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 1wuk_1_L DATA FIRST_RESID 19 DATA SEQUENCE SSYSGPIVVD PVTRIEGHLR IEVEVENGKV KNAYSSSTLF RGLEIILKGR DATA SEQUENCE DPRDAQHFTQ RTCGVCTYTH ALASTRCVDN AVGVHIPKNA TYIRNLVLGA DATA SEQUENCE QYLHDHIVHF YHLHALDFVD VTAALKADPA KAAKVASSIS PRKTTAADLK DATA SEQUENCE AVQDKLKTFV ETGQLGPFTN AYFLGGHPAY YLDPETNLIA TAHYLEALRL DATA SEQUENCE QVKAARAMAV FGAKNPHTQF TVVGGVTCYD ALTPQRIAEF EALWKETKAF DATA SEQUENCE VDEVYIPDLL VVAAAYKDWT QYGGTDNFIT FGEFPKDEYD LNSRFFKPGV DATA SEQUENCE VFKRDFKNIK PFDKMQIEEH VRHSWYEGAE ARHPWKGQTQ PKYTDLHGDD DATA SEQUENCE RYSWMKAPRY MGEPMETGPL AQVLIAYSQG HPKVKAVTDA VLAKLGVGPE DATA SEQUENCE ALFSTLGRTA ARGIETAVIA EYVGVMLQEY KDNIAKGDNV ICAPWEMPKQ DATA SEQUENCE AEGVGFVNAP RGGLSHWIRI EDGKIGNFQL VVPSTWTLGP RCDKNKLSPV DATA SEQUENCE EASLIGTPVA DAKRPVEILR TVHSFDPXIA CGVH 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.650 174.600 0.083 0.000 1.055 19 S CA 0.000 58.231 58.200 0.052 0.000 1.107 19 S CB 0.000 63.221 63.200 0.034 0.000 0.593 20 S N 2.030 117.773 115.700 0.072 0.000 2.519 20 S HA 0.339 4.809 4.470 0.000 0.000 0.320 20 S C -0.279 174.381 174.600 0.099 0.000 1.179 20 S CA -0.293 57.955 58.200 0.080 0.000 1.173 20 S CB -0.415 62.811 63.200 0.043 0.000 1.224 20 S HN 0.400 nan 8.310 nan 0.000 0.542 21 Y N 3.407 123.708 120.300 0.001 0.000 2.411 21 Y HA 0.377 4.927 4.550 0.000 0.000 0.333 21 Y C 0.056 175.956 175.900 0.001 0.000 1.186 21 Y CA -0.005 58.096 58.100 0.001 0.000 1.381 21 Y CB 0.672 39.132 38.460 0.001 0.000 1.273 21 Y HN 0.666 nan 8.280 nan 0.000 0.546 22 S N 3.545 118.815 115.700 -0.718 0.000 2.502 22 S HA 0.849 5.319 4.470 0.000 0.000 0.304 22 S C -0.291 173.693 174.600 -1.028 0.000 1.097 22 S CA -0.077 57.737 58.200 -0.643 0.000 1.045 22 S CB 1.304 64.322 63.200 -0.303 0.000 1.019 22 S HN 1.261 nan 8.310 nan 0.000 0.481 23 G N 3.173 111.582 108.800 -0.651 0.000 2.362 23 G HA2 0.235 4.195 3.960 0.000 0.000 0.288 23 G HA3 0.235 4.195 3.960 0.000 0.000 0.288 23 G C -3.636 171.298 174.900 0.056 0.000 1.305 23 G CA -0.853 44.052 45.100 -0.325 0.000 0.910 23 G HN 0.466 nan 8.290 nan 0.000 0.518 24 P HA 0.669 nan 4.420 nan 0.000 0.279 24 P C -0.600 176.853 177.300 0.255 0.000 1.252 24 P CA -0.321 62.887 63.100 0.179 0.000 0.811 24 P CB 1.438 33.201 31.700 0.105 0.000 1.035 25 I N 0.791 121.462 120.570 0.169 0.000 2.582 25 I HA 0.354 4.524 4.170 0.000 0.000 0.292 25 I C -0.498 175.676 176.117 0.094 0.000 1.066 25 I CA -1.172 60.188 61.300 0.100 0.000 1.053 25 I CB 2.539 40.576 38.000 0.061 0.000 1.241 25 I HN -0.022 nan 8.210 nan 0.000 0.421 26 V N 6.366 126.329 119.914 0.082 0.000 2.495 26 V HA 0.444 4.564 4.120 0.000 0.000 0.298 26 V C -0.345 175.806 176.094 0.095 0.000 1.031 26 V CA -0.686 61.671 62.300 0.094 0.000 0.871 26 V CB 2.323 34.201 31.823 0.092 0.000 0.988 26 V HN 0.408 nan 8.190 nan 0.000 0.432 27 V N 3.592 123.571 119.914 0.108 0.000 2.326 27 V HA 0.575 4.695 4.120 0.000 0.000 0.281 27 V C -0.864 175.301 176.094 0.119 0.000 1.015 27 V CA -0.270 62.101 62.300 0.118 0.000 0.823 27 V CB 1.402 33.299 31.823 0.123 0.000 1.009 27 V HN 0.930 nan 8.190 nan 0.000 0.436 28 D N 5.572 126.043 120.400 0.117 0.000 2.365 28 D HA 0.424 5.064 4.640 0.000 0.000 0.235 28 D C -2.422 173.945 176.300 0.112 0.000 1.368 28 D CA -0.668 53.405 54.000 0.123 0.000 1.001 28 D CB 2.420 43.295 40.800 0.125 0.000 1.364 28 D HN 0.418 nan 8.370 nan 0.000 0.577 29 P HA 0.336 nan 4.420 nan 0.000 0.284 29 P C -0.411 176.958 177.300 0.115 0.000 1.253 29 P CA -0.596 62.583 63.100 0.131 0.000 0.800 29 P CB 1.327 33.108 31.700 0.135 0.000 0.961 30 V N 3.215 123.202 119.914 0.121 0.000 2.415 30 V HA 0.119 4.239 4.120 0.000 0.000 0.267 30 V C 1.325 177.493 176.094 0.122 0.000 1.042 30 V CA 0.066 62.430 62.300 0.106 0.000 1.000 30 V CB -0.008 31.871 31.823 0.094 0.000 1.015 30 V HN 0.869 nan 8.190 nan 0.000 0.478 31 T N 2.440 117.067 114.554 0.121 0.000 2.862 31 T HA 0.529 4.880 4.350 0.000 0.000 0.276 31 T C 0.549 175.363 174.700 0.189 0.000 0.974 31 T CA -0.768 61.397 62.100 0.108 0.000 0.966 31 T CB 0.574 69.468 68.868 0.044 0.000 1.072 31 T HN 0.621 nan 8.240 nan 0.000 0.538 32 R N -0.137 120.408 120.500 0.076 0.000 3.422 32 R HA -0.135 4.205 4.340 0.000 0.000 0.267 32 R C -0.049 176.260 176.300 0.014 0.000 1.074 32 R CA 0.848 56.932 56.100 -0.027 0.000 0.718 32 R CB -2.199 27.984 30.300 -0.196 0.000 1.157 32 R HN 0.804 nan 8.270 nan 0.000 0.440 33 I N -4.650 115.986 120.570 0.111 0.000 3.264 33 I HA 0.557 4.727 4.170 0.000 0.000 0.315 33 I C -0.120 176.041 176.117 0.073 0.000 1.154 33 I CA -1.216 60.166 61.300 0.137 0.000 0.962 33 I CB 1.943 40.054 38.000 0.184 0.000 1.265 33 I HN -0.214 nan 8.210 nan 0.000 0.463 34 E N 1.696 121.942 120.200 0.077 0.000 2.259 34 E HA 0.551 4.901 4.350 0.000 0.000 0.281 34 E C 0.148 176.746 176.600 -0.003 0.000 1.027 34 E CA 0.989 57.409 56.400 0.034 0.000 0.838 34 E CB 1.147 30.886 29.700 0.065 0.000 1.066 34 E HN 1.023 nan 8.360 nan 0.000 0.401 35 G N 4.074 112.797 108.800 -0.128 0.000 2.615 35 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 35 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 35 G C -1.023 173.681 174.900 -0.326 0.000 1.339 35 G CA -0.264 44.679 45.100 -0.263 0.000 0.884 35 G HN 0.745 nan 8.290 nan 0.000 0.559 36 H N -0.714 118.428 119.070 0.121 0.000 2.725 36 H HA 0.611 5.168 4.556 0.000 0.000 0.283 36 H C -0.155 175.269 175.328 0.160 0.000 1.110 36 H CA -0.512 55.615 56.048 0.131 0.000 1.289 36 H CB 1.413 31.251 29.762 0.127 0.000 1.400 36 H HN 0.548 nan 8.280 nan 0.000 0.493 37 L N 2.650 124.010 121.223 0.229 0.000 2.365 37 L HA 0.492 4.832 4.340 0.000 0.000 0.273 37 L C -0.720 176.262 176.870 0.188 0.000 1.000 37 L CA -0.718 54.242 54.840 0.200 0.000 0.819 37 L CB 1.585 43.737 42.059 0.156 0.000 1.284 37 L HN 0.542 nan 8.230 nan 0.000 0.418 38 R N 5.747 126.362 120.500 0.191 0.000 2.393 38 R HA 0.581 4.921 4.340 0.000 0.000 0.315 38 R C -1.552 174.843 176.300 0.158 0.000 0.952 38 R CA -0.654 55.548 56.100 0.171 0.000 0.842 38 R CB 0.931 31.343 30.300 0.187 0.000 1.163 38 R HN 0.612 nan 8.270 nan 0.000 0.450 39 I N 4.036 124.688 120.570 0.137 0.000 2.354 39 I HA 0.283 4.453 4.170 0.000 0.000 0.292 39 I C -0.223 175.974 176.117 0.133 0.000 0.989 39 I CA -0.490 60.887 61.300 0.129 0.000 1.188 39 I CB 1.846 39.908 38.000 0.104 0.000 1.342 39 I HN 0.691 nan 8.210 nan 0.000 0.457 40 E N 5.634 125.927 120.200 0.155 0.000 2.187 40 E HA 0.592 4.942 4.350 0.000 0.000 0.268 40 E C -0.899 175.804 176.600 0.171 0.000 0.896 40 E CA -0.666 55.833 56.400 0.166 0.000 0.766 40 E CB 2.890 32.704 29.700 0.190 0.000 1.142 40 E HN 0.445 nan 8.360 nan 0.000 0.408 41 V N -0.555 119.439 119.914 0.135 0.000 3.040 41 V HA 0.557 4.677 4.120 0.000 0.000 0.312 41 V C -0.723 175.436 176.094 0.108 0.000 1.115 41 V CA -1.008 61.357 62.300 0.107 0.000 0.998 41 V CB 2.063 33.935 31.823 0.082 0.000 1.042 41 V HN 0.604 nan 8.190 nan 0.000 0.433 42 E N 1.477 121.723 120.200 0.077 0.000 2.166 42 E HA 0.684 5.034 4.350 0.000 0.000 0.275 42 E C -1.318 175.310 176.600 0.047 0.000 0.941 42 E CA -0.754 55.681 56.400 0.058 0.000 0.784 42 E CB 2.365 32.084 29.700 0.032 0.000 1.115 42 E HN 0.637 nan 8.360 nan 0.000 0.399 43 V N 2.502 122.448 119.914 0.054 0.000 2.555 43 V HA 0.354 4.474 4.120 0.000 0.000 0.302 43 V C -0.357 175.716 176.094 -0.036 0.000 1.038 43 V CA -0.730 61.602 62.300 0.054 0.000 0.887 43 V CB 1.676 33.615 31.823 0.194 0.000 0.991 43 V HN 0.695 nan 8.190 nan 0.000 0.434 44 E N 3.626 123.810 120.200 -0.026 0.000 2.218 44 E HA 0.417 4.767 4.350 0.000 0.000 0.263 44 E C -0.227 176.355 176.600 -0.029 0.000 0.879 44 E CA -0.519 55.850 56.400 -0.051 0.000 0.762 44 E CB 0.752 30.429 29.700 -0.038 0.000 1.166 44 E HN 0.654 nan 8.360 nan 0.000 0.415 45 N N 3.496 122.170 118.700 -0.042 0.000 2.727 45 N HA -0.231 4.509 4.740 0.000 0.000 0.249 45 N C 0.515 176.035 175.510 0.015 0.000 1.048 45 N CA 1.506 54.548 53.050 -0.014 0.000 0.714 45 N CB -1.276 37.204 38.487 -0.011 0.000 0.959 45 N HN 0.980 nan 8.380 nan 0.000 0.544 46 G N -1.532 107.294 108.800 0.043 0.000 2.179 46 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 46 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 46 G C -0.069 174.856 174.900 0.042 0.000 0.977 46 G CA 0.850 45.992 45.100 0.070 0.000 0.641 46 G HN 0.502 nan 8.290 nan 0.000 0.533 47 K N 0.038 120.453 120.400 0.025 0.000 2.422 47 K HA 0.573 4.893 4.320 0.000 0.000 0.251 47 K C 0.019 176.626 176.600 0.012 0.000 0.933 47 K CA -0.939 55.349 56.287 0.001 0.000 0.798 47 K CB 3.017 35.511 32.500 -0.010 0.000 1.238 47 K HN 0.017 nan 8.250 nan 0.000 0.428 48 V N 3.719 123.637 119.914 0.007 0.000 2.585 48 V HA -0.041 4.079 4.120 0.000 0.000 0.296 48 V C 1.288 177.383 176.094 0.002 0.000 1.035 48 V CA 0.586 62.897 62.300 0.018 0.000 1.084 48 V CB 0.459 32.296 31.823 0.023 0.000 0.953 48 V HN 0.834 nan 8.190 nan 0.000 0.483 49 K N 3.446 123.844 120.400 -0.003 0.000 2.380 49 K HA 0.289 4.609 4.320 0.000 0.000 0.198 49 K C 0.496 177.072 176.600 -0.039 0.000 1.070 49 K CA -0.072 56.204 56.287 -0.017 0.000 1.040 49 K CB 0.651 33.140 32.500 -0.018 0.000 0.903 49 K HN 0.642 nan 8.250 nan 0.000 0.549 50 N N -0.445 118.226 118.700 -0.048 0.000 2.859 50 N HA 0.481 5.221 4.740 0.000 0.000 0.250 50 N C -2.172 173.257 175.510 -0.136 0.000 1.341 50 N CA -0.655 52.325 53.050 -0.117 0.000 0.881 50 N CB 2.177 40.597 38.487 -0.113 0.000 1.516 50 N HN 0.185 nan 8.380 nan 0.000 0.503 51 A N 1.458 124.097 122.820 -0.303 0.000 2.594 51 A HA 0.670 4.990 4.320 0.000 0.000 0.295 51 A C -2.276 174.953 177.584 -0.592 0.000 1.071 51 A CA -0.349 51.539 52.037 -0.248 0.000 0.685 51 A CB 1.071 20.005 19.000 -0.110 0.000 1.285 51 A HN 0.585 nan 8.150 nan 0.000 0.405 52 Y N 0.174 120.408 120.300 -0.109 0.000 2.406 52 Y HA 0.609 5.159 4.550 0.000 0.000 0.340 52 Y C 0.499 176.385 175.900 -0.022 0.000 0.975 52 Y CA -0.487 57.486 58.100 -0.211 0.000 1.056 52 Y CB 2.669 40.848 38.460 -0.468 0.000 1.210 52 Y HN 0.582 nan 8.280 nan 0.000 0.448 53 S N 2.461 118.314 115.700 0.254 0.000 2.423 53 S HA 0.401 4.871 4.470 0.000 0.000 0.317 53 S C -0.650 174.128 174.600 0.297 0.000 1.065 53 S CA -0.374 57.960 58.200 0.222 0.000 1.111 53 S CB 0.213 63.491 63.200 0.130 0.000 0.968 53 S HN 0.578 nan 8.310 nan 0.000 0.474 54 S N 4.254 120.100 115.700 0.244 0.000 2.498 54 S HA 0.516 4.986 4.470 0.000 0.000 0.324 54 S C -0.474 174.255 174.600 0.215 0.000 1.071 54 S CA -0.563 57.763 58.200 0.211 0.000 1.113 54 S CB 0.564 63.891 63.200 0.212 0.000 0.976 54 S HN 0.623 nan 8.310 nan 0.000 0.462 55 S N 3.362 119.190 115.700 0.213 0.000 2.452 55 S HA 0.327 4.797 4.470 0.000 0.000 0.284 55 S C 1.054 175.972 174.600 0.531 0.000 1.171 55 S CA -0.561 57.829 58.200 0.317 0.000 1.064 55 S CB 1.146 64.515 63.200 0.281 0.000 0.967 55 S HN 0.879 nan 8.310 nan 0.000 0.484 56 T N 0.445 115.306 114.554 0.513 0.000 3.182 56 T HA 0.383 4.733 4.350 0.000 0.000 0.277 56 T C -0.160 174.803 174.700 0.438 0.000 1.013 56 T CA -0.300 62.145 62.100 0.575 0.000 0.900 56 T CB -0.326 68.767 68.868 0.375 0.000 1.098 56 T HN 0.332 nan 8.240 nan 0.000 0.543 57 L N 1.161 122.601 121.223 0.362 0.000 2.385 57 L HA 0.838 5.178 4.340 0.000 0.000 0.273 57 L C -1.747 175.092 176.870 -0.051 0.000 0.990 57 L CA -1.463 53.431 54.840 0.091 0.000 0.821 57 L CB 1.955 44.103 42.059 0.148 0.000 1.279 57 L HN 0.242 nan 8.230 nan 0.000 0.412 58 F N 4.401 123.981 119.950 -0.617 0.000 2.520 58 F HA 0.620 5.147 4.527 0.000 0.000 0.322 58 F C 0.570 176.134 175.800 -0.393 0.000 1.103 58 F CA -0.321 57.281 58.000 -0.663 0.000 0.926 58 F CB 1.863 39.973 39.000 -1.483 0.000 1.154 58 F HN 0.636 nan 8.300 nan 0.000 0.453 59 R N 2.363 122.293 120.500 -0.950 0.000 2.276 59 R HA 0.310 4.650 4.340 0.000 0.000 0.195 59 R C 0.594 176.345 176.300 -0.915 0.000 0.908 59 R CA 0.345 56.031 56.100 -0.689 0.000 1.083 59 R CB 0.504 30.597 30.300 -0.345 0.000 1.182 59 R HN 0.958 nan 8.270 nan 0.000 0.608 60 G N 1.701 109.687 108.800 -1.357 0.000 2.204 60 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 60 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 60 G C 0.546 175.303 174.900 -0.239 0.000 1.062 60 G CA -0.003 44.639 45.100 -0.763 0.000 0.798 60 G HN 0.150 nan 8.290 nan 0.000 0.496 61 L N -0.771 120.343 121.223 -0.182 0.000 2.127 61 L HA -0.086 4.254 4.340 0.000 0.000 0.211 61 L C 2.728 179.562 176.870 -0.060 0.000 1.089 61 L CA 2.083 56.874 54.840 -0.082 0.000 0.757 61 L CB -0.389 41.636 42.059 -0.057 0.000 0.899 61 L HN 0.479 nan 8.230 nan 0.000 0.434 62 E N 0.444 120.658 120.200 0.022 0.000 2.106 62 E HA -0.186 4.164 4.350 0.000 0.000 0.192 62 E C 2.256 178.878 176.600 0.037 0.000 0.984 62 E CA 1.072 57.510 56.400 0.063 0.000 0.806 62 E CB -0.080 29.708 29.700 0.145 0.000 0.750 62 E HN 0.478 nan 8.360 nan 0.000 0.458 63 I N 0.823 121.424 120.570 0.052 0.000 2.179 63 I HA -0.274 3.896 4.170 0.000 0.000 0.242 63 I C 2.297 178.406 176.117 -0.013 0.000 1.088 63 I CA 1.106 62.435 61.300 0.050 0.000 1.357 63 I CB -0.256 37.806 38.000 0.104 0.000 1.051 63 I HN 0.096 nan 8.210 nan 0.000 0.409 64 I N 0.510 121.049 120.570 -0.052 0.000 2.286 64 I HA -0.293 3.877 4.170 0.000 0.000 0.248 64 I C 2.369 178.343 176.117 -0.239 0.000 1.115 64 I CA 1.433 62.671 61.300 -0.104 0.000 1.392 64 I CB -0.224 37.740 38.000 -0.061 0.000 1.065 64 I HN 0.217 nan 8.210 nan 0.000 0.418 65 L N 0.432 121.487 121.223 -0.280 0.000 2.275 65 L HA -0.125 4.215 4.340 0.000 0.000 0.215 65 L C 1.371 178.114 176.870 -0.211 0.000 1.119 65 L CA 0.469 55.077 54.840 -0.386 0.000 0.790 65 L CB -0.399 41.433 42.059 -0.378 0.000 0.919 65 L HN 0.134 nan 8.230 nan 0.000 0.443 66 K N 0.372 120.713 120.400 -0.098 0.000 2.484 66 K HA 0.108 4.428 4.320 0.000 0.000 0.280 66 K C 1.093 177.665 176.600 -0.048 0.000 1.013 66 K CA 0.920 57.186 56.287 -0.034 0.000 1.029 66 K CB 0.298 32.798 32.500 0.000 0.000 0.902 66 K HN 0.211 nan 8.250 nan 0.000 0.481 67 G N 3.185 111.972 108.800 -0.021 0.000 2.199 67 G HA2 -0.288 3.672 3.960 0.000 0.000 0.254 67 G HA3 -0.288 3.672 3.960 0.000 0.000 0.254 67 G C 0.071 174.957 174.900 -0.024 0.000 0.982 67 G CA 0.248 45.340 45.100 -0.014 0.000 0.632 67 G HN 0.639 nan 8.290 nan 0.000 0.529 68 R N 0.358 120.819 120.500 -0.064 0.000 2.541 68 R HA 0.437 4.777 4.340 0.000 0.000 0.263 68 R C -0.194 176.096 176.300 -0.017 0.000 1.112 68 R CA -0.534 55.524 56.100 -0.069 0.000 1.170 68 R CB 0.373 30.557 30.300 -0.194 0.000 1.167 68 R HN 0.184 nan 8.270 nan 0.000 0.582 69 D N 1.178 121.589 120.400 0.017 0.000 2.417 69 D HA 0.017 4.657 4.640 0.000 0.000 0.250 69 D C -1.651 174.687 176.300 0.063 0.000 1.166 69 D CA -1.836 52.201 54.000 0.062 0.000 0.881 69 D CB 1.214 42.068 40.800 0.090 0.000 1.164 69 D HN 0.129 nan 8.370 nan 0.000 0.467 70 P HA -0.112 nan 4.420 nan 0.000 0.217 70 P C 1.067 178.414 177.300 0.077 0.000 1.148 70 P CA 1.154 64.309 63.100 0.092 0.000 0.828 70 P CB 0.198 31.969 31.700 0.118 0.000 0.783 71 R N -0.661 119.914 120.500 0.124 0.000 2.193 71 R HA -0.103 4.237 4.340 0.000 0.000 0.229 71 R C 1.319 177.707 176.300 0.147 0.000 1.110 71 R CA 1.148 57.328 56.100 0.134 0.000 0.988 71 R CB -0.627 29.811 30.300 0.229 0.000 0.871 71 R HN 0.252 nan 8.270 nan 0.000 0.458 72 D N 0.404 120.900 120.400 0.159 0.000 2.317 72 D HA 0.009 4.649 4.640 0.000 0.000 0.211 72 D C 1.705 178.131 176.300 0.210 0.000 0.966 72 D CA 0.785 54.946 54.000 0.268 0.000 0.876 72 D CB -0.013 40.956 40.800 0.282 0.000 0.927 72 D HN 0.192 nan 8.370 nan 0.000 0.519 73 A N 1.571 124.382 122.820 -0.016 0.000 1.883 73 A HA -0.298 4.022 4.320 0.000 0.000 0.217 73 A C 2.169 179.665 177.584 -0.145 0.000 1.186 73 A CA 2.171 54.073 52.037 -0.224 0.000 0.624 73 A CB -0.836 17.872 19.000 -0.486 0.000 0.822 73 A HN 0.406 nan 8.150 nan 0.000 0.444 74 Q N -1.028 118.673 119.800 -0.164 0.000 2.181 74 Q HA -0.252 4.088 4.340 0.000 0.000 0.205 74 Q C 1.675 177.522 176.000 -0.255 0.000 0.980 74 Q CA 2.059 57.730 55.803 -0.221 0.000 0.862 74 Q CB -0.775 27.761 28.738 -0.337 0.000 0.905 74 Q HN 0.826 nan 8.270 nan 0.000 0.429 75 H N -0.576 118.504 119.070 0.017 0.000 2.357 75 H HA -0.017 4.539 4.556 0.000 0.000 0.301 75 H C 1.298 176.556 175.328 -0.117 0.000 1.082 75 H CA 1.618 57.633 56.048 -0.054 0.000 1.342 75 H CB -0.064 29.658 29.762 -0.067 0.000 1.389 75 H HN 0.202 nan 8.280 nan 0.000 0.511 76 F N 0.448 120.363 119.950 -0.059 0.000 2.084 76 F HA -0.190 4.337 4.527 0.000 0.000 0.296 76 F C 2.845 178.543 175.800 -0.170 0.000 1.111 76 F CA 1.600 59.527 58.000 -0.121 0.000 1.224 76 F CB -0.805 38.100 39.000 -0.157 0.000 0.991 76 F HN 0.227 nan 8.300 nan 0.000 0.471 77 T N -2.271 112.286 114.554 0.005 0.000 2.995 77 T HA -0.200 4.150 4.350 0.000 0.000 0.269 77 T C 1.834 176.504 174.700 -0.051 0.000 1.091 77 T CA 1.148 63.205 62.100 -0.071 0.000 1.128 77 T CB -0.549 68.297 68.868 -0.037 0.000 0.891 77 T HN 0.364 nan 8.240 nan 0.000 0.492 78 Q N 0.579 120.348 119.800 -0.051 0.000 2.181 78 Q HA -0.103 4.237 4.340 0.000 0.000 0.205 78 Q C 1.830 177.704 176.000 -0.210 0.000 0.980 78 Q CA 1.140 56.895 55.803 -0.080 0.000 0.862 78 Q CB -0.045 28.601 28.738 -0.153 0.000 0.905 78 Q HN 0.333 nan 8.270 nan 0.000 0.429 79 R N -0.417 119.926 120.500 -0.261 0.000 2.328 79 R HA 0.035 4.375 4.340 0.000 0.000 0.200 79 R C 1.698 177.962 176.300 -0.061 0.000 0.983 79 R CA 0.696 56.696 56.100 -0.167 0.000 1.062 79 R CB -0.461 29.754 30.300 -0.143 0.000 0.956 79 R HN 0.228 nan 8.270 nan 0.000 0.479 80 T N -0.876 113.592 114.554 -0.143 0.000 2.759 80 T HA -0.123 4.227 4.350 0.000 0.000 0.269 80 T C 0.750 175.431 174.700 -0.033 0.000 1.042 80 T CA 1.255 63.240 62.100 -0.192 0.000 1.140 80 T CB -0.115 68.359 68.868 -0.656 0.000 0.864 80 T HN 0.367 nan 8.240 nan 0.000 0.455 81 C N -0.052 119.300 119.300 0.088 0.000 3.046 81 C HA 0.609 5.069 4.460 0.000 0.000 0.388 81 C C 1.289 176.466 174.990 0.311 0.000 1.041 81 C CA -0.564 58.570 59.018 0.193 0.000 1.241 81 C CB 0.984 28.860 27.740 0.226 0.000 1.638 81 C HN 0.480 nan 8.230 nan 0.000 0.539 82 G N 2.731 111.656 108.800 0.208 0.000 2.986 82 G HA2 0.211 4.171 3.960 0.000 0.000 0.213 82 G HA3 0.211 4.171 3.960 0.000 0.000 0.213 82 G C 0.979 175.906 174.900 0.045 0.000 1.156 82 G CA 0.995 46.126 45.100 0.052 0.000 0.763 82 G HN 0.699 nan 8.290 nan 0.000 0.547 83 V N 1.372 121.347 119.914 0.102 0.000 2.256 83 V HA -0.103 4.017 4.120 0.000 0.000 0.240 83 V C 2.471 178.648 176.094 0.139 0.000 1.036 83 V CA 1.571 63.941 62.300 0.116 0.000 1.008 83 V CB -0.665 31.225 31.823 0.112 0.000 0.648 83 V HN 0.592 nan 8.190 nan 0.000 0.453 84 C N 1.169 120.556 119.300 0.145 0.000 3.093 84 C HA 0.366 4.826 4.460 0.000 0.000 0.515 84 C C 1.187 176.292 174.990 0.192 0.000 1.253 84 C CA -0.961 58.134 59.018 0.129 0.000 1.476 84 C CB -2.525 25.263 27.740 0.079 0.000 1.873 84 C HN 0.463 nan 8.230 nan 0.000 0.632 85 T N -0.469 114.213 114.554 0.213 0.000 2.791 85 T HA 0.129 4.479 4.350 0.000 0.000 0.323 85 T C 0.570 175.471 174.700 0.336 0.000 1.082 85 T CA 1.504 63.787 62.100 0.305 0.000 1.084 85 T CB 0.058 69.058 68.868 0.220 0.000 0.992 85 T HN 1.296 nan 8.240 nan 0.000 0.547 86 Y N 0.409 120.835 120.300 0.210 0.000 3.049 86 Y HA -0.406 4.144 4.550 0.000 0.000 0.478 86 Y C 1.961 177.911 175.900 0.083 0.000 1.177 86 Y CA 2.925 61.123 58.100 0.163 0.000 2.663 86 Y CB -2.045 36.529 38.460 0.190 0.000 0.854 86 Y HN 0.887 nan 8.280 nan 0.000 0.525 87 T N -2.029 112.443 114.554 -0.137 0.000 2.699 87 T HA -0.283 4.067 4.350 0.000 0.000 0.268 87 T C 1.395 175.842 174.700 -0.422 0.000 1.036 87 T CA 2.042 63.920 62.100 -0.369 0.000 1.147 87 T CB -0.750 67.944 68.868 -0.291 0.000 0.862 87 T HN 0.763 nan 8.240 nan 0.000 0.446 88 H N 1.007 119.997 119.070 -0.134 0.000 2.436 88 H HA 0.350 4.906 4.556 0.000 0.000 0.294 88 H C 2.818 178.063 175.328 -0.139 0.000 1.048 88 H CA 1.063 57.058 56.048 -0.089 0.000 1.353 88 H CB -0.468 29.366 29.762 0.120 0.000 1.414 88 H HN 0.583 nan 8.280 nan 0.000 0.536 89 A N 1.384 124.180 122.820 -0.041 0.000 1.902 89 A HA -0.148 4.172 4.320 0.000 0.000 0.217 89 A C 2.468 179.902 177.584 -0.249 0.000 1.181 89 A CA 1.285 53.250 52.037 -0.120 0.000 0.623 89 A CB -0.725 18.245 19.000 -0.050 0.000 0.818 89 A HN 0.277 nan 8.150 nan 0.000 0.443 90 L N -0.281 120.680 121.223 -0.437 0.000 2.017 90 L HA -0.045 4.295 4.340 0.000 0.000 0.208 90 L C 2.684 179.315 176.870 -0.399 0.000 1.073 90 L CA 2.251 56.802 54.840 -0.482 0.000 0.745 90 L CB -0.835 40.763 42.059 -0.769 0.000 0.894 90 L HN 0.338 nan 8.230 nan 0.000 0.432 91 A N -1.633 120.891 122.820 -0.493 0.000 1.902 91 A HA -0.181 4.139 4.320 0.000 0.000 0.217 91 A C 2.418 179.725 177.584 -0.463 0.000 1.181 91 A CA 1.989 53.657 52.037 -0.615 0.000 0.623 91 A CB -0.965 17.400 19.000 -1.058 0.000 0.818 91 A HN 0.511 nan 8.150 nan 0.000 0.443 92 S N -0.665 114.892 115.700 -0.237 0.000 2.383 92 S HA -0.105 4.365 4.470 0.000 0.000 0.227 92 S C 2.048 176.629 174.600 -0.031 0.000 1.026 92 S CA 1.742 60.040 58.200 0.163 0.000 0.981 92 S CB -0.403 62.945 63.200 0.247 0.000 0.818 92 S HN 0.709 nan 8.310 nan 0.000 0.472 93 T N 1.915 116.376 114.554 -0.155 0.000 2.821 93 T HA 0.001 4.351 4.350 0.000 0.000 0.267 93 T C 1.868 176.434 174.700 -0.224 0.000 1.046 93 T CA 0.857 62.839 62.100 -0.196 0.000 1.139 93 T CB -0.119 68.615 68.868 -0.223 0.000 0.871 93 T HN 0.326 nan 8.240 nan 0.000 0.454 94 R N 0.177 120.527 120.500 -0.250 0.000 2.096 94 R HA -0.071 4.269 4.340 0.000 0.000 0.235 94 R C 2.858 178.980 176.300 -0.298 0.000 1.127 94 R CA 1.320 57.250 56.100 -0.284 0.000 0.968 94 R CB -0.864 29.257 30.300 -0.299 0.000 0.861 94 R HN 0.411 nan 8.270 nan 0.000 0.440 95 C N 0.179 119.320 119.300 -0.265 0.000 2.432 95 C HA -0.049 4.411 4.460 0.000 0.000 0.277 95 C C 2.562 177.457 174.990 -0.159 0.000 1.249 95 C CA 0.673 59.544 59.018 -0.243 0.000 1.725 95 C CB -0.649 26.978 27.740 -0.188 0.000 2.028 95 C HN 0.283 nan 8.230 nan 0.000 0.477 96 V N 1.305 121.145 119.914 -0.122 0.000 2.453 96 V HA -0.112 4.008 4.120 0.000 0.000 0.247 96 V C 2.296 178.247 176.094 -0.237 0.000 1.048 96 V CA 2.290 64.506 62.300 -0.140 0.000 1.049 96 V CB -0.799 30.947 31.823 -0.128 0.000 0.672 96 V HN 0.488 nan 8.190 nan 0.000 0.457 97 D N 0.462 120.694 120.400 -0.280 0.000 2.133 97 D HA -0.228 4.412 4.640 0.000 0.000 0.192 97 D C 2.112 178.313 176.300 -0.164 0.000 1.001 97 D CA 1.697 55.533 54.000 -0.273 0.000 0.844 97 D CB -0.515 40.131 40.800 -0.258 0.000 0.944 97 D HN 0.471 nan 8.370 nan 0.000 0.447 98 N N 0.645 119.221 118.700 -0.206 0.000 2.084 98 N HA -0.159 4.581 4.740 0.000 0.000 0.190 98 N C 1.780 177.288 175.510 -0.003 0.000 1.030 98 N CA 1.519 54.478 53.050 -0.151 0.000 0.849 98 N CB 0.006 38.336 38.487 -0.261 0.000 1.012 98 N HN 0.081 nan 8.380 nan 0.000 0.423 99 A N 0.973 123.773 122.820 -0.033 0.000 1.908 99 A HA -0.126 4.194 4.320 0.000 0.000 0.218 99 A C 2.291 179.895 177.584 0.034 0.000 1.181 99 A CA 2.092 54.134 52.037 0.007 0.000 0.627 99 A CB -0.810 18.191 19.000 0.002 0.000 0.818 99 A HN 0.361 nan 8.150 nan 0.000 0.445 100 V N -3.768 116.155 119.914 0.014 0.000 3.608 100 V HA 0.494 4.614 4.120 0.000 0.000 0.269 100 V C 1.346 177.517 176.094 0.128 0.000 1.245 100 V CA 0.845 63.197 62.300 0.087 0.000 1.138 100 V CB -0.860 31.020 31.823 0.094 0.000 0.841 100 V HN 1.629 nan 8.190 nan 0.000 0.451 101 G N 0.091 108.968 108.800 0.129 0.000 2.176 101 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 101 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 101 G C 0.061 175.083 174.900 0.204 0.000 1.024 101 G CA 0.373 45.581 45.100 0.179 0.000 0.755 101 G HN 1.216 nan 8.290 nan 0.000 0.507 102 V N 1.379 121.393 119.914 0.167 0.000 2.607 102 V HA 0.522 4.642 4.120 0.000 0.000 0.289 102 V C 0.343 176.530 176.094 0.155 0.000 1.053 102 V CA -0.849 61.561 62.300 0.183 0.000 0.996 102 V CB 0.914 32.805 31.823 0.114 0.000 0.995 102 V HN 0.369 nan 8.190 nan 0.000 0.476 103 H N 7.363 126.502 119.070 0.115 0.000 2.623 103 H HA 0.344 4.900 4.556 0.000 0.000 0.299 103 H C 0.308 175.689 175.328 0.087 0.000 1.052 103 H CA -0.308 55.817 56.048 0.129 0.000 1.231 103 H CB 1.192 30.964 29.762 0.016 0.000 1.389 103 H HN 0.767 nan 8.280 nan 0.000 0.469 104 I N 1.379 122.023 120.570 0.124 0.000 2.938 104 I HA 0.299 4.469 4.170 0.000 0.000 0.285 104 I C -2.390 173.767 176.117 0.067 0.000 1.182 104 I CA -1.968 59.372 61.300 0.068 0.000 1.388 104 I CB 0.278 38.279 38.000 0.003 0.000 1.390 104 I HN 0.168 nan 8.210 nan 0.000 0.600 105 P HA 0.131 nan 4.420 nan 0.000 0.269 105 P C 0.039 177.346 177.300 0.011 0.000 1.215 105 P CA -0.343 62.784 63.100 0.046 0.000 0.780 105 P CB 0.555 32.287 31.700 0.053 0.000 0.898 106 K N 1.106 121.512 120.400 0.010 0.000 2.059 106 K HA -0.213 4.107 4.320 0.000 0.000 0.212 106 K C 1.520 178.096 176.600 -0.041 0.000 1.050 106 K CA 1.656 57.907 56.287 -0.061 0.000 0.927 106 K CB -0.377 32.135 32.500 0.020 0.000 0.714 106 K HN 0.423 nan 8.250 nan 0.000 0.447 107 N N 0.650 119.424 118.700 0.123 0.000 2.223 107 N HA -0.125 4.615 4.740 0.000 0.000 0.185 107 N C 1.674 177.192 175.510 0.015 0.000 1.016 107 N CA 1.205 54.375 53.050 0.201 0.000 0.863 107 N CB -0.254 38.363 38.487 0.216 0.000 0.983 107 N HN 0.212 nan 8.380 nan 0.000 0.429 108 A N 0.418 123.228 122.820 -0.017 0.000 1.902 108 A HA -0.106 4.214 4.320 0.000 0.000 0.217 108 A C 2.383 179.936 177.584 -0.052 0.000 1.181 108 A CA 1.847 53.860 52.037 -0.039 0.000 0.623 108 A CB -1.020 17.963 19.000 -0.028 0.000 0.818 108 A HN 0.263 nan 8.150 nan 0.000 0.443 109 T N -1.072 113.425 114.554 -0.094 0.000 2.684 109 T HA -0.177 4.173 4.350 0.000 0.000 0.267 109 T C 1.713 176.338 174.700 -0.125 0.000 1.036 109 T CA 1.825 63.849 62.100 -0.126 0.000 1.148 109 T CB -0.498 68.250 68.868 -0.201 0.000 0.863 109 T HN 0.599 nan 8.240 nan 0.000 0.436 110 Y N 0.804 121.033 120.300 -0.117 0.000 2.114 110 Y HA -0.087 4.463 4.550 0.000 0.000 0.284 110 Y C 2.362 178.026 175.900 -0.393 0.000 1.143 110 Y CA 0.803 58.752 58.100 -0.251 0.000 1.135 110 Y CB -0.365 37.894 38.460 -0.336 0.000 0.980 110 Y HN 0.146 nan 8.280 nan 0.000 0.499 111 I N -0.213 120.158 120.570 -0.331 0.000 2.179 111 I HA -0.315 3.855 4.170 0.000 0.000 0.242 111 I C 2.376 178.472 176.117 -0.035 0.000 1.088 111 I CA 1.372 62.428 61.300 -0.406 0.000 1.357 111 I CB -0.394 37.338 38.000 -0.447 0.000 1.051 111 I HN 0.143 nan 8.210 nan 0.000 0.409 112 R N 0.668 121.248 120.500 0.134 0.000 2.091 112 R HA -0.159 4.181 4.340 0.000 0.000 0.238 112 R C 2.039 178.536 176.300 0.329 0.000 1.136 112 R CA 1.815 58.117 56.100 0.337 0.000 0.959 112 R CB -0.552 29.886 30.300 0.229 0.000 0.856 112 R HN 0.531 nan 8.270 nan 0.000 0.437 113 N N 0.331 119.163 118.700 0.221 0.000 2.188 113 N HA -0.108 4.632 4.740 0.000 0.000 0.184 113 N C 1.806 177.510 175.510 0.322 0.000 1.018 113 N CA 0.702 53.962 53.050 0.349 0.000 0.858 113 N CB -0.018 38.661 38.487 0.320 0.000 0.989 113 N HN 0.121 nan 8.380 nan 0.000 0.426 114 L N 0.630 121.912 121.223 0.099 0.000 2.056 114 L HA -0.128 4.212 4.340 0.000 0.000 0.207 114 L C 2.228 179.193 176.870 0.158 0.000 1.078 114 L CA 0.790 55.640 54.840 0.017 0.000 0.749 114 L CB -0.331 41.563 42.059 -0.275 0.000 0.901 114 L HN 0.038 nan 8.230 nan 0.000 0.433 115 V N -0.250 119.725 119.914 0.101 0.000 2.407 115 V HA -0.275 3.845 4.120 0.000 0.000 0.248 115 V C 2.332 178.565 176.094 0.230 0.000 1.055 115 V CA 1.483 63.794 62.300 0.019 0.000 1.049 115 V CB -0.369 31.223 31.823 -0.384 0.000 0.662 115 V HN 0.314 nan 8.190 nan 0.000 0.455 116 L N 1.346 122.871 121.223 0.504 0.000 2.056 116 L HA 0.023 4.363 4.340 0.000 0.000 0.207 116 L C 2.380 179.662 176.870 0.687 0.000 1.078 116 L CA 2.347 57.588 54.840 0.669 0.000 0.749 116 L CB -1.312 41.106 42.059 0.598 0.000 0.901 116 L HN 0.264 nan 8.230 nan 0.000 0.433 117 G N -0.932 108.258 108.800 0.650 0.000 2.446 117 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 117 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 117 G C 1.616 176.756 174.900 0.400 0.000 1.168 117 G CA 0.932 46.308 45.100 0.460 0.000 0.771 117 G HN 0.633 nan 8.290 nan 0.000 0.551 118 A N 0.257 123.288 122.820 0.351 0.000 1.902 118 A HA -0.121 4.199 4.320 0.000 0.000 0.217 118 A C 2.322 180.073 177.584 0.279 0.000 1.181 118 A CA 2.349 54.553 52.037 0.278 0.000 0.623 118 A CB -0.503 18.639 19.000 0.236 0.000 0.818 118 A HN 0.443 nan 8.150 nan 0.000 0.443 119 Q N -1.024 118.960 119.800 0.305 0.000 2.061 119 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 119 Q C 1.711 177.858 176.000 0.244 0.000 0.984 119 Q CA 2.229 58.194 55.803 0.269 0.000 0.846 119 Q CB -0.698 28.218 28.738 0.295 0.000 0.902 119 Q HN 0.695 nan 8.270 nan 0.000 0.421 120 Y N 0.098 120.492 120.300 0.157 0.000 2.165 120 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 120 Y C 2.016 177.918 175.900 0.003 0.000 1.155 120 Y CA 1.699 59.796 58.100 -0.005 0.000 1.164 120 Y CB -0.149 38.373 38.460 0.102 0.000 0.978 120 Y HN 0.124 nan 8.280 nan 0.000 0.513 121 L N -1.374 120.046 121.223 0.327 0.000 2.027 121 L HA -0.263 4.077 4.340 0.000 0.000 0.206 121 L C 2.560 179.568 176.870 0.229 0.000 1.074 121 L CA 1.714 56.730 54.840 0.293 0.000 0.745 121 L CB -0.944 41.282 42.059 0.279 0.000 0.898 121 L HN 0.392 nan 8.230 nan 0.000 0.433 122 H N 0.332 119.482 119.070 0.133 0.000 2.290 122 H HA -0.240 4.316 4.556 0.000 0.000 0.298 122 H C 1.888 177.277 175.328 0.102 0.000 1.087 122 H CA 2.278 58.378 56.048 0.088 0.000 1.291 122 H CB 0.077 29.875 29.762 0.061 0.000 1.369 122 H HN 0.302 nan 8.280 nan 0.000 0.492 123 D N -0.298 120.155 120.400 0.089 0.000 2.097 123 D HA -0.154 4.486 4.640 0.000 0.000 0.195 123 D C 2.139 178.528 176.300 0.147 0.000 0.989 123 D CA 1.083 55.124 54.000 0.067 0.000 0.827 123 D CB -0.260 40.560 40.800 0.034 0.000 0.966 123 D HN 0.461 nan 8.370 nan 0.000 0.456 124 H N 0.228 119.376 119.070 0.131 0.000 2.389 124 H HA 0.022 4.579 4.556 0.000 0.000 0.299 124 H C 2.398 177.732 175.328 0.009 0.000 1.081 124 H CA 0.494 56.639 56.048 0.162 0.000 1.345 124 H CB -0.421 29.517 29.762 0.293 0.000 1.393 124 H HN 0.265 nan 8.280 nan 0.000 0.520 125 I N -0.241 120.369 120.570 0.066 0.000 2.163 125 I HA -0.239 3.931 4.170 0.000 0.000 0.243 125 I C 2.343 178.416 176.117 -0.073 0.000 1.085 125 I CA 0.936 62.178 61.300 -0.097 0.000 1.347 125 I CB -0.259 37.755 38.000 0.023 0.000 1.044 125 I HN 0.025 nan 8.210 nan 0.000 0.408 126 V N 0.386 120.240 119.914 -0.099 0.000 2.407 126 V HA -0.322 3.798 4.120 0.000 0.000 0.248 126 V C 2.482 178.550 176.094 -0.044 0.000 1.055 126 V CA 2.051 64.317 62.300 -0.057 0.000 1.049 126 V CB -0.994 30.772 31.823 -0.095 0.000 0.662 126 V HN 0.530 nan 8.190 nan 0.000 0.455 127 H N -0.569 118.489 119.070 -0.020 0.000 2.290 127 H HA -0.244 4.312 4.556 0.000 0.000 0.298 127 H C 2.320 177.639 175.328 -0.014 0.000 1.087 127 H CA 2.537 58.590 56.048 0.008 0.000 1.291 127 H CB -0.243 29.569 29.762 0.084 0.000 1.369 127 H HN 0.438 nan 8.280 nan 0.000 0.492 128 F N 0.545 120.370 119.950 -0.208 0.000 2.069 128 F HA -0.286 4.241 4.527 0.000 0.000 0.298 128 F C 2.026 177.570 175.800 -0.427 0.000 1.113 128 F CA 1.745 59.578 58.000 -0.278 0.000 1.214 128 F CB -0.534 38.202 39.000 -0.440 0.000 0.978 128 F HN 0.099 nan 8.300 nan 0.000 0.474 129 Y N -0.659 119.388 120.300 -0.421 0.000 2.176 129 Y HA -0.106 4.444 4.550 0.000 0.000 0.291 129 Y C 2.542 178.107 175.900 -0.557 0.000 1.122 129 Y CA 2.193 59.940 58.100 -0.588 0.000 1.128 129 Y CB -0.963 37.041 38.460 -0.760 0.000 1.005 129 Y HN 0.139 nan 8.280 nan 0.000 0.509 130 H N -1.548 117.421 119.070 -0.167 0.000 2.547 130 H HA 0.147 4.704 4.556 0.000 0.000 0.272 130 H C 1.590 176.818 175.328 -0.168 0.000 0.971 130 H CA 0.692 56.608 56.048 -0.220 0.000 1.245 130 H CB 0.296 29.883 29.762 -0.292 0.000 1.440 130 H HN 0.210 nan 8.280 nan 0.000 0.540 131 L N -1.082 120.001 121.223 -0.233 0.000 2.433 131 L HA 0.047 4.387 4.340 0.000 0.000 0.200 131 L C 2.097 178.625 176.870 -0.570 0.000 1.059 131 L CA 0.467 55.080 54.840 -0.378 0.000 0.835 131 L CB -0.025 41.804 42.059 -0.384 0.000 1.076 131 L HN 0.278 nan 8.230 nan 0.000 0.481 132 H N 0.587 119.189 119.070 -0.780 0.000 2.399 132 H HA 0.194 4.750 4.556 0.000 0.000 0.300 132 H C 2.065 176.826 175.328 -0.945 0.000 1.048 132 H CA 0.948 56.588 56.048 -0.680 0.000 1.370 132 H CB 0.311 29.814 29.762 -0.433 0.000 1.428 132 H HN 0.180 nan 8.280 nan 0.000 0.534 133 A N 0.830 123.007 122.820 -1.071 0.000 1.972 133 A HA -0.077 4.243 4.320 0.000 0.000 0.219 133 A C 2.377 179.200 177.584 -1.268 0.000 1.169 133 A CA 1.084 52.029 52.037 -1.820 0.000 0.635 133 A CB -0.888 17.523 19.000 -0.981 0.000 0.810 133 A HN 0.424 nan 8.150 nan 0.000 0.446 134 L N -0.235 120.662 121.223 -0.543 0.000 2.549 134 L HA -0.120 4.220 4.340 0.000 0.000 0.229 134 L C 1.061 177.906 176.870 -0.041 0.000 1.158 134 L CA 0.511 55.258 54.840 -0.155 0.000 0.842 134 L CB -0.451 41.664 42.059 0.094 0.000 0.952 134 L HN 0.271 nan 8.230 nan 0.000 0.452 135 D N -0.035 120.180 120.400 -0.308 0.000 2.317 135 D HA -0.094 4.546 4.640 0.000 0.000 0.211 135 D C 1.444 177.489 176.300 -0.425 0.000 0.966 135 D CA 1.129 55.021 54.000 -0.180 0.000 0.876 135 D CB 0.192 40.955 40.800 -0.062 0.000 0.927 135 D HN 0.497 nan 8.370 nan 0.000 0.519 136 F N -1.861 117.847 119.950 -0.404 0.000 2.834 136 F HA 0.292 4.819 4.527 0.000 0.000 0.332 136 F C 0.483 176.237 175.800 -0.077 0.000 1.056 136 F CA -0.508 57.154 58.000 -0.563 0.000 1.178 136 F CB 0.394 38.934 39.000 -0.766 0.000 1.037 136 F HN -0.354 nan 8.300 nan 0.000 0.580 137 V N 2.231 122.149 119.914 0.006 0.000 2.398 137 V HA 0.252 4.372 4.120 0.000 0.000 0.286 137 V C -0.946 174.932 176.094 -0.359 0.000 1.026 137 V CA -0.661 61.596 62.300 -0.072 0.000 0.868 137 V CB 1.507 33.213 31.823 -0.195 0.000 0.982 137 V HN 0.087 nan 8.190 nan 0.000 0.443 138 D N 4.217 124.306 120.400 -0.518 0.000 2.441 138 D HA 0.201 4.841 4.640 0.000 0.000 0.221 138 D C 0.863 176.617 176.300 -0.910 0.000 1.156 138 D CA -0.089 53.217 54.000 -1.156 0.000 0.896 138 D CB 1.630 42.099 40.800 -0.553 0.000 1.028 138 D HN 0.230 nan 8.370 nan 0.000 0.509 139 V N 3.285 122.485 119.914 -1.190 0.000 2.407 139 V HA -0.241 3.879 4.120 0.000 0.000 0.248 139 V C 2.565 178.377 176.094 -0.471 0.000 1.055 139 V CA 2.370 64.236 62.300 -0.723 0.000 1.049 139 V CB -0.814 30.450 31.823 -0.932 0.000 0.662 139 V HN 0.723 nan 8.190 nan 0.000 0.455 140 T N -1.128 113.208 114.554 -0.363 0.000 2.915 140 T HA -0.077 4.273 4.350 0.000 0.000 0.269 140 T C 1.856 176.482 174.700 -0.123 0.000 1.071 140 T CA 1.216 63.231 62.100 -0.142 0.000 1.132 140 T CB -0.403 68.476 68.868 0.018 0.000 0.878 140 T HN 0.463 nan 8.240 nan 0.000 0.479 141 A N 1.475 124.196 122.820 -0.165 0.000 2.121 141 A HA 0.456 4.776 4.320 0.000 0.000 0.218 141 A C 2.690 180.215 177.584 -0.100 0.000 1.154 141 A CA 1.273 53.247 52.037 -0.105 0.000 0.679 141 A CB -1.115 17.828 19.000 -0.095 0.000 0.795 141 A HN 0.705 nan 8.150 nan 0.000 0.458 142 A N -0.021 122.716 122.820 -0.139 0.000 2.019 142 A HA -0.020 4.300 4.320 0.000 0.000 0.219 142 A C 1.971 179.510 177.584 -0.075 0.000 1.164 142 A CA 1.285 53.255 52.037 -0.111 0.000 0.644 142 A CB -0.546 18.365 19.000 -0.148 0.000 0.805 142 A HN 0.504 nan 8.150 nan 0.000 0.449 143 L N -0.660 120.522 121.223 -0.067 0.000 2.265 143 L HA -0.161 4.179 4.340 0.000 0.000 0.215 143 L C 2.019 178.873 176.870 -0.025 0.000 1.117 143 L CA 1.299 56.117 54.840 -0.037 0.000 0.782 143 L CB -0.330 41.716 42.059 -0.022 0.000 0.914 143 L HN 0.380 nan 8.230 nan 0.000 0.441 144 K N 0.312 120.696 120.400 -0.027 0.000 2.426 144 K HA 0.227 4.548 4.320 0.000 0.000 0.193 144 K C 0.888 177.477 176.600 -0.017 0.000 1.028 144 K CA 0.159 56.436 56.287 -0.017 0.000 1.047 144 K CB 0.111 32.604 32.500 -0.013 0.000 0.821 144 K HN 0.175 nan 8.250 nan 0.000 0.513 145 A N 2.295 125.100 122.820 -0.025 0.000 2.366 145 A HA 0.036 4.356 4.320 0.000 0.000 0.249 145 A C -0.294 177.281 177.584 -0.016 0.000 1.084 145 A CA -0.356 51.667 52.037 -0.022 0.000 0.794 145 A CB 0.309 19.290 19.000 -0.031 0.000 1.034 145 A HN 0.124 nan 8.150 nan 0.000 0.491 146 D N 1.738 122.130 120.400 -0.013 0.000 2.339 146 D HA 0.257 4.898 4.640 0.000 0.000 0.241 146 D C -1.544 174.749 176.300 -0.011 0.000 1.183 146 D CA -1.954 52.041 54.000 -0.009 0.000 0.859 146 D CB 1.148 41.944 40.800 -0.007 0.000 1.067 146 D HN 0.148 nan 8.370 nan 0.000 0.484 147 P HA -0.104 nan 4.420 nan 0.000 0.218 147 P C 1.028 178.324 177.300 -0.007 0.000 1.149 147 P CA 0.775 63.868 63.100 -0.011 0.000 0.817 147 P CB 0.244 31.939 31.700 -0.009 0.000 0.785 148 A N 0.900 123.718 122.820 -0.004 0.000 1.873 148 A HA -0.188 4.132 4.320 0.000 0.000 0.215 148 A C 2.419 180.002 177.584 -0.002 0.000 1.186 148 A CA 1.970 54.006 52.037 -0.002 0.000 0.616 148 A CB -1.225 17.775 19.000 -0.001 0.000 0.823 148 A HN 0.157 nan 8.150 nan 0.000 0.442 149 K N -0.214 120.184 120.400 -0.004 0.000 2.057 149 K HA -0.092 4.228 4.320 0.000 0.000 0.207 149 K C 2.125 178.722 176.600 -0.004 0.000 1.049 149 K CA 1.314 57.600 56.287 -0.003 0.000 0.931 149 K CB -0.366 32.132 32.500 -0.004 0.000 0.714 149 K HN 0.333 nan 8.250 nan 0.000 0.440 150 A N 1.073 123.888 122.820 -0.008 0.000 1.908 150 A HA -0.122 4.198 4.320 0.000 0.000 0.218 150 A C 2.337 179.917 177.584 -0.006 0.000 1.181 150 A CA 1.934 53.964 52.037 -0.012 0.000 0.627 150 A CB -0.830 18.156 19.000 -0.024 0.000 0.818 150 A HN 0.516 nan 8.150 nan 0.000 0.445 151 A N -0.374 122.444 122.820 -0.002 0.000 1.930 151 A HA -0.133 4.187 4.320 0.000 0.000 0.217 151 A C 2.110 179.700 177.584 0.010 0.000 1.175 151 A CA 1.675 53.716 52.037 0.007 0.000 0.627 151 A CB -0.381 18.624 19.000 0.007 0.000 0.815 151 A HN 0.529 nan 8.150 nan 0.000 0.443 152 K N -0.374 120.030 120.400 0.006 0.000 2.057 152 K HA -0.083 4.237 4.320 0.000 0.000 0.207 152 K C 1.919 178.525 176.600 0.009 0.000 1.049 152 K CA 1.464 57.755 56.287 0.006 0.000 0.931 152 K CB -0.395 32.106 32.500 0.003 0.000 0.714 152 K HN 0.333 nan 8.250 nan 0.000 0.440 153 V N 1.419 121.338 119.914 0.009 0.000 2.295 153 V HA -0.249 3.871 4.120 0.000 0.000 0.246 153 V C 2.401 178.509 176.094 0.023 0.000 1.049 153 V CA 2.041 64.348 62.300 0.013 0.000 1.024 153 V CB -0.696 31.134 31.823 0.010 0.000 0.648 153 V HN 0.347 nan 8.190 nan 0.000 0.447 154 A N -0.430 122.408 122.820 0.030 0.000 1.933 154 A HA -0.200 4.120 4.320 0.000 0.000 0.218 154 A C 2.429 180.044 177.584 0.051 0.000 1.175 154 A CA 2.248 54.320 52.037 0.059 0.000 0.628 154 A CB -0.630 18.411 19.000 0.068 0.000 0.814 154 A HN 0.512 nan 8.150 nan 0.000 0.444 155 S N 0.051 115.771 115.700 0.032 0.000 2.453 155 S HA -0.081 4.389 4.470 0.000 0.000 0.231 155 S C 2.131 176.738 174.600 0.011 0.000 1.005 155 S CA 1.247 59.459 58.200 0.020 0.000 0.949 155 S CB -0.228 62.980 63.200 0.015 0.000 0.774 155 S HN 0.882 nan 8.310 nan 0.000 0.510 156 S N 1.856 117.562 115.700 0.011 0.000 2.496 156 S HA 0.090 4.560 4.470 0.000 0.000 0.224 156 S C 1.609 176.211 174.600 0.002 0.000 0.996 156 S CA 0.252 58.455 58.200 0.004 0.000 0.927 156 S CB -0.617 62.585 63.200 0.004 0.000 0.774 156 S HN 0.725 nan 8.310 nan 0.000 0.524 157 I N -1.593 118.982 120.570 0.009 0.000 3.968 157 I HA 0.441 4.611 4.170 0.000 0.000 0.328 157 I C 0.418 176.530 176.117 -0.009 0.000 1.290 157 I CA -0.417 60.885 61.300 0.003 0.000 1.163 157 I CB 0.400 38.410 38.000 0.017 0.000 1.024 157 I HN 0.248 nan 8.210 nan 0.000 0.413 158 S N 1.077 116.772 115.700 -0.008 0.000 2.546 158 S HA 0.558 5.028 4.470 0.000 0.000 0.274 158 S C -2.166 172.420 174.600 -0.024 0.000 1.121 158 S CA -1.006 57.178 58.200 -0.026 0.000 0.887 158 S CB 1.778 64.961 63.200 -0.029 0.000 1.094 158 S HN -0.045 nan 8.310 nan 0.000 0.474 159 P HA 0.029 nan 4.420 nan 0.000 0.225 159 P C 0.163 177.449 177.300 -0.024 0.000 1.156 159 P CA 0.224 63.308 63.100 -0.027 0.000 0.787 159 P CB -0.043 31.638 31.700 -0.032 0.000 0.802 160 R N 2.267 122.750 120.500 -0.030 0.000 2.404 160 R HA 0.055 4.395 4.340 0.000 0.000 0.315 160 R C 0.756 177.054 176.300 -0.003 0.000 1.032 160 R CA -0.088 55.999 56.100 -0.023 0.000 0.992 160 R CB 0.212 30.487 30.300 -0.042 0.000 0.959 160 R HN 0.060 nan 8.270 nan 0.000 0.428 161 K N 3.078 123.479 120.400 0.002 0.000 2.143 161 K HA 0.250 4.570 4.320 0.000 0.000 0.272 161 K C -1.166 175.447 176.600 0.022 0.000 1.001 161 K CA -0.435 55.859 56.287 0.011 0.000 0.915 161 K CB 1.869 34.373 32.500 0.006 0.000 1.047 161 K HN 0.342 nan 8.250 nan 0.000 0.458 162 T N 2.280 116.852 114.554 0.031 0.000 2.824 162 T HA 0.299 4.649 4.350 0.000 0.000 0.282 162 T C -0.449 174.267 174.700 0.026 0.000 0.993 162 T CA -0.658 61.466 62.100 0.041 0.000 0.967 162 T CB 1.577 70.484 68.868 0.065 0.000 0.960 162 T HN 0.768 nan 8.240 nan 0.000 0.441 163 T N -0.378 114.189 114.554 0.022 0.000 2.948 163 T HA 0.699 5.049 4.350 0.000 0.000 0.285 163 T C 1.700 176.406 174.700 0.011 0.000 1.019 163 T CA -0.379 61.730 62.100 0.014 0.000 1.013 163 T CB 1.308 70.183 68.868 0.011 0.000 1.117 163 T HN 0.473 nan 8.240 nan 0.000 0.533 164 A N 0.873 123.697 122.820 0.007 0.000 1.908 164 A HA 0.143 4.463 4.320 0.000 0.000 0.218 164 A C 2.584 180.171 177.584 0.004 0.000 1.181 164 A CA 2.014 54.053 52.037 0.004 0.000 0.627 164 A CB -1.565 17.436 19.000 0.002 0.000 0.818 164 A HN 1.284 nan 8.150 nan 0.000 0.445 165 A N -0.188 122.636 122.820 0.006 0.000 1.969 165 A HA -0.160 4.160 4.320 0.000 0.000 0.218 165 A C 1.754 179.344 177.584 0.009 0.000 1.169 165 A CA 1.755 53.796 52.037 0.007 0.000 0.635 165 A CB -0.525 18.479 19.000 0.007 0.000 0.810 165 A HN 0.485 nan 8.150 nan 0.000 0.445 166 D N 0.227 120.635 120.400 0.013 0.000 2.104 166 D HA -0.138 4.502 4.640 0.000 0.000 0.194 166 D C 1.887 178.196 176.300 0.015 0.000 0.994 166 D CA 1.282 55.294 54.000 0.020 0.000 0.830 166 D CB -0.297 40.521 40.800 0.030 0.000 0.959 166 D HN 0.466 nan 8.370 nan 0.000 0.452 167 L N 0.295 121.523 121.223 0.007 0.000 2.240 167 L HA -0.029 4.311 4.340 0.000 0.000 0.211 167 L C 2.410 179.275 176.870 -0.008 0.000 1.106 167 L CA 0.512 55.348 54.840 -0.007 0.000 0.793 167 L CB -0.179 41.870 42.059 -0.018 0.000 0.927 167 L HN -0.035 nan 8.230 nan 0.000 0.446 168 K N 0.911 121.309 120.400 -0.003 0.000 2.097 168 K HA -0.160 4.160 4.320 0.000 0.000 0.206 168 K C 2.146 178.747 176.600 0.002 0.000 1.049 168 K CA 1.224 57.510 56.287 -0.002 0.000 0.933 168 K CB -0.024 32.477 32.500 0.001 0.000 0.717 168 K HN 0.238 nan 8.250 nan 0.000 0.442 169 A N 0.593 123.416 122.820 0.006 0.000 1.908 169 A HA -0.120 4.200 4.320 0.000 0.000 0.218 169 A C 2.202 179.790 177.584 0.008 0.000 1.181 169 A CA 1.694 53.736 52.037 0.009 0.000 0.627 169 A CB -0.624 18.384 19.000 0.012 0.000 0.818 169 A HN 0.172 nan 8.150 nan 0.000 0.445 170 V N -0.286 119.630 119.914 0.003 0.000 2.295 170 V HA -0.312 3.808 4.120 0.000 0.000 0.246 170 V C 2.699 178.786 176.094 -0.011 0.000 1.049 170 V CA 2.293 64.591 62.300 -0.004 0.000 1.024 170 V CB -0.832 30.985 31.823 -0.011 0.000 0.648 170 V HN 0.740 nan 8.190 nan 0.000 0.447 171 Q N -0.373 119.418 119.800 -0.015 0.000 2.096 171 Q HA -0.265 4.075 4.340 0.000 0.000 0.204 171 Q C 1.980 177.982 176.000 0.003 0.000 0.982 171 Q CA 2.071 57.865 55.803 -0.015 0.000 0.850 171 Q CB -0.107 28.622 28.738 -0.016 0.000 0.901 171 Q HN 0.642 nan 8.270 nan 0.000 0.422 172 D N 0.033 120.439 120.400 0.009 0.000 2.117 172 D HA -0.156 4.484 4.640 0.000 0.000 0.197 172 D C 1.731 178.051 176.300 0.034 0.000 0.987 172 D CA 1.151 55.163 54.000 0.020 0.000 0.829 172 D CB -0.094 40.716 40.800 0.017 0.000 0.961 172 D HN 0.072 nan 8.370 nan 0.000 0.460 173 K N 0.566 120.984 120.400 0.031 0.000 2.026 173 K HA -0.103 4.217 4.320 0.000 0.000 0.208 173 K C 1.991 178.636 176.600 0.076 0.000 1.048 173 K CA 0.573 56.888 56.287 0.047 0.000 0.929 173 K CB -0.558 31.957 32.500 0.025 0.000 0.713 173 K HN 0.046 nan 8.250 nan 0.000 0.439 174 L N 1.059 122.308 121.223 0.044 0.000 2.093 174 L HA -0.090 4.250 4.340 0.000 0.000 0.208 174 L C 2.098 179.046 176.870 0.129 0.000 1.085 174 L CA 1.817 56.698 54.840 0.068 0.000 0.755 174 L CB -0.448 41.601 42.059 -0.017 0.000 0.904 174 L HN 0.156 nan 8.230 nan 0.000 0.435 175 K N -1.368 119.077 120.400 0.075 0.000 2.057 175 K HA -0.167 4.153 4.320 0.000 0.000 0.207 175 K C 1.900 178.554 176.600 0.089 0.000 1.049 175 K CA 1.925 58.253 56.287 0.068 0.000 0.931 175 K CB -0.191 32.331 32.500 0.038 0.000 0.714 175 K HN 0.385 nan 8.250 nan 0.000 0.440 176 T N 0.700 115.312 114.554 0.097 0.000 2.720 176 T HA -0.176 4.174 4.350 0.000 0.000 0.268 176 T C 1.391 176.169 174.700 0.131 0.000 1.037 176 T CA 1.521 63.678 62.100 0.095 0.000 1.144 176 T CB -0.366 68.556 68.868 0.090 0.000 0.864 176 T HN 0.276 nan 8.240 nan 0.000 0.444 177 F N 1.610 121.580 119.950 0.033 0.000 2.075 177 F HA -0.141 4.386 4.527 0.000 0.000 0.297 177 F C 2.302 178.133 175.800 0.052 0.000 1.113 177 F CA 1.057 59.087 58.000 0.050 0.000 1.218 177 F CB -0.522 38.525 39.000 0.077 0.000 0.984 177 F HN -0.109 nan 8.300 nan 0.000 0.472 178 V N 0.760 120.785 119.914 0.186 0.000 2.295 178 V HA -0.305 3.815 4.120 0.000 0.000 0.246 178 V C 2.115 178.199 176.094 -0.016 0.000 1.049 178 V CA 2.353 64.695 62.300 0.071 0.000 1.024 178 V CB -0.768 31.127 31.823 0.120 0.000 0.648 178 V HN 0.377 nan 8.190 nan 0.000 0.447 179 E N 0.328 120.532 120.200 0.006 0.000 2.333 179 E HA -0.195 4.155 4.350 0.000 0.000 0.198 179 E C 2.134 178.710 176.600 -0.040 0.000 1.007 179 E CA 1.539 57.933 56.400 -0.010 0.000 0.845 179 E CB -0.293 29.411 29.700 0.007 0.000 0.766 179 E HN 0.834 nan 8.360 nan 0.000 0.507 180 T N -2.580 111.927 114.554 -0.078 0.000 3.072 180 T HA 0.050 4.400 4.350 0.000 0.000 0.266 180 T C 1.725 176.356 174.700 -0.115 0.000 1.127 180 T CA 0.659 62.698 62.100 -0.101 0.000 1.107 180 T CB -0.034 68.748 68.868 -0.143 0.000 0.910 180 T HN 0.294 nan 8.240 nan 0.000 0.513 181 G N 1.187 109.915 108.800 -0.121 0.000 2.189 181 G HA2 -0.284 3.676 3.960 0.000 0.000 0.267 181 G HA3 -0.284 3.676 3.960 0.000 0.000 0.267 181 G C 0.059 174.877 174.900 -0.135 0.000 0.975 181 G CA 0.353 45.392 45.100 -0.102 0.000 0.644 181 G HN 0.666 nan 8.290 nan 0.000 0.537 182 Q N 0.003 119.670 119.800 -0.222 0.000 2.655 182 Q HA 0.548 4.888 4.340 0.000 0.000 0.228 182 Q C 1.562 177.307 176.000 -0.424 0.000 1.186 182 Q CA -0.505 55.146 55.803 -0.253 0.000 1.004 182 Q CB 0.422 29.023 28.738 -0.229 0.000 1.242 182 Q HN 0.484 nan 8.270 nan 0.000 0.558 183 L N 0.538 121.639 121.223 -0.203 0.000 2.478 183 L HA -0.004 4.336 4.340 0.000 0.000 0.223 183 L C 1.355 178.304 176.870 0.132 0.000 1.140 183 L CA 0.550 55.377 54.840 -0.023 0.000 0.842 183 L CB -0.765 41.372 42.059 0.130 0.000 0.953 183 L HN 0.870 nan 8.230 nan 0.000 0.452 184 G N 1.368 110.176 108.800 0.012 0.000 2.622 184 G HA2 -0.332 3.628 3.960 0.000 0.000 0.307 184 G HA3 -0.332 3.628 3.960 0.000 0.000 0.307 184 G C -1.498 173.366 174.900 -0.059 0.000 1.226 184 G CA 0.308 45.429 45.100 0.035 0.000 0.997 184 G HN 0.244 nan 8.290 nan 0.000 0.551 185 P HA 0.149 nan 4.420 nan 0.000 0.234 185 P C 1.100 178.169 177.300 -0.384 0.000 1.167 185 P CA 1.052 63.943 63.100 -0.350 0.000 0.763 185 P CB -0.189 31.209 31.700 -0.503 0.000 0.835 186 F N -1.387 118.612 119.950 0.081 0.000 2.727 186 F HA 0.156 4.683 4.527 0.000 0.000 0.302 186 F C 1.075 176.836 175.800 -0.065 0.000 1.097 186 F CA -0.324 57.688 58.000 0.019 0.000 1.330 186 F CB -1.447 37.638 39.000 0.142 0.000 1.084 186 F HN -0.312 nan 8.300 nan 0.000 0.578 187 T N 1.768 116.354 114.554 0.052 0.000 2.871 187 T HA -0.049 4.301 4.350 0.000 0.000 0.296 187 T C 0.732 175.404 174.700 -0.047 0.000 0.998 187 T CA 0.340 62.442 62.100 0.003 0.000 1.162 187 T CB -0.365 68.495 68.868 -0.013 0.000 0.947 187 T HN 0.465 nan 8.240 nan 0.000 0.536 188 N N -0.109 118.560 118.700 -0.052 0.000 2.714 188 N HA -0.201 4.540 4.740 0.000 0.000 0.250 188 N C 0.149 175.580 175.510 -0.132 0.000 1.117 188 N CA -0.036 52.979 53.050 -0.058 0.000 0.719 188 N CB -0.782 37.693 38.487 -0.019 0.000 1.081 188 N HN 0.835 nan 8.380 nan 0.000 0.557 189 A N -0.191 122.454 122.820 -0.292 0.000 2.483 189 A HA 0.073 4.393 4.320 0.000 0.000 0.238 189 A C 0.918 178.250 177.584 -0.419 0.000 1.070 189 A CA 0.079 51.766 52.037 -0.583 0.000 0.770 189 A CB 0.111 18.306 19.000 -1.342 0.000 1.008 189 A HN 0.441 nan 8.150 nan 0.000 0.497 190 Y N 0.841 120.923 120.300 -0.364 0.000 2.333 190 Y HA -0.248 4.302 4.550 0.000 0.000 0.290 190 Y C 1.705 177.511 175.900 -0.158 0.000 1.144 190 Y CA 1.353 59.382 58.100 -0.118 0.000 1.228 190 Y CB -0.301 38.189 38.460 0.050 0.000 0.985 190 Y HN 0.885 nan 8.280 nan 0.000 0.542 191 F N -0.878 118.932 119.950 -0.234 0.000 2.710 191 F HA 0.164 4.691 4.527 0.000 0.000 0.298 191 F C 0.427 176.113 175.800 -0.190 0.000 1.137 191 F CA -0.425 57.259 58.000 -0.527 0.000 1.444 191 F CB -1.136 37.241 39.000 -1.038 0.000 1.111 191 F HN -0.255 nan 8.300 nan 0.000 0.580 192 L N 2.115 123.286 121.223 -0.086 0.000 2.513 192 L HA 0.266 4.606 4.340 0.000 0.000 0.272 192 L C 1.490 178.392 176.870 0.055 0.000 1.187 192 L CA 0.905 55.762 54.840 0.029 0.000 0.895 192 L CB 0.024 42.052 42.059 -0.052 0.000 1.147 192 L HN 0.654 nan 8.230 nan 0.000 0.483 193 G N 2.006 110.847 108.800 0.069 0.000 2.176 193 G HA2 -0.067 3.893 3.960 0.000 0.000 0.253 193 G HA3 -0.067 3.893 3.960 0.000 0.000 0.253 193 G C 0.559 175.498 174.900 0.066 0.000 0.979 193 G CA 0.009 45.141 45.100 0.054 0.000 0.641 193 G HN 1.509 nan 8.290 nan 0.000 0.530 194 G N -1.112 107.743 108.800 0.092 0.000 2.705 194 G HA2 0.392 4.352 3.960 0.000 0.000 0.686 194 G HA3 0.392 4.352 3.960 0.000 0.000 0.686 194 G C -0.861 174.148 174.900 0.181 0.000 1.285 194 G CA 0.456 45.629 45.100 0.121 0.000 0.800 194 G HN 2.041 nan 8.290 nan 0.000 0.611 195 H N 3.156 122.310 119.070 0.140 0.000 3.026 195 H HA 0.458 5.014 4.556 0.000 0.000 0.352 195 H C -1.858 173.635 175.328 0.275 0.000 1.090 195 H CA -0.901 55.270 56.048 0.205 0.000 1.268 195 H CB 2.513 32.441 29.762 0.277 0.000 1.816 195 H HN 0.324 nan 8.280 nan 0.000 0.518 196 P HA -0.028 nan 4.420 nan 0.000 0.222 196 P C 0.789 178.395 177.300 0.509 0.000 1.147 196 P CA 1.118 64.415 63.100 0.327 0.000 0.790 196 P CB 0.203 32.006 31.700 0.172 0.000 0.780 197 A N -1.985 121.202 122.820 0.612 0.000 2.275 197 A HA 0.080 4.400 4.320 0.000 0.000 0.212 197 A C 0.253 177.850 177.584 0.023 0.000 1.201 197 A CA -0.082 52.172 52.037 0.362 0.000 0.843 197 A CB -0.725 18.455 19.000 0.301 0.000 0.873 197 A HN 0.076 nan 8.150 nan 0.000 0.492 198 Y N -0.569 119.854 120.300 0.205 0.000 2.367 198 Y HA 0.391 4.941 4.550 0.000 0.000 0.342 198 Y C 0.468 176.538 175.900 0.283 0.000 0.979 198 Y CA -0.279 57.925 58.100 0.173 0.000 1.161 198 Y CB 0.688 39.253 38.460 0.175 0.000 1.155 198 Y HN 0.287 nan 8.280 nan 0.000 0.503 199 Y N 0.959 121.373 120.300 0.189 0.000 2.462 199 Y HA 0.249 4.800 4.550 0.000 0.000 0.253 199 Y C 0.567 176.437 175.900 -0.049 0.000 1.095 199 Y CA -0.772 57.298 58.100 -0.051 0.000 1.283 199 Y CB -0.164 38.047 38.460 -0.414 0.000 1.138 199 Y HN 0.352 nan 8.280 nan 0.000 0.522 200 L N 2.123 123.452 121.223 0.178 0.000 2.461 200 L HA 0.095 4.435 4.340 0.000 0.000 0.272 200 L C 0.416 177.335 176.870 0.082 0.000 1.197 200 L CA -0.406 54.502 54.840 0.113 0.000 0.836 200 L CB 0.265 42.412 42.059 0.146 0.000 1.105 200 L HN 0.175 nan 8.230 nan 0.000 0.477 201 D N 1.865 122.292 120.400 0.045 0.000 2.377 201 D HA 0.132 4.772 4.640 0.000 0.000 0.245 201 D C -2.103 174.204 176.300 0.012 0.000 1.196 201 D CA -1.941 52.075 54.000 0.026 0.000 0.962 201 D CB 0.322 41.130 40.800 0.014 0.000 1.127 201 D HN 0.132 nan 8.370 nan 0.000 0.471 202 P HA -0.128 nan 4.420 nan 0.000 0.215 202 P C 0.887 178.171 177.300 -0.027 0.000 1.153 202 P CA 1.415 64.502 63.100 -0.021 0.000 0.853 202 P CB 0.167 31.856 31.700 -0.018 0.000 0.788 203 E N -1.162 119.028 120.200 -0.016 0.000 2.077 203 E HA -0.117 4.233 4.350 0.000 0.000 0.193 203 E C 1.994 178.583 176.600 -0.020 0.000 0.989 203 E CA 1.601 57.989 56.400 -0.019 0.000 0.800 203 E CB -1.468 28.226 29.700 -0.011 0.000 0.746 203 E HN 0.211 nan 8.360 nan 0.000 0.452 204 T N 0.424 114.977 114.554 -0.001 0.000 2.821 204 T HA -0.097 4.253 4.350 0.000 0.000 0.267 204 T C 1.494 176.199 174.700 0.008 0.000 1.046 204 T CA 1.347 63.456 62.100 0.016 0.000 1.139 204 T CB -0.405 68.490 68.868 0.045 0.000 0.871 204 T HN 0.206 nan 8.240 nan 0.000 0.454 205 N N 0.847 119.539 118.700 -0.013 0.000 2.104 205 N HA -0.076 4.664 4.740 0.000 0.000 0.190 205 N C 1.693 177.146 175.510 -0.094 0.000 1.024 205 N CA 0.726 53.740 53.050 -0.061 0.000 0.853 205 N CB -0.243 38.181 38.487 -0.104 0.000 1.008 205 N HN 0.142 nan 8.380 nan 0.000 0.424 206 L N 1.172 122.344 121.223 -0.085 0.000 2.056 206 L HA -0.032 4.308 4.340 0.000 0.000 0.207 206 L C 1.705 178.501 176.870 -0.122 0.000 1.078 206 L CA 1.368 56.149 54.840 -0.098 0.000 0.749 206 L CB -0.413 41.601 42.059 -0.075 0.000 0.901 206 L HN 0.196 nan 8.230 nan 0.000 0.433 207 I N -0.205 120.288 120.570 -0.127 0.000 2.163 207 I HA -0.330 3.840 4.170 0.000 0.000 0.243 207 I C 2.612 178.544 176.117 -0.309 0.000 1.085 207 I CA 1.393 62.541 61.300 -0.254 0.000 1.347 207 I CB -0.768 37.142 38.000 -0.151 0.000 1.044 207 I HN 0.366 nan 8.210 nan 0.000 0.408 208 A N 0.187 122.972 122.820 -0.059 0.000 1.933 208 A HA -0.193 4.127 4.320 0.000 0.000 0.218 208 A C 2.388 180.037 177.584 0.108 0.000 1.175 208 A CA 2.413 54.520 52.037 0.116 0.000 0.628 208 A CB -1.073 18.013 19.000 0.144 0.000 0.814 208 A HN 0.406 nan 8.150 nan 0.000 0.444 209 T N 0.260 114.795 114.554 -0.033 0.000 2.777 209 T HA 0.012 4.362 4.350 0.000 0.000 0.266 209 T C 2.246 176.960 174.700 0.024 0.000 1.040 209 T CA 1.460 63.523 62.100 -0.062 0.000 1.141 209 T CB -0.458 68.301 68.868 -0.183 0.000 0.868 209 T HN 0.598 nan 8.240 nan 0.000 0.444 210 A N 1.604 124.399 122.820 -0.042 0.000 1.908 210 A HA -0.219 4.101 4.320 0.000 0.000 0.218 210 A C 2.076 179.744 177.584 0.140 0.000 1.181 210 A CA 1.734 53.772 52.037 0.001 0.000 0.627 210 A CB -0.813 18.132 19.000 -0.091 0.000 0.818 210 A HN 0.513 nan 8.150 nan 0.000 0.445 211 H N -2.672 116.451 119.070 0.088 0.000 2.428 211 H HA -0.054 4.502 4.556 0.000 0.000 0.296 211 H C 1.785 176.995 175.328 -0.197 0.000 1.062 211 H CA 1.028 57.077 56.048 0.001 0.000 1.350 211 H CB -0.793 29.012 29.762 0.072 0.000 1.403 211 H HN 0.741 nan 8.280 nan 0.000 0.533 212 Y N 1.381 121.666 120.300 -0.025 0.000 2.081 212 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 212 Y C 2.233 178.190 175.900 0.095 0.000 1.163 212 Y CA 1.532 59.648 58.100 0.025 0.000 1.135 212 Y CB -0.449 38.103 38.460 0.152 0.000 0.970 212 Y HN 0.049 nan 8.280 nan 0.000 0.498 213 L N 0.104 121.524 121.223 0.329 0.000 2.056 213 L HA -0.192 4.148 4.340 0.000 0.000 0.207 213 L C 2.580 179.485 176.870 0.058 0.000 1.078 213 L CA 1.756 56.709 54.840 0.189 0.000 0.749 213 L CB -0.659 41.488 42.059 0.146 0.000 0.901 213 L HN 0.322 nan 8.230 nan 0.000 0.433 214 E N 0.523 120.764 120.200 0.068 0.000 2.085 214 E HA -0.276 4.074 4.350 0.000 0.000 0.194 214 E C 2.193 178.716 176.600 -0.128 0.000 0.994 214 E CA 1.340 57.756 56.400 0.026 0.000 0.801 214 E CB -0.014 29.777 29.700 0.152 0.000 0.743 214 E HN 0.468 nan 8.360 nan 0.000 0.453 215 A N 0.817 123.524 122.820 -0.188 0.000 2.019 215 A HA -0.131 4.189 4.320 0.000 0.000 0.219 215 A C 2.154 179.645 177.584 -0.156 0.000 1.164 215 A CA 0.879 52.689 52.037 -0.378 0.000 0.644 215 A CB -0.545 18.181 19.000 -0.456 0.000 0.805 215 A HN 0.304 nan 8.150 nan 0.000 0.449 216 L N -1.175 119.985 121.223 -0.104 0.000 2.079 216 L HA -0.216 4.124 4.340 0.000 0.000 0.210 216 L C 2.865 179.634 176.870 -0.168 0.000 1.081 216 L CA 1.580 56.282 54.840 -0.229 0.000 0.752 216 L CB -0.406 41.498 42.059 -0.259 0.000 0.896 216 L HN 0.377 nan 8.230 nan 0.000 0.433 217 R N -0.798 119.614 120.500 -0.146 0.000 2.100 217 R HA -0.033 4.307 4.340 0.000 0.000 0.220 217 R C 2.176 178.377 176.300 -0.165 0.000 1.091 217 R CA 0.469 56.492 56.100 -0.128 0.000 0.986 217 R CB -0.183 30.059 30.300 -0.095 0.000 0.888 217 R HN 0.260 nan 8.270 nan 0.000 0.444 218 L N 2.119 123.180 121.223 -0.270 0.000 2.083 218 L HA -0.200 4.141 4.340 0.000 0.000 0.209 218 L C 1.998 178.721 176.870 -0.246 0.000 1.083 218 L CA 2.013 56.641 54.840 -0.353 0.000 0.752 218 L CB -0.553 41.033 42.059 -0.788 0.000 0.899 218 L HN 0.202 nan 8.230 nan 0.000 0.433 219 Q N -0.697 118.983 119.800 -0.200 0.000 2.226 219 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 219 Q C 1.834 177.875 176.000 0.070 0.000 0.975 219 Q CA 1.894 57.682 55.803 -0.026 0.000 0.866 219 Q CB -1.343 27.366 28.738 -0.049 0.000 0.915 219 Q HN 0.308 nan 8.270 nan 0.000 0.440 220 V N 1.164 121.063 119.914 -0.025 0.000 2.287 220 V HA -0.310 3.810 4.120 0.000 0.000 0.248 220 V C 2.241 178.304 176.094 -0.051 0.000 1.053 220 V CA 2.397 64.674 62.300 -0.038 0.000 1.027 220 V CB -0.591 31.195 31.823 -0.061 0.000 0.646 220 V HN 0.439 nan 8.190 nan 0.000 0.447 221 K N 0.075 120.435 120.400 -0.067 0.000 2.057 221 K HA -0.077 4.243 4.320 0.000 0.000 0.206 221 K C 2.332 178.891 176.600 -0.068 0.000 1.050 221 K CA 1.375 57.615 56.287 -0.078 0.000 0.935 221 K CB -0.419 32.025 32.500 -0.095 0.000 0.715 221 K HN 0.471 nan 8.250 nan 0.000 0.439 222 A N 1.569 124.377 122.820 -0.020 0.000 1.933 222 A HA -0.124 4.196 4.320 0.000 0.000 0.218 222 A C 2.353 179.945 177.584 0.012 0.000 1.175 222 A CA 1.893 53.952 52.037 0.037 0.000 0.628 222 A CB -0.605 18.477 19.000 0.138 0.000 0.814 222 A HN 0.338 nan 8.150 nan 0.000 0.444 223 A N -0.503 122.289 122.820 -0.047 0.000 1.929 223 A HA -0.091 4.229 4.320 0.000 0.000 0.216 223 A C 2.214 179.706 177.584 -0.153 0.000 1.176 223 A CA 1.473 53.365 52.037 -0.243 0.000 0.628 223 A CB -0.476 18.276 19.000 -0.414 0.000 0.816 223 A HN 0.538 nan 8.150 nan 0.000 0.444 224 R N -0.139 120.292 120.500 -0.115 0.000 2.105 224 R HA -0.151 4.189 4.340 0.000 0.000 0.239 224 R C 2.195 178.423 176.300 -0.120 0.000 1.135 224 R CA 1.433 57.470 56.100 -0.106 0.000 0.967 224 R CB -0.408 29.838 30.300 -0.090 0.000 0.861 224 R HN 0.438 nan 8.270 nan 0.000 0.442 225 A N 0.840 123.577 122.820 -0.138 0.000 1.940 225 A HA -0.207 4.113 4.320 0.000 0.000 0.219 225 A C 2.170 179.709 177.584 -0.075 0.000 1.176 225 A CA 1.778 53.707 52.037 -0.181 0.000 0.631 225 A CB -0.438 18.370 19.000 -0.320 0.000 0.814 225 A HN 0.387 nan 8.150 nan 0.000 0.446 226 M N -0.762 118.790 119.600 -0.080 0.000 2.229 226 M HA -0.100 4.380 4.480 0.000 0.000 0.264 226 M C 2.410 178.596 176.300 -0.189 0.000 1.063 226 M CA 1.308 56.536 55.300 -0.119 0.000 1.114 226 M CB -0.310 32.225 32.600 -0.108 0.000 1.387 226 M HN 0.462 nan 8.290 nan 0.000 0.420 227 A N -0.231 122.503 122.820 -0.143 0.000 2.066 227 A HA -0.027 4.293 4.320 0.000 0.000 0.218 227 A C 2.210 179.720 177.584 -0.124 0.000 1.157 227 A CA 0.890 52.857 52.037 -0.117 0.000 0.670 227 A CB -0.768 18.186 19.000 -0.078 0.000 0.804 227 A HN 0.276 nan 8.150 nan 0.000 0.453 228 V N -0.949 118.862 119.914 -0.171 0.000 2.282 228 V HA -0.268 3.852 4.120 0.000 0.000 0.249 228 V C 2.211 178.240 176.094 -0.107 0.000 1.057 228 V CA 2.301 64.490 62.300 -0.184 0.000 1.032 228 V CB -0.883 30.763 31.823 -0.295 0.000 0.645 228 V HN 0.606 nan 8.190 nan 0.000 0.447 229 F N 0.444 120.283 119.950 -0.185 0.000 2.446 229 F HA 0.328 4.855 4.527 0.000 0.000 0.292 229 F C 2.165 177.661 175.800 -0.507 0.000 1.096 229 F CA 0.485 58.282 58.000 -0.338 0.000 1.438 229 F CB -1.099 37.607 39.000 -0.490 0.000 1.107 229 F HN 0.179 nan 8.300 nan 0.000 0.546 230 G N -1.326 107.216 108.800 -0.429 0.000 3.337 230 G HA2 0.433 4.393 3.960 0.000 0.000 0.246 230 G HA3 0.433 4.393 3.960 0.000 0.000 0.246 230 G C 1.202 176.070 174.900 -0.053 0.000 1.131 230 G CA 0.550 45.310 45.100 -0.566 0.000 0.773 230 G HN 0.416 nan 8.290 nan 0.000 0.544 231 A N -0.303 122.507 122.820 -0.017 0.000 1.710 231 A HA -0.159 4.161 4.320 0.000 0.000 0.225 231 A C 0.797 178.395 177.584 0.024 0.000 0.527 231 A CA 1.836 53.901 52.037 0.045 0.000 1.123 231 A CB -1.619 17.448 19.000 0.111 0.000 1.445 231 A HN 1.371 nan 8.150 nan 0.000 0.714 232 K N -0.767 119.646 120.400 0.022 0.000 2.625 232 K HA 0.616 4.936 4.320 0.000 0.000 0.284 232 K C -1.123 175.479 176.600 0.004 0.000 0.984 232 K CA -0.099 56.195 56.287 0.011 0.000 0.865 232 K CB 0.956 33.477 32.500 0.034 0.000 1.468 232 K HN 0.854 nan 8.250 nan 0.000 0.407 233 N N 1.278 119.958 118.700 -0.033 0.000 2.397 233 N HA 0.462 5.202 4.740 0.000 0.000 0.291 233 N C -2.765 172.694 175.510 -0.085 0.000 1.065 233 N CA -1.049 51.965 53.050 -0.060 0.000 0.884 233 N CB 1.855 40.271 38.487 -0.119 0.000 1.551 233 N HN 0.502 nan 8.380 nan 0.000 0.487 234 P HA 0.321 nan 4.420 nan 0.000 0.278 234 P C -1.321 175.964 177.300 -0.025 0.000 1.258 234 P CA 0.131 63.144 63.100 -0.145 0.000 0.811 234 P CB 0.347 31.846 31.700 -0.334 0.000 1.063 235 H N -2.086 117.031 119.070 0.079 0.000 3.302 235 H HA -0.087 4.469 4.556 0.000 0.000 0.341 235 H C 0.056 175.466 175.328 0.137 0.000 1.049 235 H CA -0.086 56.030 56.048 0.113 0.000 1.073 235 H CB -1.444 28.368 29.762 0.084 0.000 1.565 235 H HN 0.597 nan 8.280 nan 0.000 0.375 236 T N 0.209 114.954 114.554 0.318 0.000 2.795 236 T HA 0.145 4.495 4.350 0.000 0.000 0.314 236 T C 0.652 175.548 174.700 0.327 0.000 1.069 236 T CA -0.298 61.989 62.100 0.311 0.000 1.071 236 T CB 2.048 71.154 68.868 0.397 0.000 0.988 236 T HN 0.654 nan 8.240 nan 0.000 0.543 237 Q N 0.862 120.879 119.800 0.361 0.000 3.712 237 Q HA 0.384 4.724 4.340 0.000 0.000 0.242 237 Q C -0.797 175.403 176.000 0.332 0.000 0.837 237 Q CA -0.545 55.430 55.803 0.287 0.000 0.826 237 Q CB 0.148 29.007 28.738 0.201 0.000 1.529 237 Q HN 0.879 nan 8.270 nan 0.000 0.405 238 F N -2.167 117.843 119.950 0.100 0.000 2.975 238 F HA 0.363 4.890 4.527 0.000 0.000 0.366 238 F C 0.127 175.965 175.800 0.063 0.000 1.071 238 F CA -0.365 57.675 58.000 0.068 0.000 1.102 238 F CB 0.419 39.440 39.000 0.034 0.000 1.176 238 F HN 0.010 nan 8.300 nan 0.000 0.545 239 T N 1.718 115.928 114.554 -0.574 0.000 2.875 239 T HA 0.704 5.054 4.350 0.000 0.000 0.284 239 T C -0.276 174.317 174.700 -0.179 0.000 0.995 239 T CA -0.173 61.632 62.100 -0.491 0.000 1.060 239 T CB 2.015 70.559 68.868 -0.540 0.000 0.967 239 T HN 0.570 nan 8.240 nan 0.000 0.476 240 V N -0.586 119.253 119.914 -0.124 0.000 3.130 240 V HA 0.712 4.832 4.120 0.000 0.000 0.310 240 V C -0.047 175.986 176.094 -0.102 0.000 1.158 240 V CA -1.454 60.825 62.300 -0.035 0.000 1.029 240 V CB 1.434 33.303 31.823 0.078 0.000 1.057 240 V HN 0.808 nan 8.190 nan 0.000 0.436 241 V N 2.560 122.390 119.914 -0.140 0.000 2.617 241 V HA 0.443 4.563 4.120 0.000 0.000 0.304 241 V C 1.729 177.646 176.094 -0.294 0.000 1.040 241 V CA 1.862 63.910 62.300 -0.420 0.000 1.149 241 V CB -0.145 31.103 31.823 -0.958 0.000 0.914 241 V HN 1.998 nan 8.190 nan 0.000 0.487 242 G N 2.719 111.355 108.800 -0.273 0.000 2.213 242 G HA2 0.096 4.057 3.960 0.000 0.000 0.236 242 G HA3 0.096 4.057 3.960 0.000 0.000 0.236 242 G C 0.671 175.580 174.900 0.015 0.000 0.991 242 G CA 0.074 45.156 45.100 -0.031 0.000 0.629 242 G HN 1.982 nan 8.290 nan 0.000 0.517 243 G N -1.944 106.836 108.800 -0.033 0.000 2.553 243 G HA2 0.585 4.545 3.960 0.000 0.000 0.106 243 G HA3 0.585 4.545 3.960 0.000 0.000 0.106 243 G C -0.295 174.567 174.900 -0.063 0.000 1.126 243 G CA 1.149 46.229 45.100 -0.034 0.000 1.075 243 G HN 1.942 nan 8.290 nan 0.000 0.472 244 V N -2.475 117.410 119.914 -0.049 0.000 3.160 244 V HA 0.877 4.997 4.120 0.000 0.000 0.310 244 V C 0.918 176.980 176.094 -0.054 0.000 1.181 244 V CA 0.788 63.065 62.300 -0.037 0.000 1.047 244 V CB 1.315 33.181 31.823 0.072 0.000 1.068 244 V HN 1.771 nan 8.190 nan 0.000 0.441 245 T N -2.749 111.810 114.554 0.009 0.000 3.001 245 T HA 0.062 4.412 4.350 0.000 0.000 0.251 245 T C 0.805 175.476 174.700 -0.048 0.000 1.040 245 T CA 0.801 62.902 62.100 0.002 0.000 0.985 245 T CB -0.741 68.192 68.868 0.109 0.000 1.011 245 T HN 1.430 nan 8.240 nan 0.000 0.509 246 C N 2.074 121.356 119.300 -0.029 0.000 2.518 246 C HA 0.532 4.992 4.460 0.000 0.000 0.456 246 C C 1.368 176.315 174.990 -0.071 0.000 1.016 246 C CA -1.603 57.425 59.018 0.017 0.000 1.210 246 C CB -2.706 25.074 27.740 0.068 0.000 1.542 246 C HN 0.410 nan 8.230 nan 0.000 0.545 247 Y N 0.468 120.808 120.300 0.067 0.000 2.315 247 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 247 Y C 2.256 178.183 175.900 0.045 0.000 1.154 247 Y CA 2.127 60.257 58.100 0.050 0.000 1.229 247 Y CB -0.219 38.269 38.460 0.046 0.000 0.980 247 Y HN 0.568 nan 8.280 nan 0.000 0.540 248 D N -0.241 120.268 120.400 0.182 0.000 2.263 248 D HA -0.124 4.516 4.640 0.000 0.000 0.208 248 D C 2.075 178.448 176.300 0.122 0.000 0.971 248 D CA 0.947 55.030 54.000 0.139 0.000 0.867 248 D CB -0.154 40.724 40.800 0.129 0.000 0.929 248 D HN 0.286 nan 8.370 nan 0.000 0.492 249 A N -0.264 122.601 122.820 0.075 0.000 2.121 249 A HA -0.045 4.275 4.320 0.000 0.000 0.218 249 A C 2.134 179.706 177.584 -0.020 0.000 1.154 249 A CA 0.554 52.581 52.037 -0.017 0.000 0.679 249 A CB -0.521 18.247 19.000 -0.387 0.000 0.795 249 A HN 0.355 nan 8.150 nan 0.000 0.458 250 L N 0.369 121.605 121.223 0.022 0.000 2.478 250 L HA 0.001 4.341 4.340 0.000 0.000 0.223 250 L C 1.402 178.259 176.870 -0.023 0.000 1.140 250 L CA 0.643 55.475 54.840 -0.013 0.000 0.842 250 L CB -0.663 41.413 42.059 0.029 0.000 0.953 250 L HN 0.502 nan 8.230 nan 0.000 0.452 251 T N -3.600 110.977 114.554 0.038 0.000 2.913 251 T HA 0.169 4.519 4.350 0.000 0.000 0.297 251 T C -1.718 173.005 174.700 0.037 0.000 1.029 251 T CA -1.717 60.406 62.100 0.038 0.000 1.104 251 T CB 1.227 70.132 68.868 0.062 0.000 0.964 251 T HN -0.166 nan 8.240 nan 0.000 0.532 252 P HA -0.084 nan 4.420 nan 0.000 0.218 252 P C 1.381 178.714 177.300 0.055 0.000 1.148 252 P CA 0.997 64.109 63.100 0.020 0.000 0.822 252 P CB 0.068 31.771 31.700 0.005 0.000 0.784 253 Q N -0.863 118.972 119.800 0.059 0.000 2.046 253 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 253 Q C 2.339 178.396 176.000 0.096 0.000 0.975 253 Q CA 1.271 57.113 55.803 0.065 0.000 0.836 253 Q CB -0.509 28.260 28.738 0.052 0.000 0.896 253 Q HN 0.103 nan 8.270 nan 0.000 0.428 254 R N 0.300 120.879 120.500 0.132 0.000 2.075 254 R HA 0.001 4.341 4.340 0.000 0.000 0.232 254 R C 2.245 178.708 176.300 0.272 0.000 1.126 254 R CA 1.043 57.259 56.100 0.193 0.000 0.963 254 R CB -0.607 29.851 30.300 0.264 0.000 0.858 254 R HN 0.360 nan 8.270 nan 0.000 0.435 255 I N 0.679 121.424 120.570 0.292 0.000 2.226 255 I HA -0.265 3.905 4.170 0.000 0.000 0.245 255 I C 2.470 178.737 176.117 0.249 0.000 1.100 255 I CA 1.432 62.928 61.300 0.328 0.000 1.374 255 I CB -0.410 37.702 38.000 0.187 0.000 1.057 255 I HN 0.087 nan 8.210 nan 0.000 0.413 256 A N 0.035 122.949 122.820 0.156 0.000 1.930 256 A HA -0.248 4.072 4.320 0.000 0.000 0.217 256 A C 2.323 179.973 177.584 0.110 0.000 1.175 256 A CA 1.757 53.866 52.037 0.121 0.000 0.627 256 A CB -0.572 18.474 19.000 0.076 0.000 0.815 256 A HN 0.496 nan 8.150 nan 0.000 0.443 257 E N -1.167 119.091 120.200 0.097 0.000 2.051 257 E HA -0.205 4.145 4.350 0.000 0.000 0.192 257 E C 1.790 178.410 176.600 0.034 0.000 0.991 257 E CA 1.314 57.743 56.400 0.049 0.000 0.799 257 E CB -0.274 29.445 29.700 0.031 0.000 0.748 257 E HN 0.593 nan 8.360 nan 0.000 0.449 258 F N 1.956 121.840 119.950 -0.110 0.000 2.069 258 F HA -0.229 4.298 4.527 0.000 0.000 0.298 258 F C 2.317 178.134 175.800 0.028 0.000 1.113 258 F CA 2.272 60.168 58.000 -0.174 0.000 1.214 258 F CB -0.246 38.504 39.000 -0.417 0.000 0.978 258 F HN 0.069 nan 8.300 nan 0.000 0.474 259 E N 0.058 120.409 120.200 0.253 0.000 2.085 259 E HA -0.249 4.101 4.350 0.000 0.000 0.194 259 E C 2.213 178.924 176.600 0.185 0.000 0.994 259 E CA 1.164 57.746 56.400 0.303 0.000 0.801 259 E CB -0.355 29.521 29.700 0.294 0.000 0.743 259 E HN 0.499 nan 8.360 nan 0.000 0.453 260 A N 0.616 123.475 122.820 0.065 0.000 1.930 260 A HA -0.115 4.206 4.320 0.000 0.000 0.217 260 A C 2.157 179.697 177.584 -0.073 0.000 1.175 260 A CA 0.986 53.019 52.037 -0.005 0.000 0.627 260 A CB -0.515 18.480 19.000 -0.007 0.000 0.815 260 A HN 0.289 nan 8.150 nan 0.000 0.443 261 L N -2.372 118.783 121.223 -0.113 0.000 2.056 261 L HA -0.171 4.169 4.340 0.000 0.000 0.207 261 L C 2.505 179.268 176.870 -0.179 0.000 1.078 261 L CA 1.546 56.289 54.840 -0.161 0.000 0.749 261 L CB -0.533 41.402 42.059 -0.208 0.000 0.901 261 L HN 0.782 nan 8.230 nan 0.000 0.433 262 W N 1.527 122.579 121.300 -0.413 0.000 2.335 262 W HA -0.224 4.436 4.660 0.000 0.000 0.311 262 W C 2.427 178.851 176.519 -0.158 0.000 1.213 262 W CA 1.490 58.626 57.345 -0.349 0.000 1.274 262 W CB -0.149 29.027 29.460 -0.473 0.000 1.148 262 W HN -0.110 nan 8.180 nan 0.000 0.498 263 K N -0.008 120.039 120.400 -0.588 0.000 2.057 263 K HA -0.258 4.062 4.320 0.000 0.000 0.207 263 K C 2.072 178.389 176.600 -0.470 0.000 1.049 263 K CA 1.963 57.777 56.287 -0.789 0.000 0.931 263 K CB -0.489 31.765 32.500 -0.409 0.000 0.714 263 K HN 0.318 nan 8.250 nan 0.000 0.440 264 E N 0.130 120.165 120.200 -0.274 0.000 2.106 264 E HA -0.141 4.209 4.350 0.000 0.000 0.192 264 E C 1.598 178.126 176.600 -0.121 0.000 0.984 264 E CA 1.366 57.669 56.400 -0.162 0.000 0.806 264 E CB 0.189 29.820 29.700 -0.114 0.000 0.750 264 E HN 0.189 nan 8.360 nan 0.000 0.458 265 T N 0.793 115.257 114.554 -0.150 0.000 2.737 265 T HA -0.163 4.187 4.350 0.000 0.000 0.265 265 T C 1.771 176.462 174.700 -0.014 0.000 1.038 265 T CA 1.451 63.522 62.100 -0.049 0.000 1.144 265 T CB -0.173 68.677 68.868 -0.029 0.000 0.866 265 T HN 0.158 nan 8.240 nan 0.000 0.434 266 K N 1.168 121.438 120.400 -0.215 0.000 2.063 266 K HA -0.078 4.242 4.320 0.000 0.000 0.208 266 K C 2.497 179.031 176.600 -0.110 0.000 1.048 266 K CA 1.312 57.482 56.287 -0.195 0.000 0.928 266 K CB -0.355 31.858 32.500 -0.480 0.000 0.713 266 K HN 0.269 nan 8.250 nan 0.000 0.442 267 A N 0.694 123.428 122.820 -0.143 0.000 1.908 267 A HA -0.187 4.133 4.320 0.000 0.000 0.218 267 A C 2.022 179.598 177.584 -0.014 0.000 1.181 267 A CA 1.507 53.493 52.037 -0.085 0.000 0.627 267 A CB -0.855 18.090 19.000 -0.092 0.000 0.818 267 A HN 0.540 nan 8.150 nan 0.000 0.445 268 F N 0.533 120.437 119.950 -0.078 0.000 2.134 268 F HA -0.150 4.377 4.527 0.000 0.000 0.299 268 F C 2.272 178.094 175.800 0.037 0.000 1.097 268 F CA 1.871 59.849 58.000 -0.037 0.000 1.264 268 F CB -0.225 38.754 39.000 -0.036 0.000 1.001 268 F HN 0.038 nan 8.300 nan 0.000 0.479 269 V N 0.605 120.643 119.914 0.205 0.000 2.252 269 V HA -0.360 3.760 4.120 0.000 0.000 0.249 269 V C 2.037 178.120 176.094 -0.019 0.000 1.056 269 V CA 2.405 64.818 62.300 0.189 0.000 1.022 269 V CB -0.701 31.252 31.823 0.216 0.000 0.641 269 V HN 0.314 nan 8.190 nan 0.000 0.445 270 D N -0.583 119.788 120.400 -0.049 0.000 2.149 270 D HA -0.102 4.538 4.640 0.000 0.000 0.201 270 D C 2.157 178.383 176.300 -0.122 0.000 0.972 270 D CA 1.166 55.115 54.000 -0.086 0.000 0.835 270 D CB -0.068 40.692 40.800 -0.067 0.000 0.966 270 D HN 0.594 nan 8.370 nan 0.000 0.476 271 E N -0.580 119.527 120.200 -0.156 0.000 2.431 271 E HA 0.069 4.419 4.350 0.000 0.000 0.200 271 E C 1.481 177.924 176.600 -0.260 0.000 0.995 271 E CA 0.044 56.341 56.400 -0.172 0.000 0.915 271 E CB 1.195 30.808 29.700 -0.144 0.000 0.930 271 E HN 0.052 nan 8.360 nan 0.000 0.496 272 V N -0.291 119.369 119.914 -0.423 0.000 3.134 272 V HA -0.069 4.051 4.120 0.000 0.000 0.222 272 V C 1.589 177.517 176.094 -0.277 0.000 1.247 272 V CA 0.300 62.231 62.300 -0.614 0.000 1.281 272 V CB -0.623 30.408 31.823 -1.320 0.000 1.169 272 V HN 0.155 nan 8.190 nan 0.000 0.512 273 Y N 1.773 121.820 120.300 -0.422 0.000 2.070 273 Y HA -0.185 4.365 4.550 0.000 0.000 0.279 273 Y C 2.367 178.113 175.900 -0.256 0.000 1.134 273 Y CA 1.671 59.682 58.100 -0.147 0.000 1.113 273 Y CB -0.573 37.884 38.460 -0.004 0.000 0.981 273 Y HN 0.106 nan 8.280 nan 0.000 0.487 274 I N 0.947 121.305 120.570 -0.354 0.000 2.179 274 I HA -0.197 3.973 4.170 0.000 0.000 0.242 274 I C -0.396 175.568 176.117 -0.255 0.000 1.088 274 I CA 1.364 62.396 61.300 -0.447 0.000 1.357 274 I CB -2.765 35.021 38.000 -0.356 0.000 1.051 274 I HN 0.190 nan 8.210 nan 0.000 0.409 275 P HA -0.123 nan 4.420 nan 0.000 0.216 275 P C 1.170 178.459 177.300 -0.018 0.000 1.150 275 P CA 1.443 64.499 63.100 -0.075 0.000 0.837 275 P CB 0.042 31.713 31.700 -0.048 0.000 0.786 276 D N -1.064 119.362 120.400 0.044 0.000 2.117 276 D HA -0.114 4.526 4.640 0.000 0.000 0.198 276 D C 1.846 178.198 176.300 0.087 0.000 0.982 276 D CA 0.749 54.852 54.000 0.173 0.000 0.828 276 D CB -0.929 40.121 40.800 0.417 0.000 0.967 276 D HN 0.010 nan 8.370 nan 0.000 0.464 277 L N 0.656 121.762 121.223 -0.195 0.000 2.013 277 L HA -0.155 4.185 4.340 0.000 0.000 0.212 277 L C 2.030 178.809 176.870 -0.153 0.000 1.073 277 L CA 1.593 56.231 54.840 -0.338 0.000 0.753 277 L CB -0.617 41.046 42.059 -0.659 0.000 0.890 277 L HN 0.036 nan 8.230 nan 0.000 0.432 278 L N -1.932 119.207 121.223 -0.140 0.000 2.093 278 L HA -0.153 4.187 4.340 0.000 0.000 0.208 278 L C 2.435 179.287 176.870 -0.031 0.000 1.085 278 L CA 0.730 55.515 54.840 -0.091 0.000 0.755 278 L CB -0.622 41.381 42.059 -0.094 0.000 0.904 278 L HN 0.118 nan 8.230 nan 0.000 0.435 279 V N -0.618 119.300 119.914 0.005 0.000 2.358 279 V HA -0.221 3.899 4.120 0.000 0.000 0.246 279 V C 2.408 178.541 176.094 0.064 0.000 1.047 279 V CA 1.381 63.704 62.300 0.039 0.000 1.035 279 V CB 0.003 31.864 31.823 0.064 0.000 0.658 279 V HN 0.178 nan 8.190 nan 0.000 0.452 280 V N 0.217 120.183 119.914 0.086 0.000 2.307 280 V HA -0.224 3.896 4.120 0.000 0.000 0.245 280 V C 2.698 178.840 176.094 0.079 0.000 1.045 280 V CA 1.948 64.311 62.300 0.105 0.000 1.024 280 V CB -1.095 30.752 31.823 0.041 0.000 0.651 280 V HN 0.554 nan 8.190 nan 0.000 0.449 281 A N 0.081 122.891 122.820 -0.016 0.000 1.940 281 A HA -0.151 4.170 4.320 0.000 0.000 0.219 281 A C 2.416 180.032 177.584 0.054 0.000 1.176 281 A CA 2.144 54.176 52.037 -0.008 0.000 0.631 281 A CB -0.787 18.176 19.000 -0.061 0.000 0.814 281 A HN 0.583 nan 8.150 nan 0.000 0.446 282 A N -0.289 122.549 122.820 0.030 0.000 1.933 282 A HA 0.169 4.489 4.320 0.000 0.000 0.218 282 A C 2.412 180.018 177.584 0.036 0.000 1.175 282 A CA 1.965 54.016 52.037 0.024 0.000 0.628 282 A CB -0.829 18.174 19.000 0.005 0.000 0.814 282 A HN 1.079 nan 8.150 nan 0.000 0.444 283 A N -2.326 120.520 122.820 0.044 0.000 2.066 283 A HA 0.119 4.439 4.320 0.000 0.000 0.218 283 A C 1.148 178.695 177.584 -0.061 0.000 1.157 283 A CA 0.807 52.825 52.037 -0.032 0.000 0.670 283 A CB -0.391 18.564 19.000 -0.074 0.000 0.804 283 A HN 0.555 nan 8.150 nan 0.000 0.453 284 Y N -0.605 119.790 120.300 0.160 0.000 2.722 284 Y HA 0.264 4.814 4.550 0.000 0.000 0.314 284 Y C 1.361 177.419 175.900 0.265 0.000 1.008 284 Y CA -0.485 57.780 58.100 0.275 0.000 1.294 284 Y CB 0.391 38.873 38.460 0.037 0.000 1.231 284 Y HN 0.146 nan 8.280 nan 0.000 0.558 285 K N 0.442 120.990 120.400 0.246 0.000 2.362 285 K HA -0.149 4.171 4.320 0.000 0.000 0.200 285 K C 1.304 177.974 176.600 0.116 0.000 1.046 285 K CA 1.364 57.736 56.287 0.141 0.000 0.952 285 K CB 0.066 32.599 32.500 0.055 0.000 0.753 285 K HN 0.551 nan 8.250 nan 0.000 0.466 286 D N -0.337 120.163 120.400 0.166 0.000 2.263 286 D HA -0.200 4.440 4.640 0.000 0.000 0.208 286 D C 1.031 177.188 176.300 -0.239 0.000 0.971 286 D CA 0.729 54.724 54.000 -0.009 0.000 0.867 286 D CB -0.559 40.300 40.800 0.099 0.000 0.929 286 D HN 0.255 nan 8.370 nan 0.000 0.492 287 W N 1.825 123.154 121.300 0.049 0.000 3.077 287 W HA 0.055 4.716 4.660 0.000 0.000 0.245 287 W C 1.985 178.465 176.519 -0.065 0.000 1.316 287 W CA 1.133 58.503 57.345 0.041 0.000 1.537 287 W CB -0.326 29.201 29.460 0.110 0.000 1.131 287 W HN 0.076 nan 8.180 nan 0.000 0.695 288 T N -3.137 111.402 114.554 -0.025 0.000 3.072 288 T HA -0.138 4.212 4.350 0.000 0.000 0.266 288 T C 1.347 175.937 174.700 -0.183 0.000 1.127 288 T CA 0.945 63.005 62.100 -0.067 0.000 1.107 288 T CB -0.070 68.763 68.868 -0.058 0.000 0.910 288 T HN 0.283 nan 8.240 nan 0.000 0.513 289 Q N -0.310 119.201 119.800 -0.481 0.000 2.282 289 Q HA 0.245 4.585 4.340 0.000 0.000 0.206 289 Q C -0.817 174.838 176.000 -0.575 0.000 0.878 289 Q CA 0.024 55.478 55.803 -0.582 0.000 0.944 289 Q CB 0.444 28.683 28.738 -0.832 0.000 1.100 289 Q HN 0.615 nan 8.270 nan 0.000 0.509 290 Y N -0.990 119.244 120.300 -0.110 0.000 2.536 290 Y HA 0.542 5.092 4.550 0.000 0.000 0.347 290 Y C 1.003 176.948 175.900 0.074 0.000 1.000 290 Y CA -1.297 56.750 58.100 -0.089 0.000 1.051 290 Y CB 1.528 39.796 38.460 -0.320 0.000 1.259 290 Y HN 0.048 nan 8.280 nan 0.000 0.468 291 G N 0.321 109.292 108.800 0.285 0.000 2.160 291 G HA2 -0.120 3.840 3.960 0.000 0.000 0.244 291 G HA3 -0.120 3.840 3.960 0.000 0.000 0.244 291 G C 0.367 175.409 174.900 0.236 0.000 1.022 291 G CA -0.033 45.231 45.100 0.274 0.000 0.741 291 G HN 1.173 nan 8.290 nan 0.000 0.508 292 G N -0.724 108.206 108.800 0.217 0.000 2.572 292 G HA2 0.789 4.749 3.960 0.000 0.000 0.261 292 G HA3 0.789 4.749 3.960 0.000 0.000 0.261 292 G C 0.348 175.387 174.900 0.232 0.000 1.197 292 G CA 0.873 46.120 45.100 0.244 0.000 0.870 292 G HN 1.502 nan 8.290 nan 0.000 0.548 293 T N -2.367 112.342 114.554 0.258 0.000 2.865 293 T HA 0.505 4.855 4.350 0.000 0.000 0.294 293 T C -0.245 174.487 174.700 0.054 0.000 1.119 293 T CA -0.720 61.455 62.100 0.126 0.000 1.007 293 T CB 2.402 71.317 68.868 0.078 0.000 1.225 293 T HN 0.240 nan 8.240 nan 0.000 0.515 294 D N 0.201 120.541 120.400 -0.099 0.000 2.431 294 D HA 0.185 4.825 4.640 0.000 0.000 0.235 294 D C 0.009 176.203 176.300 -0.177 0.000 0.980 294 D CA 0.596 54.552 54.000 -0.073 0.000 0.912 294 D CB 0.229 41.011 40.800 -0.029 0.000 1.056 294 D HN 0.491 nan 8.370 nan 0.000 0.494 295 N N 0.004 118.416 118.700 -0.481 0.000 2.265 295 N HA 0.423 5.163 4.740 0.000 0.000 0.300 295 N C -1.161 173.817 175.510 -0.887 0.000 1.148 295 N CA -0.379 52.412 53.050 -0.431 0.000 0.772 295 N CB 2.075 40.468 38.487 -0.156 0.000 1.434 295 N HN -0.134 nan 8.380 nan 0.000 0.481 296 F N 0.551 120.381 119.950 -0.200 0.000 2.581 296 F HA 0.577 5.104 4.527 0.000 0.000 0.311 296 F C -0.192 175.394 175.800 -0.357 0.000 1.113 296 F CA -0.792 57.099 58.000 -0.181 0.000 0.935 296 F CB 2.109 41.092 39.000 -0.028 0.000 1.232 296 F HN 0.220 nan 8.300 nan 0.000 0.445 297 I N 1.478 121.886 120.570 -0.271 0.000 2.647 297 I HA 0.708 4.878 4.170 0.000 0.000 0.295 297 I C -1.140 174.686 176.117 -0.485 0.000 1.078 297 I CA 0.012 61.018 61.300 -0.491 0.000 1.048 297 I CB 2.268 39.796 38.000 -0.787 0.000 1.239 297 I HN 0.641 nan 8.210 nan 0.000 0.421 298 T N 5.418 119.699 114.554 -0.454 0.000 2.923 298 T HA 0.487 4.838 4.350 0.000 0.000 0.311 298 T C -0.136 174.386 174.700 -0.297 0.000 1.183 298 T CA -0.311 61.538 62.100 -0.418 0.000 1.020 298 T CB 0.981 69.712 68.868 -0.228 0.000 1.165 298 T HN 0.465 nan 8.240 nan 0.000 0.482 299 F N 1.689 121.401 119.950 -0.396 0.000 2.721 299 F HA 0.407 4.934 4.527 0.000 0.000 0.301 299 F C 1.662 177.329 175.800 -0.221 0.000 1.096 299 F CA -0.170 57.563 58.000 -0.444 0.000 1.308 299 F CB 0.690 39.458 39.000 -0.388 0.000 1.086 299 F HN 0.930 nan 8.300 nan 0.000 0.587 300 G N 1.951 110.788 108.800 0.061 0.000 2.755 300 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 300 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 300 G C -1.287 173.684 174.900 0.119 0.000 1.427 300 G CA -0.704 44.467 45.100 0.118 0.000 0.873 300 G HN 0.238 nan 8.290 nan 0.000 0.580 301 E N -0.952 119.354 120.200 0.177 0.000 2.412 301 E HA 0.711 5.061 4.350 0.000 0.000 0.279 301 E C -0.240 176.389 176.600 0.049 0.000 0.984 301 E CA -0.576 55.794 56.400 -0.050 0.000 0.788 301 E CB 0.737 30.274 29.700 -0.271 0.000 1.277 301 E HN 1.632 nan 8.360 nan 0.000 0.455 302 F N 0.338 120.407 119.950 0.199 0.000 2.561 302 F HA -0.133 4.394 4.527 0.000 0.000 0.427 302 F C -2.135 173.753 175.800 0.148 0.000 1.139 302 F CA 0.103 58.212 58.000 0.183 0.000 1.360 302 F CB -1.090 38.058 39.000 0.247 0.000 1.972 302 F HN 0.220 nan 8.300 nan 0.000 0.767 303 P HA 0.115 nan 4.420 nan 0.000 0.274 303 P C 0.309 177.659 177.300 0.084 0.000 1.231 303 P CA -0.280 62.887 63.100 0.112 0.000 0.790 303 P CB 1.365 33.092 31.700 0.046 0.000 0.951 304 K N 0.393 120.837 120.400 0.075 0.000 2.211 304 K HA 0.046 4.366 4.320 0.000 0.000 0.201 304 K C 0.276 176.887 176.600 0.018 0.000 1.052 304 K CA 1.040 57.342 56.287 0.024 0.000 0.973 304 K CB 0.052 32.588 32.500 0.059 0.000 0.766 304 K HN 0.515 nan 8.250 nan 0.000 0.466 305 D N 0.772 121.205 120.400 0.055 0.000 2.549 305 D HA 0.083 4.723 4.640 0.000 0.000 0.251 305 D C 0.486 176.842 176.300 0.094 0.000 1.153 305 D CA -0.098 53.959 54.000 0.095 0.000 0.861 305 D CB 1.297 42.166 40.800 0.115 0.000 1.207 305 D HN -0.190 nan 8.370 nan 0.000 0.543 306 E N 2.496 122.752 120.200 0.094 0.000 2.333 306 E HA -0.164 4.186 4.350 0.000 0.000 0.198 306 E C 0.416 176.932 176.600 -0.139 0.000 1.007 306 E CA 0.896 57.276 56.400 -0.034 0.000 0.845 306 E CB 0.143 29.784 29.700 -0.099 0.000 0.766 306 E HN 0.623 nan 8.360 nan 0.000 0.507 307 Y N -0.144 120.143 120.300 -0.021 0.000 2.485 307 Y HA 0.147 4.697 4.550 0.000 0.000 0.260 307 Y C 0.256 176.178 175.900 0.036 0.000 1.173 307 Y CA -0.300 57.801 58.100 0.002 0.000 1.252 307 Y CB 0.751 39.224 38.460 0.022 0.000 1.123 307 Y HN -0.190 nan 8.280 nan 0.000 0.524 308 D N -0.069 120.413 120.400 0.136 0.000 2.402 308 D HA 0.223 4.863 4.640 0.000 0.000 0.252 308 D C 0.569 176.905 176.300 0.059 0.000 1.294 308 D CA -0.131 53.928 54.000 0.098 0.000 0.948 308 D CB 0.805 41.666 40.800 0.102 0.000 1.202 308 D HN 0.102 nan 8.370 nan 0.000 0.561 309 L N 2.705 123.947 121.223 0.031 0.000 2.187 309 L HA -0.105 4.235 4.340 0.000 0.000 0.213 309 L C 1.451 178.343 176.870 0.038 0.000 1.100 309 L CA 0.923 55.771 54.840 0.013 0.000 0.765 309 L CB -0.283 41.752 42.059 -0.041 0.000 0.904 309 L HN 0.374 nan 8.230 nan 0.000 0.437 310 N N -0.723 118.003 118.700 0.044 0.000 2.521 310 N HA -0.102 4.638 4.740 0.000 0.000 0.188 310 N C 1.684 177.225 175.510 0.052 0.000 1.146 310 N CA 0.689 53.767 53.050 0.047 0.000 0.893 310 N CB 0.131 38.643 38.487 0.042 0.000 0.975 310 N HN 0.272 nan 8.380 nan 0.000 0.451 311 S N -0.046 115.692 115.700 0.062 0.000 2.593 311 S HA 0.119 4.589 4.470 0.000 0.000 0.217 311 S C 0.675 175.332 174.600 0.096 0.000 0.966 311 S CA -0.323 57.920 58.200 0.073 0.000 0.914 311 S CB 0.202 63.447 63.200 0.075 0.000 0.776 311 S HN 0.120 nan 8.310 nan 0.000 0.523 312 R N 0.048 120.609 120.500 0.102 0.000 2.490 312 R HA 0.333 4.673 4.340 0.000 0.000 0.278 312 R C 0.731 177.125 176.300 0.157 0.000 1.069 312 R CA -0.307 55.884 56.100 0.151 0.000 1.080 312 R CB 0.235 30.617 30.300 0.137 0.000 1.030 312 R HN 0.283 nan 8.270 nan 0.000 0.491 313 F N 1.804 121.757 119.950 0.005 0.000 2.126 313 F HA -0.068 4.459 4.527 0.000 0.000 0.299 313 F C 0.017 175.688 175.800 -0.215 0.000 1.096 313 F CA 1.253 59.105 58.000 -0.248 0.000 1.255 313 F CB 0.186 38.804 39.000 -0.636 0.000 0.997 313 F HN 0.260 nan 8.300 nan 0.000 0.479 314 F N 1.683 121.707 119.950 0.123 0.000 2.420 314 F HA 0.411 4.938 4.527 0.000 0.000 0.342 314 F C 0.245 176.057 175.800 0.019 0.000 1.113 314 F CA -1.068 56.922 58.000 -0.017 0.000 1.059 314 F CB 0.887 39.888 39.000 0.001 0.000 1.128 314 F HN -0.341 nan 8.300 nan 0.000 0.475 315 K N 4.292 124.800 120.400 0.180 0.000 2.095 315 K HA 0.422 4.742 4.320 0.000 0.000 0.252 315 K C -2.433 174.207 176.600 0.068 0.000 0.977 315 K CA -1.746 54.601 56.287 0.100 0.000 0.900 315 K CB 0.891 33.431 32.500 0.067 0.000 1.060 315 K HN 0.286 nan 8.250 nan 0.000 0.449 316 P HA 0.185 nan 4.420 nan 0.000 0.274 316 P C -0.429 176.872 177.300 0.002 0.000 1.246 316 P CA -0.227 62.870 63.100 -0.006 0.000 0.795 316 P CB 0.968 32.670 31.700 0.003 0.000 1.006 317 G N -1.315 107.457 108.800 -0.047 0.000 2.368 317 G HA2 0.458 4.418 3.960 0.000 0.000 0.293 317 G HA3 0.458 4.418 3.960 0.000 0.000 0.293 317 G C -2.145 172.666 174.900 -0.149 0.000 1.467 317 G CA -0.456 44.620 45.100 -0.040 0.000 0.804 317 G HN 0.375 nan 8.290 nan 0.000 0.535 318 V N -0.120 119.689 119.914 -0.176 0.000 2.638 318 V HA 0.736 4.856 4.120 0.000 0.000 0.306 318 V C -0.465 175.394 176.094 -0.392 0.000 1.052 318 V CA -0.713 61.361 62.300 -0.375 0.000 0.885 318 V CB 1.719 33.253 31.823 -0.483 0.000 0.999 318 V HN 0.765 nan 8.190 nan 0.000 0.424 319 V N 4.801 124.415 119.914 -0.501 0.000 2.588 319 V HA 0.594 4.714 4.120 0.000 0.000 0.304 319 V C -1.061 174.713 176.094 -0.532 0.000 1.042 319 V CA -0.554 61.457 62.300 -0.482 0.000 0.877 319 V CB 1.939 33.355 31.823 -0.679 0.000 0.996 319 V HN 0.683 nan 8.190 nan 0.000 0.425 320 F N 2.752 122.651 119.950 -0.084 0.000 2.469 320 F HA 0.541 5.068 4.527 0.000 0.000 0.332 320 F C 0.854 176.623 175.800 -0.051 0.000 1.103 320 F CA -1.063 56.915 58.000 -0.037 0.000 0.979 320 F CB 1.600 40.602 39.000 0.003 0.000 1.137 320 F HN 0.484 nan 8.300 nan 0.000 0.463 321 K N 2.792 123.277 120.400 0.142 0.000 3.096 321 K HA -0.273 4.047 4.320 0.000 0.000 0.266 321 K C 0.131 176.743 176.600 0.021 0.000 1.043 321 K CA 0.684 57.011 56.287 0.066 0.000 0.758 321 K CB -1.121 31.418 32.500 0.065 0.000 1.260 321 K HN 0.811 nan 8.250 nan 0.000 0.481 322 R N -1.501 119.023 120.500 0.040 0.000 3.758 322 R HA -0.195 4.145 4.340 0.000 0.000 0.299 322 R C -0.287 176.034 176.300 0.035 0.000 1.182 322 R CA 1.254 57.387 56.100 0.055 0.000 0.809 322 R CB -1.294 28.872 30.300 -0.223 0.000 1.249 322 R HN 0.389 nan 8.270 nan 0.000 0.497 323 D N 0.086 120.430 120.400 -0.093 0.000 2.563 323 D HA 0.115 4.755 4.640 0.000 0.000 0.222 323 D C 0.424 176.663 176.300 -0.102 0.000 1.145 323 D CA -0.330 53.657 54.000 -0.022 0.000 1.001 323 D CB -0.199 40.613 40.800 0.019 0.000 1.049 323 D HN 0.136 nan 8.370 nan 0.000 0.515 324 F N 1.078 121.076 119.950 0.080 0.000 2.604 324 F HA 0.052 4.579 4.527 0.000 0.000 0.298 324 F C 2.090 177.928 175.800 0.062 0.000 1.131 324 F CA 0.491 58.530 58.000 0.065 0.000 1.457 324 F CB 0.195 39.229 39.000 0.056 0.000 1.095 324 F HN 0.138 nan 8.300 nan 0.000 0.574 325 K N -0.229 120.277 120.400 0.176 0.000 2.365 325 K HA -0.016 4.304 4.320 0.000 0.000 0.199 325 K C 0.077 176.728 176.600 0.085 0.000 1.045 325 K CA 0.673 57.033 56.287 0.121 0.000 0.962 325 K CB -0.033 32.525 32.500 0.097 0.000 0.759 325 K HN 0.033 nan 8.250 nan 0.000 0.469 326 N N 0.998 119.736 118.700 0.064 0.000 2.813 326 N HA 0.172 4.912 4.740 0.000 0.000 0.282 326 N C -0.998 174.535 175.510 0.039 0.000 1.748 326 N CA -0.186 52.898 53.050 0.057 0.000 0.860 326 N CB 0.692 39.218 38.487 0.064 0.000 1.204 326 N HN 0.037 nan 8.380 nan 0.000 0.490 327 I N 1.317 121.907 120.570 0.034 0.000 2.598 327 I HA -0.020 4.150 4.170 0.000 0.000 0.284 327 I C 0.673 176.817 176.117 0.044 0.000 1.140 327 I CA 0.218 61.523 61.300 0.010 0.000 1.420 327 I CB 0.404 38.426 38.000 0.037 0.000 1.387 327 I HN -0.191 nan 8.210 nan 0.000 0.553 328 K N 8.054 128.483 120.400 0.048 0.000 2.118 328 K HA 0.459 4.779 4.320 0.000 0.000 0.267 328 K C -2.317 174.342 176.600 0.098 0.000 0.991 328 K CA -1.925 54.429 56.287 0.112 0.000 0.916 328 K CB 0.605 33.239 32.500 0.224 0.000 1.041 328 K HN 0.260 nan 8.250 nan 0.000 0.455 329 P HA 0.021 nan 4.420 nan 0.000 0.269 329 P C -0.431 176.980 177.300 0.184 0.000 1.209 329 P CA -0.290 62.883 63.100 0.121 0.000 0.776 329 P CB 0.290 32.047 31.700 0.095 0.000 0.876 330 F N 2.792 122.745 119.950 0.005 0.000 2.444 330 F HA 0.235 4.762 4.527 0.000 0.000 0.360 330 F C -0.033 175.823 175.800 0.093 0.000 1.106 330 F CA -0.774 57.229 58.000 0.005 0.000 1.170 330 F CB -0.066 38.865 39.000 -0.115 0.000 1.113 330 F HN 0.107 nan 8.300 nan 0.000 0.521 331 D N 6.261 126.528 120.400 -0.221 0.000 2.427 331 D HA 0.121 4.761 4.640 0.000 0.000 0.226 331 D C 0.853 176.909 176.300 -0.408 0.000 1.076 331 D CA -0.427 53.408 54.000 -0.275 0.000 0.849 331 D CB 1.079 41.879 40.800 0.001 0.000 1.052 331 D HN 0.752 nan 8.370 nan 0.000 0.515 332 K N 3.022 123.032 120.400 -0.650 0.000 2.360 332 K HA -0.106 4.214 4.320 0.000 0.000 0.201 332 K C 1.068 177.825 176.600 0.261 0.000 1.046 332 K CA 0.826 57.002 56.287 -0.186 0.000 0.945 332 K CB -0.005 32.530 32.500 0.058 0.000 0.750 332 K HN 0.286 nan 8.250 nan 0.000 0.464 333 M N 0.947 120.609 119.600 0.104 0.000 2.595 333 M HA 0.038 4.518 4.480 0.000 0.000 0.248 333 M C 0.971 177.311 176.300 0.066 0.000 1.119 333 M CA 0.961 56.285 55.300 0.041 0.000 1.079 333 M CB -0.071 32.495 32.600 -0.055 0.000 1.472 333 M HN 0.193 nan 8.290 nan 0.000 0.501 334 Q N 0.182 120.003 119.800 0.035 0.000 2.280 334 Q HA 0.335 4.675 4.340 0.000 0.000 0.201 334 Q C 0.233 176.222 176.000 -0.020 0.000 0.890 334 Q CA 0.105 55.826 55.803 -0.136 0.000 0.947 334 Q CB 0.653 29.060 28.738 -0.552 0.000 1.081 334 Q HN 0.475 nan 8.270 nan 0.000 0.502 335 I N 1.763 122.486 120.570 0.254 0.000 2.371 335 I HA 0.107 4.277 4.170 0.000 0.000 0.290 335 I C 0.244 176.400 176.117 0.064 0.000 1.028 335 I CA 0.167 61.658 61.300 0.319 0.000 1.345 335 I CB 0.757 38.998 38.000 0.402 0.000 1.407 335 I HN -0.150 nan 8.210 nan 0.000 0.501 336 E N 5.918 126.137 120.200 0.032 0.000 2.293 336 E HA 0.398 4.748 4.350 0.000 0.000 0.270 336 E C -1.268 175.257 176.600 -0.125 0.000 0.879 336 E CA -0.837 55.509 56.400 -0.089 0.000 0.756 336 E CB 2.432 32.087 29.700 -0.075 0.000 1.208 336 E HN 0.501 nan 8.360 nan 0.000 0.428 337 E N 2.104 122.173 120.200 -0.218 0.000 2.113 337 E HA 0.245 4.595 4.350 0.000 0.000 0.273 337 E C -0.675 175.808 176.600 -0.195 0.000 0.924 337 E CA -0.451 55.834 56.400 -0.191 0.000 0.764 337 E CB 1.217 30.774 29.700 -0.238 0.000 1.104 337 E HN 0.342 nan 8.360 nan 0.000 0.406 338 H N 1.200 120.192 119.070 -0.131 0.000 2.505 338 H HA 0.142 4.698 4.556 0.000 0.000 0.351 338 H C 0.859 176.135 175.328 -0.087 0.000 1.151 338 H CA -0.159 55.836 56.048 -0.089 0.000 1.339 338 H CB 1.867 31.597 29.762 -0.054 0.000 1.483 338 H HN 0.392 nan 8.280 nan 0.000 0.558 339 V N 0.636 120.563 119.914 0.021 0.000 3.398 339 V HA 0.120 4.240 4.120 0.000 0.000 0.298 339 V C 1.936 178.015 176.094 -0.025 0.000 1.496 339 V CA -0.191 62.125 62.300 0.027 0.000 1.044 339 V CB 0.388 32.239 31.823 0.047 0.000 0.880 339 V HN 0.445 nan 8.190 nan 0.000 0.443 340 R N 1.266 121.731 120.500 -0.058 0.000 2.117 340 R HA -0.115 4.225 4.340 0.000 0.000 0.243 340 R C 1.735 177.792 176.300 -0.406 0.000 1.143 340 R CA 2.216 58.186 56.100 -0.218 0.000 0.968 340 R CB -0.688 29.453 30.300 -0.264 0.000 0.863 340 R HN 0.711 nan 8.270 nan 0.000 0.444 341 H N -0.944 118.047 119.070 -0.132 0.000 2.487 341 H HA 0.399 4.955 4.556 0.000 0.000 0.290 341 H C -0.316 174.674 175.328 -0.564 0.000 1.081 341 H CA -0.035 55.848 56.048 -0.275 0.000 1.116 341 H CB 0.501 30.130 29.762 -0.222 0.000 1.560 341 H HN 0.065 nan 8.280 nan 0.000 0.548 342 S N -0.341 115.148 115.700 -0.352 0.000 2.648 342 S HA 0.172 4.642 4.470 0.000 0.000 0.305 342 S C -0.132 174.201 174.600 -0.446 0.000 1.094 342 S CA -0.786 57.151 58.200 -0.437 0.000 0.983 342 S CB 1.618 64.808 63.200 -0.017 0.000 1.101 342 S HN 0.315 nan 8.310 nan 0.000 0.514 343 W N 2.720 123.650 121.300 -0.616 0.000 1.564 343 W HA 0.364 5.024 4.660 0.000 0.000 0.448 343 W C -0.954 175.008 176.519 -0.929 0.000 0.601 343 W CA -0.649 56.178 57.345 -0.864 0.000 2.326 343 W CB -1.411 27.158 29.460 -1.485 0.000 1.355 343 W HN 0.552 nan 8.180 nan 0.000 0.382 344 Y N -0.799 119.503 120.300 0.004 0.000 2.634 344 Y HA 0.256 4.806 4.550 0.000 0.000 0.340 344 Y C 0.644 176.542 175.900 -0.002 0.000 1.058 344 Y CA -1.495 56.618 58.100 0.022 0.000 1.081 344 Y CB 1.138 39.608 38.460 0.016 0.000 1.295 344 Y HN -0.106 nan 8.280 nan 0.000 0.487 345 E N 1.064 121.370 120.200 0.178 0.000 2.384 345 E HA 0.363 4.713 4.350 0.000 0.000 0.266 345 E C 0.471 177.104 176.600 0.054 0.000 1.012 345 E CA 0.804 57.255 56.400 0.084 0.000 0.901 345 E CB 0.507 30.251 29.700 0.073 0.000 0.967 345 E HN 0.860 nan 8.360 nan 0.000 0.435 346 G N 2.301 111.112 108.800 0.019 0.000 2.598 346 G HA2 -0.178 3.783 3.960 0.000 0.000 0.244 346 G HA3 -0.178 3.783 3.960 0.000 0.000 0.244 346 G C 0.232 175.120 174.900 -0.020 0.000 1.302 346 G CA -0.107 44.991 45.100 -0.004 0.000 0.903 346 G HN 0.781 nan 8.290 nan 0.000 0.575 347 A N -0.819 121.982 122.820 -0.032 0.000 2.671 347 A HA 0.623 4.943 4.320 0.000 0.000 0.265 347 A C 0.420 177.971 177.584 -0.054 0.000 1.148 347 A CA 1.270 53.279 52.037 -0.046 0.000 0.977 347 A CB 0.307 19.276 19.000 -0.051 0.000 1.242 347 A HN 0.829 nan 8.150 nan 0.000 0.591 348 E N 1.316 121.476 120.200 -0.067 0.000 2.194 348 E HA 0.571 4.921 4.350 0.000 0.000 0.284 348 E C 0.220 176.716 176.600 -0.173 0.000 1.035 348 E CA -0.333 56.008 56.400 -0.099 0.000 0.836 348 E CB 0.988 30.645 29.700 -0.073 0.000 1.070 348 E HN 0.434 nan 8.360 nan 0.000 0.401 349 A N 5.176 127.816 122.820 -0.300 0.000 2.407 349 A HA 0.392 4.712 4.320 0.000 0.000 0.248 349 A C -0.281 177.141 177.584 -0.270 0.000 1.082 349 A CA -0.286 51.471 52.037 -0.466 0.000 0.785 349 A CB 0.532 18.922 19.000 -1.017 0.000 1.020 349 A HN 0.601 nan 8.150 nan 0.000 0.489 350 R N 0.883 121.241 120.500 -0.238 0.000 2.621 350 R HA 0.260 4.600 4.340 0.000 0.000 0.284 350 R C -0.627 175.567 176.300 -0.176 0.000 0.998 350 R CA -0.664 55.342 56.100 -0.158 0.000 0.895 350 R CB 1.250 31.468 30.300 -0.136 0.000 1.195 350 R HN 0.974 nan 8.270 nan 0.000 0.450 351 H N 4.707 123.661 119.070 -0.194 0.000 2.815 351 H HA 0.060 4.616 4.556 0.000 0.000 0.350 351 H C -1.401 173.711 175.328 -0.360 0.000 1.080 351 H CA -0.944 54.943 56.048 -0.269 0.000 1.433 351 H CB 1.410 31.062 29.762 -0.183 0.000 1.432 351 H HN 0.178 nan 8.280 nan 0.000 0.592 352 P HA -0.136 nan 4.420 nan 0.000 0.222 352 P C 1.274 178.305 177.300 -0.448 0.000 1.147 352 P CA 0.911 63.453 63.100 -0.930 0.000 0.790 352 P CB -0.021 30.662 31.700 -1.696 0.000 0.780 353 W N 0.862 122.009 121.300 -0.255 0.000 2.699 353 W HA 0.049 4.709 4.660 0.000 0.000 0.249 353 W C 1.042 177.566 176.519 0.009 0.000 1.280 353 W CA 0.855 58.222 57.345 0.036 0.000 1.345 353 W CB -0.560 29.019 29.460 0.198 0.000 1.128 353 W HN 0.107 nan 8.180 nan 0.000 0.642 354 K N -0.929 119.576 120.400 0.175 0.000 2.646 354 K HA 0.277 4.597 4.320 0.000 0.000 0.206 354 K C 0.859 177.457 176.600 -0.004 0.000 1.069 354 K CA -0.225 56.108 56.287 0.076 0.000 1.067 354 K CB 0.716 33.257 32.500 0.070 0.000 0.807 354 K HN -0.166 nan 8.250 nan 0.000 0.482 355 G N 0.960 109.735 108.800 -0.042 0.000 2.606 355 G HA2 0.154 4.114 3.960 0.000 0.000 0.252 355 G HA3 0.154 4.114 3.960 0.000 0.000 0.252 355 G C -0.555 174.316 174.900 -0.049 0.000 1.206 355 G CA -0.124 44.921 45.100 -0.092 0.000 0.861 355 G HN 0.164 nan 8.290 nan 0.000 0.561 356 Q N -0.782 118.973 119.800 -0.074 0.000 2.315 356 Q HA 0.463 4.803 4.340 0.000 0.000 0.273 356 Q C -1.363 174.590 176.000 -0.079 0.000 1.053 356 Q CA -0.586 55.190 55.803 -0.045 0.000 0.817 356 Q CB 2.655 31.371 28.738 -0.037 0.000 1.326 356 Q HN 0.437 nan 8.270 nan 0.000 0.423 357 T N 2.705 117.257 114.554 -0.004 0.000 3.068 357 T HA 0.271 4.621 4.350 0.000 0.000 0.364 357 T C -0.789 174.019 174.700 0.181 0.000 1.161 357 T CA -0.469 61.648 62.100 0.027 0.000 1.155 357 T CB 0.389 69.327 68.868 0.117 0.000 1.060 357 T HN 0.411 nan 8.240 nan 0.000 0.513 358 Q N 3.088 123.035 119.800 0.244 0.000 2.700 358 Q HA 0.271 4.611 4.340 0.000 0.000 0.249 358 Q C -2.674 173.512 176.000 0.310 0.000 1.033 358 Q CA -2.137 53.805 55.803 0.232 0.000 0.804 358 Q CB 1.488 30.312 28.738 0.143 0.000 1.164 358 Q HN 0.311 nan 8.270 nan 0.000 0.500 359 P HA -0.013 nan 4.420 nan 0.000 0.268 359 P C -0.725 176.608 177.300 0.055 0.000 1.205 359 P CA 0.066 63.185 63.100 0.032 0.000 0.771 359 P CB 0.600 32.160 31.700 -0.233 0.000 0.858 360 K N 2.986 123.392 120.400 0.010 0.000 2.762 360 K HA 0.202 4.522 4.320 0.000 0.000 0.272 360 K C -1.691 174.880 176.600 -0.049 0.000 1.093 360 K CA -0.633 55.663 56.287 0.014 0.000 1.048 360 K CB 0.484 32.995 32.500 0.019 0.000 1.304 360 K HN 0.250 nan 8.250 nan 0.000 0.511 361 Y N 2.546 122.706 120.300 -0.235 0.000 2.319 361 Y HA 0.148 4.698 4.550 0.000 0.000 0.328 361 Y C 0.944 176.600 175.900 -0.406 0.000 1.133 361 Y CA 0.777 58.529 58.100 -0.579 0.000 1.265 361 Y CB 1.446 39.605 38.460 -0.503 0.000 1.218 361 Y HN 0.635 nan 8.280 nan 0.000 0.508 362 T N 0.410 114.389 114.554 -0.958 0.000 3.111 362 T HA 0.257 4.607 4.350 0.000 0.000 0.284 362 T C -0.288 174.012 174.700 -0.667 0.000 0.983 362 T CA 0.142 61.932 62.100 -0.515 0.000 0.900 362 T CB -0.222 68.568 68.868 -0.130 0.000 1.132 362 T HN 0.714 nan 8.240 nan 0.000 0.531 363 D N 0.379 119.843 120.400 -1.561 0.000 10.640 363 D HA -0.167 4.473 4.640 0.000 0.000 0.360 363 D C -0.528 175.651 176.300 -0.202 0.000 3.073 363 D CA 0.177 53.606 54.000 -0.952 0.000 2.519 363 D CB -0.522 40.044 40.800 -0.389 0.000 1.179 363 D HN 0.423 nan 8.370 nan 0.000 0.978 364 L N 3.143 124.369 121.223 0.005 0.000 2.530 364 L HA 0.057 4.397 4.340 0.000 0.000 0.273 364 L C 1.222 178.097 176.870 0.009 0.000 1.141 364 L CA 0.156 55.043 54.840 0.078 0.000 0.905 364 L CB -0.099 42.005 42.059 0.075 0.000 1.202 364 L HN 0.478 nan 8.230 nan 0.000 0.473 365 H N 0.165 119.284 119.070 0.082 0.000 3.237 365 H HA -0.132 4.424 4.556 0.000 0.000 0.231 365 H C 0.940 176.274 175.328 0.010 0.000 1.148 365 H CA 0.634 56.681 56.048 -0.002 0.000 1.155 365 H CB -1.365 28.326 29.762 -0.119 0.000 1.210 365 H HN 0.802 nan 8.280 nan 0.000 0.317 366 G N 1.120 109.968 108.800 0.080 0.000 2.343 366 G HA2 0.252 4.212 3.960 0.000 0.000 0.254 366 G HA3 0.252 4.212 3.960 0.000 0.000 0.254 366 G C 0.372 175.291 174.900 0.031 0.000 1.277 366 G CA 0.789 45.904 45.100 0.026 0.000 0.909 366 G HN 0.401 nan 8.290 nan 0.000 0.502 367 D N 1.475 121.889 120.400 0.024 0.000 2.811 367 D HA -0.221 4.419 4.640 0.000 0.000 0.231 367 D C 0.798 177.120 176.300 0.037 0.000 1.157 367 D CA 1.607 55.616 54.000 0.015 0.000 0.716 367 D CB -0.874 39.920 40.800 -0.012 0.000 1.077 367 D HN 0.701 nan 8.370 nan 0.000 0.428 368 D N -1.496 118.965 120.400 0.102 0.000 2.945 368 D HA -0.240 4.400 4.640 0.000 0.000 0.225 368 D C -0.526 175.920 176.300 0.243 0.000 1.158 368 D CA 1.103 55.237 54.000 0.222 0.000 0.805 368 D CB -0.718 40.231 40.800 0.249 0.000 1.098 368 D HN 0.679 nan 8.370 nan 0.000 0.426 369 R N -0.174 120.348 120.500 0.037 0.000 2.589 369 R HA 0.560 4.900 4.340 0.000 0.000 0.293 369 R C 0.452 176.448 176.300 -0.506 0.000 0.963 369 R CA -0.652 55.278 56.100 -0.283 0.000 0.905 369 R CB 1.084 31.168 30.300 -0.359 0.000 1.144 369 R HN 0.272 nan 8.270 nan 0.000 0.459 370 Y N -2.007 117.672 120.300 -1.034 0.000 2.957 370 Y HA 0.474 5.024 4.550 0.000 0.000 0.274 370 Y C -0.542 174.497 175.900 -1.435 0.000 1.065 370 Y CA -0.684 56.748 58.100 -1.112 0.000 1.273 370 Y CB 0.677 38.672 38.460 -0.775 0.000 1.358 370 Y HN 0.398 nan 8.280 nan 0.000 0.585 371 S N -0.668 113.808 115.700 -2.040 0.000 2.547 371 S HA 0.277 4.747 4.470 0.000 0.000 0.270 371 S C -1.060 173.059 174.600 -0.801 0.000 1.150 371 S CA -0.659 56.869 58.200 -1.119 0.000 0.850 371 S CB 0.330 63.183 63.200 -0.578 0.000 1.118 371 S HN 0.401 nan 8.310 nan 0.000 0.461 372 W N 2.502 123.830 121.300 0.047 0.000 2.905 372 W HA 0.286 4.946 4.660 0.000 0.000 0.251 372 W C 1.003 177.653 176.519 0.219 0.000 1.305 372 W CA -0.342 57.122 57.345 0.198 0.000 1.465 372 W CB 0.167 29.841 29.460 0.357 0.000 1.122 372 W HN 0.289 nan 8.180 nan 0.000 0.659 373 M N 1.465 121.225 119.600 0.266 0.000 2.233 373 M HA 0.112 4.592 4.480 0.000 0.000 0.350 373 M C 0.630 177.014 176.300 0.141 0.000 1.176 373 M CA 0.286 55.698 55.300 0.186 0.000 1.150 373 M CB 0.790 33.442 32.600 0.086 0.000 1.530 373 M HN -0.195 nan 8.290 nan 0.000 0.459 374 K N 1.363 121.825 120.400 0.103 0.000 2.187 374 K HA 0.417 4.737 4.320 0.000 0.000 0.247 374 K C -0.206 176.362 176.600 -0.053 0.000 1.019 374 K CA -0.357 55.925 56.287 -0.007 0.000 0.893 374 K CB 0.459 32.888 32.500 -0.118 0.000 1.025 374 K HN 0.746 nan 8.250 nan 0.000 0.500 375 A N 2.726 125.513 122.820 -0.054 0.000 2.508 375 A HA 0.362 4.682 4.320 0.000 0.000 0.336 375 A C -2.499 175.025 177.584 -0.101 0.000 1.360 375 A CA -1.755 50.242 52.037 -0.066 0.000 0.841 375 A CB 0.249 19.231 19.000 -0.030 0.000 1.136 375 A HN 0.306 nan 8.150 nan 0.000 0.489 376 P HA 0.373 nan 4.420 nan 0.000 0.276 376 P C -0.524 176.591 177.300 -0.307 0.000 1.230 376 P CA -0.075 62.672 63.100 -0.589 0.000 0.776 376 P CB 0.744 31.519 31.700 -1.541 0.000 0.888 377 R N 2.242 122.727 120.500 -0.024 0.000 2.744 377 R HA 0.416 4.756 4.340 0.000 0.000 0.279 377 R C -1.367 175.241 176.300 0.513 0.000 0.977 377 R CA -0.810 55.461 56.100 0.286 0.000 0.906 377 R CB 1.763 32.164 30.300 0.170 0.000 1.197 377 R HN 0.518 nan 8.270 nan 0.000 0.463 378 Y N 2.646 123.269 120.300 0.538 0.000 2.328 378 Y HA 0.215 4.765 4.550 0.000 0.000 0.333 378 Y C 0.675 176.816 175.900 0.402 0.000 0.958 378 Y CA -0.265 58.140 58.100 0.509 0.000 1.167 378 Y CB 0.933 39.667 38.460 0.457 0.000 1.151 378 Y HN 0.752 nan 8.280 nan 0.000 0.470 379 M N 5.456 124.980 119.600 -0.126 0.000 2.333 379 M HA -0.318 4.162 4.480 0.000 0.000 0.199 379 M C 1.101 177.453 176.300 0.086 0.000 0.376 379 M CA 1.470 56.751 55.300 -0.032 0.000 0.440 379 M CB -1.708 30.893 32.600 0.001 0.000 1.506 379 M HN 1.182 nan 8.290 nan 0.000 0.889 380 G N -1.187 107.697 108.800 0.139 0.000 2.179 380 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 380 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 380 G C -0.131 174.849 174.900 0.134 0.000 0.977 380 G CA 0.584 45.759 45.100 0.125 0.000 0.641 380 G HN 0.543 nan 8.290 nan 0.000 0.533 381 E N 1.010 121.359 120.200 0.249 0.000 2.202 381 E HA 0.477 4.827 4.350 0.000 0.000 0.272 381 E C -2.549 174.215 176.600 0.274 0.000 0.951 381 E CA -2.035 54.516 56.400 0.253 0.000 0.813 381 E CB 2.135 32.073 29.700 0.396 0.000 1.151 381 E HN 0.190 nan 8.360 nan 0.000 0.398 382 P HA 0.234 nan 4.420 nan 0.000 0.281 382 P C -0.627 176.754 177.300 0.135 0.000 1.252 382 P CA -0.282 62.916 63.100 0.164 0.000 0.778 382 P CB 0.596 32.335 31.700 0.064 0.000 0.895 383 M N 1.633 121.349 119.600 0.194 0.000 2.190 383 M HA 0.348 4.828 4.480 0.000 0.000 0.312 383 M C 0.244 176.518 176.300 -0.044 0.000 0.990 383 M CA -0.947 54.345 55.300 -0.013 0.000 0.927 383 M CB 1.535 34.050 32.600 -0.142 0.000 1.571 383 M HN 0.407 nan 8.290 nan 0.000 0.427 384 E N 1.437 121.526 120.200 -0.184 0.000 2.360 384 E HA 0.302 4.652 4.350 0.000 0.000 0.269 384 E C -0.828 175.727 176.600 -0.075 0.000 1.022 384 E CA 0.264 56.622 56.400 -0.069 0.000 0.887 384 E CB 1.005 30.672 29.700 -0.055 0.000 0.990 384 E HN 0.677 nan 8.360 nan 0.000 0.426 385 T N 2.070 116.607 114.554 -0.028 0.000 2.907 385 T HA 0.748 5.098 4.350 0.000 0.000 0.290 385 T C -0.293 174.410 174.700 0.005 0.000 1.066 385 T CA 0.434 62.464 62.100 -0.116 0.000 1.012 385 T CB 1.335 69.984 68.868 -0.365 0.000 1.184 385 T HN 0.911 nan 8.240 nan 0.000 0.522 386 G N 2.159 110.933 108.800 -0.043 0.000 2.396 386 G HA2 -0.049 3.911 3.960 0.000 0.000 0.254 386 G HA3 -0.049 3.911 3.960 0.000 0.000 0.254 386 G C -2.424 172.477 174.900 0.003 0.000 1.248 386 G CA -0.148 44.957 45.100 0.008 0.000 1.033 386 G HN 0.583 nan 8.290 nan 0.000 0.502 387 P HA -0.021 nan 4.420 nan 0.000 0.215 387 P C 2.274 179.521 177.300 -0.087 0.000 1.153 387 P CA 1.473 64.558 63.100 -0.026 0.000 0.853 387 P CB 0.061 31.727 31.700 -0.057 0.000 0.788 388 L N -0.414 120.776 121.223 -0.056 0.000 2.046 388 L HA -0.095 4.245 4.340 0.000 0.000 0.208 388 L C 2.230 179.035 176.870 -0.109 0.000 1.077 388 L CA 2.020 56.803 54.840 -0.094 0.000 0.747 388 L CB -1.565 40.488 42.059 -0.009 0.000 0.896 388 L HN -0.122 nan 8.230 nan 0.000 0.432 389 A N -1.102 121.745 122.820 0.045 0.000 1.877 389 A HA -0.295 4.025 4.320 0.000 0.000 0.216 389 A C 2.309 179.840 177.584 -0.089 0.000 1.186 389 A CA 1.822 53.895 52.037 0.061 0.000 0.620 389 A CB -0.733 18.345 19.000 0.129 0.000 0.822 389 A HN 0.630 nan 8.150 nan 0.000 0.443 390 Q N -0.369 119.342 119.800 -0.149 0.000 2.061 390 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 390 Q C 1.961 177.775 176.000 -0.310 0.000 0.984 390 Q CA 2.261 57.908 55.803 -0.260 0.000 0.846 390 Q CB -0.256 28.276 28.738 -0.344 0.000 0.902 390 Q HN 0.380 nan 8.270 nan 0.000 0.421 391 V N 0.743 120.484 119.914 -0.288 0.000 2.270 391 V HA -0.264 3.856 4.120 0.000 0.000 0.245 391 V C 2.318 178.274 176.094 -0.230 0.000 1.043 391 V CA 1.650 63.791 62.300 -0.265 0.000 1.014 391 V CB -0.492 31.188 31.823 -0.237 0.000 0.645 391 V HN 0.413 nan 8.190 nan 0.000 0.447 392 L N -0.768 120.261 121.223 -0.323 0.000 2.056 392 L HA -0.158 4.182 4.340 0.000 0.000 0.207 392 L C 2.346 179.083 176.870 -0.221 0.000 1.078 392 L CA 1.583 56.132 54.840 -0.485 0.000 0.749 392 L CB -0.476 41.046 42.059 -0.894 0.000 0.901 392 L HN 0.279 nan 8.230 nan 0.000 0.433 393 I N -0.105 120.455 120.570 -0.017 0.000 2.202 393 I HA -0.254 3.916 4.170 0.000 0.000 0.242 393 I C 2.837 178.993 176.117 0.066 0.000 1.091 393 I CA 1.110 62.484 61.300 0.123 0.000 1.368 393 I CB -0.454 37.592 38.000 0.076 0.000 1.058 393 I HN 0.181 nan 8.210 nan 0.000 0.410 394 A N 0.249 123.066 122.820 -0.006 0.000 1.908 394 A HA -0.300 4.020 4.320 0.000 0.000 0.218 394 A C 2.304 179.923 177.584 0.059 0.000 1.181 394 A CA 1.613 53.664 52.037 0.024 0.000 0.627 394 A CB -1.192 17.766 19.000 -0.070 0.000 0.818 394 A HN 0.514 nan 8.150 nan 0.000 0.445 395 Y N 1.179 121.420 120.300 -0.099 0.000 2.081 395 Y HA -0.277 4.273 4.550 0.000 0.000 0.280 395 Y C 2.747 178.616 175.900 -0.051 0.000 1.163 395 Y CA 2.250 60.292 58.100 -0.096 0.000 1.135 395 Y CB -0.193 38.152 38.460 -0.192 0.000 0.970 395 Y HN 0.318 nan 8.280 nan 0.000 0.498 396 S N -0.268 115.556 115.700 0.207 0.000 2.481 396 S HA -0.166 4.304 4.470 0.000 0.000 0.231 396 S C 1.458 176.129 174.600 0.118 0.000 0.996 396 S CA 1.124 59.442 58.200 0.197 0.000 0.942 396 S CB -0.218 63.153 63.200 0.284 0.000 0.768 396 S HN 0.569 nan 8.310 nan 0.000 0.520 397 Q N 0.014 119.863 119.800 0.082 0.000 2.403 397 Q HA 0.241 4.581 4.340 0.000 0.000 0.203 397 Q C 1.202 177.201 176.000 -0.001 0.000 0.932 397 Q CA 0.292 56.123 55.803 0.047 0.000 0.945 397 Q CB 0.278 29.048 28.738 0.054 0.000 1.045 397 Q HN 0.572 nan 8.270 nan 0.000 0.511 398 G N 1.143 109.918 108.800 -0.042 0.000 2.132 398 G HA2 -0.323 3.637 3.960 0.000 0.000 0.234 398 G HA3 -0.323 3.637 3.960 0.000 0.000 0.234 398 G C -0.292 174.542 174.900 -0.111 0.000 0.989 398 G CA 0.056 45.093 45.100 -0.105 0.000 0.676 398 G HN 0.601 nan 8.290 nan 0.000 0.522 399 H N 1.357 120.319 119.070 -0.179 0.000 3.091 399 H HA 0.320 4.876 4.556 0.000 0.000 0.289 399 H C -0.476 174.731 175.328 -0.202 0.000 0.995 399 H CA -0.252 55.677 56.048 -0.199 0.000 1.461 399 H CB 1.108 30.760 29.762 -0.184 0.000 1.510 399 H HN 0.133 nan 8.280 nan 0.000 0.546 400 P HA -0.138 nan 4.420 nan 0.000 0.220 400 P C 1.016 178.332 177.300 0.025 0.000 1.152 400 P CA 0.981 64.031 63.100 -0.083 0.000 0.812 400 P CB 0.411 32.048 31.700 -0.106 0.000 0.792 401 K N -0.211 120.287 120.400 0.163 0.000 2.062 401 K HA 0.004 4.324 4.320 0.000 0.000 0.205 401 K C 2.139 178.828 176.600 0.148 0.000 1.051 401 K CA 0.801 57.206 56.287 0.196 0.000 0.941 401 K CB -1.339 31.354 32.500 0.321 0.000 0.719 401 K HN 0.061 nan 8.250 nan 0.000 0.440 402 V N 2.180 122.175 119.914 0.135 0.000 2.295 402 V HA -0.247 3.873 4.120 0.000 0.000 0.246 402 V C 2.620 178.727 176.094 0.021 0.000 1.049 402 V CA 1.914 64.220 62.300 0.010 0.000 1.024 402 V CB -0.440 31.306 31.823 -0.128 0.000 0.648 402 V HN 0.383 nan 8.190 nan 0.000 0.447 403 K N 0.386 120.727 120.400 -0.099 0.000 2.057 403 K HA -0.176 4.144 4.320 0.000 0.000 0.207 403 K C 2.179 178.755 176.600 -0.041 0.000 1.049 403 K CA 1.612 57.736 56.287 -0.271 0.000 0.931 403 K CB -0.359 31.821 32.500 -0.534 0.000 0.714 403 K HN 0.399 nan 8.250 nan 0.000 0.440 404 A N 0.729 123.536 122.820 -0.023 0.000 1.877 404 A HA -0.114 4.206 4.320 0.000 0.000 0.216 404 A C 2.256 179.851 177.584 0.018 0.000 1.186 404 A CA 1.814 53.853 52.037 0.002 0.000 0.620 404 A CB -0.691 18.314 19.000 0.009 0.000 0.822 404 A HN 0.186 nan 8.150 nan 0.000 0.443 405 V N -0.417 119.512 119.914 0.025 0.000 2.358 405 V HA -0.193 3.927 4.120 0.000 0.000 0.246 405 V C 2.721 178.814 176.094 -0.001 0.000 1.047 405 V CA 2.373 64.677 62.300 0.007 0.000 1.035 405 V CB -1.288 30.541 31.823 0.010 0.000 0.658 405 V HN 0.597 nan 8.190 nan 0.000 0.452 406 T N -0.223 114.352 114.554 0.036 0.000 2.746 406 T HA -0.193 4.157 4.350 0.000 0.000 0.267 406 T C 1.656 176.363 174.700 0.012 0.000 1.039 406 T CA 1.732 63.842 62.100 0.016 0.000 1.142 406 T CB -0.384 68.542 68.868 0.097 0.000 0.866 406 T HN 0.455 nan 8.240 nan 0.000 0.444 407 D N 1.268 121.720 120.400 0.086 0.000 2.144 407 D HA 0.007 4.647 4.640 0.000 0.000 0.199 407 D C 2.314 178.613 176.300 -0.002 0.000 0.984 407 D CA 1.138 55.168 54.000 0.050 0.000 0.834 407 D CB -0.428 40.417 40.800 0.075 0.000 0.955 407 D HN 0.412 nan 8.370 nan 0.000 0.465 408 A N 0.504 123.319 122.820 -0.008 0.000 1.930 408 A HA -0.102 4.218 4.320 0.000 0.000 0.217 408 A C 2.512 180.069 177.584 -0.046 0.000 1.175 408 A CA 0.936 52.957 52.037 -0.026 0.000 0.627 408 A CB -0.644 18.340 19.000 -0.026 0.000 0.815 408 A HN 0.132 nan 8.150 nan 0.000 0.443 409 V N 0.227 120.104 119.914 -0.061 0.000 2.295 409 V HA -0.268 3.852 4.120 0.000 0.000 0.246 409 V C 2.581 178.626 176.094 -0.082 0.000 1.049 409 V CA 2.025 64.274 62.300 -0.085 0.000 1.024 409 V CB -0.763 30.994 31.823 -0.110 0.000 0.648 409 V HN 0.581 nan 8.190 nan 0.000 0.447 410 L N -0.010 121.163 121.223 -0.082 0.000 2.042 410 L HA -0.184 4.156 4.340 0.000 0.000 0.210 410 L C 2.708 179.542 176.870 -0.061 0.000 1.076 410 L CA 1.679 56.468 54.840 -0.084 0.000 0.749 410 L CB -0.809 41.190 42.059 -0.099 0.000 0.893 410 L HN 0.371 nan 8.230 nan 0.000 0.432 411 A N 0.159 122.951 122.820 -0.047 0.000 1.898 411 A HA -0.243 4.077 4.320 0.000 0.000 0.216 411 A C 2.318 179.879 177.584 -0.038 0.000 1.181 411 A CA 1.940 53.955 52.037 -0.036 0.000 0.620 411 A CB -0.385 18.599 19.000 -0.027 0.000 0.819 411 A HN 0.270 nan 8.150 nan 0.000 0.442 412 K N -0.023 120.351 120.400 -0.043 0.000 2.097 412 K HA 0.024 4.344 4.320 0.000 0.000 0.206 412 K C 1.565 178.141 176.600 -0.041 0.000 1.049 412 K CA 1.322 57.584 56.287 -0.042 0.000 0.933 412 K CB -0.408 32.063 32.500 -0.049 0.000 0.717 412 K HN 0.449 nan 8.250 nan 0.000 0.442 413 L N -0.598 120.596 121.223 -0.048 0.000 2.492 413 L HA 0.149 4.489 4.340 0.000 0.000 0.223 413 L C 0.961 177.808 176.870 -0.037 0.000 1.132 413 L CA 0.451 55.265 54.840 -0.043 0.000 0.850 413 L CB -0.306 41.721 42.059 -0.053 0.000 0.966 413 L HN 0.574 nan 8.230 nan 0.000 0.454 414 G N 1.267 110.044 108.800 -0.038 0.000 2.246 414 G HA2 -0.221 3.739 3.960 0.000 0.000 0.273 414 G HA3 -0.221 3.739 3.960 0.000 0.000 0.273 414 G C 0.031 174.909 174.900 -0.037 0.000 1.055 414 G CA 0.354 45.433 45.100 -0.034 0.000 0.851 414 G HN 0.294 nan 8.290 nan 0.000 0.500 415 V N -2.716 117.170 119.914 -0.047 0.000 3.001 415 V HA 1.039 5.159 4.120 0.000 0.000 0.314 415 V C 0.826 176.882 176.094 -0.063 0.000 1.099 415 V CA -0.241 62.028 62.300 -0.052 0.000 0.989 415 V CB 1.819 33.607 31.823 -0.058 0.000 1.040 415 V HN 1.201 nan 8.190 nan 0.000 0.434 416 G N 0.609 109.374 108.800 -0.060 0.000 2.535 416 G HA2 0.600 4.560 3.960 0.000 0.000 0.303 416 G HA3 0.600 4.560 3.960 0.000 0.000 0.303 416 G C -1.518 173.318 174.900 -0.106 0.000 1.237 416 G CA -1.050 44.008 45.100 -0.069 0.000 0.986 416 G HN 0.651 nan 8.290 nan 0.000 0.494 417 P HA -0.065 nan 4.420 nan 0.000 0.220 417 P C 1.019 178.198 177.300 -0.201 0.000 1.148 417 P CA 1.040 64.004 63.100 -0.227 0.000 0.803 417 P CB 0.250 31.810 31.700 -0.233 0.000 0.782 418 E N 0.745 120.919 120.200 -0.043 0.000 2.209 418 E HA -0.131 4.219 4.350 0.000 0.000 0.196 418 E C 2.158 178.787 176.600 0.049 0.000 0.993 418 E CA 1.413 57.880 56.400 0.112 0.000 0.819 418 E CB -1.262 28.499 29.700 0.102 0.000 0.745 418 E HN 0.257 nan 8.360 nan 0.000 0.477 419 A N 0.580 123.362 122.820 -0.062 0.000 2.070 419 A HA -0.100 4.220 4.320 0.000 0.000 0.220 419 A C 1.999 179.500 177.584 -0.139 0.000 1.159 419 A CA 0.828 52.819 52.037 -0.076 0.000 0.656 419 A CB -0.537 18.413 19.000 -0.084 0.000 0.800 419 A HN 0.241 nan 8.150 nan 0.000 0.453 420 L N -1.816 119.224 121.223 -0.305 0.000 2.275 420 L HA -0.033 4.307 4.340 0.000 0.000 0.215 420 L C 0.263 176.893 176.870 -0.400 0.000 1.119 420 L CA 0.227 54.805 54.840 -0.436 0.000 0.790 420 L CB -0.309 41.351 42.059 -0.666 0.000 0.919 420 L HN 0.324 nan 8.230 nan 0.000 0.443 421 F N 0.853 120.774 119.950 -0.048 0.000 2.640 421 F HA 0.195 4.722 4.527 0.000 0.000 0.354 421 F C 0.753 176.585 175.800 0.053 0.000 1.213 421 F CA -0.348 57.677 58.000 0.042 0.000 1.314 421 F CB -0.574 38.473 39.000 0.079 0.000 1.679 421 F HN -0.007 nan 8.300 nan 0.000 0.622 422 S N -2.261 113.528 115.700 0.148 0.000 2.615 422 S HA 0.243 4.713 4.470 0.000 0.000 0.268 422 S C 0.494 175.150 174.600 0.093 0.000 1.146 422 S CA -0.708 57.567 58.200 0.125 0.000 0.818 422 S CB 1.110 64.358 63.200 0.079 0.000 1.111 422 S HN -0.009 nan 8.310 nan 0.000 0.465 423 T N 1.251 115.906 114.554 0.169 0.000 2.720 423 T HA -0.080 4.270 4.350 0.000 0.000 0.268 423 T C 1.764 176.538 174.700 0.125 0.000 1.037 423 T CA 1.813 64.015 62.100 0.170 0.000 1.144 423 T CB -0.655 68.467 68.868 0.423 0.000 0.864 423 T HN 0.531 nan 8.240 nan 0.000 0.444 424 L N 0.552 121.870 121.223 0.159 0.000 2.017 424 L HA -0.026 4.314 4.340 0.000 0.000 0.208 424 L C 2.655 179.515 176.870 -0.017 0.000 1.073 424 L CA 1.792 56.669 54.840 0.061 0.000 0.745 424 L CB -0.884 41.235 42.059 0.100 0.000 0.894 424 L HN 0.356 nan 8.230 nan 0.000 0.432 425 G N -0.543 108.234 108.800 -0.040 0.000 2.446 425 G HA2 -0.345 3.615 3.960 0.000 0.000 0.217 425 G HA3 -0.345 3.615 3.960 0.000 0.000 0.217 425 G C 1.698 176.526 174.900 -0.121 0.000 1.168 425 G CA 0.944 45.977 45.100 -0.113 0.000 0.771 425 G HN 0.411 nan 8.290 nan 0.000 0.551 426 R N -0.274 120.174 120.500 -0.087 0.000 2.081 426 R HA -0.062 4.278 4.340 0.000 0.000 0.235 426 R C 2.664 178.924 176.300 -0.067 0.000 1.131 426 R CA 1.845 57.883 56.100 -0.102 0.000 0.960 426 R CB -0.459 29.739 30.300 -0.169 0.000 0.856 426 R HN 0.342 nan 8.270 nan 0.000 0.436 427 T N 0.474 115.026 114.554 -0.004 0.000 2.777 427 T HA -0.078 4.272 4.350 0.000 0.000 0.266 427 T C 1.812 176.501 174.700 -0.019 0.000 1.040 427 T CA 1.255 63.402 62.100 0.079 0.000 1.141 427 T CB -0.253 68.686 68.868 0.118 0.000 0.868 427 T HN 0.435 nan 8.240 nan 0.000 0.444 428 A N 1.526 124.294 122.820 -0.087 0.000 1.902 428 A HA 0.169 4.489 4.320 0.000 0.000 0.217 428 A C 2.655 180.144 177.584 -0.159 0.000 1.181 428 A CA 1.767 53.716 52.037 -0.146 0.000 0.623 428 A CB -1.097 17.813 19.000 -0.150 0.000 0.818 428 A HN 0.502 nan 8.150 nan 0.000 0.443 429 A N -0.254 122.476 122.820 -0.150 0.000 1.933 429 A HA -0.182 4.138 4.320 0.000 0.000 0.218 429 A C 2.224 179.727 177.584 -0.136 0.000 1.175 429 A CA 1.780 53.722 52.037 -0.158 0.000 0.628 429 A CB -0.511 18.385 19.000 -0.173 0.000 0.814 429 A HN 0.578 nan 8.150 nan 0.000 0.444 430 R N -0.555 119.863 120.500 -0.137 0.000 2.091 430 R HA -0.128 4.212 4.340 0.000 0.000 0.238 430 R C 2.242 178.475 176.300 -0.111 0.000 1.136 430 R CA 1.727 57.701 56.100 -0.210 0.000 0.959 430 R CB -0.708 29.452 30.300 -0.233 0.000 0.856 430 R HN 0.452 nan 8.270 nan 0.000 0.437 431 G N 0.906 109.618 108.800 -0.146 0.000 2.418 431 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 431 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 431 G C 1.478 176.245 174.900 -0.221 0.000 1.158 431 G CA 0.896 45.782 45.100 -0.357 0.000 0.771 431 G HN 0.283 nan 8.290 nan 0.000 0.545 432 I N 0.509 120.982 120.570 -0.162 0.000 2.118 432 I HA -0.218 3.952 4.170 0.000 0.000 0.241 432 I C 2.683 178.794 176.117 -0.010 0.000 1.070 432 I CA 1.763 63.006 61.300 -0.096 0.000 1.327 432 I CB -0.233 37.703 38.000 -0.106 0.000 1.034 432 I HN 0.302 nan 8.210 nan 0.000 0.405 433 E N 0.473 120.679 120.200 0.011 0.000 2.077 433 E HA -0.219 4.131 4.350 0.000 0.000 0.193 433 E C 2.051 178.791 176.600 0.232 0.000 0.989 433 E CA 1.935 58.394 56.400 0.098 0.000 0.800 433 E CB 0.049 29.816 29.700 0.111 0.000 0.746 433 E HN 0.448 nan 8.360 nan 0.000 0.452 434 T N 0.701 115.430 114.554 0.292 0.000 2.684 434 T HA -0.166 4.184 4.350 0.000 0.000 0.267 434 T C 1.895 176.732 174.700 0.227 0.000 1.036 434 T CA 1.451 63.768 62.100 0.363 0.000 1.148 434 T CB -0.371 68.785 68.868 0.480 0.000 0.863 434 T HN 0.351 nan 8.240 nan 0.000 0.436 435 A N 0.966 123.853 122.820 0.113 0.000 1.877 435 A HA -0.060 4.260 4.320 0.000 0.000 0.216 435 A C 2.618 180.286 177.584 0.140 0.000 1.186 435 A CA 1.497 53.584 52.037 0.084 0.000 0.620 435 A CB -1.067 17.929 19.000 -0.006 0.000 0.822 435 A HN 0.353 nan 8.150 nan 0.000 0.443 436 V N 0.121 120.136 119.914 0.168 0.000 2.295 436 V HA -0.254 3.866 4.120 0.000 0.000 0.246 436 V C 2.416 178.667 176.094 0.261 0.000 1.049 436 V CA 2.039 64.483 62.300 0.240 0.000 1.024 436 V CB -0.647 31.354 31.823 0.296 0.000 0.648 436 V HN 0.569 nan 8.190 nan 0.000 0.447 437 I N 0.347 121.070 120.570 0.256 0.000 2.315 437 I HA -0.196 3.974 4.170 0.000 0.000 0.248 437 I C 2.651 178.853 176.117 0.142 0.000 1.117 437 I CA 1.252 62.637 61.300 0.141 0.000 1.404 437 I CB -0.569 37.489 38.000 0.097 0.000 1.071 437 I HN 0.279 nan 8.210 nan 0.000 0.419 438 A N 0.451 123.408 122.820 0.228 0.000 1.908 438 A HA -0.290 4.030 4.320 0.000 0.000 0.218 438 A C 2.329 180.156 177.584 0.404 0.000 1.181 438 A CA 2.132 54.368 52.037 0.332 0.000 0.627 438 A CB -0.647 18.506 19.000 0.255 0.000 0.818 438 A HN 0.514 nan 8.150 nan 0.000 0.445 439 E N -1.893 118.468 120.200 0.269 0.000 2.072 439 E HA -0.221 4.129 4.350 0.000 0.000 0.191 439 E C 1.841 178.532 176.600 0.152 0.000 0.985 439 E CA 1.238 57.794 56.400 0.260 0.000 0.801 439 E CB -0.303 29.514 29.700 0.194 0.000 0.750 439 E HN 0.671 nan 8.360 nan 0.000 0.452 440 Y N 0.670 120.887 120.300 -0.137 0.000 2.352 440 Y HA -0.131 4.419 4.550 0.000 0.000 0.292 440 Y C 1.945 177.567 175.900 -0.463 0.000 1.136 440 Y CA 0.717 58.553 58.100 -0.441 0.000 1.227 440 Y CB -0.135 37.752 38.460 -0.953 0.000 0.991 440 Y HN -0.085 nan 8.280 nan 0.000 0.545 441 V N -0.254 119.400 119.914 -0.434 0.000 2.392 441 V HA -0.323 3.797 4.120 0.000 0.000 0.249 441 V C 2.574 178.154 176.094 -0.857 0.000 1.059 441 V CA 2.011 63.940 62.300 -0.618 0.000 1.051 441 V CB -1.466 30.072 31.823 -0.476 0.000 0.658 441 V HN 0.596 nan 8.190 nan 0.000 0.455 442 G N -0.523 107.779 108.800 -0.830 0.000 2.422 442 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 442 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 442 G C 1.631 176.259 174.900 -0.454 0.000 1.146 442 G CA 1.151 45.764 45.100 -0.812 0.000 0.769 442 G HN 0.409 nan 8.290 nan 0.000 0.547 443 V N 1.142 120.802 119.914 -0.424 0.000 2.307 443 V HA -0.194 3.926 4.120 0.000 0.000 0.245 443 V C 2.898 178.701 176.094 -0.485 0.000 1.045 443 V CA 2.012 64.084 62.300 -0.381 0.000 1.024 443 V CB -0.453 31.174 31.823 -0.328 0.000 0.651 443 V HN 0.362 nan 8.190 nan 0.000 0.449 444 M N -0.791 118.369 119.600 -0.734 0.000 2.108 444 M HA -0.194 4.286 4.480 0.000 0.000 0.261 444 M C 2.258 178.318 176.300 -0.400 0.000 1.066 444 M CA 1.778 56.761 55.300 -0.529 0.000 1.107 444 M CB -0.545 31.720 32.600 -0.559 0.000 1.356 444 M HN 0.348 nan 8.290 nan 0.000 0.406 445 L N 0.605 121.590 121.223 -0.396 0.000 2.046 445 L HA -0.218 4.122 4.340 0.000 0.000 0.208 445 L C 2.481 179.224 176.870 -0.212 0.000 1.077 445 L CA 1.975 56.663 54.840 -0.253 0.000 0.747 445 L CB -0.783 41.111 42.059 -0.276 0.000 0.896 445 L HN 0.245 nan 8.230 nan 0.000 0.432 446 Q N 0.005 119.663 119.800 -0.236 0.000 2.084 446 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 446 Q C 2.085 177.949 176.000 -0.228 0.000 0.978 446 Q CA 2.105 57.796 55.803 -0.186 0.000 0.844 446 Q CB -0.190 28.465 28.738 -0.138 0.000 0.898 446 Q HN 0.648 nan 8.270 nan 0.000 0.426 447 E N -1.179 118.846 120.200 -0.291 0.000 2.110 447 E HA -0.223 4.127 4.350 0.000 0.000 0.193 447 E C 1.778 178.001 176.600 -0.628 0.000 0.988 447 E CA 1.217 57.402 56.400 -0.358 0.000 0.804 447 E CB -0.337 29.198 29.700 -0.274 0.000 0.745 447 E HN 0.552 nan 8.360 nan 0.000 0.458 448 Y N 1.873 121.589 120.300 -0.973 0.000 2.145 448 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 448 Y C 2.070 177.714 175.900 -0.427 0.000 1.145 448 Y CA 1.474 59.039 58.100 -0.892 0.000 1.148 448 Y CB 0.162 38.217 38.460 -0.675 0.000 0.981 448 Y HN -0.145 nan 8.280 nan 0.000 0.507 449 K N 0.081 120.219 120.400 -0.436 0.000 2.063 449 K HA -0.211 4.109 4.320 0.000 0.000 0.208 449 K C 1.528 177.962 176.600 -0.276 0.000 1.048 449 K CA 1.817 57.873 56.287 -0.384 0.000 0.928 449 K CB -0.239 32.124 32.500 -0.228 0.000 0.713 449 K HN 0.382 nan 8.250 nan 0.000 0.442 450 D N 0.277 120.546 120.400 -0.219 0.000 2.144 450 D HA -0.158 4.482 4.640 0.000 0.000 0.199 450 D C 1.584 177.814 176.300 -0.115 0.000 0.984 450 D CA 0.829 54.745 54.000 -0.140 0.000 0.834 450 D CB -0.359 40.377 40.800 -0.106 0.000 0.955 450 D HN 0.252 nan 8.370 nan 0.000 0.465 451 N N 0.495 119.116 118.700 -0.132 0.000 2.142 451 N HA -0.096 4.644 4.740 0.000 0.000 0.186 451 N C 1.996 177.464 175.510 -0.070 0.000 1.023 451 N CA 0.538 53.565 53.050 -0.040 0.000 0.852 451 N CB 0.055 38.590 38.487 0.081 0.000 0.998 451 N HN 0.125 nan 8.380 nan 0.000 0.424 452 I N 1.262 121.726 120.570 -0.176 0.000 2.226 452 I HA -0.230 3.940 4.170 0.000 0.000 0.245 452 I C 2.458 178.508 176.117 -0.112 0.000 1.100 452 I CA 1.049 62.246 61.300 -0.172 0.000 1.374 452 I CB -0.318 37.489 38.000 -0.321 0.000 1.057 452 I HN 0.151 nan 8.210 nan 0.000 0.413 453 A N 0.587 123.337 122.820 -0.117 0.000 2.019 453 A HA -0.183 4.137 4.320 0.000 0.000 0.219 453 A C 2.161 179.716 177.584 -0.048 0.000 1.164 453 A CA 1.341 53.331 52.037 -0.078 0.000 0.644 453 A CB -0.405 18.548 19.000 -0.078 0.000 0.805 453 A HN 0.360 nan 8.150 nan 0.000 0.449 454 K N -1.471 118.906 120.400 -0.039 0.000 2.486 454 K HA 0.171 4.492 4.320 0.000 0.000 0.194 454 K C 1.074 177.669 176.600 -0.009 0.000 1.033 454 K CA 0.508 56.785 56.287 -0.016 0.000 1.004 454 K CB -0.069 32.429 32.500 -0.003 0.000 0.798 454 K HN 0.657 nan 8.250 nan 0.000 0.495 455 G N 2.043 110.834 108.800 -0.014 0.000 2.163 455 G HA2 -0.212 3.748 3.960 0.000 0.000 0.213 455 G HA3 -0.212 3.748 3.960 0.000 0.000 0.213 455 G C -0.544 174.362 174.900 0.010 0.000 0.991 455 G CA -0.084 45.014 45.100 -0.004 0.000 0.653 455 G HN 0.349 nan 8.290 nan 0.000 0.518 456 D N 1.131 121.539 120.400 0.013 0.000 2.365 456 D HA 0.344 4.984 4.640 0.000 0.000 0.237 456 D C 1.278 177.601 176.300 0.039 0.000 1.190 456 D CA -0.075 53.947 54.000 0.037 0.000 0.867 456 D CB -0.451 40.383 40.800 0.056 0.000 1.050 456 D HN 0.581 nan 8.370 nan 0.000 0.491 457 N N 2.129 120.862 118.700 0.054 0.000 2.234 457 N HA 0.075 4.815 4.740 0.000 0.000 0.227 457 N C -0.624 174.957 175.510 0.118 0.000 1.151 457 N CA -0.542 52.554 53.050 0.076 0.000 0.865 457 N CB 0.666 39.197 38.487 0.075 0.000 1.066 457 N HN -0.009 nan 8.380 nan 0.000 0.515 458 V N 2.328 122.303 119.914 0.101 0.000 2.498 458 V HA 0.184 4.304 4.120 0.000 0.000 0.279 458 V C 1.136 177.271 176.094 0.069 0.000 1.048 458 V CA -0.503 61.861 62.300 0.108 0.000 0.967 458 V CB 1.122 33.001 31.823 0.093 0.000 0.988 458 V HN 0.405 nan 8.190 nan 0.000 0.473 459 I N 0.888 121.472 120.570 0.023 0.000 4.526 459 I HA 0.484 4.654 4.170 0.000 0.000 0.330 459 I C 0.361 176.456 176.117 -0.037 0.000 1.323 459 I CA 0.143 61.406 61.300 -0.061 0.000 1.218 459 I CB 0.800 38.659 38.000 -0.235 0.000 1.233 459 I HN 0.580 nan 8.210 nan 0.000 0.430 460 C N 1.965 121.283 119.300 0.031 0.000 2.985 460 C HA 0.860 5.320 4.460 0.000 0.000 0.314 460 C C -0.302 174.760 174.990 0.119 0.000 1.215 460 C CA -0.022 59.040 59.018 0.073 0.000 1.414 460 C CB 1.272 29.067 27.740 0.091 0.000 1.842 460 C HN 0.504 nan 8.230 nan 0.000 0.477 461 A N 5.919 128.826 122.820 0.146 0.000 2.355 461 A HA 0.952 5.272 4.320 0.000 0.000 0.324 461 A C -2.722 175.011 177.584 0.249 0.000 1.117 461 A CA -1.103 51.034 52.037 0.167 0.000 0.785 461 A CB 1.082 20.174 19.000 0.154 0.000 1.254 461 A HN 0.764 nan 8.150 nan 0.000 0.453 462 P HA 0.422 nan 4.420 nan 0.000 0.274 462 P C -0.837 176.624 177.300 0.268 0.000 1.237 462 P CA -0.022 63.174 63.100 0.159 0.000 0.793 462 P CB 0.646 32.379 31.700 0.055 0.000 0.977 463 W N -0.694 120.632 121.300 0.045 0.000 3.005 463 W HA 0.533 5.193 4.660 0.000 0.000 0.343 463 W C -1.655 174.888 176.519 0.039 0.000 1.243 463 W CA -0.772 56.600 57.345 0.046 0.000 1.186 463 W CB 0.944 30.435 29.460 0.051 0.000 1.453 463 W HN 0.311 nan 8.180 nan 0.000 0.575 464 E N 1.375 121.700 120.200 0.209 0.000 2.293 464 E HA 0.367 4.717 4.350 0.000 0.000 0.270 464 E C -1.147 175.625 176.600 0.286 0.000 0.879 464 E CA -1.361 55.053 56.400 0.024 0.000 0.756 464 E CB 3.201 32.916 29.700 0.025 0.000 1.208 464 E HN 0.303 nan 8.360 nan 0.000 0.428 465 M N 4.668 124.375 119.600 0.179 0.000 2.146 465 M HA 0.227 4.707 4.480 0.000 0.000 0.352 465 M C -2.329 174.070 176.300 0.164 0.000 1.343 465 M CA -1.657 53.825 55.300 0.303 0.000 1.115 465 M CB 0.438 33.189 32.600 0.252 0.000 1.657 465 M HN 0.184 nan 8.290 nan 0.000 0.471 466 P HA 0.177 nan 4.420 nan 0.000 0.274 466 P C -0.424 176.920 177.300 0.073 0.000 1.231 466 P CA -0.265 62.890 63.100 0.092 0.000 0.790 466 P CB 0.799 32.548 31.700 0.080 0.000 0.951 467 K N 0.098 120.527 120.400 0.048 0.000 2.103 467 K HA -0.035 4.285 4.320 0.000 0.000 0.204 467 K C 0.971 177.588 176.600 0.028 0.000 1.052 467 K CA 1.142 57.452 56.287 0.038 0.000 0.945 467 K CB 0.138 32.653 32.500 0.025 0.000 0.722 467 K HN 0.576 nan 8.250 nan 0.000 0.443 468 Q N -0.700 119.111 119.800 0.018 0.000 2.304 468 Q HA 0.549 4.889 4.340 0.000 0.000 0.270 468 Q C -1.825 174.168 176.000 -0.011 0.000 1.035 468 Q CA -0.528 55.275 55.803 -0.001 0.000 0.781 468 Q CB 2.152 30.882 28.738 -0.013 0.000 1.261 468 Q HN 0.121 nan 8.270 nan 0.000 0.444 469 A N 3.371 126.173 122.820 -0.030 0.000 2.601 469 A HA 0.584 4.904 4.320 0.000 0.000 0.291 469 A C -1.750 175.768 177.584 -0.110 0.000 1.075 469 A CA -0.798 51.208 52.037 -0.052 0.000 0.671 469 A CB 1.661 20.657 19.000 -0.005 0.000 1.277 469 A HN 0.730 nan 8.150 nan 0.000 0.417 470 E N -0.092 119.997 120.200 -0.185 0.000 2.212 470 E HA 0.615 4.965 4.350 0.000 0.000 0.268 470 E C -0.172 176.391 176.600 -0.063 0.000 0.902 470 E CA -0.827 55.387 56.400 -0.310 0.000 0.779 470 E CB 2.457 31.614 29.700 -0.905 0.000 1.172 470 E HN 0.984 nan 8.360 nan 0.000 0.409 471 G N 0.471 109.376 108.800 0.174 0.000 2.660 471 G HA2 0.571 4.531 3.960 0.000 0.000 0.294 471 G HA3 0.571 4.531 3.960 0.000 0.000 0.294 471 G C -1.621 173.424 174.900 0.242 0.000 1.369 471 G CA -0.523 44.694 45.100 0.195 0.000 0.912 471 G HN 0.339 nan 8.290 nan 0.000 0.479 472 V N -0.295 119.548 119.914 -0.119 0.000 2.932 472 V HA 0.912 5.032 4.120 0.000 0.000 0.307 472 V C -0.152 175.460 176.094 -0.803 0.000 1.147 472 V CA 0.129 61.980 62.300 -0.747 0.000 0.951 472 V CB 2.110 33.130 31.823 -1.339 0.000 1.031 472 V HN 1.443 nan 8.190 nan 0.000 0.426 473 G N 4.581 112.806 108.800 -0.958 0.000 2.513 473 G HA2 0.728 4.688 3.960 0.000 0.000 0.317 473 G HA3 0.728 4.688 3.960 0.000 0.000 0.317 473 G C -1.605 172.740 174.900 -0.924 0.000 1.277 473 G CA -0.483 44.161 45.100 -0.759 0.000 0.955 473 G HN 0.543 nan 8.290 nan 0.000 0.484 474 F N 1.396 121.141 119.950 -0.342 0.000 2.467 474 F HA 0.580 5.107 4.527 0.000 0.000 0.336 474 F C 0.001 175.708 175.800 -0.155 0.000 1.123 474 F CA -0.922 56.931 58.000 -0.245 0.000 0.964 474 F CB 2.814 41.636 39.000 -0.297 0.000 1.136 474 F HN 0.213 nan 8.300 nan 0.000 0.447 475 V N 2.999 122.971 119.914 0.097 0.000 2.588 475 V HA 0.291 4.411 4.120 0.000 0.000 0.304 475 V C -0.591 175.542 176.094 0.065 0.000 1.042 475 V CA -1.039 61.254 62.300 -0.011 0.000 0.877 475 V CB 1.989 33.704 31.823 -0.180 0.000 0.996 475 V HN 0.710 nan 8.190 nan 0.000 0.425 476 N N 3.070 121.789 118.700 0.031 0.000 2.469 476 N HA 0.501 5.241 4.740 0.000 0.000 0.239 476 N C -0.049 175.481 175.510 0.034 0.000 1.053 476 N CA -0.017 53.040 53.050 0.012 0.000 0.937 476 N CB 1.644 40.154 38.487 0.039 0.000 1.163 476 N HN 0.884 nan 8.380 nan 0.000 0.509 477 A N 4.378 127.146 122.820 -0.088 0.000 2.240 477 A HA 0.440 4.760 4.320 0.000 0.000 0.292 477 A C -1.421 175.934 177.584 -0.380 0.000 1.121 477 A CA -1.164 50.731 52.037 -0.235 0.000 0.851 477 A CB 0.072 18.945 19.000 -0.211 0.000 1.167 477 A HN 0.419 nan 8.150 nan 0.000 0.503 478 P HA -0.098 nan 4.420 nan 0.000 0.219 478 P C 0.853 178.139 177.300 -0.023 0.000 1.146 478 P CA 1.342 64.134 63.100 -0.514 0.000 0.808 478 P CB 0.103 31.499 31.700 -0.507 0.000 0.779 479 R N -1.917 118.557 120.500 -0.044 0.000 2.362 479 R HA 0.424 4.764 4.340 0.000 0.000 0.227 479 R C 1.051 177.348 176.300 -0.005 0.000 0.905 479 R CA 0.396 56.507 56.100 0.019 0.000 1.067 479 R CB 0.444 30.769 30.300 0.043 0.000 1.078 479 R HN 0.183 nan 8.270 nan 0.000 0.516 480 G N -0.279 108.483 108.800 -0.064 0.000 2.265 480 G HA2 -0.107 3.854 3.960 0.000 0.000 0.246 480 G HA3 -0.107 3.854 3.960 0.000 0.000 0.246 480 G C -0.723 174.016 174.900 -0.269 0.000 1.299 480 G CA -0.760 44.246 45.100 -0.156 0.000 1.117 480 G HN 0.186 nan 8.290 nan 0.000 0.485 481 G N -0.080 108.373 108.800 -0.578 0.000 2.372 481 G HA2 0.621 4.581 3.960 0.000 0.000 0.286 481 G HA3 0.621 4.581 3.960 0.000 0.000 0.286 481 G C -0.333 174.350 174.900 -0.363 0.000 1.153 481 G CA 0.389 44.831 45.100 -1.097 0.000 0.985 481 G HN 1.319 nan 8.290 nan 0.000 0.429 482 L N 3.523 124.795 121.223 0.080 0.000 2.295 482 L HA 0.765 5.105 4.340 0.000 0.000 0.285 482 L C 0.168 177.284 176.870 0.410 0.000 1.035 482 L CA -0.583 54.398 54.840 0.236 0.000 0.806 482 L CB 1.860 43.903 42.059 -0.027 0.000 1.214 482 L HN 0.476 nan 8.230 nan 0.000 0.426 483 S N 2.679 118.625 115.700 0.409 0.000 2.547 483 S HA 0.611 5.081 4.470 0.000 0.000 0.281 483 S C -0.899 173.769 174.600 0.114 0.000 1.118 483 S CA -0.755 57.470 58.200 0.042 0.000 0.947 483 S CB 0.967 64.209 63.200 0.071 0.000 1.053 483 S HN 0.765 nan 8.310 nan 0.000 0.482 484 H N 0.668 119.456 119.070 -0.470 0.000 2.495 484 H HA 0.467 5.023 4.556 0.000 0.000 0.348 484 H C -1.544 173.332 175.328 -0.755 0.000 1.113 484 H CA -0.722 55.114 56.048 -0.353 0.000 1.195 484 H CB 1.314 30.996 29.762 -0.133 0.000 1.521 484 H HN 0.621 nan 8.280 nan 0.000 0.509 485 W N 4.001 124.966 121.300 -0.558 0.000 2.619 485 W HA 0.479 5.139 4.660 0.000 0.000 0.327 485 W C -0.743 175.454 176.519 -0.536 0.000 1.027 485 W CA -0.506 56.546 57.345 -0.489 0.000 1.233 485 W CB 1.223 30.375 29.460 -0.514 0.000 1.370 485 W HN 0.314 nan 8.180 nan 0.000 0.453 486 I N 3.767 124.321 120.570 -0.026 0.000 2.569 486 I HA 0.533 4.703 4.170 0.000 0.000 0.296 486 I C -0.520 175.698 176.117 0.168 0.000 1.028 486 I CA -1.214 60.055 61.300 -0.052 0.000 1.082 486 I CB 1.155 39.115 38.000 -0.067 0.000 1.264 486 I HN 0.257 nan 8.210 nan 0.000 0.429 487 R N 8.055 128.622 120.500 0.111 0.000 2.337 487 R HA 0.525 4.865 4.340 0.000 0.000 0.319 487 R C -1.064 175.264 176.300 0.046 0.000 0.954 487 R CA -0.635 55.484 56.100 0.032 0.000 0.840 487 R CB 1.437 31.755 30.300 0.029 0.000 1.164 487 R HN 0.584 nan 8.270 nan 0.000 0.472 488 I N 2.141 122.726 120.570 0.025 0.000 2.365 488 I HA 0.186 4.356 4.170 0.000 0.000 0.291 488 I C 0.255 176.386 176.117 0.023 0.000 1.004 488 I CA -0.398 60.928 61.300 0.043 0.000 1.311 488 I CB 1.338 39.369 38.000 0.052 0.000 1.401 488 I HN 0.379 nan 8.210 nan 0.000 0.491 489 E N 5.326 125.545 120.200 0.031 0.000 2.263 489 E HA 0.202 4.552 4.350 0.000 0.000 0.268 489 E C -0.486 176.129 176.600 0.026 0.000 0.884 489 E CA -0.392 56.020 56.400 0.020 0.000 0.766 489 E CB 1.002 30.712 29.700 0.017 0.000 1.196 489 E HN 0.506 nan 8.360 nan 0.000 0.416 490 D N 3.847 124.261 120.400 0.023 0.000 2.811 490 D HA -0.208 4.432 4.640 0.000 0.000 0.231 490 D C 0.733 177.054 176.300 0.035 0.000 1.157 490 D CA 2.429 56.444 54.000 0.025 0.000 0.716 490 D CB -1.173 39.639 40.800 0.020 0.000 1.077 490 D HN 1.012 nan 8.370 nan 0.000 0.428 491 G N -1.244 107.583 108.800 0.045 0.000 2.168 491 G HA2 -0.338 3.622 3.960 0.000 0.000 0.263 491 G HA3 -0.338 3.622 3.960 0.000 0.000 0.263 491 G C 0.411 175.352 174.900 0.070 0.000 0.977 491 G CA 0.966 46.104 45.100 0.064 0.000 0.659 491 G HN 0.507 nan 8.290 nan 0.000 0.533 492 K N -0.436 119.998 120.400 0.057 0.000 2.313 492 K HA 0.629 4.949 4.320 0.000 0.000 0.235 492 K C 0.612 177.249 176.600 0.062 0.000 1.035 492 K CA -1.290 55.029 56.287 0.054 0.000 0.868 492 K CB 1.074 33.596 32.500 0.036 0.000 1.232 492 K HN 0.143 nan 8.250 nan 0.000 0.459 493 I N 2.113 122.718 120.570 0.059 0.000 2.483 493 I HA -0.018 4.152 4.170 0.000 0.000 0.291 493 I C 1.487 177.646 176.117 0.070 0.000 1.112 493 I CA 0.265 61.619 61.300 0.089 0.000 1.350 493 I CB 0.437 38.486 38.000 0.082 0.000 1.419 493 I HN 0.796 nan 8.210 nan 0.000 0.523 494 G N 5.528 114.372 108.800 0.074 0.000 2.411 494 G HA2 -0.093 3.867 3.960 0.000 0.000 0.213 494 G HA3 -0.093 3.867 3.960 0.000 0.000 0.213 494 G C 0.562 175.505 174.900 0.072 0.000 1.166 494 G CA 0.396 45.531 45.100 0.057 0.000 0.802 494 G HN 0.538 nan 8.290 nan 0.000 0.533 495 N N -1.651 117.111 118.700 0.103 0.000 2.308 495 N HA 0.462 5.202 4.740 0.000 0.000 0.283 495 N C -2.413 173.206 175.510 0.181 0.000 1.105 495 N CA -0.895 52.227 53.050 0.121 0.000 0.840 495 N CB 1.971 40.518 38.487 0.099 0.000 1.633 495 N HN -0.070 nan 8.380 nan 0.000 0.476 496 F N 2.074 122.050 119.950 0.043 0.000 2.562 496 F HA 0.464 4.992 4.527 0.000 0.000 0.319 496 F C -1.043 174.766 175.800 0.015 0.000 1.154 496 F CA -0.389 57.633 58.000 0.036 0.000 0.931 496 F CB 1.370 40.354 39.000 -0.027 0.000 1.198 496 F HN 0.240 nan 8.300 nan 0.000 0.444 497 Q N 5.975 125.769 119.800 -0.009 0.000 2.337 497 Q HA 0.497 4.837 4.340 0.000 0.000 0.270 497 Q C -1.548 174.469 176.000 0.029 0.000 1.043 497 Q CA -0.988 54.837 55.803 0.037 0.000 0.794 497 Q CB 2.996 31.697 28.738 -0.063 0.000 1.281 497 Q HN 0.576 nan 8.270 nan 0.000 0.446 498 L N 1.685 122.888 121.223 -0.033 0.000 2.295 498 L HA 0.535 4.875 4.340 0.000 0.000 0.285 498 L C -0.288 176.584 176.870 0.004 0.000 1.035 498 L CA -0.646 54.099 54.840 -0.158 0.000 0.806 498 L CB 1.632 43.296 42.059 -0.659 0.000 1.214 498 L HN 0.253 nan 8.230 nan 0.000 0.426 499 V N 4.073 124.113 119.914 0.210 0.000 2.409 499 V HA 0.567 4.687 4.120 0.000 0.000 0.290 499 V C -0.196 176.111 176.094 0.355 0.000 1.017 499 V CA -0.623 61.820 62.300 0.238 0.000 0.841 499 V CB 1.732 33.716 31.823 0.269 0.000 1.003 499 V HN 0.471 nan 8.190 nan 0.000 0.426 500 V N 6.741 126.840 119.914 0.309 0.000 2.769 500 V HA 0.416 4.536 4.120 0.000 0.000 0.312 500 V C -1.487 174.827 176.094 0.367 0.000 1.058 500 V CA -1.740 60.765 62.300 0.342 0.000 0.952 500 V CB 2.288 34.326 31.823 0.360 0.000 1.019 500 V HN 0.548 nan 8.190 nan 0.000 0.445 501 P HA -0.121 nan 4.420 nan 0.000 0.215 501 P C 1.600 179.057 177.300 0.263 0.000 1.157 501 P CA 1.468 64.719 63.100 0.252 0.000 0.874 501 P CB 0.189 31.937 31.700 0.080 0.000 0.790 502 S N -1.167 114.658 115.700 0.209 0.000 2.447 502 S HA -0.086 4.384 4.470 0.000 0.000 0.233 502 S C 1.765 176.461 174.600 0.160 0.000 1.006 502 S CA 1.540 59.842 58.200 0.170 0.000 0.957 502 S CB -1.193 62.102 63.200 0.159 0.000 0.773 502 S HN 0.322 nan 8.310 nan 0.000 0.507 503 T N 0.733 115.395 114.554 0.179 0.000 2.708 503 T HA -0.138 4.212 4.350 0.000 0.000 0.266 503 T C 1.337 176.056 174.700 0.032 0.000 1.037 503 T CA 1.189 63.340 62.100 0.084 0.000 1.146 503 T CB -0.449 68.450 68.868 0.052 0.000 0.865 503 T HN 0.542 nan 8.240 nan 0.000 0.435 504 W N 1.629 122.967 121.300 0.062 0.000 2.333 504 W HA -0.136 4.524 4.660 0.000 0.000 0.316 504 W C 2.870 179.376 176.519 -0.021 0.000 1.215 504 W CA 1.375 58.737 57.345 0.029 0.000 1.278 504 W CB -0.995 28.470 29.460 0.008 0.000 1.154 504 W HN 0.166 nan 8.180 nan 0.000 0.486 505 T N -0.048 114.624 114.554 0.197 0.000 2.937 505 T HA -0.015 4.335 4.350 0.000 0.000 0.260 505 T C 1.482 176.108 174.700 -0.123 0.000 1.051 505 T CA 0.893 62.994 62.100 0.002 0.000 1.141 505 T CB -0.257 68.611 68.868 0.000 0.000 0.879 505 T HN -0.075 nan 8.240 nan 0.000 0.459 506 L N 0.328 121.527 121.223 -0.040 0.000 2.766 506 L HA 0.410 4.750 4.340 0.000 0.000 0.242 506 L C 1.447 178.320 176.870 0.005 0.000 1.136 506 L CA -0.321 54.493 54.840 -0.042 0.000 0.933 506 L CB -0.051 42.007 42.059 -0.001 0.000 1.241 506 L HN 0.151 nan 8.230 nan 0.000 0.522 507 G N 0.894 109.697 108.800 0.005 0.000 2.716 507 G HA2 0.246 4.206 3.960 0.000 0.000 0.251 507 G HA3 0.246 4.206 3.960 0.000 0.000 0.251 507 G C -2.312 172.570 174.900 -0.030 0.000 1.224 507 G CA -0.499 44.591 45.100 -0.018 0.000 0.891 507 G HN -0.084 nan 8.290 nan 0.000 0.561 508 P HA 0.235 nan 4.420 nan 0.000 0.312 508 P C -0.138 177.136 177.300 -0.042 0.000 1.308 508 P CA -0.731 62.306 63.100 -0.106 0.000 0.743 508 P CB 0.980 32.315 31.700 -0.609 0.000 1.364 509 R N -1.087 119.412 120.500 -0.003 0.000 2.784 509 R HA 0.176 4.516 4.340 0.000 0.000 0.266 509 R C 0.634 176.968 176.300 0.057 0.000 1.044 509 R CA -0.140 55.935 56.100 -0.043 0.000 1.151 509 R CB -0.341 29.821 30.300 -0.229 0.000 1.037 509 R HN 0.616 nan 8.270 nan 0.000 0.478 510 C N -0.508 118.789 119.300 -0.005 0.000 2.534 510 C HA 0.330 4.790 4.460 0.000 0.000 0.398 510 C C 1.404 176.428 174.990 0.056 0.000 1.609 510 C CA -0.557 58.378 59.018 -0.138 0.000 1.916 510 C CB 0.705 28.053 27.740 -0.653 0.000 1.954 510 C HN 0.950 nan 8.230 nan 0.000 0.508 511 D N -0.612 119.806 120.400 0.030 0.000 2.363 511 D HA -0.063 4.577 4.640 0.000 0.000 0.226 511 D C 1.113 177.460 176.300 0.077 0.000 1.020 511 D CA 0.793 54.862 54.000 0.114 0.000 0.892 511 D CB -0.600 40.314 40.800 0.191 0.000 0.900 511 D HN 0.731 nan 8.370 nan 0.000 0.531 512 K N 0.018 120.426 120.400 0.012 0.000 2.387 512 K HA 0.163 4.483 4.320 0.000 0.000 0.198 512 K C -0.179 176.438 176.600 0.029 0.000 1.022 512 K CA -0.104 56.194 56.287 0.018 0.000 1.128 512 K CB -0.212 32.282 32.500 -0.010 0.000 0.853 512 K HN 0.084 nan 8.250 nan 0.000 0.523 513 N N 1.460 120.205 118.700 0.074 0.000 2.741 513 N HA -0.193 4.547 4.740 0.000 0.000 0.251 513 N C -1.126 174.363 175.510 -0.034 0.000 1.112 513 N CA 0.456 53.531 53.050 0.043 0.000 0.750 513 N CB -0.795 37.729 38.487 0.060 0.000 1.119 513 N HN 0.201 nan 8.380 nan 0.000 0.561 514 K N 1.061 121.436 120.400 -0.042 0.000 2.339 514 K HA 0.224 4.544 4.320 0.000 0.000 0.286 514 K C 0.114 176.678 176.600 -0.060 0.000 1.050 514 K CA -0.503 55.756 56.287 -0.047 0.000 0.956 514 K CB 0.793 33.271 32.500 -0.038 0.000 0.990 514 K HN 0.005 nan 8.250 nan 0.000 0.475 515 L N 2.538 123.721 121.223 -0.066 0.000 2.485 515 L HA -0.045 4.295 4.340 0.000 0.000 0.275 515 L C 0.943 177.784 176.870 -0.048 0.000 1.207 515 L CA 0.579 55.373 54.840 -0.076 0.000 0.855 515 L CB 0.469 42.471 42.059 -0.095 0.000 1.114 515 L HN 0.737 nan 8.230 nan 0.000 0.485 516 S N 3.139 118.812 115.700 -0.044 0.000 2.608 516 S HA 0.293 4.763 4.470 0.000 0.000 0.261 516 S C -1.794 172.768 174.600 -0.063 0.000 1.314 516 S CA -0.917 57.261 58.200 -0.038 0.000 0.992 516 S CB 0.405 63.584 63.200 -0.035 0.000 0.935 516 S HN 0.515 nan 8.310 nan 0.000 0.564 517 P HA -0.108 nan 4.420 nan 0.000 0.215 517 P C 1.731 178.909 177.300 -0.202 0.000 1.157 517 P CA 0.746 63.781 63.100 -0.108 0.000 0.874 517 P CB -0.164 31.473 31.700 -0.107 0.000 0.790 518 V N 0.003 119.663 119.914 -0.424 0.000 2.407 518 V HA -0.263 3.857 4.120 0.000 0.000 0.248 518 V C 2.071 178.100 176.094 -0.109 0.000 1.055 518 V CA 2.020 64.049 62.300 -0.451 0.000 1.049 518 V CB -0.912 30.623 31.823 -0.481 0.000 0.662 518 V HN 0.093 nan 8.190 nan 0.000 0.455 519 E N 0.200 120.344 120.200 -0.093 0.000 2.051 519 E HA -0.164 4.186 4.350 0.000 0.000 0.192 519 E C 2.313 178.884 176.600 -0.048 0.000 0.991 519 E CA 1.356 57.712 56.400 -0.073 0.000 0.799 519 E CB -0.431 29.204 29.700 -0.109 0.000 0.748 519 E HN 0.681 nan 8.360 nan 0.000 0.449 520 A N 1.441 124.241 122.820 -0.033 0.000 1.902 520 A HA -0.221 4.099 4.320 0.000 0.000 0.217 520 A C 2.326 179.945 177.584 0.059 0.000 1.181 520 A CA 2.001 54.038 52.037 -0.001 0.000 0.623 520 A CB -0.738 18.263 19.000 0.002 0.000 0.818 520 A HN 0.335 nan 8.150 nan 0.000 0.443 521 S N -0.365 115.406 115.700 0.118 0.000 2.447 521 S HA -0.021 4.449 4.470 0.000 0.000 0.233 521 S C 1.726 176.443 174.600 0.195 0.000 1.006 521 S CA 1.306 59.638 58.200 0.220 0.000 0.957 521 S CB -0.552 62.907 63.200 0.431 0.000 0.773 521 S HN 0.441 nan 8.310 nan 0.000 0.507 522 L N 0.862 122.168 121.223 0.138 0.000 2.395 522 L HA 0.191 4.531 4.340 0.000 0.000 0.218 522 L C 0.268 177.177 176.870 0.065 0.000 1.130 522 L CA -0.027 54.882 54.840 0.113 0.000 0.826 522 L CB -0.261 41.847 42.059 0.083 0.000 0.941 522 L HN 0.296 nan 8.230 nan 0.000 0.451 523 I N 0.964 121.561 120.570 0.045 0.000 2.668 523 I HA 0.053 4.223 4.170 0.000 0.000 0.285 523 I C 1.459 177.600 176.117 0.040 0.000 1.168 523 I CA 1.006 62.319 61.300 0.022 0.000 1.424 523 I CB -0.273 37.730 38.000 0.006 0.000 1.377 523 I HN 0.359 nan 8.210 nan 0.000 0.560 524 G N 4.522 113.333 108.800 0.019 0.000 2.176 524 G HA2 -0.230 3.730 3.960 0.000 0.000 0.232 524 G HA3 -0.230 3.730 3.960 0.000 0.000 0.232 524 G C 0.482 175.343 174.900 -0.064 0.000 0.986 524 G CA 0.044 45.156 45.100 0.019 0.000 0.643 524 G HN 0.584 nan 8.290 nan 0.000 0.522 525 T N 4.425 118.927 114.554 -0.087 0.000 2.853 525 T HA 0.457 4.807 4.350 0.000 0.000 0.298 525 T C -1.840 172.709 174.700 -0.252 0.000 0.978 525 T CA 0.068 62.026 62.100 -0.237 0.000 1.152 525 T CB 1.678 70.518 68.868 -0.047 0.000 0.914 525 T HN 0.300 nan 8.240 nan 0.000 0.539 526 P HA 0.325 nan 4.420 nan 0.000 0.279 526 P C -1.047 176.210 177.300 -0.071 0.000 1.239 526 P CA -0.462 62.509 63.100 -0.216 0.000 0.789 526 P CB 0.786 32.323 31.700 -0.273 0.000 0.933 527 V N 2.653 122.574 119.914 0.012 0.000 2.380 527 V HA 0.321 4.441 4.120 0.000 0.000 0.286 527 V C 1.332 177.468 176.094 0.069 0.000 1.015 527 V CA -0.299 62.036 62.300 0.058 0.000 0.834 527 V CB 0.753 32.611 31.823 0.059 0.000 1.009 527 V HN 0.666 nan 8.190 nan 0.000 0.428 528 A N 3.091 125.971 122.820 0.100 0.000 1.929 528 A HA 0.018 4.338 4.320 0.000 0.000 0.216 528 A C 0.928 178.520 177.584 0.012 0.000 1.176 528 A CA 1.424 53.511 52.037 0.083 0.000 0.628 528 A CB -0.007 19.079 19.000 0.144 0.000 0.816 528 A HN 0.728 nan 8.150 nan 0.000 0.444 529 D N -2.024 118.361 120.400 -0.025 0.000 2.386 529 D HA 0.548 5.188 4.640 0.000 0.000 0.247 529 D C 0.563 176.780 176.300 -0.139 0.000 1.336 529 D CA 0.243 54.177 54.000 -0.111 0.000 0.976 529 D CB 1.218 41.886 40.800 -0.221 0.000 1.257 529 D HN 0.056 nan 8.370 nan 0.000 0.570 530 A N 4.073 126.758 122.820 -0.224 0.000 2.070 530 A HA -0.149 4.171 4.320 0.000 0.000 0.220 530 A C 1.798 179.208 177.584 -0.289 0.000 1.159 530 A CA 1.120 52.944 52.037 -0.355 0.000 0.656 530 A CB -0.142 18.325 19.000 -0.889 0.000 0.800 530 A HN 0.542 nan 8.150 nan 0.000 0.453 531 K N -0.896 119.363 120.400 -0.236 0.000 2.288 531 K HA 0.011 4.331 4.320 0.000 0.000 0.201 531 K C 0.203 176.656 176.600 -0.244 0.000 1.048 531 K CA 0.666 56.846 56.287 -0.179 0.000 0.956 531 K CB 0.090 32.517 32.500 -0.121 0.000 0.746 531 K HN 0.331 nan 8.250 nan 0.000 0.461 532 R N 1.135 121.430 120.500 -0.341 0.000 2.653 532 R HA 0.133 4.473 4.340 0.000 0.000 0.269 532 R C -2.586 173.339 176.300 -0.625 0.000 1.603 532 R CA -1.091 54.538 56.100 -0.785 0.000 1.671 532 R CB 1.155 31.265 30.300 -0.317 0.000 1.300 532 R HN -0.045 nan 8.270 nan 0.000 0.668 533 P HA -0.004 nan 4.420 nan 0.000 0.220 533 P C 0.949 178.272 177.300 0.038 0.000 1.806 533 P CA 0.086 63.121 63.100 -0.108 0.000 0.976 533 P CB 0.685 32.360 31.700 -0.042 0.000 1.952 534 V N 2.042 121.988 119.914 0.053 0.000 2.469 534 V HA -0.261 3.859 4.120 0.000 0.000 0.251 534 V C 1.989 178.124 176.094 0.069 0.000 1.064 534 V CA 2.129 64.527 62.300 0.162 0.000 1.066 534 V CB -0.618 31.230 31.823 0.042 0.000 0.667 534 V HN 0.173 nan 8.190 nan 0.000 0.461 535 E N 0.256 120.531 120.200 0.125 0.000 2.110 535 E HA -0.173 4.178 4.350 0.000 0.000 0.193 535 E C 1.984 178.735 176.600 0.252 0.000 0.988 535 E CA 1.867 58.433 56.400 0.275 0.000 0.804 535 E CB -0.305 29.616 29.700 0.368 0.000 0.745 535 E HN 0.669 nan 8.360 nan 0.000 0.458 536 I N 0.511 121.178 120.570 0.161 0.000 2.179 536 I HA -0.278 3.892 4.170 0.000 0.000 0.242 536 I C 2.129 178.295 176.117 0.082 0.000 1.088 536 I CA 1.038 62.417 61.300 0.132 0.000 1.357 536 I CB -0.285 37.777 38.000 0.103 0.000 1.051 536 I HN 0.120 nan 8.210 nan 0.000 0.409 537 L N 0.142 121.388 121.223 0.037 0.000 2.083 537 L HA -0.198 4.142 4.340 0.000 0.000 0.209 537 L C 2.776 179.608 176.870 -0.063 0.000 1.083 537 L CA 1.330 56.090 54.840 -0.133 0.000 0.752 537 L CB -0.625 41.405 42.059 -0.048 0.000 0.899 537 L HN 0.197 nan 8.230 nan 0.000 0.433 538 R N -0.619 119.885 120.500 0.006 0.000 2.083 538 R HA -0.149 4.191 4.340 0.000 0.000 0.237 538 R C 2.326 178.719 176.300 0.155 0.000 1.137 538 R CA 2.017 58.117 56.100 0.001 0.000 0.951 538 R CB -0.637 29.305 30.300 -0.597 0.000 0.851 538 R HN 0.309 nan 8.270 nan 0.000 0.434 539 T N 0.485 115.155 114.554 0.195 0.000 2.737 539 T HA -0.074 4.277 4.350 0.000 0.000 0.265 539 T C 1.988 176.860 174.700 0.286 0.000 1.038 539 T CA 1.242 63.508 62.100 0.277 0.000 1.144 539 T CB -0.118 68.970 68.868 0.367 0.000 0.866 539 T HN -0.020 nan 8.240 nan 0.000 0.434 540 V N 1.168 121.214 119.914 0.222 0.000 2.287 540 V HA -0.231 3.889 4.120 0.000 0.000 0.248 540 V C 2.149 178.387 176.094 0.240 0.000 1.053 540 V CA 1.837 64.278 62.300 0.235 0.000 1.027 540 V CB -0.747 31.106 31.823 0.050 0.000 0.646 540 V HN 0.664 nan 8.190 nan 0.000 0.447 541 H N 0.220 119.354 119.070 0.107 0.000 2.456 541 H HA -0.116 4.440 4.556 0.000 0.000 0.296 541 H C 2.461 177.655 175.328 -0.222 0.000 1.079 541 H CA 1.173 57.190 56.048 -0.052 0.000 1.322 541 H CB 0.018 29.668 29.762 -0.187 0.000 1.388 541 H HN 0.601 nan 8.280 nan 0.000 0.538 542 S N 0.434 116.104 115.700 -0.051 0.000 2.442 542 S HA -0.166 4.304 4.470 0.000 0.000 0.236 542 S C 1.539 176.040 174.600 -0.166 0.000 1.007 542 S CA 0.915 59.058 58.200 -0.095 0.000 0.965 542 S CB -0.505 62.673 63.200 -0.037 0.000 0.773 542 S HN 0.281 nan 8.310 nan 0.000 0.504 543 F N 1.843 121.812 119.950 0.030 0.000 2.710 543 F HA 0.232 4.759 4.527 0.000 0.000 0.298 543 F C 0.924 176.694 175.800 -0.050 0.000 1.137 543 F CA 0.267 58.275 58.000 0.014 0.000 1.444 543 F CB -0.508 38.525 39.000 0.055 0.000 1.111 543 F HN 0.157 nan 8.300 nan 0.000 0.580 544 D N 0.143 120.567 120.400 0.039 0.000 2.828 544 D HA -0.146 4.494 4.640 0.000 0.000 0.241 544 D C -2.423 173.929 176.300 0.085 0.000 1.142 544 D CA -0.184 53.750 54.000 -0.109 0.000 0.755 544 D CB -0.415 40.102 40.800 -0.472 0.000 1.014 544 D HN 0.111 nan 8.370 nan 0.000 0.420 548 A N 0.750 123.638 122.820 0.113 0.000 1.908 548 A HA -0.214 4.106 4.320 0.000 0.000 0.218 548 A C 2.447 180.115 177.584 0.140 0.000 1.181 548 A CA 2.472 54.570 52.037 0.102 0.000 0.627 548 A CB -1.001 18.045 19.000 0.077 0.000 0.818 548 A HN 0.510 nan 8.150 nan 0.000 0.445 549 C N -1.203 118.207 119.300 0.183 0.000 2.413 549 C HA -0.024 4.436 4.460 0.000 0.000 0.277 549 C C 3.048 178.248 174.990 0.349 0.000 1.228 549 C CA 0.944 60.125 59.018 0.273 0.000 1.731 549 C CB -1.573 26.344 27.740 0.294 0.000 2.042 549 C HN 0.707 nan 8.230 nan 0.000 0.468 550 G N -0.572 108.380 108.800 0.254 0.000 2.422 550 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 550 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 550 G C 1.560 176.554 174.900 0.156 0.000 1.146 550 G CA 1.491 46.729 45.100 0.231 0.000 0.769 550 G HN 0.442 nan 8.290 nan 0.000 0.547 551 V N 1.192 121.147 119.914 0.068 0.000 2.672 551 V HA 0.132 4.252 4.120 0.000 0.000 0.242 551 V C 1.138 176.869 176.094 -0.605 0.000 1.059 551 V CA 0.723 62.954 62.300 -0.115 0.000 1.081 551 V CB -0.712 31.193 31.823 0.137 0.000 0.752 551 V HN 0.764 nan 8.190 nan 0.000 0.472 552 H N 0.000 119.082 119.070 0.019 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.991 56.048 -0.095 0.000 1.023 552 H CB 0.000 29.711 29.762 -0.086 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496