862 57.345 -0.072 0.000 1.283 132 W CB 0.707 30.135 29.460 -0.054 0.000 1.253 132 W HN 0.355 nan 8.180 nan 0.000 0.563 133 P HA 0.163 nan 4.420 nan 0.000 0.275 133 P C -0.314 177.085 177.300 0.166 0.000 1.276 133 P CA -0.093 63.083 63.100 0.127 0.000 0.782 133 P CB 0.413 32.182 31.700 0.115 0.000 0.851 134 A N 3.735 126.629 122.820 0.122 0.000 2.531 134 A HA 0.453 4.774 4.320 0.001 0.000 0.236 134 A C 1.022 178.658 177.584 0.086 0.000 1.062 134 A CA 0.877 52.970 52.037 0.094 0.000 0.760 134 A CB -0.985 18.053 19.000 0.064 0.000 0.995 134 A HN 0.965 nan 8.150 nan 0.000 0.501 135 G N 1.901 110.744 108.800 0.072 0.000 2.879 135 G HA2 -0.017 3.943 3.960 0.001 0.000 0.686 135 G HA3 -0.017 3.943 3.960 0.001 0.000 0.686 135 G C -0.513 174.441 174.900 0.089 0.000 1.115 135 G CA -0.024 45.118 45.100 0.070 0.000 0.770 135 G HN 0.992 nan 8.290 nan 0.000 0.601 136 E N 0.341 120.594 120.200 0.089 0.000 3.099 136 E HA 0.685 5.036 4.350 0.001 0.000 0.259 136 E C 1.206 177.890 176.600 0.139 0.000 1.274 136 E CA -0.066 56.405 56.400 0.119 0.000 1.111 136 E CB 0.516 30.286 29.700 0.117 0.000 1.327 136 E HN 2.179 nan 8.360 nan 0.000 0.652 137 G N -1.190 107.733 108.800 0.205 0.000 2.752 137 G HA2 -0.009 3.952 3.960 0.001 0.000 0.234 137 G HA3 -0.009 3.952 3.960 0.001 0.000 0.234 137 G C 0.630 175.611 174.900 0.135 0.000 1.367 137 G CA -0.002 45.249 45.100 0.251 0.000 0.879 137 G HN 1.226 nan 8.290 nan 0.000 0.563 138 G N -3.086 105.808 108.800 0.157 0.000 2.273 138 G HA2 0.042 4.002 3.960 0.001 0.000 0.162 138 G HA3 0.042 4.002 3.960 0.001 0.000 0.162 138 G C 1.045 175.950 174.900 0.007 0.000 1.006 138 G CA 0.484 45.607 45.100 0.039 0.000 0.704 138 G HN 1.283 nan 8.290 nan 0.000 0.487 139 F N 1.720 121.689 119.950 0.032 0.000 2.154 139 F HA -0.018 4.509 4.527 0.001 0.000 0.301 139 F C 2.875 178.681 175.800 0.009 0.000 1.087 139 F CA 2.701 60.709 58.000 0.014 0.000 1.274 139 F CB -0.633 38.373 39.000 0.010 0.000 1.009 139 F HN 0.350 nan 8.300 nan 0.000 0.485 140 D N 1.008 121.525 120.400 0.195 0.000 2.106 140 D HA -0.239 4.402 4.640 0.001 0.000 0.191 140 D C 2.008 178.346 176.300 0.063 0.000 0.997 140 D CA 1.982 56.047 54.000 0.109 0.000 0.834 140 D CB -1.029 39.822 40.800 0.086 0.000 0.956 140 D HN 0.512 nan 8.370 nan 0.000 0.448 141 R N -0.346 120.178 120.500 0.040 0.000 2.276 141 R HA 0.470 4.810 4.340 0.001 0.000 0.203 141 R C 2.448 178.739 176.300 -0.014 0.000 1.017 141 R CA 1.054 57.159 56.100 0.008 0.000 1.010 141 R CB -0.004 30.294 30.300 -0.003 0.000 0.900 141 R HN 0.386 nan 8.270 nan 0.000 0.469 142 A N 1.947 124.756 122.820 -0.017 0.000 1.874 142 A HA 0.166 4.487 4.320 0.001 0.000 0.214 142 A C 2.488 180.077 177.584 0.009 0.000 1.189 142 A CA 0.948 52.957 52.037 -0.046 0.000 0.615 142 A CB -0.639 18.297 19.000 -0.107 0.000 0.830 142 A HN 0.418 nan 8.150 nan 0.000 0.443 143 A N -0.245 122.604 122.820 0.048 0.000 2.084 143 A HA -0.206 4.114 4.320 0.001 0.000 0.221 143 A C 2.207 179.809 177.584 0.029 0.000 1.161 143 A CA 1.720 53.789 52.037 0.053 0.000 0.653 143 A CB -0.445 18.592 19.000 0.061 0.000 0.802 143 A HN 0.561 nan 8.150 nan 0.000 0.457 144 R N -1.275 119.236 120.500 0.018 0.000 2.112 144 R HA 0.133 4.474 4.340 0.001 0.000 0.216 144 R C 2.474 178.774 176.300 0.001 0.000 1.080 144 R CA 0.891 56.996 56.100 0.009 0.000 0.996 144 R CB -0.265 30.038 30.300 0.005 0.000 0.902 144 R HN 0.480 nan 8.270 nan 0.000 0.449 145 A N 1.919 124.733 122.820 -0.011 0.000 1.968 145 A HA -0.097 4.223 4.320 0.001 0.000 0.217 145 A C 2.156 179.738 177.584 -0.003 0.000 1.169 145 A CA 1.061 53.085 52.037 -0.021 0.000 0.638 145 A CB -0.563 18.403 19.000 -0.057 0.000 0.812 145 A HN 0.441 nan 8.150 nan 0.000 0.446 146 I N -2.810 117.771 120.570 0.018 0.000 2.493 146 I HA -0.048 4.122 4.170 0.001 0.000 0.254 146 I C 0.940 177.081 176.117 0.039 0.000 1.160 146 I CA 0.258 61.590 61.300 0.053 0.000 1.445 146 I CB -0.568 37.508 38.000 0.125 0.000 1.086 146 I HN 0.178 nan 8.210 nan 0.000 0.433 147 M N 2.195 121.810 119.600 0.024 0.000 2.247 147 M HA 0.011 4.492 4.480 0.001 0.000 0.318 147 M C 1.224 177.535 176.300 0.018 0.000 1.054 147 M CA 1.338 56.649 55.300 0.017 0.000 1.117 147 M CB 0.412 33.020 32.600 0.012 0.000 1.515 147 M HN 0.477 nan 8.290 nan 0.000 0.442 148 T N -3.760 110.803 114.554 0.016 0.000 3.359 148 T HA 0.069 4.420 4.350 0.001 0.000 0.160 148 T C 1.288 175.993 174.700 0.008 0.000 0.924 148 T CA 0.318 62.427 62.100 0.015 0.000 0.951 148 T CB -0.342 68.537 68.868 0.018 0.000 1.404 148 T HN 0.704 nan 8.240 nan 0.000 0.309 149 T N 0.415 114.974 114.554 0.007 0.000 3.107 149 T HA 0.253 4.603 4.350 0.001 0.000 0.249 149 T C -0.201 174.505 174.700 0.010 0.000 1.096 149 T CA -0.199 61.903 62.100 0.003 0.000 1.012 149 T CB -0.890 67.977 68.868 -0.003 0.000 0.977 149 T HN 0.362 nan 8.240 nan 0.000 0.527 150 D N 2.582 122.989 120.400 0.013 0.000 2.423 150 D HA 0.224 4.865 4.640 0.001 0.000 0.238 150 D C 1.444 177.752 176.300 0.013 0.000 1.142 150 D CA 0.678 54.687 54.000 0.015 0.000 0.884 150 D CB 1.111 41.919 40.800 0.013 0.000 1.199 150 D HN 0.371 nan 8.370 nan 0.000 0.438 151 T N -2.368 112.195 114.554 0.015 0.000 3.040 151 T HA 0.400 4.751 4.350 0.001 0.000 0.250 151 T C 0.720 175.427 174.700 0.012 0.000 1.058 151 T CA 0.133 62.241 62.100 0.013 0.000 0.988 151 T CB 0.001 68.878 68.868 0.016 0.000 0.993 151 T HN 0.558 nan 8.240 nan 0.000 0.519 152 R N 1.162 121.670 120.500 0.012 0.000 2.664 152 R HA 0.745 5.086 4.340 0.001 0.000 0.266 152 R C -3.531 172.776 176.300 0.011 0.000 1.046 152 R CA -1.623 54.484 56.100 0.011 0.000 0.885 152 R CB -0.582 29.725 30.300 0.011 0.000 1.254 152 R HN 0.199 nan 8.270 nan 0.000 0.465 153 P HA 0.304 nan 4.420 nan 0.000 0.273 153 P C -1.160 176.146 177.300 0.010 0.000 1.250 153 P CA -0.118 62.990 63.100 0.013 0.000 0.793 153 P CB 0.634 32.345 31.700 0.018 0.000 1.011 154 K N 0.868 121.272 120.400 0.006 0.000 2.723 154 K HA 0.261 4.582 4.320 0.001 0.000 0.229 154 K C -0.393 176.202 176.600 -0.007 0.000 1.022 154 K CA -0.386 55.901 56.287 0.000 0.000 1.045 154 K CB 1.242 33.741 32.500 -0.001 0.000 1.227 154 K HN 0.476 nan 8.250 nan 0.000 0.516 155 E N 0.584 120.785 120.200 0.001 0.000 2.256 155 E HA 0.602 4.953 4.350 0.001 0.000 0.267 155 E C -1.231 175.363 176.600 -0.010 0.000 0.892 155 E CA -1.184 55.212 56.400 -0.005 0.000 0.775 155 E CB 2.653 32.367 29.700 0.023 0.000 1.207 155 E HN 0.067 nan 8.360 nan 0.000 0.420 156 V N 0.961 120.865 119.914 -0.018 0.000 2.638 156 V HA 0.834 4.954 4.120 0.001 0.000 0.306 156 V C -1.066 175.015 176.094 -0.022 0.000 1.052 156 V CA -0.173 62.124 62.300 -0.006 0.000 0.885 156 V CB 1.458 33.295 31.823 0.024 0.000 0.999 156 V HN 0.916 nan 8.190 nan 0.000 0.424 157 R N 4.527 125.010 120.500 -0.029 0.000 2.494 157 R HA 0.890 5.230 4.340 0.001 0.000 0.305 157 R C -1.492 174.793 176.300 -0.024 0.000 0.959 157 R CA -0.237 55.836 56.100 -0.045 0.000 0.864 157 R CB 1.669 31.940 30.300 -0.049 0.000 1.159 157 R HN 0.972 nan 8.270 nan 0.000 0.446 158 V N 1.053 120.954 119.914 -0.023 0.000 2.686 158 V HA 0.813 4.934 4.120 0.001 0.000 0.306 158 V C 0.378 176.468 176.094 -0.006 0.000 1.065 158 V CA -0.580 61.707 62.300 -0.021 0.000 0.894 158 V CB 1.789 33.585 31.823 -0.045 0.000 1.004 158 V HN 1.241 nan 8.190 nan 0.000 0.424 159 S N 2.574 118.276 115.700 0.003 0.000 2.480 159 S HA 0.849 5.320 4.470 0.001 0.000 0.286 159 S C -0.614 174.004 174.600 0.029 0.000 1.180 159 S CA -0.588 57.627 58.200 0.024 0.000 1.075 159 S CB 1.289 64.502 63.200 0.022 0.000 0.996 159 S HN 0.636 nan 8.310 nan 0.000 0.487 160 V N 1.719 121.669 119.914 0.060 0.000 2.737 160 V HA 0.620 4.741 4.120 0.001 0.000 0.298 160 V C 0.688 176.842 176.094 0.100 0.000 1.163 160 V CA 0.337 62.681 62.300 0.074 0.000 0.925 160 V CB 1.144 33.018 31.823 0.084 0.000 1.037 160 V HN 1.947 nan 8.190 nan 0.000 0.433 161 G N 3.699 112.544 108.800 0.075 0.000 2.323 161 G HA2 0.067 4.027 3.960 0.001 0.000 0.292 161 G HA3 0.067 4.027 3.960 0.001 0.000 0.292 161 G C 1.423 176.363 174.900 0.066 0.000 1.040 161 G CA 1.387 46.529 45.100 0.070 0.000 0.942 161 G HN 2.445 nan 8.290 nan 0.000 0.506 162 G N -0.776 108.059 108.800 0.058 0.000 2.609 162 G HA2 0.055 4.015 3.960 0.001 0.000 0.235 162 G HA3 0.055 4.015 3.960 0.001 0.000 0.235 162 G C 1.261 176.203 174.900 0.070 0.000 1.177 162 G CA 1.564 46.697 45.100 0.054 0.000 0.707 162 G HN 2.379 nan 8.290 nan 0.000 0.513 163 A N 0.673 123.546 122.820 0.089 0.000 2.483 163 A HA 0.597 4.918 4.320 0.001 0.000 0.238 163 A C 0.737 178.400 177.584 0.131 0.000 1.070 163 A CA 1.585 53.693 52.037 0.118 0.000 0.770 163 A CB 0.238 19.323 19.000 0.141 0.000 1.008 163 A HN 0.946 nan 8.150 nan 0.000 0.497 164 T N 1.060 115.697 114.554 0.139 0.000 2.952 164 T HA 0.611 4.961 4.350 0.001 0.000 0.286 164 T C -0.723 174.066 174.700 0.148 0.000 1.024 164 T CA -0.244 61.925 62.100 0.115 0.000 1.029 164 T CB 1.214 70.135 68.868 0.089 0.000 1.094 164 T HN 1.007 nan 8.240 nan 0.000 0.515 165 L N 1.791 123.063 121.223 0.081 0.000 2.639 165 L HA 0.637 4.978 4.340 0.001 0.000 0.264 165 L C -1.474 175.379 176.870 -0.029 0.000 0.948 165 L CA -0.492 54.397 54.840 0.081 0.000 0.912 165 L CB 1.206 43.340 42.059 0.126 0.000 1.294 165 L HN 0.487 nan 8.230 nan 0.000 0.412 166 V N 2.888 122.700 119.914 -0.171 0.000 2.975 166 V HA 1.032 5.152 4.120 0.001 0.000 0.318 166 V C 0.541 176.552 176.094 -0.139 0.000 1.077 166 V CA -0.018 62.097 62.300 -0.309 0.000 1.000 166 V CB 1.721 33.004 31.823 -0.901 0.000 1.066 166 V HN 0.981 nan 8.190 nan 0.000 0.452 167 G N 1.671 110.395 108.800 -0.127 0.000 2.742 167 G HA2 0.748 4.708 3.960 0.001 0.000 0.296 167 G HA3 0.748 4.708 3.960 0.001 0.000 0.296 167 G C -1.492 173.262 174.900 -0.244 0.000 1.436 167 G CA -0.489 44.460 45.100 -0.251 0.000 0.928 167 G HN 1.001 nan 8.290 nan 0.000 0.520 168 I N -1.350 119.018 120.570 -0.337 0.000 2.994 168 I HA 0.979 5.149 4.170 0.001 0.000 0.306 168 I C -0.420 175.524 176.117 -0.288 0.000 1.195 168 I CA -1.427 59.772 61.300 -0.168 0.000 1.001 168 I CB 2.331 40.343 38.000 0.021 0.000 1.244 168 I HN 1.022 nan 8.210 nan 0.000 0.437 169 A N 3.227 125.941 122.820 -0.176 0.000 2.609 169 A HA 0.904 5.225 4.320 0.001 0.000 0.291 169 A C -1.454 176.061 177.584 -0.115 0.000 1.096 169 A CA -0.549 51.356 52.037 -0.219 0.000 0.684 169 A CB 2.188 21.119 19.000 -0.116 0.000 1.282 169 A HN 0.927 nan 8.150 nan 0.000 0.412 170 K N 0.206 120.530 120.400 -0.126 0.000 2.548 170 K HA 0.707 5.028 4.320 0.001 0.000 0.282 170 K C -0.515 176.059 176.600 -0.042 0.000 1.006 170 K CA 0.342 56.596 56.287 -0.056 0.000 0.892 170 K CB 1.317 33.798 32.500 -0.032 0.000 1.499 170 K HN 2.742 nan 8.250 nan 0.000 0.433 171 G N 0.204 109.000 108.800 -0.008 0.000 3.434 171 G HA2 0.006 3.967 3.960 0.001 0.000 0.686 171 G HA3 0.006 3.967 3.960 0.001 0.000 0.686 171 G C -0.231 174.686 174.900 0.029 0.000 1.099 171 G CA -0.229 44.876 45.100 0.008 0.000 0.931 171 G HN 1.382 nan 8.290 nan 0.000 0.520 172 V N 0.196 120.135 119.914 0.042 0.000 3.166 172 V HA 0.806 4.926 4.120 0.001 0.000 0.332 172 V C 0.868 177.018 176.094 0.094 0.000 1.434 172 V CA 0.758 63.095 62.300 0.063 0.000 1.121 172 V CB 0.542 32.400 31.823 0.058 0.000 1.062 172 V HN 2.199 nan 8.190 nan 0.000 0.489 173 G N -0.696 108.155 108.800 0.086 0.000 2.733 173 G HA2 0.520 4.481 3.960 0.001 0.000 0.297 173 G HA3 0.520 4.481 3.960 0.001 0.000 0.297 173 G C -0.319 174.635 174.900 0.091 0.000 1.422 173 G CA -0.434 44.739 45.100 0.122 0.000 0.942 173 G HN 0.699 nan 8.290 nan 0.000 0.510 174 M N 0.348 120.016 119.600 0.113 0.000 2.297 174 M HA -0.158 4.323 4.480 0.001 0.000 0.200 174 M C -1.481 174.856 176.300 0.062 0.000 0.414 174 M CA 0.470 55.815 55.300 0.075 0.000 0.449 174 M CB -0.896 31.732 32.600 0.046 0.000 1.436 174 M HN 0.597 nan 8.290 nan 0.000 0.912 175 L N 1.377 122.641 121.223 0.069 0.000 2.404 175 L HA 0.639 4.979 4.340 0.001 0.000 0.272 175 L C -0.455 176.451 176.870 0.061 0.000 0.980 175 L CA -0.069 54.807 54.840 0.060 0.000 0.836 175 L CB 1.696 43.791 42.059 0.061 0.000 1.238 175 L HN 0.404 nan 8.230 nan 0.000 0.408 176 E N 6.362 126.598 120.200 0.059 0.000 2.781 176 E HA 0.206 4.557 4.350 0.001 0.000 0.352 176 E C -2.780 173.858 176.600 0.063 0.000 1.075 176 E CA -0.992 55.445 56.400 0.062 0.000 0.863 176 E CB 0.751 30.479 29.700 0.046 0.000 1.410 176 E HN 0.339 nan 8.360 nan 0.000 0.393 177 P HA 0.039 nan 4.420 nan 0.000 0.266 177 P C -0.231 177.109 177.300 0.066 0.000 1.193 177 P CA 0.511 63.651 63.100 0.066 0.000 0.770 177 P CB 0.748 32.491 31.700 0.071 0.000 0.836 178 D N 1.535 121.968 120.400 0.056 0.000 3.078 178 D HA 0.215 4.856 4.640 0.001 0.000 0.363 178 D C 0.085 176.415 176.300 0.049 0.000 1.391 178 D CA -0.198 53.831 54.000 0.048 0.000 0.754 178 D CB -0.466 40.358 40.800 0.040 0.000 1.238 178 D HN 0.137 nan 8.370 nan 0.000 0.500 179 M N 0.457 120.083 119.600 0.044 0.000 2.103 179 M HA 0.539 5.019 4.480 0.001 0.000 0.291 179 M C 0.970 177.292 176.300 0.036 0.000 1.216 179 M CA 0.335 55.658 55.300 0.038 0.000 1.132 179 M CB 1.136 33.734 32.600 -0.003 0.000 1.396 179 M HN 0.185 nan 8.290 nan 0.000 0.479 180 A N -0.772 122.074 122.820 0.044 0.000 2.408 180 A HA 0.146 4.467 4.320 0.001 0.000 0.195 180 A C 0.031 177.667 177.584 0.086 0.000 2.215 180 A CA -0.465 51.605 52.037 0.055 0.000 1.224 180 A CB -0.178 18.860 19.000 0.062 0.000 0.924 180 A HN 0.672 nan 8.150 nan 0.000 0.450 181 T N 2.435 117.008 114.554 0.031 0.000 2.743 181 T HA 0.494 4.844 4.350 0.001 0.000 0.293 181 T C -0.305 174.395 174.700 0.000 0.000 0.945 181 T CA -0.073 62.041 62.100 0.024 0.000 1.030 181 T CB 1.376 70.261 68.868 0.029 0.000 0.912 181 T HN 0.394 nan 8.240 nan 0.000 0.483 182 L N 5.901 127.112 121.223 -0.020 0.000 2.264 182 L HA 0.549 4.890 4.340 0.001 0.000 0.289 182 L C -1.212 175.561 176.870 -0.162 0.000 1.044 182 L CA -0.472 54.315 54.840 -0.088 0.000 0.807 182 L CB 0.294 42.297 42.059 -0.094 0.000 1.192 182 L HN 0.633 nan 8.230 nan 0.000 0.425 183 L N 4.752 125.836 121.223 -0.232 0.000 2.365 183 L HA 0.597 4.938 4.340 0.001 0.000 0.273 183 L C -0.337 176.107 176.870 -0.710 0.000 1.000 183 L CA -0.349 54.260 54.840 -0.385 0.000 0.819 183 L CB 2.223 44.185 42.059 -0.161 0.000 1.284 183 L HN 0.637 nan 8.230 nan 0.000 0.418 184 T N 2.466 116.304 114.554 -1.193 0.000 3.159 184 T HA 0.623 4.973 4.350 0.001 0.000 0.343 184 T C -1.764 172.148 174.700 -1.313 0.000 1.364 184 T CA -0.346 61.054 62.100 -1.167 0.000 1.102 184 T CB 0.776 69.100 68.868 -0.906 0.000 1.263 184 T HN 0.232 nan 8.240 nan 0.000 0.477 185 F N 3.608 123.412 119.950 -0.245 0.000 2.557 185 F HA 0.689 5.217 4.527 0.001 0.000 0.316 185 F C -0.795 174.901 175.800 -0.174 0.000 1.141 185 F CA -1.165 56.798 58.000 -0.062 0.000 0.922 185 F CB 1.252 40.294 39.000 0.071 0.000 1.194 185 F HN 0.399 nan 8.300 nan 0.000 0.443 186 F N 2.210 122.341 119.950 0.301 0.000 2.427 186 F HA 0.755 5.282 4.527 0.001 0.000 0.346 186 F C 0.271 176.194 175.800 0.205 0.000 1.120 186 F CA -0.795 57.339 58.000 0.224 0.000 1.033 186 F CB 1.647 40.785 39.000 0.230 0.000 1.126 186 F HN 0.600 nan 8.300 nan 0.000 0.462 187 A N 2.352 125.287 122.820 0.192 0.000 2.350 187 A HA 0.823 5.143 4.320 0.001 0.000 0.324 187 A C -0.509 177.036 177.584 -0.065 0.000 1.118 187 A CA -0.547 51.377 52.037 -0.189 0.000 0.783 187 A CB 1.737 20.293 19.000 -0.741 0.000 1.236 187 A HN 0.656 nan 8.150 nan 0.000 0.457 188 T N -0.192 114.466 114.554 0.173 0.000 2.853 188 T HA 0.478 4.829 4.350 0.001 0.000 0.311 188 T C -0.806 174.255 174.700 0.602 0.000 1.307 188 T CA 0.024 62.361 62.100 0.395 0.000 1.019 188 T CB 1.308 70.439 68.868 0.439 0.000 1.264 188 T HN 0.674 nan 8.240 nan 0.000 0.497 189 D N 1.139 121.794 120.400 0.425 0.000 2.369 189 D HA 0.387 5.027 4.640 0.001 0.000 0.211 189 D C 0.932 177.326 176.300 0.156 0.000 1.077 189 D CA -0.187 53.979 54.000 0.277 0.000 0.842 189 D CB -0.074 40.842 40.800 0.194 0.000 0.947 189 D HN 0.651 nan 8.370 nan 0.000 0.509 190 A N 1.018 123.929 122.820 0.152 0.000 2.561 190 A HA 0.211 4.532 4.320 0.001 0.000 0.234 190 A C 0.498 178.060 177.584 -0.036 0.000 1.055 190 A CA -0.232 51.825 52.037 0.034 0.000 0.756 190 A CB 0.064 19.029 19.000 -0.058 0.000 0.986 190 A HN 0.203 nan 8.150 nan 0.000 0.505 191 R N 2.695 123.169 120.500 -0.043 0.000 2.296 191 R HA 0.519 4.860 4.340 0.001 0.000 0.327 191 R C -1.043 175.200 176.300 -0.094 0.000 1.137 191 R CA 0.109 56.181 56.100 -0.046 0.000 1.020 191 R CB -0.416 29.872 30.300 -0.020 0.000 1.110 191 R HN 0.654 nan 8.270 nan 0.000 0.499 192 L N 2.109 123.254 121.223 -0.130 0.000 2.358 192 L HA 0.413 4.753 4.340 0.001 0.000 0.268 192 L C -0.130 176.693 176.870 -0.078 0.000 1.032 192 L CA -1.130 53.618 54.840 -0.153 0.000 0.805 192 L CB 1.577 43.483 42.059 -0.256 0.000 1.253 192 L HN 0.631 nan 8.230 nan 0.000 0.452 193 D N 1.061 121.425 120.400 -0.060 0.000 2.280 193 D HA 0.221 4.862 4.640 0.001 0.000 0.243 193 D C -1.922 174.364 176.300 -0.023 0.000 1.129 193 D CA -1.576 52.407 54.000 -0.029 0.000 0.848 193 D CB 1.670 42.460 40.800 -0.016 0.000 1.107 193 D HN 0.085 nan 8.370 nan 0.000 0.471 194 P HA -0.310 nan 4.420 nan 0.000 0.210 194 P C 1.171 178.472 177.300 0.002 0.000 1.151 194 P CA 2.540 65.635 63.100 -0.009 0.000 0.949 194 P CB -0.033 31.666 31.700 -0.001 0.000 0.786 195 A N -0.665 122.161 122.820 0.009 0.000 1.954 195 A HA -0.349 3.972 4.320 0.001 0.000 0.222 195 A C 2.123 179.722 177.584 0.026 0.000 1.199 195 A CA 2.428 54.476 52.037 0.018 0.000 0.657 195 A CB -1.414 17.597 19.000 0.017 0.000 0.823 195 A HN 0.287 nan 8.150 nan 0.000 0.463 196 E N -1.342 118.871 120.200 0.020 0.000 2.001 196 E HA -0.234 4.117 4.350 0.001 0.000 0.193 196 E C 2.262 178.891 176.600 0.049 0.000 0.994 196 E CA 0.966 57.385 56.400 0.031 0.000 0.815 196 E CB -0.349 29.363 29.700 0.019 0.000 0.770 196 E HN 0.747 nan 8.360 nan 0.000 0.453 197 Q N 0.763 120.578 119.800 0.026 0.000 2.105 197 Q HA -0.319 4.021 4.340 0.001 0.000 0.217 197 Q C 1.763 177.832 176.000 0.115 0.000 1.029 197 Q CA 2.440 58.269 55.803 0.042 0.000 0.899 197 Q CB -0.152 28.569 28.738 -0.029 0.000 1.000 197 Q HN 0.236 nan 8.270 nan 0.000 0.414 198 D N -0.666 119.782 120.400 0.080 0.000 2.092 198 D HA -0.197 4.444 4.640 0.001 0.000 0.193 198 D C 1.908 178.306 176.300 0.163 0.000 0.994 198 D CA 1.423 55.499 54.000 0.126 0.000 0.828 198 D CB -0.387 40.458 40.800 0.075 0.000 0.963 198 D HN 0.312 nan 8.370 nan 0.000 0.450 199 R N 0.456 121.020 120.500 0.107 0.000 2.105 199 R HA -0.164 4.176 4.340 0.001 0.000 0.239 199 R C 2.497 178.854 176.300 0.096 0.000 1.135 199 R CA 1.274 57.427 56.100 0.088 0.000 0.967 199 R CB -0.182 30.155 30.300 0.062 0.000 0.861 199 R HN 0.293 nan 8.270 nan 0.000 0.442 200 L N -2.570 118.727 121.223 0.124 0.000 2.249 200 L HA 0.151 4.492 4.340 0.001 0.000 0.207 200 L C 2.060 179.011 176.870 0.134 0.000 1.090 200 L CA 0.939 55.853 54.840 0.122 0.000 0.802 200 L CB -0.742 41.413 42.059 0.159 0.000 0.947 200 L HN -0.048 nan 8.230 nan 0.000 0.453 201 F N 1.445 121.420 119.950 0.041 0.000 2.069 201 F HA -0.145 4.382 4.527 0.001 0.000 0.298 201 F C 2.618 178.420 175.800 0.004 0.000 1.113 201 F CA 1.697 59.705 58.000 0.014 0.000 1.214 201 F CB -0.263 38.742 39.000 0.010 0.000 0.978 201 F HN -0.042 nan 8.300 nan 0.000 0.474 202 R N -0.064 120.440 120.500 0.007 0.000 2.080 202 R HA -0.144 4.196 4.340 0.001 0.000 0.236 202 R C 2.397 178.642 176.300 -0.092 0.000 1.137 202 R CA 1.916 57.969 56.100 -0.079 0.000 0.943 202 R CB -0.426 29.898 30.300 0.039 0.000 0.846 202 R HN 0.240 nan 8.270 nan 0.000 0.431 203 R N -0.067 120.417 120.500 -0.027 0.000 2.117 203 R HA -0.154 4.187 4.340 0.001 0.000 0.243 203 R C 2.163 178.441 176.300 -0.038 0.000 1.143 203 R CA 1.722 57.816 56.100 -0.011 0.000 0.968 203 R CB -0.384 29.924 30.300 0.014 0.000 0.863 203 R HN 0.139 nan 8.270 nan 0.000 0.444 204 V N 0.400 120.253 119.914 -0.101 0.000 2.488 204 V HA -0.185 3.936 4.120 0.001 0.000 0.246 204 V C 2.336 178.282 176.094 -0.246 0.000 1.046 204 V CA 1.204 63.413 62.300 -0.151 0.000 1.053 204 V CB -0.322 31.364 31.823 -0.229 0.000 0.679 204 V HN 0.237 nan 8.190 nan 0.000 0.458 205 M N 0.212 119.624 119.600 -0.312 0.000 2.117 205 M HA -0.149 4.332 4.480 0.001 0.000 0.262 205 M C 1.741 177.995 176.300 -0.077 0.000 1.065 205 M CA 1.633 56.790 55.300 -0.239 0.000 1.114 205 M CB -1.188 31.172 32.600 -0.400 0.000 1.361 205 M HN 0.331 nan 8.290 nan 0.000 0.408 206 D N -0.673 119.702 120.400 -0.042 0.000 2.363 206 D HA -0.024 4.616 4.640 0.001 0.000 0.220 206 D C 1.851 178.238 176.300 0.146 0.000 0.994 206 D CA 0.494 54.533 54.000 0.065 0.000 0.890 206 D CB 0.074 40.920 40.800 0.078 0.000 0.906 206 D HN 0.219 nan 8.370 nan 0.000 0.530 207 R N -0.418 120.093 120.500 0.017 0.000 2.365 207 R HA 0.132 4.472 4.340 0.001 0.000 0.223 207 R C 1.500 177.720 176.300 -0.134 0.000 0.899 207 R CA 0.518 56.582 56.100 -0.060 0.000 1.059 207 R CB 0.619 30.889 30.300 -0.051 0.000 1.086 207 R HN 0.310 nan 8.270 nan 0.000 0.522 208 T N -2.775 111.657 114.554 -0.204 0.000 3.478 208 T HA 0.125 4.475 4.350 0.001 0.000 0.223 208 T C 1.628 176.141 174.700 -0.312 0.000 0.958 208 T CA -0.031 61.831 62.100 -0.397 0.000 1.324 208 T CB -0.574 67.841 68.868 -0.755 0.000 1.262 208 T HN -0.100 nan 8.240 nan 0.000 0.379 209 F N 2.787 122.692 119.950 -0.074 0.000 2.186 209 F HA 0.259 4.787 4.527 0.001 0.000 0.299 209 F C 1.927 177.734 175.800 0.012 0.000 1.090 209 F CA 0.573 58.552 58.000 -0.035 0.000 1.307 209 F CB -0.775 38.194 39.000 -0.050 0.000 1.019 209 F HN 0.196 nan 8.300 nan 0.000 0.489 210 N N -0.063 118.741 118.700 0.172 0.000 2.413 210 N HA 0.167 4.908 4.740 0.001 0.000 0.207 210 N C 1.020 176.639 175.510 0.182 0.000 1.206 210 N CA 0.615 53.752 53.050 0.146 0.000 0.832 210 N CB 0.159 38.713 38.487 0.111 0.000 1.037 210 N HN 0.235 nan 8.380 nan 0.000 0.467 211 A N -0.996 121.945 122.820 0.202 0.000 2.551 211 A HA 0.209 4.530 4.320 0.001 0.000 0.252 211 A C 0.271 178.017 177.584 0.269 0.000 1.199 211 A CA -0.151 52.060 52.037 0.291 0.000 0.972 211 A CB 0.755 19.945 19.000 0.316 0.000 1.153 211 A HN 0.072 nan 8.150 nan 0.000 0.559 212 V N 0.218 120.257 119.914 0.208 0.000 2.547 212 V HA 0.774 4.895 4.120 0.001 0.000 0.299 212 V C -0.700 175.473 176.094 0.131 0.000 1.040 212 V CA -0.071 62.346 62.300 0.195 0.000 0.913 212 V CB 1.838 33.750 31.823 0.149 0.000 0.992 212 V HN 0.331 nan 8.190 nan 0.000 0.449 213 S N 5.267 121.030 115.700 0.105 0.000 2.689 213 S HA 0.513 4.984 4.470 0.001 0.000 0.274 213 S C 0.170 174.793 174.600 0.039 0.000 1.176 213 S CA -0.620 57.618 58.200 0.064 0.000 1.014 213 S CB 1.331 64.557 63.200 0.044 0.000 1.071 213 S HN 0.629 nan 8.310 nan 0.000 0.478 214 I N 2.637 123.224 120.570 0.029 0.000 2.729 214 I HA 0.148 4.319 4.170 0.001 0.000 0.256 214 I C 0.829 176.896 176.117 -0.083 0.000 1.115 214 I CA 0.490 61.787 61.300 -0.005 0.000 1.446 214 I CB 0.118 38.140 38.000 0.036 0.000 1.176 214 I HN 0.677 nan 8.210 nan 0.000 0.446 215 D N -1.237 119.133 120.400 -0.049 0.000 2.556 215 D HA 0.018 4.658 4.640 0.001 0.000 0.237 215 D C 0.916 177.200 176.300 -0.027 0.000 1.296 215 D CA 0.824 54.769 54.000 -0.092 0.000 0.807 215 D CB -0.050 40.734 40.800 -0.027 0.000 1.084 215 D HN 0.295 nan 8.370 nan 0.000 0.510 216 T N -2.887 111.663 114.554 -0.007 0.000 8.285 216 T HA -0.270 4.080 4.350 0.001 0.000 0.317 216 T C -0.369 174.343 174.700 0.020 0.000 2.029 216 T CA 1.279 63.382 62.100 0.005 0.000 3.092 216 T CB -2.283 66.581 68.868 -0.007 0.000 2.254 216 T HN 0.275 nan 8.240 nan 0.000 1.172 217 D N 3.005 123.423 120.400 0.031 0.000 2.374 217 D HA 0.336 4.977 4.640 0.001 0.000 0.240 217 D C 0.165 176.489 176.300 0.040 0.000 1.229 217 D CA 0.223 54.245 54.000 0.037 0.000 0.895 217 D CB 1.294 42.123 40.800 0.049 0.000 1.046 217 D HN 0.524 nan 8.370 nan 0.000 0.498 218 T N 1.375 115.952 114.554 0.038 0.000 2.738 218 T HA 0.149 4.500 4.350 0.001 0.000 0.293 218 T C 1.044 175.771 174.700 0.046 0.000 0.913 218 T CA -0.621 61.506 62.100 0.044 0.000 1.103 218 T CB 0.318 69.214 68.868 0.047 0.000 0.880 218 T HN 0.320 nan 8.240 nan 0.000 0.526 219 S N 2.689 118.417 115.700 0.047 0.000 2.569 219 S HA 0.020 4.490 4.470 0.001 0.000 0.274 219 S C 1.516 176.153 174.600 0.063 0.000 1.353 219 S CA -0.122 58.106 58.200 0.047 0.000 1.023 219 S CB 0.353 63.579 63.200 0.044 0.000 0.876 219 S HN 0.805 nan 8.310 nan 0.000 0.540 220 T N -1.655 112.938 114.554 0.065 0.000 3.194 220 T HA 0.214 4.565 4.350 0.001 0.000 0.251 220 T C 0.709 175.464 174.700 0.091 0.000 1.132 220 T CA 0.214 62.370 62.100 0.094 0.000 1.028 220 T CB -0.450 68.480 68.868 0.103 0.000 0.976 220 T HN 0.521 nan 8.240 nan 0.000 0.535 221 S N 0.522 116.271 115.700 0.083 0.000 2.960 221 S HA 0.205 4.675 4.470 0.001 0.000 0.256 221 S C -0.522 174.142 174.600 0.106 0.000 1.017 221 S CA -0.658 57.598 58.200 0.094 0.000 1.144 221 S CB 0.246 63.493 63.200 0.080 0.000 1.109 221 S HN 0.415 nan 8.310 nan 0.000 0.638 222 D N 3.676 124.131 120.400 0.093 0.000 2.583 222 D HA 0.185 4.825 4.640 0.001 0.000 0.232 222 D C -0.092 176.281 176.300 0.121 0.000 1.128 222 D CA 1.316 55.358 54.000 0.070 0.000 0.859 222 D CB 0.469 41.306 40.800 0.061 0.000 1.169 222 D HN 0.141 nan 8.370 nan 0.000 0.481 223 T N 0.468 115.049 114.554 0.045 0.000 3.295 223 T HA 0.636 4.987 4.350 0.001 0.000 0.331 223 T C -0.986 173.646 174.700 -0.115 0.000 1.142 223 T CA -0.829 61.324 62.100 0.087 0.000 1.078 223 T CB 1.626 70.676 68.868 0.303 0.000 1.150 223 T HN 0.367 nan 8.240 nan 0.000 0.465 224 A N 2.661 125.392 122.820 -0.148 0.000 2.353 224 A HA 0.867 5.188 4.320 0.001 0.000 0.299 224 A C -0.846 176.808 177.584 0.117 0.000 1.089 224 A CA -0.683 51.306 52.037 -0.079 0.000 0.736 224 A CB 1.030 19.988 19.000 -0.068 0.000 1.195 224 A HN 0.727 nan 8.150 nan 0.000 0.447 225 V N 2.246 122.280 119.914 0.200 0.000 2.789 225 V HA 0.674 4.794 4.120 0.001 0.000 0.311 225 V C -1.100 175.026 176.094 0.053 0.000 1.073 225 V CA -0.642 61.675 62.300 0.029 0.000 0.921 225 V CB 1.826 33.690 31.823 0.068 0.000 1.009 225 V HN 0.901 nan 8.190 nan 0.000 0.426 226 L N 4.068 125.066 121.223 -0.376 0.000 2.372 226 L HA 0.708 5.049 4.340 0.001 0.000 0.273 226 L C -1.319 175.414 176.870 -0.228 0.000 0.989 226 L CA -0.045 54.721 54.840 -0.124 0.000 0.841 226 L CB 0.988 42.962 42.059 -0.142 0.000 1.225 226 L HN 0.456 nan 8.230 nan 0.000 0.414 227 F N 4.019 124.046 119.950 0.128 0.000 2.385 227 F HA 0.745 5.273 4.527 0.001 0.000 0.336 227 F C 0.690 176.642 175.800 0.252 0.000 1.100 227 F CA -0.126 57.984 58.000 0.184 0.000 1.116 227 F CB 1.917 41.085 39.000 0.280 0.000 1.166 227 F HN 0.641 nan 8.300 nan 0.000 0.511 228 A N 2.882 125.945 122.820 0.405 0.000 2.605 228 A HA 0.462 4.782 4.320 0.001 0.000 0.293 228 A C -1.271 176.467 177.584 0.256 0.000 1.216 228 A CA -0.933 51.286 52.037 0.304 0.000 0.742 228 A CB -0.008 19.038 19.000 0.078 0.000 1.170 228 A HN 0.740 nan 8.150 nan 0.000 0.443 229 N N 1.344 120.217 118.700 0.289 0.000 2.527 229 N HA 0.408 5.149 4.740 0.001 0.000 0.236 229 N C 0.641 176.177 175.510 0.044 0.000 0.999 229 N CA -0.017 53.082 53.050 0.081 0.000 0.935 229 N CB 1.457 39.883 38.487 -0.102 0.000 1.132 229 N HN 0.392 nan 8.380 nan 0.000 0.511 230 G N 2.083 110.901 108.800 0.031 0.000 3.157 230 G HA2 -0.050 3.911 3.960 0.001 0.000 0.232 230 G HA3 -0.050 3.911 3.960 0.001 0.000 0.232 230 G C 0.747 175.650 174.900 0.005 0.000 0.989 230 G CA -0.134 44.976 45.100 0.017 0.000 1.826 230 G HN 0.702 nan 8.290 nan 0.000 0.580 231 L N -0.167 121.055 121.223 -0.003 0.000 2.156 231 L HA -0.009 4.332 4.340 0.001 0.000 0.208 231 L C 2.847 179.722 176.870 0.009 0.000 1.095 231 L CA 1.063 55.895 54.840 -0.014 0.000 0.770 231 L CB -0.145 41.890 42.059 -0.040 0.000 0.914 231 L HN 0.402 nan 8.230 nan 0.000 0.439 232 A N -0.013 122.827 122.820 0.033 0.000 2.251 232 A HA 0.426 4.747 4.320 0.001 0.000 0.209 232 A C 1.205 178.809 177.584 0.033 0.000 1.187 232 A CA 0.639 52.701 52.037 0.042 0.000 0.823 232 A CB -0.472 18.570 19.000 0.070 0.000 0.846 232 A HN 0.470 nan 8.150 nan 0.000 0.486 233 G N -2.255 106.559 108.800 0.022 0.000 2.757 233 G HA2 0.396 4.357 3.960 0.001 0.000 0.638 233 G HA3 0.396 4.357 3.960 0.001 0.000 0.638 233 G C -0.200 174.708 174.900 0.012 0.000 1.344 233 G CA 0.025 45.133 45.100 0.015 0.000 0.855 233 G HN 1.336 nan 8.290 nan 0.000 0.537 234 E N -1.533 118.671 120.200 0.006 0.000 2.409 234 E HA 0.622 4.973 4.350 0.001 0.000 0.257 234 E C 0.408 177.016 176.600 0.013 0.000 1.150 234 E CA 0.402 56.801 56.400 -0.002 0.000 0.942 234 E CB 1.276 30.975 29.700 -0.002 0.000 0.979 234 E HN 2.017 nan 8.360 nan 0.000 0.447 235 V N 1.634 121.552 119.914 0.007 0.000 2.851 235 V HA 0.210 4.330 4.120 0.001 0.000 0.307 235 V C -0.401 175.720 176.094 0.045 0.000 1.129 235 V CA -1.083 61.243 62.300 0.044 0.000 0.932 235 V CB 2.177 34.052 31.823 0.086 0.000 1.024 235 V HN 0.966 nan 8.190 nan 0.000 0.426 236 D N 3.071 123.508 120.400 0.061 0.000 2.402 236 D HA 0.105 4.745 4.640 0.001 0.000 0.268 236 D C 1.266 177.619 176.300 0.089 0.000 1.294 236 D CA 0.759 54.794 54.000 0.057 0.000 0.945 236 D CB 1.705 42.535 40.800 0.051 0.000 1.112 236 D HN 0.735 nan 8.370 nan 0.000 0.517 237 A N 4.598 127.460 122.820 0.069 0.000 1.894 237 A HA -0.248 4.073 4.320 0.001 0.000 0.220 237 A C 2.198 179.864 177.584 0.136 0.000 1.237 237 A CA 2.293 54.391 52.037 0.100 0.000 0.660 237 A CB -1.306 17.727 19.000 0.056 0.000 0.835 237 A HN 0.693 nan 8.150 nan 0.000 0.461 238 G N -1.070 107.779 108.800 0.082 0.000 2.550 238 G HA2 -0.277 3.683 3.960 0.001 0.000 0.222 238 G HA3 -0.277 3.683 3.960 0.001 0.000 0.222 238 G C 1.408 176.343 174.900 0.059 0.000 1.113 238 G CA 1.288 46.424 45.100 0.059 0.000 0.748 238 G HN 0.737 nan 8.290 nan 0.000 0.585 239 E N -1.077 119.171 120.200 0.081 0.000 2.190 239 E HA 0.090 4.440 4.350 0.001 0.000 0.191 239 E C 1.943 178.591 176.600 0.081 0.000 0.978 239 E CA -0.132 56.306 56.400 0.063 0.000 0.839 239 E CB -0.070 29.666 29.700 0.061 0.000 0.787 239 E HN 0.469 nan 8.360 nan 0.000 0.473 240 F N 2.415 122.371 119.950 0.010 0.000 2.186 240 F HA -0.133 4.395 4.527 0.001 0.000 0.299 240 F C 2.225 178.029 175.800 0.007 0.000 1.090 240 F CA 1.460 59.470 58.000 0.016 0.000 1.307 240 F CB 0.156 39.173 39.000 0.028 0.000 1.019 240 F HN -0.082 nan 8.300 nan 0.000 0.489 241 E N 0.435 120.708 120.200 0.121 0.000 2.110 241 E HA -0.233 4.117 4.350 0.001 0.000 0.193 241 E C 2.119 178.683 176.600 -0.061 0.000 0.988 241 E CA 1.548 57.968 56.400 0.034 0.000 0.804 241 E CB -0.160 29.579 29.700 0.066 0.000 0.745 241 E HN 0.598 nan 8.360 nan 0.000 0.458 242 E N 0.110 120.271 120.200 -0.065 0.000 2.358 242 E HA 0.094 4.444 4.350 0.001 0.000 0.195 242 E C 1.678 178.221 176.600 -0.096 0.000 1.010 242 E CA 0.929 57.278 56.400 -0.084 0.000 0.856 242 E CB -0.356 29.298 29.700 -0.077 0.000 0.795 242 E HN 0.466 nan 8.360 nan 0.000 0.504 243 A N 0.107 122.824 122.820 -0.171 0.000 1.903 243 A HA 0.271 4.591 4.320 0.001 0.000 0.213 243 A C 2.326 179.727 177.584 -0.304 0.000 1.185 243 A CA 1.266 53.169 52.037 -0.223 0.000 0.628 243 A CB -0.292 18.542 19.000 -0.277 0.000 0.830 243 A HN 0.502 nan 8.150 nan 0.000 0.446 244 L N -0.490 120.442 121.223 -0.486 0.000 2.046 244 L HA -0.203 4.137 4.340 0.001 0.000 0.208 244 L C 2.377 179.050 176.870 -0.328 0.000 1.077 244 L CA 2.598 57.135 54.840 -0.504 0.000 0.747 244 L CB -0.803 40.944 42.059 -0.520 0.000 0.896 244 L HN 0.623 nan 8.230 nan 0.000 0.432 245 H N -0.873 118.019 119.070 -0.296 0.000 2.290 245 H HA -0.171 4.386 4.556 0.001 0.000 0.298 245 H C 1.912 177.111 175.328 -0.215 0.000 1.087 245 H CA 2.163 58.062 56.048 -0.247 0.000 1.291 245 H CB -0.106 29.542 29.762 -0.190 0.000 1.369 245 H HN 0.356 nan 8.280 nan 0.000 0.492 246 T N 0.864 115.419 114.554 0.001 0.000 2.737 246 T HA -0.167 4.184 4.350 0.001 0.000 0.269 246 T C 2.108 176.753 174.700 -0.093 0.000 1.040 246 T CA 1.507 63.589 62.100 -0.029 0.000 1.142 246 T CB -0.502 68.348 68.868 -0.029 0.000 0.861 246 T HN 0.529 nan 8.240 nan 0.000 0.456 247 A N 1.241 124.006 122.820 -0.092 0.000 1.854 247 A HA 0.295 4.615 4.320 0.001 0.000 0.214 247 A C 2.680 180.279 177.584 0.026 0.000 1.192 247 A CA 1.649 53.692 52.037 0.009 0.000 0.611 247 A CB -1.256 17.810 19.000 0.111 0.000 0.832 247 A HN 0.483 nan 8.150 nan 0.000 0.442 248 A N -0.462 122.291 122.820 -0.111 0.000 1.917 248 A HA -0.142 4.178 4.320 0.001 0.000 0.219 248 A C 2.143 179.413 177.584 -0.522 0.000 1.182 248 A CA 1.995 53.887 52.037 -0.241 0.000 0.633 248 A CB -0.694 17.987 19.000 -0.532 0.000 0.819 248 A HN 0.658 nan 8.150 nan 0.000 0.448 249 L N -0.350 120.565 121.223 -0.513 0.000 2.046 249 L HA -0.035 4.306 4.340 0.001 0.000 0.208 249 L C 2.728 179.385 176.870 -0.355 0.000 1.077 249 L CA 2.145 56.676 54.840 -0.514 0.000 0.747 249 L CB -1.175 40.620 42.059 -0.441 0.000 0.896 249 L HN 0.376 nan 8.230 nan 0.000 0.432 250 A N -0.346 122.347 122.820 -0.211 0.000 1.892 250 A HA -0.226 4.094 4.320 0.001 0.000 0.218 250 A C 2.280 179.794 177.584 -0.118 0.000 1.188 250 A CA 2.221 54.178 52.037 -0.133 0.000 0.631 250 A CB -0.992 17.969 19.000 -0.064 0.000 0.822 250 A HN 0.513 nan 8.150 nan 0.000 0.447 251 L N -0.561 120.618 121.223 -0.073 0.000 2.083 251 L HA -0.175 4.165 4.340 0.001 0.000 0.209 251 L C 2.509 179.352 176.870 -0.044 0.000 1.083 251 L CA 1.133 55.976 54.840 0.005 0.000 0.752 251 L CB -0.700 41.469 42.059 0.183 0.000 0.899 251 L HN 0.254 nan 8.230 nan 0.000 0.433 252 V N -0.245 119.533 119.914 -0.227 0.000 2.343 252 V HA -0.248 3.873 4.120 0.001 0.000 0.247 252 V C 2.564 178.502 176.094 -0.260 0.000 1.051 252 V CA 1.556 63.688 62.300 -0.279 0.000 1.036 252 V CB -0.555 30.940 31.823 -0.547 0.000 0.654 252 V HN 0.403 nan 8.190 nan 0.000 0.451 253 K N -0.099 120.114 120.400 -0.311 0.000 2.147 253 K HA -0.150 4.170 4.320 0.001 0.000 0.205 253 K C 1.760 178.301 176.600 -0.099 0.000 1.049 253 K CA 1.274 57.425 56.287 -0.228 0.000 0.936 253 K CB -0.487 31.893 32.500 -0.200 0.000 0.722 253 K HN 0.494 nan 8.250 nan 0.000 0.446 254 D N 0.743 121.097 120.400 -0.076 0.000 2.234 254 D HA -0.004 4.637 4.640 0.001 0.000 0.205 254 D C 2.033 178.330 176.300 -0.006 0.000 0.962 254 D CA 0.551 54.534 54.000 -0.028 0.000 0.855 254 D CB 0.069 40.859 40.800 -0.017 0.000 0.951 254 D HN 0.171 nan 8.370 nan 0.000 0.500 255 I N 1.191 121.759 120.570 -0.002 0.000 2.162 255 I HA -0.186 3.985 4.170 0.001 0.000 0.238 255 I C 2.554 178.690 176.117 0.033 0.000 1.076 255 I CA 0.818 62.134 61.300 0.027 0.000 1.353 255 I CB -0.271 37.763 38.000 0.056 0.000 1.063 255 I HN -0.104 nan 8.210 nan 0.000 0.408 256 A N -0.253 122.585 122.820 0.031 0.000 1.940 256 A HA -0.251 4.069 4.320 0.001 0.000 0.219 256 A C 2.458 180.070 177.584 0.046 0.000 1.176 256 A CA 2.339 54.408 52.037 0.054 0.000 0.631 256 A CB -0.839 18.215 19.000 0.089 0.000 0.814 256 A HN 0.391 nan 8.150 nan 0.000 0.446 257 S N -1.110 114.608 115.700 0.030 0.000 2.447 257 S HA -0.133 4.337 4.470 0.001 0.000 0.233 257 S C 1.269 175.887 174.600 0.030 0.000 1.006 257 S CA 1.417 59.634 58.200 0.028 0.000 0.957 257 S CB -0.267 62.941 63.200 0.014 0.000 0.773 257 S HN 0.606 nan 8.310 nan 0.000 0.507 258 D N 0.411 120.829 120.400 0.031 0.000 2.462 258 D HA 0.249 4.890 4.640 0.001 0.000 0.221 258 D C 0.561 176.889 176.300 0.048 0.000 1.173 258 D CA -0.070 53.950 54.000 0.034 0.000 0.831 258 D CB 0.012 40.828 40.800 0.026 0.000 1.001 258 D HN 0.318 nan 8.370 nan 0.000 0.499 259 G N 0.871 109.704 108.800 0.055 0.000 2.353 259 G HA2 0.007 3.967 3.960 0.001 0.000 0.239 259 G HA3 0.007 3.967 3.960 0.001 0.000 0.239 259 G C 0.073 175.033 174.900 0.100 0.000 1.295 259 G CA -0.334 44.810 45.100 0.074 0.000 0.884 259 G HN 0.260 nan 8.290 nan 0.000 0.537 260 E N 1.022 121.307 120.200 0.142 0.000 3.250 260 E HA -0.028 4.322 4.350 0.001 0.000 0.244 260 E C 1.547 178.261 176.600 0.191 0.000 0.931 260 E CA 1.036 57.540 56.400 0.173 0.000 0.954 260 E CB -0.114 29.740 29.700 0.256 0.000 0.894 260 E HN 1.032 nan 8.360 nan 0.000 0.560 261 G N 2.723 111.591 108.800 0.112 0.000 2.238 261 G HA2 -0.413 3.547 3.960 0.001 0.000 0.270 261 G HA3 -0.413 3.547 3.960 0.001 0.000 0.270 261 G C 0.503 175.457 174.900 0.090 0.000 0.977 261 G CA 0.338 45.497 45.100 0.097 0.000 0.639 261 G HN 0.866 nan 8.290 nan 0.000 0.544 262 A N 0.071 122.944 122.820 0.087 0.000 2.488 262 A HA 0.786 5.107 4.320 0.001 0.000 0.249 262 A C 1.457 179.087 177.584 0.077 0.000 1.083 262 A CA 1.035 53.118 52.037 0.076 0.000 0.768 262 A CB 0.546 19.579 19.000 0.056 0.000 1.017 262 A HN 1.679 nan 8.150 nan 0.000 0.496 263 A N 3.566 126.446 122.820 0.099 0.000 1.849 263 A HA 0.182 4.503 4.320 0.001 0.000 0.214 263 A C 1.251 178.859 177.584 0.041 0.000 1.269 263 A CA 1.326 53.404 52.037 0.067 0.000 0.605 263 A CB -0.477 18.562 19.000 0.066 0.000 0.937 263 A HN 0.875 nan 8.150 nan 0.000 0.461 264 K N -0.492 119.928 120.400 0.034 0.000 2.098 264 K HA 0.653 4.974 4.320 0.001 0.000 0.244 264 K C -0.658 175.959 176.600 0.028 0.000 1.014 264 K CA -0.604 55.690 56.287 0.012 0.000 0.917 264 K CB 1.081 33.569 32.500 -0.020 0.000 1.072 264 K HN 0.350 nan 8.250 nan 0.000 0.477 265 L N 1.286 122.523 121.223 0.024 0.000 2.334 265 L HA 0.543 4.884 4.340 0.001 0.000 0.273 265 L C -1.240 175.660 176.870 0.049 0.000 1.013 265 L CA -0.952 53.917 54.840 0.047 0.000 0.816 265 L CB 1.212 43.307 42.059 0.060 0.000 1.278 265 L HN 0.642 nan 8.230 nan 0.000 0.431 266 I N 3.513 124.123 120.570 0.066 0.000 2.474 266 I HA 0.438 4.609 4.170 0.001 0.000 0.294 266 I C -0.640 175.513 176.117 0.060 0.000 1.005 266 I CA -0.473 60.862 61.300 0.058 0.000 1.113 266 I CB 1.861 39.889 38.000 0.046 0.000 1.289 266 I HN 0.614 nan 8.210 nan 0.000 0.436 267 E N 5.743 125.960 120.200 0.027 0.000 2.241 267 E HA 0.460 4.811 4.350 0.001 0.000 0.263 267 E C -1.828 174.706 176.600 -0.109 0.000 0.882 267 E CA -0.558 55.789 56.400 -0.089 0.000 0.769 267 E CB 2.434 32.137 29.700 0.005 0.000 1.185 267 E HN 0.354 nan 8.360 nan 0.000 0.415 268 V N 5.168 124.967 119.914 -0.193 0.000 2.334 268 V HA 0.221 4.342 4.120 0.001 0.000 0.281 268 V C -0.435 175.584 176.094 -0.126 0.000 1.016 268 V CA -0.529 61.702 62.300 -0.115 0.000 0.832 268 V CB 1.374 33.153 31.823 -0.073 0.000 0.999 268 V HN 0.677 nan 8.190 nan 0.000 0.439 269 Q N 3.963 123.712 119.800 -0.086 0.000 2.465 269 Q HA 0.449 4.789 4.340 0.001 0.000 0.237 269 Q C -0.846 175.133 176.000 -0.035 0.000 1.051 269 Q CA -0.323 55.440 55.803 -0.067 0.000 0.874 269 Q CB 2.021 30.724 28.738 -0.058 0.000 1.207 269 Q HN 0.565 nan 8.270 nan 0.000 0.508 270 V N 3.366 123.278 119.914 -0.003 0.000 2.333 270 V HA 0.288 4.408 4.120 0.001 0.000 0.274 270 V C 0.376 176.484 176.094 0.024 0.000 1.028 270 V CA -0.288 62.017 62.300 0.009 0.000 0.851 270 V CB 1.082 32.917 31.823 0.020 0.000 1.000 270 V HN 0.787 nan 8.190 nan 0.000 0.456 271 T N 1.113 115.670 114.554 0.005 0.000 2.950 271 T HA 0.687 5.038 4.350 0.001 0.000 0.288 271 T C 1.020 175.723 174.700 0.004 0.000 1.035 271 T CA 0.109 62.212 62.100 0.006 0.000 1.028 271 T CB 1.751 70.614 68.868 -0.009 0.000 1.109 271 T HN 1.477 nan 8.240 nan 0.000 0.514 272 G N 0.034 108.837 108.800 0.005 0.000 2.184 272 G HA2 -0.006 3.955 3.960 0.001 0.000 0.264 272 G HA3 -0.006 3.955 3.960 0.001 0.000 0.264 272 G C 0.481 175.384 174.900 0.004 0.000 0.975 272 G CA 0.220 45.321 45.100 0.002 0.000 0.642 272 G HN 1.484 nan 8.290 nan 0.000 0.536 273 A N -0.232 122.594 122.820 0.010 0.000 2.409 273 A HA 0.651 4.972 4.320 0.001 0.000 0.246 273 A C 1.609 179.196 177.584 0.005 0.000 1.099 273 A CA 1.186 53.226 52.037 0.006 0.000 0.789 273 A CB 0.032 19.037 19.000 0.007 0.000 1.053 273 A HN 0.649 nan 8.150 nan 0.000 0.503 274 R N -0.324 120.176 120.500 -0.000 0.000 2.112 274 R HA -0.219 4.121 4.340 0.001 0.000 0.242 274 R C 0.087 176.388 176.300 0.002 0.000 1.137 274 R CA 2.566 58.666 56.100 -0.001 0.000 0.944 274 R CB -0.226 30.071 30.300 -0.005 0.000 0.857 274 R HN 0.994 nan 8.270 nan 0.000 0.435 275 D N -3.569 116.833 120.400 0.002 0.000 3.057 275 D HA 0.096 4.737 4.640 0.001 0.000 0.328 275 D C -0.149 176.161 176.300 0.016 0.000 1.317 275 D CA -0.595 53.410 54.000 0.009 0.000 0.973 275 D CB -0.033 40.769 40.800 0.003 0.000 1.424 275 D HN -0.212 nan 8.370 nan 0.000 0.569 276 D N -0.509 119.908 120.400 0.029 0.000 2.183 276 D HA 0.029 4.669 4.640 0.001 0.000 0.205 276 D C 1.995 178.255 176.300 -0.067 0.000 0.962 276 D CA 1.373 55.405 54.000 0.054 0.000 0.849 276 D CB -0.255 40.629 40.800 0.139 0.000 0.978 276 D HN 0.461 nan 8.370 nan 0.000 0.488 277 A N 1.236 124.010 122.820 -0.076 0.000 1.948 277 A HA -0.254 4.067 4.320 0.001 0.000 0.220 277 A C 2.131 179.636 177.584 -0.131 0.000 1.177 277 A CA 1.616 53.576 52.037 -0.128 0.000 0.636 277 A CB -0.660 18.295 19.000 -0.075 0.000 0.815 277 A HN 0.197 nan 8.150 nan 0.000 0.449 278 Q N -1.022 118.732 119.800 -0.078 0.000 2.187 278 Q HA 0.019 4.359 4.340 0.001 0.000 0.199 278 Q C 2.185 178.147 176.000 -0.064 0.000 0.957 278 Q CA 0.964 56.730 55.803 -0.062 0.000 0.857 278 Q CB -0.228 28.491 28.738 -0.032 0.000 0.929 278 Q HN 0.626 nan 8.270 nan 0.000 0.453 279 A N 1.399 124.188 122.820 -0.051 0.000 1.873 279 A HA -0.200 4.121 4.320 0.001 0.000 0.215 279 A C 2.025 179.571 177.584 -0.063 0.000 1.186 279 A CA 1.632 53.667 52.037 -0.002 0.000 0.616 279 A CB -0.465 18.596 19.000 0.102 0.000 0.823 279 A HN 0.302 nan 8.150 nan 0.000 0.442 280 K N -0.680 119.539 120.400 -0.302 0.000 2.097 280 K HA -0.126 4.194 4.320 0.001 0.000 0.205 280 K C 2.355 178.799 176.600 -0.261 0.000 1.050 280 K CA 1.236 57.187 56.287 -0.560 0.000 0.938 280 K CB -0.173 31.596 32.500 -1.218 0.000 0.718 280 K HN 0.410 nan 8.250 nan 0.000 0.442 281 R N 0.213 120.595 120.500 -0.196 0.000 2.083 281 R HA -0.123 4.218 4.340 0.001 0.000 0.237 281 R C 2.141 178.396 176.300 -0.075 0.000 1.137 281 R CA 1.686 57.715 56.100 -0.118 0.000 0.951 281 R CB -0.217 30.027 30.300 -0.093 0.000 0.851 281 R HN 0.065 nan 8.270 nan 0.000 0.434 282 V N -0.051 119.827 119.914 -0.059 0.000 2.358 282 V HA -0.157 3.964 4.120 0.001 0.000 0.246 282 V C 2.382 178.457 176.094 -0.031 0.000 1.047 282 V CA 2.008 64.286 62.300 -0.037 0.000 1.035 282 V CB -0.929 30.878 31.823 -0.026 0.000 0.658 282 V HN 0.637 nan 8.190 nan 0.000 0.452 283 G N -0.020 108.764 108.800 -0.027 0.000 2.469 283 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 283 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 283 G C 1.684 176.573 174.900 -0.018 0.000 1.150 283 G CA 0.795 45.889 45.100 -0.010 0.000 0.763 283 G HN 0.381 nan 8.290 nan 0.000 0.561 284 K N 0.078 120.459 120.400 -0.031 0.000 2.025 284 K HA -0.032 4.289 4.320 0.001 0.000 0.207 284 K C 2.740 179.327 176.600 -0.023 0.000 1.049 284 K CA 1.382 57.654 56.287 -0.024 0.000 0.933 284 K CB -1.035 31.443 32.500 -0.037 0.000 0.714 284 K HN 0.239 nan 8.250 nan 0.000 0.438 285 T N 1.749 116.286 114.554 -0.028 0.000 2.759 285 T HA -0.100 4.251 4.350 0.001 0.000 0.269 285 T C 2.088 176.776 174.700 -0.020 0.000 1.042 285 T CA 1.183 63.268 62.100 -0.024 0.000 1.140 285 T CB -0.154 68.699 68.868 -0.025 0.000 0.864 285 T HN -0.082 nan 8.240 nan 0.000 0.455 286 V N 0.477 120.380 119.914 -0.018 0.000 2.283 286 V HA -0.065 4.056 4.120 0.001 0.000 0.243 286 V C 2.518 178.608 176.094 -0.006 0.000 1.039 286 V CA 1.133 63.426 62.300 -0.012 0.000 1.016 286 V CB -0.540 31.273 31.823 -0.016 0.000 0.650 286 V HN 0.280 nan 8.190 nan 0.000 0.449 287 V N 0.762 120.671 119.914 -0.009 0.000 2.759 287 V HA -0.136 3.984 4.120 0.001 0.000 0.256 287 V C 1.894 177.982 176.094 -0.011 0.000 1.080 287 V CA 1.799 64.097 62.300 -0.004 0.000 1.101 287 V CB -0.523 31.297 31.823 -0.005 0.000 0.698 287 V HN 0.607 nan 8.190 nan 0.000 0.477 288 N N -0.476 118.214 118.700 -0.016 0.000 2.299 288 N HA 0.063 4.804 4.740 0.001 0.000 0.187 288 N C 0.859 176.350 175.510 -0.031 0.000 1.099 288 N CA 0.373 53.407 53.050 -0.026 0.000 0.867 288 N CB 0.320 38.794 38.487 -0.023 0.000 0.974 288 N HN 0.353 nan 8.380 nan 0.000 0.477 289 S N 2.394 118.080 115.700 -0.023 0.000 2.466 289 S HA 0.119 4.589 4.470 0.001 0.000 0.286 289 S C -1.444 173.139 174.600 -0.028 0.000 1.221 289 S CA -1.230 56.956 58.200 -0.023 0.000 1.091 289 S CB 0.937 64.127 63.200 -0.017 0.000 0.956 289 S HN -0.021 nan 8.310 nan 0.000 0.501 290 P HA -0.141 nan 4.420 nan 0.000 0.216 290 P C 1.456 178.737 177.300 -0.031 0.000 1.153 290 P CA 1.121 64.195 63.100 -0.044 0.000 0.858 290 P CB 0.073 31.747 31.700 -0.043 0.000 0.789 291 L N -1.385 119.823 121.223 -0.025 0.000 2.046 291 L HA -0.165 4.175 4.340 0.001 0.000 0.208 291 L C 2.346 179.211 176.870 -0.009 0.000 1.077 291 L CA 1.414 56.242 54.840 -0.020 0.000 0.747 291 L CB -0.880 41.163 42.059 -0.026 0.000 0.896 291 L HN -0.101 nan 8.230 nan 0.000 0.432 292 V N -0.193 119.720 119.914 -0.003 0.000 2.244 292 V HA -0.287 3.834 4.120 0.001 0.000 0.244 292 V C 2.347 178.456 176.094 0.025 0.000 1.042 292 V CA 1.751 64.064 62.300 0.021 0.000 1.006 292 V CB -0.522 31.317 31.823 0.026 0.000 0.641 292 V HN 0.401 nan 8.190 nan 0.000 0.446 293 K N 0.457 120.861 120.400 0.007 0.000 2.228 293 K HA -0.221 4.100 4.320 0.001 0.000 0.205 293 K C 2.029 178.639 176.600 0.017 0.000 1.045 293 K CA 2.006 58.294 56.287 0.001 0.000 0.931 293 K CB -0.442 32.035 32.500 -0.037 0.000 0.727 293 K HN 0.772 nan 8.250 nan 0.000 0.458 294 T N -2.080 112.482 114.554 0.013 0.000 3.009 294 T HA 0.146 4.497 4.350 0.001 0.000 0.258 294 T C 2.064 176.808 174.700 0.073 0.000 1.063 294 T CA 0.534 62.656 62.100 0.036 0.000 1.139 294 T CB 0.064 68.934 68.868 0.003 0.000 0.890 294 T HN 0.146 nan 8.240 nan 0.000 0.471 295 A N 1.382 124.224 122.820 0.036 0.000 1.968 295 A HA 0.196 4.517 4.320 0.001 0.000 0.217 295 A C 2.486 180.073 177.584 0.004 0.000 1.169 295 A CA 1.005 53.049 52.037 0.013 0.000 0.638 295 A CB -0.897 18.101 19.000 -0.004 0.000 0.812 295 A HN 0.375 nan 8.150 nan 0.000 0.446 296 V N -0.251 119.681 119.914 0.030 0.000 2.490 296 V HA -0.271 3.850 4.120 0.001 0.000 0.250 296 V C 2.414 178.512 176.094 0.008 0.000 1.061 296 V CA 2.394 64.702 62.300 0.013 0.000 1.064 296 V CB -1.103 30.746 31.823 0.043 0.000 0.670 296 V HN 0.849 nan 8.190 nan 0.000 0.461 297 H N 1.513 120.565 119.070 -0.029 0.000 2.293 297 H HA -0.050 4.507 4.556 0.001 0.000 0.300 297 H C 1.991 177.299 175.328 -0.032 0.000 1.082 297 H CA 1.823 57.855 56.048 -0.027 0.000 1.308 297 H CB -0.559 29.191 29.762 -0.020 0.000 1.375 297 H HN 0.380 nan 8.280 nan 0.000 0.495 298 G N -1.183 107.556 108.800 -0.101 0.000 3.374 298 G HA2 0.054 4.015 3.960 0.001 0.000 0.252 298 G HA3 0.054 4.015 3.960 0.001 0.000 0.252 298 G C 0.301 175.122 174.900 -0.132 0.000 1.326 298 G CA 0.286 45.298 45.100 -0.147 0.000 1.133 298 G HN 0.703 nan 8.290 nan 0.000 0.528 299 C N -0.160 119.051 119.300 -0.147 0.000 4.056 299 C HA -0.172 4.288 4.460 0.001 0.000 0.298 299 C C 0.507 175.413 174.990 -0.140 0.000 1.456 299 C CA 0.382 59.318 59.018 -0.138 0.000 2.037 299 C CB -2.446 25.218 27.740 -0.128 0.000 1.295 299 C HN 0.707 nan 8.230 nan 0.000 0.733 300 D N 0.847 121.165 120.400 -0.138 0.000 2.349 300 D HA 0.381 5.021 4.640 0.001 0.000 0.232 300 D C -1.436 174.716 176.300 -0.247 0.000 1.071 300 D CA -1.694 52.214 54.000 -0.153 0.000 0.832 300 D CB 1.223 41.963 40.800 -0.099 0.000 1.086 300 D HN 0.205 nan 8.370 nan 0.000 0.504 301 P HA 0.039 nan 4.420 nan 0.000 0.225 301 P C -0.490 176.631 177.300 -0.298 0.000 1.768 301 P CA -0.333 62.191 63.100 -0.961 0.000 0.943 301 P CB -0.205 30.914 31.700 -0.969 0.000 1.936 302 N N 2.217 120.886 118.700 -0.052 0.000 2.434 302 N HA -0.038 4.703 4.740 0.001 0.000 0.273 302 N C 1.341 176.979 175.510 0.214 0.000 1.210 302 N CA -0.262 52.795 53.050 0.012 0.000 0.992 302 N CB 0.166 38.614 38.487 -0.064 0.000 1.355 302 N HN 0.434 nan 8.380 nan 0.000 0.495 303 W N 3.196 124.687 121.300 0.318 0.000 2.519 303 W HA 0.074 4.734 4.660 0.001 0.000 0.266 303 W C 1.168 177.690 176.519 0.004 0.000 1.253 303 W CA 0.433 57.888 57.345 0.184 0.000 1.274 303 W CB -0.948 28.604 29.460 0.153 0.000 1.114 303 W HN 0.328 nan 8.180 nan 0.000 0.596 304 G N 1.951 110.288 108.800 -0.772 0.000 2.446 304 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 304 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 304 G C 1.849 176.588 174.900 -0.267 0.000 1.168 304 G CA 1.269 45.919 45.100 -0.751 0.000 0.771 304 G HN 0.239 nan 8.290 nan 0.000 0.551 305 R N -0.379 120.018 120.500 -0.171 0.000 2.090 305 R HA 0.040 4.380 4.340 0.001 0.000 0.228 305 R C 2.670 178.955 176.300 -0.025 0.000 1.110 305 R CA 0.916 56.970 56.100 -0.077 0.000 0.973 305 R CB -0.421 29.850 30.300 -0.048 0.000 0.869 305 R HN 0.292 nan 8.270 nan 0.000 0.440 306 V N 1.147 121.077 119.914 0.027 0.000 2.490 306 V HA -0.244 3.877 4.120 0.001 0.000 0.250 306 V C 2.359 178.449 176.094 -0.005 0.000 1.061 306 V CA 1.910 64.228 62.300 0.030 0.000 1.064 306 V CB -0.689 31.160 31.823 0.043 0.000 0.670 306 V HN 0.386 nan 8.190 nan 0.000 0.461 307 A N 0.388 123.205 122.820 -0.005 0.000 1.832 307 A HA -0.225 4.096 4.320 0.001 0.000 0.214 307 A C 2.284 179.843 177.584 -0.042 0.000 1.200 307 A CA 2.085 54.096 52.037 -0.044 0.000 0.610 307 A CB -0.714 18.265 19.000 -0.036 0.000 0.842 307 A HN 0.400 nan 8.150 nan 0.000 0.444 308 M N 0.463 120.035 119.600 -0.047 0.000 2.116 308 M HA -0.254 4.227 4.480 0.001 0.000 0.255 308 M C 2.114 178.396 176.300 -0.030 0.000 1.075 308 M CA 2.619 57.895 55.300 -0.040 0.000 1.087 308 M CB -1.124 31.445 32.600 -0.052 0.000 1.340 308 M HN 0.422 nan 8.290 nan 0.000 0.402 309 A N 0.762 123.566 122.820 -0.028 0.000 1.858 309 A HA -0.162 4.158 4.320 0.001 0.000 0.216 309 A C 2.230 179.801 177.584 -0.022 0.000 1.190 309 A CA 1.856 53.879 52.037 -0.022 0.000 0.617 309 A CB -1.030 17.960 19.000 -0.017 0.000 0.827 309 A HN 0.617 nan 8.150 nan 0.000 0.443 310 I N -0.267 120.289 120.570 -0.024 0.000 2.151 310 I HA -0.284 3.886 4.170 0.001 0.000 0.243 310 I C 2.576 178.682 176.117 -0.019 0.000 1.080 310 I CA 1.429 62.715 61.300 -0.023 0.000 1.339 310 I CB -0.522 37.461 38.000 -0.029 0.000 1.039 310 I HN 0.437 nan 8.210 nan 0.000 0.409 311 G N -0.153 108.636 108.800 -0.019 0.000 2.509 311 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 311 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 311 G C 1.647 176.540 174.900 -0.012 0.000 1.124 311 G CA 0.167 45.261 45.100 -0.011 0.000 0.776 311 G HN 0.306 nan 8.290 nan 0.000 0.547 312 K N -0.327 120.064 120.400 -0.015 0.000 2.280 312 K HA -0.069 4.251 4.320 0.001 0.000 0.202 312 K C 1.040 177.632 176.600 -0.014 0.000 1.047 312 K CA 0.526 56.804 56.287 -0.015 0.000 0.942 312 K CB -0.258 32.232 32.500 -0.018 0.000 0.739 312 K HN 0.309 nan 8.250 nan 0.000 0.457 313 C N 2.090 121.381 119.300 -0.015 0.000 2.327 313 C HA 0.047 4.507 4.460 0.001 0.000 0.401 313 C C 1.949 176.932 174.990 -0.012 0.000 1.297 313 C CA 0.048 59.056 59.018 -0.016 0.000 1.628 313 C CB -2.201 25.527 27.740 -0.020 0.000 1.787 313 C HN 0.505 nan 8.230 nan 0.000 0.590 314 S N 0.987 116.681 115.700 -0.009 0.000 2.471 314 S HA -0.338 4.133 4.470 0.001 0.000 0.260 314 S C 1.304 175.901 174.600 -0.006 0.000 1.116 314 S CA 2.270 60.467 58.200 -0.006 0.000 1.069 314 S CB -0.356 62.840 63.200 -0.005 0.000 0.897 314 S HN 0.685 nan 8.310 nan 0.000 0.471 315 D N 1.858 122.253 120.400 -0.008 0.000 2.312 315 D HA 0.016 4.656 4.640 0.001 0.000 0.211 315 D C -0.273 176.022 176.300 -0.008 0.000 0.964 315 D CA 0.711 54.706 54.000 -0.008 0.000 0.877 315 D CB -0.368 40.426 40.800 -0.010 0.000 0.924 315 D HN 0.456 nan 8.370 nan 0.000 0.515 316 D N -0.004 120.391 120.400 -0.009 0.000 2.619 316 D HA 0.000 4.641 4.640 0.001 0.000 0.224 316 D C 1.296 177.594 176.300 -0.004 0.000 1.133 316 D CA 0.096 54.091 54.000 -0.008 0.000 1.017 316 D CB 0.290 41.083 40.800 -0.012 0.000 1.077 316 D HN 0.089 nan 8.370 nan 0.000 0.503 317 T N -2.324 112.228 114.554 -0.002 0.000 3.139 317 T HA -0.176 4.175 4.350 0.001 0.000 0.267 317 T C 0.944 175.646 174.700 0.002 0.000 1.164 317 T CA 0.444 62.544 62.100 0.001 0.000 1.075 317 T CB 0.044 68.912 68.868 0.000 0.000 0.904 317 T HN 0.164 nan 8.240 nan 0.000 0.540 318 D N 0.441 120.841 120.400 0.000 0.000 2.360 318 D HA 0.118 4.758 4.640 0.001 0.000 0.210 318 D C 0.570 176.873 176.300 0.004 0.000 1.047 318 D CA -0.402 53.599 54.000 0.001 0.000 0.854 318 D CB -0.322 40.477 40.800 -0.001 0.000 0.936 318 D HN 0.455 nan 8.370 nan 0.000 0.514 319 I N 1.728 122.301 120.570 0.005 0.000 2.379 319 I HA 0.069 4.239 4.170 0.001 0.000 0.290 319 I C 0.092 176.219 176.117 0.016 0.000 1.063 319 I CA -0.134 61.171 61.300 0.009 0.000 1.351 319 I CB 0.715 38.719 38.000 0.006 0.000 1.410 319 I HN -0.138 nan 8.210 nan 0.000 0.505 320 D N 6.511 126.925 120.400 0.023 0.000 2.303 320 D HA 0.049 4.690 4.640 0.001 0.000 0.236 320 D C 0.805 177.138 176.300 0.055 0.000 1.068 320 D CA -0.331 53.687 54.000 0.031 0.000 0.830 320 D CB 1.621 42.435 40.800 0.022 0.000 1.109 320 D HN 0.597 nan 8.370 nan 0.000 0.496 321 Q N 2.980 122.817 119.800 0.062 0.000 2.197 321 Q HA -0.256 4.085 4.340 0.001 0.000 0.211 321 Q C 0.842 176.936 176.000 0.156 0.000 0.993 321 Q CA 1.952 57.816 55.803 0.101 0.000 0.883 321 Q CB 0.295 29.084 28.738 0.086 0.000 0.916 321 Q HN 0.591 nan 8.270 nan 0.000 0.418 322 E N -0.787 119.468 120.200 0.091 0.000 2.230 322 E HA -0.065 4.285 4.350 0.001 0.000 0.192 322 E C 1.695 178.301 176.600 0.010 0.000 0.987 322 E CA 0.500 56.931 56.400 0.051 0.000 0.841 322 E CB 0.226 29.938 29.700 0.020 0.000 0.783 322 E HN 0.337 nan 8.360 nan 0.000 0.481 323 R N 0.481 120.995 120.500 0.024 0.000 2.317 323 R HA 0.132 4.473 4.340 0.001 0.000 0.208 323 R C 0.034 176.344 176.300 0.017 0.000 0.914 323 R CA -0.083 56.017 56.100 0.001 0.000 1.060 323 R CB 0.631 30.932 30.300 0.001 0.000 1.015 323 R HN -0.083 nan 8.270 nan 0.000 0.498 324 V N 2.221 122.184 119.914 0.083 0.000 2.455 324 V HA 0.073 4.194 4.120 0.001 0.000 0.273 324 V C 0.564 176.756 176.094 0.163 0.000 1.045 324 V CA -0.114 62.261 62.300 0.125 0.000 0.976 324 V CB 1.222 33.141 31.823 0.160 0.000 0.993 324 V HN 0.206 nan 8.190 nan 0.000 0.475 325 T N 5.606 120.203 114.554 0.071 0.000 2.797 325 T HA 0.753 5.104 4.350 0.001 0.000 0.279 325 T C -0.788 173.941 174.700 0.048 0.000 0.991 325 T CA -0.504 61.617 62.100 0.034 0.000 0.979 325 T CB 0.820 69.659 68.868 -0.047 0.000 0.943 325 T HN 0.382 nan 8.240 nan 0.000 0.444 326 I N 3.951 124.557 120.570 0.060 0.000 2.608 326 I HA 0.655 4.825 4.170 0.001 0.000 0.295 326 I C -0.085 175.957 176.117 -0.126 0.000 1.049 326 I CA -1.226 60.044 61.300 -0.050 0.000 1.063 326 I CB 2.273 40.241 38.000 -0.053 0.000 1.248 326 I HN 0.819 nan 8.210 nan 0.000 0.424 327 R N 3.769 124.138 120.500 -0.220 0.000 2.707 327 R HA 0.597 4.938 4.340 0.001 0.000 0.272 327 R C -2.104 174.013 176.300 -0.306 0.000 1.011 327 R CA -0.729 55.258 56.100 -0.187 0.000 0.893 327 R CB 1.489 31.740 30.300 -0.082 0.000 1.233 327 R HN 0.236 nan 8.270 nan 0.000 0.464 328 F N 1.865 121.852 119.950 0.062 0.000 2.332 328 F HA 0.477 5.004 4.527 0.001 0.000 0.368 328 F C 1.357 177.153 175.800 -0.007 0.000 1.110 328 F CA 0.764 58.830 58.000 0.109 0.000 1.087 328 F CB 1.525 40.626 39.000 0.168 0.000 1.235 328 F HN 1.042 nan 8.300 nan 0.000 0.470 329 G N 2.633 111.494 108.800 0.102 0.000 5.431 329 G HA2 -0.321 3.640 3.960 0.001 0.000 0.322 329 G HA3 -0.321 3.640 3.960 0.001 0.000 0.322 329 G C 1.187 175.978 174.900 -0.182 0.000 1.370 329 G CA 0.805 45.724 45.100 -0.301 0.000 0.963 329 G HN 0.457 nan 8.290 nan 0.000 0.797 330 E N -0.766 119.332 120.200 -0.170 0.000 2.502 330 E HA 0.242 4.592 4.350 0.001 0.000 0.206 330 E C 0.776 177.351 176.600 -0.043 0.000 0.821 330 E CA 0.605 56.950 56.400 -0.092 0.000 1.354 330 E CB 0.729 30.370 29.700 -0.097 0.000 1.336 330 E HN 0.440 nan 8.360 nan 0.000 0.675 331 V N 3.584 123.490 119.914 -0.014 0.000 2.439 331 V HA 0.067 4.187 4.120 0.001 0.000 0.271 331 V C 0.502 176.624 176.094 0.047 0.000 1.040 331 V CA -0.075 62.239 62.300 0.024 0.000 1.002 331 V CB 0.544 32.398 31.823 0.051 0.000 1.000 331 V HN 0.112 nan 8.190 nan 0.000 0.477 332 E N 3.788 123.990 120.200 0.004 0.000 2.351 332 E HA 0.142 4.493 4.350 0.001 0.000 0.266 332 E C 0.666 177.265 176.600 -0.002 0.000 1.031 332 E CA -0.170 56.219 56.400 -0.019 0.000 0.911 332 E CB 1.133 30.799 29.700 -0.056 0.000 0.986 332 E HN 0.692 nan 8.360 nan 0.000 0.446 333 V N 2.802 122.724 119.914 0.012 0.000 3.528 333 V HA 0.311 4.432 4.120 0.001 0.000 0.294 333 V C -0.490 175.457 176.094 -0.245 0.000 1.404 333 V CA -0.322 61.984 62.300 0.009 0.000 1.065 333 V CB -0.385 31.616 31.823 0.296 0.000 0.904 333 V HN 0.603 nan 8.190 nan 0.000 0.435 334 Y N 0.736 120.800 120.300 -0.394 0.000 2.401 334 Y HA 0.745 5.296 4.550 0.001 0.000 0.330 334 Y C -3.172 172.535 175.900 -0.323 0.000 1.071 334 Y CA -2.463 55.300 58.100 -0.563 0.000 1.049 334 Y CB 2.488 40.542 38.460 -0.675 0.000 1.239 334 Y HN -0.005 nan 8.280 nan 0.000 0.437 335 P HA 0.153 nan 4.420 nan 0.000 0.269 335 P C -2.423 174.537 177.300 -0.566 0.000 1.217 335 P CA -0.458 61.960 63.100 -1.136 0.000 0.783 335 P CB 0.190 31.417 31.700 -0.788 0.000 0.898 345 D N 0.488 120.897 120.400 0.015 0.000 2.078 345 D HA 0.230 4.870 4.640 0.001 0.000 0.193 345 D C 2.548 178.857 176.300 0.015 0.000 0.990 345 D CA 3.808 57.817 54.000 0.015 0.000 0.827 345 D CB -1.091 39.716 40.800 0.011 0.000 0.975 345 D HN 1.321 nan 8.370 nan 0.000 0.451 346 A N 0.142 122.969 122.820 0.012 0.000 1.929 346 A HA -0.113 4.207 4.320 0.001 0.000 0.221 346 A C 2.482 180.075 177.584 0.014 0.000 1.211 346 A CA 2.099 54.142 52.037 0.011 0.000 0.657 346 A CB -0.764 18.241 19.000 0.007 0.000 0.827 346 A HN 0.570 nan 8.150 nan 0.000 0.462 347 L N -1.574 119.659 121.223 0.017 0.000 2.044 347 L HA -0.169 4.172 4.340 0.001 0.000 0.205 347 L C 3.306 180.196 176.870 0.034 0.000 1.075 347 L CA 1.376 56.230 54.840 0.024 0.000 0.747 347 L CB -0.854 41.220 42.059 0.024 0.000 0.903 347 L HN 0.533 nan 8.230 nan 0.000 0.435 348 R N 0.682 121.203 120.500 0.035 0.000 2.154 348 R HA -0.158 4.182 4.340 0.001 0.000 0.248 348 R C 2.195 178.511 176.300 0.027 0.000 1.155 348 R CA 1.823 57.946 56.100 0.039 0.000 0.979 348 R CB -1.756 28.565 30.300 0.036 0.000 0.869 348 R HN 0.546 nan 8.270 nan 0.000 0.452 349 A N -0.107 122.727 122.820 0.022 0.000 2.067 349 A HA 0.453 4.773 4.320 0.001 0.000 0.217 349 A C 2.705 180.303 177.584 0.023 0.000 1.156 349 A CA 1.320 53.367 52.037 0.016 0.000 0.683 349 A CB -0.394 18.614 19.000 0.013 0.000 0.808 349 A HN 0.859 nan 8.150 nan 0.000 0.455 350 A N -0.572 122.266 122.820 0.030 0.000 1.878 350 A HA 0.113 4.434 4.320 0.001 0.000 0.213 350 A C 2.088 179.711 177.584 0.065 0.000 1.192 350 A CA 1.377 53.437 52.037 0.039 0.000 0.619 350 A CB -0.817 18.199 19.000 0.027 0.000 0.837 350 A HN 0.311 nan 8.150 nan 0.000 0.446 351 V N 0.188 120.141 119.914 0.065 0.000 2.469 351 V HA -0.254 3.867 4.120 0.001 0.000 0.251 351 V C 2.953 179.062 176.094 0.026 0.000 1.064 351 V CA 1.878 64.227 62.300 0.082 0.000 1.066 351 V CB -1.061 30.811 31.823 0.081 0.000 0.667 351 V HN 0.604 nan 8.190 nan 0.000 0.461 352 A N -0.890 121.933 122.820 0.005 0.000 1.897 352 A HA -0.135 4.186 4.320 0.001 0.000 0.215 352 A C 2.258 179.835 177.584 -0.011 0.000 1.181 352 A CA 1.238 53.258 52.037 -0.028 0.000 0.620 352 A CB -0.356 18.631 19.000 -0.021 0.000 0.821 352 A HN 0.450 nan 8.150 nan 0.000 0.443 353 E N -0.621 119.594 120.200 0.024 0.000 2.110 353 E HA -0.205 4.145 4.350 0.001 0.000 0.193 353 E C 1.834 178.471 176.600 0.062 0.000 0.988 353 E CA 1.513 57.933 56.400 0.033 0.000 0.804 353 E CB -0.411 29.314 29.700 0.042 0.000 0.745 353 E HN 0.818 nan 8.360 nan 0.000 0.458 354 H N 0.325 119.390 119.070 -0.009 0.000 2.321 354 H HA -0.071 4.485 4.556 0.001 0.000 0.300 354 H C 1.631 176.955 175.328 -0.007 0.000 1.087 354 H CA 1.295 57.347 56.048 0.007 0.000 1.319 354 H CB -0.219 29.565 29.762 0.037 0.000 1.379 354 H HN 0.011 nan 8.280 nan 0.000 0.501 355 L N 0.287 121.436 121.223 -0.123 0.000 2.675 355 L HA 0.087 4.428 4.340 0.001 0.000 0.238 355 L C 2.169 178.950 176.870 -0.148 0.000 1.155 355 L CA 0.797 55.517 54.840 -0.198 0.000 0.881 355 L CB -0.239 41.698 42.059 -0.203 0.000 1.008 355 L HN 0.189 nan 8.230 nan 0.000 0.443 356 R N -1.349 119.086 120.500 -0.108 0.000 2.282 356 R HA 0.210 4.550 4.340 0.001 0.000 0.195 356 R C 1.080 177.334 176.300 -0.077 0.000 0.909 356 R CA 0.266 56.316 56.100 -0.084 0.000 1.039 356 R CB 0.316 30.584 30.300 -0.053 0.000 1.015 356 R HN 0.361 nan 8.270 nan 0.000 0.513 357 G N 0.081 108.828 108.800 -0.089 0.000 2.547 357 G HA2 0.033 3.993 3.960 0.001 0.000 0.291 357 G HA3 0.033 3.993 3.960 0.001 0.000 0.291 357 G C -0.400 174.455 174.900 -0.076 0.000 1.211 357 G CA -0.458 44.602 45.100 -0.066 0.000 0.950 357 G HN 0.283 nan 8.290 nan 0.000 0.504 358 D N -1.656 118.719 120.400 -0.041 0.000 2.323 358 D HA 0.084 4.725 4.640 0.001 0.000 0.239 358 D C 0.204 176.493 176.300 -0.019 0.000 1.129 358 D CA 0.193 54.177 54.000 -0.027 0.000 0.865 358 D CB 0.318 41.114 40.800 -0.007 0.000 0.913 358 D HN 0.411 nan 8.370 nan 0.000 0.517 359 E N 0.426 120.600 120.200 -0.043 0.000 2.874 359 E HA 0.191 4.541 4.350 0.001 0.000 0.320 359 E C -1.243 175.312 176.600 -0.076 0.000 1.141 359 E CA -0.446 55.947 56.400 -0.012 0.000 0.774 359 E CB 1.732 31.454 29.700 0.036 0.000 1.542 359 E HN -0.011 nan 8.360 nan 0.000 0.380 360 V N 2.235 122.084 119.914 -0.107 0.000 2.546 360 V HA 0.275 4.395 4.120 0.001 0.000 0.284 360 V C 0.210 176.360 176.094 0.093 0.000 1.050 360 V CA -0.481 61.712 62.300 -0.179 0.000 0.981 360 V CB 1.590 33.346 31.823 -0.111 0.000 0.990 360 V HN 0.272 nan 8.190 nan 0.000 0.474 361 V N 6.287 126.419 119.914 0.364 0.000 2.495 361 V HA 0.511 4.631 4.120 0.001 0.000 0.298 361 V C -0.290 175.957 176.094 0.255 0.000 1.031 361 V CA -0.397 62.074 62.300 0.286 0.000 0.871 361 V CB 1.821 33.795 31.823 0.252 0.000 0.988 361 V HN 0.681 nan 8.190 nan 0.000 0.432 362 I N 4.252 124.880 120.570 0.096 0.000 2.420 362 I HA 0.519 4.689 4.170 0.001 0.000 0.282 362 I C 0.714 176.785 176.117 -0.077 0.000 1.019 362 I CA -0.205 61.075 61.300 -0.032 0.000 1.130 362 I CB 1.642 39.621 38.000 -0.035 0.000 1.262 362 I HN 0.708 nan 8.210 nan 0.000 0.454 363 G N 7.233 115.969 108.800 -0.107 0.000 2.332 363 G HA2 0.746 4.706 3.960 0.001 0.000 0.310 363 G HA3 0.746 4.706 3.960 0.001 0.000 0.310 363 G C -0.671 174.169 174.900 -0.099 0.000 1.123 363 G CA -0.334 44.716 45.100 -0.083 0.000 0.873 363 G HN 0.500 nan 8.290 nan 0.000 0.460 364 I N 1.987 122.518 120.570 -0.065 0.000 2.478 364 I HA 0.240 4.411 4.170 0.001 0.000 0.287 364 I C -1.102 174.999 176.117 -0.027 0.000 1.042 364 I CA -0.664 60.606 61.300 -0.050 0.000 1.067 364 I CB 2.318 40.292 38.000 -0.044 0.000 1.233 364 I HN 0.334 nan 8.210 nan 0.000 0.431 365 D N 6.661 127.050 120.400 -0.019 0.000 2.308 365 D HA 0.355 4.996 4.640 0.001 0.000 0.242 365 D C 0.507 176.807 176.300 0.000 0.000 1.059 365 D CA -0.366 53.627 54.000 -0.012 0.000 0.830 365 D CB 2.134 42.922 40.800 -0.020 0.000 1.161 365 D HN 0.475 nan 8.370 nan 0.000 0.494 366 L N 2.714 123.937 121.223 0.000 0.000 2.477 366 L HA 0.206 4.547 4.340 0.001 0.000 0.220 366 L C 1.144 178.016 176.870 0.003 0.000 1.106 366 L CA 0.098 54.942 54.840 0.005 0.000 0.851 366 L CB -0.168 41.893 42.059 0.003 0.000 0.994 366 L HN 0.614 nan 8.230 nan 0.000 0.462 367 A N 0.702 123.520 122.820 -0.003 0.000 2.475 367 A HA -0.197 4.123 4.320 0.001 0.000 0.295 367 A C 0.596 178.177 177.584 -0.005 0.000 1.457 367 A CA 0.956 52.989 52.037 -0.007 0.000 0.734 367 A CB -1.885 17.109 19.000 -0.010 0.000 1.118 367 A HN 0.471 nan 8.150 nan 0.000 0.400 368 I N -1.972 118.596 120.570 -0.004 0.000 3.493 368 I HA 0.518 4.689 4.170 0.001 0.000 0.262 368 I C 1.219 177.334 176.117 -0.003 0.000 1.085 368 I CA 0.400 61.698 61.300 -0.003 0.000 1.692 368 I CB -0.006 37.993 38.000 -0.001 0.000 1.712 368 I HN 0.768 nan 8.210 nan 0.000 0.412 369 A N 0.361 123.181 122.820 -0.001 0.000 2.726 369 A HA 0.573 4.894 4.320 0.001 0.000 0.248 369 A C 0.214 177.798 177.584 0.001 0.000 1.249 369 A CA 0.549 52.585 52.037 -0.000 0.000 0.846 369 A CB -0.333 18.668 19.000 0.001 0.000 1.391 369 A HN 0.347 nan 8.150 nan 0.000 0.497 370 D N -0.404 119.998 120.400 0.002 0.000 2.340 370 D HA 0.401 5.042 4.640 0.001 0.000 0.220 370 D C 0.973 177.279 176.300 0.011 0.000 1.039 370 D CA 0.564 54.566 54.000 0.003 0.000 0.866 370 D CB -0.460 40.341 40.800 0.001 0.000 0.913 370 D HN 1.114 nan 8.370 nan 0.000 0.523 371 G N -0.200 108.610 108.800 0.016 0.000 2.225 371 G HA2 0.493 4.454 3.960 0.001 0.000 0.245 371 G HA3 0.493 4.454 3.960 0.001 0.000 0.245 371 G C 0.139 175.065 174.900 0.043 0.000 1.249 371 G CA 0.761 45.880 45.100 0.031 0.000 0.919 371 G HN 1.018 nan 8.290 nan 0.000 0.486 372 A N 1.798 124.660 122.820 0.071 0.000 2.566 372 A HA 0.933 5.254 4.320 0.001 0.000 0.292 372 A C -1.340 176.359 177.584 0.192 0.000 1.112 372 A CA -0.702 51.387 52.037 0.086 0.000 0.707 372 A CB 1.890 20.909 19.000 0.031 0.000 1.302 372 A HN 1.309 nan 8.150 nan 0.000 0.409 373 F N -1.036 118.895 119.950 -0.032 0.000 2.769 373 F HA 0.566 5.094 4.527 0.001 0.000 0.313 373 F C -0.852 174.910 175.800 -0.062 0.000 1.146 373 F CA 0.160 58.139 58.000 -0.034 0.000 0.934 373 F CB 1.729 40.711 39.000 -0.030 0.000 1.283 373 F HN 0.620 nan 8.300 nan 0.000 0.443 374 T N 3.363 117.747 114.554 -0.283 0.000 2.881 374 T HA 0.662 5.012 4.350 0.001 0.000 0.290 374 T C -1.435 173.145 174.700 -0.199 0.000 1.000 374 T CA -0.544 61.427 62.100 -0.215 0.000 0.978 374 T CB 1.491 70.185 68.868 -0.290 0.000 0.997 374 T HN 0.729 nan 8.240 nan 0.000 0.443 375 V N 1.582 121.352 119.914 -0.240 0.000 2.769 375 V HA 0.841 4.962 4.120 0.001 0.000 0.312 375 V C -1.710 174.071 176.094 -0.522 0.000 1.061 375 V CA -1.001 61.192 62.300 -0.179 0.000 0.931 375 V CB 1.373 33.214 31.823 0.030 0.000 1.010 375 V HN 0.793 nan 8.190 nan 0.000 0.433 376 Y N 1.837 122.160 120.300 0.039 0.000 2.509 376 Y HA 0.983 5.534 4.550 0.001 0.000 0.341 376 Y C 0.797 176.710 175.900 0.021 0.000 1.038 376 Y CA 0.201 58.312 58.100 0.018 0.000 1.089 376 Y CB 2.479 40.935 38.460 -0.006 0.000 1.241 376 Y HN 1.161 nan 8.280 nan 0.000 0.468 377 G N -0.567 108.326 108.800 0.154 0.000 2.726 377 G HA2 0.560 4.520 3.960 0.001 0.000 0.198 377 G HA3 0.560 4.520 3.960 0.001 0.000 0.198 377 G C -1.441 173.501 174.900 0.070 0.000 1.195 377 G CA -0.205 44.947 45.100 0.087 0.000 0.951 377 G HN 1.260 nan 8.290 nan 0.000 0.532 378 C N -0.014 119.306 119.300 0.033 0.000 3.289 378 C HA 0.624 5.085 4.460 0.001 0.000 0.354 378 C C -1.183 173.812 174.990 0.007 0.000 1.201 378 C CA -0.543 58.492 59.018 0.029 0.000 1.199 378 C CB 1.076 28.834 27.740 0.031 0.000 1.511 378 C HN 1.106 nan 8.230 nan 0.000 0.506 379 D N 1.437 121.855 120.400 0.029 0.000 2.399 379 D HA 0.320 4.961 4.640 0.001 0.000 0.241 379 D C -0.271 176.024 176.300 -0.010 0.000 1.133 379 D CA -0.146 53.876 54.000 0.037 0.000 0.890 379 D CB 1.123 41.986 40.800 0.106 0.000 1.201 379 D HN 0.971 nan 8.370 nan 0.000 0.432 380 L N 1.684 122.870 121.223 -0.061 0.000 2.261 380 L HA 0.313 4.654 4.340 0.001 0.000 0.289 380 L C 0.168 176.902 176.870 -0.226 0.000 1.059 380 L CA -0.093 54.658 54.840 -0.148 0.000 0.816 380 L CB 0.754 42.712 42.059 -0.168 0.000 1.191 380 L HN 0.602 nan 8.230 nan 0.000 0.431 381 T N 0.235 114.658 114.554 -0.218 0.000 2.936 381 T HA 0.374 4.725 4.350 0.001 0.000 0.282 381 T C 0.685 175.258 174.700 -0.211 0.000 1.003 381 T CA -0.501 61.341 62.100 -0.430 0.000 1.005 381 T CB 0.977 69.734 68.868 -0.186 0.000 1.097 381 T HN 0.708 nan 8.240 nan 0.000 0.532 382 E N 0.226 120.293 120.200 -0.222 0.000 2.516 382 E HA 0.081 4.431 4.350 0.001 0.000 0.199 382 E C 1.790 178.381 176.600 -0.014 0.000 1.069 382 E CA 0.408 56.761 56.400 -0.077 0.000 0.876 382 E CB -0.316 29.355 29.700 -0.048 0.000 0.843 382 E HN 0.872 nan 8.360 nan 0.000 0.530 383 G N 0.147 108.951 108.800 0.005 0.000 2.656 383 G HA2 -0.201 3.759 3.960 0.001 0.000 0.211 383 G HA3 -0.201 3.759 3.960 0.001 0.000 0.211 383 G C 1.236 176.166 174.900 0.052 0.000 1.137 383 G CA -0.155 44.962 45.100 0.029 0.000 0.802 383 G HN 0.280 nan 8.290 nan 0.000 0.527 384 Y N 1.299 121.572 120.300 -0.043 0.000 2.242 384 Y HA -0.030 4.520 4.550 0.001 0.000 0.291 384 Y C 2.554 178.434 175.900 -0.032 0.000 1.137 384 Y CA 1.273 59.354 58.100 -0.033 0.000 1.181 384 Y CB -0.071 38.368 38.460 -0.036 0.000 0.989 384 Y HN 0.015 nan 8.280 nan 0.000 0.527 385 V N 1.025 121.013 119.914 0.123 0.000 2.237 385 V HA -0.305 3.816 4.120 0.001 0.000 0.245 385 V C 2.550 178.610 176.094 -0.057 0.000 1.046 385 V CA 2.331 64.653 62.300 0.037 0.000 1.007 385 V CB -0.780 31.074 31.823 0.052 0.000 0.638 385 V HN 0.356 nan 8.190 nan 0.000 0.445 386 R N -0.215 120.264 120.500 -0.035 0.000 2.112 386 R HA -0.207 4.134 4.340 0.001 0.000 0.242 386 R C 2.303 178.557 176.300 -0.077 0.000 1.137 386 R CA 2.104 58.178 56.100 -0.044 0.000 0.944 386 R CB -0.450 29.835 30.300 -0.024 0.000 0.857 386 R HN 0.459 nan 8.270 nan 0.000 0.435 387 L N 0.485 121.649 121.223 -0.100 0.000 2.042 387 L HA -0.199 4.142 4.340 0.001 0.000 0.210 387 L C 1.738 178.501 176.870 -0.179 0.000 1.076 387 L CA 1.258 56.023 54.840 -0.125 0.000 0.749 387 L CB -0.481 41.502 42.059 -0.127 0.000 0.893 387 L HN 0.327 nan 8.230 nan 0.000 0.432 388 N N -0.313 118.213 118.700 -0.290 0.000 2.398 388 N HA 0.006 4.747 4.740 0.001 0.000 0.188 388 N C 1.508 176.912 175.510 -0.177 0.000 1.122 388 N CA 0.916 53.785 53.050 -0.301 0.000 0.866 388 N CB 0.452 38.602 38.487 -0.561 0.000 0.970 388 N HN 0.339 nan 8.380 nan 0.000 0.462 389 S N 0.074 115.698 115.700 -0.127 0.000 2.540 389 S HA 0.253 4.724 4.470 0.001 0.000 0.218 389 S C 0.928 175.492 174.600 -0.061 0.000 0.977 389 S CA -0.039 58.115 58.200 -0.076 0.000 0.918 389 S CB 0.012 63.179 63.200 -0.053 0.000 0.806 389 S HN 0.398 nan 8.310 nan 0.000 0.496 390 E N 0.000 120.159 120.200 -0.068 0.000 2.725 390 E HA 0.000 4.351 4.350 0.001 0.000 0.291 390 E CA 0.000 56.369 56.400 -0.051 0.000 0.976 390 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440