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 2p50_1_C DATA FIRST_RESID 1 DATA SEQUENCE MYALTQGRIF TGHEFLDDHA VVIADGLIKS VCPVAELPPE IEQRSLNGAI DATA SEQUENCE LSPGFIDVQL NGCGGVQFND TAEAVSVETL EIMQKANEKS GCTNYLPTLI DATA SEQUENCE TTSDELMKQG VRVMREYLAK HPNQALGLHL EGPWLNLVKK GTHNPNFVRK DATA SEQUENCE PDAALVDFLC ENADVITKVT LAPEMVPAEV ISKLANAGIV VSAGHSNATL DATA SEQUENCE KEAKAGFRAG ITFATHLYNA MPYITGREPG LAGAILDEAD IYCGIIADGL DATA SEQUENCE HVDYANIRNA KRLKGDKLCL VTDATAPAGA XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGSS LTMIEGVRNL VEHCGIALDE VLRMATLYPA RAIGVEKRLG DATA SEQUENCE TLAAGKVANL TAFTPDFKIT KTIVNGNEVV TQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.402 176.300 0.170 0.000 1.140 1 M CA 0.000 55.341 55.300 0.069 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 Y N 0.807 121.106 120.300 -0.002 0.000 2.741 2 Y HA 0.911 5.461 4.550 0.000 0.000 0.339 2 Y C -2.061 173.838 175.900 -0.001 0.000 1.226 2 Y CA -0.607 57.492 58.100 -0.002 0.000 1.072 2 Y CB 0.844 39.303 38.460 -0.002 0.000 1.331 2 Y HN 0.901 nan 8.280 nan 0.000 0.453 3 A N 2.239 125.147 122.820 0.147 0.000 2.393 3 A HA 0.754 5.074 4.320 0.000 0.000 0.306 3 A C -1.808 175.859 177.584 0.139 0.000 1.050 3 A CA -0.901 51.155 52.037 0.033 0.000 0.724 3 A CB 1.166 20.172 19.000 0.011 0.000 1.248 3 A HN 0.787 nan 8.150 nan 0.000 0.424 4 L N 2.503 123.779 121.223 0.089 0.000 2.276 4 L HA 0.626 4.966 4.340 0.000 0.000 0.286 4 L C 0.818 177.724 176.870 0.061 0.000 1.061 4 L CA -0.012 54.891 54.840 0.105 0.000 0.807 4 L CB 1.456 43.571 42.059 0.094 0.000 1.177 4 L HN 0.980 nan 8.230 nan 0.000 0.429 5 T N -1.187 113.399 114.554 0.055 0.000 2.696 5 T HA 0.369 4.719 4.350 0.000 0.000 0.291 5 T C -0.537 174.181 174.700 0.030 0.000 1.095 5 T CA -0.863 61.262 62.100 0.042 0.000 1.026 5 T CB 1.377 70.267 68.868 0.038 0.000 1.390 5 T HN 0.546 nan 8.240 nan 0.000 0.513 6 Q N -0.244 119.572 119.800 0.027 0.000 2.460 6 Q HA -0.044 4.296 4.340 0.000 0.000 0.311 6 Q C 0.124 176.125 176.000 0.003 0.000 1.396 6 Q CA 0.735 56.547 55.803 0.014 0.000 0.838 6 Q CB -2.074 26.669 28.738 0.008 0.000 1.140 6 Q HN 1.329 nan 8.270 nan 0.000 0.415 7 G N -0.314 108.490 108.800 0.006 0.000 2.506 7 G HA2 0.442 4.402 3.960 0.000 0.000 0.292 7 G HA3 0.442 4.402 3.960 0.000 0.000 0.292 7 G C -1.327 173.571 174.900 -0.002 0.000 1.425 7 G CA -1.204 43.886 45.100 -0.016 0.000 0.788 7 G HN 0.072 nan 8.290 nan 0.000 0.490 8 R N -0.174 120.313 120.500 -0.022 0.000 2.389 8 R HA 0.378 4.718 4.340 0.000 0.000 0.295 8 R C -0.380 175.986 176.300 0.109 0.000 1.075 8 R CA -0.081 56.038 56.100 0.031 0.000 1.005 8 R CB 0.946 31.221 30.300 -0.041 0.000 0.987 8 R HN 0.351 nan 8.270 nan 0.000 0.452 9 I N 4.199 124.862 120.570 0.155 0.000 2.355 9 I HA 0.187 4.357 4.170 0.000 0.000 0.288 9 I C -0.518 175.709 176.117 0.182 0.000 0.999 9 I CA -0.565 60.811 61.300 0.126 0.000 1.163 9 I CB 0.985 39.010 38.000 0.042 0.000 1.316 9 I HN 0.461 nan 8.210 nan 0.000 0.454 10 F N 6.239 126.184 119.950 -0.008 0.000 2.334 10 F HA 0.188 4.715 4.527 0.000 0.000 0.367 10 F C 1.534 177.227 175.800 -0.180 0.000 1.115 10 F CA -0.436 57.419 58.000 -0.242 0.000 1.116 10 F CB 1.244 40.002 39.000 -0.404 0.000 1.230 10 F HN 0.607 nan 8.300 nan 0.000 0.484 11 T N 1.147 115.248 114.554 -0.755 0.000 3.023 11 T HA 0.214 4.564 4.350 0.000 0.000 0.266 11 T C 1.524 175.721 174.700 -0.838 0.000 1.093 11 T CA 0.941 62.696 62.100 -0.576 0.000 1.129 11 T CB -0.008 68.657 68.868 -0.338 0.000 0.899 11 T HN 1.158 nan 8.240 nan 0.000 0.491 12 G N 0.135 107.887 108.800 -1.748 0.000 2.284 12 G HA2 -0.172 3.788 3.960 0.000 0.000 0.201 12 G HA3 -0.172 3.788 3.960 0.000 0.000 0.201 12 G C 0.607 174.882 174.900 -1.041 0.000 0.998 12 G CA 0.261 44.577 45.100 -1.308 0.000 0.651 12 G HN 0.636 nan 8.290 nan 0.000 0.489 13 H N 0.715 119.410 119.070 -0.626 0.000 3.255 13 H HA 0.444 5.000 4.556 0.000 0.000 0.256 13 H C 0.775 175.981 175.328 -0.202 0.000 1.049 13 H CA 0.706 56.596 56.048 -0.264 0.000 1.202 13 H CB 0.935 30.595 29.762 -0.169 0.000 1.497 13 H HN 0.709 nan 8.280 nan 0.000 0.503 14 E N -0.500 119.533 120.200 -0.278 0.000 2.409 14 E HA 0.210 4.560 4.350 0.000 0.000 0.280 14 E C -1.631 174.879 176.600 -0.150 0.000 1.079 14 E CA -0.875 55.472 56.400 -0.088 0.000 0.840 14 E CB 0.977 30.669 29.700 -0.014 0.000 1.309 14 E HN -0.071 nan 8.360 nan 0.000 0.447 15 F N 0.470 120.501 119.950 0.134 0.000 2.397 15 F HA 0.504 5.031 4.527 0.000 0.000 0.331 15 F C -0.466 175.306 175.800 -0.045 0.000 1.090 15 F CA -0.883 57.186 58.000 0.116 0.000 1.065 15 F CB 1.290 40.366 39.000 0.126 0.000 1.184 15 F HN 0.231 nan 8.300 nan 0.000 0.499 16 L N 2.642 123.928 121.223 0.106 0.000 2.386 16 L HA 0.331 4.671 4.340 0.000 0.000 0.271 16 L C 0.166 177.009 176.870 -0.044 0.000 0.993 16 L CA -0.324 54.404 54.840 -0.187 0.000 0.819 16 L CB 1.709 43.458 42.059 -0.516 0.000 1.294 16 L HN 0.560 nan 8.230 nan 0.000 0.414 17 D N 0.479 120.876 120.400 -0.006 0.000 2.407 17 D HA 0.139 4.779 4.640 0.000 0.000 0.208 17 D C -0.442 175.931 176.300 0.120 0.000 1.083 17 D CA 0.518 54.553 54.000 0.059 0.000 0.844 17 D CB 1.154 41.976 40.800 0.036 0.000 0.967 17 D HN 0.515 nan 8.370 nan 0.000 0.506 18 D N 0.206 120.773 120.400 0.278 0.000 3.078 18 D HA 0.130 4.770 4.640 0.000 0.000 0.363 18 D C 0.058 176.509 176.300 0.251 0.000 1.391 18 D CA -0.181 53.945 54.000 0.211 0.000 0.754 18 D CB 0.765 41.637 40.800 0.120 0.000 1.238 18 D HN 0.244 nan 8.370 nan 0.000 0.500 19 H N -0.163 118.916 119.070 0.016 0.000 2.995 19 H HA 0.856 5.412 4.556 0.000 0.000 0.305 19 H C -0.452 174.880 175.328 0.007 0.000 1.510 19 H CA -1.157 54.897 56.048 0.010 0.000 1.376 19 H CB 2.482 32.251 29.762 0.012 0.000 1.918 19 H HN 0.098 nan 8.280 nan 0.000 0.709 20 A N 0.605 123.510 122.820 0.142 0.000 2.606 20 A HA 0.524 4.844 4.320 0.000 0.000 0.293 20 A C -1.543 176.064 177.584 0.039 0.000 1.082 20 A CA -0.530 51.547 52.037 0.066 0.000 0.685 20 A CB 1.585 20.604 19.000 0.031 0.000 1.284 20 A HN 0.276 nan 8.150 nan 0.000 0.408 21 V N 1.732 121.649 119.914 0.005 0.000 2.378 21 V HA 0.505 4.625 4.120 0.000 0.000 0.288 21 V C -0.010 176.027 176.094 -0.095 0.000 1.016 21 V CA -0.553 61.725 62.300 -0.035 0.000 0.840 21 V CB 1.225 33.025 31.823 -0.038 0.000 0.994 21 V HN 1.122 nan 8.190 nan 0.000 0.431 22 V N 4.309 124.160 119.914 -0.106 0.000 2.406 22 V HA 0.640 4.760 4.120 0.000 0.000 0.272 22 V C -0.248 175.706 176.094 -0.235 0.000 1.043 22 V CA -0.290 61.911 62.300 -0.164 0.000 0.915 22 V CB 0.974 32.737 31.823 -0.099 0.000 0.988 22 V HN 0.653 nan 8.190 nan 0.000 0.466 23 I N 4.925 125.230 120.570 -0.441 0.000 2.354 23 I HA 0.821 4.991 4.170 0.000 0.000 0.292 23 I C 0.281 176.200 176.117 -0.329 0.000 0.989 23 I CA -0.514 60.517 61.300 -0.447 0.000 1.188 23 I CB 1.731 39.296 38.000 -0.725 0.000 1.342 23 I HN 0.924 nan 8.210 nan 0.000 0.457 24 A N 4.083 126.809 122.820 -0.156 0.000 2.465 24 A HA 0.547 4.868 4.320 0.000 0.000 0.292 24 A C -0.755 176.810 177.584 -0.033 0.000 1.041 24 A CA -0.512 51.483 52.037 -0.071 0.000 0.718 24 A CB 0.854 19.820 19.000 -0.056 0.000 1.266 24 A HN 0.773 nan 8.150 nan 0.000 0.403 25 D N 1.714 122.113 120.400 -0.002 0.000 2.699 25 D HA -0.156 4.484 4.640 0.000 0.000 0.239 25 D C 1.168 177.469 176.300 0.002 0.000 1.136 25 D CA 2.809 56.812 54.000 0.004 0.000 0.668 25 D CB -1.313 39.486 40.800 -0.003 0.000 1.060 25 D HN 2.186 nan 8.370 nan 0.000 0.429 26 G N -1.137 107.669 108.800 0.010 0.000 2.180 26 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 26 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 26 G C 0.297 175.193 174.900 -0.007 0.000 0.989 26 G CA 0.922 46.028 45.100 0.011 0.000 0.692 26 G HN 0.547 nan 8.290 nan 0.000 0.526 27 L N -0.397 120.811 121.223 -0.025 0.000 2.350 27 L HA 0.571 4.912 4.340 0.000 0.000 0.260 27 L C 0.258 177.094 176.870 -0.057 0.000 1.015 27 L CA -1.591 53.230 54.840 -0.032 0.000 0.821 27 L CB 1.621 43.665 42.059 -0.026 0.000 1.370 27 L HN -0.181 nan 8.230 nan 0.000 0.416 28 I N 2.172 122.711 120.570 -0.052 0.000 2.329 28 I HA 0.025 4.195 4.170 0.000 0.000 0.295 28 I C 1.042 177.123 176.117 -0.059 0.000 1.109 28 I CA 0.169 61.430 61.300 -0.066 0.000 1.297 28 I CB 0.649 38.618 38.000 -0.051 0.000 1.433 28 I HN 0.666 nan 8.210 nan 0.000 0.509 29 K N 5.552 125.906 120.400 -0.075 0.000 2.002 29 K HA -0.101 4.219 4.320 0.000 0.000 0.209 29 K C 0.465 177.038 176.600 -0.046 0.000 1.048 29 K CA 1.361 57.613 56.287 -0.059 0.000 0.930 29 K CB 0.308 32.765 32.500 -0.071 0.000 0.714 29 K HN 0.783 nan 8.250 nan 0.000 0.438 30 S N -2.587 113.083 115.700 -0.051 0.000 2.627 30 S HA 0.351 4.821 4.470 0.000 0.000 0.268 30 S C -1.639 172.946 174.600 -0.026 0.000 1.130 30 S CA -0.663 57.518 58.200 -0.033 0.000 0.819 30 S CB 1.206 64.391 63.200 -0.025 0.000 1.100 30 S HN 0.201 nan 8.310 nan 0.000 0.465 31 V N 1.206 121.117 119.914 -0.004 0.000 2.483 31 V HA 0.826 4.946 4.120 0.000 0.000 0.297 31 V C -0.381 175.750 176.094 0.062 0.000 1.027 31 V CA 0.125 62.440 62.300 0.025 0.000 0.855 31 V CB 0.109 31.943 31.823 0.018 0.000 0.995 31 V HN 1.922 nan 8.190 nan 0.000 0.424 32 C N 5.329 124.671 119.300 0.069 0.000 3.288 32 C HA 0.804 5.264 4.460 0.000 0.000 0.318 32 C C -2.934 171.996 174.990 -0.101 0.000 1.356 32 C CA -1.669 57.361 59.018 0.019 0.000 1.359 32 C CB 2.063 29.787 27.740 -0.027 0.000 1.688 32 C HN 0.725 nan 8.230 nan 0.000 0.467 33 P HA 0.041 nan 4.420 nan 0.000 0.269 33 P C 1.048 178.216 177.300 -0.219 0.000 1.209 33 P CA 0.720 63.458 63.100 -0.603 0.000 0.776 33 P CB 0.823 32.192 31.700 -0.552 0.000 0.876 34 V N 3.813 123.645 119.914 -0.136 0.000 2.231 34 V HA -0.351 3.769 4.120 0.000 0.000 0.250 34 V C 2.446 178.507 176.094 -0.054 0.000 1.058 34 V CA 3.247 65.515 62.300 -0.054 0.000 1.022 34 V CB -1.510 30.301 31.823 -0.020 0.000 0.640 34 V HN 0.700 nan 8.190 nan 0.000 0.445 35 A N -1.183 121.600 122.820 -0.061 0.000 2.084 35 A HA -0.305 4.015 4.320 0.000 0.000 0.221 35 A C 2.113 179.669 177.584 -0.047 0.000 1.161 35 A CA 2.112 54.122 52.037 -0.046 0.000 0.653 35 A CB -0.713 18.260 19.000 -0.046 0.000 0.802 35 A HN 0.792 nan 8.150 nan 0.000 0.457 36 E N -0.940 119.221 120.200 -0.064 0.000 2.511 36 E HA 0.140 4.491 4.350 0.000 0.000 0.196 36 E C -0.153 176.423 176.600 -0.039 0.000 1.066 36 E CA -0.321 56.046 56.400 -0.054 0.000 0.871 36 E CB -0.129 29.527 29.700 -0.073 0.000 0.863 36 E HN 0.604 nan 8.360 nan 0.000 0.520 37 L N 1.717 122.920 121.223 -0.033 0.000 2.350 37 L HA 0.294 4.634 4.340 0.000 0.000 0.275 37 L C -2.144 174.717 176.870 -0.015 0.000 1.099 37 L CA -2.160 52.667 54.840 -0.021 0.000 0.808 37 L CB 0.901 42.951 42.059 -0.015 0.000 1.149 37 L HN -0.124 nan 8.230 nan 0.000 0.442 38 P HA 0.138 nan 4.420 nan 0.000 0.274 38 P C -2.057 175.242 177.300 -0.002 0.000 1.291 38 P CA -1.131 61.965 63.100 -0.007 0.000 0.815 38 P CB 0.493 32.189 31.700 -0.006 0.000 0.897 39 P HA -0.260 nan 4.420 nan 0.000 0.220 39 P C 0.843 178.146 177.300 0.005 0.000 1.144 39 P CA 1.445 64.546 63.100 0.001 0.000 0.808 39 P CB 0.098 31.798 31.700 -0.001 0.000 0.763 40 E N 0.066 120.270 120.200 0.006 0.000 2.028 40 E HA -0.069 4.281 4.350 0.000 0.000 0.190 40 E C 1.220 177.830 176.600 0.016 0.000 0.984 40 E CA 0.316 56.721 56.400 0.009 0.000 0.800 40 E CB -1.096 28.608 29.700 0.007 0.000 0.758 40 E HN 0.385 nan 8.360 nan 0.000 0.448 41 I N 1.384 121.965 120.570 0.019 0.000 2.775 41 I HA -0.027 4.143 4.170 0.000 0.000 0.290 41 I C 0.491 176.634 176.117 0.045 0.000 1.203 41 I CA -0.458 60.862 61.300 0.034 0.000 1.433 41 I CB 0.241 38.259 38.000 0.029 0.000 1.354 41 I HN 0.063 nan 8.210 nan 0.000 0.579 42 E N 5.889 126.128 120.200 0.065 0.000 2.373 42 E HA 0.152 4.502 4.350 0.000 0.000 0.267 42 E C -1.061 175.593 176.600 0.091 0.000 1.032 42 E CA -0.591 55.847 56.400 0.063 0.000 0.889 42 E CB 0.781 30.512 29.700 0.052 0.000 0.984 42 E HN 0.731 nan 8.360 nan 0.000 0.425 43 Q N 3.227 123.065 119.800 0.064 0.000 2.400 43 Q HA 0.261 4.601 4.340 0.000 0.000 0.255 43 Q C -0.760 175.279 176.000 0.064 0.000 1.008 43 Q CA -0.441 55.406 55.803 0.073 0.000 0.841 43 Q CB 1.459 30.224 28.738 0.044 0.000 1.220 43 Q HN 0.372 nan 8.270 nan 0.000 0.474 44 R N 1.539 122.098 120.500 0.099 0.000 2.248 44 R HA 0.154 4.494 4.340 0.000 0.000 0.337 44 R C 0.125 176.455 176.300 0.050 0.000 1.085 44 R CA -0.184 55.947 56.100 0.050 0.000 0.934 44 R CB 0.786 31.103 30.300 0.029 0.000 1.034 44 R HN 0.401 nan 8.270 nan 0.000 0.465 45 S N 2.562 118.276 115.700 0.024 0.000 2.558 45 S HA 0.025 4.495 4.470 0.000 0.000 0.288 45 S C 1.214 175.821 174.600 0.012 0.000 1.318 45 S CA -0.305 57.906 58.200 0.017 0.000 1.056 45 S CB 0.472 63.676 63.200 0.007 0.000 0.853 45 S HN 0.589 nan 8.310 nan 0.000 0.505 46 L N 3.712 124.940 121.223 0.008 0.000 2.585 46 L HA 0.270 4.610 4.340 0.000 0.000 0.226 46 L C 0.758 177.618 176.870 -0.016 0.000 1.113 46 L CA 0.042 54.879 54.840 -0.005 0.000 0.876 46 L CB -0.603 41.449 42.059 -0.011 0.000 1.072 46 L HN 0.805 nan 8.230 nan 0.000 0.468 47 N N 0.846 119.539 118.700 -0.012 0.000 2.699 47 N HA -0.266 4.474 4.740 0.000 0.000 0.256 47 N C 1.063 176.557 175.510 -0.027 0.000 0.993 47 N CA 0.153 53.194 53.050 -0.016 0.000 0.759 47 N CB -0.752 37.727 38.487 -0.012 0.000 0.906 47 N HN 0.628 nan 8.380 nan 0.000 0.541 48 G N -1.253 107.527 108.800 -0.034 0.000 2.383 48 G HA2 -0.317 3.643 3.960 0.000 0.000 0.229 48 G HA3 -0.317 3.643 3.960 0.000 0.000 0.229 48 G C 0.457 175.308 174.900 -0.080 0.000 1.089 48 G CA 0.393 45.463 45.100 -0.051 0.000 0.640 48 G HN 1.060 nan 8.290 nan 0.000 0.510 49 A N 0.227 122.997 122.820 -0.083 0.000 2.567 49 A HA 0.461 4.782 4.320 0.000 0.000 0.236 49 A C 0.386 177.846 177.584 -0.206 0.000 1.088 49 A CA 1.059 53.012 52.037 -0.140 0.000 0.776 49 A CB 0.048 18.984 19.000 -0.107 0.000 1.033 49 A HN 1.038 nan 8.150 nan 0.000 0.513 50 I N 0.413 120.742 120.570 -0.402 0.000 2.353 50 I HA 0.316 4.486 4.170 0.000 0.000 0.293 50 I C -0.067 175.793 176.117 -0.429 0.000 0.992 50 I CA -0.046 60.999 61.300 -0.425 0.000 1.268 50 I CB 1.286 38.906 38.000 -0.633 0.000 1.387 50 I HN 0.534 nan 8.210 nan 0.000 0.478 51 L N 6.450 127.587 121.223 -0.143 0.000 2.275 51 L HA 0.691 5.031 4.340 0.000 0.000 0.288 51 L C -0.006 176.889 176.870 0.041 0.000 1.046 51 L CA 0.560 55.362 54.840 -0.064 0.000 0.805 51 L CB 1.101 43.155 42.059 -0.008 0.000 1.193 51 L HN 0.695 nan 8.230 nan 0.000 0.426 52 S N 5.229 120.970 115.700 0.068 0.000 2.595 52 S HA 0.782 5.252 4.470 0.000 0.000 0.281 52 S C -2.865 171.791 174.600 0.094 0.000 1.117 52 S CA -1.448 56.868 58.200 0.193 0.000 0.873 52 S CB 1.961 65.404 63.200 0.405 0.000 1.108 52 S HN 0.423 nan 8.310 nan 0.000 0.477 53 P HA 0.244 nan 4.420 nan 0.000 0.270 53 P C -0.132 177.174 177.300 0.009 0.000 1.223 53 P CA 0.028 63.154 63.100 0.043 0.000 0.785 53 P CB 0.170 31.898 31.700 0.048 0.000 0.923 54 G N 1.459 110.238 108.800 -0.035 0.000 2.491 54 G HA2 0.205 4.165 3.960 0.000 0.000 0.238 54 G HA3 0.205 4.165 3.960 0.000 0.000 0.238 54 G C -0.608 174.311 174.900 0.032 0.000 1.277 54 G CA -0.259 44.773 45.100 -0.113 0.000 0.851 54 G HN 0.222 nan 8.290 nan 0.000 0.573 55 F N 0.145 120.140 119.950 0.075 0.000 2.429 55 F HA 0.400 4.927 4.527 0.000 0.000 0.348 55 F C 0.922 176.756 175.800 0.057 0.000 1.109 55 F CA -1.006 57.028 58.000 0.058 0.000 1.232 55 F CB 0.767 39.792 39.000 0.043 0.000 1.157 55 F HN 0.129 nan 8.300 nan 0.000 0.564 56 I N 2.509 123.232 120.570 0.255 0.000 2.389 56 I HA 0.205 4.375 4.170 0.000 0.000 0.288 56 I C -0.807 175.389 176.117 0.131 0.000 0.999 56 I CA -0.652 60.742 61.300 0.157 0.000 1.129 56 I CB 1.672 39.731 38.000 0.099 0.000 1.288 56 I HN 0.366 nan 8.210 nan 0.000 0.444 57 D N 5.962 126.446 120.400 0.140 0.000 2.441 57 D HA 0.200 4.840 4.640 0.000 0.000 0.231 57 D C 0.750 177.111 176.300 0.102 0.000 1.073 57 D CA -0.442 53.630 54.000 0.120 0.000 0.850 57 D CB 1.870 42.747 40.800 0.128 0.000 1.062 57 D HN 0.369 nan 8.370 nan 0.000 0.524 58 V N 1.864 121.807 119.914 0.048 0.000 3.573 58 V HA 0.142 4.262 4.120 0.000 0.000 0.270 58 V C 0.456 176.556 176.094 0.009 0.000 1.221 58 V CA 0.325 62.597 62.300 -0.047 0.000 1.163 58 V CB -0.848 30.855 31.823 -0.200 0.000 0.847 58 V HN 0.517 nan 8.190 nan 0.000 0.468 59 Q N 0.716 120.593 119.800 0.129 0.000 2.483 59 Q HA 0.635 4.975 4.340 0.000 0.000 0.245 59 Q C -1.833 174.276 176.000 0.181 0.000 0.902 59 Q CA -0.560 55.386 55.803 0.239 0.000 0.767 59 Q CB 1.795 30.692 28.738 0.264 0.000 1.341 59 Q HN 0.448 nan 8.270 nan 0.000 0.453 60 L N 3.896 125.229 121.223 0.182 0.000 2.516 60 L HA 0.544 4.884 4.340 0.000 0.000 0.267 60 L C -0.801 176.137 176.870 0.113 0.000 0.957 60 L CA -0.069 54.844 54.840 0.122 0.000 0.860 60 L CB 1.893 44.018 42.059 0.110 0.000 1.265 60 L HN 0.684 nan 8.230 nan 0.000 0.403 61 N N 2.765 121.509 118.700 0.073 0.000 2.387 61 N HA 0.320 5.060 4.740 0.000 0.000 0.176 61 N C 0.437 175.990 175.510 0.072 0.000 1.022 61 N CA 0.869 53.962 53.050 0.072 0.000 0.883 61 N CB 0.970 39.478 38.487 0.035 0.000 1.019 61 N HN 0.708 nan 8.380 nan 0.000 0.435 62 G N -0.266 108.551 108.800 0.028 0.000 2.506 62 G HA2 0.515 4.476 3.960 0.000 0.000 0.292 62 G HA3 0.515 4.476 3.960 0.000 0.000 0.292 62 G C -1.524 173.356 174.900 -0.034 0.000 1.425 62 G CA -0.266 44.839 45.100 0.008 0.000 0.788 62 G HN 0.374 nan 8.290 nan 0.000 0.490 63 C N -3.034 116.238 119.300 -0.046 0.000 2.948 63 C HA 0.725 5.185 4.460 0.000 0.000 0.328 63 C C 1.280 176.238 174.990 -0.053 0.000 1.289 63 C CA 0.224 59.206 59.018 -0.059 0.000 1.200 63 C CB 1.044 28.724 27.740 -0.100 0.000 1.341 63 C HN 2.954 nan 8.230 nan 0.000 0.462 64 G N 0.128 108.902 108.800 -0.042 0.000 2.180 64 G HA2 0.294 4.254 3.960 0.000 0.000 0.263 64 G HA3 0.294 4.254 3.960 0.000 0.000 0.263 64 G C 1.856 176.745 174.900 -0.018 0.000 0.989 64 G CA 1.959 47.040 45.100 -0.032 0.000 0.692 64 G HN 3.411 nan 8.290 nan 0.000 0.526 65 G N -3.006 105.786 108.800 -0.013 0.000 2.278 65 G HA2 0.129 4.089 3.960 0.000 0.000 0.210 65 G HA3 0.129 4.089 3.960 0.000 0.000 0.210 65 G C 0.894 175.795 174.900 0.000 0.000 1.000 65 G CA 1.147 46.245 45.100 -0.005 0.000 0.635 65 G HN 2.234 nan 8.290 nan 0.000 0.495 66 V N -2.009 117.906 119.914 0.002 0.000 3.177 66 V HA 0.955 5.075 4.120 0.000 0.000 0.319 66 V C -0.404 175.705 176.094 0.025 0.000 1.125 66 V CA -0.663 61.647 62.300 0.017 0.000 1.029 66 V CB 1.859 33.701 31.823 0.032 0.000 1.119 66 V HN 0.576 nan 8.190 nan 0.000 0.452 67 Q N 0.083 119.909 119.800 0.044 0.000 2.315 67 Q HA 0.476 4.816 4.340 0.000 0.000 0.273 67 Q C -1.348 174.720 176.000 0.114 0.000 1.053 67 Q CA -0.572 55.267 55.803 0.059 0.000 0.817 67 Q CB 2.039 30.786 28.738 0.016 0.000 1.326 67 Q HN 0.805 nan 8.270 nan 0.000 0.423 68 F N 3.209 123.143 119.950 -0.027 0.000 2.913 68 F HA 0.453 4.980 4.527 0.000 0.000 0.293 68 F C -0.911 174.859 175.800 -0.050 0.000 1.223 68 F CA 0.053 58.037 58.000 -0.027 0.000 1.393 68 F CB -0.372 38.622 39.000 -0.009 0.000 1.102 68 F HN 0.542 nan 8.300 nan 0.000 0.524 69 N N -0.554 118.066 118.700 -0.134 0.000 2.774 69 N HA 0.388 5.128 4.740 0.000 0.000 0.264 69 N C -0.354 175.050 175.510 -0.177 0.000 1.415 69 N CA -0.354 52.578 53.050 -0.196 0.000 0.815 69 N CB 1.233 39.643 38.487 -0.128 0.000 1.514 69 N HN -0.004 nan 8.380 nan 0.000 0.523 70 D N -1.378 118.909 120.400 -0.187 0.000 4.473 70 D HA -0.235 4.405 4.640 0.000 0.000 0.201 70 D C -0.223 175.983 176.300 -0.157 0.000 0.853 70 D CA 2.439 56.343 54.000 -0.160 0.000 1.930 70 D CB -1.239 39.494 40.800 -0.111 0.000 1.102 70 D HN 0.679 nan 8.370 nan 0.000 0.417 71 T N -1.616 112.862 114.554 -0.126 0.000 2.897 71 T HA 0.634 4.984 4.350 0.000 0.000 0.294 71 T C 1.186 175.810 174.700 -0.127 0.000 1.004 71 T CA 0.052 62.088 62.100 -0.107 0.000 1.106 71 T CB 1.735 70.561 68.868 -0.070 0.000 0.949 71 T HN 0.507 nan 8.240 nan 0.000 0.520 72 A N 2.249 125.004 122.820 -0.109 0.000 2.067 72 A HA -0.040 4.280 4.320 0.000 0.000 0.219 72 A C 2.219 179.756 177.584 -0.078 0.000 1.158 72 A CA 0.911 52.884 52.037 -0.107 0.000 0.661 72 A CB -0.492 18.459 19.000 -0.081 0.000 0.801 72 A HN 0.919 nan 8.150 nan 0.000 0.452 73 E N 0.330 120.496 120.200 -0.057 0.000 2.158 73 E HA 0.021 4.371 4.350 0.000 0.000 0.191 73 E C 1.953 178.543 176.600 -0.017 0.000 0.982 73 E CA 1.094 57.478 56.400 -0.027 0.000 0.823 73 E CB -0.885 28.805 29.700 -0.017 0.000 0.766 73 E HN 0.524 nan 8.360 nan 0.000 0.468 74 A N 1.806 124.602 122.820 -0.041 0.000 2.016 74 A HA -0.005 4.315 4.320 0.000 0.000 0.217 74 A C 1.733 179.306 177.584 -0.018 0.000 1.162 74 A CA 0.579 52.606 52.037 -0.016 0.000 0.662 74 A CB -0.242 18.736 19.000 -0.036 0.000 0.812 74 A HN 0.129 nan 8.150 nan 0.000 0.450 75 V N 2.566 122.381 119.914 -0.164 0.000 2.157 75 V HA 0.376 4.496 4.120 0.000 0.000 0.241 75 V C 0.016 176.121 176.094 0.018 0.000 1.349 75 V CA 0.455 62.547 62.300 -0.346 0.000 1.319 75 V CB -1.285 30.219 31.823 -0.532 0.000 1.421 75 V HN 0.606 nan 8.190 nan 0.000 0.501 76 S N 3.420 119.260 115.700 0.233 0.000 2.697 76 S HA 0.497 4.967 4.470 0.000 0.000 0.289 76 S C 0.716 175.481 174.600 0.275 0.000 1.149 76 S CA -0.108 58.222 58.200 0.216 0.000 0.850 76 S CB 1.416 64.695 63.200 0.131 0.000 1.151 76 S HN 1.011 nan 8.310 nan 0.000 0.491 77 V N -1.256 118.792 119.914 0.224 0.000 2.809 77 V HA 0.018 4.138 4.120 0.000 0.000 0.256 77 V C 1.960 178.202 176.094 0.245 0.000 1.080 77 V CA 2.022 64.481 62.300 0.267 0.000 1.102 77 V CB -1.091 30.896 31.823 0.273 0.000 0.705 77 V HN 1.015 nan 8.190 nan 0.000 0.475 78 E N 0.834 121.141 120.200 0.178 0.000 2.106 78 E HA -0.181 4.169 4.350 0.000 0.000 0.192 78 E C 2.144 178.819 176.600 0.124 0.000 0.984 78 E CA 1.737 58.220 56.400 0.138 0.000 0.806 78 E CB -0.216 29.545 29.700 0.102 0.000 0.750 78 E HN 0.667 nan 8.360 nan 0.000 0.458 79 T N 1.282 115.921 114.554 0.142 0.000 2.746 79 T HA -0.134 4.216 4.350 0.000 0.000 0.267 79 T C 1.657 176.406 174.700 0.081 0.000 1.039 79 T CA 0.943 63.123 62.100 0.132 0.000 1.142 79 T CB -0.092 68.918 68.868 0.237 0.000 0.866 79 T HN 0.077 nan 8.240 nan 0.000 0.444 80 L N 1.156 122.410 121.223 0.052 0.000 2.093 80 L HA 0.011 4.351 4.340 0.000 0.000 0.208 80 L C 2.388 179.323 176.870 0.108 0.000 1.085 80 L CA 1.513 56.322 54.840 -0.052 0.000 0.755 80 L CB -0.864 40.964 42.059 -0.384 0.000 0.904 80 L HN 0.346 nan 8.230 nan 0.000 0.435 81 E N -0.555 119.748 120.200 0.171 0.000 2.107 81 E HA -0.142 4.208 4.350 0.000 0.000 0.191 81 E C 2.321 178.937 176.600 0.028 0.000 0.982 81 E CA 0.916 57.370 56.400 0.088 0.000 0.809 81 E CB -0.081 29.645 29.700 0.043 0.000 0.756 81 E HN 0.453 nan 8.360 nan 0.000 0.459 82 I N 0.691 121.278 120.570 0.029 0.000 2.286 82 I HA -0.244 3.926 4.170 0.000 0.000 0.245 82 I C 2.442 178.531 176.117 -0.046 0.000 1.104 82 I CA 1.002 62.302 61.300 -0.001 0.000 1.397 82 I CB -0.177 37.831 38.000 0.012 0.000 1.072 82 I HN 0.137 nan 8.210 nan 0.000 0.417 83 M N -0.077 119.475 119.600 -0.080 0.000 2.175 83 M HA -0.231 4.249 4.480 0.000 0.000 0.264 83 M C 2.376 178.487 176.300 -0.316 0.000 1.063 83 M CA 1.650 56.813 55.300 -0.228 0.000 1.119 83 M CB -0.375 32.031 32.600 -0.323 0.000 1.377 83 M HN 0.177 nan 8.290 nan 0.000 0.415 84 Q N 1.235 120.942 119.800 -0.155 0.000 2.050 84 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 84 Q C 1.679 177.650 176.000 -0.048 0.000 0.980 84 Q CA 1.855 57.636 55.803 -0.038 0.000 0.840 84 Q CB -0.059 28.761 28.738 0.138 0.000 0.898 84 Q HN 0.373 nan 8.270 nan 0.000 0.424 85 K N -0.345 120.031 120.400 -0.039 0.000 2.097 85 K HA -0.063 4.257 4.320 0.000 0.000 0.206 85 K C 2.065 178.643 176.600 -0.038 0.000 1.049 85 K CA 1.037 57.308 56.287 -0.028 0.000 0.933 85 K CB -0.227 32.261 32.500 -0.019 0.000 0.717 85 K HN 0.309 nan 8.250 nan 0.000 0.442 86 A N 2.010 124.792 122.820 -0.064 0.000 1.898 86 A HA -0.164 4.156 4.320 0.000 0.000 0.216 86 A C 1.809 179.355 177.584 -0.064 0.000 1.181 86 A CA 1.449 53.449 52.037 -0.061 0.000 0.620 86 A CB -0.418 18.535 19.000 -0.079 0.000 0.819 86 A HN 0.207 nan 8.150 nan 0.000 0.442 87 N N 0.211 118.845 118.700 -0.111 0.000 2.166 87 N HA -0.149 4.591 4.740 0.000 0.000 0.186 87 N C 1.574 177.075 175.510 -0.015 0.000 1.019 87 N CA 1.575 54.576 53.050 -0.083 0.000 0.856 87 N CB -0.455 37.940 38.487 -0.154 0.000 0.993 87 N HN 0.668 nan 8.380 nan 0.000 0.426 88 E N 0.792 120.983 120.200 -0.014 0.000 2.160 88 E HA -0.115 4.235 4.350 0.000 0.000 0.195 88 E C 1.529 178.133 176.600 0.007 0.000 0.991 88 E CA 0.856 57.257 56.400 0.002 0.000 0.810 88 E CB -0.002 29.700 29.700 0.004 0.000 0.742 88 E HN 0.383 nan 8.360 nan 0.000 0.466 89 K N 0.102 120.507 120.400 0.007 0.000 2.362 89 K HA 0.020 4.340 4.320 0.000 0.000 0.200 89 K C 1.169 177.792 176.600 0.038 0.000 1.046 89 K CA 0.581 56.879 56.287 0.019 0.000 0.952 89 K CB 0.234 32.741 32.500 0.012 0.000 0.753 89 K HN -0.109 nan 8.250 nan 0.000 0.466 90 S N -0.340 115.389 115.700 0.047 0.000 2.601 90 S HA 0.189 4.659 4.470 0.000 0.000 0.244 90 S C 0.709 175.402 174.600 0.155 0.000 1.001 90 S CA 0.246 58.502 58.200 0.092 0.000 0.984 90 S CB 1.135 64.382 63.200 0.079 0.000 0.842 90 S HN 0.548 nan 8.310 nan 0.000 0.474 91 G N 0.995 109.825 108.800 0.050 0.000 2.162 91 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 91 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 91 G C 0.287 175.095 174.900 -0.154 0.000 0.976 91 G CA 0.210 45.224 45.100 -0.144 0.000 0.655 91 G HN 0.636 nan 8.290 nan 0.000 0.533 92 C N 2.485 121.829 119.300 0.074 0.000 2.200 92 C HA 0.698 5.158 4.460 0.000 0.000 0.328 92 C C 2.082 177.117 174.990 0.075 0.000 1.148 92 C CA 0.696 59.795 59.018 0.135 0.000 1.624 92 C CB -0.541 27.289 27.740 0.149 0.000 2.167 92 C HN 0.727 nan 8.230 nan 0.000 0.484 93 T N 1.877 116.471 114.554 0.067 0.000 3.057 93 T HA 0.186 4.536 4.350 0.000 0.000 0.254 93 T C 0.286 175.065 174.700 0.131 0.000 1.094 93 T CA 0.354 62.497 62.100 0.072 0.000 1.088 93 T CB -0.238 68.650 68.868 0.033 0.000 0.934 93 T HN 0.732 nan 8.240 nan 0.000 0.497 94 N N 0.653 119.450 118.700 0.162 0.000 2.277 94 N HA 0.613 5.353 4.740 0.000 0.000 0.286 94 N C -1.726 173.933 175.510 0.248 0.000 1.140 94 N CA -1.004 52.148 53.050 0.170 0.000 0.799 94 N CB 1.990 40.523 38.487 0.078 0.000 1.596 94 N HN 0.458 nan 8.380 nan 0.000 0.473 95 Y N -1.047 119.240 120.300 -0.022 0.000 2.656 95 Y HA 0.685 5.235 4.550 0.000 0.000 0.334 95 Y C -2.381 173.471 175.900 -0.079 0.000 1.179 95 Y CA -1.321 56.755 58.100 -0.039 0.000 1.050 95 Y CB 0.693 39.130 38.460 -0.040 0.000 1.308 95 Y HN 0.272 nan 8.280 nan 0.000 0.456 96 L N 3.697 124.856 121.223 -0.106 0.000 2.276 96 L HA 0.596 4.936 4.340 0.000 0.000 0.286 96 L C -2.588 174.236 176.870 -0.076 0.000 1.024 96 L CA -2.579 52.144 54.840 -0.195 0.000 0.826 96 L CB 1.165 43.168 42.059 -0.092 0.000 1.211 96 L HN 0.469 nan 8.230 nan 0.000 0.422 97 P HA 0.101 nan 4.420 nan 0.000 0.266 97 P C -0.714 176.596 177.300 0.016 0.000 1.215 97 P CA 0.122 63.109 63.100 -0.189 0.000 0.763 97 P CB 0.384 31.678 31.700 -0.676 0.000 0.806 98 T N 4.861 119.491 114.554 0.126 0.000 2.749 98 T HA 0.397 4.747 4.350 0.000 0.000 0.287 98 T C -0.298 174.477 174.700 0.126 0.000 0.970 98 T CA -0.280 61.859 62.100 0.065 0.000 0.980 98 T CB 0.277 69.132 68.868 -0.021 0.000 0.924 98 T HN 0.120 nan 8.240 nan 0.000 0.456 99 L N 6.516 127.773 121.223 0.056 0.000 2.294 99 L HA 0.596 4.936 4.340 0.000 0.000 0.283 99 L C -0.125 176.681 176.870 -0.107 0.000 1.015 99 L CA -0.822 54.013 54.840 -0.009 0.000 0.831 99 L CB 0.278 42.338 42.059 0.002 0.000 1.217 99 L HN 0.666 nan 8.230 nan 0.000 0.420 100 I N 1.050 121.540 120.570 -0.134 0.000 3.021 100 I HA 0.428 4.599 4.170 0.000 0.000 0.303 100 I C 0.572 176.628 176.117 -0.102 0.000 1.044 100 I CA -0.542 60.684 61.300 -0.124 0.000 1.266 100 I CB 0.860 38.667 38.000 -0.322 0.000 1.447 100 I HN 0.789 nan 8.210 nan 0.000 0.593 101 T N 1.210 115.792 114.554 0.047 0.000 2.718 101 T HA 0.133 4.483 4.350 0.000 0.000 0.265 101 T C 0.036 174.666 174.700 -0.116 0.000 1.014 101 T CA 0.284 62.388 62.100 0.006 0.000 1.172 101 T CB -0.172 68.780 68.868 0.141 0.000 1.007 101 T HN 1.000 nan 8.240 nan 0.000 0.500 102 T N 1.524 115.961 114.554 -0.196 0.000 2.626 102 T HA 0.595 4.945 4.350 0.000 0.000 0.299 102 T C -0.249 174.205 174.700 -0.411 0.000 1.181 102 T CA -0.182 61.642 62.100 -0.461 0.000 1.053 102 T CB 0.894 69.532 68.868 -0.383 0.000 1.566 102 T HN 1.140 nan 8.240 nan 0.000 0.486 103 S N 0.963 116.336 115.700 -0.545 0.000 2.593 103 S HA 0.227 4.697 4.470 0.000 0.000 0.269 103 S C 0.486 175.048 174.600 -0.063 0.000 1.334 103 S CA -0.130 57.976 58.200 -0.157 0.000 1.015 103 S CB 0.453 63.573 63.200 -0.134 0.000 0.912 103 S HN 0.666 nan 8.310 nan 0.000 0.541 104 D N 1.004 121.416 120.400 0.019 0.000 2.149 104 D HA -0.060 4.580 4.640 0.000 0.000 0.198 104 D C 1.747 177.992 176.300 -0.092 0.000 0.990 104 D CA 1.350 55.333 54.000 -0.028 0.000 0.839 104 D CB -0.225 40.566 40.800 -0.014 0.000 0.948 104 D HN 0.705 nan 8.370 nan 0.000 0.460 105 E N -0.093 120.060 120.200 -0.077 0.000 2.072 105 E HA -0.036 4.314 4.350 0.000 0.000 0.191 105 E C 2.108 178.652 176.600 -0.094 0.000 0.985 105 E CA 0.438 56.783 56.400 -0.091 0.000 0.801 105 E CB -0.157 29.505 29.700 -0.062 0.000 0.750 105 E HN 0.279 nan 8.360 nan 0.000 0.452 106 L N -0.492 120.663 121.223 -0.114 0.000 2.156 106 L HA -0.081 4.259 4.340 0.000 0.000 0.208 106 L C 2.296 179.100 176.870 -0.110 0.000 1.095 106 L CA 0.709 55.468 54.840 -0.136 0.000 0.770 106 L CB -0.244 41.694 42.059 -0.202 0.000 0.914 106 L HN 0.228 nan 8.230 nan 0.000 0.439 107 M N -0.601 118.948 119.600 -0.085 0.000 2.132 107 M HA -0.218 4.262 4.480 0.000 0.000 0.263 107 M C 2.331 178.679 176.300 0.079 0.000 1.065 107 M CA 1.632 56.921 55.300 -0.018 0.000 1.122 107 M CB -0.240 32.356 32.600 -0.007 0.000 1.365 107 M HN 0.081 nan 8.290 nan 0.000 0.411 108 K N 0.353 120.759 120.400 0.011 0.000 2.057 108 K HA -0.239 4.081 4.320 0.000 0.000 0.207 108 K C 2.083 178.752 176.600 0.114 0.000 1.049 108 K CA 1.578 57.891 56.287 0.043 0.000 0.931 108 K CB -0.078 32.293 32.500 -0.216 0.000 0.714 108 K HN 0.331 nan 8.250 nan 0.000 0.440 109 Q N -0.358 119.460 119.800 0.030 0.000 2.084 109 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 109 Q C 1.922 177.964 176.000 0.071 0.000 0.978 109 Q CA 1.793 57.617 55.803 0.034 0.000 0.844 109 Q CB -0.292 28.433 28.738 -0.022 0.000 0.898 109 Q HN 0.432 nan 8.270 nan 0.000 0.426 110 G N 0.366 109.197 108.800 0.051 0.000 2.469 110 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 110 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 110 G C 1.425 176.438 174.900 0.189 0.000 1.150 110 G CA 1.106 46.283 45.100 0.128 0.000 0.763 110 G HN 0.303 nan 8.290 nan 0.000 0.561 111 V N 0.524 120.540 119.914 0.171 0.000 2.261 111 V HA -0.172 3.948 4.120 0.000 0.000 0.246 111 V C 2.796 178.966 176.094 0.127 0.000 1.047 111 V CA 2.206 64.593 62.300 0.144 0.000 1.015 111 V CB -0.504 31.432 31.823 0.190 0.000 0.642 111 V HN 0.395 nan 8.190 nan 0.000 0.446 112 R N -0.244 120.344 120.500 0.146 0.000 2.091 112 R HA -0.156 4.185 4.340 0.000 0.000 0.238 112 R C 2.200 178.571 176.300 0.118 0.000 1.136 112 R CA 1.844 58.015 56.100 0.119 0.000 0.959 112 R CB -0.333 30.033 30.300 0.109 0.000 0.856 112 R HN 0.411 nan 8.270 nan 0.000 0.437 113 V N 0.890 120.890 119.914 0.144 0.000 2.427 113 V HA -0.256 3.864 4.120 0.000 0.000 0.248 113 V C 2.321 178.518 176.094 0.171 0.000 1.051 113 V CA 1.760 64.165 62.300 0.176 0.000 1.048 113 V CB -0.375 31.595 31.823 0.245 0.000 0.666 113 V HN 0.371 nan 8.190 nan 0.000 0.456 114 M N 0.126 119.807 119.600 0.135 0.000 2.099 114 M HA -0.119 4.361 4.480 0.000 0.000 0.262 114 M C 2.254 178.617 176.300 0.105 0.000 1.067 114 M CA 1.866 57.205 55.300 0.065 0.000 1.124 114 M CB -0.641 31.969 32.600 0.018 0.000 1.353 114 M HN 0.158 nan 8.290 nan 0.000 0.410 115 R N -0.300 120.250 120.500 0.083 0.000 2.091 115 R HA -0.233 4.107 4.340 0.000 0.000 0.238 115 R C 2.223 178.571 176.300 0.080 0.000 1.136 115 R CA 2.180 58.319 56.100 0.065 0.000 0.959 115 R CB -0.485 29.843 30.300 0.046 0.000 0.856 115 R HN 0.654 nan 8.270 nan 0.000 0.437 116 E N -0.773 119.486 120.200 0.099 0.000 2.077 116 E HA -0.255 4.095 4.350 0.000 0.000 0.193 116 E C 1.789 178.451 176.600 0.103 0.000 0.989 116 E CA 1.256 57.707 56.400 0.085 0.000 0.800 116 E CB -0.277 29.480 29.700 0.094 0.000 0.746 116 E HN 0.490 nan 8.360 nan 0.000 0.452 117 Y N 1.114 121.438 120.300 0.040 0.000 2.200 117 Y HA -0.146 4.404 4.550 0.000 0.000 0.290 117 Y C 1.894 177.822 175.900 0.046 0.000 1.137 117 Y CA 1.506 59.650 58.100 0.074 0.000 1.163 117 Y CB -0.171 38.327 38.460 0.064 0.000 0.988 117 Y HN 0.031 nan 8.280 nan 0.000 0.518 118 L N -0.272 121.096 121.223 0.242 0.000 2.131 118 L HA -0.213 4.127 4.340 0.000 0.000 0.210 118 L C 2.662 179.522 176.870 -0.017 0.000 1.092 118 L CA 1.125 56.040 54.840 0.126 0.000 0.759 118 L CB -0.803 41.316 42.059 0.099 0.000 0.903 118 L HN 0.360 nan 8.230 nan 0.000 0.435 119 A N -0.495 122.302 122.820 -0.039 0.000 2.067 119 A HA -0.172 4.148 4.320 0.000 0.000 0.217 119 A C 2.382 179.869 177.584 -0.161 0.000 1.156 119 A CA 1.386 53.378 52.037 -0.075 0.000 0.683 119 A CB -0.180 18.792 19.000 -0.048 0.000 0.808 119 A HN 0.328 nan 8.150 nan 0.000 0.455 120 K N -1.334 118.900 120.400 -0.277 0.000 2.244 120 K HA 0.021 4.342 4.320 0.000 0.000 0.200 120 K C -0.370 175.760 176.600 -0.783 0.000 1.052 120 K CA 0.337 56.312 56.287 -0.521 0.000 0.980 120 K CB 0.167 32.303 32.500 -0.606 0.000 0.838 120 K HN 0.524 nan 8.250 nan 0.000 0.481 121 H N 1.771 120.585 119.070 -0.427 0.000 2.887 121 H HA 0.290 4.846 4.556 0.000 0.000 0.300 121 H C -2.567 172.641 175.328 -0.200 0.000 1.038 121 H CA -2.212 53.593 56.048 -0.405 0.000 1.352 121 H CB 1.594 30.881 29.762 -0.791 0.000 1.473 121 H HN 0.216 nan 8.280 nan 0.000 0.503 122 P HA 0.053 nan 4.420 nan 0.000 0.281 122 P C -0.038 177.295 177.300 0.055 0.000 1.249 122 P CA -0.483 62.630 63.100 0.022 0.000 0.810 122 P CB 1.215 32.913 31.700 -0.003 0.000 1.008 123 N N 0.055 118.785 118.700 0.051 0.000 2.714 123 N HA -0.185 4.555 4.740 0.000 0.000 0.252 123 N C 0.337 175.891 175.510 0.073 0.000 1.014 123 N CA 0.970 54.048 53.050 0.047 0.000 0.735 123 N CB -1.179 37.327 38.487 0.032 0.000 0.924 123 N HN 0.626 nan 8.380 nan 0.000 0.540 124 Q N -0.405 119.462 119.800 0.112 0.000 2.964 124 Q HA 0.563 4.903 4.340 0.000 0.000 0.209 124 Q C -0.160 175.876 176.000 0.058 0.000 1.114 124 Q CA -0.161 55.733 55.803 0.153 0.000 0.368 124 Q CB 0.145 29.029 28.738 0.243 0.000 5.277 124 Q HN 0.283 nan 8.270 nan 0.000 0.295 125 A N 1.684 124.505 122.820 0.001 0.000 2.476 125 A HA 0.153 4.473 4.320 0.000 0.000 0.275 125 A C 0.750 178.147 177.584 -0.311 0.000 1.133 125 A CA 0.203 51.856 52.037 -0.641 0.000 0.797 125 A CB -0.403 17.888 19.000 -1.181 0.000 1.081 125 A HN 0.536 nan 8.150 nan 0.000 0.510 126 L N 2.663 123.705 121.223 -0.303 0.000 2.156 126 L HA 0.205 4.545 4.340 0.000 0.000 0.208 126 L C 1.401 178.179 176.870 -0.153 0.000 1.095 126 L CA 1.092 55.836 54.840 -0.160 0.000 0.770 126 L CB -0.399 41.582 42.059 -0.131 0.000 0.914 126 L HN 0.875 nan 8.230 nan 0.000 0.439 127 G N -1.306 107.358 108.800 -0.226 0.000 2.328 127 G HA2 0.284 4.244 3.960 0.000 0.000 0.295 127 G HA3 0.284 4.244 3.960 0.000 0.000 0.295 127 G C -1.561 173.233 174.900 -0.177 0.000 1.413 127 G CA -0.910 44.090 45.100 -0.166 0.000 0.817 127 G HN -0.149 nan 8.290 nan 0.000 0.546 128 L N 0.647 121.810 121.223 -0.100 0.000 2.417 128 L HA 0.427 4.767 4.340 0.000 0.000 0.268 128 L C -0.027 176.863 176.870 0.034 0.000 1.158 128 L CA -0.715 54.104 54.840 -0.035 0.000 0.819 128 L CB 1.049 43.123 42.059 0.025 0.000 1.112 128 L HN 0.697 nan 8.230 nan 0.000 0.458 129 H N 4.078 123.115 119.070 -0.055 0.000 2.762 129 H HA 0.388 4.944 4.556 0.000 0.000 0.310 129 H C -1.156 174.166 175.328 -0.010 0.000 1.004 129 H CA -0.778 55.241 56.048 -0.049 0.000 1.267 129 H CB 0.581 30.313 29.762 -0.050 0.000 1.437 129 H HN 0.364 nan 8.280 nan 0.000 0.498 130 L N 4.660 125.960 121.223 0.127 0.000 2.268 130 L HA 0.274 4.614 4.340 0.000 0.000 0.289 130 L C 0.620 177.420 176.870 -0.117 0.000 1.064 130 L CA -0.217 54.591 54.840 -0.053 0.000 0.824 130 L CB 0.717 42.732 42.059 -0.073 0.000 1.202 130 L HN 0.566 nan 8.230 nan 0.000 0.433 131 E N 3.813 123.869 120.200 -0.241 0.000 1.993 131 E HA 0.484 4.835 4.350 0.000 0.000 0.271 131 E C 0.276 176.817 176.600 -0.099 0.000 1.008 131 E CA 0.017 56.325 56.400 -0.154 0.000 0.814 131 E CB 0.715 30.324 29.700 -0.152 0.000 1.098 131 E HN 0.796 nan 8.360 nan 0.000 0.407 132 G N 4.721 113.415 108.800 -0.176 0.000 2.483 132 G HA2 -0.170 3.790 3.960 0.000 0.000 0.521 132 G HA3 -0.170 3.790 3.960 0.000 0.000 0.521 132 G C -2.409 172.209 174.900 -0.470 0.000 1.278 132 G CA -0.373 44.575 45.100 -0.254 0.000 0.965 132 G HN 0.440 nan 8.290 nan 0.000 0.504 133 P HA 0.174 nan 4.420 nan 0.000 0.255 133 P C 0.155 177.388 177.300 -0.112 0.000 1.248 133 P CA 0.299 63.241 63.100 -0.263 0.000 0.807 133 P CB 0.123 31.748 31.700 -0.126 0.000 1.150 134 W N 1.842 123.150 121.300 0.014 0.000 1.303 134 W HA 0.288 4.948 4.660 0.000 0.000 0.478 134 W C 0.350 176.864 176.519 -0.008 0.000 0.604 134 W CA -0.419 56.931 57.345 0.009 0.000 2.319 134 W CB -1.311 28.160 29.460 0.019 0.000 1.443 134 W HN -0.067 nan 8.180 nan 0.000 0.249 135 L N 1.250 122.540 121.223 0.111 0.000 2.347 135 L HA 0.474 4.814 4.340 0.000 0.000 0.268 135 L C 0.633 177.535 176.870 0.054 0.000 1.019 135 L CA -1.054 53.812 54.840 0.044 0.000 0.806 135 L CB 0.751 42.747 42.059 -0.104 0.000 1.339 135 L HN -0.118 nan 8.230 nan 0.000 0.463 136 N N 0.500 119.228 118.700 0.047 0.000 2.425 136 N HA 0.267 5.007 4.740 0.000 0.000 0.268 136 N C 0.662 176.194 175.510 0.036 0.000 0.991 136 N CA -0.216 52.858 53.050 0.040 0.000 0.931 136 N CB 1.635 40.142 38.487 0.034 0.000 1.130 136 N HN 0.577 nan 8.380 nan 0.000 0.493 137 L N 2.907 124.149 121.223 0.031 0.000 2.137 137 L HA -0.213 4.127 4.340 0.000 0.000 0.213 137 L C 2.042 178.933 176.870 0.036 0.000 1.085 137 L CA 0.954 55.813 54.840 0.032 0.000 0.760 137 L CB -0.227 41.847 42.059 0.026 0.000 0.893 137 L HN 0.402 nan 8.230 nan 0.000 0.434 138 V N -0.763 119.167 119.914 0.026 0.000 2.469 138 V HA -0.218 3.902 4.120 0.000 0.000 0.251 138 V C 1.625 177.737 176.094 0.030 0.000 1.064 138 V CA 1.559 63.869 62.300 0.017 0.000 1.066 138 V CB -0.372 31.448 31.823 -0.004 0.000 0.667 138 V HN 0.381 nan 8.190 nan 0.000 0.461 139 K N 0.094 120.529 120.400 0.058 0.000 2.758 139 K HA 0.179 4.499 4.320 0.000 0.000 0.208 139 K C 1.418 178.149 176.600 0.218 0.000 1.091 139 K CA -0.123 56.227 56.287 0.105 0.000 1.059 139 K CB 0.481 33.027 32.500 0.077 0.000 0.801 139 K HN 0.606 nan 8.250 nan 0.000 0.470 140 K N 0.150 120.634 120.400 0.140 0.000 2.209 140 K HA -0.092 4.228 4.320 0.000 0.000 0.204 140 K C 1.210 177.950 176.600 0.233 0.000 1.048 140 K CA 1.224 57.576 56.287 0.109 0.000 0.940 140 K CB -0.229 32.319 32.500 0.080 0.000 0.729 140 K HN 0.123 nan 8.250 nan 0.000 0.451 141 G N 0.842 109.787 108.800 0.242 0.000 2.629 141 G HA2 -0.454 3.506 3.960 0.000 0.000 0.313 141 G HA3 -0.454 3.506 3.960 0.000 0.000 0.313 141 G C 0.866 175.876 174.900 0.183 0.000 1.217 141 G CA 1.123 46.372 45.100 0.249 0.000 0.994 141 G HN 0.338 nan 8.290 nan 0.000 0.549 142 T N 0.750 115.410 114.554 0.176 0.000 3.100 142 T HA 0.218 4.568 4.350 0.000 0.000 0.253 142 T C 1.084 175.788 174.700 0.006 0.000 1.118 142 T CA 1.208 63.340 62.100 0.055 0.000 1.058 142 T CB -0.327 68.535 68.868 -0.010 0.000 0.953 142 T HN 0.582 nan 8.240 nan 0.000 0.515 143 H N 2.500 121.548 119.070 -0.037 0.000 2.897 143 H HA 0.197 4.753 4.556 0.000 0.000 0.347 143 H C 0.605 175.932 175.328 -0.000 0.000 1.068 143 H CA -0.042 55.971 56.048 -0.057 0.000 1.426 143 H CB 0.190 29.876 29.762 -0.126 0.000 1.410 143 H HN 0.111 nan 8.280 nan 0.000 0.597 144 N N 4.918 123.692 118.700 0.123 0.000 2.434 144 N HA -0.044 4.697 4.740 0.000 0.000 0.268 144 N C -1.607 174.004 175.510 0.167 0.000 1.256 144 N CA -1.416 51.724 53.050 0.150 0.000 0.914 144 N CB 0.753 39.374 38.487 0.223 0.000 1.088 144 N HN 0.466 nan 8.380 nan 0.000 0.478 145 P HA -0.092 nan 4.420 nan 0.000 0.225 145 P C 0.335 177.648 177.300 0.022 0.000 1.148 145 P CA 0.881 64.020 63.100 0.064 0.000 0.779 145 P CB 0.482 32.207 31.700 0.042 0.000 0.780 146 N N -1.046 117.655 118.700 0.002 0.000 2.494 146 N HA 0.006 4.746 4.740 0.000 0.000 0.182 146 N C 0.982 176.237 175.510 -0.425 0.000 1.076 146 N CA 0.754 53.688 53.050 -0.192 0.000 0.908 146 N CB -0.368 37.971 38.487 -0.247 0.000 0.967 146 N HN 0.261 nan 8.380 nan 0.000 0.449 147 F N -0.160 119.795 119.950 0.008 0.000 2.724 147 F HA 0.231 4.758 4.527 0.000 0.000 0.306 147 F C 0.667 176.476 175.800 0.015 0.000 1.100 147 F CA -0.260 57.744 58.000 0.006 0.000 1.255 147 F CB 0.372 39.365 39.000 -0.010 0.000 1.072 147 F HN -0.322 nan 8.300 nan 0.000 0.589 148 V N 4.090 124.084 119.914 0.134 0.000 2.485 148 V HA 0.147 4.267 4.120 0.000 0.000 0.287 148 V C 0.198 176.347 176.094 0.092 0.000 1.022 148 V CA 0.221 62.577 62.300 0.093 0.000 1.067 148 V CB -0.390 31.468 31.823 0.059 0.000 0.967 148 V HN 0.316 nan 8.190 nan 0.000 0.479 149 R N 4.017 124.607 120.500 0.151 0.000 2.795 149 R HA 0.644 4.984 4.340 0.000 0.000 0.268 149 R C -0.986 175.473 176.300 0.264 0.000 1.041 149 R CA -1.316 54.884 56.100 0.166 0.000 0.927 149 R CB 1.746 32.137 30.300 0.152 0.000 1.235 149 R HN 0.536 nan 8.270 nan 0.000 0.463 150 K N 0.785 121.276 120.400 0.152 0.000 2.126 150 K HA 0.440 4.760 4.320 0.000 0.000 0.257 150 K C -2.230 174.362 176.600 -0.013 0.000 1.007 150 K CA -1.584 54.738 56.287 0.058 0.000 0.928 150 K CB 0.871 33.364 32.500 -0.012 0.000 1.013 150 K HN 0.362 nan 8.250 nan 0.000 0.473 151 P HA 0.086 nan 4.420 nan 0.000 0.282 151 P C -1.399 175.746 177.300 -0.259 0.000 1.249 151 P CA -0.211 62.483 63.100 -0.677 0.000 0.806 151 P CB 0.932 31.724 31.700 -1.514 0.000 0.984 152 D N 0.867 121.210 120.400 -0.094 0.000 2.457 152 D HA 0.303 4.943 4.640 0.000 0.000 0.240 152 D C 1.024 177.315 176.300 -0.015 0.000 1.041 152 D CA -1.018 52.962 54.000 -0.034 0.000 0.861 152 D CB 1.582 42.400 40.800 0.030 0.000 1.394 152 D HN 0.249 nan 8.370 nan 0.000 0.473 153 A N 2.413 125.221 122.820 -0.020 0.000 1.909 153 A HA -0.205 4.115 4.320 0.000 0.000 0.221 153 A C 2.153 179.766 177.584 0.048 0.000 1.223 153 A CA 3.384 55.422 52.037 0.001 0.000 0.658 153 A CB -1.270 17.730 19.000 0.001 0.000 0.831 153 A HN 0.860 nan 8.150 nan 0.000 0.462 154 A N -0.780 122.075 122.820 0.059 0.000 1.873 154 A HA -0.134 4.186 4.320 0.000 0.000 0.218 154 A C 2.292 179.965 177.584 0.148 0.000 1.193 154 A CA 1.714 53.802 52.037 0.085 0.000 0.629 154 A CB -0.715 18.318 19.000 0.055 0.000 0.826 154 A HN 0.616 nan 8.150 nan 0.000 0.447 155 L N -0.230 121.096 121.223 0.172 0.000 2.046 155 L HA -0.149 4.191 4.340 0.000 0.000 0.208 155 L C 2.512 179.601 176.870 0.366 0.000 1.077 155 L CA 1.552 56.558 54.840 0.278 0.000 0.747 155 L CB -0.292 41.975 42.059 0.346 0.000 0.896 155 L HN 0.290 nan 8.230 nan 0.000 0.432 156 V N 0.157 120.235 119.914 0.275 0.000 2.255 156 V HA -0.325 3.795 4.120 0.000 0.000 0.247 156 V C 2.151 178.358 176.094 0.189 0.000 1.051 156 V CA 2.177 64.613 62.300 0.227 0.000 1.018 156 V CB -0.700 31.136 31.823 0.023 0.000 0.641 156 V HN 0.472 nan 8.190 nan 0.000 0.445 157 D N -0.481 120.008 120.400 0.147 0.000 2.149 157 D HA -0.198 4.442 4.640 0.000 0.000 0.198 157 D C 1.823 178.218 176.300 0.158 0.000 0.990 157 D CA 1.308 55.382 54.000 0.123 0.000 0.839 157 D CB -0.387 40.475 40.800 0.103 0.000 0.948 157 D HN 0.470 nan 8.370 nan 0.000 0.460 158 F N 1.238 121.233 119.950 0.075 0.000 2.102 158 F HA -0.111 4.416 4.527 0.000 0.000 0.298 158 F C 2.039 177.883 175.800 0.072 0.000 1.105 158 F CA 1.141 59.182 58.000 0.068 0.000 1.239 158 F CB -0.299 38.744 39.000 0.072 0.000 0.991 158 F HN -0.104 nan 8.300 nan 0.000 0.474 159 L N -0.823 120.449 121.223 0.082 0.000 2.046 159 L HA -0.288 4.052 4.340 0.000 0.000 0.208 159 L C 2.660 179.491 176.870 -0.065 0.000 1.077 159 L CA 1.400 56.228 54.840 -0.020 0.000 0.747 159 L CB -1.331 40.829 42.059 0.169 0.000 0.896 159 L HN 0.266 nan 8.230 nan 0.000 0.432 160 C N 0.173 119.476 119.300 0.005 0.000 2.413 160 C HA -0.149 4.311 4.460 0.000 0.000 0.276 160 C C 2.620 177.578 174.990 -0.054 0.000 1.248 160 C CA 0.721 59.736 59.018 -0.005 0.000 1.742 160 C CB -0.803 26.952 27.740 0.025 0.000 2.017 160 C HN 0.509 nan 8.230 nan 0.000 0.481 161 E N 0.380 120.527 120.200 -0.089 0.000 2.268 161 E HA -0.089 4.261 4.350 0.000 0.000 0.195 161 E C 0.946 177.448 176.600 -0.163 0.000 0.995 161 E CA 0.619 56.956 56.400 -0.104 0.000 0.836 161 E CB -0.137 29.511 29.700 -0.088 0.000 0.763 161 E HN 0.669 nan 8.360 nan 0.000 0.491 162 N N -0.021 118.525 118.700 -0.258 0.000 2.275 162 N HA 0.147 4.887 4.740 0.000 0.000 0.236 162 N C 0.758 176.178 175.510 -0.150 0.000 1.154 162 N CA 0.078 52.977 53.050 -0.252 0.000 0.866 162 N CB 1.074 39.288 38.487 -0.455 0.000 1.093 162 N HN 0.029 nan 8.380 nan 0.000 0.515 163 A N 1.415 124.174 122.820 -0.102 0.000 2.076 163 A HA -0.185 4.135 4.320 0.000 0.000 0.220 163 A C 1.866 179.419 177.584 -0.052 0.000 1.160 163 A CA 1.378 53.380 52.037 -0.058 0.000 0.653 163 A CB -0.208 18.772 19.000 -0.034 0.000 0.801 163 A HN 0.379 nan 8.150 nan 0.000 0.455 164 D N 0.031 120.398 120.400 -0.056 0.000 2.312 164 D HA -0.101 4.539 4.640 0.000 0.000 0.211 164 D C 1.309 177.584 176.300 -0.042 0.000 0.964 164 D CA 1.667 55.641 54.000 -0.043 0.000 0.877 164 D CB -0.453 40.325 40.800 -0.037 0.000 0.924 164 D HN 0.621 nan 8.370 nan 0.000 0.515 165 V N -2.446 117.438 119.914 -0.051 0.000 3.380 165 V HA 0.370 4.491 4.120 0.000 0.000 0.307 165 V C 0.606 176.672 176.094 -0.046 0.000 1.434 165 V CA -0.617 61.658 62.300 -0.042 0.000 1.075 165 V CB -0.361 31.446 31.823 -0.027 0.000 0.954 165 V HN -0.031 nan 8.190 nan 0.000 0.444 166 I N 1.437 121.978 120.570 -0.049 0.000 2.428 166 I HA 0.312 4.483 4.170 0.000 0.000 0.279 166 I C 1.301 177.391 176.117 -0.045 0.000 1.040 166 I CA -0.161 61.117 61.300 -0.037 0.000 1.171 166 I CB 1.531 39.515 38.000 -0.027 0.000 1.312 166 I HN -0.019 nan 8.210 nan 0.000 0.470 167 T N 3.649 118.165 114.554 -0.065 0.000 2.777 167 T HA -0.087 4.264 4.350 0.000 0.000 0.266 167 T C 0.739 175.372 174.700 -0.112 0.000 1.040 167 T CA 1.289 63.331 62.100 -0.096 0.000 1.141 167 T CB 0.066 68.854 68.868 -0.134 0.000 0.868 167 T HN 0.504 nan 8.240 nan 0.000 0.444 168 K N 0.063 120.404 120.400 -0.098 0.000 2.551 168 K HA 0.572 4.892 4.320 0.000 0.000 0.269 168 K C -2.226 174.394 176.600 0.034 0.000 0.949 168 K CA -0.744 55.474 56.287 -0.116 0.000 0.849 168 K CB 2.692 34.971 32.500 -0.369 0.000 1.411 168 K HN -0.078 nan 8.250 nan 0.000 0.432 169 V N 2.589 122.538 119.914 0.059 0.000 2.577 169 V HA 0.506 4.626 4.120 0.000 0.000 0.303 169 V C -1.317 174.866 176.094 0.148 0.000 1.042 169 V CA -0.131 62.239 62.300 0.116 0.000 0.872 169 V CB 1.939 33.820 31.823 0.097 0.000 0.998 169 V HN 0.888 nan 8.190 nan 0.000 0.423 170 T N 8.453 123.118 114.554 0.185 0.000 2.799 170 T HA 0.772 5.122 4.350 0.000 0.000 0.286 170 T C -0.665 174.112 174.700 0.128 0.000 0.973 170 T CA -0.173 62.040 62.100 0.188 0.000 1.035 170 T CB 0.985 70.007 68.868 0.257 0.000 0.932 170 T HN 0.902 nan 8.240 nan 0.000 0.469 171 L N 0.257 121.576 121.223 0.160 0.000 2.540 171 L HA 0.944 5.284 4.340 0.000 0.000 0.256 171 L C -0.661 176.295 176.870 0.144 0.000 1.001 171 L CA -1.646 53.306 54.840 0.187 0.000 0.843 171 L CB 1.023 43.285 42.059 0.339 0.000 1.436 171 L HN 0.557 nan 8.230 nan 0.000 0.410 172 A N 1.818 124.718 122.820 0.133 0.000 2.310 172 A HA 0.693 5.013 4.320 0.000 0.000 0.300 172 A C -1.563 176.056 177.584 0.059 0.000 1.269 172 A CA -1.170 50.915 52.037 0.081 0.000 0.909 172 A CB -0.220 18.823 19.000 0.072 0.000 1.144 172 A HN 0.761 nan 8.150 nan 0.000 0.540 173 P HA -0.249 nan 4.420 nan 0.000 0.216 173 P C 1.028 178.311 177.300 -0.028 0.000 1.153 173 P CA 1.605 64.693 63.100 -0.020 0.000 0.858 173 P CB 0.173 31.818 31.700 -0.091 0.000 0.789 174 E N -0.508 119.673 120.200 -0.031 0.000 2.409 174 E HA -0.107 4.243 4.350 0.000 0.000 0.198 174 E C 1.343 177.935 176.600 -0.014 0.000 1.024 174 E CA 0.858 57.241 56.400 -0.029 0.000 0.861 174 E CB -0.636 29.046 29.700 -0.030 0.000 0.788 174 E HN 0.245 nan 8.360 nan 0.000 0.521 175 M N 0.958 120.561 119.600 0.005 0.000 2.383 175 M HA 0.255 4.735 4.480 0.000 0.000 0.247 175 M C -0.061 176.236 176.300 -0.006 0.000 1.117 175 M CA -0.128 55.181 55.300 0.014 0.000 0.995 175 M CB 0.918 33.549 32.600 0.051 0.000 1.480 175 M HN -0.166 nan 8.290 nan 0.000 0.485 176 V N 0.759 120.658 119.914 -0.025 0.000 2.789 176 V HA 0.460 4.581 4.120 0.000 0.000 0.311 176 V C -2.333 173.713 176.094 -0.081 0.000 1.073 176 V CA -1.631 60.624 62.300 -0.076 0.000 0.921 176 V CB 2.405 34.191 31.823 -0.062 0.000 1.009 176 V HN 0.079 nan 8.190 nan 0.000 0.426 177 P HA 0.231 nan 4.420 nan 0.000 0.271 177 P C 0.545 177.803 177.300 -0.071 0.000 1.218 177 P CA -0.032 63.017 63.100 -0.084 0.000 0.780 177 P CB 0.906 32.547 31.700 -0.098 0.000 0.901 178 A N 3.486 126.277 122.820 -0.049 0.000 1.933 178 A HA -0.195 4.125 4.320 0.000 0.000 0.218 178 A C 1.782 179.348 177.584 -0.029 0.000 1.175 178 A CA 1.510 53.526 52.037 -0.034 0.000 0.628 178 A CB -0.904 18.081 19.000 -0.024 0.000 0.814 178 A HN 0.685 nan 8.150 nan 0.000 0.444 179 E N 0.329 120.507 120.200 -0.037 0.000 2.338 179 E HA -0.079 4.271 4.350 0.000 0.000 0.197 179 E C 1.694 178.270 176.600 -0.041 0.000 1.007 179 E CA 1.288 57.670 56.400 -0.031 0.000 0.849 179 E CB -0.738 28.943 29.700 -0.031 0.000 0.774 179 E HN 0.345 nan 8.360 nan 0.000 0.506 180 V N 1.596 121.467 119.914 -0.072 0.000 2.379 180 V HA -0.179 3.941 4.120 0.000 0.000 0.245 180 V C 2.518 178.587 176.094 -0.040 0.000 1.044 180 V CA 1.282 63.520 62.300 -0.104 0.000 1.036 180 V CB -0.379 31.309 31.823 -0.225 0.000 0.664 180 V HN 0.184 nan 8.190 nan 0.000 0.453 181 I N -0.075 120.485 120.570 -0.016 0.000 2.179 181 I HA -0.228 3.942 4.170 0.000 0.000 0.242 181 I C 2.571 178.712 176.117 0.040 0.000 1.088 181 I CA 1.667 62.989 61.300 0.036 0.000 1.357 181 I CB -0.443 37.578 38.000 0.036 0.000 1.051 181 I HN 0.248 nan 8.210 nan 0.000 0.409 182 S N 0.429 116.143 115.700 0.022 0.000 2.368 182 S HA -0.224 4.246 4.470 0.000 0.000 0.225 182 S C 1.917 176.532 174.600 0.023 0.000 1.030 182 S CA 1.464 59.679 58.200 0.025 0.000 0.999 182 S CB -0.229 62.980 63.200 0.015 0.000 0.844 182 S HN 0.268 nan 8.310 nan 0.000 0.459 183 K N 1.291 121.699 120.400 0.014 0.000 2.001 183 K HA -0.085 4.235 4.320 0.000 0.000 0.214 183 K C 1.820 178.440 176.600 0.033 0.000 1.050 183 K CA 1.201 57.498 56.287 0.016 0.000 0.934 183 K CB -0.670 31.832 32.500 0.004 0.000 0.718 183 K HN 0.093 nan 8.250 nan 0.000 0.443 184 L N 0.689 121.942 121.223 0.051 0.000 2.013 184 L HA -0.159 4.181 4.340 0.000 0.000 0.212 184 L C 2.406 179.311 176.870 0.057 0.000 1.073 184 L CA 2.257 57.142 54.840 0.075 0.000 0.753 184 L CB -1.374 40.761 42.059 0.127 0.000 0.890 184 L HN 0.381 nan 8.230 nan 0.000 0.432 185 A N -0.645 122.208 122.820 0.056 0.000 1.877 185 A HA -0.218 4.102 4.320 0.000 0.000 0.216 185 A C 2.127 179.731 177.584 0.034 0.000 1.186 185 A CA 1.860 53.926 52.037 0.049 0.000 0.620 185 A CB -0.634 18.400 19.000 0.056 0.000 0.822 185 A HN 0.524 nan 8.150 nan 0.000 0.443 186 N N 0.402 119.119 118.700 0.029 0.000 2.223 186 N HA -0.092 4.648 4.740 0.000 0.000 0.185 186 N C 1.718 177.237 175.510 0.016 0.000 1.016 186 N CA 1.356 54.419 53.050 0.021 0.000 0.863 186 N CB -0.471 38.027 38.487 0.018 0.000 0.983 186 N HN 0.488 nan 8.380 nan 0.000 0.429 187 A N -0.065 122.765 122.820 0.017 0.000 2.119 187 A HA 0.252 4.572 4.320 0.000 0.000 0.217 187 A C 1.659 179.245 177.584 0.003 0.000 1.153 187 A CA 1.489 53.532 52.037 0.010 0.000 0.692 187 A CB -0.269 18.739 19.000 0.013 0.000 0.799 187 A HN 0.383 nan 8.150 nan 0.000 0.458 188 G N -1.668 107.136 108.800 0.007 0.000 2.211 188 G HA2 -0.150 3.810 3.960 0.000 0.000 0.201 188 G HA3 -0.150 3.810 3.960 0.000 0.000 0.201 188 G C 0.127 175.024 174.900 -0.005 0.000 0.997 188 G CA -0.067 45.033 45.100 -0.001 0.000 0.652 188 G HN 0.395 nan 8.290 nan 0.000 0.500 189 I N 1.775 122.349 120.570 0.006 0.000 2.474 189 I HA 0.358 4.528 4.170 0.000 0.000 0.287 189 I C 0.871 176.994 176.117 0.010 0.000 1.048 189 I CA -0.793 60.510 61.300 0.005 0.000 1.383 189 I CB 1.560 39.578 38.000 0.031 0.000 1.412 189 I HN -0.137 nan 8.210 nan 0.000 0.531 190 V N 7.347 127.249 119.914 -0.021 0.000 2.455 190 V HA 0.103 4.223 4.120 0.000 0.000 0.273 190 V C 0.213 176.317 176.094 0.017 0.000 1.045 190 V CA -0.388 61.901 62.300 -0.018 0.000 0.976 190 V CB 1.226 32.986 31.823 -0.104 0.000 0.993 190 V HN 0.387 nan 8.190 nan 0.000 0.475 191 V N 4.728 124.689 119.914 0.079 0.000 2.370 191 V HA 0.486 4.606 4.120 0.000 0.000 0.279 191 V C 0.274 176.469 176.094 0.168 0.000 1.029 191 V CA -0.131 62.241 62.300 0.120 0.000 0.870 191 V CB 1.480 33.383 31.823 0.132 0.000 0.984 191 V HN 0.850 nan 8.190 nan 0.000 0.451 192 S N 3.697 119.501 115.700 0.173 0.000 2.503 192 S HA 0.812 5.282 4.470 0.000 0.000 0.301 192 S C -0.130 174.589 174.600 0.199 0.000 1.087 192 S CA -0.263 58.088 58.200 0.251 0.000 1.042 192 S CB 1.557 64.934 63.200 0.295 0.000 1.043 192 S HN 1.158 nan 8.310 nan 0.000 0.489 193 A N 2.909 125.840 122.820 0.186 0.000 2.328 193 A HA 0.815 5.135 4.320 0.000 0.000 0.284 193 A C 0.546 178.180 177.584 0.083 0.000 1.160 193 A CA 0.028 52.133 52.037 0.113 0.000 0.818 193 A CB 0.038 19.082 19.000 0.074 0.000 1.087 193 A HN 1.375 nan 8.150 nan 0.000 0.504 194 G N 0.317 109.160 108.800 0.073 0.000 2.547 194 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 194 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 194 G C -0.518 174.450 174.900 0.112 0.000 1.471 194 G CA -0.567 44.554 45.100 0.034 0.000 0.798 194 G HN 1.032 nan 8.290 nan 0.000 0.504 195 H N -1.428 117.683 119.070 0.069 0.000 2.604 195 H HA -0.161 4.395 4.556 0.000 0.000 0.321 195 H C 0.484 175.818 175.328 0.010 0.000 1.132 195 H CA 1.596 57.669 56.048 0.042 0.000 1.129 195 H CB -1.083 28.643 29.762 -0.060 0.000 1.526 195 H HN 0.784 nan 8.280 nan 0.000 0.415 196 S N -0.205 115.533 115.700 0.063 0.000 2.568 196 S HA 0.330 4.800 4.470 0.000 0.000 0.293 196 S C 0.598 175.199 174.600 0.002 0.000 1.089 196 S CA -0.722 57.499 58.200 0.034 0.000 0.945 196 S CB 2.012 65.224 63.200 0.020 0.000 1.077 196 S HN 0.553 nan 8.310 nan 0.000 0.485 197 N N 1.931 120.625 118.700 -0.010 0.000 2.275 197 N HA 0.251 4.991 4.740 0.000 0.000 0.236 197 N C 0.268 175.757 175.510 -0.036 0.000 1.154 197 N CA -0.352 52.677 53.050 -0.035 0.000 0.866 197 N CB 0.266 38.730 38.487 -0.039 0.000 1.093 197 N HN 0.764 nan 8.380 nan 0.000 0.515 198 A N 1.097 123.897 122.820 -0.033 0.000 2.565 198 A HA 0.117 4.437 4.320 0.000 0.000 0.237 198 A C 0.931 178.490 177.584 -0.041 0.000 1.053 198 A CA 0.154 52.163 52.037 -0.046 0.000 0.755 198 A CB 0.042 18.999 19.000 -0.072 0.000 0.980 198 A HN 0.433 nan 8.150 nan 0.000 0.506 199 T N 0.799 115.330 114.554 -0.038 0.000 2.816 199 T HA 0.330 4.680 4.350 0.000 0.000 0.282 199 T C 1.236 175.919 174.700 -0.030 0.000 0.993 199 T CA 0.057 62.144 62.100 -0.021 0.000 0.994 199 T CB 0.490 69.349 68.868 -0.014 0.000 1.025 199 T HN 0.854 nan 8.240 nan 0.000 0.529 200 L N 0.657 121.876 121.223 -0.006 0.000 2.012 200 L HA -0.027 4.313 4.340 0.000 0.000 0.210 200 L C 2.753 179.611 176.870 -0.021 0.000 1.073 200 L CA 2.060 56.902 54.840 0.003 0.000 0.748 200 L CB -0.734 41.341 42.059 0.027 0.000 0.891 200 L HN 0.895 nan 8.230 nan 0.000 0.431 201 K N -0.535 119.854 120.400 -0.018 0.000 2.063 201 K HA -0.241 4.079 4.320 0.000 0.000 0.208 201 K C 2.010 178.574 176.600 -0.060 0.000 1.048 201 K CA 2.062 58.335 56.287 -0.024 0.000 0.928 201 K CB -0.166 32.326 32.500 -0.014 0.000 0.713 201 K HN 0.532 nan 8.250 nan 0.000 0.442 202 E N -0.182 119.975 120.200 -0.072 0.000 2.072 202 E HA -0.170 4.180 4.350 0.000 0.000 0.191 202 E C 1.962 178.447 176.600 -0.190 0.000 0.985 202 E CA 1.015 57.355 56.400 -0.101 0.000 0.801 202 E CB -0.101 29.552 29.700 -0.077 0.000 0.750 202 E HN 0.431 nan 8.360 nan 0.000 0.452 203 A N 1.628 124.304 122.820 -0.241 0.000 1.877 203 A HA -0.250 4.070 4.320 0.000 0.000 0.216 203 A C 1.954 179.023 177.584 -0.859 0.000 1.186 203 A CA 1.641 53.371 52.037 -0.512 0.000 0.620 203 A CB -0.349 18.430 19.000 -0.369 0.000 0.822 203 A HN 0.049 nan 8.150 nan 0.000 0.443 204 K N -0.356 119.812 120.400 -0.387 0.000 2.103 204 K HA -0.088 4.232 4.320 0.000 0.000 0.207 204 K C 2.225 178.760 176.600 -0.108 0.000 1.048 204 K CA 1.149 57.374 56.287 -0.103 0.000 0.930 204 K CB -0.335 32.207 32.500 0.070 0.000 0.716 204 K HN 0.458 nan 8.250 nan 0.000 0.444 205 A N 0.994 123.734 122.820 -0.134 0.000 1.972 205 A HA -0.085 4.236 4.320 0.000 0.000 0.219 205 A C 2.337 179.862 177.584 -0.099 0.000 1.169 205 A CA 1.849 53.838 52.037 -0.079 0.000 0.635 205 A CB -0.938 18.020 19.000 -0.070 0.000 0.810 205 A HN 0.441 nan 8.150 nan 0.000 0.446 206 G N -1.038 107.628 108.800 -0.223 0.000 2.394 206 G HA2 -0.037 3.923 3.960 0.000 0.000 0.215 206 G HA3 -0.037 3.923 3.960 0.000 0.000 0.215 206 G C 1.276 176.138 174.900 -0.063 0.000 1.165 206 G CA 0.961 45.950 45.100 -0.184 0.000 0.784 206 G HN 0.385 nan 8.290 nan 0.000 0.535 207 F N 1.360 121.320 119.950 0.016 0.000 2.069 207 F HA 0.028 4.555 4.527 0.000 0.000 0.298 207 F C 2.849 178.658 175.800 0.016 0.000 1.113 207 F CA 1.055 59.065 58.000 0.016 0.000 1.214 207 F CB -0.816 38.186 39.000 0.003 0.000 0.978 207 F HN 0.006 nan 8.300 nan 0.000 0.474 208 R N 0.192 120.808 120.500 0.194 0.000 2.127 208 R HA -0.123 4.217 4.340 0.000 0.000 0.238 208 R C 2.309 178.654 176.300 0.076 0.000 1.134 208 R CA 1.230 57.395 56.100 0.109 0.000 0.975 208 R CB -0.881 29.461 30.300 0.071 0.000 0.865 208 R HN 0.305 nan 8.270 nan 0.000 0.447 209 A N -0.130 122.726 122.820 0.059 0.000 2.015 209 A HA 0.047 4.367 4.320 0.000 0.000 0.219 209 A C 1.613 179.233 177.584 0.060 0.000 1.163 209 A CA 1.561 53.623 52.037 0.041 0.000 0.646 209 A CB -0.010 19.000 19.000 0.017 0.000 0.806 209 A HN 0.509 nan 8.150 nan 0.000 0.448 210 G N -1.968 106.889 108.800 0.094 0.000 2.559 210 G HA2 -0.030 3.930 3.960 0.000 0.000 0.202 210 G HA3 -0.030 3.930 3.960 0.000 0.000 0.202 210 G C 0.042 175.024 174.900 0.137 0.000 0.992 210 G CA -0.178 44.983 45.100 0.101 0.000 0.764 210 G HN 0.267 nan 8.290 nan 0.000 0.525 211 I N 2.589 123.269 120.570 0.183 0.000 2.556 211 I HA 0.292 4.462 4.170 0.000 0.000 0.284 211 I C 1.644 177.928 176.117 0.278 0.000 1.114 211 I CA 1.227 62.669 61.300 0.236 0.000 1.418 211 I CB 1.378 39.532 38.000 0.257 0.000 1.394 211 I HN 0.240 nan 8.210 nan 0.000 0.552 212 T N 2.493 117.189 114.554 0.237 0.000 3.091 212 T HA 0.286 4.636 4.350 0.000 0.000 0.277 212 T C -0.231 174.638 174.700 0.282 0.000 0.996 212 T CA -0.246 61.977 62.100 0.206 0.000 0.897 212 T CB 0.044 69.023 68.868 0.186 0.000 1.109 212 T HN 0.331 nan 8.240 nan 0.000 0.534 213 F N 1.038 121.059 119.950 0.117 0.000 2.645 213 F HA 0.740 5.267 4.527 0.000 0.000 0.310 213 F C -1.698 174.161 175.800 0.098 0.000 1.102 213 F CA -1.060 56.997 58.000 0.095 0.000 0.952 213 F CB 1.677 40.704 39.000 0.045 0.000 1.326 213 F HN 0.173 nan 8.300 nan 0.000 0.456 214 A N 1.935 124.645 122.820 -0.183 0.000 2.393 214 A HA 0.672 4.992 4.320 0.000 0.000 0.306 214 A C -1.192 176.405 177.584 0.023 0.000 1.050 214 A CA -0.608 51.424 52.037 -0.008 0.000 0.724 214 A CB 1.246 20.195 19.000 -0.084 0.000 1.248 214 A HN 0.630 nan 8.150 nan 0.000 0.424 215 T N 2.776 117.377 114.554 0.079 0.000 2.780 215 T HA 0.468 4.818 4.350 0.000 0.000 0.294 215 T C -0.178 174.341 174.700 -0.301 0.000 0.949 215 T CA 0.523 62.594 62.100 -0.049 0.000 1.074 215 T CB -0.070 68.705 68.868 -0.154 0.000 0.910 215 T HN 1.322 nan 8.240 nan 0.000 0.501 216 H N 0.211 119.372 119.070 0.152 0.000 2.099 216 H HA -0.169 4.387 4.556 0.000 0.000 0.310 216 H C -0.188 175.164 175.328 0.040 0.000 0.858 216 H CA -0.439 55.664 56.048 0.092 0.000 1.024 216 H CB -2.145 27.675 29.762 0.096 0.000 1.578 216 H HN 0.420 nan 8.280 nan 0.000 0.302 217 L N 3.072 124.356 121.223 0.100 0.000 2.628 217 L HA -0.007 4.333 4.340 0.000 0.000 0.292 217 L C 0.835 177.744 176.870 0.065 0.000 1.250 217 L CA 1.380 56.177 54.840 -0.071 0.000 0.892 217 L CB -0.611 41.280 42.059 -0.280 0.000 1.138 217 L HN 0.834 nan 8.230 nan 0.000 0.502 218 Y N 0.262 120.609 120.300 0.079 0.000 3.717 218 Y HA -0.357 4.193 4.550 0.000 0.000 0.389 218 Y C 0.787 176.714 175.900 0.045 0.000 1.263 218 Y CA 1.172 59.306 58.100 0.057 0.000 2.057 218 Y CB -1.404 37.083 38.460 0.045 0.000 0.874 218 Y HN 0.734 nan 8.280 nan 0.000 0.450 219 N N 1.105 119.930 118.700 0.209 0.000 2.455 219 N HA 0.514 5.254 4.740 0.000 0.000 0.280 219 N C 0.419 175.935 175.510 0.010 0.000 1.055 219 N CA 0.326 53.397 53.050 0.035 0.000 0.961 219 N CB 1.325 39.692 38.487 -0.200 0.000 1.121 219 N HN 0.431 nan 8.380 nan 0.000 0.476 220 A N 1.819 124.609 122.820 -0.050 0.000 2.846 220 A HA -0.229 4.091 4.320 0.000 0.000 0.287 220 A C -0.219 177.346 177.584 -0.031 0.000 1.469 220 A CA 1.048 53.036 52.037 -0.082 0.000 0.757 220 A CB -1.882 16.881 19.000 -0.395 0.000 1.033 220 A HN 0.664 nan 8.150 nan 0.000 0.516 221 M N -1.706 117.895 119.600 0.003 0.000 2.667 221 M HA 0.543 5.023 4.480 0.000 0.000 0.286 221 M C -2.792 173.490 176.300 -0.031 0.000 1.270 221 M CA -2.304 52.997 55.300 0.002 0.000 0.826 221 M CB 1.757 34.378 32.600 0.034 0.000 1.743 221 M HN 0.034 nan 8.290 nan 0.000 0.460 222 P HA 0.112 nan 4.420 nan 0.000 0.272 222 P C -1.392 175.884 177.300 -0.040 0.000 1.223 222 P CA -0.127 62.874 63.100 -0.165 0.000 0.784 222 P CB 0.084 31.713 31.700 -0.119 0.000 0.923 223 Y N 0.042 120.371 120.300 0.047 0.000 2.299 223 Y HA 0.413 4.964 4.550 0.000 0.000 0.335 223 Y C 0.302 176.235 175.900 0.054 0.000 1.287 223 Y CA -1.623 56.510 58.100 0.055 0.000 1.424 223 Y CB -0.710 37.769 38.460 0.033 0.000 1.326 223 Y HN 0.142 nan 8.280 nan 0.000 0.567 224 I N 2.394 123.154 120.570 0.317 0.000 2.342 224 I HA 0.322 4.492 4.170 0.000 0.000 0.291 224 I C 0.281 176.471 176.117 0.122 0.000 1.010 224 I CA -0.395 61.026 61.300 0.202 0.000 1.308 224 I CB 1.217 39.309 38.000 0.154 0.000 1.400 224 I HN 0.867 nan 8.210 nan 0.000 0.488 225 T N 1.215 115.836 114.554 0.112 0.000 2.930 225 T HA 0.430 4.780 4.350 0.000 0.000 0.290 225 T C 1.126 175.848 174.700 0.037 0.000 1.052 225 T CA -0.336 61.786 62.100 0.036 0.000 1.017 225 T CB 1.785 70.678 68.868 0.042 0.000 1.137 225 T HN 0.656 nan 8.240 nan 0.000 0.511 226 G N 0.959 109.767 108.800 0.014 0.000 2.440 226 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 226 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 226 G C 1.555 176.469 174.900 0.023 0.000 1.154 226 G CA 0.268 45.378 45.100 0.016 0.000 0.767 226 G HN 0.673 nan 8.290 nan 0.000 0.552 227 R N 0.168 120.684 120.500 0.026 0.000 2.100 227 R HA 0.090 4.430 4.340 0.000 0.000 0.220 227 R C 0.379 176.702 176.300 0.038 0.000 1.091 227 R CA 0.555 56.672 56.100 0.028 0.000 0.986 227 R CB -0.175 30.141 30.300 0.027 0.000 0.888 227 R HN 0.396 nan 8.270 nan 0.000 0.444 228 E N 0.695 120.927 120.200 0.053 0.000 2.186 228 E HA 0.270 4.621 4.350 0.000 0.000 0.255 228 E C -2.244 174.402 176.600 0.076 0.000 0.881 228 E CA -2.578 53.858 56.400 0.061 0.000 0.752 228 E CB 1.816 31.559 29.700 0.072 0.000 1.176 228 E HN -0.188 nan 8.360 nan 0.000 0.421 229 P HA 0.071 nan 4.420 nan 0.000 0.219 229 P C 0.165 177.510 177.300 0.074 0.000 1.150 229 P CA 1.226 64.367 63.100 0.068 0.000 0.814 229 P CB 0.133 31.866 31.700 0.054 0.000 0.787 230 G N -0.817 108.017 108.800 0.056 0.000 2.750 230 G HA2 -0.280 3.680 3.960 0.000 0.000 0.228 230 G HA3 -0.280 3.680 3.960 0.000 0.000 0.228 230 G C 0.393 175.311 174.900 0.029 0.000 1.367 230 G CA -0.194 44.929 45.100 0.038 0.000 0.871 230 G HN 0.322 nan 8.290 nan 0.000 0.560 231 L N 0.402 121.631 121.223 0.010 0.000 2.012 231 L HA 0.172 4.512 4.340 0.000 0.000 0.210 231 L C 3.230 180.118 176.870 0.031 0.000 1.073 231 L CA 3.468 58.313 54.840 0.009 0.000 0.748 231 L CB -1.197 40.856 42.059 -0.009 0.000 0.891 231 L HN 1.614 nan 8.230 nan 0.000 0.431 232 A N -0.449 122.381 122.820 0.016 0.000 1.865 232 A HA -0.132 4.188 4.320 0.000 0.000 0.217 232 A C 2.378 179.951 177.584 -0.018 0.000 1.191 232 A CA 1.875 53.893 52.037 -0.031 0.000 0.623 232 A CB -1.712 17.301 19.000 0.021 0.000 0.826 232 A HN 0.544 nan 8.150 nan 0.000 0.444 233 G N -0.675 108.148 108.800 0.037 0.000 2.440 233 G HA2 -0.024 3.936 3.960 0.000 0.000 0.218 233 G HA3 -0.024 3.936 3.960 0.000 0.000 0.218 233 G C 1.770 176.693 174.900 0.039 0.000 1.154 233 G CA 1.674 46.799 45.100 0.041 0.000 0.767 233 G HN 0.862 nan 8.290 nan 0.000 0.552 234 A N 0.915 123.779 122.820 0.073 0.000 1.883 234 A HA -0.041 4.279 4.320 0.000 0.000 0.217 234 A C 2.419 180.086 177.584 0.137 0.000 1.186 234 A CA 1.535 53.658 52.037 0.144 0.000 0.624 234 A CB -0.438 18.687 19.000 0.208 0.000 0.822 234 A HN 0.389 nan 8.150 nan 0.000 0.444 235 I N -0.323 120.315 120.570 0.114 0.000 2.163 235 I HA -0.279 3.891 4.170 0.000 0.000 0.243 235 I C 2.361 178.406 176.117 -0.120 0.000 1.085 235 I CA 1.226 62.517 61.300 -0.015 0.000 1.347 235 I CB -0.374 37.596 38.000 -0.049 0.000 1.044 235 I HN 0.291 nan 8.210 nan 0.000 0.408 236 L N 0.204 121.370 121.223 -0.095 0.000 2.127 236 L HA -0.245 4.095 4.340 0.000 0.000 0.211 236 L C 1.918 178.738 176.870 -0.084 0.000 1.089 236 L CA 1.475 56.257 54.840 -0.097 0.000 0.757 236 L CB -0.536 41.488 42.059 -0.059 0.000 0.899 236 L HN 0.303 nan 8.230 nan 0.000 0.434 237 D N -0.518 119.846 120.400 -0.059 0.000 2.349 237 D HA -0.090 4.550 4.640 0.000 0.000 0.215 237 D C 0.616 176.859 176.300 -0.095 0.000 1.016 237 D CA 0.130 54.098 54.000 -0.054 0.000 0.870 237 D CB 0.331 41.124 40.800 -0.012 0.000 0.917 237 D HN 0.040 nan 8.370 nan 0.000 0.524 238 E N -0.458 119.643 120.200 -0.164 0.000 2.035 238 E HA 0.469 4.819 4.350 0.000 0.000 0.271 238 E C 0.798 177.226 176.600 -0.287 0.000 0.953 238 E CA -0.271 55.969 56.400 -0.266 0.000 0.777 238 E CB 0.862 30.244 29.700 -0.529 0.000 1.104 238 E HN 0.116 nan 8.360 nan 0.000 0.408 239 A N 4.514 127.202 122.820 -0.221 0.000 1.917 239 A HA -0.216 4.105 4.320 0.000 0.000 0.219 239 A C 1.428 178.841 177.584 -0.284 0.000 1.182 239 A CA 1.892 53.795 52.037 -0.223 0.000 0.633 239 A CB -0.267 18.637 19.000 -0.161 0.000 0.819 239 A HN 0.661 nan 8.150 nan 0.000 0.448 240 D N -0.425 119.813 120.400 -0.270 0.000 2.347 240 D HA 0.043 4.683 4.640 0.000 0.000 0.215 240 D C 0.291 176.400 176.300 -0.318 0.000 0.976 240 D CA 0.286 54.127 54.000 -0.265 0.000 0.884 240 D CB -0.056 40.645 40.800 -0.165 0.000 0.915 240 D HN 0.252 nan 8.370 nan 0.000 0.526 241 I N 1.749 122.084 120.570 -0.392 0.000 2.396 241 I HA 0.039 4.209 4.170 0.000 0.000 0.289 241 I C 0.336 176.232 176.117 -0.369 0.000 1.056 241 I CA -0.523 60.560 61.300 -0.361 0.000 1.365 241 I CB -0.501 37.180 38.000 -0.530 0.000 1.407 241 I HN -0.161 nan 8.210 nan 0.000 0.509 242 Y N 5.285 125.435 120.300 -0.250 0.000 2.307 242 Y HA 0.418 4.968 4.550 0.000 0.000 0.324 242 Y C 0.718 176.111 175.900 -0.845 0.000 1.238 242 Y CA -0.023 57.873 58.100 -0.341 0.000 1.280 242 Y CB 1.387 39.816 38.460 -0.050 0.000 1.248 242 Y HN 0.744 nan 8.280 nan 0.000 0.508 243 C N 0.006 118.881 119.300 -0.708 0.000 3.171 243 C HA 0.873 5.333 4.460 0.000 0.000 0.336 243 C C 0.022 174.740 174.990 -0.454 0.000 1.198 243 C CA -0.902 57.520 59.018 -0.993 0.000 1.319 243 C CB 0.879 28.315 27.740 -0.507 0.000 1.682 243 C HN 1.096 nan 8.230 nan 0.000 0.497 244 G N 0.615 109.290 108.800 -0.208 0.000 2.451 244 G HA2 0.730 4.691 3.960 0.000 0.000 0.303 244 G HA3 0.730 4.691 3.960 0.000 0.000 0.303 244 G C -1.321 173.635 174.900 0.092 0.000 1.166 244 G CA -0.669 44.513 45.100 0.137 0.000 0.884 244 G HN 1.299 nan 8.290 nan 0.000 0.514 245 I N 0.293 120.935 120.570 0.120 0.000 2.644 245 I HA 0.367 4.538 4.170 0.000 0.000 0.291 245 I C -0.787 175.398 176.117 0.115 0.000 1.180 245 I CA -1.039 60.338 61.300 0.128 0.000 1.040 245 I CB 1.971 40.042 38.000 0.119 0.000 1.255 245 I HN 0.333 nan 8.210 nan 0.000 0.422 246 I N 7.357 127.990 120.570 0.104 0.000 2.379 246 I HA 0.287 4.457 4.170 0.000 0.000 0.290 246 I C 0.684 176.830 176.117 0.048 0.000 1.063 246 I CA 0.014 61.332 61.300 0.030 0.000 1.351 246 I CB 1.334 39.282 38.000 -0.087 0.000 1.410 246 I HN 0.659 nan 8.210 nan 0.000 0.505 247 A N 5.109 127.958 122.820 0.048 0.000 3.290 247 A HA 0.230 4.551 4.320 0.000 0.000 0.297 247 A C 0.602 178.251 177.584 0.109 0.000 1.285 247 A CA -0.545 51.555 52.037 0.105 0.000 1.060 247 A CB -0.551 18.518 19.000 0.115 0.000 1.114 247 A HN 0.789 nan 8.150 nan 0.000 0.601 248 D N -0.938 119.490 120.400 0.045 0.000 2.389 248 D HA 0.196 4.836 4.640 0.000 0.000 0.206 248 D C 1.143 177.425 176.300 -0.030 0.000 1.055 248 D CA 0.702 54.730 54.000 0.045 0.000 0.856 248 D CB -0.206 40.620 40.800 0.044 0.000 0.957 248 D HN 0.860 nan 8.370 nan 0.000 0.509 249 G N 0.396 109.036 108.800 -0.267 0.000 2.136 249 G HA2 -0.267 3.693 3.960 0.000 0.000 0.242 249 G HA3 -0.267 3.693 3.960 0.000 0.000 0.242 249 G C 0.637 175.293 174.900 -0.407 0.000 0.989 249 G CA 0.740 45.358 45.100 -0.802 0.000 0.682 249 G HN 0.438 nan 8.290 nan 0.000 0.522 250 L N -2.788 118.328 121.223 -0.180 0.000 2.713 250 L HA 0.332 4.672 4.340 0.000 0.000 0.223 250 L C 2.076 178.863 176.870 -0.138 0.000 1.040 250 L CA 0.396 55.158 54.840 -0.130 0.000 0.894 250 L CB -0.226 41.801 42.059 -0.053 0.000 1.361 250 L HN 0.096 nan 8.230 nan 0.000 0.490 251 H N 0.014 119.012 119.070 -0.120 0.000 2.470 251 H HA 0.196 4.752 4.556 0.000 0.000 0.289 251 H C -0.233 175.039 175.328 -0.094 0.000 1.033 251 H CA 0.707 56.702 56.048 -0.089 0.000 1.331 251 H CB 0.455 30.180 29.762 -0.062 0.000 1.414 251 H HN -0.068 nan 8.280 nan 0.000 0.545 252 V N 0.569 120.474 119.914 -0.016 0.000 2.668 252 V HA 0.077 4.197 4.120 0.000 0.000 0.304 252 V C -0.738 175.227 176.094 -0.214 0.000 1.071 252 V CA -1.340 60.906 62.300 -0.090 0.000 0.894 252 V CB 2.177 34.016 31.823 0.025 0.000 1.008 252 V HN 0.163 nan 8.190 nan 0.000 0.425 253 D N 2.154 122.414 120.400 -0.234 0.000 2.443 253 D HA 0.090 4.730 4.640 0.000 0.000 0.239 253 D C 0.610 176.813 176.300 -0.161 0.000 1.136 253 D CA 0.277 54.131 54.000 -0.243 0.000 0.879 253 D CB 0.636 41.334 40.800 -0.170 0.000 1.195 253 D HN 0.494 nan 8.370 nan 0.000 0.443 254 Y N 2.545 122.819 120.300 -0.043 0.000 2.241 254 Y HA -0.177 4.373 4.550 0.000 0.000 0.286 254 Y C 2.305 178.199 175.900 -0.009 0.000 1.166 254 Y CA 1.133 59.227 58.100 -0.010 0.000 1.203 254 Y CB -0.817 37.646 38.460 0.006 0.000 0.977 254 Y HN 0.558 nan 8.280 nan 0.000 0.529 255 A N 0.185 123.072 122.820 0.112 0.000 1.933 255 A HA -0.195 4.125 4.320 0.000 0.000 0.218 255 A C 2.141 179.739 177.584 0.025 0.000 1.175 255 A CA 1.784 53.855 52.037 0.056 0.000 0.628 255 A CB -0.557 18.453 19.000 0.016 0.000 0.814 255 A HN 0.416 nan 8.150 nan 0.000 0.444 256 N N -0.009 118.659 118.700 -0.054 0.000 2.270 256 N HA -0.016 4.724 4.740 0.000 0.000 0.181 256 N C 1.589 177.171 175.510 0.119 0.000 1.016 256 N CA 1.109 54.086 53.050 -0.123 0.000 0.870 256 N CB -0.302 37.798 38.487 -0.644 0.000 0.979 256 N HN 0.565 nan 8.380 nan 0.000 0.431 257 I N 0.893 121.545 120.570 0.136 0.000 2.353 257 I HA -0.165 4.005 4.170 0.000 0.000 0.248 257 I C 2.240 178.450 176.117 0.154 0.000 1.119 257 I CA 0.766 62.186 61.300 0.200 0.000 1.417 257 I CB -0.069 38.059 38.000 0.214 0.000 1.078 257 I HN 0.062 nan 8.210 nan 0.000 0.421 258 R N 0.667 121.242 120.500 0.125 0.000 2.075 258 R HA -0.112 4.228 4.340 0.000 0.000 0.232 258 R C 2.109 178.459 176.300 0.084 0.000 1.126 258 R CA 1.277 57.431 56.100 0.089 0.000 0.963 258 R CB -0.401 29.942 30.300 0.072 0.000 0.858 258 R HN 0.393 nan 8.270 nan 0.000 0.435 259 N N 0.997 119.754 118.700 0.095 0.000 2.120 259 N HA -0.140 4.600 4.740 0.000 0.000 0.188 259 N C 1.727 177.297 175.510 0.100 0.000 1.024 259 N CA 1.557 54.663 53.050 0.093 0.000 0.852 259 N CB -0.361 38.190 38.487 0.108 0.000 1.003 259 N HN 0.211 nan 8.380 nan 0.000 0.424 260 A N 1.155 124.067 122.820 0.152 0.000 1.902 260 A HA -0.174 4.146 4.320 0.000 0.000 0.217 260 A C 2.234 179.839 177.584 0.036 0.000 1.181 260 A CA 1.790 53.886 52.037 0.098 0.000 0.623 260 A CB -0.451 18.637 19.000 0.147 0.000 0.818 260 A HN 0.195 nan 8.150 nan 0.000 0.443 261 K N 0.111 120.545 120.400 0.057 0.000 2.057 261 K HA -0.090 4.230 4.320 0.000 0.000 0.207 261 K C 2.071 178.680 176.600 0.014 0.000 1.049 261 K CA 1.713 58.022 56.287 0.036 0.000 0.931 261 K CB -0.329 32.206 32.500 0.058 0.000 0.714 261 K HN 0.468 nan 8.250 nan 0.000 0.440 262 R N -0.230 120.284 120.500 0.024 0.000 2.120 262 R HA -0.033 4.308 4.340 0.000 0.000 0.234 262 R C 2.211 178.506 176.300 -0.009 0.000 1.123 262 R CA 1.459 57.566 56.100 0.012 0.000 0.975 262 R CB -0.256 30.057 30.300 0.021 0.000 0.866 262 R HN 0.197 nan 8.270 nan 0.000 0.446 263 L N -0.012 121.202 121.223 -0.014 0.000 2.202 263 L HA -0.025 4.316 4.340 0.000 0.000 0.205 263 L C 1.891 178.712 176.870 -0.081 0.000 1.083 263 L CA 0.747 55.564 54.840 -0.039 0.000 0.790 263 L CB -0.071 41.971 42.059 -0.029 0.000 0.942 263 L HN -0.030 nan 8.230 nan 0.000 0.452 264 K N 0.300 120.644 120.400 -0.094 0.000 2.361 264 K HA 0.173 4.493 4.320 0.000 0.000 0.196 264 K C 1.324 177.814 176.600 -0.184 0.000 1.039 264 K CA 0.763 56.956 56.287 -0.156 0.000 1.001 264 K CB -0.083 32.320 32.500 -0.161 0.000 0.795 264 K HN 0.296 nan 8.250 nan 0.000 0.495 265 G N 2.937 111.664 108.800 -0.122 0.000 2.629 265 G HA2 -0.394 3.566 3.960 0.000 0.000 0.313 265 G HA3 -0.394 3.566 3.960 0.000 0.000 0.313 265 G C 0.267 175.039 174.900 -0.213 0.000 1.217 265 G CA 0.910 45.936 45.100 -0.124 0.000 0.994 265 G HN 0.430 nan 8.290 nan 0.000 0.549 266 D N 0.592 120.776 120.400 -0.360 0.000 2.325 266 D HA 0.240 4.880 4.640 0.000 0.000 0.234 266 D C 1.420 177.081 176.300 -1.064 0.000 1.122 266 D CA 0.585 54.055 54.000 -0.884 0.000 0.850 266 D CB 0.327 40.801 40.800 -0.543 0.000 0.921 266 D HN 0.369 nan 8.370 nan 0.000 0.513 267 K N -0.204 119.811 120.400 -0.641 0.000 2.358 267 K HA 0.172 4.493 4.320 0.000 0.000 0.200 267 K C 0.090 176.563 176.600 -0.212 0.000 1.030 267 K CA -0.497 55.427 56.287 -0.606 0.000 1.097 267 K CB 0.795 32.854 32.500 -0.735 0.000 0.862 267 K HN 0.184 nan 8.250 nan 0.000 0.534 268 L N 1.776 122.914 121.223 -0.141 0.000 2.265 268 L HA 0.195 4.535 4.340 0.000 0.000 0.288 268 L C -0.736 176.238 176.870 0.174 0.000 1.058 268 L CA -0.242 54.600 54.840 0.004 0.000 0.809 268 L CB 0.413 42.478 42.059 0.010 0.000 1.179 268 L HN 0.050 nan 8.230 nan 0.000 0.429 269 C N 5.009 124.412 119.300 0.170 0.000 2.391 269 C HA 0.444 4.904 4.460 0.000 0.000 0.339 269 C C 0.196 175.279 174.990 0.155 0.000 1.205 269 C CA -1.380 57.774 59.018 0.227 0.000 1.937 269 C CB 1.213 29.131 27.740 0.296 0.000 2.341 269 C HN 0.751 nan 8.230 nan 0.000 0.516 270 L N 4.166 125.458 121.223 0.114 0.000 2.290 270 L HA 0.670 5.010 4.340 0.000 0.000 0.284 270 L C -0.338 176.572 176.870 0.067 0.000 1.078 270 L CA 0.140 55.013 54.840 0.055 0.000 0.815 270 L CB 0.671 42.711 42.059 -0.032 0.000 1.162 270 L HN 0.761 nan 8.230 nan 0.000 0.435 271 V N 1.036 120.994 119.914 0.074 0.000 3.040 271 V HA 0.542 4.662 4.120 0.000 0.000 0.312 271 V C 0.452 176.571 176.094 0.042 0.000 1.115 271 V CA 0.033 62.383 62.300 0.083 0.000 0.998 271 V CB 1.489 33.396 31.823 0.141 0.000 1.042 271 V HN 0.801 nan 8.190 nan 0.000 0.433 272 T N -2.909 111.664 114.554 0.033 0.000 3.034 272 T HA 0.111 4.461 4.350 0.000 0.000 0.248 272 T C 0.931 175.616 174.700 -0.024 0.000 1.040 272 T CA 1.161 63.257 62.100 -0.007 0.000 1.107 272 T CB -0.364 68.499 68.868 -0.009 0.000 0.932 272 T HN 1.346 nan 8.240 nan 0.000 0.474 273 D N 1.629 122.049 120.400 0.033 0.000 2.882 273 D HA -0.166 4.474 4.640 0.000 0.000 0.229 273 D C 0.315 176.615 176.300 -0.000 0.000 1.167 273 D CA 0.626 54.656 54.000 0.050 0.000 0.759 273 D CB -1.459 39.370 40.800 0.048 0.000 1.088 273 D HN 0.938 nan 8.370 nan 0.000 0.425 274 A N -0.588 122.228 122.820 -0.006 0.000 2.409 274 A HA 0.544 4.864 4.320 0.000 0.000 0.246 274 A C 1.077 178.660 177.584 -0.001 0.000 1.099 274 A CA 0.717 52.745 52.037 -0.015 0.000 0.789 274 A CB 0.423 19.410 19.000 -0.022 0.000 1.053 274 A HN 0.652 nan 8.150 nan 0.000 0.503 275 T N -3.457 111.096 114.554 -0.003 0.000 2.858 275 T HA 0.626 4.976 4.350 0.000 0.000 0.285 275 T C 1.244 175.940 174.700 -0.006 0.000 1.052 275 T CA 0.024 62.124 62.100 0.001 0.000 1.009 275 T CB 0.977 69.849 68.868 0.007 0.000 1.241 275 T HN 1.701 nan 8.240 nan 0.000 0.542 276 A N 0.721 123.539 122.820 -0.003 0.000 1.944 276 A HA -0.107 4.214 4.320 0.000 0.000 0.222 276 A C -0.304 177.275 177.584 -0.008 0.000 1.237 276 A CA 2.452 54.486 52.037 -0.006 0.000 0.668 276 A CB -2.406 16.593 19.000 -0.002 0.000 0.830 276 A HN 0.761 nan 8.150 nan 0.000 0.471 277 P HA -0.087 nan 4.420 nan 0.000 0.218 277 P C 1.709 179.006 177.300 -0.005 0.000 1.148 277 P CA 1.655 64.754 63.100 -0.002 0.000 0.822 277 P CB -0.189 31.512 31.700 0.003 0.000 0.784 278 A N 0.332 123.146 122.820 -0.009 0.000 1.870 278 A HA -0.263 4.057 4.320 0.000 0.000 0.219 278 A C 2.509 180.084 177.584 -0.015 0.000 1.286 278 A CA 2.756 54.785 52.037 -0.013 0.000 0.682 278 A CB -1.984 17.002 19.000 -0.024 0.000 0.844 278 A HN 0.280 nan 8.150 nan 0.000 0.460 279 G N -0.622 108.163 108.800 -0.025 0.000 2.480 279 G HA2 0.178 4.138 3.960 0.000 0.000 0.216 279 G HA3 0.178 4.138 3.960 0.000 0.000 0.216 279 G C 1.162 176.055 174.900 -0.011 0.000 1.200 279 G CA 1.808 46.894 45.100 -0.023 0.000 0.782 279 G HN 1.183 nan 8.290 nan 0.000 0.554 309 S N -0.256 115.497 115.700 0.088 0.000 2.526 309 S HA 0.598 5.068 4.470 0.000 0.000 0.293 309 S C 0.414 175.020 174.600 0.009 0.000 1.092 309 S CA 0.621 58.835 58.200 0.023 0.000 0.980 309 S CB 1.735 64.810 63.200 -0.207 0.000 1.048 309 S HN 1.485 nan 8.310 nan 0.000 0.483 310 S N 4.527 120.236 115.700 0.016 0.000 2.749 310 S HA 0.295 4.766 4.470 0.000 0.000 0.246 310 S C 0.279 174.878 174.600 -0.003 0.000 1.023 310 S CA -0.524 57.679 58.200 0.006 0.000 1.012 310 S CB -0.018 63.191 63.200 0.014 0.000 0.942 310 S HN 0.673 nan 8.310 nan 0.000 0.531 311 L N 4.123 125.338 121.223 -0.013 0.000 2.461 311 L HA 0.439 4.779 4.340 0.000 0.000 0.272 311 L C 0.167 177.024 176.870 -0.022 0.000 1.197 311 L CA 0.897 55.727 54.840 -0.018 0.000 0.836 311 L CB 1.018 43.059 42.059 -0.030 0.000 1.105 311 L HN 0.562 nan 8.230 nan 0.000 0.477 312 T N 1.691 116.232 114.554 -0.021 0.000 2.942 312 T HA 0.343 4.693 4.350 0.000 0.000 0.289 312 T C 1.213 175.895 174.700 -0.030 0.000 1.044 312 T CA -0.919 61.173 62.100 -0.013 0.000 1.023 312 T CB 1.431 70.301 68.868 0.003 0.000 1.123 312 T HN 0.532 nan 8.240 nan 0.000 0.512 313 M N 0.647 120.243 119.600 -0.006 0.000 2.159 313 M HA 0.042 4.522 4.480 0.000 0.000 0.263 313 M C 2.081 178.250 176.300 -0.218 0.000 1.063 313 M CA 1.121 56.368 55.300 -0.089 0.000 1.110 313 M CB -1.404 31.203 32.600 0.013 0.000 1.374 313 M HN 0.754 nan 8.290 nan 0.000 0.411 314 I N 0.847 121.399 120.570 -0.030 0.000 2.394 314 I HA -0.198 3.972 4.170 0.000 0.000 0.251 314 I C 2.050 178.043 176.117 -0.206 0.000 1.136 314 I CA 1.638 62.900 61.300 -0.062 0.000 1.425 314 I CB -0.257 37.813 38.000 0.116 0.000 1.079 314 I HN 0.311 nan 8.210 nan 0.000 0.425 315 E N 0.068 120.186 120.200 -0.137 0.000 2.106 315 E HA -0.118 4.232 4.350 0.000 0.000 0.192 315 E C 2.214 178.696 176.600 -0.196 0.000 0.984 315 E CA 0.963 57.273 56.400 -0.150 0.000 0.806 315 E CB -0.497 29.164 29.700 -0.064 0.000 0.750 315 E HN 0.655 nan 8.360 nan 0.000 0.458 316 G N 0.851 109.544 108.800 -0.178 0.000 2.422 316 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 316 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 316 G C 1.716 176.463 174.900 -0.254 0.000 1.146 316 G CA 0.517 45.521 45.100 -0.160 0.000 0.769 316 G HN 0.106 nan 8.290 nan 0.000 0.547 317 V N 0.558 120.236 119.914 -0.393 0.000 2.358 317 V HA -0.127 3.993 4.120 0.000 0.000 0.246 317 V C 2.787 178.522 176.094 -0.599 0.000 1.047 317 V CA 2.026 64.047 62.300 -0.466 0.000 1.035 317 V CB -0.405 31.074 31.823 -0.572 0.000 0.658 317 V HN 0.399 nan 8.190 nan 0.000 0.452 318 R N 0.289 120.272 120.500 -0.862 0.000 2.081 318 R HA -0.170 4.170 4.340 0.000 0.000 0.235 318 R C 2.196 178.122 176.300 -0.623 0.000 1.131 318 R CA 1.884 57.236 56.100 -1.247 0.000 0.960 318 R CB -0.295 29.346 30.300 -1.098 0.000 0.856 318 R HN 0.512 nan 8.270 nan 0.000 0.436 319 N N 0.963 119.452 118.700 -0.352 0.000 2.120 319 N HA -0.159 4.581 4.740 0.000 0.000 0.188 319 N C 1.940 177.300 175.510 -0.250 0.000 1.024 319 N CA 1.211 54.160 53.050 -0.169 0.000 0.852 319 N CB -0.323 38.216 38.487 0.087 0.000 1.003 319 N HN 0.249 nan 8.380 nan 0.000 0.424 320 L N 0.288 121.392 121.223 -0.199 0.000 2.046 320 L HA -0.130 4.210 4.340 0.000 0.000 0.208 320 L C 2.238 179.001 176.870 -0.179 0.000 1.077 320 L CA 0.813 55.565 54.840 -0.148 0.000 0.747 320 L CB -0.451 41.547 42.059 -0.103 0.000 0.896 320 L HN -0.018 nan 8.230 nan 0.000 0.432 321 V N -0.335 119.450 119.914 -0.215 0.000 2.307 321 V HA -0.235 3.885 4.120 0.000 0.000 0.245 321 V C 2.358 178.335 176.094 -0.195 0.000 1.045 321 V CA 1.779 63.996 62.300 -0.139 0.000 1.024 321 V CB -0.435 31.368 31.823 -0.033 0.000 0.651 321 V HN 0.452 nan 8.190 nan 0.000 0.449 322 E N -0.806 119.185 120.200 -0.348 0.000 2.107 322 E HA -0.131 4.219 4.350 0.000 0.000 0.191 322 E C 1.833 178.053 176.600 -0.632 0.000 0.982 322 E CA 1.125 57.224 56.400 -0.502 0.000 0.809 322 E CB -0.060 29.216 29.700 -0.708 0.000 0.756 322 E HN 0.706 nan 8.360 nan 0.000 0.459 323 H N -1.760 117.088 119.070 -0.370 0.000 2.827 323 H HA 0.225 4.781 4.556 0.000 0.000 0.269 323 H C 1.095 176.170 175.328 -0.421 0.000 1.031 323 H CA 0.010 55.750 56.048 -0.513 0.000 1.202 323 H CB 0.445 29.535 29.762 -1.121 0.000 1.511 323 H HN 0.141 nan 8.280 nan 0.000 0.517 324 C N 0.265 119.435 119.300 -0.215 0.000 3.183 324 C HA 0.348 4.808 4.460 0.000 0.000 0.285 324 C C 1.713 176.680 174.990 -0.039 0.000 1.313 324 C CA 0.349 59.316 59.018 -0.086 0.000 1.711 324 C CB -0.425 27.291 27.740 -0.039 0.000 2.135 324 C HN 0.766 nan 8.230 nan 0.000 0.651 325 G N 2.015 110.782 108.800 -0.056 0.000 2.283 325 G HA2 -0.267 3.693 3.960 0.000 0.000 0.280 325 G HA3 -0.267 3.693 3.960 0.000 0.000 0.280 325 G C -0.182 174.713 174.900 -0.007 0.000 1.029 325 G CA 0.223 45.308 45.100 -0.025 0.000 0.840 325 G HN 0.627 nan 8.290 nan 0.000 0.505 326 I N 0.693 121.255 120.570 -0.014 0.000 2.354 326 I HA 0.576 4.746 4.170 0.000 0.000 0.292 326 I C 0.977 177.100 176.117 0.010 0.000 0.989 326 I CA -0.751 60.553 61.300 0.007 0.000 1.188 326 I CB 1.718 39.723 38.000 0.008 0.000 1.342 326 I HN 0.287 nan 8.210 nan 0.000 0.457 327 A N 5.015 127.853 122.820 0.029 0.000 2.520 327 A HA 0.047 4.367 4.320 0.000 0.000 0.235 327 A C 1.025 178.633 177.584 0.039 0.000 1.065 327 A CA -0.195 51.868 52.037 0.044 0.000 0.764 327 A CB 0.255 19.294 19.000 0.065 0.000 1.002 327 A HN 0.841 nan 8.150 nan 0.000 0.502 328 L N 1.259 122.525 121.223 0.072 0.000 2.079 328 L HA -0.184 4.156 4.340 0.000 0.000 0.210 328 L C 2.105 178.949 176.870 -0.042 0.000 1.081 328 L CA 2.941 57.834 54.840 0.088 0.000 0.752 328 L CB -0.667 41.502 42.059 0.184 0.000 0.896 328 L HN 0.893 nan 8.230 nan 0.000 0.433 329 D N -1.299 119.069 120.400 -0.053 0.000 2.178 329 D HA -0.261 4.379 4.640 0.000 0.000 0.202 329 D C 1.913 178.044 176.300 -0.282 0.000 0.974 329 D CA 1.354 55.073 54.000 -0.469 0.000 0.841 329 D CB -0.308 40.385 40.800 -0.179 0.000 0.953 329 D HN 0.515 nan 8.370 nan 0.000 0.478 330 E N 0.756 120.912 120.200 -0.073 0.000 2.107 330 E HA -0.065 4.285 4.350 0.000 0.000 0.191 330 E C 2.156 178.720 176.600 -0.060 0.000 0.982 330 E CA 0.616 57.008 56.400 -0.012 0.000 0.809 330 E CB -0.224 29.515 29.700 0.065 0.000 0.756 330 E HN 0.119 nan 8.360 nan 0.000 0.459 331 V N 0.608 120.480 119.914 -0.070 0.000 2.295 331 V HA -0.241 3.880 4.120 0.000 0.000 0.246 331 V C 2.249 178.256 176.094 -0.144 0.000 1.049 331 V CA 1.400 63.648 62.300 -0.087 0.000 1.024 331 V CB -0.509 31.260 31.823 -0.091 0.000 0.648 331 V HN 0.287 nan 8.190 nan 0.000 0.447 332 L N -0.196 120.918 121.223 -0.181 0.000 2.042 332 L HA -0.166 4.174 4.340 0.000 0.000 0.210 332 L C 2.561 179.383 176.870 -0.079 0.000 1.076 332 L CA 1.861 56.622 54.840 -0.132 0.000 0.749 332 L CB -1.062 40.782 42.059 -0.358 0.000 0.893 332 L HN 0.271 nan 8.230 nan 0.000 0.432 333 R N -1.448 118.942 120.500 -0.183 0.000 2.096 333 R HA -0.141 4.199 4.340 0.000 0.000 0.235 333 R C 2.210 178.137 176.300 -0.622 0.000 1.127 333 R CA 1.436 57.260 56.100 -0.459 0.000 0.968 333 R CB -0.335 29.496 30.300 -0.781 0.000 0.861 333 R HN 0.332 nan 8.270 nan 0.000 0.440 334 M N -0.450 118.950 119.600 -0.333 0.000 2.279 334 M HA -0.090 4.390 4.480 0.000 0.000 0.264 334 M C 1.907 178.209 176.300 0.003 0.000 1.062 334 M CA 1.404 56.705 55.300 0.001 0.000 1.099 334 M CB 0.084 32.733 32.600 0.081 0.000 1.394 334 M HN 0.194 nan 8.290 nan 0.000 0.426 335 A N -0.743 122.030 122.820 -0.078 0.000 2.348 335 A HA 0.115 4.435 4.320 0.000 0.000 0.224 335 A C 1.654 179.286 177.584 0.080 0.000 1.227 335 A CA 0.921 52.917 52.037 -0.069 0.000 0.885 335 A CB -0.287 18.495 19.000 -0.363 0.000 0.933 335 A HN 0.514 nan 8.150 nan 0.000 0.506 336 T N -4.093 110.496 114.554 0.060 0.000 3.422 336 T HA 0.106 4.456 4.350 0.000 0.000 0.179 336 T C 1.491 176.209 174.700 0.031 0.000 0.946 336 T CA 0.584 62.741 62.100 0.094 0.000 1.025 336 T CB -0.831 68.124 68.868 0.145 0.000 1.298 336 T HN 0.141 nan 8.240 nan 0.000 0.312 337 L N 0.938 122.133 121.223 -0.047 0.000 2.013 337 L HA 0.004 4.344 4.340 0.000 0.000 0.212 337 L C 2.436 179.389 176.870 0.138 0.000 1.073 337 L CA 2.051 56.872 54.840 -0.031 0.000 0.753 337 L CB -1.249 40.720 42.059 -0.151 0.000 0.890 337 L HN 0.432 nan 8.230 nan 0.000 0.432 338 Y N 0.371 120.723 120.300 0.087 0.000 2.163 338 Y HA -0.034 4.516 4.550 0.000 0.000 0.288 338 Y C -0.177 175.737 175.900 0.024 0.000 1.136 338 Y CA 0.690 58.869 58.100 0.131 0.000 1.147 338 Y CB -2.784 35.795 38.460 0.198 0.000 0.987 338 Y HN 0.324 nan 8.280 nan 0.000 0.509 339 P HA -0.086 nan 4.420 nan 0.000 0.219 339 P C 1.343 178.632 177.300 -0.018 0.000 1.150 339 P CA 1.960 65.113 63.100 0.088 0.000 0.814 339 P CB -0.021 31.739 31.700 0.101 0.000 0.787 340 A N 1.229 124.055 122.820 0.010 0.000 1.877 340 A HA -0.182 4.138 4.320 0.000 0.000 0.216 340 A C 2.409 179.955 177.584 -0.065 0.000 1.186 340 A CA 1.434 53.460 52.037 -0.019 0.000 0.620 340 A CB -1.129 17.877 19.000 0.010 0.000 0.822 340 A HN 0.094 nan 8.150 nan 0.000 0.443 341 R N -0.593 119.866 120.500 -0.068 0.000 2.115 341 R HA 0.016 4.356 4.340 0.000 0.000 0.226 341 R C 2.419 178.500 176.300 -0.365 0.000 1.100 341 R CA 0.965 56.989 56.100 -0.125 0.000 0.980 341 R CB -0.450 29.855 30.300 0.007 0.000 0.875 341 R HN 0.511 nan 8.270 nan 0.000 0.445 342 A N 2.115 124.575 122.820 -0.600 0.000 1.902 342 A HA -0.131 4.190 4.320 0.000 0.000 0.217 342 A C 2.069 179.480 177.584 -0.289 0.000 1.181 342 A CA 1.411 53.037 52.037 -0.685 0.000 0.623 342 A CB -0.453 18.328 19.000 -0.365 0.000 0.818 342 A HN 0.453 nan 8.150 nan 0.000 0.443 343 I N -4.756 115.676 120.570 -0.229 0.000 3.928 343 I HA 0.516 4.686 4.170 0.000 0.000 0.335 343 I C 1.037 177.080 176.117 -0.123 0.000 1.325 343 I CA 0.406 61.593 61.300 -0.188 0.000 1.107 343 I CB -0.142 37.733 38.000 -0.208 0.000 1.014 343 I HN 0.339 nan 8.210 nan 0.000 0.400 344 G N 2.458 111.195 108.800 -0.106 0.000 2.182 344 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 344 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 344 G C 0.470 175.342 174.900 -0.046 0.000 1.042 344 G CA 0.327 45.390 45.100 -0.062 0.000 0.775 344 G HN 0.966 nan 8.290 nan 0.000 0.501 345 V N -2.136 117.750 119.914 -0.046 0.000 3.070 345 V HA 0.476 4.596 4.120 0.000 0.000 0.345 345 V C 1.675 177.760 176.094 -0.015 0.000 1.403 345 V CA 0.922 63.204 62.300 -0.030 0.000 1.155 345 V CB 0.815 32.617 31.823 -0.034 0.000 1.140 345 V HN 0.412 nan 8.190 nan 0.000 0.505 346 E N 1.717 121.911 120.200 -0.009 0.000 2.409 346 E HA -0.213 4.137 4.350 0.000 0.000 0.198 346 E C 1.422 178.029 176.600 0.012 0.000 1.024 346 E CA 1.171 57.576 56.400 0.008 0.000 0.861 346 E CB -0.279 29.437 29.700 0.026 0.000 0.788 346 E HN 0.701 nan 8.360 nan 0.000 0.521 347 K N 0.609 121.012 120.400 0.006 0.000 2.362 347 K HA -0.050 4.270 4.320 0.000 0.000 0.200 347 K C 2.019 178.620 176.600 0.002 0.000 1.046 347 K CA 1.392 57.682 56.287 0.006 0.000 0.952 347 K CB 0.014 32.515 32.500 0.002 0.000 0.753 347 K HN 0.270 nan 8.250 nan 0.000 0.466 348 R N -1.167 119.332 120.500 -0.001 0.000 2.539 348 R HA 0.200 4.540 4.340 0.000 0.000 0.342 348 R C 1.008 177.307 176.300 -0.002 0.000 0.941 348 R CA -0.035 56.064 56.100 -0.002 0.000 1.146 348 R CB 0.360 30.657 30.300 -0.004 0.000 1.541 348 R HN 0.016 nan 8.270 nan 0.000 0.525 349 L N -0.713 120.510 121.223 -0.000 0.000 3.066 349 L HA 0.390 4.730 4.340 0.000 0.000 0.272 349 L C 1.803 178.676 176.870 0.004 0.000 1.101 349 L CA 0.552 55.394 54.840 0.003 0.000 1.022 349 L CB 0.857 42.920 42.059 0.007 0.000 1.600 349 L HN 0.311 nan 8.230 nan 0.000 0.559 350 G N 0.503 109.303 108.800 0.001 0.000 2.598 350 G HA2 -0.021 3.939 3.960 0.000 0.000 0.215 350 G HA3 -0.021 3.939 3.960 0.000 0.000 0.215 350 G C 0.703 175.573 174.900 -0.050 0.000 1.131 350 G CA 1.262 46.358 45.100 -0.008 0.000 0.785 350 G HN 0.368 nan 8.290 nan 0.000 0.539 351 T N -3.158 111.362 114.554 -0.057 0.000 2.804 351 T HA 0.609 4.959 4.350 0.000 0.000 0.290 351 T C -1.227 173.426 174.700 -0.079 0.000 1.099 351 T CA -0.882 61.150 62.100 -0.113 0.000 1.011 351 T CB 2.038 70.833 68.868 -0.120 0.000 1.291 351 T HN -0.202 nan 8.240 nan 0.000 0.523 352 L N 1.701 122.858 121.223 -0.110 0.000 2.321 352 L HA 0.811 5.151 4.340 0.000 0.000 0.272 352 L C 0.106 176.941 176.870 -0.059 0.000 1.050 352 L CA -0.221 54.571 54.840 -0.079 0.000 0.893 352 L CB -0.233 41.769 42.059 -0.096 0.000 1.272 352 L HN 1.125 nan 8.230 nan 0.000 0.435 353 A N 2.248 125.046 122.820 -0.036 0.000 2.587 353 A HA 0.899 5.219 4.320 0.000 0.000 0.293 353 A C -0.465 177.106 177.584 -0.022 0.000 1.087 353 A CA -0.391 51.634 52.037 -0.021 0.000 0.692 353 A CB 1.042 20.042 19.000 -0.001 0.000 1.291 353 A HN 0.598 nan 8.150 nan 0.000 0.407 354 A N -0.151 122.657 122.820 -0.019 0.000 2.567 354 A HA 0.473 4.793 4.320 0.000 0.000 0.240 354 A C 1.638 179.211 177.584 -0.018 0.000 1.053 354 A CA 1.338 53.362 52.037 -0.021 0.000 0.755 354 A CB -0.779 18.210 19.000 -0.018 0.000 0.978 354 A HN 2.855 nan 8.150 nan 0.000 0.507 355 G N 1.837 110.625 108.800 -0.021 0.000 2.241 355 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 355 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 355 G C 0.394 175.285 174.900 -0.015 0.000 0.998 355 G CA 0.569 45.659 45.100 -0.016 0.000 0.621 355 G HN 0.827 nan 8.290 nan 0.000 0.519 356 K N 0.916 121.306 120.400 -0.016 0.000 2.185 356 K HA 0.524 4.844 4.320 0.000 0.000 0.271 356 K C 0.896 177.487 176.600 -0.016 0.000 1.013 356 K CA -0.543 55.736 56.287 -0.013 0.000 0.943 356 K CB 2.023 34.515 32.500 -0.013 0.000 0.998 356 K HN 0.080 nan 8.250 nan 0.000 0.468 357 V N 1.966 121.875 119.914 -0.009 0.000 2.814 357 V HA -0.110 4.010 4.120 0.000 0.000 0.307 357 V C 0.714 176.802 176.094 -0.009 0.000 1.089 357 V CA 0.215 62.511 62.300 -0.006 0.000 1.212 357 V CB 0.700 32.525 31.823 0.002 0.000 0.912 357 V HN 0.884 nan 8.190 nan 0.000 0.497 358 A N 4.475 127.290 122.820 -0.008 0.000 3.056 358 A HA 0.355 4.675 4.320 0.000 0.000 0.274 358 A C 0.264 177.853 177.584 0.009 0.000 1.661 358 A CA -0.241 51.790 52.037 -0.010 0.000 1.363 358 A CB -1.013 17.976 19.000 -0.019 0.000 1.139 358 A HN 0.779 nan 8.150 nan 0.000 0.598 359 N N 1.121 119.824 118.700 0.005 0.000 2.626 359 N HA 0.609 5.349 4.740 0.000 0.000 0.242 359 N C -0.983 174.522 175.510 -0.007 0.000 1.005 359 N CA -0.111 52.944 53.050 0.008 0.000 0.905 359 N CB 1.116 39.612 38.487 0.016 0.000 1.128 359 N HN 0.378 nan 8.380 nan 0.000 0.512 360 L N -0.288 120.928 121.223 -0.012 0.000 2.257 360 L HA 0.798 5.138 4.340 0.000 0.000 0.257 360 L C 0.459 177.291 176.870 -0.062 0.000 1.033 360 L CA -0.810 54.012 54.840 -0.030 0.000 0.835 360 L CB 1.740 43.795 42.059 -0.006 0.000 1.398 360 L HN 0.181 nan 8.230 nan 0.000 0.429 361 T N -0.598 113.904 114.554 -0.086 0.000 2.932 361 T HA 0.861 5.211 4.350 0.000 0.000 0.318 361 T C -1.859 172.834 174.700 -0.013 0.000 1.265 361 T CA -0.147 61.896 62.100 -0.096 0.000 1.036 361 T CB 1.457 70.142 68.868 -0.305 0.000 1.209 361 T HN 0.969 nan 8.240 nan 0.000 0.484 362 A N 3.159 125.996 122.820 0.028 0.000 2.413 362 A HA 1.004 5.324 4.320 0.000 0.000 0.307 362 A C -1.323 176.324 177.584 0.105 0.000 1.087 362 A CA -0.791 51.225 52.037 -0.035 0.000 0.750 362 A CB 0.912 19.881 19.000 -0.052 0.000 1.296 362 A HN 1.112 nan 8.150 nan 0.000 0.423 363 F N -1.097 118.879 119.950 0.043 0.000 2.654 363 F HA 0.715 5.242 4.527 0.000 0.000 0.308 363 F C 0.139 175.937 175.800 -0.004 0.000 1.108 363 F CA -0.496 57.532 58.000 0.047 0.000 0.957 363 F CB 0.829 39.904 39.000 0.125 0.000 1.309 363 F HN 0.650 nan 8.300 nan 0.000 0.446 364 T N -0.936 113.736 114.554 0.197 0.000 2.868 364 T HA 0.308 4.658 4.350 0.000 0.000 0.292 364 T C -1.776 172.938 174.700 0.024 0.000 1.028 364 T CA -1.488 60.643 62.100 0.052 0.000 1.059 364 T CB 1.117 70.008 68.868 0.039 0.000 0.991 364 T HN 0.603 nan 8.240 nan 0.000 0.531 365 P HA -0.107 nan 4.420 nan 0.000 0.223 365 P C 0.689 177.744 177.300 -0.408 0.000 1.144 365 P CA 1.047 63.999 63.100 -0.247 0.000 0.783 365 P CB -0.036 31.556 31.700 -0.179 0.000 0.771 366 D N -1.432 118.858 120.400 -0.183 0.000 2.319 366 D HA -0.047 4.593 4.640 0.000 0.000 0.230 366 D C 0.005 176.355 176.300 0.082 0.000 1.094 366 D CA -0.540 53.420 54.000 -0.068 0.000 0.856 366 D CB -0.775 40.038 40.800 0.020 0.000 0.915 366 D HN 0.094 nan 8.370 nan 0.000 0.517 367 F N 0.083 120.105 119.950 0.121 0.000 3.058 367 F HA -0.206 4.321 4.527 0.000 0.000 0.295 367 F C 0.026 175.862 175.800 0.060 0.000 0.875 367 F CA 0.249 58.273 58.000 0.040 0.000 1.150 367 F CB -1.834 37.116 39.000 -0.083 0.000 1.175 367 F HN -0.041 nan 8.300 nan 0.000 0.599 368 K N 1.197 121.736 120.400 0.231 0.000 2.213 368 K HA 0.487 4.807 4.320 0.000 0.000 0.270 368 K C 0.255 176.982 176.600 0.211 0.000 1.002 368 K CA -0.786 55.608 56.287 0.178 0.000 0.868 368 K CB 1.357 33.928 32.500 0.118 0.000 1.093 368 K HN -0.018 nan 8.250 nan 0.000 0.454 369 I N 3.414 124.095 120.570 0.186 0.000 2.598 369 I HA -0.069 4.101 4.170 0.000 0.000 0.284 369 I C 1.629 177.819 176.117 0.122 0.000 1.140 369 I CA 0.654 62.064 61.300 0.183 0.000 1.420 369 I CB -0.021 38.056 38.000 0.129 0.000 1.387 369 I HN 0.696 nan 8.210 nan 0.000 0.553 370 T N 3.084 117.705 114.554 0.110 0.000 2.969 370 T HA 0.266 4.616 4.350 0.000 0.000 0.250 370 T C 0.678 175.402 174.700 0.040 0.000 1.021 370 T CA 0.002 62.138 62.100 0.061 0.000 1.003 370 T CB 0.689 69.582 68.868 0.042 0.000 1.040 370 T HN 0.516 nan 8.240 nan 0.000 0.492 371 K N 0.288 120.714 120.400 0.044 0.000 2.551 371 K HA 0.607 4.927 4.320 0.000 0.000 0.269 371 K C -1.722 174.889 176.600 0.017 0.000 0.949 371 K CA -0.649 55.653 56.287 0.025 0.000 0.849 371 K CB 2.573 35.084 32.500 0.018 0.000 1.411 371 K HN -0.027 nan 8.250 nan 0.000 0.432 372 T N 1.786 116.345 114.554 0.009 0.000 3.032 372 T HA 0.503 4.853 4.350 0.000 0.000 0.312 372 T C -0.950 173.756 174.700 0.009 0.000 1.078 372 T CA -0.586 61.509 62.100 -0.007 0.000 1.028 372 T CB 0.883 69.745 68.868 -0.010 0.000 1.091 372 T HN 0.348 nan 8.240 nan 0.000 0.457 373 I N 2.679 123.256 120.570 0.012 0.000 2.436 373 I HA 0.567 4.737 4.170 0.000 0.000 0.289 373 I C -0.764 175.373 176.117 0.033 0.000 1.010 373 I CA -1.108 60.215 61.300 0.039 0.000 1.098 373 I CB 2.069 40.112 38.000 0.071 0.000 1.266 373 I HN 0.262 nan 8.210 nan 0.000 0.434 374 V N 6.316 126.255 119.914 0.041 0.000 2.407 374 V HA 0.326 4.446 4.120 0.000 0.000 0.291 374 V C 0.067 176.189 176.094 0.047 0.000 1.018 374 V CA -0.670 61.654 62.300 0.041 0.000 0.842 374 V CB 1.289 33.138 31.823 0.043 0.000 0.996 374 V HN 0.883 nan 8.190 nan 0.000 0.426 375 N N 4.400 123.124 118.700 0.040 0.000 2.725 375 N HA -0.224 4.516 4.740 0.000 0.000 0.251 375 N C 1.247 176.788 175.510 0.051 0.000 1.031 375 N CA 1.351 54.423 53.050 0.037 0.000 0.720 375 N CB -0.974 37.534 38.487 0.035 0.000 0.930 375 N HN 1.474 nan 8.380 nan 0.000 0.543 376 G N -1.026 107.812 108.800 0.063 0.000 2.284 376 G HA2 -0.357 3.603 3.960 0.000 0.000 0.261 376 G HA3 -0.357 3.603 3.960 0.000 0.000 0.261 376 G C 0.072 175.081 174.900 0.182 0.000 0.997 376 G CA 0.502 45.672 45.100 0.116 0.000 0.621 376 G HN 0.536 nan 8.290 nan 0.000 0.534 377 N N 1.194 119.957 118.700 0.105 0.000 2.472 377 N HA 0.368 5.108 4.740 0.000 0.000 0.277 377 N C -0.116 175.426 175.510 0.054 0.000 1.081 377 N CA -0.132 52.961 53.050 0.073 0.000 0.973 377 N CB 1.496 40.011 38.487 0.045 0.000 1.105 377 N HN 0.620 nan 8.380 nan 0.000 0.470 378 E N 1.860 122.072 120.200 0.021 0.000 2.070 378 E HA 0.073 4.423 4.350 0.000 0.000 0.282 378 E C 0.169 176.769 176.600 0.000 0.000 1.104 378 E CA -0.236 56.167 56.400 0.006 0.000 0.876 378 E CB 0.598 30.274 29.700 -0.039 0.000 1.055 378 E HN 0.290 nan 8.360 nan 0.000 0.401 379 V N 4.907 124.826 119.914 0.010 0.000 3.590 379 V HA 0.157 4.277 4.120 0.000 0.000 0.265 379 V C -0.268 175.829 176.094 0.005 0.000 1.239 379 V CA 0.337 62.642 62.300 0.008 0.000 1.117 379 V CB 0.802 32.633 31.823 0.014 0.000 0.818 379 V HN 0.451 nan 8.190 nan 0.000 0.451 380 V N 0.204 120.121 119.914 0.005 0.000 2.638 380 V HA 0.552 4.672 4.120 0.000 0.000 0.306 380 V C -0.534 175.564 176.094 0.006 0.000 1.052 380 V CA -0.286 62.018 62.300 0.007 0.000 0.885 380 V CB 1.907 33.737 31.823 0.012 0.000 0.999 380 V HN 0.264 nan 8.190 nan 0.000 0.424 381 T N 4.982 119.539 114.554 0.005 0.000 3.066 381 T HA 0.550 4.900 4.350 0.000 0.000 0.318 381 T C -0.759 173.946 174.700 0.008 0.000 0.979 381 T CA -0.572 61.530 62.100 0.003 0.000 1.025 381 T CB 1.219 70.082 68.868 -0.009 0.000 1.002 381 T HN 0.576 nan 8.240 nan 0.000 0.453 382 Q N 0.000 119.810 119.800 0.016 0.000 2.315 382 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 382 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 382 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 382 Q HN 0.000 nan 8.270 nan 0.000 0.481