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 2np6_1_D DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTAYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.066 176.094 -0.047 0.000 1.182 21 V CA 0.000 62.234 62.300 -0.110 0.000 1.235 21 V CB 0.000 31.704 31.823 -0.199 0.000 1.184 22 E N -1.049 119.129 120.200 -0.036 0.000 2.424 22 E HA 0.423 4.773 4.350 0.001 0.000 0.283 22 E C -1.787 174.903 176.600 0.150 0.000 1.194 22 E CA 0.084 56.513 56.400 0.049 0.000 0.938 22 E CB 1.527 31.258 29.700 0.052 0.000 1.158 22 E HN 0.521 nan 8.360 nan 0.000 0.429 23 T N 3.085 117.714 114.554 0.126 0.000 2.848 23 T HA 0.518 4.869 4.350 0.001 0.000 0.285 23 T C -2.682 172.021 174.700 0.005 0.000 0.995 23 T CA -1.356 60.833 62.100 0.149 0.000 0.970 23 T CB 1.523 70.469 68.868 0.130 0.000 0.976 23 T HN 0.165 nan 8.240 nan 0.000 0.441 24 P HA 0.110 nan 4.420 nan 0.000 0.262 24 P C -1.851 175.415 177.300 -0.055 0.000 1.182 24 P CA -1.018 62.037 63.100 -0.076 0.000 0.761 24 P CB 0.097 31.714 31.700 -0.138 0.000 0.795 25 P HA -0.279 nan 4.420 nan 0.000 0.219 25 P C 1.325 178.621 177.300 -0.007 0.000 1.158 25 P CA 1.756 64.829 63.100 -0.044 0.000 0.895 25 P CB -0.129 31.549 31.700 -0.037 0.000 0.792 26 E N -0.801 119.410 120.200 0.020 0.000 2.274 26 E HA -0.068 4.283 4.350 0.001 0.000 0.194 26 E C 1.986 178.754 176.600 0.280 0.000 0.996 26 E CA 0.904 57.353 56.400 0.083 0.000 0.840 26 E CB -1.375 28.299 29.700 -0.042 0.000 0.772 26 E HN 0.154 nan 8.360 nan 0.000 0.491 27 V N 1.540 121.585 119.914 0.218 0.000 2.379 27 V HA -0.179 3.942 4.120 0.001 0.000 0.245 27 V C 2.631 178.840 176.094 0.190 0.000 1.044 27 V CA 1.199 63.611 62.300 0.187 0.000 1.036 27 V CB -0.353 31.446 31.823 -0.039 0.000 0.664 27 V HN 0.076 nan 8.190 nan 0.000 0.453 28 V N 0.438 120.383 119.914 0.052 0.000 2.287 28 V HA -0.289 3.832 4.120 0.001 0.000 0.248 28 V C 2.313 178.445 176.094 0.065 0.000 1.053 28 V CA 2.303 64.561 62.300 -0.071 0.000 1.027 28 V CB -0.810 30.802 31.823 -0.351 0.000 0.646 28 V HN 0.532 nan 8.190 nan 0.000 0.447 29 D N -0.429 120.021 120.400 0.084 0.000 2.123 29 D HA -0.192 4.449 4.640 0.001 0.000 0.196 29 D C 1.864 178.270 176.300 0.178 0.000 0.992 29 D CA 1.441 55.505 54.000 0.108 0.000 0.833 29 D CB -0.360 40.492 40.800 0.087 0.000 0.954 29 D HN 0.489 nan 8.370 nan 0.000 0.455 30 F N 0.904 120.906 119.950 0.088 0.000 2.113 30 F HA -0.060 4.468 4.527 0.002 0.000 0.297 30 F C 2.305 178.107 175.800 0.004 0.000 1.103 30 F CA 1.107 59.145 58.000 0.063 0.000 1.248 30 F CB -0.363 38.719 39.000 0.137 0.000 0.999 30 F HN -0.170 nan 8.300 nan 0.000 0.475 31 M N -0.405 119.107 119.600 -0.147 0.000 2.086 31 M HA -0.208 4.273 4.480 0.001 0.000 0.261 31 M C 2.069 178.341 176.300 -0.045 0.000 1.067 31 M CA 1.677 56.862 55.300 -0.192 0.000 1.116 31 M CB -0.678 32.008 32.600 0.143 0.000 1.348 31 M HN 0.030 nan 8.290 nan 0.000 0.407 32 V N 0.323 120.316 119.914 0.133 0.000 2.469 32 V HA -0.252 3.869 4.120 0.001 0.000 0.251 32 V C 2.507 178.706 176.094 0.176 0.000 1.064 32 V CA 2.124 64.568 62.300 0.239 0.000 1.066 32 V CB -0.980 31.002 31.823 0.266 0.000 0.667 32 V HN 0.650 nan 8.190 nan 0.000 0.461 33 S N -0.369 115.346 115.700 0.024 0.000 2.481 33 S HA -0.003 4.468 4.470 0.001 0.000 0.231 33 S C 1.689 176.226 174.600 -0.105 0.000 0.996 33 S CA 1.072 59.256 58.200 -0.028 0.000 0.942 33 S CB -0.360 62.831 63.200 -0.014 0.000 0.768 33 S HN 0.577 nan 8.310 nan 0.000 0.520 34 L N 0.791 121.874 121.223 -0.234 0.000 2.513 34 L HA 0.426 4.767 4.340 0.001 0.000 0.222 34 L C 1.302 178.124 176.870 -0.079 0.000 1.096 34 L CA 0.077 54.757 54.840 -0.266 0.000 0.857 34 L CB -0.405 41.307 42.059 -0.578 0.000 1.026 34 L HN 0.307 nan 8.230 nan 0.000 0.469 35 A N 1.055 123.894 122.820 0.031 0.000 2.454 35 A HA 0.342 4.663 4.320 0.001 0.000 0.260 35 A C -0.035 177.693 177.584 0.239 0.000 1.106 35 A CA 0.136 52.251 52.037 0.129 0.000 0.780 35 A CB 0.143 19.277 19.000 0.223 0.000 1.044 35 A HN 0.243 nan 8.150 nan 0.000 0.498 36 E N 0.247 120.542 120.200 0.158 0.000 2.317 36 E HA 0.670 5.020 4.350 0.001 0.000 0.270 36 E C -0.908 175.779 176.600 0.145 0.000 0.885 36 E CA -0.635 55.876 56.400 0.186 0.000 0.760 36 E CB 2.308 32.080 29.700 0.121 0.000 1.227 36 E HN 0.894 nan 8.360 nan 0.000 0.434 37 A N 3.010 125.969 122.820 0.232 0.000 2.574 37 A HA 0.632 4.953 4.320 0.001 0.000 0.297 37 A C -2.682 175.087 177.584 0.308 0.000 1.062 37 A CA -1.187 50.973 52.037 0.205 0.000 0.686 37 A CB 1.261 20.322 19.000 0.101 0.000 1.285 37 A HN 0.399 nan 8.150 nan 0.000 0.403 38 P HA 0.368 nan 4.420 nan 0.000 0.274 38 P C -0.270 177.132 177.300 0.170 0.000 1.246 38 P CA -0.495 62.705 63.100 0.167 0.000 0.795 38 P CB 0.445 32.198 31.700 0.089 0.000 1.006 39 R N 0.599 121.121 120.500 0.037 0.000 2.502 39 R HA 0.265 4.606 4.340 0.001 0.000 0.292 39 R C 1.305 177.538 176.300 -0.111 0.000 0.998 39 R CA 1.473 57.498 56.100 -0.126 0.000 1.056 39 R CB -1.280 28.966 30.300 -0.091 0.000 0.939 39 R HN 0.850 nan 8.270 nan 0.000 0.411 40 G N 2.270 110.942 108.800 -0.212 0.000 2.212 40 G HA2 -0.275 3.686 3.960 0.001 0.000 0.266 40 G HA3 -0.275 3.686 3.960 0.001 0.000 0.266 40 G C 0.547 175.440 174.900 -0.012 0.000 0.978 40 G CA 0.153 45.192 45.100 -0.102 0.000 0.632 40 G HN 1.061 nan 8.290 nan 0.000 0.537 41 G N -0.181 108.662 108.800 0.072 0.000 2.562 41 G HA2 0.374 4.335 3.960 0.001 0.000 0.233 41 G HA3 0.374 4.335 3.960 0.001 0.000 0.233 41 G C 0.283 175.229 174.900 0.075 0.000 1.266 41 G CA -0.072 45.095 45.100 0.112 0.000 0.852 41 G HN 0.638 nan 8.290 nan 0.000 0.581 42 R N 0.405 120.924 120.500 0.032 0.000 2.216 42 R HA 0.357 4.698 4.340 0.001 0.000 0.332 42 R C -0.659 175.759 176.300 0.197 0.000 1.056 42 R CA -0.437 55.698 56.100 0.058 0.000 0.901 42 R CB 1.423 31.635 30.300 -0.147 0.000 1.039 42 R HN 0.231 nan 8.270 nan 0.000 0.456 43 V N 5.448 125.400 119.914 0.063 0.000 2.417 43 V HA 0.342 4.463 4.120 0.001 0.000 0.291 43 V C -0.768 175.341 176.094 0.024 0.000 1.024 43 V CA -0.852 61.382 62.300 -0.110 0.000 0.861 43 V CB 1.641 33.122 31.823 -0.570 0.000 0.985 43 V HN 0.486 nan 8.190 nan 0.000 0.436 44 L N 4.495 125.648 121.223 -0.116 0.000 2.356 44 L HA 0.635 4.976 4.340 0.001 0.000 0.277 44 L C -0.354 176.407 176.870 -0.182 0.000 0.996 44 L CA -0.068 54.621 54.840 -0.251 0.000 0.822 44 L CB 1.829 43.393 42.059 -0.825 0.000 1.256 44 L HN 0.771 nan 8.230 nan 0.000 0.413 45 E N 6.575 126.700 120.200 -0.124 0.000 2.092 45 E HA 0.487 4.838 4.350 0.001 0.000 0.271 45 E C -2.518 173.941 176.600 -0.236 0.000 0.919 45 E CA -2.191 54.124 56.400 -0.141 0.000 0.760 45 E CB 1.206 30.881 29.700 -0.043 0.000 1.106 45 E HN 0.440 nan 8.360 nan 0.000 0.408 46 P HA 0.153 nan 4.420 nan 0.000 0.278 46 P C -0.952 176.154 177.300 -0.324 0.000 1.238 46 P CA 0.010 62.791 63.100 -0.533 0.000 0.794 46 P CB 1.338 32.453 31.700 -0.975 0.000 0.955 47 A N 1.617 124.334 122.820 -0.172 0.000 2.610 47 A HA -0.238 4.083 4.320 0.001 0.000 0.299 47 A C 1.381 178.860 177.584 -0.174 0.000 1.487 47 A CA 0.949 52.899 52.037 -0.146 0.000 0.743 47 A CB -2.341 16.476 19.000 -0.306 0.000 1.070 47 A HN 0.803 nan 8.150 nan 0.000 0.439 48 C N -2.252 116.962 119.300 -0.144 0.000 2.485 48 C HA 0.472 4.933 4.460 0.001 0.000 0.278 48 C C 2.386 177.288 174.990 -0.146 0.000 1.356 48 C CA 0.847 59.781 59.018 -0.140 0.000 1.747 48 C CB -1.201 26.462 27.740 -0.128 0.000 2.001 48 C HN 2.657 nan 8.230 nan 0.000 0.501 49 A N 2.490 125.254 122.820 -0.093 0.000 5.195 49 A HA -0.418 3.903 4.320 0.001 0.000 0.339 49 A C 1.413 178.976 177.584 -0.034 0.000 1.740 49 A CA 2.757 54.775 52.037 -0.033 0.000 0.704 49 A CB -2.492 16.538 19.000 0.049 0.000 1.441 49 A HN 1.372 nan 8.150 nan 0.000 0.397 50 H N 0.203 119.238 119.070 -0.059 0.000 2.556 50 H HA 0.449 5.006 4.556 0.001 0.000 0.268 50 H C 1.257 176.541 175.328 -0.074 0.000 0.996 50 H CA 1.003 57.008 56.048 -0.072 0.000 1.157 50 H CB -0.634 29.090 29.762 -0.063 0.000 1.355 50 H HN 2.349 nan 8.280 nan 0.000 0.597 51 G N 1.622 110.181 108.800 -0.401 0.000 2.326 51 G HA2 -0.224 3.737 3.960 0.001 0.000 0.286 51 G HA3 -0.224 3.737 3.960 0.001 0.000 0.286 51 G C -1.250 173.505 174.900 -0.242 0.000 1.096 51 G CA 0.057 45.008 45.100 -0.248 0.000 1.003 51 G HN 0.477 nan 8.290 nan 0.000 0.503 52 P HA -0.105 nan 4.420 nan 0.000 0.218 52 P C 1.556 178.749 177.300 -0.177 0.000 1.149 52 P CA 0.945 63.881 63.100 -0.274 0.000 0.817 52 P CB -0.015 31.485 31.700 -0.335 0.000 0.785 53 F N -0.353 119.568 119.950 -0.047 0.000 2.234 53 F HA -0.003 4.525 4.527 0.001 0.000 0.296 53 F C 2.588 178.460 175.800 0.120 0.000 1.089 53 F CA 0.911 58.931 58.000 0.034 0.000 1.343 53 F CB -1.134 37.864 39.000 -0.002 0.000 1.040 53 F HN -0.273 nan 8.300 nan 0.000 0.498 54 L N -0.467 120.928 121.223 0.286 0.000 2.083 54 L HA -0.201 4.140 4.340 0.001 0.000 0.209 54 L C 2.488 179.551 176.870 0.322 0.000 1.083 54 L CA 1.328 56.375 54.840 0.345 0.000 0.752 54 L CB -0.568 41.678 42.059 0.311 0.000 0.899 54 L HN 0.062 nan 8.230 nan 0.000 0.433 55 R N -0.108 120.554 120.500 0.268 0.000 2.066 55 R HA -0.075 4.266 4.340 0.001 0.000 0.232 55 R C 2.444 178.826 176.300 0.137 0.000 1.131 55 R CA 1.303 57.560 56.100 0.262 0.000 0.955 55 R CB -0.436 29.981 30.300 0.195 0.000 0.851 55 R HN 0.320 nan 8.270 nan 0.000 0.432 56 A N 0.342 123.232 122.820 0.116 0.000 1.969 56 A HA -0.144 4.177 4.320 0.001 0.000 0.218 56 A C 1.900 179.584 177.584 0.167 0.000 1.169 56 A CA 0.828 52.919 52.037 0.090 0.000 0.635 56 A CB -0.483 18.529 19.000 0.020 0.000 0.810 56 A HN 0.333 nan 8.150 nan 0.000 0.445 57 F N 0.199 120.218 119.950 0.115 0.000 2.146 57 F HA -0.063 4.465 4.527 0.001 0.000 0.298 57 F C 2.376 178.275 175.800 0.165 0.000 1.096 57 F CA 1.803 59.881 58.000 0.131 0.000 1.275 57 F CB -0.112 38.919 39.000 0.052 0.000 1.008 57 F HN 0.147 nan 8.300 nan 0.000 0.480 58 R N 0.220 120.833 120.500 0.189 0.000 2.092 58 R HA -0.134 4.207 4.340 0.001 0.000 0.231 58 R C 2.181 178.433 176.300 -0.080 0.000 1.119 58 R CA 1.379 57.448 56.100 -0.051 0.000 0.970 58 R CB -0.200 29.666 30.300 -0.723 0.000 0.864 58 R HN 0.248 nan 8.270 nan 0.000 0.440 59 E N 0.172 120.340 120.200 -0.053 0.000 2.051 59 E HA -0.179 4.172 4.350 0.001 0.000 0.192 59 E C 1.820 178.389 176.600 -0.053 0.000 0.991 59 E CA 1.464 57.836 56.400 -0.046 0.000 0.799 59 E CB -0.168 29.522 29.700 -0.017 0.000 0.748 59 E HN 0.421 nan 8.360 nan 0.000 0.449 60 A N 0.698 123.489 122.820 -0.049 0.000 1.872 60 A HA -0.132 4.189 4.320 0.001 0.000 0.214 60 A C 1.639 179.052 177.584 -0.285 0.000 1.187 60 A CA 1.484 53.419 52.037 -0.170 0.000 0.614 60 A CB -0.534 18.341 19.000 -0.209 0.000 0.826 60 A HN 0.224 nan 8.150 nan 0.000 0.442 61 H N -1.667 117.213 119.070 -0.317 0.000 2.654 61 H HA 0.445 5.002 4.556 0.001 0.000 0.264 61 H C 1.152 176.531 175.328 0.085 0.000 0.954 61 H CA 0.312 56.217 56.048 -0.239 0.000 1.199 61 H CB 0.313 29.650 29.762 -0.708 0.000 1.446 61 H HN 0.797 nan 8.280 nan 0.000 0.516 62 G N -0.200 108.723 108.800 0.205 0.000 2.498 62 G HA2 -0.215 3.745 3.960 0.001 0.000 0.651 62 G HA3 -0.215 3.745 3.960 0.001 0.000 0.651 62 G C 0.824 175.928 174.900 0.339 0.000 1.284 62 G CA -0.099 45.118 45.100 0.196 0.000 0.950 62 G HN 0.366 nan 8.290 nan 0.000 0.511 63 T N -2.260 112.403 114.554 0.181 0.000 3.086 63 T HA 0.557 4.908 4.350 0.001 0.000 0.250 63 T C 1.478 176.301 174.700 0.205 0.000 1.074 63 T CA 1.473 63.694 62.100 0.202 0.000 0.988 63 T CB 0.480 69.356 68.868 0.014 0.000 0.988 63 T HN 2.097 nan 8.240 nan 0.000 0.530 64 A N 1.269 124.053 122.820 -0.061 0.000 3.077 64 A HA 0.591 4.912 4.320 0.001 0.000 0.255 64 A C -0.902 176.262 177.584 -0.699 0.000 1.728 64 A CA -0.515 51.322 52.037 -0.334 0.000 1.383 64 A CB -1.100 17.678 19.000 -0.371 0.000 1.097 64 A HN 0.615 nan 8.150 nan 0.000 0.634 65 Y N -1.828 118.488 120.300 0.026 0.000 2.592 65 Y HA 0.525 5.076 4.550 0.002 0.000 0.334 65 Y C -0.073 175.689 175.900 -0.230 0.000 1.136 65 Y CA -1.250 56.725 58.100 -0.208 0.000 1.042 65 Y CB 1.367 39.485 38.460 -0.571 0.000 1.325 65 Y HN 0.389 nan 8.280 nan 0.000 0.457 66 R N 1.535 122.001 120.500 -0.057 0.000 2.234 66 R HA 0.544 4.885 4.340 0.001 0.000 0.324 66 R C -2.082 174.183 176.300 -0.058 0.000 1.054 66 R CA -0.147 55.972 56.100 0.031 0.000 0.912 66 R CB -0.079 30.260 30.300 0.065 0.000 1.030 66 R HN 0.464 nan 8.270 nan 0.000 0.455 67 F N 4.342 124.477 119.950 0.308 0.000 2.411 67 F HA 0.456 4.984 4.527 0.001 0.000 0.352 67 F C -0.331 175.621 175.800 0.253 0.000 1.123 67 F CA -0.693 57.492 58.000 0.309 0.000 1.044 67 F CB 1.783 41.067 39.000 0.474 0.000 1.135 67 F HN 0.121 nan 8.300 nan 0.000 0.461 68 V N 2.314 122.445 119.914 0.361 0.000 2.709 68 V HA 0.838 4.959 4.120 0.001 0.000 0.308 68 V C -0.052 176.098 176.094 0.093 0.000 1.062 68 V CA -0.836 61.615 62.300 0.251 0.000 0.901 68 V CB 1.925 33.986 31.823 0.396 0.000 1.003 68 V HN 0.871 nan 8.190 nan 0.000 0.425 69 G N 2.588 111.392 108.800 0.006 0.000 2.566 69 G HA2 0.676 4.636 3.960 0.001 0.000 0.311 69 G HA3 0.676 4.636 3.960 0.001 0.000 0.311 69 G C -1.441 173.344 174.900 -0.192 0.000 1.322 69 G CA -0.543 44.501 45.100 -0.094 0.000 0.969 69 G HN 0.554 nan 8.290 nan 0.000 0.490 70 V N 1.196 120.952 119.914 -0.262 0.000 2.555 70 V HA 0.750 4.871 4.120 0.001 0.000 0.302 70 V C -0.479 175.520 176.094 -0.158 0.000 1.038 70 V CA -0.704 61.407 62.300 -0.314 0.000 0.887 70 V CB 1.659 33.179 31.823 -0.506 0.000 0.991 70 V HN 0.880 nan 8.190 nan 0.000 0.434 71 E N 2.776 122.909 120.200 -0.111 0.000 2.335 71 E HA 0.431 4.782 4.350 0.001 0.000 0.280 71 E C -0.392 176.204 176.600 -0.007 0.000 0.918 71 E CA -0.511 55.863 56.400 -0.044 0.000 0.765 71 E CB 1.989 31.656 29.700 -0.056 0.000 1.218 71 E HN 0.493 nan 8.360 nan 0.000 0.425 72 I N 1.569 122.162 120.570 0.037 0.000 2.867 72 I HA 0.147 4.318 4.170 0.001 0.000 0.265 72 I C -0.020 176.123 176.117 0.044 0.000 1.162 72 I CA 0.297 61.634 61.300 0.062 0.000 1.471 72 I CB 0.514 38.583 38.000 0.115 0.000 1.123 72 I HN 0.490 nan 8.210 nan 0.000 0.440 73 D N 0.951 121.368 120.400 0.029 0.000 2.280 73 D HA 0.158 4.799 4.640 0.001 0.000 0.243 73 D C -1.862 174.444 176.300 0.010 0.000 1.129 73 D CA -2.448 51.565 54.000 0.022 0.000 0.848 73 D CB 1.731 42.540 40.800 0.015 0.000 1.107 73 D HN 0.004 nan 8.370 nan 0.000 0.471 74 P HA -0.035 nan 4.420 nan 0.000 0.223 74 P C 0.819 178.120 177.300 0.002 0.000 1.151 74 P CA 0.871 63.974 63.100 0.006 0.000 0.787 74 P CB 0.336 32.042 31.700 0.011 0.000 0.788 75 K N -0.520 119.882 120.400 0.003 0.000 2.217 75 K HA 0.060 4.381 4.320 0.001 0.000 0.202 75 K C 1.883 178.481 176.600 -0.002 0.000 1.051 75 K CA 1.289 57.576 56.287 -0.000 0.000 0.952 75 K CB -0.249 32.251 32.500 0.001 0.000 0.736 75 K HN 0.090 nan 8.250 nan 0.000 0.453 76 A N 0.919 123.738 122.820 -0.001 0.000 2.115 76 A HA 0.066 4.387 4.320 0.001 0.000 0.211 76 A C 0.758 178.344 177.584 0.003 0.000 1.169 76 A CA -0.233 51.806 52.037 0.004 0.000 0.787 76 A CB 0.092 19.093 19.000 0.002 0.000 0.858 76 A HN 0.183 nan 8.150 nan 0.000 0.474 77 L N 1.460 122.676 121.223 -0.011 0.000 2.565 77 L HA 0.332 4.673 4.340 0.001 0.000 0.275 77 L C -1.052 175.804 176.870 -0.024 0.000 1.137 77 L CA 0.478 55.303 54.840 -0.025 0.000 0.915 77 L CB -0.142 41.897 42.059 -0.034 0.000 1.232 77 L HN 0.144 nan 8.230 nan 0.000 0.473 78 D N 4.694 125.081 120.400 -0.021 0.000 2.714 78 D HA 0.260 4.900 4.640 0.001 0.000 0.264 78 D C -0.823 175.439 176.300 -0.062 0.000 1.231 78 D CA -0.215 53.768 54.000 -0.028 0.000 0.802 78 D CB 0.224 41.022 40.800 -0.004 0.000 1.319 78 D HN 0.430 nan 8.370 nan 0.000 0.528 79 L N 1.414 122.565 121.223 -0.119 0.000 2.421 79 L HA 0.548 4.888 4.340 0.001 0.000 0.263 79 L C -1.635 175.042 176.870 -0.321 0.000 1.122 79 L CA -1.728 52.977 54.840 -0.225 0.000 0.804 79 L CB 0.588 42.513 42.059 -0.224 0.000 1.150 79 L HN 0.116 nan 8.230 nan 0.000 0.457 80 P HA 0.116 nan 4.420 nan 0.000 0.269 80 P C -2.174 174.732 177.300 -0.657 0.000 1.215 80 P CA -1.055 61.593 63.100 -0.753 0.000 0.780 80 P CB -0.002 30.747 31.700 -1.585 0.000 0.898 81 P HA -0.106 nan 4.420 nan 0.000 0.228 81 P C 0.778 178.059 177.300 -0.033 0.000 1.151 81 P CA 1.072 64.087 63.100 -0.141 0.000 0.770 81 P CB -0.325 31.359 31.700 -0.027 0.000 0.786 82 W N -1.449 119.877 121.300 0.043 0.000 3.180 82 W HA 0.553 5.214 4.660 0.001 0.000 0.254 82 W C -0.109 176.486 176.519 0.128 0.000 1.318 82 W CA -0.322 57.067 57.345 0.074 0.000 1.608 82 W CB -0.515 28.972 29.460 0.046 0.000 1.124 82 W HN -0.127 nan 8.180 nan 0.000 0.694 83 A N 1.511 124.351 122.820 0.033 0.000 2.355 83 A HA 0.392 4.712 4.320 0.001 0.000 0.324 83 A C -0.651 176.978 177.584 0.074 0.000 1.117 83 A CA -0.684 51.428 52.037 0.126 0.000 0.785 83 A CB 1.430 20.357 19.000 -0.122 0.000 1.254 83 A HN 0.187 nan 8.150 nan 0.000 0.453 84 E N 1.734 122.024 120.200 0.150 0.000 2.052 84 E HA 0.390 4.741 4.350 0.001 0.000 0.283 84 E C 0.197 176.827 176.600 0.050 0.000 1.071 84 E CA -0.289 56.175 56.400 0.107 0.000 0.851 84 E CB 0.562 30.358 29.700 0.160 0.000 1.066 84 E HN 0.753 nan 8.360 nan 0.000 0.396 85 G N 5.003 113.803 108.800 -0.001 0.000 2.333 85 G HA2 0.422 4.383 3.960 0.001 0.000 0.290 85 G HA3 0.422 4.383 3.960 0.001 0.000 0.290 85 G C -0.367 174.509 174.900 -0.040 0.000 1.150 85 G CA -0.436 44.640 45.100 -0.040 0.000 0.895 85 G HN 0.535 nan 8.290 nan 0.000 0.444 86 I N 2.081 122.593 120.570 -0.097 0.000 2.406 86 I HA 0.240 4.411 4.170 0.001 0.000 0.290 86 I C -0.070 175.964 176.117 -0.138 0.000 0.999 86 I CA -0.558 60.666 61.300 -0.126 0.000 1.124 86 I CB 2.222 40.067 38.000 -0.257 0.000 1.289 86 I HN 0.180 nan 8.210 nan 0.000 0.441 87 L N 6.848 128.029 121.223 -0.070 0.000 2.295 87 L HA 0.719 5.060 4.340 0.001 0.000 0.288 87 L C 0.037 176.890 176.870 -0.028 0.000 1.079 87 L CA 0.051 54.867 54.840 -0.040 0.000 0.830 87 L CB 0.493 42.548 42.059 -0.006 0.000 1.200 87 L HN 0.818 nan 8.230 nan 0.000 0.438 88 A N 2.795 125.594 122.820 -0.035 0.000 2.597 88 A HA 0.308 4.629 4.320 0.001 0.000 0.292 88 A C -1.576 176.054 177.584 0.077 0.000 1.057 88 A CA -0.744 51.303 52.037 0.016 0.000 0.674 88 A CB 1.294 20.271 19.000 -0.039 0.000 1.278 88 A HN 0.473 nan 8.150 nan 0.000 0.416 89 D N 0.894 121.383 120.400 0.149 0.000 2.338 89 D HA 0.214 4.855 4.640 0.001 0.000 0.255 89 D C 0.838 177.285 176.300 0.245 0.000 1.237 89 D CA -0.175 53.955 54.000 0.217 0.000 0.883 89 D CB 0.244 41.189 40.800 0.240 0.000 1.087 89 D HN 0.435 nan 8.370 nan 0.000 0.485 90 F N 4.526 124.524 119.950 0.080 0.000 2.161 90 F HA -0.169 4.359 4.527 0.001 0.000 0.300 90 F C 1.627 177.473 175.800 0.077 0.000 1.089 90 F CA 1.272 59.312 58.000 0.067 0.000 1.282 90 F CB 0.001 38.965 39.000 -0.059 0.000 1.010 90 F HN 0.437 nan 8.300 nan 0.000 0.485 91 L N -0.247 120.901 121.223 -0.124 0.000 2.201 91 L HA -0.155 4.186 4.340 0.001 0.000 0.212 91 L C 1.692 178.627 176.870 0.107 0.000 1.105 91 L CA 0.904 55.714 54.840 -0.050 0.000 0.775 91 L CB -0.478 41.590 42.059 0.016 0.000 0.913 91 L HN 0.242 nan 8.230 nan 0.000 0.440 92 L N -2.603 118.699 121.223 0.132 0.000 2.766 92 L HA 0.124 4.465 4.340 0.001 0.000 0.242 92 L C 0.246 177.168 176.870 0.086 0.000 1.136 92 L CA -0.599 54.290 54.840 0.082 0.000 0.933 92 L CB 0.096 42.224 42.059 0.115 0.000 1.241 92 L HN 0.209 nan 8.230 nan 0.000 0.522 93 W N 2.974 124.213 121.300 -0.102 0.000 2.253 93 W HA 0.183 4.844 4.660 0.001 0.000 0.322 93 W C 0.064 176.534 176.519 -0.081 0.000 1.342 93 W CA -0.090 57.215 57.345 -0.066 0.000 1.218 93 W CB 0.656 30.098 29.460 -0.029 0.000 1.205 93 W HN -0.083 nan 8.180 nan 0.000 0.551 94 E N 8.087 127.994 120.200 -0.488 0.000 2.346 94 E HA 0.205 4.555 4.350 0.001 0.000 0.239 94 E C -2.061 174.140 176.600 -0.665 0.000 0.943 94 E CA -1.640 54.432 56.400 -0.545 0.000 0.751 94 E CB 0.612 30.164 29.700 -0.248 0.000 1.241 94 E HN 0.374 nan 8.360 nan 0.000 0.423 95 P HA 0.101 nan 4.420 nan 0.000 0.272 95 P C 1.007 178.152 177.300 -0.259 0.000 1.230 95 P CA -0.235 62.534 63.100 -0.552 0.000 0.788 95 P CB 1.050 32.416 31.700 -0.556 0.000 0.949 96 G N 0.420 109.143 108.800 -0.128 0.000 2.422 96 G HA2 -0.122 3.839 3.960 0.001 0.000 0.218 96 G HA3 -0.122 3.839 3.960 0.001 0.000 0.218 96 G C 0.465 175.295 174.900 -0.116 0.000 1.140 96 G CA 0.484 45.526 45.100 -0.097 0.000 0.775 96 G HN 0.688 nan 8.290 nan 0.000 0.545 97 E N -0.632 119.475 120.200 -0.153 0.000 2.314 97 E HA 0.584 4.934 4.350 0.001 0.000 0.272 97 E C -0.201 176.242 176.600 -0.262 0.000 0.884 97 E CA -0.871 55.418 56.400 -0.185 0.000 0.753 97 E CB 1.957 31.541 29.700 -0.194 0.000 1.213 97 E HN 0.127 nan 8.360 nan 0.000 0.432 98 A N 2.615 125.332 122.820 -0.172 0.000 2.325 98 A HA 0.469 4.789 4.320 0.001 0.000 0.260 98 A C -0.824 176.628 177.584 -0.220 0.000 1.133 98 A CA 0.138 52.133 52.037 -0.070 0.000 0.801 98 A CB 0.169 19.174 19.000 0.007 0.000 1.092 98 A HN 0.489 nan 8.150 nan 0.000 0.504 99 F N -1.486 118.482 119.950 0.029 0.000 2.561 99 F HA 0.322 4.850 4.527 0.002 0.000 0.321 99 F C 1.000 176.809 175.800 0.016 0.000 1.065 99 F CA -0.513 57.509 58.000 0.036 0.000 0.934 99 F CB 2.077 41.119 39.000 0.070 0.000 1.215 99 F HN 0.671 nan 8.300 nan 0.000 0.471 100 D N 0.853 121.358 120.400 0.175 0.000 2.183 100 D HA 0.022 4.663 4.640 0.001 0.000 0.205 100 D C -0.155 176.185 176.300 0.067 0.000 0.962 100 D CA 1.320 55.375 54.000 0.091 0.000 0.849 100 D CB 0.617 41.453 40.800 0.060 0.000 0.978 100 D HN 0.157 nan 8.370 nan 0.000 0.488 101 L N 0.646 121.901 121.223 0.054 0.000 2.464 101 L HA 0.427 4.767 4.340 0.001 0.000 0.266 101 L C -1.746 175.074 176.870 -0.084 0.000 0.965 101 L CA -0.465 54.334 54.840 -0.068 0.000 0.833 101 L CB 2.257 44.171 42.059 -0.242 0.000 1.296 101 L HN -0.226 nan 8.230 nan 0.000 0.405 102 I N 6.505 127.010 120.570 -0.109 0.000 2.466 102 I HA 0.587 4.758 4.170 0.001 0.000 0.289 102 I C -1.277 174.756 176.117 -0.140 0.000 1.026 102 I CA -0.787 60.429 61.300 -0.140 0.000 1.078 102 I CB 1.830 39.759 38.000 -0.118 0.000 1.249 102 I HN 0.480 nan 8.210 nan 0.000 0.429 103 L N 4.008 125.171 121.223 -0.099 0.000 2.465 103 L HA 1.123 5.464 4.340 0.001 0.000 0.257 103 L C -0.285 176.394 176.870 -0.318 0.000 0.988 103 L CA -0.955 53.814 54.840 -0.117 0.000 0.827 103 L CB 0.962 42.897 42.059 -0.208 0.000 1.397 103 L HN 0.759 nan 8.230 nan 0.000 0.410 104 G N 0.691 109.058 108.800 -0.721 0.000 2.345 104 G HA2 0.164 4.125 3.960 0.001 0.000 0.285 104 G HA3 0.164 4.125 3.960 0.001 0.000 0.285 104 G C -2.071 172.214 174.900 -1.025 0.000 1.297 104 G CA -0.534 43.822 45.100 -1.241 0.000 0.875 104 G HN 1.009 nan 8.290 nan 0.000 0.506 105 N N 1.381 119.674 118.700 -0.679 0.000 2.531 105 N HA 0.571 5.312 4.740 0.001 0.000 0.268 105 N C -2.602 172.511 175.510 -0.661 0.000 1.023 105 N CA -1.495 51.269 53.050 -0.475 0.000 0.896 105 N CB 2.371 40.808 38.487 -0.083 0.000 1.233 105 N HN 0.322 nan 8.380 nan 0.000 0.512 106 P HA 0.253 nan 4.420 nan 0.000 0.274 106 P C -2.802 174.026 177.300 -0.788 0.000 1.246 106 P CA -1.217 61.293 63.100 -0.983 0.000 0.795 106 P CB 0.095 31.283 31.700 -0.854 0.000 1.006 107 P HA 0.094 nan 4.420 nan 0.000 0.271 107 P C -0.979 176.191 177.300 -0.217 0.000 1.216 107 P CA 0.379 63.145 63.100 -0.556 0.000 0.776 107 P CB 0.166 31.615 31.700 -0.417 0.000 0.881 108 Y N 0.740 120.905 120.300 -0.225 0.000 2.419 108 Y HA 0.727 5.277 4.550 0.001 0.000 0.328 108 Y C 1.272 177.137 175.900 -0.057 0.000 1.162 108 Y CA -1.078 56.960 58.100 -0.102 0.000 1.174 108 Y CB 1.355 39.716 38.460 -0.166 0.000 1.228 108 Y HN 0.791 nan 8.280 nan 0.000 0.473 109 G N 1.131 110.036 108.800 0.174 0.000 2.307 109 G HA2 0.149 4.110 3.960 0.001 0.000 0.348 109 G HA3 0.149 4.110 3.960 0.001 0.000 0.348 109 G C -1.687 173.240 174.900 0.045 0.000 1.603 109 G CA -1.228 43.929 45.100 0.095 0.000 0.961 109 G HN 0.539 nan 8.290 nan 0.000 0.686 110 I N 1.046 121.642 120.570 0.043 0.000 2.441 110 I HA 0.278 4.448 4.170 0.001 0.000 0.287 110 I C 0.849 176.979 176.117 0.022 0.000 1.049 110 I CA -0.832 60.437 61.300 -0.051 0.000 1.381 110 I CB 1.494 39.367 38.000 -0.211 0.000 1.409 110 I HN 0.263 nan 8.210 nan 0.000 0.523 111 V N 6.275 126.235 119.914 0.076 0.000 2.439 111 V HA 0.621 4.742 4.120 0.001 0.000 0.271 111 V C 0.729 176.908 176.094 0.141 0.000 1.040 111 V CA 0.176 62.592 62.300 0.193 0.000 1.002 111 V CB 0.039 32.089 31.823 0.379 0.000 1.000 111 V HN 1.055 nan 8.190 nan 0.000 0.477 112 G N 3.585 112.531 108.800 0.243 0.000 2.428 112 G HA2 0.343 4.304 3.960 0.001 0.000 0.304 112 G HA3 0.343 4.304 3.960 0.001 0.000 0.304 112 G C -1.066 174.087 174.900 0.421 0.000 1.303 112 G CA -0.750 44.547 45.100 0.328 0.000 0.825 112 G HN 0.573 nan 8.290 nan 0.000 0.484 113 E N 0.204 120.629 120.200 0.375 0.000 2.415 113 E HA 0.341 4.692 4.350 0.001 0.000 0.263 113 E C 1.612 178.295 176.600 0.138 0.000 0.995 113 E CA 0.395 56.912 56.400 0.195 0.000 0.915 113 E CB 1.112 30.892 29.700 0.133 0.000 0.951 113 E HN 0.671 nan 8.360 nan 0.000 0.449 114 A N 3.587 126.365 122.820 -0.069 0.000 2.032 114 A HA -0.230 4.090 4.320 0.001 0.000 0.221 114 A C 2.100 179.650 177.584 -0.057 0.000 1.165 114 A CA 1.966 53.860 52.037 -0.238 0.000 0.645 114 A CB -0.630 17.969 19.000 -0.669 0.000 0.807 114 A HN 0.735 nan 8.150 nan 0.000 0.453 115 S N -1.371 114.293 115.700 -0.061 0.000 2.442 115 S HA -0.095 4.376 4.470 0.001 0.000 0.236 115 S C 1.547 176.087 174.600 -0.100 0.000 1.007 115 S CA 1.702 59.866 58.200 -0.060 0.000 0.965 115 S CB -0.024 63.148 63.200 -0.048 0.000 0.773 115 S HN 0.499 nan 8.310 nan 0.000 0.504 116 K N -0.776 119.519 120.400 -0.176 0.000 2.548 116 K HA 0.390 4.711 4.320 0.001 0.000 0.209 116 K C -0.912 175.313 176.600 -0.624 0.000 1.420 116 K CA -0.056 55.953 56.287 -0.462 0.000 0.985 116 K CB 0.661 32.739 32.500 -0.703 0.000 1.249 116 K HN 0.488 nan 8.250 nan 0.000 0.557 117 Y N 0.082 120.467 120.300 0.142 0.000 2.499 117 Y HA 0.338 4.889 4.550 0.001 0.000 0.347 117 Y C -1.902 174.117 175.900 0.199 0.000 0.987 117 Y CA -2.333 55.855 58.100 0.146 0.000 1.044 117 Y CB 2.103 40.644 38.460 0.135 0.000 1.245 117 Y HN -0.139 nan 8.280 nan 0.000 0.461 118 P HA 0.008 nan 4.420 nan 0.000 0.230 118 P C -0.026 176.988 177.300 -0.476 0.000 1.168 118 P CA 1.124 64.205 63.100 -0.032 0.000 0.793 118 P CB 0.974 32.680 31.700 0.010 0.000 0.851 119 I N 1.557 121.974 120.570 -0.254 0.000 2.312 119 I HA 0.213 4.384 4.170 0.001 0.000 0.290 119 I C 0.025 176.064 176.117 -0.131 0.000 1.008 119 I CA -1.081 60.079 61.300 -0.233 0.000 1.226 119 I CB -0.236 37.773 38.000 0.015 0.000 1.371 119 I HN 0.014 nan 8.210 nan 0.000 0.468 120 H N 5.356 124.479 119.070 0.088 0.000 2.685 120 H HA 0.635 5.192 4.556 0.001 0.000 0.307 120 H C -0.068 175.256 175.328 -0.007 0.000 1.017 120 H CA -0.824 55.248 56.048 0.040 0.000 1.237 120 H CB 1.820 31.583 29.762 0.001 0.000 1.409 120 H HN 0.464 nan 8.280 nan 0.000 0.488 121 V N -0.205 119.768 119.914 0.098 0.000 3.141 121 V HA 0.560 4.681 4.120 0.001 0.000 0.312 121 V C -0.403 175.654 176.094 -0.062 0.000 1.157 121 V CA -1.336 60.964 62.300 -0.001 0.000 1.041 121 V CB 1.362 33.247 31.823 0.104 0.000 1.071 121 V HN 0.455 nan 8.190 nan 0.000 0.441 122 F N 0.904 120.878 119.950 0.041 0.000 2.506 122 F HA 0.325 4.852 4.527 0.002 0.000 0.351 122 F C 1.906 177.701 175.800 -0.009 0.000 1.136 122 F CA 0.471 58.479 58.000 0.013 0.000 1.298 122 F CB 0.656 39.649 39.000 -0.011 0.000 1.145 122 F HN 0.750 nan 8.300 nan 0.000 0.593 123 K N 2.067 122.585 120.400 0.197 0.000 2.160 123 K HA -0.249 4.072 4.320 0.001 0.000 0.206 123 K C 2.022 178.636 176.600 0.024 0.000 1.047 123 K CA 1.355 57.695 56.287 0.088 0.000 0.930 123 K CB -0.229 32.315 32.500 0.074 0.000 0.720 123 K HN 0.808 nan 8.250 nan 0.000 0.450 124 A N 0.506 123.350 122.820 0.040 0.000 1.908 124 A HA -0.137 4.183 4.320 0.001 0.000 0.218 124 A C 2.209 179.729 177.584 -0.107 0.000 1.181 124 A CA 1.767 53.778 52.037 -0.044 0.000 0.627 124 A CB -0.582 18.377 19.000 -0.068 0.000 0.818 124 A HN 0.174 nan 8.150 nan 0.000 0.445 125 V N 0.114 119.975 119.914 -0.088 0.000 2.358 125 V HA -0.250 3.871 4.120 0.001 0.000 0.246 125 V C 2.512 178.290 176.094 -0.526 0.000 1.047 125 V CA 2.291 64.415 62.300 -0.293 0.000 1.035 125 V CB -0.660 31.034 31.823 -0.215 0.000 0.658 125 V HN 0.662 nan 8.190 nan 0.000 0.452 126 K N -0.055 120.180 120.400 -0.275 0.000 2.063 126 K HA -0.252 4.069 4.320 0.001 0.000 0.208 126 K C 1.847 178.261 176.600 -0.310 0.000 1.048 126 K CA 1.947 58.110 56.287 -0.206 0.000 0.928 126 K CB -0.242 32.251 32.500 -0.013 0.000 0.713 126 K HN 0.448 nan 8.250 nan 0.000 0.442 127 D N 0.864 121.121 120.400 -0.237 0.000 2.149 127 D HA -0.165 4.476 4.640 0.001 0.000 0.198 127 D C 1.928 178.075 176.300 -0.256 0.000 0.990 127 D CA 0.949 54.812 54.000 -0.227 0.000 0.839 127 D CB -0.102 40.607 40.800 -0.152 0.000 0.948 127 D HN 0.255 nan 8.370 nan 0.000 0.460 128 L N -0.169 120.887 121.223 -0.279 0.000 2.141 128 L HA -0.188 4.152 4.340 0.001 0.000 0.209 128 L C 2.348 179.091 176.870 -0.210 0.000 1.094 128 L CA 0.776 55.462 54.840 -0.256 0.000 0.763 128 L CB -0.307 41.590 42.059 -0.270 0.000 0.908 128 L HN 0.055 nan 8.230 nan 0.000 0.437 129 Y N 0.465 120.613 120.300 -0.252 0.000 2.163 129 Y HA -0.181 4.370 4.550 0.001 0.000 0.288 129 Y C 2.546 178.205 175.900 -0.401 0.000 1.136 129 Y CA 0.714 58.678 58.100 -0.226 0.000 1.147 129 Y CB -0.683 37.635 38.460 -0.238 0.000 0.987 129 Y HN 0.068 nan 8.280 nan 0.000 0.509 130 K N 0.305 120.374 120.400 -0.553 0.000 2.097 130 K HA -0.203 4.118 4.320 0.001 0.000 0.206 130 K C 2.173 178.606 176.600 -0.278 0.000 1.049 130 K CA 1.501 57.442 56.287 -0.577 0.000 0.933 130 K CB -0.133 31.994 32.500 -0.621 0.000 0.717 130 K HN 0.175 nan 8.250 nan 0.000 0.442 131 K N 0.878 121.121 120.400 -0.262 0.000 2.057 131 K HA -0.117 4.204 4.320 0.001 0.000 0.207 131 K C 1.987 178.429 176.600 -0.265 0.000 1.049 131 K CA 1.371 57.526 56.287 -0.219 0.000 0.931 131 K CB -0.052 32.328 32.500 -0.200 0.000 0.714 131 K HN 0.129 nan 8.250 nan 0.000 0.440 132 A N 0.213 122.788 122.820 -0.410 0.000 2.072 132 A HA 0.093 4.414 4.320 0.001 0.000 0.216 132 A C 0.079 177.198 177.584 -0.774 0.000 1.156 132 A CA 0.385 52.010 52.037 -0.688 0.000 0.701 132 A CB 0.024 18.400 19.000 -1.040 0.000 0.816 132 A HN 0.210 nan 8.150 nan 0.000 0.458 133 F N 0.085 120.003 119.950 -0.054 0.000 2.403 133 F HA 0.307 4.835 4.527 0.002 0.000 0.355 133 F C 1.461 177.209 175.800 -0.087 0.000 1.119 133 F CA -0.719 57.253 58.000 -0.047 0.000 1.007 133 F CB 1.444 40.507 39.000 0.105 0.000 1.194 133 F HN 0.113 nan 8.300 nan 0.000 0.443 134 S N -0.551 115.153 115.700 0.007 0.000 2.481 134 S HA -0.147 4.324 4.470 0.001 0.000 0.231 134 S C 1.747 176.284 174.600 -0.106 0.000 0.996 134 S CA 1.210 59.377 58.200 -0.055 0.000 0.942 134 S CB -0.741 62.427 63.200 -0.054 0.000 0.768 134 S HN 0.705 nan 8.310 nan 0.000 0.520 135 T N -3.442 111.005 114.554 -0.178 0.000 3.067 135 T HA 0.039 4.390 4.350 0.001 0.000 0.257 135 T C 0.540 174.898 174.700 -0.570 0.000 1.105 135 T CA -0.443 61.497 62.100 -0.266 0.000 1.104 135 T CB -0.602 68.121 68.868 -0.242 0.000 0.925 135 T HN 0.523 nan 8.240 nan 0.000 0.498 136 W N 3.447 124.297 121.300 -0.750 0.000 2.505 136 W HA 0.327 4.988 4.660 0.002 0.000 0.332 136 W C -0.078 176.013 176.519 -0.713 0.000 1.434 136 W CA 0.149 56.843 57.345 -1.085 0.000 1.320 136 W CB -0.081 29.130 29.460 -0.414 0.000 1.363 136 W HN 0.246 nan 8.180 nan 0.000 0.565 137 K N 4.949 124.860 120.400 -0.816 0.000 2.501 137 K HA 0.481 4.802 4.320 0.001 0.000 0.252 137 K C 0.528 176.965 176.600 -0.271 0.000 0.934 137 K CA 0.188 56.277 56.287 -0.330 0.000 0.797 137 K CB 1.157 33.495 32.500 -0.272 0.000 1.270 137 K HN 0.671 nan 8.250 nan 0.000 0.431 138 G N 3.206 111.940 108.800 -0.109 0.000 2.582 138 G HA2 -0.366 3.595 3.960 0.001 0.000 0.288 138 G HA3 -0.366 3.595 3.960 0.001 0.000 0.288 138 G C 0.509 175.378 174.900 -0.053 0.000 1.247 138 G CA 0.486 45.538 45.100 -0.081 0.000 0.972 138 G HN 0.724 nan 8.290 nan 0.000 0.557 139 K N -1.285 119.052 120.400 -0.106 0.000 2.148 139 K HA 0.081 4.402 4.320 0.001 0.000 0.204 139 K C 1.273 177.734 176.600 -0.230 0.000 1.050 139 K CA 1.163 57.370 56.287 -0.133 0.000 0.942 139 K CB -0.099 32.266 32.500 -0.224 0.000 0.724 139 K HN 0.629 nan 8.250 nan 0.000 0.446 140 Y N -0.008 119.930 120.300 -0.603 0.000 2.855 140 Y HA -0.371 4.180 4.550 0.002 0.000 0.414 140 Y C -0.201 175.304 175.900 -0.658 0.000 1.503 140 Y CA 0.436 57.984 58.100 -0.920 0.000 1.572 140 Y CB -0.502 36.986 38.460 -1.620 0.000 1.659 140 Y HN 0.269 nan 8.280 nan 0.000 0.429 141 N N 0.168 118.209 118.700 -1.099 0.000 2.405 141 N HA 0.252 4.993 4.740 0.001 0.000 0.274 141 N C 0.064 175.212 175.510 -0.603 0.000 1.170 141 N CA -0.227 52.441 53.050 -0.637 0.000 0.848 141 N CB 1.482 39.689 38.487 -0.467 0.000 1.629 141 N HN 0.536 nan 8.380 nan 0.000 0.481 142 L N 2.850 123.949 121.223 -0.206 0.000 2.089 142 L HA -0.185 4.156 4.340 0.001 0.000 0.213 142 L C 2.230 179.111 176.870 0.018 0.000 1.079 142 L CA 1.958 56.785 54.840 -0.022 0.000 0.758 142 L CB -1.237 40.866 42.059 0.073 0.000 0.891 142 L HN 0.755 nan 8.230 nan 0.000 0.433 143 Y N -1.811 118.429 120.300 -0.099 0.000 2.352 143 Y HA 0.072 4.623 4.550 0.002 0.000 0.292 143 Y C 2.113 177.941 175.900 -0.121 0.000 1.136 143 Y CA 1.018 59.061 58.100 -0.094 0.000 1.227 143 Y CB -1.298 37.077 38.460 -0.143 0.000 0.991 143 Y HN 0.012 nan 8.280 nan 0.000 0.545 144 G N 0.608 108.929 108.800 -0.798 0.000 2.394 144 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 144 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 144 G C 1.837 176.566 174.900 -0.285 0.000 1.165 144 G CA 0.882 45.581 45.100 -0.669 0.000 0.784 144 G HN 0.637 nan 8.290 nan 0.000 0.535 145 A N 0.476 123.115 122.820 -0.301 0.000 1.908 145 A HA 0.062 4.383 4.320 0.001 0.000 0.218 145 A C 2.163 179.430 177.584 -0.527 0.000 1.181 145 A CA 1.383 53.083 52.037 -0.562 0.000 0.627 145 A CB -0.589 18.148 19.000 -0.439 0.000 0.818 145 A HN 0.282 nan 8.150 nan 0.000 0.445 146 F N -0.223 119.615 119.950 -0.187 0.000 2.146 146 F HA -0.085 4.443 4.527 0.002 0.000 0.298 146 F C 2.153 178.109 175.800 0.260 0.000 1.096 146 F CA 1.314 59.412 58.000 0.162 0.000 1.275 146 F CB -0.338 38.757 39.000 0.158 0.000 1.008 146 F HN 0.105 nan 8.300 nan 0.000 0.480 147 L N -0.342 121.050 121.223 0.281 0.000 2.017 147 L HA -0.242 4.098 4.340 0.001 0.000 0.208 147 L C 2.535 179.383 176.870 -0.037 0.000 1.073 147 L CA 1.727 56.615 54.840 0.080 0.000 0.745 147 L CB -0.566 41.461 42.059 -0.053 0.000 0.894 147 L HN 0.179 nan 8.230 nan 0.000 0.432 148 E N 0.172 120.303 120.200 -0.114 0.000 2.047 148 E HA -0.293 4.058 4.350 0.001 0.000 0.191 148 E C 2.145 178.764 176.600 0.031 0.000 0.987 148 E CA 1.263 57.573 56.400 -0.150 0.000 0.799 148 E CB 0.161 29.655 29.700 -0.342 0.000 0.752 148 E HN 0.114 nan 8.360 nan 0.000 0.449 149 K N 0.892 121.301 120.400 0.015 0.000 2.032 149 K HA -0.132 4.189 4.320 0.001 0.000 0.209 149 K C 1.819 178.505 176.600 0.145 0.000 1.048 149 K CA 1.693 58.054 56.287 0.122 0.000 0.927 149 K CB -0.681 31.775 32.500 -0.074 0.000 0.712 149 K HN 0.179 nan 8.250 nan 0.000 0.441 150 A N 0.042 123.014 122.820 0.253 0.000 1.908 150 A HA -0.147 4.174 4.320 0.001 0.000 0.218 150 A C 2.364 179.990 177.584 0.070 0.000 1.181 150 A CA 2.051 54.206 52.037 0.198 0.000 0.627 150 A CB -0.890 18.069 19.000 -0.068 0.000 0.818 150 A HN 0.144 nan 8.150 nan 0.000 0.445 151 V N 0.022 119.946 119.914 0.017 0.000 2.407 151 V HA -0.263 3.858 4.120 0.001 0.000 0.248 151 V C 2.582 178.752 176.094 0.127 0.000 1.055 151 V CA 2.223 64.527 62.300 0.008 0.000 1.049 151 V CB -0.802 30.969 31.823 -0.086 0.000 0.662 151 V HN 0.535 nan 8.190 nan 0.000 0.455 152 R N -0.435 120.164 120.500 0.165 0.000 2.189 152 R HA 0.073 4.414 4.340 0.001 0.000 0.218 152 R C 1.813 178.170 176.300 0.094 0.000 1.074 152 R CA 0.821 57.006 56.100 0.141 0.000 0.991 152 R CB -0.146 30.234 30.300 0.133 0.000 0.883 152 R HN 0.429 nan 8.270 nan 0.000 0.457 153 L N 0.857 122.149 121.223 0.113 0.000 2.611 153 L HA 0.131 4.472 4.340 0.001 0.000 0.229 153 L C -0.063 176.939 176.870 0.220 0.000 1.137 153 L CA -0.320 54.612 54.840 0.152 0.000 0.901 153 L CB 0.106 42.282 42.059 0.194 0.000 1.098 153 L HN 0.034 nan 8.230 nan 0.000 0.456 154 L N 0.935 122.260 121.223 0.170 0.000 2.326 154 L HA 0.219 4.560 4.340 0.001 0.000 0.278 154 L C 0.524 177.466 176.870 0.121 0.000 1.092 154 L CA 0.097 55.039 54.840 0.169 0.000 0.810 154 L CB 0.889 43.055 42.059 0.178 0.000 1.153 154 L HN -0.011 nan 8.230 nan 0.000 0.439 155 K N 4.449 124.908 120.400 0.099 0.000 2.276 155 K HA 0.157 4.478 4.320 0.001 0.000 0.259 155 K C -2.201 174.429 176.600 0.050 0.000 1.001 155 K CA -1.346 54.972 56.287 0.051 0.000 0.927 155 K CB 0.036 32.553 32.500 0.028 0.000 0.969 155 K HN 0.394 nan 8.250 nan 0.000 0.490 156 P HA -0.079 nan 4.420 nan 0.000 0.262 156 P C 0.341 177.647 177.300 0.010 0.000 1.182 156 P CA 0.989 64.100 63.100 0.020 0.000 0.761 156 P CB 0.435 32.141 31.700 0.010 0.000 0.795 157 G N 2.237 111.033 108.800 -0.006 0.000 2.189 157 G HA2 -0.201 3.760 3.960 0.001 0.000 0.267 157 G HA3 -0.201 3.760 3.960 0.001 0.000 0.267 157 G C 0.664 175.560 174.900 -0.005 0.000 0.975 157 G CA -0.080 45.009 45.100 -0.018 0.000 0.644 157 G HN 0.885 nan 8.290 nan 0.000 0.537 158 G N -1.105 107.707 108.800 0.020 0.000 2.527 158 G HA2 0.587 4.548 3.960 0.001 0.000 0.248 158 G HA3 0.587 4.548 3.960 0.001 0.000 0.248 158 G C -0.163 174.758 174.900 0.035 0.000 1.231 158 G CA 0.281 45.406 45.100 0.043 0.000 0.838 158 G HN 0.981 nan 8.290 nan 0.000 0.570 159 V N 1.769 121.701 119.914 0.030 0.000 2.555 159 V HA 0.529 4.649 4.120 0.001 0.000 0.302 159 V C -0.297 175.800 176.094 0.004 0.000 1.038 159 V CA -0.732 61.577 62.300 0.015 0.000 0.887 159 V CB 1.420 33.241 31.823 -0.004 0.000 0.991 159 V HN 0.745 nan 8.190 nan 0.000 0.434 160 L N 5.970 127.206 121.223 0.021 0.000 2.365 160 L HA 0.879 5.220 4.340 0.001 0.000 0.273 160 L C -0.944 175.858 176.870 -0.114 0.000 1.000 160 L CA -0.139 54.633 54.840 -0.113 0.000 0.819 160 L CB 2.101 44.049 42.059 -0.185 0.000 1.284 160 L HN 0.402 nan 8.230 nan 0.000 0.418 161 V N 5.575 125.398 119.914 -0.152 0.000 2.462 161 V HA 0.519 4.640 4.120 0.001 0.000 0.288 161 V C -0.916 175.243 176.094 0.109 0.000 1.020 161 V CA -0.295 61.972 62.300 -0.054 0.000 0.857 161 V CB 0.975 32.752 31.823 -0.076 0.000 1.013 161 V HN 0.570 nan 8.190 nan 0.000 0.431 162 F N 2.797 122.675 119.950 -0.120 0.000 2.561 162 F HA 0.690 5.218 4.527 0.001 0.000 0.321 162 F C 0.035 175.801 175.800 -0.056 0.000 1.065 162 F CA -1.559 56.356 58.000 -0.141 0.000 0.934 162 F CB 2.229 41.166 39.000 -0.105 0.000 1.215 162 F HN 0.249 nan 8.300 nan 0.000 0.471 163 V N 5.183 125.158 119.914 0.102 0.000 2.370 163 V HA 0.816 4.937 4.120 0.001 0.000 0.283 163 V C -1.079 175.081 176.094 0.110 0.000 1.023 163 V CA -0.363 62.026 62.300 0.148 0.000 0.857 163 V CB 1.228 33.195 31.823 0.239 0.000 0.985 163 V HN 0.624 nan 8.190 nan 0.000 0.443 164 V N 4.337 124.234 119.914 -0.028 0.000 3.167 164 V HA 0.791 4.912 4.120 0.001 0.000 0.310 164 V C -2.898 172.800 176.094 -0.659 0.000 1.207 164 V CA -2.780 59.224 62.300 -0.493 0.000 1.059 164 V CB 1.827 33.339 31.823 -0.519 0.000 1.079 164 V HN 0.655 nan 8.190 nan 0.000 0.446 165 P HA 0.274 nan 4.420 nan 0.000 0.268 165 P C 0.391 177.456 177.300 -0.391 0.000 1.208 165 P CA 0.506 63.153 63.100 -0.755 0.000 0.777 165 P CB 0.736 31.903 31.700 -0.889 0.000 0.875 166 A N 1.653 124.328 122.820 -0.242 0.000 2.235 166 A HA -0.059 4.262 4.320 0.001 0.000 0.208 166 A C 1.811 179.144 177.584 -0.418 0.000 1.172 166 A CA 1.402 53.242 52.037 -0.329 0.000 0.786 166 A CB -1.497 17.416 19.000 -0.144 0.000 0.804 166 A HN 0.624 nan 8.150 nan 0.000 0.479 167 T N -2.203 112.226 114.554 -0.207 0.000 2.833 167 T HA -0.212 4.139 4.350 0.001 0.000 0.269 167 T C 1.812 176.414 174.700 -0.164 0.000 1.054 167 T CA 1.229 63.283 62.100 -0.075 0.000 1.135 167 T CB -0.739 68.175 68.868 0.077 0.000 0.869 167 T HN 0.850 nan 8.240 nan 0.000 0.466 168 W N 2.330 123.361 121.300 -0.447 0.000 2.468 168 W HA 0.069 4.730 4.660 0.002 0.000 0.262 168 W C 1.233 177.715 176.519 -0.062 0.000 1.241 168 W CA 0.026 57.095 57.345 -0.460 0.000 1.232 168 W CB -0.975 28.146 29.460 -0.564 0.000 1.124 168 W HN 0.260 nan 8.180 nan 0.000 0.597 169 L N 1.487 122.139 121.223 -0.952 0.000 2.141 169 L HA -0.168 4.173 4.340 0.001 0.000 0.209 169 L C 2.410 179.157 176.870 -0.205 0.000 1.094 169 L CA 1.744 56.087 54.840 -0.828 0.000 0.763 169 L CB -1.003 40.383 42.059 -1.123 0.000 0.908 169 L HN 0.042 nan 8.230 nan 0.000 0.437 170 V N -4.500 115.399 119.914 -0.024 0.000 3.484 170 V HA 0.246 4.367 4.120 0.001 0.000 0.252 170 V C 1.029 177.226 176.094 0.171 0.000 1.282 170 V CA -0.305 62.082 62.300 0.145 0.000 1.104 170 V CB 0.066 32.037 31.823 0.246 0.000 0.868 170 V HN 0.062 nan 8.190 nan 0.000 0.457 171 L N 0.976 122.341 121.223 0.237 0.000 2.399 171 L HA 0.462 4.803 4.340 0.001 0.000 0.266 171 L C 1.733 178.752 176.870 0.247 0.000 1.114 171 L CA -0.398 54.599 54.840 0.261 0.000 0.804 171 L CB 0.859 43.136 42.059 0.364 0.000 1.146 171 L HN 0.067 nan 8.230 nan 0.000 0.451 172 E N 0.826 121.102 120.200 0.127 0.000 2.106 172 E HA -0.178 4.173 4.350 0.001 0.000 0.192 172 E C 1.232 177.829 176.600 -0.005 0.000 0.984 172 E CA 1.126 57.563 56.400 0.062 0.000 0.806 172 E CB 0.062 29.772 29.700 0.017 0.000 0.750 172 E HN 0.612 nan 8.360 nan 0.000 0.458 173 D N -0.541 119.788 120.400 -0.118 0.000 2.311 173 D HA -0.146 4.495 4.640 0.001 0.000 0.212 173 D C 0.768 176.788 176.300 -0.465 0.000 0.972 173 D CA 0.738 54.506 54.000 -0.386 0.000 0.887 173 D CB -0.154 40.241 40.800 -0.675 0.000 0.915 173 D HN 0.188 nan 8.370 nan 0.000 0.497 174 F N -0.925 119.110 119.950 0.141 0.000 2.661 174 F HA 0.424 4.952 4.527 0.001 0.000 0.306 174 F C 1.923 177.838 175.800 0.191 0.000 1.094 174 F CA -0.398 57.724 58.000 0.204 0.000 1.254 174 F CB -0.157 38.993 39.000 0.251 0.000 1.040 174 F HN -0.149 nan 8.300 nan 0.000 0.562 175 A N 0.729 123.680 122.820 0.218 0.000 1.883 175 A HA -0.162 4.159 4.320 0.001 0.000 0.217 175 A C 2.185 179.842 177.584 0.122 0.000 1.186 175 A CA 1.665 53.797 52.037 0.158 0.000 0.624 175 A CB -0.849 18.202 19.000 0.084 0.000 0.822 175 A HN 0.408 nan 8.150 nan 0.000 0.444 176 L N -1.207 120.061 121.223 0.075 0.000 2.093 176 L HA -0.154 4.187 4.340 0.001 0.000 0.208 176 L C 2.561 179.497 176.870 0.110 0.000 1.085 176 L CA 1.093 55.962 54.840 0.048 0.000 0.755 176 L CB -0.539 41.499 42.059 -0.035 0.000 0.904 176 L HN 0.476 nan 8.230 nan 0.000 0.435 177 L N -0.057 121.265 121.223 0.166 0.000 2.046 177 L HA -0.172 4.169 4.340 0.001 0.000 0.208 177 L C 2.723 179.769 176.870 0.293 0.000 1.077 177 L CA 1.664 56.638 54.840 0.222 0.000 0.747 177 L CB -0.470 41.770 42.059 0.302 0.000 0.896 177 L HN 0.071 nan 8.230 nan 0.000 0.432 178 R N -0.378 120.317 120.500 0.326 0.000 2.073 178 R HA -0.152 4.188 4.340 0.001 0.000 0.234 178 R C 2.157 178.413 176.300 -0.073 0.000 1.134 178 R CA 1.790 58.080 56.100 0.316 0.000 0.952 178 R CB -0.391 30.167 30.300 0.429 0.000 0.850 178 R HN 0.513 nan 8.270 nan 0.000 0.433 179 E N -0.083 120.087 120.200 -0.049 0.000 2.118 179 E HA -0.223 4.128 4.350 0.001 0.000 0.195 179 E C 1.664 178.240 176.600 -0.039 0.000 0.992 179 E CA 1.305 57.629 56.400 -0.126 0.000 0.804 179 E CB -0.182 29.496 29.700 -0.037 0.000 0.741 179 E HN 0.255 nan 8.360 nan 0.000 0.458 180 F N 1.264 121.173 119.950 -0.068 0.000 2.084 180 F HA -0.141 4.387 4.527 0.001 0.000 0.296 180 F C 1.858 177.651 175.800 -0.012 0.000 1.111 180 F CA 1.259 59.240 58.000 -0.032 0.000 1.224 180 F CB -0.144 38.845 39.000 -0.018 0.000 0.991 180 F HN -0.108 nan 8.300 nan 0.000 0.471 181 L N 0.284 121.531 121.223 0.040 0.000 2.079 181 L HA -0.203 4.138 4.340 0.001 0.000 0.210 181 L C 2.809 179.799 176.870 0.200 0.000 1.081 181 L CA 1.169 56.032 54.840 0.040 0.000 0.752 181 L CB -1.329 40.888 42.059 0.263 0.000 0.896 181 L HN 0.291 nan 8.230 nan 0.000 0.433 182 A N 1.023 123.815 122.820 -0.047 0.000 1.972 182 A HA -0.200 4.121 4.320 0.001 0.000 0.219 182 A C 2.377 179.947 177.584 -0.023 0.000 1.169 182 A CA 1.770 53.725 52.037 -0.136 0.000 0.635 182 A CB -0.483 18.078 19.000 -0.733 0.000 0.810 182 A HN 0.574 nan 8.150 nan 0.000 0.446 183 R N -1.399 119.056 120.500 -0.075 0.000 2.280 183 R HA 0.155 4.496 4.340 0.001 0.000 0.195 183 R C 0.852 177.120 176.300 -0.054 0.000 0.935 183 R CA 0.805 56.872 56.100 -0.055 0.000 1.033 183 R CB -0.004 30.259 30.300 -0.062 0.000 0.964 183 R HN 0.284 nan 8.270 nan 0.000 0.489 184 E N 0.784 120.939 120.200 -0.075 0.000 2.400 184 E HA 0.183 4.534 4.350 0.001 0.000 0.195 184 E C 0.723 177.430 176.600 0.177 0.000 1.012 184 E CA 0.933 57.317 56.400 -0.027 0.000 0.875 184 E CB 1.229 30.735 29.700 -0.323 0.000 0.859 184 E HN 0.548 nan 8.360 nan 0.000 0.498 185 G N 1.059 109.955 108.800 0.159 0.000 2.498 185 G HA2 0.138 4.099 3.960 0.001 0.000 0.181 185 G HA3 0.138 4.099 3.960 0.001 0.000 0.181 185 G C -1.429 173.418 174.900 -0.088 0.000 1.169 185 G CA -0.517 44.505 45.100 -0.129 0.000 0.992 185 G HN 0.051 nan 8.290 nan 0.000 0.490 186 K N -0.329 119.887 120.400 -0.307 0.000 2.207 186 K HA 0.773 5.094 4.320 0.001 0.000 0.255 186 K C -1.316 175.259 176.600 -0.042 0.000 0.941 186 K CA -0.563 55.676 56.287 -0.079 0.000 0.825 186 K CB 2.128 34.592 32.500 -0.061 0.000 1.119 186 K HN 0.347 nan 8.250 nan 0.000 0.430 187 T N 1.560 116.218 114.554 0.172 0.000 2.812 187 T HA 0.302 4.653 4.350 0.001 0.000 0.282 187 T C -0.905 173.876 174.700 0.134 0.000 0.990 187 T CA -0.778 61.467 62.100 0.241 0.000 0.960 187 T CB 1.456 70.541 68.868 0.361 0.000 0.948 187 T HN 0.560 nan 8.240 nan 0.000 0.438 188 S N 2.209 118.012 115.700 0.172 0.000 2.478 188 S HA 0.607 5.078 4.470 0.001 0.000 0.312 188 S C -0.289 174.376 174.600 0.108 0.000 1.094 188 S CA -0.714 57.563 58.200 0.128 0.000 1.081 188 S CB 1.219 64.511 63.200 0.153 0.000 1.007 188 S HN 0.514 nan 8.310 nan 0.000 0.475 189 V N 4.279 124.206 119.914 0.021 0.000 2.384 189 V HA 0.423 4.544 4.120 0.001 0.000 0.287 189 V C -1.497 174.625 176.094 0.047 0.000 1.020 189 V CA -0.672 61.693 62.300 0.109 0.000 0.850 189 V CB 0.682 32.521 31.823 0.027 0.000 0.987 189 V HN 0.836 nan 8.190 nan 0.000 0.436 190 Y N 4.071 124.539 120.300 0.280 0.000 2.388 190 Y HA 0.415 4.965 4.550 0.001 0.000 0.328 190 Y C -0.236 175.828 175.900 0.274 0.000 0.963 190 Y CA -1.036 57.266 58.100 0.336 0.000 1.240 190 Y CB 0.883 39.544 38.460 0.334 0.000 1.118 190 Y HN 0.683 nan 8.280 nan 0.000 0.484 191 Y N 3.900 124.394 120.300 0.323 0.000 2.465 191 Y HA 0.198 4.749 4.550 0.001 0.000 0.331 191 Y C 0.061 176.007 175.900 0.077 0.000 1.102 191 Y CA 0.175 58.400 58.100 0.209 0.000 1.358 191 Y CB 0.600 39.237 38.460 0.294 0.000 1.213 191 Y HN 0.735 nan 8.280 nan 0.000 0.525 192 L N 4.966 125.791 121.223 -0.663 0.000 2.433 192 L HA 0.371 4.712 4.340 0.001 0.000 0.200 192 L C 1.384 177.764 176.870 -0.817 0.000 1.059 192 L CA 0.511 54.955 54.840 -0.660 0.000 0.835 192 L CB -0.412 41.309 42.059 -0.564 0.000 1.076 192 L HN 1.011 nan 8.230 nan 0.000 0.481 193 G N 0.672 108.862 108.800 -1.018 0.000 2.484 193 G HA2 -0.232 3.729 3.960 0.001 0.000 0.225 193 G HA3 -0.232 3.729 3.960 0.001 0.000 0.225 193 G C -0.257 174.538 174.900 -0.175 0.000 1.250 193 G CA -0.442 44.324 45.100 -0.556 0.000 0.926 193 G HN 0.237 nan 8.290 nan 0.000 0.581 194 E N 1.401 121.573 120.200 -0.047 0.000 2.148 194 E HA 0.257 4.608 4.350 0.001 0.000 0.308 194 E C 1.742 178.353 176.600 0.018 0.000 1.278 194 E CA 0.397 56.814 56.400 0.028 0.000 1.368 194 E CB 0.245 29.972 29.700 0.044 0.000 1.229 194 E HN 0.827 nan 8.360 nan 0.000 0.494 195 V N -1.723 118.171 119.914 -0.033 0.000 3.406 195 V HA 0.118 4.239 4.120 0.001 0.000 0.263 195 V C 0.492 176.458 176.094 -0.212 0.000 1.172 195 V CA 0.274 62.494 62.300 -0.134 0.000 1.140 195 V CB -0.582 31.082 31.823 -0.265 0.000 0.784 195 V HN 0.155 nan 8.190 nan 0.000 0.467 196 F N 2.523 122.476 119.950 0.006 0.000 2.404 196 F HA 0.622 5.150 4.527 0.001 0.000 0.358 196 F C -2.042 173.762 175.800 0.005 0.000 1.120 196 F CA -2.748 55.258 58.000 0.009 0.000 1.144 196 F CB 0.485 39.492 39.000 0.012 0.000 1.133 196 F HN -0.004 nan 8.300 nan 0.000 0.495 197 P HA 0.011 nan 4.420 nan 0.000 0.266 197 P C -0.713 176.640 177.300 0.088 0.000 1.195 197 P CA 0.007 63.158 63.100 0.085 0.000 0.768 197 P CB 0.326 32.057 31.700 0.053 0.000 0.838 198 Q N -0.318 119.516 119.800 0.057 0.000 2.434 198 Q HA -0.268 4.073 4.340 0.001 0.000 0.299 198 Q C -0.349 175.677 176.000 0.042 0.000 1.286 198 Q CA 1.218 57.045 55.803 0.040 0.000 0.872 198 Q CB -2.236 26.517 28.738 0.026 0.000 1.193 198 Q HN 0.429 nan 8.270 nan 0.000 0.466 199 K N 0.534 120.971 120.400 0.061 0.000 2.690 199 K HA 0.199 4.520 4.320 0.001 0.000 0.264 199 K C -1.100 175.533 176.600 0.056 0.000 1.040 199 K CA -0.670 55.646 56.287 0.049 0.000 0.946 199 K CB 0.927 33.459 32.500 0.053 0.000 1.268 199 K HN 0.049 nan 8.250 nan 0.000 0.473 200 K N 3.027 123.445 120.400 0.029 0.000 2.095 200 K HA 0.151 4.472 4.320 0.001 0.000 0.258 200 K C -0.887 175.727 176.600 0.023 0.000 1.120 200 K CA -0.058 56.245 56.287 0.026 0.000 1.026 200 K CB 0.643 33.151 32.500 0.013 0.000 1.256 200 K HN 0.284 nan 8.250 nan 0.000 0.360 201 V N 1.135 121.073 119.914 0.040 0.000 2.882 201 V HA 0.099 4.220 4.120 0.001 0.000 0.295 201 V C -1.136 174.993 176.094 0.060 0.000 1.273 201 V CA -0.656 61.657 62.300 0.020 0.000 0.949 201 V CB 2.299 34.102 31.823 -0.033 0.000 1.071 201 V HN 0.611 nan 8.190 nan 0.000 0.432 202 S N 5.145 120.866 115.700 0.036 0.000 2.457 202 S HA 0.865 5.336 4.470 0.001 0.000 0.289 202 S C -0.065 174.527 174.600 -0.012 0.000 1.163 202 S CA 0.305 58.532 58.200 0.046 0.000 1.078 202 S CB 1.029 64.315 63.200 0.143 0.000 0.987 202 S HN 1.560 nan 8.310 nan 0.000 0.482 203 A N 3.874 126.660 122.820 -0.057 0.000 2.355 203 A HA 0.824 5.145 4.320 0.001 0.000 0.324 203 A C -0.217 177.292 177.584 -0.125 0.000 1.117 203 A CA -0.701 51.305 52.037 -0.053 0.000 0.785 203 A CB 1.282 20.372 19.000 0.149 0.000 1.254 203 A HN 1.389 nan 8.150 nan 0.000 0.453 204 V N -0.380 119.517 119.914 -0.029 0.000 2.960 204 V HA 0.845 4.966 4.120 0.001 0.000 0.315 204 V C -0.446 175.739 176.094 0.152 0.000 1.087 204 V CA -0.793 61.548 62.300 0.068 0.000 0.982 204 V CB 1.449 33.340 31.823 0.113 0.000 1.039 204 V HN 0.652 nan 8.190 nan 0.000 0.437 205 V N 4.250 124.305 119.914 0.235 0.000 2.439 205 V HA 0.480 4.601 4.120 0.001 0.000 0.282 205 V C 0.028 176.336 176.094 0.356 0.000 1.039 205 V CA -0.326 62.123 62.300 0.248 0.000 0.913 205 V CB 1.415 33.349 31.823 0.184 0.000 0.983 205 V HN 0.879 nan 8.190 nan 0.000 0.460 206 I N 5.588 126.322 120.570 0.274 0.000 2.377 206 I HA 0.536 4.707 4.170 0.001 0.000 0.293 206 I C 0.044 176.282 176.117 0.200 0.000 0.987 206 I CA -0.570 60.896 61.300 0.277 0.000 1.185 206 I CB 0.754 38.859 38.000 0.174 0.000 1.341 206 I HN 0.593 nan 8.210 nan 0.000 0.455 207 R N 7.760 128.420 120.500 0.267 0.000 2.320 207 R HA 0.324 4.665 4.340 0.001 0.000 0.319 207 R C -1.972 174.456 176.300 0.213 0.000 0.969 207 R CA -0.544 55.666 56.100 0.184 0.000 0.857 207 R CB 1.131 31.549 30.300 0.196 0.000 1.160 207 R HN 0.608 nan 8.270 nan 0.000 0.491 208 F N 3.035 122.991 119.950 0.010 0.000 2.469 208 F HA 0.343 4.871 4.527 0.001 0.000 0.332 208 F C -0.703 175.098 175.800 0.001 0.000 1.103 208 F CA -0.486 57.522 58.000 0.014 0.000 0.979 208 F CB 1.755 40.741 39.000 -0.024 0.000 1.137 208 F HN 0.431 nan 8.300 nan 0.000 0.463 209 Q N 5.470 124.855 119.800 -0.692 0.000 2.333 209 Q HA 0.242 4.583 4.340 0.001 0.000 0.267 209 Q C -0.858 174.603 176.000 -0.899 0.000 1.012 209 Q CA -0.942 54.542 55.803 -0.533 0.000 0.824 209 Q CB 1.683 30.272 28.738 -0.249 0.000 1.290 209 Q HN 0.755 nan 8.270 nan 0.000 0.449 210 K N 2.581 122.721 120.400 -0.433 0.000 2.715 210 K HA 0.120 4.441 4.320 0.001 0.000 0.248 210 K C -1.409 175.103 176.600 -0.146 0.000 1.276 210 K CA 0.194 56.362 56.287 -0.198 0.000 1.209 210 K CB -0.325 32.248 32.500 0.121 0.000 1.509 210 K HN 0.615 nan 8.250 nan 0.000 0.261 211 S N -0.587 114.981 115.700 -0.221 0.000 2.622 211 S HA 0.606 5.077 4.470 0.001 0.000 0.275 211 S C 0.054 174.587 174.600 -0.111 0.000 1.112 211 S CA -0.671 57.461 58.200 -0.113 0.000 0.837 211 S CB 0.812 63.966 63.200 -0.077 0.000 1.082 211 S HN 0.618 nan 8.310 nan 0.000 0.456 212 G N 1.588 110.356 108.800 -0.052 0.000 2.601 212 G HA2 0.067 4.028 3.960 0.001 0.000 0.252 212 G HA3 0.067 4.028 3.960 0.001 0.000 0.252 212 G C -0.545 174.348 174.900 -0.010 0.000 1.294 212 G CA 0.714 45.798 45.100 -0.027 0.000 0.912 212 G HN 1.900 nan 8.290 nan 0.000 0.574 213 K N -1.627 118.784 120.400 0.018 0.000 2.556 213 K HA 0.791 5.112 4.320 0.001 0.000 0.289 213 K C 0.155 176.814 176.600 0.098 0.000 1.040 213 K CA -0.140 56.189 56.287 0.069 0.000 0.894 213 K CB 1.327 33.877 32.500 0.082 0.000 1.547 213 K HN 2.737 nan 8.250 nan 0.000 0.417 214 G N -0.371 108.545 108.800 0.193 0.000 2.612 214 G HA2 0.153 4.113 3.960 0.001 0.000 0.686 214 G HA3 0.153 4.113 3.960 0.001 0.000 0.686 214 G C -2.052 172.994 174.900 0.243 0.000 1.274 214 G CA -0.462 44.764 45.100 0.211 0.000 0.849 214 G HN 0.745 nan 8.290 nan 0.000 0.595 215 L N 0.144 121.457 121.223 0.149 0.000 2.365 215 L HA 0.866 5.207 4.340 0.001 0.000 0.273 215 L C 0.083 176.916 176.870 -0.062 0.000 1.000 215 L CA -0.426 54.369 54.840 -0.076 0.000 0.819 215 L CB 2.326 44.044 42.059 -0.568 0.000 1.284 215 L HN 0.828 nan 8.230 nan 0.000 0.418 216 S N 4.830 120.492 115.700 -0.064 0.000 2.478 216 S HA 0.677 5.148 4.470 0.001 0.000 0.312 216 S C -1.073 173.445 174.600 -0.137 0.000 1.094 216 S CA -0.414 57.716 58.200 -0.117 0.000 1.081 216 S CB 1.454 64.659 63.200 0.008 0.000 1.007 216 S HN 0.571 nan 8.310 nan 0.000 0.475 217 L N 3.850 124.922 121.223 -0.253 0.000 2.307 217 L HA 0.744 5.085 4.340 0.001 0.000 0.284 217 L C -1.900 174.852 176.870 -0.195 0.000 1.023 217 L CA -0.255 54.463 54.840 -0.203 0.000 0.810 217 L CB 0.501 42.378 42.059 -0.304 0.000 1.231 217 L HN 0.705 nan 8.230 nan 0.000 0.423 218 W N 3.468 124.731 121.300 -0.062 0.000 2.819 218 W HA 0.455 5.115 4.660 0.001 0.000 0.337 218 W C -0.236 176.483 176.519 0.334 0.000 1.077 218 W CA -0.533 56.885 57.345 0.120 0.000 1.226 218 W CB 1.242 30.675 29.460 -0.045 0.000 1.419 218 W HN 0.432 nan 8.180 nan 0.000 0.502 219 D N 0.570 121.361 120.400 0.652 0.000 2.387 219 D HA 0.572 5.213 4.640 0.001 0.000 0.251 219 D C -0.082 176.503 176.300 0.476 0.000 1.141 219 D CA 0.152 54.465 54.000 0.523 0.000 0.987 219 D CB 1.382 42.452 40.800 0.451 0.000 1.116 219 D HN 0.341 nan 8.370 nan 0.000 0.491 220 T N -1.936 112.824 114.554 0.343 0.000 2.901 220 T HA 0.673 5.023 4.350 0.001 0.000 0.293 220 T C -0.823 174.002 174.700 0.209 0.000 1.084 220 T CA -0.954 61.285 62.100 0.233 0.000 1.008 220 T CB 1.691 70.580 68.868 0.035 0.000 1.170 220 T HN 0.476 nan 8.240 nan 0.000 0.509 221 Q N -0.118 119.783 119.800 0.170 0.000 2.389 221 Q HA 0.515 4.856 4.340 0.001 0.000 0.277 221 Q C -1.310 174.694 176.000 0.006 0.000 1.082 221 Q CA -1.016 54.855 55.803 0.112 0.000 0.810 221 Q CB 1.980 30.764 28.738 0.077 0.000 1.374 221 Q HN 0.702 nan 8.270 nan 0.000 0.422 222 E N 1.502 121.624 120.200 -0.132 0.000 2.415 222 E HA 0.142 4.493 4.350 0.001 0.000 0.263 222 E C -0.328 176.103 176.600 -0.282 0.000 0.995 222 E CA 0.282 56.415 56.400 -0.445 0.000 0.915 222 E CB 0.875 30.327 29.700 -0.413 0.000 0.951 222 E HN 0.683 nan 8.360 nan 0.000 0.449 223 S N 1.734 117.236 115.700 -0.330 0.000 2.776 223 S HA 0.184 4.655 4.470 0.001 0.000 0.306 223 S C 1.048 175.541 174.600 -0.179 0.000 1.114 223 S CA -0.758 57.335 58.200 -0.177 0.000 0.973 223 S CB 1.391 64.529 63.200 -0.103 0.000 1.250 223 S HN 0.629 nan 8.310 nan 0.000 0.549 224 E N 0.048 120.183 120.200 -0.109 0.000 2.077 224 E HA -0.054 4.297 4.350 0.001 0.000 0.193 224 E C 1.250 177.789 176.600 -0.100 0.000 0.989 224 E CA 1.387 57.732 56.400 -0.092 0.000 0.800 224 E CB -0.060 29.606 29.700 -0.057 0.000 0.746 224 E HN 0.558 nan 8.360 nan 0.000 0.452 225 S N -2.073 113.570 115.700 -0.093 0.000 2.632 225 S HA 0.333 4.804 4.470 0.001 0.000 0.237 225 S C 0.217 174.768 174.600 -0.082 0.000 1.037 225 S CA 0.057 58.211 58.200 -0.077 0.000 1.009 225 S CB 1.530 64.707 63.200 -0.038 0.000 0.974 225 S HN 0.379 nan 8.310 nan 0.000 0.544 226 G N 0.457 109.178 108.800 -0.131 0.000 3.535 226 G HA2 0.558 4.519 3.960 0.001 0.000 0.169 226 G HA3 0.558 4.519 3.960 0.001 0.000 0.169 226 G C -1.547 173.061 174.900 -0.486 0.000 1.241 226 G CA -0.323 44.708 45.100 -0.116 0.000 1.334 226 G HN 0.229 nan 8.290 nan 0.000 0.717 227 F N 0.543 120.381 119.950 -0.187 0.000 2.601 227 F HA 0.604 5.131 4.527 0.001 0.000 0.309 227 F C -0.386 175.240 175.800 -0.290 0.000 1.089 227 F CA -0.659 57.094 58.000 -0.412 0.000 0.940 227 F CB 2.805 41.225 39.000 -0.966 0.000 1.273 227 F HN 0.178 nan 8.300 nan 0.000 0.450 228 T N 3.960 118.511 114.554 -0.006 0.000 2.771 228 T HA 0.406 4.757 4.350 0.001 0.000 0.281 228 T C -2.809 171.987 174.700 0.161 0.000 0.982 228 T CA -1.574 60.583 62.100 0.094 0.000 0.978 228 T CB 1.434 70.358 68.868 0.094 0.000 0.930 228 T HN 0.135 nan 8.240 nan 0.000 0.447 229 P HA 0.350 nan 4.420 nan 0.000 0.281 229 P C -0.898 176.754 177.300 0.586 0.000 1.252 229 P CA -0.526 62.855 63.100 0.469 0.000 0.778 229 P CB 0.645 32.576 31.700 0.385 0.000 0.895 230 I N 4.214 125.163 120.570 0.632 0.000 2.382 230 I HA 0.214 4.385 4.170 0.001 0.000 0.286 230 I C 0.519 176.919 176.117 0.471 0.000 1.002 230 I CA -1.246 60.353 61.300 0.497 0.000 1.135 230 I CB 1.214 39.419 38.000 0.341 0.000 1.288 230 I HN 0.256 nan 8.210 nan 0.000 0.448 231 L N 6.870 128.166 121.223 0.121 0.000 2.513 231 L HA -0.002 4.339 4.340 0.001 0.000 0.272 231 L C 0.512 177.279 176.870 -0.172 0.000 1.187 231 L CA 0.934 55.462 54.840 -0.520 0.000 0.895 231 L CB 0.321 41.888 42.059 -0.820 0.000 1.147 231 L HN 0.688 nan 8.230 nan 0.000 0.483 232 W N 5.649 126.753 121.300 -0.327 0.000 2.780 232 W HA 0.488 5.148 4.660 0.001 0.000 0.272 232 W C -0.217 176.153 176.519 -0.249 0.000 1.116 232 W CA 0.729 57.983 57.345 -0.151 0.000 1.600 232 W CB 0.452 29.938 29.460 0.043 0.000 1.086 232 W HN 0.635 nan 8.180 nan 0.000 0.584 233 A N 0.863 123.626 122.820 -0.094 0.000 2.612 233 A HA 0.550 4.871 4.320 0.001 0.000 0.293 233 A C -1.633 175.674 177.584 -0.461 0.000 1.075 233 A CA -0.558 51.309 52.037 -0.285 0.000 0.680 233 A CB 1.492 20.411 19.000 -0.134 0.000 1.279 233 A HN 0.126 nan 8.150 nan 0.000 0.411 234 E N 0.064 119.885 120.200 -0.632 0.000 2.275 234 E HA 0.480 4.830 4.350 0.001 0.000 0.270 234 E C -2.077 174.145 176.600 -0.631 0.000 0.882 234 E CA -0.267 55.835 56.400 -0.496 0.000 0.758 234 E CB 2.100 31.605 29.700 -0.324 0.000 1.195 234 E HN 0.549 nan 8.360 nan 0.000 0.419 235 Y N 2.527 122.765 120.300 -0.103 0.000 2.787 235 Y HA 0.207 4.758 4.550 0.001 0.000 0.352 235 Y C -1.653 174.231 175.900 -0.027 0.000 1.027 235 Y CA -1.878 56.200 58.100 -0.036 0.000 1.219 235 Y CB 0.882 39.345 38.460 0.005 0.000 1.110 235 Y HN 0.469 nan 8.280 nan 0.000 0.614 236 P HA -0.216 nan 4.420 nan 0.000 0.218 236 P C 0.388 177.542 177.300 -0.243 0.000 1.146 236 P CA 1.809 64.760 63.100 -0.248 0.000 0.813 236 P CB 0.346 31.736 31.700 -0.516 0.000 0.778 237 H N -3.510 115.682 119.070 0.204 0.000 2.486 237 H HA 0.106 4.663 4.556 0.001 0.000 0.284 237 H C 0.057 175.524 175.328 0.232 0.000 1.103 237 H CA -1.085 55.070 56.048 0.179 0.000 1.089 237 H CB -0.786 29.052 29.762 0.127 0.000 1.603 237 H HN 0.168 nan 8.280 nan 0.000 0.557 238 W N 3.327 124.719 121.300 0.153 0.000 2.417 238 W HA 0.007 4.668 4.660 0.002 0.000 0.332 238 W C 0.461 177.044 176.519 0.106 0.000 1.413 238 W CA 0.206 57.620 57.345 0.114 0.000 1.299 238 W CB 0.515 30.041 29.460 0.110 0.000 1.304 238 W HN 0.160 nan 8.180 nan 0.000 0.565 239 E N 3.936 123.961 120.200 -0.291 0.000 2.558 239 E HA 0.236 4.587 4.350 0.001 0.000 0.205 239 E C 1.150 177.380 176.600 -0.616 0.000 1.006 239 E CA 0.387 56.573 56.400 -0.357 0.000 0.961 239 E CB 0.448 30.070 29.700 -0.130 0.000 1.044 239 E HN 0.832 nan 8.360 nan 0.000 0.465 240 G N 2.043 110.058 108.800 -1.308 0.000 2.138 240 G HA2 -0.210 3.751 3.960 0.001 0.000 0.193 240 G HA3 -0.210 3.751 3.960 0.001 0.000 0.193 240 G C -0.135 174.634 174.900 -0.217 0.000 0.998 240 G CA -0.460 44.075 45.100 -0.941 0.000 0.668 240 G HN 0.182 nan 8.290 nan 0.000 0.516 241 E N -0.205 119.951 120.200 -0.075 0.000 2.408 241 E HA 0.494 4.845 4.350 0.001 0.000 0.259 241 E C 1.259 178.047 176.600 0.313 0.000 1.110 241 E CA -0.377 56.116 56.400 0.155 0.000 0.929 241 E CB 0.749 30.530 29.700 0.134 0.000 0.971 241 E HN 0.416 nan 8.360 nan 0.000 0.438 242 I N 1.959 122.638 120.570 0.183 0.000 2.845 242 I HA -0.136 4.035 4.170 0.001 0.000 0.296 242 I C 0.096 176.249 176.117 0.060 0.000 1.216 242 I CA 0.824 62.215 61.300 0.151 0.000 1.438 242 I CB 0.023 38.115 38.000 0.154 0.000 1.342 242 I HN 0.270 nan 8.210 nan 0.000 0.577 243 I N 7.623 128.173 120.570 -0.034 0.000 2.321 243 I HA 0.408 4.579 4.170 0.001 0.000 0.291 243 I C 0.127 176.157 176.117 -0.145 0.000 0.998 243 I CA -0.373 60.788 61.300 -0.232 0.000 1.227 243 I CB 0.563 38.301 38.000 -0.437 0.000 1.368 243 I HN 0.582 nan 8.210 nan 0.000 0.466 244 R N 4.699 125.077 120.500 -0.203 0.000 2.867 244 R HA 0.510 4.851 4.340 0.001 0.000 0.268 244 R C -1.371 174.742 176.300 -0.312 0.000 1.014 244 R CA -0.867 55.133 56.100 -0.166 0.000 0.946 244 R CB 1.749 31.891 30.300 -0.264 0.000 1.208 244 R HN 0.286 nan 8.270 nan 0.000 0.477 245 F N 1.923 121.708 119.950 -0.276 0.000 2.451 245 F HA 0.191 4.719 4.527 0.002 0.000 0.356 245 F C 0.423 176.178 175.800 -0.074 0.000 1.178 245 F CA -0.115 57.658 58.000 -0.378 0.000 1.210 245 F CB 0.436 38.959 39.000 -0.795 0.000 1.504 245 F HN 0.203 nan 8.300 nan 0.000 0.598 246 E N 1.430 121.785 120.200 0.259 0.000 2.301 246 E HA 0.377 4.728 4.350 0.001 0.000 0.275 246 E C 0.257 177.079 176.600 0.370 0.000 1.030 246 E CA -0.427 56.121 56.400 0.246 0.000 0.852 246 E CB 1.327 31.146 29.700 0.198 0.000 1.060 246 E HN 0.493 nan 8.360 nan 0.000 0.401 247 T N -1.823 112.867 114.554 0.226 0.000 2.858 247 T HA 0.162 4.513 4.350 0.001 0.000 0.285 247 T C 1.020 175.771 174.700 0.085 0.000 1.052 247 T CA -0.857 61.328 62.100 0.142 0.000 1.009 247 T CB 1.563 70.518 68.868 0.146 0.000 1.241 247 T HN 0.599 nan 8.240 nan 0.000 0.542 248 E N 0.281 120.503 120.200 0.036 0.000 2.130 248 E HA -0.244 4.107 4.350 0.001 0.000 0.196 248 E C 1.637 178.274 176.600 0.062 0.000 0.998 248 E CA 1.771 58.191 56.400 0.033 0.000 0.806 248 E CB -0.093 29.609 29.700 0.004 0.000 0.738 248 E HN 0.774 nan 8.360 nan 0.000 0.459 249 E N -0.518 119.729 120.200 0.078 0.000 2.107 249 E HA -0.129 4.222 4.350 0.001 0.000 0.191 249 E C 2.227 178.919 176.600 0.154 0.000 0.982 249 E CA 1.641 58.102 56.400 0.102 0.000 0.809 249 E CB 0.014 29.776 29.700 0.103 0.000 0.756 249 E HN 0.476 nan 8.360 nan 0.000 0.459 250 T N -0.686 113.977 114.554 0.182 0.000 2.812 250 T HA -0.073 4.278 4.350 0.001 0.000 0.264 250 T C 1.928 176.770 174.700 0.237 0.000 1.042 250 T CA 0.606 62.873 62.100 0.279 0.000 1.140 250 T CB -0.161 68.789 68.868 0.137 0.000 0.870 250 T HN -0.016 nan 8.240 nan 0.000 0.445 251 R N 1.032 121.622 120.500 0.150 0.000 2.081 251 R HA 0.073 4.413 4.340 0.001 0.000 0.235 251 R C 2.737 179.096 176.300 0.097 0.000 1.131 251 R CA 1.391 57.562 56.100 0.118 0.000 0.960 251 R CB -0.230 30.125 30.300 0.092 0.000 0.856 251 R HN 0.391 nan 8.270 nan 0.000 0.436 252 K N 0.486 120.937 120.400 0.085 0.000 2.057 252 K HA -0.136 4.185 4.320 0.001 0.000 0.206 252 K C 1.987 178.621 176.600 0.055 0.000 1.050 252 K CA 1.057 57.380 56.287 0.061 0.000 0.935 252 K CB -0.078 32.454 32.500 0.054 0.000 0.715 252 K HN 0.033 nan 8.250 nan 0.000 0.439 253 L N 1.787 123.049 121.223 0.065 0.000 2.093 253 L HA -0.142 4.199 4.340 0.001 0.000 0.208 253 L C 1.844 178.731 176.870 0.029 0.000 1.085 253 L CA 1.714 56.571 54.840 0.029 0.000 0.755 253 L CB -0.147 41.883 42.059 -0.049 0.000 0.904 253 L HN 0.195 nan 8.230 nan 0.000 0.435 254 E N -0.347 119.896 120.200 0.071 0.000 2.072 254 E HA -0.187 4.164 4.350 0.001 0.000 0.191 254 E C 2.183 178.824 176.600 0.069 0.000 0.985 254 E CA 1.642 58.099 56.400 0.095 0.000 0.801 254 E CB -0.240 29.550 29.700 0.150 0.000 0.750 254 E HN 0.716 nan 8.360 nan 0.000 0.452 255 I N -0.485 120.120 120.570 0.057 0.000 2.676 255 I HA -0.111 4.059 4.170 0.001 0.000 0.259 255 I C 2.347 178.474 176.117 0.017 0.000 1.194 255 I CA 1.086 62.408 61.300 0.037 0.000 1.473 255 I CB -0.425 37.596 38.000 0.034 0.000 1.096 255 I HN -0.047 nan 8.210 nan 0.000 0.443 256 S N 0.762 116.471 115.700 0.014 0.000 2.474 256 S HA 0.208 4.679 4.470 0.001 0.000 0.235 256 S C 0.975 175.558 174.600 -0.028 0.000 0.997 256 S CA 0.356 58.549 58.200 -0.011 0.000 0.949 256 S CB -0.610 62.579 63.200 -0.018 0.000 0.766 256 S HN 0.679 nan 8.310 nan 0.000 0.517 257 G N -0.195 108.601 108.800 -0.007 0.000 2.682 257 G HA2 0.570 4.530 3.960 0.001 0.000 0.290 257 G HA3 0.570 4.530 3.960 0.001 0.000 0.290 257 G C -1.291 173.619 174.900 0.016 0.000 1.425 257 G CA -1.073 44.022 45.100 -0.009 0.000 0.807 257 G HN 0.312 nan 8.290 nan 0.000 0.482 258 M N 1.073 120.683 119.600 0.017 0.000 2.233 258 M HA 0.357 4.838 4.480 0.001 0.000 0.350 258 M C -2.191 174.156 176.300 0.078 0.000 1.176 258 M CA -1.465 53.853 55.300 0.029 0.000 1.150 258 M CB 1.439 34.044 32.600 0.009 0.000 1.530 258 M HN 0.103 nan 8.290 nan 0.000 0.459 259 P HA -0.021 nan 4.420 nan 0.000 0.267 259 P C 0.194 177.562 177.300 0.113 0.000 1.205 259 P CA -0.106 63.050 63.100 0.094 0.000 0.765 259 P CB 0.483 32.228 31.700 0.074 0.000 0.828 260 L N 4.523 125.826 121.223 0.132 0.000 2.129 260 L HA -0.125 4.216 4.340 0.001 0.000 0.212 260 L C 2.152 179.130 176.870 0.180 0.000 1.087 260 L CA 2.438 57.381 54.840 0.171 0.000 0.757 260 L CB -1.331 40.788 42.059 0.100 0.000 0.896 260 L HN 0.523 nan 8.230 nan 0.000 0.434 261 G N -1.745 107.116 108.800 0.101 0.000 2.509 261 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 261 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 261 G C 1.100 176.045 174.900 0.075 0.000 1.124 261 G CA 0.717 45.866 45.100 0.081 0.000 0.776 261 G HN 0.405 nan 8.290 nan 0.000 0.547 262 D N -0.166 120.283 120.400 0.082 0.000 2.347 262 D HA 0.096 4.737 4.640 0.001 0.000 0.213 262 D C 2.248 178.597 176.300 0.082 0.000 0.985 262 D CA 0.243 54.287 54.000 0.072 0.000 0.879 262 D CB 0.358 41.196 40.800 0.063 0.000 0.919 262 D HN 0.330 nan 8.370 nan 0.000 0.526 263 L N -1.572 119.682 121.223 0.051 0.000 2.575 263 L HA 0.224 4.565 4.340 0.001 0.000 0.228 263 L C -0.069 176.546 176.870 -0.425 0.000 1.075 263 L CA 0.208 54.962 54.840 -0.143 0.000 0.867 263 L CB 0.505 42.547 42.059 -0.029 0.000 1.097 263 L HN -0.171 nan 8.230 nan 0.000 0.485 264 F N -1.459 118.420 119.950 -0.119 0.000 2.565 264 F HA 0.417 4.945 4.527 0.002 0.000 0.313 264 F C 0.136 175.825 175.800 -0.186 0.000 1.091 264 F CA -0.981 56.936 58.000 -0.140 0.000 0.915 264 F CB 1.255 40.226 39.000 -0.049 0.000 1.208 264 F HN -0.139 nan 8.300 nan 0.000 0.453 265 H N 4.169 123.327 119.070 0.147 0.000 2.767 265 H HA 0.377 4.933 4.556 0.001 0.000 0.316 265 H C -0.249 175.105 175.328 0.044 0.000 1.059 265 H CA 0.217 56.304 56.048 0.065 0.000 1.461 265 H CB 0.906 30.672 29.762 0.008 0.000 1.475 265 H HN 0.410 nan 8.280 nan 0.000 0.531 266 I N 5.009 125.656 120.570 0.129 0.000 2.355 266 I HA 0.278 4.449 4.170 0.001 0.000 0.288 266 I C 0.358 176.512 176.117 0.061 0.000 0.999 266 I CA -0.561 60.772 61.300 0.053 0.000 1.163 266 I CB 0.742 38.747 38.000 0.008 0.000 1.316 266 I HN 0.269 nan 8.210 nan 0.000 0.454 267 R N 4.814 125.303 120.500 -0.018 0.000 2.892 267 R HA 0.582 4.923 4.340 0.001 0.000 0.265 267 R C -1.163 175.243 176.300 0.177 0.000 1.025 267 R CA -0.907 55.186 56.100 -0.011 0.000 0.982 267 R CB 2.578 32.640 30.300 -0.397 0.000 1.185 267 R HN 0.380 nan 8.270 nan 0.000 0.484 268 F N -0.025 119.986 119.950 0.101 0.000 2.509 268 F HA 0.589 5.117 4.527 0.001 0.000 0.334 268 F C 0.224 176.184 175.800 0.266 0.000 1.060 268 F CA -0.560 57.513 58.000 0.122 0.000 0.997 268 F CB 1.531 40.517 39.000 -0.023 0.000 1.271 268 F HN 0.631 nan 8.300 nan 0.000 0.488 269 A N 1.840 124.640 122.820 -0.033 0.000 2.366 269 A HA 0.567 4.888 4.320 0.001 0.000 0.249 269 A C -0.317 177.468 177.584 0.335 0.000 1.084 269 A CA -0.102 52.071 52.037 0.227 0.000 0.794 269 A CB -0.375 18.769 19.000 0.240 0.000 1.034 269 A HN 1.089 nan 8.150 nan 0.000 0.491 270 A N 1.800 124.816 122.820 0.328 0.000 2.531 270 A HA 0.433 4.754 4.320 0.001 0.000 0.236 270 A C 0.628 178.437 177.584 0.375 0.000 1.062 270 A CA -0.116 52.058 52.037 0.228 0.000 0.760 270 A CB -0.021 18.963 19.000 -0.027 0.000 0.995 270 A HN 0.768 nan 8.150 nan 0.000 0.501 271 R N 1.766 122.431 120.500 0.275 0.000 2.543 271 R HA 0.270 4.611 4.340 0.001 0.000 0.268 271 R C 1.754 178.250 176.300 0.327 0.000 1.067 271 R CA 0.124 56.399 56.100 0.291 0.000 1.142 271 R CB -0.024 30.399 30.300 0.205 0.000 1.110 271 R HN 0.985 nan 8.270 nan 0.000 0.549 272 S N 0.893 116.754 115.700 0.268 0.000 2.372 272 S HA -0.130 4.341 4.470 0.001 0.000 0.227 272 S C -0.978 173.755 174.600 0.222 0.000 1.044 272 S CA 1.330 59.672 58.200 0.236 0.000 1.050 272 S CB -1.113 62.163 63.200 0.128 0.000 0.901 272 S HN 0.452 nan 8.310 nan 0.000 0.447 273 P HA 0.044 nan 4.420 nan 0.000 0.223 273 P C 1.256 178.626 177.300 0.117 0.000 1.151 273 P CA 1.059 64.232 63.100 0.123 0.000 0.787 273 P CB -0.125 31.631 31.700 0.093 0.000 0.788 274 E N -1.042 119.225 120.200 0.110 0.000 2.028 274 E HA -0.155 4.195 4.350 0.001 0.000 0.191 274 E C 1.765 178.360 176.600 -0.008 0.000 0.988 274 E CA 1.090 57.501 56.400 0.017 0.000 0.799 274 E CB -0.620 29.040 29.700 -0.066 0.000 0.755 274 E HN 0.221 nan 8.360 nan 0.000 0.447 275 F N 1.759 121.749 119.950 0.066 0.000 2.069 275 F HA -0.213 4.315 4.527 0.002 0.000 0.298 275 F C 2.374 178.221 175.800 0.077 0.000 1.113 275 F CA 1.418 59.444 58.000 0.044 0.000 1.214 275 F CB -0.320 38.678 39.000 -0.004 0.000 0.978 275 F HN -0.125 nan 8.300 nan 0.000 0.474 276 K N 0.392 120.947 120.400 0.258 0.000 2.127 276 K HA -0.252 4.069 4.320 0.001 0.000 0.208 276 K C 1.865 178.545 176.600 0.135 0.000 1.047 276 K CA 2.058 58.445 56.287 0.166 0.000 0.927 276 K CB -0.372 32.202 32.500 0.124 0.000 0.716 276 K HN 0.382 nan 8.250 nan 0.000 0.450 277 K N 0.298 120.770 120.400 0.119 0.000 2.426 277 K HA -0.042 4.279 4.320 0.001 0.000 0.193 277 K C 0.308 176.956 176.600 0.080 0.000 1.028 277 K CA 0.225 56.561 56.287 0.081 0.000 1.047 277 K CB -0.088 32.443 32.500 0.053 0.000 0.821 277 K HN 0.113 nan 8.250 nan 0.000 0.513 278 H N 2.502 121.587 119.070 0.025 0.000 2.848 278 H HA 0.089 4.646 4.556 0.002 0.000 0.317 278 H C -1.516 173.829 175.328 0.029 0.000 1.046 278 H CA -1.508 54.546 56.048 0.010 0.000 1.470 278 H CB 1.272 31.027 29.762 -0.013 0.000 1.483 278 H HN -0.048 nan 8.280 nan 0.000 0.548 279 P HA -0.184 nan 4.420 nan 0.000 0.219 279 P C 0.636 177.984 177.300 0.080 0.000 1.146 279 P CA 1.544 64.596 63.100 -0.080 0.000 0.808 279 P CB 0.170 31.764 31.700 -0.177 0.000 0.779 280 A N -0.559 122.445 122.820 0.307 0.000 2.218 280 A HA 0.171 4.492 4.320 0.001 0.000 0.209 280 A C 1.100 178.817 177.584 0.222 0.000 1.168 280 A CA 0.118 52.321 52.037 0.277 0.000 0.804 280 A CB -0.397 18.786 19.000 0.305 0.000 0.834 280 A HN 0.054 nan 8.150 nan 0.000 0.482 281 V N 2.227 122.295 119.914 0.257 0.000 2.583 281 V HA 0.336 4.457 4.120 0.001 0.000 0.287 281 V C 0.045 176.237 176.094 0.164 0.000 1.051 281 V CA -0.365 62.052 62.300 0.195 0.000 1.010 281 V CB 0.890 32.846 31.823 0.221 0.000 0.988 281 V HN 0.443 nan 8.190 nan 0.000 0.478 282 R N 3.623 124.232 120.500 0.181 0.000 2.854 282 R HA 0.510 4.850 4.340 0.001 0.000 0.271 282 R C 0.217 176.675 176.300 0.264 0.000 0.996 282 R CA -0.901 55.303 56.100 0.172 0.000 0.961 282 R CB 1.437 31.807 30.300 0.116 0.000 1.182 282 R HN 0.493 nan 8.270 nan 0.000 0.479 283 K N 0.499 121.028 120.400 0.214 0.000 2.444 283 K HA 0.133 4.454 4.320 0.001 0.000 0.193 283 K C -0.079 176.745 176.600 0.373 0.000 1.024 283 K CA 0.330 56.782 56.287 0.275 0.000 1.077 283 K CB 0.442 33.033 32.500 0.153 0.000 0.833 283 K HN 0.374 nan 8.250 nan 0.000 0.517 284 E N 0.795 121.079 120.200 0.140 0.000 2.317 284 E HA 0.303 4.654 4.350 0.001 0.000 0.270 284 E C -2.767 173.321 176.600 -0.853 0.000 0.885 284 E CA -2.643 53.579 56.400 -0.296 0.000 0.760 284 E CB 2.243 31.838 29.700 -0.175 0.000 1.227 284 E HN -0.193 nan 8.360 nan 0.000 0.434 285 P HA 0.326 nan 4.420 nan 0.000 0.271 285 P C -0.450 176.469 177.300 -0.635 0.000 1.218 285 P CA -0.187 62.027 63.100 -1.477 0.000 0.780 285 P CB 1.171 32.170 31.700 -1.167 0.000 0.901 286 G N 1.874 110.408 108.800 -0.442 0.000 2.727 286 G HA2 0.624 4.585 3.960 0.001 0.000 0.289 286 G HA3 0.624 4.585 3.960 0.001 0.000 0.289 286 G C -3.062 171.748 174.900 -0.150 0.000 1.418 286 G CA -1.212 43.751 45.100 -0.229 0.000 0.818 286 G HN 0.330 nan 8.290 nan 0.000 0.486 287 P HA 0.384 nan 4.420 nan 0.000 0.282 287 P C 0.770 178.042 177.300 -0.046 0.000 1.262 287 P CA 0.929 63.992 63.100 -0.063 0.000 0.773 287 P CB 1.197 32.867 31.700 -0.049 0.000 0.879 288 G N 2.330 111.108 108.800 -0.036 0.000 2.199 288 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 288 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 288 G C -0.130 174.756 174.900 -0.024 0.000 0.982 288 G CA -0.170 44.914 45.100 -0.027 0.000 0.632 288 G HN 0.489 nan 8.290 nan 0.000 0.529 289 L N 0.267 121.477 121.223 -0.021 0.000 2.357 289 L HA 0.812 5.152 4.340 0.001 0.000 0.273 289 L C 0.237 177.168 176.870 0.103 0.000 1.080 289 L CA -1.072 53.786 54.840 0.030 0.000 0.803 289 L CB 1.807 43.877 42.059 0.018 0.000 1.174 289 L HN -0.019 nan 8.230 nan 0.000 0.443 290 V N 3.143 123.145 119.914 0.147 0.000 2.876 290 V HA 0.486 4.607 4.120 0.001 0.000 0.312 290 V C -2.218 173.939 176.094 0.105 0.000 1.085 290 V CA -1.868 60.488 62.300 0.094 0.000 0.945 290 V CB 3.213 34.868 31.823 -0.281 0.000 1.017 290 V HN 0.588 nan 8.190 nan 0.000 0.428 291 P HA 0.101 nan 4.420 nan 0.000 0.268 291 P C -0.535 176.545 177.300 -0.366 0.000 1.204 291 P CA 0.208 63.071 63.100 -0.395 0.000 0.768 291 P CB 0.762 32.296 31.700 -0.277 0.000 0.842 292 V N 5.089 124.679 119.914 -0.539 0.000 2.439 292 V HA 0.047 4.168 4.120 0.001 0.000 0.271 292 V C 0.989 176.753 176.094 -0.550 0.000 1.040 292 V CA -0.095 61.846 62.300 -0.598 0.000 1.002 292 V CB -0.284 31.025 31.823 -0.856 0.000 1.000 292 V HN 0.345 nan 8.190 nan 0.000 0.477 293 L N 5.367 126.240 121.223 -0.584 0.000 2.418 293 L HA 0.587 4.928 4.340 0.001 0.000 0.265 293 L C 0.823 177.489 176.870 -0.341 0.000 1.143 293 L CA -0.077 54.387 54.840 -0.627 0.000 0.809 293 L CB 1.118 42.388 42.059 -1.316 0.000 1.124 293 L HN 0.821 nan 8.230 nan 0.000 0.456 294 T N -2.506 111.932 114.554 -0.193 0.000 2.773 294 T HA 0.371 4.722 4.350 0.001 0.000 0.278 294 T C 1.081 175.824 174.700 0.071 0.000 1.011 294 T CA -0.134 61.960 62.100 -0.010 0.000 1.014 294 T CB 1.231 70.064 68.868 -0.059 0.000 1.293 294 T HN 0.612 nan 8.240 nan 0.000 0.554 295 G N -0.138 108.691 108.800 0.049 0.000 2.485 295 G HA2 -0.174 3.787 3.960 0.001 0.000 0.221 295 G HA3 -0.174 3.787 3.960 0.001 0.000 0.221 295 G C 1.448 176.286 174.900 -0.104 0.000 1.115 295 G CA 0.280 45.385 45.100 0.009 0.000 0.751 295 G HN 0.746 nan 8.290 nan 0.000 0.567 296 R N -0.130 120.229 120.500 -0.234 0.000 2.280 296 R HA 0.020 4.361 4.340 0.001 0.000 0.207 296 R C 1.491 177.575 176.300 -0.359 0.000 1.043 296 R CA 0.990 56.817 56.100 -0.455 0.000 1.006 296 R CB -0.138 29.538 30.300 -1.040 0.000 0.885 296 R HN 0.416 nan 8.270 nan 0.000 0.467 297 N N -0.107 118.465 118.700 -0.214 0.000 2.325 297 N HA 0.003 4.744 4.740 0.001 0.000 0.182 297 N C -0.415 174.945 175.510 -0.250 0.000 1.088 297 N CA -0.067 52.835 53.050 -0.247 0.000 0.879 297 N CB 0.402 38.664 38.487 -0.375 0.000 0.983 297 N HN -0.043 nan 8.380 nan 0.000 0.471 298 L N 1.666 122.831 121.223 -0.097 0.000 2.265 298 L HA 0.322 4.662 4.340 0.001 0.000 0.288 298 L C -0.578 176.114 176.870 -0.296 0.000 1.058 298 L CA -0.055 54.723 54.840 -0.102 0.000 0.809 298 L CB 0.355 42.403 42.059 -0.018 0.000 1.179 298 L HN -0.105 nan 8.230 nan 0.000 0.429 299 K N 5.021 125.147 120.400 -0.457 0.000 2.350 299 K HA 0.545 4.865 4.320 0.001 0.000 0.241 299 K C -2.602 173.829 176.600 -0.281 0.000 0.994 299 K CA -2.096 53.863 56.287 -0.547 0.000 0.839 299 K CB 1.243 32.917 32.500 -1.377 0.000 1.244 299 K HN 0.240 nan 8.250 nan 0.000 0.443 300 P HA 0.063 nan 4.420 nan 0.000 0.263 300 P C 0.444 177.826 177.300 0.137 0.000 1.345 300 P CA 0.729 63.836 63.100 0.012 0.000 1.119 300 P CB -0.273 31.453 31.700 0.043 0.000 1.363 301 G N 1.459 110.324 108.800 0.107 0.000 2.175 301 G HA2 -0.149 3.812 3.960 0.001 0.000 0.244 301 G HA3 -0.149 3.812 3.960 0.001 0.000 0.244 301 G C -0.333 174.763 174.900 0.326 0.000 0.982 301 G CA -0.232 44.983 45.100 0.192 0.000 0.641 301 G HN 0.542 nan 8.290 nan 0.000 0.527 302 W N -0.965 120.346 121.300 0.018 0.000 3.042 302 W HA 0.755 5.417 4.660 0.002 0.000 0.342 302 W C -1.284 175.209 176.519 -0.044 0.000 1.240 302 W CA -1.328 56.025 57.345 0.012 0.000 1.166 302 W CB 1.010 30.478 29.460 0.014 0.000 1.469 302 W HN 0.435 nan 8.180 nan 0.000 0.579 303 V N 2.029 121.920 119.914 -0.039 0.000 2.483 303 V HA 0.104 4.225 4.120 0.001 0.000 0.297 303 V C -0.689 175.116 176.094 -0.482 0.000 1.027 303 V CA -0.325 61.701 62.300 -0.458 0.000 0.855 303 V CB 1.378 32.787 31.823 -0.689 0.000 0.995 303 V HN 0.507 nan 8.190 nan 0.000 0.424 304 D N 3.188 123.263 120.400 -0.543 0.000 2.344 304 D HA 0.160 4.801 4.640 0.001 0.000 0.253 304 D C 0.193 176.284 176.300 -0.348 0.000 1.255 304 D CA 0.192 54.046 54.000 -0.243 0.000 0.894 304 D CB 0.578 41.248 40.800 -0.217 0.000 1.067 304 D HN 0.494 nan 8.370 nan 0.000 0.492 305 Y N 1.876 122.091 120.300 -0.140 0.000 2.490 305 Y HA 0.118 4.669 4.550 0.001 0.000 0.281 305 Y C 1.696 177.538 175.900 -0.096 0.000 1.174 305 Y CA 0.075 58.002 58.100 -0.289 0.000 1.295 305 Y CB 0.468 38.681 38.460 -0.411 0.000 1.062 305 Y HN 0.416 nan 8.280 nan 0.000 0.522 306 E N 0.095 120.345 120.200 0.083 0.000 2.244 306 E HA 0.058 4.408 4.350 0.001 0.000 0.196 306 E C 0.275 176.888 176.600 0.021 0.000 0.939 306 E CA 0.252 56.707 56.400 0.091 0.000 0.884 306 E CB 0.072 29.834 29.700 0.104 0.000 0.850 306 E HN 0.224 nan 8.360 nan 0.000 0.481 307 K N 2.858 123.224 120.400 -0.056 0.000 2.363 307 K HA 0.079 4.399 4.320 0.001 0.000 0.289 307 K C 0.268 176.644 176.600 -0.373 0.000 1.063 307 K CA -0.160 55.999 56.287 -0.214 0.000 0.967 307 K CB 0.300 32.647 32.500 -0.256 0.000 0.987 307 K HN -0.039 nan 8.250 nan 0.000 0.473 308 N N 2.935 121.433 118.700 -0.336 0.000 2.470 308 N HA -0.008 4.733 4.740 0.001 0.000 0.268 308 N C -0.032 175.152 175.510 -0.543 0.000 1.136 308 N CA 0.207 52.988 53.050 -0.448 0.000 0.961 308 N CB 0.594 38.767 38.487 -0.523 0.000 1.067 308 N HN 0.600 nan 8.380 nan 0.000 0.468 309 H N 0.979 119.881 119.070 -0.280 0.000 3.017 309 H HA 0.046 4.603 4.556 0.001 0.000 0.255 309 H C 1.407 176.602 175.328 -0.221 0.000 0.990 309 H CA 0.452 56.377 56.048 -0.206 0.000 1.205 309 H CB 0.552 30.211 29.762 -0.172 0.000 1.460 309 H HN 0.667 nan 8.280 nan 0.000 0.478 310 S N -0.360 115.213 115.700 -0.211 0.000 2.501 310 S HA 0.124 4.595 4.470 0.001 0.000 0.220 310 S C 1.773 176.219 174.600 -0.257 0.000 0.997 310 S CA 0.618 58.679 58.200 -0.232 0.000 0.919 310 S CB 0.159 63.163 63.200 -0.326 0.000 0.778 310 S HN 0.484 nan 8.310 nan 0.000 0.523 311 G N 0.975 109.550 108.800 -0.374 0.000 2.179 311 G HA2 -0.218 3.743 3.960 0.001 0.000 0.257 311 G HA3 -0.218 3.743 3.960 0.001 0.000 0.257 311 G C -0.205 174.501 174.900 -0.323 0.000 1.010 311 G CA 0.633 45.541 45.100 -0.320 0.000 0.736 311 G HN 0.571 nan 8.290 nan 0.000 0.513 312 L N -1.072 119.820 121.223 -0.551 0.000 2.401 312 L HA 0.745 5.086 4.340 0.001 0.000 0.266 312 L C -0.186 176.382 176.870 -0.503 0.000 0.991 312 L CA -1.231 53.417 54.840 -0.321 0.000 0.818 312 L CB 1.745 43.657 42.059 -0.246 0.000 1.321 312 L HN 0.124 nan 8.230 nan 0.000 0.413 313 W N 4.198 125.450 121.300 -0.079 0.000 2.950 313 W HA 0.726 5.387 4.660 0.001 0.000 0.340 313 W C -0.400 176.084 176.519 -0.058 0.000 1.139 313 W CA -0.641 56.653 57.345 -0.084 0.000 1.188 313 W CB 2.383 31.805 29.460 -0.063 0.000 1.426 313 W HN 0.444 nan 8.180 nan 0.000 0.531 314 M N 1.198 120.884 119.600 0.145 0.000 2.603 314 M HA 0.502 4.983 4.480 0.001 0.000 0.275 314 M C -3.066 173.239 176.300 0.009 0.000 1.226 314 M CA -2.057 53.286 55.300 0.071 0.000 0.870 314 M CB 2.343 34.963 32.600 0.033 0.000 1.716 314 M HN -0.153 nan 8.290 nan 0.000 0.482 315 P HA 0.149 nan 4.420 nan 0.000 0.271 315 P C -0.277 176.973 177.300 -0.084 0.000 1.226 315 P CA -0.040 63.041 63.100 -0.033 0.000 0.765 315 P CB 0.811 32.508 31.700 -0.005 0.000 0.835 316 K N 3.962 124.273 120.400 -0.147 0.000 2.113 316 K HA -0.232 4.089 4.320 0.001 0.000 0.208 316 K C 1.658 178.195 176.600 -0.106 0.000 1.047 316 K CA 1.631 57.791 56.287 -0.212 0.000 0.928 316 K CB 0.033 32.351 32.500 -0.304 0.000 0.716 316 K HN 0.561 nan 8.250 nan 0.000 0.446 317 E N 0.221 120.385 120.200 -0.060 0.000 2.268 317 E HA -0.204 4.147 4.350 0.001 0.000 0.195 317 E C 1.268 177.864 176.600 -0.007 0.000 0.995 317 E CA 0.841 57.228 56.400 -0.020 0.000 0.836 317 E CB 0.027 29.723 29.700 -0.007 0.000 0.763 317 E HN 0.223 nan 8.360 nan 0.000 0.491 318 R N -0.012 120.478 120.500 -0.017 0.000 2.317 318 R HA 0.234 4.575 4.340 0.001 0.000 0.208 318 R C 1.916 178.178 176.300 -0.064 0.000 0.914 318 R CA 0.623 56.718 56.100 -0.007 0.000 1.060 318 R CB 0.300 30.619 30.300 0.031 0.000 1.015 318 R HN 0.236 nan 8.270 nan 0.000 0.498 319 A N 2.338 125.125 122.820 -0.055 0.000 1.969 319 A HA -0.202 4.119 4.320 0.001 0.000 0.218 319 A C 2.010 179.639 177.584 0.075 0.000 1.169 319 A CA 1.332 53.347 52.037 -0.036 0.000 0.635 319 A CB -0.212 18.745 19.000 -0.072 0.000 0.810 319 A HN 0.342 nan 8.150 nan 0.000 0.445 320 K N 0.000 120.432 120.400 0.053 0.000 2.362 320 K HA -0.088 4.233 4.320 0.001 0.000 0.200 320 K C 1.252 177.823 176.600 -0.049 0.000 1.046 320 K CA 1.434 57.726 56.287 0.009 0.000 0.952 320 K CB -0.217 32.290 32.500 0.011 0.000 0.753 320 K HN 0.555 nan 8.250 nan 0.000 0.466 321 E N 0.980 121.166 120.200 -0.025 0.000 2.150 321 E HA -0.108 4.243 4.350 0.001 0.000 0.193 321 E C 1.774 178.338 176.600 -0.059 0.000 0.985 321 E CA 0.826 57.225 56.400 -0.002 0.000 0.814 321 E CB -0.076 29.707 29.700 0.139 0.000 0.752 321 E HN 0.235 nan 8.360 nan 0.000 0.466 322 L N -0.022 121.120 121.223 -0.135 0.000 2.023 322 L HA -0.038 4.303 4.340 0.001 0.000 0.205 322 L C 0.852 177.550 176.870 -0.287 0.000 1.073 322 L CA 1.074 55.780 54.840 -0.223 0.000 0.745 322 L CB 0.182 41.991 42.059 -0.417 0.000 0.900 322 L HN -0.105 nan 8.230 nan 0.000 0.435 323 R N -0.065 120.170 120.500 -0.441 0.000 2.574 323 R HA 0.147 4.487 4.340 0.001 0.000 0.288 323 R C -0.087 175.722 176.300 -0.819 0.000 1.004 323 R CA -0.396 55.146 56.100 -0.930 0.000 0.895 323 R CB 1.415 30.508 30.300 -2.013 0.000 1.191 323 R HN 0.096 nan 8.270 nan 0.000 0.444 324 D N 2.016 122.091 120.400 -0.542 0.000 2.218 324 D HA -0.181 4.460 4.640 0.001 0.000 0.204 324 D C 1.349 177.524 176.300 -0.209 0.000 0.976 324 D CA 1.230 55.073 54.000 -0.261 0.000 0.853 324 D CB -0.310 40.424 40.800 -0.109 0.000 0.939 324 D HN 0.561 nan 8.370 nan 0.000 0.481 325 F N -1.063 118.761 119.950 -0.210 0.000 2.604 325 F HA 0.120 4.648 4.527 0.001 0.000 0.298 325 F C 1.426 177.163 175.800 -0.106 0.000 1.131 325 F CA -0.246 57.627 58.000 -0.211 0.000 1.457 325 F CB -1.044 37.753 39.000 -0.339 0.000 1.095 325 F HN -0.217 nan 8.300 nan 0.000 0.574 326 Y N 1.423 121.586 120.300 -0.228 0.000 2.569 326 Y HA 0.075 4.626 4.550 0.001 0.000 0.293 326 Y C 2.445 178.409 175.900 0.106 0.000 1.144 326 Y CA -0.015 58.097 58.100 0.020 0.000 1.321 326 Y CB -1.158 37.255 38.460 -0.079 0.000 0.982 326 Y HN 0.293 nan 8.280 nan 0.000 0.558 327 A N -0.941 121.996 122.820 0.195 0.000 2.072 327 A HA 0.039 4.359 4.320 0.001 0.000 0.216 327 A C 1.101 178.798 177.584 0.187 0.000 1.156 327 A CA 0.815 52.945 52.037 0.155 0.000 0.701 327 A CB -0.496 18.559 19.000 0.092 0.000 0.816 327 A HN 0.208 nan 8.150 nan 0.000 0.458 328 T N 1.704 116.399 114.554 0.235 0.000 2.824 328 T HA 0.511 4.862 4.350 0.001 0.000 0.280 328 T C -2.964 171.926 174.700 0.316 0.000 0.995 328 T CA -1.495 60.751 62.100 0.243 0.000 1.009 328 T CB 1.575 70.571 68.868 0.213 0.000 0.955 328 T HN -0.046 nan 8.240 nan 0.000 0.452 329 P HA 0.173 nan 4.420 nan 0.000 0.268 329 P C -0.379 176.705 177.300 -0.359 0.000 1.204 329 P CA 0.060 63.144 63.100 -0.026 0.000 0.768 329 P CB 0.261 32.050 31.700 0.148 0.000 0.842 330 H N 1.037 119.536 119.070 -0.951 0.000 3.003 330 H HA 0.334 4.891 4.556 0.002 0.000 0.327 330 H C -1.508 173.282 175.328 -0.898 0.000 1.353 330 H CA -1.194 54.259 56.048 -0.992 0.000 1.142 330 H CB 0.318 29.934 29.762 -0.243 0.000 1.864 330 H HN 0.184 nan 8.280 nan 0.000 0.529 331 L N 1.913 122.939 121.223 -0.329 0.000 2.410 331 L HA 0.308 4.649 4.340 0.001 0.000 0.273 331 L C -0.785 175.974 176.870 -0.185 0.000 1.144 331 L CA -0.014 54.764 54.840 -0.104 0.000 0.863 331 L CB 0.376 42.457 42.059 0.036 0.000 1.140 331 L HN 0.444 nan 8.230 nan 0.000 0.463 332 V N 5.887 125.601 119.914 -0.333 0.000 2.495 332 V HA 0.587 4.708 4.120 0.001 0.000 0.298 332 V C -0.302 175.564 176.094 -0.380 0.000 1.031 332 V CA -0.723 61.253 62.300 -0.541 0.000 0.871 332 V CB 1.711 32.971 31.823 -0.939 0.000 0.988 332 V HN 0.539 nan 8.190 nan 0.000 0.432 333 V N 2.719 122.447 119.914 -0.309 0.000 2.680 333 V HA 0.802 4.923 4.120 0.001 0.000 0.309 333 V C 0.489 176.573 176.094 -0.017 0.000 1.052 333 V CA -0.801 61.421 62.300 -0.131 0.000 0.908 333 V CB 1.907 33.680 31.823 -0.083 0.000 1.001 333 V HN 1.033 nan 8.190 nan 0.000 0.431 334 A N 1.030 123.855 122.820 0.007 0.000 2.407 334 A HA 0.416 4.736 4.320 0.001 0.000 0.248 334 A C 0.558 178.312 177.584 0.283 0.000 1.082 334 A CA 0.272 52.341 52.037 0.052 0.000 0.785 334 A CB -0.001 18.998 19.000 -0.002 0.000 1.020 334 A HN 1.091 nan 8.150 nan 0.000 0.489 335 H N 0.626 119.755 119.070 0.097 0.000 2.545 335 H HA 0.182 4.739 4.556 0.002 0.000 0.283 335 H C 0.311 175.804 175.328 0.274 0.000 0.997 335 H CA 1.711 57.890 56.048 0.219 0.000 1.269 335 H CB 0.680 30.451 29.762 0.014 0.000 1.451 335 H HN 0.484 nan 8.280 nan 0.000 0.508 336 T N 1.137 115.724 114.554 0.055 0.000 3.532 336 T HA 0.283 4.634 4.350 0.001 0.000 0.241 336 T C 0.195 174.833 174.700 -0.102 0.000 1.238 336 T CA -0.419 61.627 62.100 -0.090 0.000 1.405 336 T CB 0.131 68.985 68.868 -0.024 0.000 0.971 336 T HN 0.215 nan 8.240 nan 0.000 0.640 337 K N 1.354 121.703 120.400 -0.084 0.000 2.478 337 K HA 0.482 4.803 4.320 0.001 0.000 0.205 337 K C 1.069 177.613 176.600 -0.094 0.000 1.033 337 K CA -0.447 55.790 56.287 -0.084 0.000 1.091 337 K CB 1.148 33.610 32.500 -0.063 0.000 0.844 337 K HN 0.559 nan 8.250 nan 0.000 0.507 338 G N 0.838 109.561 108.800 -0.128 0.000 2.660 338 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 338 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 338 G C -0.367 174.484 174.900 -0.081 0.000 1.345 338 G CA -0.866 44.164 45.100 -0.117 0.000 0.877 338 G HN 0.042 nan 8.290 nan 0.000 0.549 339 T N 2.088 116.597 114.554 -0.076 0.000 3.455 339 T HA 0.519 4.870 4.350 0.001 0.000 0.286 339 T C 0.701 175.368 174.700 -0.055 0.000 1.157 339 T CA 0.970 63.032 62.100 -0.063 0.000 1.090 339 T CB -0.716 68.106 68.868 -0.076 0.000 1.112 339 T HN 0.805 nan 8.240 nan 0.000 0.779 340 R N -0.270 120.203 120.500 -0.046 0.000 2.752 340 R HA 0.718 5.059 4.340 0.001 0.000 0.271 340 R C -1.948 174.323 176.300 -0.048 0.000 1.026 340 R CA -1.092 54.977 56.100 -0.050 0.000 0.901 340 R CB 1.101 31.367 30.300 -0.057 0.000 1.243 340 R HN 0.065 nan 8.270 nan 0.000 0.463 341 V N 1.829 121.699 119.914 -0.074 0.000 2.304 341 V HA 0.363 4.483 4.120 0.001 0.000 0.278 341 V C -0.710 175.325 176.094 -0.098 0.000 1.018 341 V CA -0.690 61.554 62.300 -0.092 0.000 0.814 341 V CB 1.296 33.034 31.823 -0.142 0.000 1.021 341 V HN 0.501 nan 8.190 nan 0.000 0.440 342 V N 4.255 124.123 119.914 -0.076 0.000 2.357 342 V HA 0.883 5.004 4.120 0.001 0.000 0.284 342 V C 0.324 176.362 176.094 -0.094 0.000 1.018 342 V CA -0.255 61.996 62.300 -0.082 0.000 0.841 342 V CB 1.500 33.276 31.823 -0.078 0.000 0.991 342 V HN 0.920 nan 8.190 nan 0.000 0.437 343 A N 4.100 126.865 122.820 -0.092 0.000 2.454 343 A HA 1.059 5.380 4.320 0.001 0.000 0.302 343 A C -0.500 177.053 177.584 -0.052 0.000 1.079 343 A CA -0.210 51.769 52.037 -0.096 0.000 0.731 343 A CB 2.115 21.056 19.000 -0.098 0.000 1.299 343 A HN 1.555 nan 8.150 nan 0.000 0.413 344 A N 0.570 123.359 122.820 -0.051 0.000 2.594 344 A HA 0.623 4.944 4.320 0.001 0.000 0.295 344 A C -1.413 176.229 177.584 0.097 0.000 1.071 344 A CA -0.339 51.724 52.037 0.044 0.000 0.685 344 A CB 0.802 19.813 19.000 0.017 0.000 1.285 344 A HN 1.311 nan 8.150 nan 0.000 0.405 345 W N 2.687 123.990 121.300 0.005 0.000 2.388 345 W HA 0.288 4.949 4.660 0.001 0.000 0.308 345 W C -0.983 175.577 176.519 0.068 0.000 1.263 345 W CA 0.239 57.601 57.345 0.028 0.000 1.286 345 W CB 0.988 30.493 29.460 0.075 0.000 1.294 345 W HN 0.775 nan 8.180 nan 0.000 0.493 346 D N 4.781 124.983 120.400 -0.331 0.000 2.402 346 D HA -0.070 4.571 4.640 0.001 0.000 0.235 346 D C 1.263 177.457 176.300 -0.177 0.000 1.226 346 D CA 0.272 54.209 54.000 -0.104 0.000 0.918 346 D CB 0.573 41.307 40.800 -0.110 0.000 1.043 346 D HN 0.620 nan 8.370 nan 0.000 0.506 347 E N 2.908 123.210 120.200 0.170 0.000 2.442 347 E HA -0.010 4.341 4.350 0.001 0.000 0.195 347 E C 1.005 177.713 176.600 0.180 0.000 1.030 347 E CA 0.062 56.609 56.400 0.245 0.000 0.869 347 E CB 0.205 30.194 29.700 0.482 0.000 0.857 347 E HN 0.288 nan 8.360 nan 0.000 0.505 348 R N 0.746 121.328 120.500 0.136 0.000 2.297 348 R HA 0.240 4.581 4.340 0.001 0.000 0.197 348 R C 0.303 176.757 176.300 0.258 0.000 0.943 348 R CA 0.474 56.621 56.100 0.079 0.000 1.038 348 R CB 0.170 30.292 30.300 -0.297 0.000 0.957 348 R HN 0.202 nan 8.270 nan 0.000 0.484 349 A N 1.375 124.371 122.820 0.293 0.000 1.900 349 A HA -0.241 4.080 4.320 0.001 0.000 0.251 349 A C -0.760 177.081 177.584 0.429 0.000 1.334 349 A CA 0.605 52.856 52.037 0.357 0.000 0.728 349 A CB -1.573 17.596 19.000 0.281 0.000 1.197 349 A HN 0.324 nan 8.150 nan 0.000 0.278 350 Y N 2.260 122.704 120.300 0.241 0.000 2.488 350 Y HA 0.592 5.143 4.550 0.002 0.000 0.325 350 Y C -1.735 174.073 175.900 -0.153 0.000 1.204 350 Y CA -1.928 56.181 58.100 0.015 0.000 1.229 350 Y CB 1.056 39.457 38.460 -0.097 0.000 1.274 350 Y HN 0.464 nan 8.280 nan 0.000 0.493 351 P HA -0.013 nan 4.420 nan 0.000 0.271 351 P C -1.307 175.689 177.300 -0.506 0.000 1.233 351 P CA 0.181 62.967 63.100 -0.523 0.000 0.764 351 P CB 0.181 31.729 31.700 -0.253 0.000 0.825 352 W N 3.078 124.014 121.300 -0.607 0.000 2.606 352 W HA 0.466 5.127 4.660 0.000 0.000 0.332 352 W C 1.613 178.118 176.519 -0.025 0.000 1.052 352 W CA -0.553 56.690 57.345 -0.170 0.000 1.223 352 W CB 1.878 31.431 29.460 0.154 0.000 1.383 352 W HN 0.336 nan 8.180 nan 0.000 0.524 353 R N 0.507 121.058 120.500 0.086 0.000 2.265 353 R HA 0.101 4.442 4.340 0.001 0.000 0.194 353 R C -0.184 176.255 176.300 0.232 0.000 0.931 353 R CA 0.846 57.008 56.100 0.102 0.000 1.032 353 R CB 0.470 30.662 30.300 -0.180 0.000 0.980 353 R HN 0.392 nan 8.270 nan 0.000 0.497 354 E N 0.414 120.755 120.200 0.236 0.000 2.445 354 E HA 0.303 4.654 4.350 0.001 0.000 0.273 354 E C -0.702 175.781 176.600 -0.196 0.000 0.961 354 E CA -0.651 55.786 56.400 0.062 0.000 0.807 354 E CB 1.516 31.288 29.700 0.120 0.000 1.362 354 E HN 0.051 nan 8.360 nan 0.000 0.453 355 E N -0.669 119.073 120.200 -0.763 0.000 8.611 355 E HA -0.150 4.201 4.350 0.001 0.000 0.530 355 E C -1.005 174.812 176.600 -1.306 0.000 1.374 355 E CA 0.192 56.059 56.400 -0.888 0.000 2.535 355 E CB -1.024 28.318 29.700 -0.595 0.000 0.980 355 E HN 0.340 nan 8.360 nan 0.000 0.262 356 F N 1.002 120.580 119.950 -0.620 0.000 2.396 356 F HA 0.319 4.846 4.527 0.001 0.000 0.343 356 F C 1.200 176.584 175.800 -0.695 0.000 1.104 356 F CA 0.068 57.815 58.000 -0.422 0.000 1.161 356 F CB 0.729 39.624 39.000 -0.174 0.000 1.146 356 F HN 0.134 nan 8.300 nan 0.000 0.522 357 H N 4.447 123.443 119.070 -0.123 0.000 2.708 357 H HA 0.364 4.921 4.556 0.002 0.000 0.320 357 H C -1.157 173.994 175.328 -0.295 0.000 0.991 357 H CA -0.737 55.169 56.048 -0.237 0.000 1.243 357 H CB 1.702 31.241 29.762 -0.371 0.000 1.446 357 H HN 0.343 nan 8.280 nan 0.000 0.502 358 L N 4.917 126.088 121.223 -0.086 0.000 2.265 358 L HA 0.201 4.542 4.340 0.001 0.000 0.289 358 L C -0.623 176.366 176.870 0.199 0.000 1.033 358 L CA -0.337 54.475 54.840 -0.047 0.000 0.814 358 L CB 1.017 42.852 42.059 -0.375 0.000 1.203 358 L HN 0.374 nan 8.230 nan 0.000 0.423 359 L N 6.025 127.423 121.223 0.291 0.000 2.343 359 L HA 0.491 4.832 4.340 0.001 0.000 0.278 359 L C -2.208 174.816 176.870 0.257 0.000 0.996 359 L CA -2.009 52.992 54.840 0.268 0.000 0.831 359 L CB 1.377 43.484 42.059 0.080 0.000 1.232 359 L HN 0.329 nan 8.230 nan 0.000 0.413 360 P HA 0.026 nan 4.420 nan 0.000 0.261 360 P C -0.111 177.045 177.300 -0.239 0.000 1.183 360 P CA 0.093 62.972 63.100 -0.368 0.000 0.761 360 P CB 0.824 32.405 31.700 -0.199 0.000 0.785 361 K N 2.046 122.182 120.400 -0.440 0.000 2.319 361 K HA 0.023 4.344 4.320 0.001 0.000 0.265 361 K C 0.590 177.078 176.600 -0.187 0.000 1.000 361 K CA -0.264 55.806 56.287 -0.362 0.000 0.943 361 K CB 0.251 32.470 32.500 -0.469 0.000 0.950 361 K HN 0.402 nan 8.250 nan 0.000 0.485 362 E N 0.730 120.921 120.200 -0.015 0.000 2.820 362 E HA -0.112 4.239 4.350 0.001 0.000 0.251 362 E C 0.594 177.184 176.600 -0.016 0.000 0.944 362 E CA 1.615 58.026 56.400 0.019 0.000 0.955 362 E CB -0.415 29.333 29.700 0.080 0.000 0.904 362 E HN 0.707 nan 8.360 nan 0.000 0.513 363 G N 2.759 111.542 108.800 -0.028 0.000 2.141 363 G HA2 -0.220 3.740 3.960 0.001 0.000 0.242 363 G HA3 -0.220 3.740 3.960 0.001 0.000 0.242 363 G C -0.062 174.783 174.900 -0.093 0.000 0.982 363 G CA 0.001 45.098 45.100 -0.005 0.000 0.662 363 G HN 0.561 nan 8.290 nan 0.000 0.527 364 V N 0.562 120.341 119.914 -0.226 0.000 2.439 364 V HA 0.678 4.799 4.120 0.001 0.000 0.282 364 V C 0.543 176.559 176.094 -0.130 0.000 1.039 364 V CA -0.629 61.486 62.300 -0.309 0.000 0.913 364 V CB 1.497 32.998 31.823 -0.536 0.000 0.983 364 V HN 0.324 nan 8.190 nan 0.000 0.460 365 R N 4.771 125.249 120.500 -0.036 0.000 2.295 365 R HA 0.731 5.071 4.340 0.001 0.000 0.324 365 R C -0.937 175.388 176.300 0.041 0.000 0.968 365 R CA -0.377 55.733 56.100 0.017 0.000 0.837 365 R CB 1.088 31.417 30.300 0.047 0.000 1.133 365 R HN 0.681 nan 8.270 nan 0.000 0.450 366 L N -1.341 119.904 121.223 0.037 0.000 2.370 366 L HA 0.704 5.045 4.340 0.001 0.000 0.266 366 L C -0.586 176.326 176.870 0.070 0.000 1.002 366 L CA -0.916 53.979 54.840 0.092 0.000 0.818 366 L CB 2.057 44.206 42.059 0.150 0.000 1.325 366 L HN 0.269 nan 8.230 nan 0.000 0.418 367 D N 2.177 122.637 120.400 0.101 0.000 2.467 367 D HA 0.424 5.065 4.640 0.001 0.000 0.220 367 D C -1.910 174.422 176.300 0.053 0.000 1.103 367 D CA -2.145 51.891 54.000 0.059 0.000 0.886 367 D CB 1.560 42.411 40.800 0.085 0.000 1.025 367 D HN 0.351 nan 8.370 nan 0.000 0.514 368 P HA -0.176 nan 4.420 nan 0.000 0.215 368 P C 1.413 178.668 177.300 -0.076 0.000 1.157 368 P CA 1.350 64.352 63.100 -0.164 0.000 0.868 368 P CB 0.113 31.387 31.700 -0.710 0.000 0.788 369 S N -0.472 115.172 115.700 -0.094 0.000 2.383 369 S HA -0.132 4.339 4.470 0.001 0.000 0.227 369 S C 2.152 176.779 174.600 0.046 0.000 1.026 369 S CA 1.575 59.763 58.200 -0.021 0.000 0.981 369 S CB -1.654 61.528 63.200 -0.030 0.000 0.818 369 S HN 0.280 nan 8.310 nan 0.000 0.472 370 S N 1.821 117.576 115.700 0.091 0.000 2.406 370 S HA 0.050 4.521 4.470 0.001 0.000 0.228 370 S C 1.832 176.473 174.600 0.068 0.000 1.020 370 S CA 0.755 59.058 58.200 0.171 0.000 0.965 370 S CB -0.738 62.648 63.200 0.310 0.000 0.798 370 S HN 0.390 nan 8.310 nan 0.000 0.488 371 L N 2.100 123.374 121.223 0.086 0.000 2.027 371 L HA 0.070 4.410 4.340 0.001 0.000 0.206 371 L C 2.455 179.317 176.870 -0.014 0.000 1.074 371 L CA 1.465 56.303 54.840 -0.003 0.000 0.745 371 L CB -0.852 41.307 42.059 0.167 0.000 0.898 371 L HN 0.227 nan 8.230 nan 0.000 0.433 372 V N -0.383 119.549 119.914 0.031 0.000 2.332 372 V HA -0.355 3.766 4.120 0.001 0.000 0.248 372 V C 2.611 178.703 176.094 -0.003 0.000 1.055 372 V CA 2.077 64.392 62.300 0.026 0.000 1.038 372 V CB -0.762 31.110 31.823 0.081 0.000 0.651 372 V HN 0.562 nan 8.190 nan 0.000 0.450 373 Q N -1.175 118.634 119.800 0.015 0.000 2.061 373 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 373 Q C 2.183 178.189 176.000 0.010 0.000 0.984 373 Q CA 2.369 58.188 55.803 0.027 0.000 0.846 373 Q CB -0.288 28.491 28.738 0.068 0.000 0.902 373 Q HN 0.868 nan 8.270 nan 0.000 0.421 374 W N 1.039 122.167 121.300 -0.288 0.000 2.358 374 W HA -0.211 4.450 4.660 0.001 0.000 0.303 374 W C 1.451 177.845 176.519 -0.209 0.000 1.208 374 W CA 0.976 58.105 57.345 -0.359 0.000 1.274 374 W CB -0.184 28.743 29.460 -0.889 0.000 1.138 374 W HN 0.158 nan 8.180 nan 0.000 0.515 375 L N 1.211 122.209 121.223 -0.375 0.000 2.083 375 L HA -0.268 4.072 4.340 0.001 0.000 0.209 375 L C 1.973 178.644 176.870 -0.333 0.000 1.083 375 L CA 1.383 55.969 54.840 -0.423 0.000 0.752 375 L CB -1.040 40.887 42.059 -0.220 0.000 0.899 375 L HN -0.027 nan 8.230 nan 0.000 0.433 376 N N -0.145 118.433 118.700 -0.204 0.000 2.461 376 N HA -0.011 4.730 4.740 0.001 0.000 0.188 376 N C 0.663 176.092 175.510 -0.134 0.000 1.134 376 N CA 0.298 53.267 53.050 -0.135 0.000 0.878 376 N CB 0.036 38.489 38.487 -0.055 0.000 0.972 376 N HN 0.324 nan 8.380 nan 0.000 0.456 377 S N 0.298 115.877 115.700 -0.202 0.000 2.593 377 S HA 0.151 4.622 4.470 0.001 0.000 0.269 377 S C 1.226 175.742 174.600 -0.140 0.000 1.334 377 S CA -0.453 57.667 58.200 -0.134 0.000 1.015 377 S CB 1.614 64.757 63.200 -0.095 0.000 0.912 377 S HN -0.027 nan 8.310 nan 0.000 0.541 378 E N 1.678 121.843 120.200 -0.058 0.000 2.110 378 E HA -0.112 4.239 4.350 0.001 0.000 0.193 378 E C 2.394 178.965 176.600 -0.049 0.000 0.988 378 E CA 1.523 57.898 56.400 -0.042 0.000 0.804 378 E CB -1.132 28.566 29.700 -0.004 0.000 0.745 378 E HN 0.836 nan 8.360 nan 0.000 0.458 379 A N 1.063 123.863 122.820 -0.034 0.000 1.917 379 A HA -0.239 4.082 4.320 0.001 0.000 0.219 379 A C 2.218 179.732 177.584 -0.117 0.000 1.182 379 A CA 2.269 54.301 52.037 -0.008 0.000 0.633 379 A CB -0.458 18.626 19.000 0.140 0.000 0.819 379 A HN 0.237 nan 8.150 nan 0.000 0.448 380 M N -0.700 118.688 119.600 -0.353 0.000 2.200 380 M HA -0.095 4.386 4.480 0.001 0.000 0.265 380 M C 1.974 178.190 176.300 -0.140 0.000 1.066 380 M CA 1.565 56.632 55.300 -0.388 0.000 1.127 380 M CB -0.464 31.715 32.600 -0.702 0.000 1.379 380 M HN 0.401 nan 8.290 nan 0.000 0.420 381 Q N 0.067 119.791 119.800 -0.127 0.000 2.119 381 Q HA -0.186 4.155 4.340 0.001 0.000 0.201 381 Q C 2.147 178.123 176.000 -0.039 0.000 0.972 381 Q CA 1.517 57.276 55.803 -0.074 0.000 0.847 381 Q CB -0.753 27.942 28.738 -0.071 0.000 0.903 381 Q HN 0.608 nan 8.270 nan 0.000 0.433 382 K N -0.109 120.280 120.400 -0.018 0.000 2.097 382 K HA -0.190 4.130 4.320 0.001 0.000 0.205 382 K C 2.045 178.658 176.600 0.021 0.000 1.050 382 K CA 1.109 57.395 56.287 -0.001 0.000 0.938 382 K CB -0.065 32.446 32.500 0.019 0.000 0.718 382 K HN 0.191 nan 8.250 nan 0.000 0.442 383 H N 0.541 119.584 119.070 -0.045 0.000 2.290 383 H HA -0.122 4.435 4.556 0.001 0.000 0.298 383 H C 1.803 177.114 175.328 -0.029 0.000 1.087 383 H CA 2.495 58.528 56.048 -0.025 0.000 1.291 383 H CB -0.199 29.554 29.762 -0.014 0.000 1.369 383 H HN 0.088 nan 8.280 nan 0.000 0.492 384 V N -0.720 119.150 119.914 -0.072 0.000 2.453 384 V HA -0.077 4.044 4.120 0.001 0.000 0.247 384 V C 2.452 178.515 176.094 -0.051 0.000 1.048 384 V CA 1.957 64.253 62.300 -0.006 0.000 1.049 384 V CB -0.748 31.135 31.823 0.099 0.000 0.672 384 V HN 0.303 nan 8.190 nan 0.000 0.457 385 R N 1.322 121.765 120.500 -0.095 0.000 2.092 385 R HA -0.074 4.267 4.340 0.001 0.000 0.231 385 R C 2.118 178.280 176.300 -0.230 0.000 1.119 385 R CA 2.353 58.366 56.100 -0.146 0.000 0.970 385 R CB -1.384 28.851 30.300 -0.109 0.000 0.864 385 R HN 0.568 nan 8.270 nan 0.000 0.440 386 T N 1.105 115.536 114.554 -0.204 0.000 2.643 386 T HA -0.069 4.281 4.350 0.001 0.000 0.264 386 T C 1.741 176.255 174.700 -0.311 0.000 1.045 386 T CA 1.654 63.628 62.100 -0.210 0.000 1.155 386 T CB -0.258 68.554 68.868 -0.093 0.000 0.863 386 T HN 0.133 nan 8.240 nan 0.000 0.420 387 L N -0.745 120.209 121.223 -0.448 0.000 2.046 387 L HA -0.104 4.237 4.340 0.001 0.000 0.208 387 L C 1.908 178.306 176.870 -0.787 0.000 1.077 387 L CA 1.587 55.999 54.840 -0.714 0.000 0.747 387 L CB -0.316 40.999 42.059 -1.240 0.000 0.896 387 L HN 0.367 nan 8.230 nan 0.000 0.432 388 Y N -2.216 117.850 120.300 -0.391 0.000 2.500 388 Y HA 0.239 4.789 4.550 0.001 0.000 0.246 388 Y C 1.291 176.486 175.900 -1.176 0.000 1.146 388 Y CA -0.913 56.776 58.100 -0.684 0.000 1.230 388 Y CB 0.131 38.374 38.460 -0.362 0.000 1.214 388 Y HN -0.015 nan 8.280 nan 0.000 0.526 389 R N 0.847 120.920 120.500 -0.712 0.000 3.772 389 R HA -0.275 4.066 4.340 0.001 0.000 0.480 389 R C -0.061 175.990 176.300 -0.415 0.000 0.241 389 R CA 2.001 57.717 56.100 -0.641 0.000 1.508 389 R CB -1.440 28.326 30.300 -0.889 0.000 0.956 389 R HN 0.445 nan 8.270 nan 0.000 0.583 390 D N 0.186 120.422 120.400 -0.273 0.000 2.696 390 D HA 0.135 4.776 4.640 0.001 0.000 0.269 390 D C 1.002 177.369 176.300 0.113 0.000 1.319 390 D CA -0.213 53.752 54.000 -0.057 0.000 0.826 390 D CB -0.140 40.672 40.800 0.019 0.000 1.086 390 D HN 0.198 nan 8.370 nan 0.000 0.481 391 F N 1.524 121.517 119.950 0.071 0.000 2.091 391 F HA -0.085 4.444 4.527 0.002 0.000 0.299 391 F C 1.547 177.365 175.800 0.030 0.000 1.103 391 F CA 0.555 58.592 58.000 0.060 0.000 1.228 391 F CB -0.951 38.071 39.000 0.036 0.000 0.984 391 F HN 0.054 nan 8.300 nan 0.000 0.477 392 V N -3.630 116.413 119.914 0.214 0.000 2.962 392 V HA 0.505 4.626 4.120 0.001 0.000 0.313 392 V C -2.464 173.643 176.094 0.023 0.000 1.099 392 V CA -1.879 60.507 62.300 0.144 0.000 0.971 392 V CB 2.018 33.973 31.823 0.219 0.000 1.028 392 V HN -0.123 nan 8.190 nan 0.000 0.430 393 P HA 0.358 nan 4.420 nan 0.000 0.235 393 P C -0.593 176.353 177.300 -0.590 0.000 1.725 393 P CA 0.419 63.330 63.100 -0.315 0.000 0.894 393 P CB -0.653 30.831 31.700 -0.361 0.000 1.704 394 H N -1.129 117.876 119.070 -0.108 0.000 3.016 394 H HA 0.459 5.016 4.556 0.002 0.000 0.362 394 H C -0.994 174.292 175.328 -0.069 0.000 1.233 394 H CA -0.946 54.995 56.048 -0.179 0.000 1.124 394 H CB 1.524 31.118 29.762 -0.281 0.000 1.850 394 H HN -0.096 nan 8.280 nan 0.000 0.549 395 L N 2.487 123.809 121.223 0.165 0.000 2.257 395 L HA 0.372 4.713 4.340 0.001 0.000 0.290 395 L C 0.157 177.254 176.870 0.378 0.000 1.044 395 L CA -0.112 54.820 54.840 0.154 0.000 0.810 395 L CB 0.422 42.554 42.059 0.122 0.000 1.193 395 L HN 0.844 nan 8.230 nan 0.000 0.425 396 T N 1.402 116.058 114.554 0.171 0.000 2.881 396 T HA 0.227 4.577 4.350 0.001 0.000 0.278 396 T C 1.080 175.768 174.700 -0.020 0.000 0.982 396 T CA -0.514 61.730 62.100 0.241 0.000 0.989 396 T CB 0.938 69.869 68.868 0.105 0.000 1.058 396 T HN 0.595 nan 8.240 nan 0.000 0.529 397 L N 0.590 121.811 121.223 -0.005 0.000 2.079 397 L HA 0.007 4.348 4.340 0.001 0.000 0.210 397 L C 2.610 179.388 176.870 -0.153 0.000 1.081 397 L CA 1.610 56.322 54.840 -0.213 0.000 0.752 397 L CB -0.713 41.336 42.059 -0.016 0.000 0.896 397 L HN 0.575 nan 8.230 nan 0.000 0.433 398 R N -0.840 119.615 120.500 -0.075 0.000 2.148 398 R HA -0.040 4.301 4.340 0.001 0.000 0.227 398 R C 2.054 178.307 176.300 -0.078 0.000 1.103 398 R CA 1.605 57.677 56.100 -0.046 0.000 0.983 398 R CB -0.597 29.704 30.300 0.002 0.000 0.874 398 R HN 0.492 nan 8.270 nan 0.000 0.451 399 M N -0.132 119.351 119.600 -0.194 0.000 2.160 399 M HA -0.093 4.388 4.480 0.001 0.000 0.264 399 M C 2.145 178.362 176.300 -0.138 0.000 1.073 399 M CA 1.034 56.167 55.300 -0.279 0.000 1.142 399 M CB -0.366 31.888 32.600 -0.576 0.000 1.358 399 M HN -0.000 nan 8.290 nan 0.000 0.422 400 L N 1.554 122.646 121.223 -0.217 0.000 2.046 400 L HA -0.208 4.133 4.340 0.001 0.000 0.208 400 L C 2.415 179.197 176.870 -0.146 0.000 1.077 400 L CA 2.086 56.778 54.840 -0.247 0.000 0.747 400 L CB -0.733 41.005 42.059 -0.534 0.000 0.896 400 L HN 0.446 nan 8.230 nan 0.000 0.432 401 E N -1.126 119.002 120.200 -0.120 0.000 2.268 401 E HA -0.221 4.130 4.350 0.001 0.000 0.195 401 E C 1.848 178.463 176.600 0.026 0.000 0.995 401 E CA 0.859 57.236 56.400 -0.039 0.000 0.836 401 E CB -0.389 29.295 29.700 -0.027 0.000 0.763 401 E HN 0.508 nan 8.360 nan 0.000 0.491 402 R N 0.678 121.207 120.500 0.049 0.000 2.310 402 R HA 0.225 4.566 4.340 0.001 0.000 0.202 402 R C 0.307 176.699 176.300 0.153 0.000 0.933 402 R CA -0.091 56.076 56.100 0.111 0.000 1.054 402 R CB 0.034 30.426 30.300 0.152 0.000 0.985 402 R HN 0.220 nan 8.270 nan 0.000 0.489 403 L N 3.335 124.633 121.223 0.124 0.000 2.410 403 L HA 0.164 4.505 4.340 0.001 0.000 0.273 403 L C -2.158 174.817 176.870 0.174 0.000 1.144 403 L CA -1.839 53.090 54.840 0.148 0.000 0.863 403 L CB 0.294 42.396 42.059 0.072 0.000 1.140 403 L HN -0.260 nan 8.230 nan 0.000 0.463 404 P HA 0.197 nan 4.420 nan 0.000 0.285 404 P C -0.938 176.558 177.300 0.327 0.000 1.259 404 P CA -0.263 62.964 63.100 0.212 0.000 0.794 404 P CB 1.361 33.151 31.700 0.150 0.000 0.940 405 V N 4.334 124.375 119.914 0.212 0.000 2.398 405 V HA 0.303 4.424 4.120 0.001 0.000 0.282 405 V C 0.788 176.937 176.094 0.091 0.000 1.014 405 V CA -0.745 61.686 62.300 0.218 0.000 0.838 405 V CB 0.893 32.884 31.823 0.281 0.000 1.018 405 V HN 0.563 nan 8.190 nan 0.000 0.432 406 R N 4.019 124.513 120.500 -0.011 0.000 2.783 406 R HA 0.414 4.755 4.340 0.001 0.000 0.276 406 R C 0.860 177.089 176.300 -0.120 0.000 1.223 406 R CA -0.441 55.590 56.100 -0.115 0.000 1.173 406 R CB 0.781 30.943 30.300 -0.229 0.000 1.157 406 R HN 0.451 nan 8.270 nan 0.000 0.600 407 R N -0.175 120.251 120.500 -0.124 0.000 2.235 407 R HA -0.052 4.289 4.340 0.001 0.000 0.213 407 R C 1.851 178.098 176.300 -0.087 0.000 1.059 407 R CA 0.637 56.742 56.100 0.008 0.000 0.997 407 R CB -0.099 30.276 30.300 0.125 0.000 0.884 407 R HN 0.646 nan 8.270 nan 0.000 0.462 408 E N 0.196 120.167 120.200 -0.382 0.000 2.118 408 E HA -0.180 4.171 4.350 0.001 0.000 0.195 408 E C 1.139 177.489 176.600 -0.416 0.000 0.992 408 E CA 1.561 57.630 56.400 -0.553 0.000 0.804 408 E CB 0.120 29.203 29.700 -1.029 0.000 0.741 408 E HN 0.416 nan 8.360 nan 0.000 0.458 409 Y N -1.254 119.050 120.300 0.006 0.000 2.506 409 Y HA 0.352 4.903 4.550 0.001 0.000 0.287 409 Y C 1.353 177.310 175.900 0.095 0.000 1.147 409 Y CA 0.339 58.469 58.100 0.050 0.000 1.241 409 Y CB 0.127 38.622 38.460 0.059 0.000 1.279 409 Y HN -0.119 nan 8.280 nan 0.000 0.527 410 G N -0.286 108.657 108.800 0.240 0.000 2.707 410 G HA2 0.487 4.448 3.960 0.001 0.000 0.299 410 G HA3 0.487 4.448 3.960 0.001 0.000 0.299 410 G C -2.069 172.927 174.900 0.160 0.000 1.442 410 G CA -0.376 44.841 45.100 0.195 0.000 1.009 410 G HN 0.017 nan 8.290 nan 0.000 0.515 411 F N 2.989 122.942 119.950 0.004 0.000 2.536 411 F HA 0.425 4.952 4.527 0.001 0.000 0.322 411 F C -0.369 175.437 175.800 0.009 0.000 1.144 411 F CA -0.949 57.056 58.000 0.008 0.000 0.924 411 F CB 1.866 40.861 39.000 -0.007 0.000 1.181 411 F HN 0.455 nan 8.300 nan 0.000 0.438 412 H N 4.404 123.392 119.070 -0.137 0.000 2.668 412 H HA 0.311 4.868 4.556 0.001 0.000 0.303 412 H C -0.117 175.261 175.328 0.083 0.000 1.074 412 H CA 0.172 56.193 56.048 -0.044 0.000 1.406 412 H CB 1.140 30.822 29.762 -0.133 0.000 1.442 412 H HN 0.772 nan 8.280 nan 0.000 0.482 413 T N 0.000 114.829 114.554 0.458 0.000 3.816 413 T HA 0.000 4.351 4.350 0.001 0.000 0.228 413 T CA 0.000 62.322 62.100 0.370 0.000 1.349 413 T CB 0.000 69.016 68.868 0.247 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658