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 1ox6_1_A DATA FIRST_RESID -3 DATA SEQUENCE GSHXMPVVHV IDVESGNLQS LTNAIEHLGY EVQLVKSPKD FNISGTSRLI DATA SEQUENCE LPGVGNYGHF VDNLFNRGFE KPIREYIESG KPIMGICVGL QALFAGSVES DATA SEQUENCE PKSTGLNYID FKLSRFDDSE KPVPEIGWNS CIPSENLFFG LDPYKRYYFV DATA SEQUENCE HSFAAILNSE KKKNLENDGW KIAKAKYGSE EFIAAVNKNN IFATQFHPEK DATA SEQUENCE SGKAGLNVIE NFLKQQSPPI PNYSAEEKEL LMNDYSNYGL TRRIIACLDV DATA SEQUENCE RTNDQGDLVV XXXXXXXXXX XXXXXXXXXL GKPVQLAQKY YQQGADEVTF DATA SEQUENCE LNITXXXDCP LKDTPMLEVL KQAAKTVFVP LTVGGGIKDI VDVDGTKIPA DATA SEQUENCE LEVASLYFRS GADKVSIGTD AVYAAEKYYE LGNRGDGTSP IETISKAYGA DATA SEQUENCE QAVVISVDPK RVYVNSQADT KNKVFETEYP GPNGEKYCWY QCTIKGGRES DATA SEQUENCE RDLGVWELTR ACEALGAGEI LLNCIDKDGS NSGYDLELIE HVKDAVKIPV DATA SEQUENCE IASSGAGVPE HFEEAFLKTR ADACLGAGMF HRGEFTVNDV KEYLLEHGLK DATA SEQUENCE VRMD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.987 174.900 0.146 0.000 0.946 -3 G CA 0.000 45.181 45.100 0.134 0.000 0.502 -2 S N 0.227 116.046 115.700 0.199 0.000 2.671 -2 S HA 0.182 4.652 4.470 -0.000 0.000 0.231 -2 S C 0.331 175.027 174.600 0.159 0.000 0.882 -2 S CA 0.247 58.529 58.200 0.138 0.000 1.476 -2 S CB -0.654 62.601 63.200 0.091 0.000 1.257 -2 S HN 0.898 nan 8.310 nan 0.000 0.633 2 P HA 0.227 nan 4.420 nan 0.000 0.267 2 P C -0.812 176.541 177.300 0.088 0.000 1.205 2 P CA -0.108 62.974 63.100 -0.030 0.000 0.765 2 P CB 0.770 32.441 31.700 -0.049 0.000 0.828 3 V N 4.539 124.521 119.914 0.113 0.000 2.539 3 V HA 0.249 4.369 4.120 -0.000 0.000 0.292 3 V C 0.540 176.702 176.094 0.113 0.000 1.045 3 V CA -0.554 61.795 62.300 0.082 0.000 0.945 3 V CB 1.834 33.670 31.823 0.021 0.000 0.993 3 V HN 0.293 nan 8.190 nan 0.000 0.464 4 V N 3.997 123.935 119.914 0.039 0.000 2.409 4 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 4 V C -0.671 175.373 176.094 -0.082 0.000 1.020 4 V CA -0.755 61.573 62.300 0.046 0.000 0.848 4 V CB 1.418 33.259 31.823 0.030 0.000 0.990 4 V HN 0.903 nan 8.190 nan 0.000 0.430 5 H N 2.650 121.723 119.070 0.005 0.000 2.562 5 H HA 0.587 5.143 4.556 -0.000 0.000 0.314 5 H C -0.372 174.880 175.328 -0.126 0.000 1.079 5 H CA -0.242 55.771 56.048 -0.059 0.000 1.349 5 H CB 1.493 31.206 29.762 -0.082 0.000 1.432 5 H HN 0.423 nan 8.280 nan 0.000 0.479 6 V N 5.746 125.626 119.914 -0.057 0.000 2.407 6 V HA 0.193 4.313 4.120 -0.000 0.000 0.291 6 V C 0.330 176.327 176.094 -0.162 0.000 1.018 6 V CA -0.702 61.536 62.300 -0.104 0.000 0.842 6 V CB 1.080 32.861 31.823 -0.070 0.000 0.996 6 V HN 0.691 nan 8.190 nan 0.000 0.426 7 I N 4.162 124.577 120.570 -0.259 0.000 2.517 7 I HA 0.140 4.309 4.170 -0.000 0.000 0.285 7 I C 0.052 176.013 176.117 -0.260 0.000 1.106 7 I CA 0.538 61.603 61.300 -0.392 0.000 1.402 7 I CB 0.482 38.122 38.000 -0.600 0.000 1.399 7 I HN 0.592 nan 8.210 nan 0.000 0.535 8 D N 6.172 126.448 120.400 -0.206 0.000 2.453 8 D HA 0.188 4.828 4.640 -0.000 0.000 0.238 8 D C 0.575 176.833 176.300 -0.071 0.000 1.088 8 D CA -0.558 53.389 54.000 -0.090 0.000 0.854 8 D CB 1.581 42.365 40.800 -0.026 0.000 1.076 8 D HN 0.287 nan 8.370 nan 0.000 0.533 9 V N 0.870 120.749 119.914 -0.058 0.000 3.630 9 V HA 0.156 4.275 4.120 -0.000 0.000 0.273 9 V C 0.385 176.505 176.094 0.044 0.000 1.248 9 V CA 0.051 62.331 62.300 -0.034 0.000 1.170 9 V CB -1.358 30.416 31.823 -0.081 0.000 0.899 9 V HN 0.721 nan 8.190 nan 0.000 0.457 10 E N -0.037 120.195 120.200 0.053 0.000 2.297 10 E HA -0.202 4.148 4.350 -0.000 0.000 0.228 10 E C 0.183 176.852 176.600 0.115 0.000 1.213 10 E CA 0.816 57.262 56.400 0.077 0.000 0.712 10 E CB -1.620 28.124 29.700 0.074 0.000 1.202 10 E HN 0.748 nan 8.360 nan 0.000 0.376 11 S N -0.501 115.276 115.700 0.129 0.000 2.614 11 S HA 0.669 5.139 4.470 -0.000 0.000 0.275 11 S C -0.059 174.665 174.600 0.206 0.000 1.161 11 S CA 0.404 58.715 58.200 0.186 0.000 0.969 11 S CB 1.752 65.025 63.200 0.123 0.000 1.059 11 S HN 0.995 nan 8.310 nan 0.000 0.482 12 G N 3.880 112.874 108.800 0.323 0.000 2.728 12 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.294 12 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.294 12 G C -0.667 174.283 174.900 0.082 0.000 1.342 12 G CA -0.404 44.800 45.100 0.172 0.000 0.866 12 G HN 0.974 nan 8.290 nan 0.000 0.534 13 N N -0.163 118.533 118.700 -0.007 0.000 2.405 13 N HA 0.389 5.129 4.740 -0.000 0.000 0.260 13 N C 0.817 176.336 175.510 0.014 0.000 1.152 13 N CA -0.254 52.803 53.050 0.013 0.000 0.948 13 N CB 0.987 39.461 38.487 -0.021 0.000 1.111 13 N HN 0.698 nan 8.380 nan 0.000 0.485 14 L N 2.881 124.122 121.223 0.030 0.000 2.766 14 L HA 0.289 4.629 4.340 -0.000 0.000 0.242 14 L C 1.681 178.570 176.870 0.031 0.000 1.136 14 L CA 0.346 55.202 54.840 0.027 0.000 0.933 14 L CB -0.106 41.968 42.059 0.026 0.000 1.241 14 L HN 0.557 nan 8.230 nan 0.000 0.522 15 Q N -0.499 119.317 119.800 0.027 0.000 2.030 15 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 15 Q C 2.141 178.169 176.000 0.046 0.000 0.986 15 Q CA 2.000 57.816 55.803 0.023 0.000 0.843 15 Q CB -0.462 28.275 28.738 -0.002 0.000 0.904 15 Q HN 0.480 nan 8.270 nan 0.000 0.420 16 S N 1.410 117.141 115.700 0.052 0.000 2.359 16 S HA -0.152 4.317 4.470 -0.000 0.000 0.224 16 S C 1.957 176.679 174.600 0.203 0.000 1.035 16 S CA 1.140 59.415 58.200 0.125 0.000 1.018 16 S CB -0.387 62.877 63.200 0.107 0.000 0.876 16 S HN 0.240 nan 8.310 nan 0.000 0.448 17 L N 2.226 123.521 121.223 0.120 0.000 2.017 17 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 17 L C 2.636 179.558 176.870 0.088 0.000 1.073 17 L CA 2.481 57.374 54.840 0.089 0.000 0.745 17 L CB -1.571 40.509 42.059 0.035 0.000 0.894 17 L HN 0.516 nan 8.230 nan 0.000 0.432 18 T N -3.251 111.349 114.554 0.076 0.000 2.821 18 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 18 T C 1.838 176.610 174.700 0.120 0.000 1.046 18 T CA 1.320 63.464 62.100 0.073 0.000 1.139 18 T CB -0.644 68.254 68.868 0.050 0.000 0.871 18 T HN 0.343 nan 8.240 nan 0.000 0.454 19 N N 2.003 120.799 118.700 0.160 0.000 2.244 19 N HA 0.122 4.862 4.740 -0.000 0.000 0.183 19 N C 2.206 177.935 175.510 0.365 0.000 1.016 19 N CA 1.338 54.523 53.050 0.225 0.000 0.866 19 N CB -0.643 37.947 38.487 0.173 0.000 0.980 19 N HN 0.646 nan 8.380 nan 0.000 0.430 20 A N 1.143 124.172 122.820 0.349 0.000 1.898 20 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 20 A C 2.300 179.952 177.584 0.112 0.000 1.181 20 A CA 0.752 52.854 52.037 0.109 0.000 0.620 20 A CB -0.557 18.395 19.000 -0.080 0.000 0.819 20 A HN 0.181 nan 8.150 nan 0.000 0.442 21 I N -0.217 120.413 120.570 0.100 0.000 2.179 21 I HA -0.268 3.901 4.170 -0.000 0.000 0.242 21 I C 2.467 178.688 176.117 0.173 0.000 1.088 21 I CA 1.673 63.019 61.300 0.077 0.000 1.357 21 I CB -0.506 37.516 38.000 0.037 0.000 1.051 21 I HN 0.431 nan 8.210 nan 0.000 0.409 22 E N -0.205 120.102 120.200 0.178 0.000 2.106 22 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 22 E C 2.058 178.777 176.600 0.198 0.000 0.984 22 E CA 1.294 57.799 56.400 0.175 0.000 0.806 22 E CB -0.320 29.468 29.700 0.146 0.000 0.750 22 E HN 0.524 nan 8.360 nan 0.000 0.458 23 H N 1.034 120.192 119.070 0.147 0.000 2.422 23 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 23 H C 1.668 177.070 175.328 0.124 0.000 1.098 23 H CA 1.204 57.340 56.048 0.147 0.000 1.315 23 H CB -0.109 29.770 29.762 0.194 0.000 1.382 23 H HN 0.060 nan 8.280 nan 0.000 0.523 24 L N -0.768 120.488 121.223 0.055 0.000 2.610 24 L HA 0.135 4.475 4.340 -0.000 0.000 0.232 24 L C 1.470 178.436 176.870 0.161 0.000 1.149 24 L CA 0.603 55.484 54.840 0.068 0.000 0.872 24 L CB 0.014 42.177 42.059 0.174 0.000 0.992 24 L HN 0.671 nan 8.230 nan 0.000 0.447 25 G N -1.472 107.382 108.800 0.091 0.000 2.131 25 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.223 25 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.223 25 G C -0.209 174.579 174.900 -0.187 0.000 0.990 25 G CA -0.500 44.562 45.100 -0.063 0.000 0.671 25 G HN 0.216 nan 8.290 nan 0.000 0.521 26 Y N 0.000 120.280 120.300 -0.034 0.000 2.534 26 Y HA 0.681 5.231 4.550 -0.000 0.000 0.329 26 Y C 0.540 176.417 175.900 -0.038 0.000 1.154 26 Y CA -1.154 56.924 58.100 -0.038 0.000 1.192 26 Y CB 1.208 39.662 38.460 -0.011 0.000 1.275 26 Y HN 0.176 nan 8.280 nan 0.000 0.491 27 E N 1.023 121.283 120.200 0.100 0.000 2.175 27 E HA 0.535 4.884 4.350 -0.000 0.000 0.278 27 E C -1.644 174.984 176.600 0.047 0.000 0.969 27 E CA -0.581 55.847 56.400 0.048 0.000 0.796 27 E CB 1.164 30.870 29.700 0.010 0.000 1.104 27 E HN 0.441 nan 8.360 nan 0.000 0.395 28 V N 4.001 123.934 119.914 0.032 0.000 2.509 28 V HA 0.171 4.290 4.120 -0.000 0.000 0.284 28 V C -0.230 175.831 176.094 -0.055 0.000 1.047 28 V CA -0.432 61.862 62.300 -0.009 0.000 0.952 28 V CB 1.382 33.214 31.823 0.014 0.000 0.988 28 V HN 0.670 nan 8.190 nan 0.000 0.469 29 Q N 4.454 124.169 119.800 -0.141 0.000 2.401 29 Q HA 0.462 4.802 4.340 -0.000 0.000 0.260 29 Q C -1.147 174.799 176.000 -0.090 0.000 1.034 29 Q CA -0.201 55.504 55.803 -0.163 0.000 0.737 29 Q CB 1.134 29.622 28.738 -0.416 0.000 1.227 29 Q HN 0.717 nan 8.270 nan 0.000 0.488 30 L N 3.534 124.742 121.223 -0.025 0.000 2.462 30 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 30 L C -0.421 176.466 176.870 0.029 0.000 1.166 30 L CA -0.541 54.295 54.840 -0.006 0.000 0.880 30 L CB 0.721 42.785 42.059 0.009 0.000 1.142 30 L HN 0.366 nan 8.230 nan 0.000 0.473 31 V N 4.881 124.796 119.914 0.002 0.000 2.293 31 V HA 0.178 4.297 4.120 -0.000 0.000 0.275 31 V C 0.687 176.846 176.094 0.109 0.000 1.021 31 V CA -0.503 61.829 62.300 0.053 0.000 0.815 31 V CB 0.944 32.701 31.823 -0.110 0.000 1.025 31 V HN 0.754 nan 8.190 nan 0.000 0.448 32 K N 1.775 122.284 120.400 0.181 0.000 2.323 32 K HA 0.210 4.530 4.320 -0.000 0.000 0.197 32 K C 0.804 177.625 176.600 0.369 0.000 1.043 32 K CA 0.319 56.735 56.287 0.215 0.000 0.997 32 K CB 0.783 33.357 32.500 0.124 0.000 0.807 32 K HN 0.546 nan 8.250 nan 0.000 0.497 33 S N -0.020 115.868 115.700 0.314 0.000 2.569 33 S HA 0.310 4.779 4.470 -0.000 0.000 0.280 33 S C -2.484 172.097 174.600 -0.033 0.000 1.111 33 S CA -1.740 56.503 58.200 0.072 0.000 0.887 33 S CB 1.670 64.889 63.200 0.033 0.000 1.095 33 S HN -0.265 nan 8.310 nan 0.000 0.476 34 P HA -0.009 nan 4.420 nan 0.000 0.221 34 P C 0.463 177.807 177.300 0.073 0.000 1.145 34 P CA 1.083 64.075 63.100 -0.180 0.000 0.795 34 P CB 0.075 31.558 31.700 -0.363 0.000 0.775 35 K N -0.854 119.560 120.400 0.023 0.000 2.365 35 K HA -0.058 4.262 4.320 -0.000 0.000 0.199 35 K C 0.815 177.491 176.600 0.126 0.000 1.045 35 K CA 0.832 57.145 56.287 0.044 0.000 0.962 35 K CB -0.326 32.184 32.500 0.017 0.000 0.759 35 K HN 0.135 nan 8.250 nan 0.000 0.469 36 D N 0.339 120.870 120.400 0.218 0.000 2.352 36 D HA 0.025 4.665 4.640 -0.000 0.000 0.232 36 D C -0.108 176.440 176.300 0.413 0.000 1.055 36 D CA 0.499 54.657 54.000 0.263 0.000 0.891 36 D CB -0.131 40.808 40.800 0.233 0.000 0.897 36 D HN 0.234 nan 8.370 nan 0.000 0.529 37 F N -0.689 119.303 119.950 0.071 0.000 2.725 37 F HA 0.357 4.884 4.527 -0.000 0.000 0.309 37 F C -1.841 173.950 175.800 -0.015 0.000 1.132 37 F CA -1.590 56.422 58.000 0.020 0.000 0.957 37 F CB 0.905 39.890 39.000 -0.025 0.000 1.286 37 F HN -0.185 nan 8.300 nan 0.000 0.440 38 N N 2.928 121.431 118.700 -0.327 0.000 2.238 38 N HA 0.431 5.170 4.740 -0.000 0.000 0.302 38 N C 0.251 175.574 175.510 -0.312 0.000 1.072 38 N CA -0.952 51.863 53.050 -0.393 0.000 0.792 38 N CB 1.694 40.083 38.487 -0.164 0.000 1.425 38 N HN 0.543 nan 8.380 nan 0.000 0.478 39 I N 0.896 121.305 120.570 -0.268 0.000 2.053 39 I HA -0.335 3.835 4.170 -0.000 0.000 0.236 39 I C 2.413 178.550 176.117 0.033 0.000 1.038 39 I CA 2.160 63.435 61.300 -0.041 0.000 1.304 39 I CB -1.986 35.993 38.000 -0.036 0.000 1.023 39 I HN 0.869 nan 8.210 nan 0.000 0.395 40 S N 0.843 116.536 115.700 -0.011 0.000 2.402 40 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 40 S C 1.950 176.572 174.600 0.036 0.000 1.030 40 S CA 1.272 59.477 58.200 0.009 0.000 1.003 40 S CB -1.332 61.864 63.200 -0.007 0.000 0.813 40 S HN 0.556 nan 8.310 nan 0.000 0.477 41 G N 0.409 109.224 108.800 0.025 0.000 3.042 41 G HA2 0.324 4.284 3.960 -0.000 0.000 0.212 41 G HA3 0.324 4.284 3.960 -0.000 0.000 0.212 41 G C 0.009 174.955 174.900 0.076 0.000 1.166 41 G CA 0.024 45.158 45.100 0.057 0.000 0.767 41 G HN 0.496 nan 8.290 nan 0.000 0.546 42 T N 0.288 114.884 114.554 0.071 0.000 2.770 42 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 42 T C 1.082 175.965 174.700 0.305 0.000 0.988 42 T CA -0.160 61.987 62.100 0.077 0.000 0.957 42 T CB 1.738 70.559 68.868 -0.077 0.000 0.930 42 T HN 0.145 nan 8.240 nan 0.000 0.443 43 S N 2.400 118.270 115.700 0.284 0.000 2.506 43 S HA 0.262 4.732 4.470 -0.000 0.000 0.219 43 S C 0.640 175.412 174.600 0.286 0.000 1.031 43 S CA -0.487 57.871 58.200 0.263 0.000 0.911 43 S CB 0.447 63.748 63.200 0.168 0.000 0.812 43 S HN 0.390 nan 8.310 nan 0.000 0.497 44 R N 0.961 121.623 120.500 0.271 0.000 2.502 44 R HA 0.563 4.903 4.340 -0.000 0.000 0.298 44 R C -1.977 174.432 176.300 0.183 0.000 1.018 44 R CA -0.441 55.789 56.100 0.217 0.000 0.899 44 R CB 1.613 31.982 30.300 0.115 0.000 1.181 44 R HN 0.311 nan 8.270 nan 0.000 0.444 45 L N 4.202 125.505 121.223 0.134 0.000 2.346 45 L HA 0.650 4.990 4.340 -0.000 0.000 0.276 45 L C -0.949 175.914 176.870 -0.011 0.000 1.006 45 L CA -0.502 54.284 54.840 -0.090 0.000 0.817 45 L CB 1.555 43.279 42.059 -0.559 0.000 1.272 45 L HN 0.564 nan 8.230 nan 0.000 0.421 46 I N 5.487 126.005 120.570 -0.087 0.000 2.498 46 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 46 I C -1.221 174.790 176.117 -0.177 0.000 1.032 46 I CA -0.764 60.448 61.300 -0.146 0.000 1.073 46 I CB 2.053 39.980 38.000 -0.123 0.000 1.251 46 I HN 0.416 nan 8.210 nan 0.000 0.426 47 L N 9.773 130.881 121.223 -0.191 0.000 2.335 47 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 47 L C -2.535 174.237 176.870 -0.164 0.000 1.037 47 L CA -1.773 52.980 54.840 -0.146 0.000 0.895 47 L CB 0.637 42.643 42.059 -0.087 0.000 1.266 47 L HN 0.253 nan 8.230 nan 0.000 0.439 48 P HA 0.593 nan 4.420 nan 0.000 0.284 48 P C -0.679 176.482 177.300 -0.231 0.000 1.258 48 P CA -0.370 62.613 63.100 -0.195 0.000 0.824 48 P CB 2.130 33.757 31.700 -0.122 0.000 1.038 49 G N 0.197 108.726 108.800 -0.450 0.000 2.732 49 G HA2 0.579 4.538 3.960 -0.000 0.000 0.296 49 G HA3 0.579 4.538 3.960 -0.000 0.000 0.296 49 G C -1.226 173.355 174.900 -0.532 0.000 1.448 49 G CA -0.621 43.974 45.100 -0.841 0.000 0.911 49 G HN 0.513 nan 8.290 nan 0.000 0.528 50 V N -1.357 118.324 119.914 -0.388 0.000 3.188 50 V HA 1.014 5.134 4.120 -0.000 0.000 0.305 50 V C 0.749 176.714 176.094 -0.214 0.000 1.232 50 V CA 0.091 62.270 62.300 -0.202 0.000 1.043 50 V CB 1.165 32.940 31.823 -0.080 0.000 1.068 50 V HN 2.826 nan 8.190 nan 0.000 0.439 51 G N 1.197 109.913 108.800 -0.140 0.000 2.725 51 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 51 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 51 G C -0.193 174.634 174.900 -0.121 0.000 1.357 51 G CA 0.030 45.030 45.100 -0.166 0.000 0.866 51 G HN 1.706 nan 8.290 nan 0.000 0.548 52 N N 0.226 118.861 118.700 -0.107 0.000 2.359 52 N HA -0.016 4.724 4.740 -0.000 0.000 0.261 52 N C 1.380 176.905 175.510 0.025 0.000 1.267 52 N CA 0.916 53.957 53.050 -0.015 0.000 0.864 52 N CB 0.230 38.738 38.487 0.035 0.000 1.063 52 N HN 0.671 nan 8.380 nan 0.000 0.474 53 Y N 4.204 124.431 120.300 -0.121 0.000 2.040 53 Y HA -0.219 4.331 4.550 -0.000 0.000 0.275 53 Y C 2.151 178.036 175.900 -0.024 0.000 1.171 53 Y CA 2.576 60.619 58.100 -0.095 0.000 1.123 53 Y CB -0.585 37.757 38.460 -0.198 0.000 0.963 53 Y HN 0.696 nan 8.280 nan 0.000 0.493 54 G N -1.255 107.644 108.800 0.166 0.000 2.422 54 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 54 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 54 G C 1.626 176.532 174.900 0.010 0.000 1.146 54 G CA 1.137 46.276 45.100 0.066 0.000 0.769 54 G HN 0.553 nan 8.290 nan 0.000 0.547 55 H N 0.055 119.088 119.070 -0.062 0.000 2.352 55 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 55 H C 2.113 177.386 175.328 -0.090 0.000 1.097 55 H CA 1.652 57.654 56.048 -0.077 0.000 1.311 55 H CB -0.466 29.247 29.762 -0.080 0.000 1.377 55 H HN 0.338 nan 8.280 nan 0.000 0.504 56 F N 0.633 120.572 119.950 -0.019 0.000 2.098 56 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 56 F C 2.518 178.161 175.800 -0.261 0.000 1.107 56 F CA 1.375 59.284 58.000 -0.152 0.000 1.234 56 F CB -0.657 38.173 39.000 -0.283 0.000 1.002 56 F HN -0.019 nan 8.300 nan 0.000 0.472 57 V N 0.635 120.285 119.914 -0.441 0.000 2.407 57 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 57 V C 2.051 177.758 176.094 -0.645 0.000 1.055 57 V CA 2.061 63.922 62.300 -0.732 0.000 1.049 57 V CB -0.788 30.584 31.823 -0.752 0.000 0.662 57 V HN 0.312 nan 8.190 nan 0.000 0.455 58 D N 0.180 120.367 120.400 -0.356 0.000 2.097 58 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 58 D C 2.158 178.360 176.300 -0.163 0.000 0.989 58 D CA 1.222 55.097 54.000 -0.210 0.000 0.827 58 D CB -0.474 40.245 40.800 -0.136 0.000 0.966 58 D HN 0.348 nan 8.370 nan 0.000 0.456 59 N N 0.731 119.318 118.700 -0.189 0.000 2.069 59 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 59 N C 1.946 177.387 175.510 -0.115 0.000 1.031 59 N CA 0.609 53.579 53.050 -0.134 0.000 0.852 59 N CB -0.323 38.093 38.487 -0.118 0.000 1.018 59 N HN 0.109 nan 8.380 nan 0.000 0.423 60 L N 0.309 121.356 121.223 -0.293 0.000 1.976 60 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 60 L C 2.027 179.082 176.870 0.308 0.000 1.071 60 L CA 1.597 56.358 54.840 -0.131 0.000 0.746 60 L CB -0.974 40.802 42.059 -0.471 0.000 0.890 60 L HN 0.043 nan 8.230 nan 0.000 0.432 61 F N -0.177 119.747 119.950 -0.043 0.000 2.293 61 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 61 F C 2.467 178.267 175.800 0.000 0.000 1.086 61 F CA 0.571 58.574 58.000 0.006 0.000 1.375 61 F CB -1.497 37.495 39.000 -0.013 0.000 1.045 61 F HN 0.257 nan 8.300 nan 0.000 0.516 62 N N 0.638 119.438 118.700 0.168 0.000 2.142 62 N HA -0.137 4.602 4.740 -0.000 0.000 0.186 62 N C 1.807 177.350 175.510 0.054 0.000 1.023 62 N CA 0.839 53.937 53.050 0.079 0.000 0.852 62 N CB -0.313 38.193 38.487 0.031 0.000 0.998 62 N HN 0.268 nan 8.380 nan 0.000 0.424 63 R N -0.056 120.498 120.500 0.090 0.000 2.328 63 R HA 0.039 4.379 4.340 -0.000 0.000 0.207 63 R C 0.790 176.996 176.300 -0.157 0.000 1.056 63 R CA 0.600 56.717 56.100 0.030 0.000 1.016 63 R CB -0.066 30.364 30.300 0.216 0.000 0.872 63 R HN 0.246 nan 8.270 nan 0.000 0.471 64 G N 0.143 108.904 108.800 -0.065 0.000 2.142 64 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.225 64 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.225 64 G C 0.311 175.097 174.900 -0.189 0.000 1.015 64 G CA -0.295 44.721 45.100 -0.140 0.000 0.716 64 G HN 0.357 nan 8.290 nan 0.000 0.508 65 F N 0.170 120.152 119.950 0.053 0.000 2.743 65 F HA 0.205 4.731 4.527 -0.000 0.000 0.297 65 F C 2.213 178.024 175.800 0.018 0.000 1.131 65 F CA 1.018 59.065 58.000 0.078 0.000 1.426 65 F CB 0.223 39.271 39.000 0.079 0.000 1.116 65 F HN 0.450 nan 8.300 nan 0.000 0.583 66 E N 1.387 121.569 120.200 -0.029 0.000 2.012 66 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 66 E C 2.023 178.568 176.600 -0.091 0.000 1.007 66 E CA 1.809 58.030 56.400 -0.299 0.000 0.816 66 E CB -0.004 29.190 29.700 -0.843 0.000 0.762 66 E HN 0.299 nan 8.360 nan 0.000 0.451 67 K N -0.084 120.265 120.400 -0.085 0.000 2.032 67 K HA -0.123 4.196 4.320 -0.000 0.000 0.209 67 K C -0.487 176.143 176.600 0.049 0.000 1.048 67 K CA 1.915 58.184 56.287 -0.029 0.000 0.927 67 K CB -0.951 31.518 32.500 -0.052 0.000 0.712 67 K HN 0.243 nan 8.250 nan 0.000 0.441 68 P HA -0.158 nan 4.420 nan 0.000 0.215 68 P C 1.316 178.805 177.300 0.314 0.000 1.153 68 P CA 1.234 64.436 63.100 0.170 0.000 0.853 68 P CB 0.021 31.890 31.700 0.282 0.000 0.788 69 I N -1.026 119.748 120.570 0.340 0.000 2.179 69 I HA -0.261 3.908 4.170 -0.000 0.000 0.242 69 I C 2.529 178.821 176.117 0.293 0.000 1.088 69 I CA 1.564 63.062 61.300 0.329 0.000 1.357 69 I CB -0.389 37.776 38.000 0.274 0.000 1.051 69 I HN -0.118 nan 8.210 nan 0.000 0.409 70 R N 0.498 121.133 120.500 0.225 0.000 2.081 70 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 70 R C 2.187 178.587 176.300 0.167 0.000 1.131 70 R CA 1.399 57.632 56.100 0.222 0.000 0.960 70 R CB -0.255 30.129 30.300 0.140 0.000 0.856 70 R HN 0.444 nan 8.270 nan 0.000 0.436 71 E N -0.394 119.884 120.200 0.130 0.000 2.072 71 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 71 E C 1.689 178.344 176.600 0.091 0.000 0.985 71 E CA 1.120 57.568 56.400 0.079 0.000 0.801 71 E CB -0.137 29.588 29.700 0.041 0.000 0.750 71 E HN 0.327 nan 8.360 nan 0.000 0.452 72 Y N 1.245 121.588 120.300 0.073 0.000 2.181 72 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 72 Y C 1.929 177.869 175.900 0.066 0.000 1.146 72 Y CA 1.382 59.533 58.100 0.085 0.000 1.164 72 Y CB -0.066 38.500 38.460 0.176 0.000 0.982 72 Y HN -0.036 nan 8.280 nan 0.000 0.515 73 I N 0.054 120.691 120.570 0.111 0.000 2.315 73 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 73 I C 1.968 178.044 176.117 -0.070 0.000 1.117 73 I CA 1.621 62.921 61.300 -0.001 0.000 1.404 73 I CB -0.364 37.651 38.000 0.025 0.000 1.071 73 I HN 0.270 nan 8.210 nan 0.000 0.419 74 E N 0.410 120.598 120.200 -0.019 0.000 2.338 74 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 74 E C 2.073 178.622 176.600 -0.085 0.000 1.007 74 E CA 1.240 57.621 56.400 -0.031 0.000 0.849 74 E CB -0.046 29.657 29.700 0.006 0.000 0.774 74 E HN 0.502 nan 8.360 nan 0.000 0.506 75 S N -0.660 114.948 115.700 -0.154 0.000 2.561 75 S HA 0.058 4.528 4.470 -0.000 0.000 0.225 75 S C 1.742 176.229 174.600 -0.187 0.000 0.977 75 S CA 0.519 58.612 58.200 -0.178 0.000 0.926 75 S CB 0.156 63.211 63.200 -0.241 0.000 0.769 75 S HN 0.377 nan 8.310 nan 0.000 0.533 76 G N 0.926 109.610 108.800 -0.195 0.000 2.199 76 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 76 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 76 G C 0.014 174.816 174.900 -0.164 0.000 0.982 76 G CA 0.270 45.281 45.100 -0.149 0.000 0.632 76 G HN 0.602 nan 8.290 nan 0.000 0.529 77 K N 1.272 121.494 120.400 -0.297 0.000 2.237 77 K HA 0.404 4.724 4.320 -0.000 0.000 0.270 77 K C -2.452 174.109 176.600 -0.065 0.000 1.015 77 K CA -1.745 54.403 56.287 -0.233 0.000 0.949 77 K CB 0.674 32.978 32.500 -0.328 0.000 0.976 77 K HN 0.007 nan 8.250 nan 0.000 0.472 78 P HA -0.032 nan 4.420 nan 0.000 0.261 78 P C -0.750 176.918 177.300 0.612 0.000 1.183 78 P CA 0.576 63.850 63.100 0.291 0.000 0.761 78 P CB 0.316 32.009 31.700 -0.011 0.000 0.785 79 I N 3.748 124.668 120.570 0.583 0.000 2.647 79 I HA 0.550 4.720 4.170 -0.000 0.000 0.295 79 I C -1.143 174.982 176.117 0.013 0.000 1.078 79 I CA -1.394 60.137 61.300 0.386 0.000 1.048 79 I CB 1.685 39.855 38.000 0.282 0.000 1.239 79 I HN 0.248 nan 8.210 nan 0.000 0.421 80 M N 6.721 126.093 119.600 -0.381 0.000 2.259 80 M HA 0.591 5.071 4.480 -0.000 0.000 0.304 80 M C -0.995 174.987 176.300 -0.530 0.000 1.019 80 M CA -0.406 54.403 55.300 -0.819 0.000 0.922 80 M CB 1.708 33.343 32.600 -1.609 0.000 1.600 80 M HN 0.686 nan 8.290 nan 0.000 0.433 81 G N 5.214 113.709 108.800 -0.509 0.000 2.389 81 G HA2 0.748 4.708 3.960 -0.000 0.000 0.328 81 G HA3 0.748 4.708 3.960 -0.000 0.000 0.328 81 G C -1.231 173.356 174.900 -0.521 0.000 1.133 81 G CA -0.628 44.233 45.100 -0.397 0.000 0.891 81 G HN 0.761 nan 8.290 nan 0.000 0.485 82 I N 1.190 121.477 120.570 -0.472 0.000 2.499 82 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 82 I C 0.890 176.656 176.117 -0.585 0.000 1.048 82 I CA -0.532 60.425 61.300 -0.570 0.000 1.062 82 I CB 1.553 39.250 38.000 -0.505 0.000 1.238 82 I HN 0.875 nan 8.210 nan 0.000 0.426 83 C N 4.138 123.043 119.300 -0.659 0.000 1.976 83 C HA -0.303 4.157 4.460 -0.000 0.000 0.111 83 C C 2.268 177.005 174.990 -0.421 0.000 0.830 83 C CA 1.465 60.150 59.018 -0.555 0.000 0.873 83 C CB -1.436 25.962 27.740 -0.570 0.000 3.215 83 C HN 0.666 nan 8.230 nan 0.000 1.057 84 V N 2.410 122.041 119.914 -0.471 0.000 2.913 84 V HA 0.049 4.169 4.120 -0.000 0.000 0.260 84 V C 2.549 178.295 176.094 -0.580 0.000 1.098 84 V CA 2.676 64.653 62.300 -0.537 0.000 1.121 84 V CB -1.288 30.048 31.823 -0.812 0.000 0.714 84 V HN 1.065 nan 8.190 nan 0.000 0.487 85 G N 0.201 108.663 108.800 -0.565 0.000 2.422 85 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 85 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 85 G C 1.602 176.394 174.900 -0.181 0.000 1.146 85 G CA 1.109 46.011 45.100 -0.329 0.000 0.769 85 G HN 0.526 nan 8.290 nan 0.000 0.547 86 L N -0.269 120.819 121.223 -0.225 0.000 2.044 86 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 86 L C 2.861 179.801 176.870 0.116 0.000 1.075 86 L CA 1.386 56.169 54.840 -0.095 0.000 0.747 86 L CB -0.328 41.621 42.059 -0.184 0.000 0.903 86 L HN 0.238 nan 8.230 nan 0.000 0.435 87 Q N 0.144 119.949 119.800 0.008 0.000 2.291 87 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 87 Q C 2.148 178.391 176.000 0.406 0.000 0.976 87 Q CA 1.156 57.021 55.803 0.104 0.000 0.875 87 Q CB -0.289 28.480 28.738 0.052 0.000 0.927 87 Q HN 0.718 nan 8.270 nan 0.000 0.450 88 A N 0.738 123.680 122.820 0.204 0.000 2.172 88 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 88 A C 1.851 179.611 177.584 0.293 0.000 1.154 88 A CA 0.646 52.794 52.037 0.184 0.000 0.701 88 A CB -0.320 18.774 19.000 0.157 0.000 0.789 88 A HN 0.283 nan 8.150 nan 0.000 0.465 89 L N -1.590 119.818 121.223 0.308 0.000 2.492 89 L HA 0.113 4.453 4.340 -0.000 0.000 0.223 89 L C 0.484 177.374 176.870 0.033 0.000 1.132 89 L CA -0.195 54.771 54.840 0.210 0.000 0.850 89 L CB -0.254 41.813 42.059 0.013 0.000 0.966 89 L HN 0.283 nan 8.230 nan 0.000 0.454 90 F N -0.713 119.236 119.950 -0.001 0.000 2.291 90 F HA 0.319 4.846 4.527 -0.000 0.000 0.305 90 F C 1.575 177.349 175.800 -0.043 0.000 1.171 90 F CA -0.132 57.790 58.000 -0.130 0.000 1.090 90 F CB 0.185 39.012 39.000 -0.289 0.000 1.436 90 F HN -0.282 nan 8.300 nan 0.000 0.509 91 A N -0.134 122.744 122.820 0.096 0.000 2.015 91 A HA 0.424 4.744 4.320 -0.000 0.000 0.219 91 A C 1.039 178.661 177.584 0.064 0.000 1.163 91 A CA 1.556 53.632 52.037 0.064 0.000 0.646 91 A CB -0.990 18.040 19.000 0.051 0.000 0.806 91 A HN 1.125 nan 8.150 nan 0.000 0.448 92 G N -2.564 106.231 108.800 -0.008 0.000 2.350 92 G HA2 0.426 4.386 3.960 -0.000 0.000 0.276 92 G HA3 0.426 4.386 3.960 -0.000 0.000 0.276 92 G C -0.835 173.686 174.900 -0.631 0.000 1.313 92 G CA 0.261 45.215 45.100 -0.243 0.000 0.903 92 G HN 1.032 nan 8.290 nan 0.000 0.490 93 S N -1.838 113.349 115.700 -0.855 0.000 2.536 93 S HA 0.513 4.983 4.470 -0.000 0.000 0.271 93 S C 0.867 175.176 174.600 -0.484 0.000 1.134 93 S CA 0.362 58.106 58.200 -0.759 0.000 0.897 93 S CB 1.826 64.316 63.200 -1.183 0.000 1.094 93 S HN 1.458 nan 8.310 nan 0.000 0.473 94 V N 3.953 123.674 119.914 -0.321 0.000 2.568 94 V HA -0.107 4.013 4.120 -0.000 0.000 0.253 94 V C 2.441 178.350 176.094 -0.308 0.000 1.072 94 V CA 2.585 64.768 62.300 -0.195 0.000 1.084 94 V CB -0.703 31.105 31.823 -0.025 0.000 0.676 94 V HN 0.995 nan 8.190 nan 0.000 0.469 95 E N 0.090 119.852 120.200 -0.730 0.000 2.130 95 E HA -0.172 4.177 4.350 -0.000 0.000 0.196 95 E C 0.634 177.009 176.600 -0.375 0.000 0.998 95 E CA 1.436 57.279 56.400 -0.928 0.000 0.806 95 E CB 0.041 28.833 29.700 -1.514 0.000 0.738 95 E HN 0.577 nan 8.360 nan 0.000 0.459 96 S N 0.895 116.422 115.700 -0.289 0.000 2.259 96 S HA 0.211 4.681 4.470 -0.000 0.000 0.181 96 S C -2.216 172.320 174.600 -0.107 0.000 1.589 96 S CA -1.058 57.071 58.200 -0.119 0.000 1.234 96 S CB 1.581 64.780 63.200 -0.002 0.000 1.119 96 S HN 0.097 nan 8.310 nan 0.000 0.458 97 P HA -0.211 nan 4.420 nan 0.000 0.219 97 P C 0.801 178.077 177.300 -0.041 0.000 1.153 97 P CA 1.498 64.558 63.100 -0.066 0.000 0.865 97 P CB 0.108 31.784 31.700 -0.041 0.000 0.788 98 K N -1.612 118.774 120.400 -0.023 0.000 2.393 98 K HA 0.153 4.472 4.320 -0.000 0.000 0.193 98 K C 0.599 177.208 176.600 0.014 0.000 1.026 98 K CA 0.083 56.367 56.287 -0.004 0.000 1.064 98 K CB 0.131 32.631 32.500 -0.001 0.000 0.833 98 K HN 0.047 nan 8.250 nan 0.000 0.521 99 S N 1.346 117.062 115.700 0.026 0.000 2.565 99 S HA 0.181 4.651 4.470 -0.000 0.000 0.274 99 S C -0.006 174.655 174.600 0.102 0.000 1.309 99 S CA -0.396 57.852 58.200 0.080 0.000 1.043 99 S CB 1.198 64.514 63.200 0.194 0.000 0.939 99 S HN 0.101 nan 8.310 nan 0.000 0.504 100 T N 1.710 116.336 114.554 0.121 0.000 2.888 100 T HA 0.696 5.045 4.350 -0.000 0.000 0.284 100 T C 0.532 175.356 174.700 0.207 0.000 1.017 100 T CA -0.796 61.392 62.100 0.146 0.000 1.022 100 T CB 1.758 70.713 68.868 0.145 0.000 1.013 100 T HN 0.634 nan 8.240 nan 0.000 0.465 101 G N 0.080 109.024 108.800 0.239 0.000 2.753 101 G HA2 0.544 4.504 3.960 -0.000 0.000 0.285 101 G HA3 0.544 4.504 3.960 -0.000 0.000 0.285 101 G C 0.710 175.784 174.900 0.291 0.000 1.344 101 G CA -1.020 44.253 45.100 0.288 0.000 1.050 101 G HN 0.723 nan 8.290 nan 0.000 0.532 102 L N -0.602 120.809 121.223 0.312 0.000 2.362 102 L HA 0.025 4.365 4.340 -0.000 0.000 0.219 102 L C 1.369 178.188 176.870 -0.086 0.000 1.134 102 L CA 0.896 55.850 54.840 0.189 0.000 0.807 102 L CB -0.519 41.746 42.059 0.343 0.000 0.927 102 L HN 0.825 nan 8.230 nan 0.000 0.447 103 N N -1.801 116.899 118.700 -0.001 0.000 2.738 103 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 103 N C 0.499 175.904 175.510 -0.176 0.000 1.047 103 N CA 0.018 53.022 53.050 -0.078 0.000 0.707 103 N CB -0.771 37.683 38.487 -0.055 0.000 0.937 103 N HN 0.305 nan 8.380 nan 0.000 0.545 104 Y N -0.253 120.020 120.300 -0.045 0.000 2.420 104 Y HA 0.257 4.807 4.550 -0.000 0.000 0.292 104 Y C 0.953 176.804 175.900 -0.082 0.000 1.119 104 Y CA 0.674 58.793 58.100 0.032 0.000 1.229 104 Y CB 0.492 39.039 38.460 0.145 0.000 1.026 104 Y HN 0.232 nan 8.280 nan 0.000 0.554 105 I N 1.294 121.678 120.570 -0.311 0.000 2.411 105 I HA 0.103 4.272 4.170 -0.000 0.000 0.284 105 I C -0.567 175.344 176.117 -0.344 0.000 1.012 105 I CA -0.730 60.226 61.300 -0.573 0.000 1.119 105 I CB 1.335 38.505 38.000 -1.383 0.000 1.261 105 I HN 0.061 nan 8.210 nan 0.000 0.448 106 D N 6.390 126.749 120.400 -0.068 0.000 2.494 106 D HA -0.010 4.630 4.640 -0.000 0.000 0.249 106 D C -0.262 176.158 176.300 0.200 0.000 1.223 106 D CA 0.045 54.082 54.000 0.061 0.000 0.865 106 D CB -0.501 40.353 40.800 0.090 0.000 0.974 106 D HN 0.277 nan 8.370 nan 0.000 0.491 107 F N -2.033 117.963 119.950 0.078 0.000 2.650 107 F HA 0.654 5.181 4.527 -0.000 0.000 0.320 107 F C -0.386 175.492 175.800 0.131 0.000 1.091 107 F CA -1.583 56.470 58.000 0.088 0.000 0.962 107 F CB 1.336 40.382 39.000 0.076 0.000 1.363 107 F HN -0.414 nan 8.300 nan 0.000 0.482 108 K N 1.460 122.022 120.400 0.269 0.000 2.095 108 K HA 0.603 4.923 4.320 -0.000 0.000 0.252 108 K C -1.145 175.464 176.600 0.016 0.000 0.977 108 K CA -0.859 55.452 56.287 0.040 0.000 0.900 108 K CB 1.834 34.320 32.500 -0.024 0.000 1.060 108 K HN 0.566 nan 8.250 nan 0.000 0.449 109 L N 1.554 122.645 121.223 -0.220 0.000 2.397 109 L HA 0.152 4.492 4.340 -0.000 0.000 0.271 109 L C 0.355 177.175 176.870 -0.083 0.000 1.148 109 L CA 0.115 54.822 54.840 -0.222 0.000 0.825 109 L CB 1.016 42.862 42.059 -0.356 0.000 1.117 109 L HN 0.717 nan 8.230 nan 0.000 0.456 110 S N 2.107 117.795 115.700 -0.019 0.000 2.677 110 S HA 0.645 5.115 4.470 -0.000 0.000 0.304 110 S C -0.526 174.079 174.600 0.008 0.000 1.108 110 S CA -1.109 57.118 58.200 0.044 0.000 0.944 110 S CB 1.800 64.996 63.200 -0.005 0.000 1.127 110 S HN 0.580 nan 8.310 nan 0.000 0.511 111 R N 0.037 120.528 120.500 -0.014 0.000 2.441 111 R HA 0.402 4.742 4.340 -0.000 0.000 0.284 111 R C -0.901 175.196 176.300 -0.338 0.000 1.070 111 R CA -0.589 55.250 56.100 -0.435 0.000 1.047 111 R CB 0.235 30.218 30.300 -0.528 0.000 1.016 111 R HN 0.679 nan 8.270 nan 0.000 0.477 112 F N 1.452 121.184 119.950 -0.363 0.000 2.545 112 F HA -0.083 4.444 4.527 -0.000 0.000 0.348 112 F C 1.072 176.729 175.800 -0.237 0.000 1.163 112 F CA 0.173 58.009 58.000 -0.273 0.000 1.331 112 F CB 0.412 39.239 39.000 -0.287 0.000 1.138 112 F HN 0.561 nan 8.300 nan 0.000 0.602 113 D N 2.229 122.655 120.400 0.043 0.000 2.338 113 D HA 0.011 4.651 4.640 -0.000 0.000 0.255 113 D C 0.242 176.469 176.300 -0.122 0.000 1.237 113 D CA -0.485 53.483 54.000 -0.054 0.000 0.883 113 D CB 0.492 41.261 40.800 -0.052 0.000 1.087 113 D HN 0.441 nan 8.370 nan 0.000 0.485 114 D N 1.076 121.401 120.400 -0.125 0.000 2.328 114 D HA -0.095 4.545 4.640 -0.000 0.000 0.221 114 D C 1.206 177.417 176.300 -0.150 0.000 1.072 114 D CA 0.184 54.086 54.000 -0.163 0.000 0.850 114 D CB -0.248 40.466 40.800 -0.143 0.000 0.922 114 D HN 0.227 nan 8.370 nan 0.000 0.516 115 S N 0.031 115.659 115.700 -0.120 0.000 2.489 115 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 115 S C 1.475 176.015 174.600 -0.101 0.000 0.995 115 S CA 0.527 58.671 58.200 -0.093 0.000 0.934 115 S CB -0.428 62.733 63.200 -0.064 0.000 0.771 115 S HN 0.551 nan 8.310 nan 0.000 0.522 116 E N 1.053 121.165 120.200 -0.147 0.000 2.514 116 E HA 0.267 4.617 4.350 -0.000 0.000 0.215 116 E C 0.287 176.737 176.600 -0.251 0.000 0.946 116 E CA -0.474 55.845 56.400 -0.136 0.000 1.038 116 E CB 0.154 29.784 29.700 -0.117 0.000 1.069 116 E HN 0.663 nan 8.360 nan 0.000 0.503 117 K N -0.139 119.991 120.400 -0.450 0.000 2.578 117 K HA 0.496 4.816 4.320 -0.000 0.000 0.287 117 K C -3.310 172.945 176.600 -0.576 0.000 1.010 117 K CA -2.376 53.391 56.287 -0.868 0.000 0.889 117 K CB 1.389 32.992 32.500 -1.494 0.000 1.514 117 K HN -0.300 nan 8.250 nan 0.000 0.424 118 P HA 0.212 nan 4.420 nan 0.000 0.275 118 P C -1.129 176.059 177.300 -0.186 0.000 1.227 118 P CA -0.534 62.414 63.100 -0.254 0.000 0.781 118 P CB 0.986 32.595 31.700 -0.152 0.000 0.906 119 V N 4.881 124.701 119.914 -0.156 0.000 2.638 119 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 119 V C -2.064 173.952 176.094 -0.129 0.000 1.052 119 V CA -1.962 60.256 62.300 -0.137 0.000 0.885 119 V CB 2.111 33.850 31.823 -0.140 0.000 0.999 119 V HN 0.572 nan 8.190 nan 0.000 0.424 120 P HA 0.117 nan 4.420 nan 0.000 0.273 120 P C -0.606 176.559 177.300 -0.226 0.000 1.250 120 P CA -0.283 62.723 63.100 -0.156 0.000 0.793 120 P CB 1.033 32.668 31.700 -0.108 0.000 1.011 121 E N 1.194 121.145 120.200 -0.415 0.000 2.180 121 E HA 0.290 4.640 4.350 -0.000 0.000 0.283 121 E C -0.779 175.583 176.600 -0.398 0.000 1.061 121 E CA -0.370 55.589 56.400 -0.734 0.000 0.861 121 E CB -0.136 28.759 29.700 -1.341 0.000 1.056 121 E HN 0.315 nan 8.360 nan 0.000 0.407 122 I N 5.098 125.484 120.570 -0.306 0.000 2.448 122 I HA 0.573 4.743 4.170 -0.000 0.000 0.281 122 I C 0.306 176.315 176.117 -0.180 0.000 1.027 122 I CA -0.489 60.681 61.300 -0.216 0.000 1.111 122 I CB 1.410 39.374 38.000 -0.060 0.000 1.236 122 I HN 0.768 nan 8.210 nan 0.000 0.452 123 G N 4.732 113.326 108.800 -0.343 0.000 2.345 123 G HA2 0.167 4.127 3.960 -0.000 0.000 0.285 123 G HA3 0.167 4.127 3.960 -0.000 0.000 0.285 123 G C -2.483 172.290 174.900 -0.210 0.000 1.297 123 G CA -0.905 44.123 45.100 -0.120 0.000 0.875 123 G HN 0.336 nan 8.290 nan 0.000 0.506 124 W N 1.814 123.188 121.300 0.122 0.000 2.283 124 W HA 0.684 5.344 4.660 -0.000 0.000 0.317 124 W C 0.265 176.838 176.519 0.091 0.000 1.042 124 W CA -0.583 56.862 57.345 0.166 0.000 1.348 124 W CB 1.237 30.765 29.460 0.113 0.000 1.216 124 W HN 0.525 nan 8.180 nan 0.000 0.404 125 N N 1.208 120.089 118.700 0.300 0.000 2.525 125 N HA 0.560 5.300 4.740 -0.000 0.000 0.288 125 N C -0.684 174.967 175.510 0.236 0.000 1.242 125 N CA -0.385 52.715 53.050 0.083 0.000 0.905 125 N CB 1.912 40.189 38.487 -0.350 0.000 1.258 125 N HN 0.288 nan 8.380 nan 0.000 0.551 126 S N -0.987 114.782 115.700 0.115 0.000 2.632 126 S HA 0.559 5.029 4.470 -0.000 0.000 0.289 126 S C -0.705 173.977 174.600 0.136 0.000 1.115 126 S CA -0.738 57.555 58.200 0.154 0.000 0.889 126 S CB 0.481 63.685 63.200 0.007 0.000 1.116 126 S HN 0.526 nan 8.310 nan 0.000 0.486 127 C N 2.107 121.491 119.300 0.141 0.000 2.499 127 C HA 0.432 4.891 4.460 -0.000 0.000 0.386 127 C C 0.831 175.825 174.990 0.006 0.000 1.293 127 C CA -0.817 58.244 59.018 0.072 0.000 1.884 127 C CB -1.431 26.343 27.740 0.056 0.000 2.509 127 C HN 0.730 nan 8.230 nan 0.000 0.566 128 I N 5.536 126.116 120.570 0.018 0.000 2.710 128 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 128 I C -1.794 174.313 176.117 -0.016 0.000 1.181 128 I CA -0.887 60.425 61.300 0.020 0.000 1.430 128 I CB 0.271 38.291 38.000 0.033 0.000 1.367 128 I HN 0.381 nan 8.210 nan 0.000 0.577 129 P HA 0.029 nan 4.420 nan 0.000 0.264 129 P C -0.765 176.545 177.300 0.017 0.000 1.193 129 P CA 0.198 63.283 63.100 -0.025 0.000 0.763 129 P CB 0.615 32.314 31.700 -0.001 0.000 0.810 130 S N 1.224 116.939 115.700 0.024 0.000 2.588 130 S HA 0.287 4.757 4.470 -0.000 0.000 0.269 130 S C 0.522 175.150 174.600 0.047 0.000 1.157 130 S CA -0.720 57.504 58.200 0.040 0.000 0.824 130 S CB 1.322 64.548 63.200 0.043 0.000 1.126 130 S HN 0.236 nan 8.310 nan 0.000 0.464 131 E N 0.919 121.153 120.200 0.055 0.000 2.285 131 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 131 E C 0.063 176.702 176.600 0.065 0.000 0.997 131 E CA 0.697 57.130 56.400 0.056 0.000 0.845 131 E CB -0.306 29.426 29.700 0.054 0.000 0.782 131 E HN 0.604 nan 8.360 nan 0.000 0.491 132 N N 0.670 119.420 118.700 0.085 0.000 2.376 132 N HA 0.146 4.886 4.740 -0.000 0.000 0.249 132 N C 0.230 175.842 175.510 0.171 0.000 1.140 132 N CA 0.031 53.162 53.050 0.135 0.000 0.870 132 N CB 0.234 38.822 38.487 0.167 0.000 1.124 132 N HN 0.087 nan 8.380 nan 0.000 0.505 133 L N 0.269 121.512 121.223 0.034 0.000 2.475 133 L HA 0.363 4.702 4.340 -0.000 0.000 0.250 133 L C -0.053 176.764 176.870 -0.088 0.000 1.224 133 L CA -0.270 54.460 54.840 -0.184 0.000 0.821 133 L CB 0.214 42.177 42.059 -0.160 0.000 1.141 133 L HN 0.101 nan 8.230 nan 0.000 0.494 134 F N -3.028 116.943 119.950 0.036 0.000 2.713 134 F HA 0.449 4.976 4.527 -0.000 0.000 0.311 134 F C -0.324 175.442 175.800 -0.057 0.000 1.141 134 F CA -1.682 56.251 58.000 -0.112 0.000 0.939 134 F CB 0.397 39.298 39.000 -0.165 0.000 1.325 134 F HN 0.306 nan 8.300 nan 0.000 0.453 135 F N 1.127 121.124 119.950 0.079 0.000 3.100 135 F HA -0.004 4.523 4.527 -0.000 0.000 0.283 135 F C 1.501 177.329 175.800 0.046 0.000 0.900 135 F CA 1.362 59.344 58.000 -0.030 0.000 1.010 135 F CB -1.412 37.398 39.000 -0.315 0.000 1.029 135 F HN 1.459 nan 8.300 nan 0.000 0.637 136 G N -0.204 108.673 108.800 0.128 0.000 2.155 136 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 136 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 136 G C 0.285 175.288 174.900 0.172 0.000 0.983 136 G CA 0.016 45.202 45.100 0.142 0.000 0.676 136 G HN 0.502 nan 8.290 nan 0.000 0.528 137 L N 0.813 122.109 121.223 0.121 0.000 2.540 137 L HA 0.261 4.601 4.340 -0.000 0.000 0.276 137 L C 0.250 177.211 176.870 0.151 0.000 1.212 137 L CA 0.184 55.093 54.840 0.115 0.000 0.893 137 L CB 0.507 42.528 42.059 -0.063 0.000 1.138 137 L HN 0.173 nan 8.230 nan 0.000 0.491 138 D N 5.315 125.882 120.400 0.277 0.000 2.440 138 D HA 0.278 4.918 4.640 -0.000 0.000 0.239 138 D C -1.856 174.516 176.300 0.120 0.000 1.084 138 D CA -2.141 51.992 54.000 0.222 0.000 0.843 138 D CB 2.170 43.140 40.800 0.284 0.000 1.097 138 D HN 0.107 nan 8.370 nan 0.000 0.531 139 P HA -0.108 nan 4.420 nan 0.000 0.220 139 P C 0.358 177.323 177.300 -0.557 0.000 1.144 139 P CA 1.145 64.038 63.100 -0.345 0.000 0.800 139 P CB -0.001 31.358 31.700 -0.568 0.000 0.772 140 Y N -1.489 118.780 120.300 -0.051 0.000 2.468 140 Y HA 0.196 4.746 4.550 -0.000 0.000 0.268 140 Y C 1.147 176.934 175.900 -0.188 0.000 1.177 140 Y CA -0.052 57.915 58.100 -0.221 0.000 1.265 140 Y CB -0.029 38.067 38.460 -0.606 0.000 1.103 140 Y HN -0.145 nan 8.280 nan 0.000 0.522 141 K N 0.202 120.570 120.400 -0.054 0.000 2.303 141 K HA 0.583 4.902 4.320 -0.000 0.000 0.233 141 K C -0.254 176.189 176.600 -0.261 0.000 1.046 141 K CA -1.106 55.094 56.287 -0.145 0.000 0.895 141 K CB 1.480 33.885 32.500 -0.157 0.000 1.220 141 K HN -0.168 nan 8.250 nan 0.000 0.470 142 R N 0.850 121.138 120.500 -0.353 0.000 2.740 142 R HA 0.419 4.759 4.340 -0.000 0.000 0.282 142 R C -1.170 174.926 176.300 -0.340 0.000 0.969 142 R CA -0.716 55.274 56.100 -0.183 0.000 0.918 142 R CB 1.194 31.555 30.300 0.101 0.000 1.175 142 R HN 0.565 nan 8.270 nan 0.000 0.464 143 Y N 0.079 120.504 120.300 0.209 0.000 2.536 143 Y HA 0.308 4.858 4.550 -0.000 0.000 0.347 143 Y C -0.368 175.417 175.900 -0.192 0.000 1.000 143 Y CA -1.073 56.930 58.100 -0.161 0.000 1.051 143 Y CB 1.601 39.372 38.460 -1.149 0.000 1.259 143 Y HN 0.447 nan 8.280 nan 0.000 0.468 144 Y N 2.852 122.806 120.300 -0.577 0.000 2.365 144 Y HA 0.486 5.036 4.550 -0.000 0.000 0.340 144 Y C -1.577 174.126 175.900 -0.328 0.000 1.016 144 Y CA -1.061 56.541 58.100 -0.831 0.000 1.196 144 Y CB 0.095 37.858 38.460 -1.161 0.000 1.167 144 Y HN 0.418 nan 8.280 nan 0.000 0.509 145 F N 5.070 124.586 119.950 -0.723 0.000 2.480 145 F HA 0.587 5.114 4.527 -0.000 0.000 0.329 145 F C -0.561 174.877 175.800 -0.603 0.000 1.091 145 F CA -1.097 56.668 58.000 -0.392 0.000 0.972 145 F CB 1.900 40.855 39.000 -0.076 0.000 1.150 145 F HN 0.208 nan 8.300 nan 0.000 0.467 146 V N 4.598 124.490 119.914 -0.037 0.000 2.675 146 V HA 0.494 4.614 4.120 -0.000 0.000 0.266 146 V C -1.574 174.649 176.094 0.216 0.000 0.974 146 V CA -0.012 62.274 62.300 -0.024 0.000 0.890 146 V CB 0.292 32.069 31.823 -0.078 0.000 1.055 146 V HN 1.019 nan 8.190 nan 0.000 0.477 147 H N 1.675 120.729 119.070 -0.026 0.000 3.037 147 H HA 0.602 5.158 4.556 -0.000 0.000 0.336 147 H C -0.304 175.038 175.328 0.023 0.000 1.323 147 H CA -0.246 55.817 56.048 0.025 0.000 1.159 147 H CB 1.648 31.440 29.762 0.050 0.000 1.882 147 H HN -0.009 nan 8.280 nan 0.000 0.535 148 S N 0.404 116.056 115.700 -0.079 0.000 2.497 148 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 148 S C -0.342 173.856 174.600 -0.669 0.000 1.037 148 S CA 0.041 58.032 58.200 -0.348 0.000 0.920 148 S CB 0.204 63.128 63.200 -0.460 0.000 0.800 148 S HN 0.348 nan 8.310 nan 0.000 0.505 149 F N 1.096 120.928 119.950 -0.197 0.000 2.507 149 F HA 0.814 5.341 4.527 -0.000 0.000 0.327 149 F C 0.255 175.871 175.800 -0.305 0.000 1.068 149 F CA -0.891 56.928 58.000 -0.302 0.000 0.965 149 F CB 1.452 40.335 39.000 -0.195 0.000 1.192 149 F HN 0.023 nan 8.300 nan 0.000 0.476 150 A N 0.500 123.151 122.820 -0.282 0.000 2.586 150 A HA 0.782 5.102 4.320 -0.000 0.000 0.290 150 A C -1.704 175.764 177.584 -0.193 0.000 1.086 150 A CA -0.633 51.264 52.037 -0.233 0.000 0.665 150 A CB 0.575 19.304 19.000 -0.452 0.000 1.279 150 A HN 1.081 nan 8.150 nan 0.000 0.423 151 A N 1.184 123.941 122.820 -0.105 0.000 2.666 151 A HA 0.570 4.890 4.320 -0.000 0.000 0.312 151 A C -0.102 177.624 177.584 0.237 0.000 1.471 151 A CA -0.110 51.942 52.037 0.025 0.000 1.134 151 A CB -1.090 17.826 19.000 -0.139 0.000 1.129 151 A HN 0.612 nan 8.150 nan 0.000 0.539 152 I N 3.043 123.705 120.570 0.152 0.000 2.533 152 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 152 I C 0.000 176.178 176.117 0.101 0.000 1.109 152 I CA 0.259 61.639 61.300 0.133 0.000 1.412 152 I CB 0.689 38.702 38.000 0.021 0.000 1.396 152 I HN 0.487 nan 8.210 nan 0.000 0.543 153 L N 6.905 128.201 121.223 0.121 0.000 2.375 153 L HA 0.497 4.837 4.340 -0.000 0.000 0.268 153 L C -0.185 176.687 176.870 0.004 0.000 1.058 153 L CA -0.619 54.247 54.840 0.043 0.000 0.803 153 L CB 1.170 43.282 42.059 0.089 0.000 1.212 153 L HN 0.714 nan 8.230 nan 0.000 0.451 154 N N -1.909 116.769 118.700 -0.037 0.000 2.853 154 N HA 0.187 4.926 4.740 -0.000 0.000 0.258 154 N C -0.038 175.457 175.510 -0.025 0.000 1.444 154 N CA -0.676 52.355 53.050 -0.032 0.000 0.837 154 N CB 1.048 39.503 38.487 -0.054 0.000 1.489 154 N HN 0.312 nan 8.380 nan 0.000 0.529 155 S N -0.808 114.882 115.700 -0.016 0.000 2.374 155 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 155 S C 1.263 175.858 174.600 -0.008 0.000 1.037 155 S CA 1.957 60.154 58.200 -0.005 0.000 1.024 155 S CB -0.484 62.714 63.200 -0.003 0.000 0.861 155 S HN 0.674 nan 8.310 nan 0.000 0.456 156 E N 0.270 120.454 120.200 -0.027 0.000 2.051 156 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 156 E C 2.039 178.617 176.600 -0.037 0.000 0.991 156 E CA 1.130 57.512 56.400 -0.029 0.000 0.799 156 E CB -0.082 29.592 29.700 -0.043 0.000 0.748 156 E HN 0.445 nan 8.360 nan 0.000 0.449 157 K N 0.377 120.722 120.400 -0.092 0.000 2.097 157 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 157 K C 2.266 178.869 176.600 0.006 0.000 1.049 157 K CA 1.224 57.438 56.287 -0.121 0.000 0.933 157 K CB -0.020 32.272 32.500 -0.346 0.000 0.717 157 K HN 0.052 nan 8.250 nan 0.000 0.442 158 K N 1.046 121.459 120.400 0.022 0.000 2.057 158 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 158 K C 2.060 178.709 176.600 0.082 0.000 1.049 158 K CA 1.372 57.703 56.287 0.072 0.000 0.931 158 K CB -0.009 32.529 32.500 0.063 0.000 0.714 158 K HN 0.001 nan 8.250 nan 0.000 0.440 159 K N 0.643 121.077 120.400 0.057 0.000 2.057 159 K HA -0.057 4.262 4.320 -0.000 0.000 0.206 159 K C 1.812 178.460 176.600 0.080 0.000 1.050 159 K CA 1.164 57.489 56.287 0.064 0.000 0.935 159 K CB 0.016 32.542 32.500 0.043 0.000 0.715 159 K HN 0.064 nan 8.250 nan 0.000 0.439 160 N N 0.746 119.491 118.700 0.075 0.000 2.120 160 N HA -0.140 4.599 4.740 -0.000 0.000 0.188 160 N C 1.694 177.294 175.510 0.151 0.000 1.024 160 N CA 1.095 54.203 53.050 0.096 0.000 0.852 160 N CB -0.220 38.315 38.487 0.079 0.000 1.003 160 N HN 0.111 nan 8.380 nan 0.000 0.424 161 L N 0.716 122.040 121.223 0.168 0.000 2.046 161 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 161 L C 2.451 179.493 176.870 0.286 0.000 1.077 161 L CA 1.159 56.145 54.840 0.243 0.000 0.747 161 L CB -0.372 41.807 42.059 0.200 0.000 0.896 161 L HN 0.120 nan 8.230 nan 0.000 0.432 162 E N 0.757 121.076 120.200 0.197 0.000 2.031 162 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 162 E C 1.897 178.577 176.600 0.133 0.000 0.994 162 E CA 1.630 58.127 56.400 0.162 0.000 0.800 162 E CB -0.174 29.598 29.700 0.120 0.000 0.752 162 E HN 0.311 nan 8.360 nan 0.000 0.447 163 N N 0.709 119.478 118.700 0.115 0.000 2.364 163 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 163 N C 0.817 176.388 175.510 0.102 0.000 1.022 163 N CA 1.316 54.420 53.050 0.090 0.000 0.883 163 N CB -0.321 38.212 38.487 0.077 0.000 0.965 163 N HN 0.263 nan 8.380 nan 0.000 0.438 164 D N -0.705 119.793 120.400 0.163 0.000 2.363 164 D HA 0.116 4.755 4.640 -0.000 0.000 0.220 164 D C 0.979 177.340 176.300 0.102 0.000 0.994 164 D CA 0.620 54.739 54.000 0.197 0.000 0.890 164 D CB -0.078 40.953 40.800 0.383 0.000 0.906 164 D HN 0.345 nan 8.370 nan 0.000 0.530 165 G N -0.458 108.386 108.800 0.073 0.000 2.130 165 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.216 165 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.216 165 G C -0.336 174.477 174.900 -0.145 0.000 0.999 165 G CA -0.380 44.685 45.100 -0.058 0.000 0.686 165 G HN 0.159 nan 8.290 nan 0.000 0.515 166 W N 0.584 121.899 121.300 0.025 0.000 2.438 166 W HA 0.687 5.347 4.660 -0.000 0.000 0.324 166 W C 0.622 177.169 176.519 0.047 0.000 1.119 166 W CA -0.772 56.585 57.345 0.019 0.000 1.221 166 W CB 1.096 30.578 29.460 0.037 0.000 1.253 166 W HN -0.067 nan 8.180 nan 0.000 0.555 167 K N 3.602 124.166 120.400 0.274 0.000 2.185 167 K HA 0.474 4.794 4.320 -0.000 0.000 0.269 167 K C -0.761 176.116 176.600 0.462 0.000 0.987 167 K CA -0.757 55.701 56.287 0.285 0.000 0.865 167 K CB 1.272 33.865 32.500 0.154 0.000 1.090 167 K HN 0.173 nan 8.250 nan 0.000 0.450 168 I N 2.172 123.029 120.570 0.478 0.000 2.474 168 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 168 I C -0.151 176.185 176.117 0.365 0.000 1.005 168 I CA -0.890 60.676 61.300 0.443 0.000 1.113 168 I CB 1.561 39.730 38.000 0.281 0.000 1.289 168 I HN 0.611 nan 8.210 nan 0.000 0.436 169 A N 7.210 130.218 122.820 0.313 0.000 2.258 169 A HA 0.593 4.913 4.320 -0.000 0.000 0.316 169 A C -0.013 177.612 177.584 0.068 0.000 1.279 169 A CA -0.653 51.429 52.037 0.075 0.000 0.876 169 A CB 0.435 19.395 19.000 -0.067 0.000 1.170 169 A HN 0.704 nan 8.150 nan 0.000 0.520 170 K N 1.113 121.524 120.400 0.019 0.000 2.106 170 K HA 0.794 5.114 4.320 -0.000 0.000 0.246 170 K C -0.154 176.366 176.600 -0.133 0.000 0.987 170 K CA -0.336 55.916 56.287 -0.059 0.000 0.904 170 K CB 1.899 34.390 32.500 -0.015 0.000 1.071 170 K HN 0.770 nan 8.250 nan 0.000 0.453 171 A N 1.233 123.850 122.820 -0.339 0.000 2.594 171 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 171 A C -1.622 175.855 177.584 -0.178 0.000 1.105 171 A CA -0.744 51.101 52.037 -0.321 0.000 0.694 171 A CB 1.740 20.368 19.000 -0.619 0.000 1.291 171 A HN 0.652 nan 8.150 nan 0.000 0.410 172 K N 0.269 120.780 120.400 0.185 0.000 2.482 172 K HA 0.552 4.872 4.320 -0.000 0.000 0.251 172 K C -2.384 174.531 176.600 0.525 0.000 0.936 172 K CA -0.464 56.021 56.287 0.330 0.000 0.791 172 K CB 1.701 34.205 32.500 0.007 0.000 1.213 172 K HN 0.716 nan 8.250 nan 0.000 0.428 173 Y N 4.166 124.636 120.300 0.284 0.000 2.332 173 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 173 Y C 0.306 176.186 175.900 -0.032 0.000 0.978 173 Y CA 0.337 58.444 58.100 0.013 0.000 1.205 173 Y CB 1.095 39.279 38.460 -0.461 0.000 1.131 173 Y HN 0.959 nan 8.280 nan 0.000 0.462 174 G N 3.411 112.156 108.800 -0.091 0.000 2.536 174 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.280 174 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.280 174 G C 0.806 175.680 174.900 -0.042 0.000 1.152 174 G CA 0.617 45.641 45.100 -0.128 0.000 0.970 174 G HN 1.445 nan 8.290 nan 0.000 0.549 175 S N 0.342 116.002 115.700 -0.067 0.000 2.556 175 S HA 0.393 4.863 4.470 -0.000 0.000 0.216 175 S C 0.496 175.094 174.600 -0.003 0.000 0.970 175 S CA 0.984 59.159 58.200 -0.042 0.000 0.912 175 S CB 0.361 63.537 63.200 -0.039 0.000 0.790 175 S HN 0.677 nan 8.310 nan 0.000 0.504 176 E N 1.629 121.856 120.200 0.046 0.000 2.197 176 E HA 0.338 4.688 4.350 -0.000 0.000 0.281 176 E C -0.770 176.000 176.600 0.284 0.000 0.995 176 E CA -0.309 56.184 56.400 0.155 0.000 0.808 176 E CB 1.194 31.029 29.700 0.225 0.000 1.093 176 E HN 0.406 nan 8.360 nan 0.000 0.394 177 E N 3.173 123.513 120.200 0.234 0.000 2.216 177 E HA 0.413 4.763 4.350 -0.000 0.000 0.279 177 E C -1.202 175.617 176.600 0.365 0.000 0.997 177 E CA -0.485 56.057 56.400 0.236 0.000 0.817 177 E CB 0.678 30.434 29.700 0.094 0.000 1.096 177 E HN 0.370 nan 8.360 nan 0.000 0.393 178 F N 1.450 121.501 119.950 0.168 0.000 2.715 178 F HA 0.538 5.064 4.527 -0.000 0.000 0.318 178 F C -1.192 174.720 175.800 0.187 0.000 1.141 178 F CA -1.303 56.799 58.000 0.170 0.000 0.950 178 F CB 0.644 39.766 39.000 0.203 0.000 1.374 178 F HN 0.177 nan 8.300 nan 0.000 0.477 179 I N 2.403 123.084 120.570 0.186 0.000 2.379 179 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 179 I C 0.800 176.960 176.117 0.072 0.000 1.063 179 I CA -0.053 61.310 61.300 0.104 0.000 1.351 179 I CB 1.363 39.493 38.000 0.216 0.000 1.410 179 I HN 0.929 nan 8.210 nan 0.000 0.505 180 A N 5.710 128.529 122.820 -0.002 0.000 1.943 180 A HA 0.575 4.894 4.320 -0.000 0.000 0.213 180 A C 0.968 178.629 177.584 0.128 0.000 1.181 180 A CA 0.932 53.090 52.037 0.203 0.000 0.653 180 A CB 0.174 19.323 19.000 0.249 0.000 0.833 180 A HN 0.774 nan 8.150 nan 0.000 0.451 181 A N -1.332 121.584 122.820 0.161 0.000 2.605 181 A HA 0.578 4.897 4.320 -0.000 0.000 0.294 181 A C -0.772 177.086 177.584 0.456 0.000 1.062 181 A CA 0.098 52.256 52.037 0.202 0.000 0.682 181 A CB 0.675 19.859 19.000 0.307 0.000 1.278 181 A HN 1.397 nan 8.150 nan 0.000 0.410 182 V N -0.785 119.370 119.914 0.401 0.000 3.001 182 V HA 0.901 5.021 4.120 -0.000 0.000 0.314 182 V C -0.524 175.724 176.094 0.256 0.000 1.099 182 V CA -0.719 61.812 62.300 0.385 0.000 0.989 182 V CB 2.005 33.943 31.823 0.192 0.000 1.040 182 V HN 1.068 nan 8.190 nan 0.000 0.434 183 N N 1.647 120.380 118.700 0.053 0.000 2.537 183 N HA 0.402 5.142 4.740 -0.000 0.000 0.281 183 N C -1.829 173.565 175.510 -0.192 0.000 1.097 183 N CA -0.543 52.366 53.050 -0.235 0.000 0.964 183 N CB 2.025 39.804 38.487 -1.179 0.000 1.588 183 N HN 0.973 nan 8.380 nan 0.000 0.511 184 K N 3.934 124.144 120.400 -0.318 0.000 2.581 184 K HA 0.259 4.579 4.320 -0.000 0.000 0.249 184 K C -0.057 176.297 176.600 -0.410 0.000 0.966 184 K CA -0.310 55.611 56.287 -0.611 0.000 0.811 184 K CB 0.736 32.282 32.500 -1.591 0.000 1.223 184 K HN 0.748 nan 8.250 nan 0.000 0.438 185 N N 1.834 120.365 118.700 -0.282 0.000 1.276 185 N HA -0.341 4.399 4.740 -0.000 0.000 0.137 185 N C 0.438 175.895 175.510 -0.088 0.000 0.642 185 N CA 2.218 55.161 53.050 -0.178 0.000 0.986 185 N CB -1.103 37.266 38.487 -0.197 0.000 1.277 185 N HN 0.940 nan 8.380 nan 0.000 0.495 186 N N 1.985 120.641 118.700 -0.073 0.000 2.398 186 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 186 N C 0.342 175.899 175.510 0.079 0.000 1.122 186 N CA 0.324 53.385 53.050 0.019 0.000 0.866 186 N CB 0.120 38.596 38.487 -0.019 0.000 0.970 186 N HN 0.576 nan 8.380 nan 0.000 0.462 187 I N 1.178 121.746 120.570 -0.003 0.000 2.342 187 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 187 I C -0.951 175.266 176.117 0.167 0.000 1.010 187 I CA -0.760 60.565 61.300 0.042 0.000 1.308 187 I CB 0.763 38.739 38.000 -0.041 0.000 1.400 187 I HN -0.121 nan 8.210 nan 0.000 0.488 188 F N 6.806 126.716 119.950 -0.067 0.000 2.556 188 F HA 0.821 5.347 4.527 -0.000 0.000 0.314 188 F C -0.947 174.716 175.800 -0.228 0.000 1.106 188 F CA -0.965 56.950 58.000 -0.142 0.000 0.911 188 F CB 1.593 40.400 39.000 -0.321 0.000 1.190 188 F HN 0.452 nan 8.300 nan 0.000 0.448 189 A N 2.763 125.239 122.820 -0.574 0.000 2.574 189 A HA 0.748 5.068 4.320 -0.000 0.000 0.297 189 A C -1.127 176.001 177.584 -0.760 0.000 1.062 189 A CA -0.285 51.333 52.037 -0.697 0.000 0.686 189 A CB 1.458 20.279 19.000 -0.299 0.000 1.285 189 A HN 1.070 nan 8.150 nan 0.000 0.403 190 T N -0.994 113.034 114.554 -0.877 0.000 2.861 190 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 190 T C 0.411 174.610 174.700 -0.834 0.000 1.003 190 T CA -0.414 61.083 62.100 -1.004 0.000 0.977 190 T CB 1.810 69.690 68.868 -1.647 0.000 0.996 190 T HN 0.586 nan 8.240 nan 0.000 0.448 191 Q N 1.792 121.217 119.800 -0.625 0.000 2.187 191 Q HA 0.166 4.506 4.340 -0.000 0.000 0.199 191 Q C 0.359 176.010 176.000 -0.582 0.000 0.957 191 Q CA 0.816 56.371 55.803 -0.413 0.000 0.857 191 Q CB -0.401 28.329 28.738 -0.013 0.000 0.929 191 Q HN 0.806 nan 8.270 nan 0.000 0.453 192 F N -0.743 118.786 119.950 -0.703 0.000 2.368 192 F HA 0.437 4.964 4.527 -0.000 0.000 0.315 192 F C 0.007 175.462 175.800 -0.574 0.000 1.145 192 F CA -1.005 56.446 58.000 -0.916 0.000 1.095 192 F CB 0.275 38.388 39.000 -1.479 0.000 1.286 192 F HN -0.088 nan 8.300 nan 0.000 0.530 193 H N 2.817 121.872 119.070 -0.024 0.000 2.741 193 H HA 0.179 4.735 4.556 -0.000 0.000 0.282 193 H C -1.746 173.702 175.328 0.200 0.000 1.122 193 H CA -1.408 54.648 56.048 0.014 0.000 1.293 193 H CB 1.262 31.049 29.762 0.041 0.000 1.415 193 H HN 0.441 nan 8.280 nan 0.000 0.472 194 P HA -0.189 nan 4.420 nan 0.000 0.217 194 P C 1.300 178.734 177.300 0.223 0.000 1.150 194 P CA 1.118 64.412 63.100 0.324 0.000 0.832 194 P CB 0.408 32.231 31.700 0.205 0.000 0.787 195 E N 0.395 120.694 120.200 0.165 0.000 2.472 195 E HA -0.150 4.200 4.350 -0.000 0.000 0.200 195 E C 1.122 177.868 176.600 0.243 0.000 1.046 195 E CA 0.997 57.496 56.400 0.165 0.000 0.871 195 E CB -0.446 29.349 29.700 0.158 0.000 0.806 195 E HN 0.183 nan 8.360 nan 0.000 0.533 196 K N 0.455 120.984 120.400 0.215 0.000 2.387 196 K HA 0.236 4.556 4.320 -0.000 0.000 0.203 196 K C 0.332 177.056 176.600 0.207 0.000 1.030 196 K CA 0.027 56.392 56.287 0.130 0.000 1.099 196 K CB 0.954 33.422 32.500 -0.055 0.000 0.863 196 K HN -0.045 nan 8.250 nan 0.000 0.529 197 S N 0.843 116.731 115.700 0.314 0.000 2.552 197 S HA 0.272 4.742 4.470 -0.000 0.000 0.246 197 S C 0.817 175.706 174.600 0.482 0.000 1.019 197 S CA 0.082 58.564 58.200 0.470 0.000 1.045 197 S CB 0.365 63.789 63.200 0.374 0.000 0.784 197 S HN 0.546 nan 8.310 nan 0.000 0.453 198 G N 2.854 111.945 108.800 0.485 0.000 2.581 198 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.291 198 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.291 198 G C 0.806 175.871 174.900 0.276 0.000 1.277 198 G CA 0.770 46.136 45.100 0.444 0.000 0.959 198 G HN 0.409 nan 8.290 nan 0.000 0.554 199 K N 0.381 120.904 120.400 0.204 0.000 2.057 199 K HA 0.195 4.514 4.320 -0.000 0.000 0.207 199 K C 3.064 179.744 176.600 0.133 0.000 1.049 199 K CA 2.831 59.204 56.287 0.144 0.000 0.931 199 K CB -1.035 31.529 32.500 0.107 0.000 0.714 199 K HN 1.242 nan 8.250 nan 0.000 0.440 200 A N -0.011 122.875 122.820 0.111 0.000 1.948 200 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 200 A C 2.398 180.139 177.584 0.261 0.000 1.177 200 A CA 2.179 54.282 52.037 0.109 0.000 0.636 200 A CB -1.384 17.550 19.000 -0.111 0.000 0.815 200 A HN 0.503 nan 8.150 nan 0.000 0.449 201 G N -0.569 108.391 108.800 0.268 0.000 2.394 201 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.215 201 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.215 201 G C 1.544 176.567 174.900 0.206 0.000 1.165 201 G CA 0.836 46.129 45.100 0.322 0.000 0.784 201 G HN 0.428 nan 8.290 nan 0.000 0.535 202 L N 0.626 121.910 121.223 0.102 0.000 2.042 202 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 202 L C 2.753 179.687 176.870 0.107 0.000 1.076 202 L CA 0.919 55.776 54.840 0.027 0.000 0.749 202 L CB -0.455 41.586 42.059 -0.029 0.000 0.893 202 L HN 0.141 nan 8.230 nan 0.000 0.432 203 N N -0.169 118.623 118.700 0.152 0.000 2.069 203 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 203 N C 1.866 177.506 175.510 0.216 0.000 1.031 203 N CA 1.307 54.461 53.050 0.173 0.000 0.852 203 N CB -0.620 37.977 38.487 0.185 0.000 1.018 203 N HN 0.111 nan 8.380 nan 0.000 0.423 204 V N 1.780 121.859 119.914 0.276 0.000 2.343 204 V HA -0.170 3.949 4.120 -0.000 0.000 0.247 204 V C 2.243 178.511 176.094 0.289 0.000 1.051 204 V CA 1.200 63.698 62.300 0.330 0.000 1.036 204 V CB -0.408 31.657 31.823 0.404 0.000 0.654 204 V HN 0.249 nan 8.190 nan 0.000 0.451 205 I N -0.006 120.686 120.570 0.203 0.000 2.286 205 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 205 I C 2.564 178.761 176.117 0.134 0.000 1.115 205 I CA 1.913 63.302 61.300 0.149 0.000 1.392 205 I CB -0.352 37.680 38.000 0.053 0.000 1.065 205 I HN 0.437 nan 8.210 nan 0.000 0.418 206 E N 1.484 121.753 120.200 0.114 0.000 2.051 206 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 206 E C 1.950 178.627 176.600 0.128 0.000 0.991 206 E CA 1.474 57.930 56.400 0.093 0.000 0.799 206 E CB 0.054 29.820 29.700 0.109 0.000 0.748 206 E HN 0.394 nan 8.360 nan 0.000 0.449 207 N N 0.086 118.903 118.700 0.195 0.000 2.149 207 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 207 N C 1.630 177.327 175.510 0.313 0.000 1.019 207 N CA 1.153 54.356 53.050 0.255 0.000 0.857 207 N CB -0.484 38.194 38.487 0.318 0.000 0.997 207 N HN 0.260 nan 8.380 nan 0.000 0.426 208 F N 1.809 121.795 119.950 0.060 0.000 2.084 208 F HA 0.026 4.553 4.527 -0.000 0.000 0.296 208 F C 2.072 177.852 175.800 -0.034 0.000 1.111 208 F CA 0.908 58.803 58.000 -0.175 0.000 1.224 208 F CB -0.501 38.377 39.000 -0.203 0.000 0.991 208 F HN -0.107 nan 8.300 nan 0.000 0.471 209 L N 0.182 121.264 121.223 -0.235 0.000 2.127 209 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 209 L C 2.042 178.804 176.870 -0.180 0.000 1.089 209 L CA 1.572 56.184 54.840 -0.380 0.000 0.757 209 L CB -0.641 41.104 42.059 -0.524 0.000 0.899 209 L HN 0.140 nan 8.230 nan 0.000 0.434 210 K N -0.748 119.630 120.400 -0.037 0.000 2.374 210 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 210 K C -0.115 176.502 176.600 0.028 0.000 1.023 210 K CA -0.132 56.180 56.287 0.041 0.000 1.103 210 K CB 0.444 33.000 32.500 0.093 0.000 0.848 210 K HN 0.103 nan 8.250 nan 0.000 0.528 211 Q N 1.129 120.949 119.800 0.032 0.000 2.453 211 Q HA -0.198 4.142 4.340 -0.000 0.000 0.330 211 Q C -1.030 175.019 176.000 0.082 0.000 1.417 211 Q CA 1.186 57.066 55.803 0.128 0.000 0.902 211 Q CB -1.894 26.859 28.738 0.025 0.000 1.154 211 Q HN 0.642 nan 8.270 nan 0.000 0.395 212 Q N -2.265 117.603 119.800 0.113 0.000 2.379 212 Q HA 0.749 5.089 4.340 -0.000 0.000 0.278 212 Q C -0.780 175.186 176.000 -0.056 0.000 1.068 212 Q CA -0.905 54.900 55.803 0.003 0.000 0.816 212 Q CB 1.786 30.548 28.738 0.040 0.000 1.387 212 Q HN 0.020 nan 8.270 nan 0.000 0.413 213 S N 2.398 118.021 115.700 -0.127 0.000 2.150 213 S HA 0.362 4.831 4.470 -0.000 0.000 0.171 213 S C -2.367 172.210 174.600 -0.038 0.000 1.620 213 S CA -0.848 57.273 58.200 -0.131 0.000 1.190 213 S CB 0.219 63.282 63.200 -0.229 0.000 1.102 213 S HN 0.502 nan 8.310 nan 0.000 0.464 214 P HA 0.167 nan 4.420 nan 0.000 0.267 214 P C -2.335 174.979 177.300 0.022 0.000 1.201 214 P CA -0.824 62.289 63.100 0.022 0.000 0.775 214 P CB -0.121 31.607 31.700 0.047 0.000 0.854 215 P HA 0.193 nan 4.420 nan 0.000 0.277 215 P C -0.177 177.140 177.300 0.029 0.000 1.240 215 P CA -0.369 62.743 63.100 0.019 0.000 0.798 215 P CB 0.613 32.316 31.700 0.006 0.000 0.979 216 I N -0.506 120.099 120.570 0.057 0.000 2.634 216 I HA 0.308 4.477 4.170 -0.000 0.000 0.284 216 I C -2.225 173.874 176.117 -0.029 0.000 1.124 216 I CA -2.242 59.110 61.300 0.087 0.000 1.417 216 I CB -0.751 37.376 38.000 0.212 0.000 1.396 216 I HN 0.142 nan 8.210 nan 0.000 0.571 217 P HA -0.079 nan 4.420 nan 0.000 0.267 217 P C -0.477 176.537 177.300 -0.477 0.000 1.195 217 P CA -0.029 62.791 63.100 -0.466 0.000 0.773 217 P CB 0.271 31.439 31.700 -0.886 0.000 0.837 218 N N 2.194 120.696 118.700 -0.331 0.000 2.968 218 N HA 0.032 4.772 4.740 -0.000 0.000 0.271 218 N C -0.811 174.584 175.510 -0.191 0.000 1.174 218 N CA -0.066 52.874 53.050 -0.182 0.000 1.096 218 N CB -0.474 37.952 38.487 -0.102 0.000 1.403 218 N HN 0.306 nan 8.380 nan 0.000 0.522 219 Y N 0.506 120.753 120.300 -0.089 0.000 2.411 219 Y HA -0.016 4.534 4.550 -0.000 0.000 0.333 219 Y C 1.609 177.425 175.900 -0.139 0.000 1.186 219 Y CA -0.404 57.609 58.100 -0.146 0.000 1.381 219 Y CB 0.596 38.879 38.460 -0.294 0.000 1.273 219 Y HN 0.298 nan 8.280 nan 0.000 0.546 220 S N 1.105 116.833 115.700 0.047 0.000 2.593 220 S HA 0.343 4.812 4.470 -0.000 0.000 0.269 220 S C 1.165 175.744 174.600 -0.035 0.000 1.334 220 S CA -0.494 57.704 58.200 -0.003 0.000 1.015 220 S CB 1.417 64.614 63.200 -0.006 0.000 0.912 220 S HN 0.875 nan 8.310 nan 0.000 0.541 221 A N 1.292 124.092 122.820 -0.033 0.000 2.024 221 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 221 A C 2.124 179.674 177.584 -0.055 0.000 1.164 221 A CA 1.402 53.413 52.037 -0.044 0.000 0.643 221 A CB -0.728 18.259 19.000 -0.022 0.000 0.806 221 A HN 0.868 nan 8.150 nan 0.000 0.451 222 E N 0.219 120.391 120.200 -0.045 0.000 2.047 222 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 222 E C 1.841 178.399 176.600 -0.069 0.000 0.987 222 E CA 1.411 57.783 56.400 -0.046 0.000 0.799 222 E CB -0.508 29.172 29.700 -0.033 0.000 0.752 222 E HN 0.801 nan 8.360 nan 0.000 0.449 223 E N 1.014 121.168 120.200 -0.077 0.000 2.110 223 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 223 E C 2.097 178.550 176.600 -0.246 0.000 0.988 223 E CA 0.893 57.223 56.400 -0.116 0.000 0.804 223 E CB 0.008 29.686 29.700 -0.037 0.000 0.745 223 E HN 0.172 nan 8.360 nan 0.000 0.458 224 K N 0.668 120.879 120.400 -0.315 0.000 2.026 224 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 224 K C 2.193 178.708 176.600 -0.141 0.000 1.048 224 K CA 1.402 57.411 56.287 -0.463 0.000 0.929 224 K CB -0.094 32.158 32.500 -0.414 0.000 0.713 224 K HN -0.050 nan 8.250 nan 0.000 0.439 225 E N 1.245 121.394 120.200 -0.084 0.000 2.209 225 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 225 E C 1.645 178.222 176.600 -0.039 0.000 0.993 225 E CA 0.862 57.243 56.400 -0.032 0.000 0.819 225 E CB -0.040 29.641 29.700 -0.031 0.000 0.745 225 E HN 0.138 nan 8.360 nan 0.000 0.477 226 L N -0.629 120.553 121.223 -0.068 0.000 2.202 226 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 226 L C 1.788 178.617 176.870 -0.069 0.000 1.083 226 L CA 1.118 55.917 54.840 -0.068 0.000 0.790 226 L CB 0.010 42.024 42.059 -0.075 0.000 0.942 226 L HN 0.223 nan 8.230 nan 0.000 0.452 227 L N -0.446 120.731 121.223 -0.075 0.000 2.529 227 L HA 0.113 4.453 4.340 -0.000 0.000 0.223 227 L C 1.252 178.158 176.870 0.060 0.000 1.113 227 L CA -0.171 54.644 54.840 -0.042 0.000 0.861 227 L CB -0.385 41.603 42.059 -0.118 0.000 1.012 227 L HN 0.299 nan 8.230 nan 0.000 0.461 228 M N -0.719 118.951 119.600 0.117 0.000 2.232 228 M HA 0.153 4.633 4.480 -0.000 0.000 0.321 228 M C 0.052 176.322 176.300 -0.050 0.000 1.101 228 M CA 0.301 55.660 55.300 0.100 0.000 1.181 228 M CB 0.357 33.053 32.600 0.159 0.000 1.432 228 M HN -0.086 nan 8.290 nan 0.000 0.457 229 N N 1.865 120.483 118.700 -0.137 0.000 2.458 229 N HA 0.054 4.793 4.740 -0.000 0.000 0.270 229 N C -0.642 174.700 175.510 -0.281 0.000 1.102 229 N CA -0.136 52.716 53.050 -0.330 0.000 0.967 229 N CB 0.890 39.011 38.487 -0.610 0.000 1.078 229 N HN 0.803 nan 8.380 nan 0.000 0.471 230 D N 2.634 122.895 120.400 -0.231 0.000 2.398 230 D HA -0.028 4.612 4.640 -0.000 0.000 0.210 230 D C -0.100 176.222 176.300 0.037 0.000 1.094 230 D CA -0.122 53.852 54.000 -0.043 0.000 0.839 230 D CB -0.484 40.297 40.800 -0.032 0.000 0.963 230 D HN 0.561 nan 8.370 nan 0.000 0.506 231 Y N 0.416 120.708 120.300 -0.013 0.000 4.177 231 Y HA -0.292 4.258 4.550 -0.000 0.000 0.227 231 Y C 0.476 176.343 175.900 -0.056 0.000 1.154 231 Y CA 0.529 58.623 58.100 -0.011 0.000 1.887 231 Y CB -2.513 35.949 38.460 0.002 0.000 1.594 231 Y HN 0.184 nan 8.280 nan 0.000 0.668 232 S N -0.225 115.450 115.700 -0.043 0.000 2.592 232 S HA 0.371 4.841 4.470 -0.000 0.000 0.271 232 S C 0.710 175.218 174.600 -0.153 0.000 1.326 232 S CA -0.184 57.957 58.200 -0.098 0.000 1.024 232 S CB 1.384 64.528 63.200 -0.092 0.000 0.921 232 S HN 0.542 nan 8.310 nan 0.000 0.527 233 N N 0.770 119.300 118.700 -0.283 0.000 2.725 233 N HA -0.273 4.467 4.740 -0.000 0.000 0.251 233 N C -0.483 174.914 175.510 -0.189 0.000 1.031 233 N CA 1.106 53.953 53.050 -0.339 0.000 0.720 233 N CB -2.321 36.098 38.487 -0.113 0.000 0.930 233 N HN 0.895 nan 8.380 nan 0.000 0.543 234 Y N -3.873 116.454 120.300 0.045 0.000 4.819 234 Y HA -0.318 4.232 4.550 -0.000 0.000 0.230 234 Y C 1.806 177.836 175.900 0.217 0.000 1.009 234 Y CA 1.378 59.516 58.100 0.063 0.000 1.971 234 Y CB -1.642 36.778 38.460 -0.066 0.000 1.587 234 Y HN 0.716 nan 8.280 nan 0.000 0.587 235 G N -0.822 108.091 108.800 0.187 0.000 2.184 235 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 235 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 235 G C -0.103 174.789 174.900 -0.013 0.000 0.995 235 G CA -0.118 44.985 45.100 0.004 0.000 0.651 235 G HN 0.365 nan 8.290 nan 0.000 0.511 236 L N 2.221 123.493 121.223 0.082 0.000 2.325 236 L HA 0.602 4.942 4.340 -0.000 0.000 0.279 236 L C 1.525 178.411 176.870 0.027 0.000 1.054 236 L CA -0.414 54.470 54.840 0.073 0.000 0.804 236 L CB 1.395 43.523 42.059 0.115 0.000 1.200 236 L HN 0.350 nan 8.230 nan 0.000 0.436 237 T N -0.608 113.978 114.554 0.054 0.000 2.701 237 T HA 0.208 4.558 4.350 -0.000 0.000 0.303 237 T C 0.399 175.043 174.700 -0.093 0.000 1.030 237 T CA -0.817 61.258 62.100 -0.041 0.000 1.010 237 T CB 0.489 69.332 68.868 -0.042 0.000 1.007 237 T HN 0.333 nan 8.240 nan 0.000 0.532 238 R N 1.724 122.058 120.500 -0.276 0.000 2.248 238 R HA 0.242 4.582 4.340 -0.000 0.000 0.337 238 R C 0.366 176.558 176.300 -0.179 0.000 1.085 238 R CA -0.274 55.487 56.100 -0.564 0.000 0.934 238 R CB -0.218 29.315 30.300 -1.277 0.000 1.034 238 R HN 0.679 nan 8.270 nan 0.000 0.465 239 R N 3.774 124.330 120.500 0.092 0.000 2.351 239 R HA 0.118 4.458 4.340 -0.000 0.000 0.318 239 R C -0.239 176.253 176.300 0.320 0.000 1.055 239 R CA -0.081 56.158 56.100 0.232 0.000 0.968 239 R CB 0.379 30.872 30.300 0.322 0.000 0.974 239 R HN 0.353 nan 8.270 nan 0.000 0.439 240 I N 7.524 128.219 120.570 0.209 0.000 2.330 240 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 240 I C 0.182 176.391 176.117 0.154 0.000 1.001 240 I CA -0.711 60.733 61.300 0.240 0.000 1.193 240 I CB 1.046 39.093 38.000 0.077 0.000 1.345 240 I HN 0.587 nan 8.210 nan 0.000 0.461 241 I N 4.997 125.703 120.570 0.227 0.000 2.412 241 I HA 0.580 4.750 4.170 -0.000 0.000 0.296 241 I C 0.411 176.604 176.117 0.128 0.000 0.987 241 I CA -0.702 60.684 61.300 0.142 0.000 1.180 241 I CB 1.931 40.022 38.000 0.151 0.000 1.340 241 I HN 0.614 nan 8.210 nan 0.000 0.455 242 A N 5.538 128.330 122.820 -0.048 0.000 2.288 242 A HA 0.562 4.882 4.320 -0.000 0.000 0.320 242 A C -0.721 176.837 177.584 -0.042 0.000 1.217 242 A CA -0.408 51.513 52.037 -0.193 0.000 0.840 242 A CB 1.115 19.640 19.000 -0.791 0.000 1.179 242 A HN 0.856 nan 8.150 nan 0.000 0.504 243 C N 3.985 123.324 119.300 0.065 0.000 2.493 243 C HA 0.907 5.367 4.460 -0.000 0.000 0.326 243 C C -0.664 174.414 174.990 0.147 0.000 1.200 243 C CA -0.530 58.534 59.018 0.076 0.000 1.739 243 C CB 0.164 27.948 27.740 0.074 0.000 2.300 243 C HN 1.023 nan 8.230 nan 0.000 0.500 244 L N 3.091 124.349 121.223 0.058 0.000 2.424 244 L HA 0.740 5.080 4.340 -0.000 0.000 0.258 244 L C -0.963 175.924 176.870 0.027 0.000 0.995 244 L CA -0.409 54.453 54.840 0.036 0.000 0.821 244 L CB 1.571 43.627 42.059 -0.006 0.000 1.383 244 L HN 0.400 nan 8.230 nan 0.000 0.410 245 D N 1.130 121.529 120.400 -0.002 0.000 2.253 245 D HA 0.550 5.190 4.640 -0.000 0.000 0.249 245 D C -0.780 175.554 176.300 0.056 0.000 1.049 245 D CA -0.147 53.873 54.000 0.032 0.000 0.929 245 D CB 2.779 43.587 40.800 0.013 0.000 1.176 245 D HN 0.391 nan 8.370 nan 0.000 0.437 246 V N 2.636 122.598 119.914 0.078 0.000 2.380 246 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 246 V C 0.070 176.193 176.094 0.047 0.000 1.015 246 V CA -0.643 61.702 62.300 0.075 0.000 0.834 246 V CB 1.187 33.071 31.823 0.102 0.000 1.009 246 V HN 0.369 nan 8.190 nan 0.000 0.428 247 R N 2.104 122.625 120.500 0.035 0.000 2.902 247 R HA 0.837 5.177 4.340 -0.000 0.000 0.258 247 R C -0.695 175.618 176.300 0.023 0.000 1.071 247 R CA -0.866 55.251 56.100 0.028 0.000 1.024 247 R CB 1.736 32.052 30.300 0.028 0.000 1.184 247 R HN 0.564 nan 8.270 nan 0.000 0.492 248 T N 1.420 115.985 114.554 0.020 0.000 2.791 248 T HA 0.194 4.544 4.350 -0.000 0.000 0.288 248 T C -0.124 174.585 174.700 0.016 0.000 0.999 248 T CA -1.094 61.015 62.100 0.015 0.000 0.952 248 T CB 0.625 69.501 68.868 0.013 0.000 0.938 248 T HN 0.631 nan 8.240 nan 0.000 0.444 249 N N 2.010 120.719 118.700 0.015 0.000 2.381 249 N HA 0.125 4.865 4.740 -0.000 0.000 0.289 249 N C 0.688 176.205 175.510 0.013 0.000 1.288 249 N CA -0.376 52.684 53.050 0.016 0.000 0.960 249 N CB 0.009 38.506 38.487 0.017 0.000 1.116 249 N HN 0.283 nan 8.380 nan 0.000 0.557 250 D N -0.962 119.446 120.400 0.012 0.000 2.092 250 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 250 D C 1.551 177.856 176.300 0.008 0.000 0.994 250 D CA 1.585 55.591 54.000 0.010 0.000 0.828 250 D CB -0.126 40.680 40.800 0.010 0.000 0.963 250 D HN 0.605 nan 8.370 nan 0.000 0.450 251 Q N -1.192 118.613 119.800 0.008 0.000 2.488 251 Q HA 0.144 4.484 4.340 -0.000 0.000 0.211 251 Q C 1.229 177.231 176.000 0.005 0.000 0.967 251 Q CA 0.738 56.545 55.803 0.006 0.000 0.926 251 Q CB 0.536 29.277 28.738 0.006 0.000 0.992 251 Q HN 0.387 nan 8.270 nan 0.000 0.506 252 G N 0.968 109.771 108.800 0.006 0.000 2.176 252 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.232 252 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.232 252 G C -0.297 174.605 174.900 0.002 0.000 0.986 252 G CA -0.007 45.095 45.100 0.004 0.000 0.643 252 G HN 0.279 nan 8.290 nan 0.000 0.522 253 D N 0.035 120.437 120.400 0.004 0.000 2.358 253 D HA 0.510 5.150 4.640 -0.000 0.000 0.244 253 D C 0.411 176.715 176.300 0.006 0.000 1.163 253 D CA -0.142 53.860 54.000 0.003 0.000 0.945 253 D CB 1.196 41.999 40.800 0.005 0.000 1.152 253 D HN 0.058 nan 8.370 nan 0.000 0.451 254 L N 0.959 122.184 121.223 0.003 0.000 2.292 254 L HA 0.338 4.677 4.340 -0.000 0.000 0.284 254 L C 0.187 177.066 176.870 0.014 0.000 1.065 254 L CA -0.414 54.431 54.840 0.007 0.000 0.806 254 L CB 1.310 43.368 42.059 -0.001 0.000 1.175 254 L HN 0.217 nan 8.230 nan 0.000 0.431 255 V N 1.611 121.537 119.914 0.021 0.000 3.160 255 V HA 0.816 4.935 4.120 -0.000 0.000 0.310 255 V C -0.440 175.669 176.094 0.026 0.000 1.181 255 V CA -0.800 61.516 62.300 0.027 0.000 1.047 255 V CB 1.905 33.747 31.823 0.032 0.000 1.068 255 V HN 0.335 nan 8.190 nan 0.000 0.441 277 G N 0.419 109.215 108.800 -0.008 0.000 2.708 277 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.210 277 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.210 277 G C 1.195 176.096 174.900 0.002 0.000 1.141 277 G CA 0.807 45.904 45.100 -0.005 0.000 0.788 277 G HN 0.444 nan 8.290 nan 0.000 0.531 278 K N 0.501 120.905 120.400 0.007 0.000 2.044 278 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 278 K C -0.123 176.484 176.600 0.011 0.000 1.045 278 K CA 0.938 57.232 56.287 0.012 0.000 0.951 278 K CB -0.454 32.059 32.500 0.022 0.000 0.738 278 K HN 0.207 nan 8.250 nan 0.000 0.443 279 P HA -0.097 nan 4.420 nan 0.000 0.218 279 P C 1.561 178.935 177.300 0.123 0.000 1.149 279 P CA 1.103 64.255 63.100 0.086 0.000 0.817 279 P CB 0.074 31.845 31.700 0.118 0.000 0.785 280 V N 0.710 120.660 119.914 0.061 0.000 2.270 280 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 280 V C 2.919 179.024 176.094 0.018 0.000 1.043 280 V CA 1.956 64.284 62.300 0.047 0.000 1.014 280 V CB -1.412 30.409 31.823 -0.004 0.000 0.645 280 V HN 0.093 nan 8.190 nan 0.000 0.447 281 Q N -0.817 118.979 119.800 -0.007 0.000 2.124 281 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 281 Q C 2.214 178.170 176.000 -0.073 0.000 0.977 281 Q CA 1.617 57.406 55.803 -0.023 0.000 0.850 281 Q CB -0.288 28.442 28.738 -0.014 0.000 0.901 281 Q HN 0.484 nan 8.270 nan 0.000 0.429 282 L N 0.300 121.446 121.223 -0.129 0.000 2.093 282 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 282 L C 2.076 178.630 176.870 -0.526 0.000 1.085 282 L CA 1.909 56.545 54.840 -0.340 0.000 0.755 282 L CB -0.684 41.159 42.059 -0.361 0.000 0.904 282 L HN 0.136 nan 8.230 nan 0.000 0.435 283 A N -1.353 121.315 122.820 -0.253 0.000 1.930 283 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 283 A C 2.174 179.761 177.584 0.004 0.000 1.175 283 A CA 1.607 53.569 52.037 -0.124 0.000 0.627 283 A CB -0.469 18.593 19.000 0.104 0.000 0.815 283 A HN 0.625 nan 8.150 nan 0.000 0.443 284 Q N -0.581 119.221 119.800 0.005 0.000 2.084 284 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 284 Q C 2.202 178.266 176.000 0.107 0.000 0.978 284 Q CA 1.682 57.528 55.803 0.072 0.000 0.844 284 Q CB -0.198 28.561 28.738 0.035 0.000 0.898 284 Q HN 0.724 nan 8.270 nan 0.000 0.426 285 K N 0.450 120.860 120.400 0.016 0.000 2.026 285 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 285 K C 1.885 178.564 176.600 0.130 0.000 1.048 285 K CA 1.260 57.569 56.287 0.037 0.000 0.929 285 K CB -0.174 32.315 32.500 -0.019 0.000 0.713 285 K HN 0.296 nan 8.250 nan 0.000 0.439 286 Y N -0.811 119.488 120.300 -0.002 0.000 2.128 286 Y HA -0.336 4.213 4.550 -0.000 0.000 0.284 286 Y C 2.508 178.376 175.900 -0.053 0.000 1.154 286 Y CA 1.091 59.148 58.100 -0.072 0.000 1.149 286 Y CB -0.381 38.028 38.460 -0.085 0.000 0.976 286 Y HN 0.229 nan 8.280 nan 0.000 0.505 287 Y N 1.490 121.840 120.300 0.083 0.000 2.097 287 Y HA -0.344 4.205 4.550 -0.000 0.000 0.282 287 Y C 2.348 178.249 175.900 0.003 0.000 1.152 287 Y CA 1.901 60.013 58.100 0.020 0.000 1.136 287 Y CB -0.735 37.732 38.460 0.012 0.000 0.975 287 Y HN 0.155 nan 8.280 nan 0.000 0.498 288 Q N -0.234 119.506 119.800 -0.100 0.000 2.170 288 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 288 Q C 1.578 177.471 176.000 -0.179 0.000 0.976 288 Q CA 1.724 57.410 55.803 -0.195 0.000 0.858 288 Q CB -0.142 28.581 28.738 -0.026 0.000 0.907 288 Q HN 0.649 nan 8.270 nan 0.000 0.433 289 Q N -0.943 118.791 119.800 -0.110 0.000 2.253 289 Q HA 0.145 4.485 4.340 -0.000 0.000 0.210 289 Q C 0.469 176.356 176.000 -0.188 0.000 0.907 289 Q CA 0.359 56.092 55.803 -0.117 0.000 0.948 289 Q CB 0.692 29.391 28.738 -0.065 0.000 1.033 289 Q HN 0.497 nan 8.270 nan 0.000 0.471 290 G N 0.517 109.173 108.800 -0.240 0.000 2.157 290 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.239 290 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.239 290 G C 0.310 175.056 174.900 -0.257 0.000 0.982 290 G CA -0.153 44.789 45.100 -0.263 0.000 0.650 290 G HN 0.564 nan 8.290 nan 0.000 0.527 291 A N 0.289 122.979 122.820 -0.218 0.000 2.546 291 A HA 0.461 4.781 4.320 -0.000 0.000 0.243 291 A C 1.214 178.748 177.584 -0.083 0.000 1.063 291 A CA 1.013 52.940 52.037 -0.185 0.000 0.757 291 A CB 0.265 19.179 19.000 -0.142 0.000 0.991 291 A HN 0.230 nan 8.150 nan 0.000 0.503 292 D N 0.981 121.338 120.400 -0.071 0.000 2.323 292 D HA 0.072 4.712 4.640 -0.000 0.000 0.209 292 D C 0.343 176.778 176.300 0.226 0.000 0.973 292 D CA 1.178 55.190 54.000 0.020 0.000 0.874 292 D CB 0.410 41.222 40.800 0.019 0.000 0.930 292 D HN 0.768 nan 8.370 nan 0.000 0.521 293 E N -0.774 119.501 120.200 0.126 0.000 2.388 293 E HA 0.342 4.692 4.350 -0.000 0.000 0.280 293 E C -1.638 174.987 176.600 0.041 0.000 1.019 293 E CA -0.526 55.933 56.400 0.099 0.000 0.806 293 E CB 3.004 32.777 29.700 0.121 0.000 1.246 293 E HN -0.305 nan 8.360 nan 0.000 0.443 294 V N 1.907 121.826 119.914 0.009 0.000 2.483 294 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 294 V C -0.538 175.452 176.094 -0.174 0.000 1.027 294 V CA -0.544 61.702 62.300 -0.091 0.000 0.855 294 V CB 1.896 33.635 31.823 -0.141 0.000 0.995 294 V HN 0.661 nan 8.190 nan 0.000 0.424 295 T N 5.835 120.283 114.554 -0.176 0.000 2.771 295 T HA 0.620 4.970 4.350 -0.000 0.000 0.281 295 T C -0.619 173.955 174.700 -0.210 0.000 0.982 295 T CA -0.020 62.020 62.100 -0.101 0.000 0.978 295 T CB 0.410 69.279 68.868 0.002 0.000 0.930 295 T HN 0.297 nan 8.240 nan 0.000 0.447 296 F N 2.864 122.845 119.950 0.053 0.000 2.404 296 F HA 0.450 4.977 4.527 -0.000 0.000 0.354 296 F C 0.238 176.049 175.800 0.017 0.000 1.122 296 F CA -1.008 57.016 58.000 0.039 0.000 1.080 296 F CB 0.810 39.829 39.000 0.031 0.000 1.131 296 F HN 0.247 nan 8.300 nan 0.000 0.471 297 L N 4.064 125.387 121.223 0.166 0.000 2.270 297 L HA 0.239 4.579 4.340 -0.000 0.000 0.286 297 L C 0.290 177.216 176.870 0.094 0.000 1.059 297 L CA -0.171 54.726 54.840 0.094 0.000 0.839 297 L CB 0.404 42.498 42.059 0.059 0.000 1.221 297 L HN 0.632 nan 8.230 nan 0.000 0.431 298 N N 5.760 124.502 118.700 0.071 0.000 2.448 298 N HA 0.196 4.936 4.740 -0.000 0.000 0.250 298 N C -0.179 175.351 175.510 0.034 0.000 1.136 298 N CA -0.429 52.654 53.050 0.055 0.000 0.953 298 N CB 0.439 38.947 38.487 0.035 0.000 1.251 298 N HN 0.547 nan 8.380 nan 0.000 0.502 299 I N 1.588 122.181 120.570 0.038 0.000 2.661 299 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 299 I C 0.073 176.206 176.117 0.028 0.000 1.189 299 I CA -0.726 60.591 61.300 0.028 0.000 1.123 299 I CB 0.160 38.177 38.000 0.027 0.000 1.709 299 I HN 0.221 nan 8.210 nan 0.000 0.566 305 C N 2.227 121.526 119.300 -0.001 0.000 2.319 305 C HA 0.590 5.050 4.460 -0.000 0.000 0.335 305 C C -2.152 172.832 174.990 -0.009 0.000 1.274 305 C CA -1.462 57.551 59.018 -0.007 0.000 1.806 305 C CB 0.322 28.056 27.740 -0.010 0.000 2.329 305 C HN -0.032 nan 8.230 nan 0.000 0.524 306 P HA 0.084 nan 4.420 nan 0.000 0.271 306 P C 0.763 178.048 177.300 -0.026 0.000 1.216 306 P CA -0.192 62.899 63.100 -0.016 0.000 0.776 306 P CB 0.495 32.185 31.700 -0.017 0.000 0.881 307 L N 4.569 125.777 121.223 -0.024 0.000 1.997 307 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 307 L C 1.865 178.691 176.870 -0.073 0.000 1.074 307 L CA 2.079 56.896 54.840 -0.039 0.000 0.763 307 L CB -0.912 41.131 42.059 -0.026 0.000 0.890 307 L HN 0.312 nan 8.230 nan 0.000 0.434 308 K N -0.698 119.666 120.400 -0.060 0.000 2.173 308 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 308 K C 0.907 177.458 176.600 -0.081 0.000 1.046 308 K CA 1.613 57.858 56.287 -0.070 0.000 0.929 308 K CB -0.375 32.098 32.500 -0.045 0.000 0.720 308 K HN 0.519 nan 8.250 nan 0.000 0.453 309 D N 0.477 120.837 120.400 -0.067 0.000 2.388 309 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 309 D C -0.322 175.936 176.300 -0.071 0.000 1.133 309 D CA 0.171 54.133 54.000 -0.064 0.000 0.831 309 D CB 0.388 41.163 40.800 -0.042 0.000 0.962 309 D HN 0.010 nan 8.370 nan 0.000 0.502 310 T N 3.529 118.027 114.554 -0.093 0.000 2.831 310 T HA 0.012 4.362 4.350 -0.000 0.000 0.291 310 T C -1.085 173.556 174.700 -0.098 0.000 0.981 310 T CA -0.741 61.306 62.100 -0.087 0.000 1.174 310 T CB 1.411 70.210 68.868 -0.115 0.000 0.929 310 T HN 0.094 nan 8.240 nan 0.000 0.532 311 P HA -0.126 nan 4.420 nan 0.000 0.220 311 P C 1.509 178.757 177.300 -0.086 0.000 1.148 311 P CA 0.680 63.740 63.100 -0.067 0.000 0.803 311 P CB 0.088 31.764 31.700 -0.041 0.000 0.782 312 M N -0.231 119.327 119.600 -0.070 0.000 2.213 312 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 312 M C 1.996 178.206 176.300 -0.151 0.000 1.062 312 M CA 1.581 56.841 55.300 -0.067 0.000 1.105 312 M CB -1.291 31.353 32.600 0.074 0.000 1.385 312 M HN -0.204 nan 8.290 nan 0.000 0.417 313 L N -0.673 120.415 121.223 -0.225 0.000 2.141 313 L HA -0.145 4.194 4.340 -0.000 0.000 0.209 313 L C 2.321 179.067 176.870 -0.206 0.000 1.094 313 L CA 1.109 55.770 54.840 -0.297 0.000 0.763 313 L CB -0.693 41.148 42.059 -0.365 0.000 0.908 313 L HN 0.284 nan 8.230 nan 0.000 0.437 314 E N 0.035 120.138 120.200 -0.163 0.000 2.107 314 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 314 E C 2.112 178.624 176.600 -0.146 0.000 0.982 314 E CA 0.826 57.148 56.400 -0.130 0.000 0.809 314 E CB -0.035 29.607 29.700 -0.097 0.000 0.756 314 E HN 0.159 nan 8.360 nan 0.000 0.459 315 V N 0.764 120.570 119.914 -0.180 0.000 2.287 315 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 315 V C 2.463 178.369 176.094 -0.313 0.000 1.053 315 V CA 1.790 63.950 62.300 -0.232 0.000 1.027 315 V CB -0.553 31.091 31.823 -0.298 0.000 0.646 315 V HN 0.290 nan 8.190 nan 0.000 0.447 316 L N -0.406 120.597 121.223 -0.366 0.000 2.012 316 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 316 L C 2.638 179.400 176.870 -0.180 0.000 1.073 316 L CA 2.038 56.686 54.840 -0.320 0.000 0.748 316 L CB -0.621 41.305 42.059 -0.223 0.000 0.891 316 L HN 0.290 nan 8.230 nan 0.000 0.431 317 K N -0.630 119.680 120.400 -0.150 0.000 2.063 317 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 317 K C 2.283 178.821 176.600 -0.103 0.000 1.048 317 K CA 1.367 57.589 56.287 -0.108 0.000 0.928 317 K CB 0.083 32.526 32.500 -0.095 0.000 0.713 317 K HN 0.244 nan 8.250 nan 0.000 0.442 318 Q N -0.314 119.422 119.800 -0.107 0.000 2.083 318 Q HA -0.065 4.274 4.340 -0.000 0.000 0.198 318 Q C 2.070 178.009 176.000 -0.103 0.000 0.969 318 Q CA 1.428 57.177 55.803 -0.089 0.000 0.838 318 Q CB -0.263 28.430 28.738 -0.074 0.000 0.900 318 Q HN 0.379 nan 8.270 nan 0.000 0.436 319 A N 1.107 123.863 122.820 -0.107 0.000 1.902 319 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 319 A C 2.275 179.754 177.584 -0.174 0.000 1.181 319 A CA 1.793 53.779 52.037 -0.085 0.000 0.623 319 A CB -0.637 18.378 19.000 0.025 0.000 0.818 319 A HN 0.346 nan 8.150 nan 0.000 0.443 320 A N -0.348 122.370 122.820 -0.171 0.000 2.125 320 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 320 A C 1.983 179.372 177.584 -0.324 0.000 1.156 320 A CA 1.618 53.517 52.037 -0.230 0.000 0.671 320 A CB -0.405 18.515 19.000 -0.133 0.000 0.794 320 A HN 0.573 nan 8.150 nan 0.000 0.459 321 K N -0.898 119.353 120.400 -0.248 0.000 2.211 321 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 321 K C 1.684 178.048 176.600 -0.393 0.000 1.050 321 K CA 1.684 57.840 56.287 -0.218 0.000 0.945 321 K CB -0.040 32.398 32.500 -0.104 0.000 0.732 321 K HN 0.748 nan 8.250 nan 0.000 0.451 322 T N -3.940 110.285 114.554 -0.549 0.000 2.992 322 T HA 0.134 4.484 4.350 -0.000 0.000 0.255 322 T C 0.451 174.530 174.700 -1.034 0.000 0.938 322 T CA -0.441 61.268 62.100 -0.653 0.000 0.895 322 T CB 0.281 69.003 68.868 -0.243 0.000 1.221 322 T HN -0.215 nan 8.240 nan 0.000 0.512 323 V N 3.270 122.611 119.914 -0.956 0.000 2.370 323 V HA 0.367 4.487 4.120 -0.000 0.000 0.257 323 V C -0.493 174.957 176.094 -1.073 0.000 1.064 323 V CA -0.339 61.290 62.300 -1.118 0.000 0.975 323 V CB -0.875 30.651 31.823 -0.495 0.000 1.067 323 V HN 0.466 nan 8.190 nan 0.000 0.485 324 F N 5.092 124.525 119.950 -0.861 0.000 2.894 324 F HA 0.430 4.957 4.527 -0.000 0.000 0.310 324 F C 0.414 176.199 175.800 -0.024 0.000 1.204 324 F CA -0.484 57.357 58.000 -0.264 0.000 1.290 324 F CB 0.468 39.425 39.000 -0.071 0.000 1.317 324 F HN 0.399 nan 8.300 nan 0.000 0.545 325 V N -2.905 117.031 119.914 0.038 0.000 3.159 325 V HA 0.678 4.798 4.120 -0.000 0.000 0.308 325 V C -2.879 173.184 176.094 -0.053 0.000 1.190 325 V CA -3.384 58.988 62.300 0.121 0.000 1.037 325 V CB 1.871 33.858 31.823 0.273 0.000 1.060 325 V HN -0.158 nan 8.190 nan 0.000 0.437 326 P HA 0.364 nan 4.420 nan 0.000 0.267 326 P C -1.125 176.149 177.300 -0.043 0.000 1.200 326 P CA 0.301 63.272 63.100 -0.215 0.000 0.772 326 P CB 0.256 31.705 31.700 -0.418 0.000 0.855 327 L N 2.382 123.616 121.223 0.017 0.000 2.362 327 L HA 0.523 4.863 4.340 -0.000 0.000 0.275 327 L C 0.263 177.225 176.870 0.153 0.000 0.998 327 L CA -0.000 54.919 54.840 0.132 0.000 0.820 327 L CB 2.091 44.278 42.059 0.215 0.000 1.270 327 L HN 0.230 nan 8.230 nan 0.000 0.415 328 T N 1.868 116.529 114.554 0.179 0.000 2.887 328 T HA 0.659 5.008 4.350 -0.000 0.000 0.288 328 T C -1.238 173.588 174.700 0.209 0.000 1.021 328 T CA -0.536 61.657 62.100 0.154 0.000 1.000 328 T CB 2.281 71.208 68.868 0.099 0.000 1.034 328 T HN 0.329 nan 8.240 nan 0.000 0.467 329 V N 2.017 121.997 119.914 0.109 0.000 2.577 329 V HA 0.873 4.992 4.120 -0.000 0.000 0.303 329 V C -0.277 175.774 176.094 -0.072 0.000 1.042 329 V CA -0.181 62.151 62.300 0.053 0.000 0.872 329 V CB 1.398 33.194 31.823 -0.045 0.000 0.998 329 V HN 1.025 nan 8.190 nan 0.000 0.423 330 G N 3.612 112.392 108.800 -0.034 0.000 2.452 330 G HA2 0.735 4.695 3.960 -0.000 0.000 0.324 330 G HA3 0.735 4.695 3.960 -0.000 0.000 0.324 330 G C 0.016 174.869 174.900 -0.080 0.000 1.214 330 G CA -0.356 44.704 45.100 -0.067 0.000 0.947 330 G HN 1.950 nan 8.290 nan 0.000 0.478 331 G N -0.774 107.963 108.800 -0.105 0.000 3.338 331 G HA2 0.466 4.426 3.960 -0.000 0.000 0.686 331 G HA3 0.466 4.426 3.960 -0.000 0.000 0.686 331 G C 0.887 175.715 174.900 -0.120 0.000 1.053 331 G CA 0.670 45.721 45.100 -0.080 0.000 0.852 331 G HN 2.567 nan 8.290 nan 0.000 0.545 332 G N 0.305 109.054 108.800 -0.085 0.000 2.195 332 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.246 332 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.246 332 G C 0.519 175.357 174.900 -0.104 0.000 0.984 332 G CA 0.411 45.474 45.100 -0.063 0.000 0.633 332 G HN 1.699 nan 8.290 nan 0.000 0.525 333 I N 2.456 122.913 120.570 -0.189 0.000 2.243 333 I HA 0.396 4.566 4.170 -0.000 0.000 0.297 333 I C 0.745 176.813 176.117 -0.083 0.000 1.161 333 I CA 0.311 61.496 61.300 -0.192 0.000 1.298 333 I CB -0.829 37.004 38.000 -0.279 0.000 1.475 333 I HN 0.591 nan 8.210 nan 0.000 0.561 334 K N 2.494 122.876 120.400 -0.031 0.000 2.556 334 K HA 0.431 4.751 4.320 -0.000 0.000 0.289 334 K C -1.349 175.264 176.600 0.022 0.000 1.040 334 K CA -0.970 55.320 56.287 0.005 0.000 0.894 334 K CB 1.281 33.794 32.500 0.020 0.000 1.547 334 K HN -0.077 nan 8.250 nan 0.000 0.417 335 D N 1.856 122.276 120.400 0.033 0.000 2.417 335 D HA 0.229 4.869 4.640 -0.000 0.000 0.250 335 D C 0.123 176.442 176.300 0.032 0.000 1.166 335 D CA 0.296 54.316 54.000 0.033 0.000 0.881 335 D CB 0.415 41.236 40.800 0.034 0.000 1.164 335 D HN 0.500 nan 8.370 nan 0.000 0.467 336 I N -1.835 118.753 120.570 0.030 0.000 2.892 336 I HA 0.543 4.713 4.170 -0.000 0.000 0.306 336 I C -0.901 175.230 176.117 0.023 0.000 1.078 336 I CA -1.166 60.151 61.300 0.028 0.000 1.032 336 I CB 2.182 40.201 38.000 0.032 0.000 1.229 336 I HN -0.112 nan 8.210 nan 0.000 0.435 337 V N 3.652 123.578 119.914 0.020 0.000 2.313 337 V HA 0.252 4.371 4.120 -0.000 0.000 0.278 337 V C -0.027 176.076 176.094 0.014 0.000 1.017 337 V CA -0.231 62.079 62.300 0.016 0.000 0.823 337 V CB 0.805 32.637 31.823 0.015 0.000 1.010 337 V HN 0.743 nan 8.190 nan 0.000 0.443 338 D N 2.927 123.334 120.400 0.012 0.000 2.354 338 D HA 0.041 4.680 4.640 -0.000 0.000 0.238 338 D C 1.330 177.634 176.300 0.006 0.000 1.250 338 D CA 0.062 54.067 54.000 0.008 0.000 0.911 338 D CB 1.704 42.507 40.800 0.005 0.000 1.163 338 D HN 0.215 nan 8.370 nan 0.000 0.456 339 V N 1.176 121.092 119.914 0.003 0.000 2.546 339 V HA -0.265 3.855 4.120 -0.000 0.000 0.254 339 V C 1.229 177.325 176.094 0.003 0.000 1.076 339 V CA 2.330 64.632 62.300 0.003 0.000 1.087 339 V CB -0.799 31.024 31.823 -0.000 0.000 0.674 339 V HN 0.598 nan 8.190 nan 0.000 0.470 340 D N -0.792 119.610 120.400 0.003 0.000 2.358 340 D HA 0.311 4.950 4.640 -0.000 0.000 0.224 340 D C 1.481 177.784 176.300 0.005 0.000 1.123 340 D CA 0.626 54.628 54.000 0.003 0.000 0.833 340 D CB 0.152 40.953 40.800 0.002 0.000 0.946 340 D HN 0.346 nan 8.370 nan 0.000 0.505 341 G N -0.266 108.537 108.800 0.006 0.000 2.179 341 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 341 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 341 G C 0.516 175.421 174.900 0.008 0.000 0.977 341 G CA 0.373 45.477 45.100 0.007 0.000 0.641 341 G HN 0.445 nan 8.290 nan 0.000 0.533 342 T N 1.723 116.282 114.554 0.008 0.000 2.928 342 T HA 0.362 4.712 4.350 -0.000 0.000 0.305 342 T C 0.557 175.265 174.700 0.012 0.000 1.035 342 T CA 0.416 62.522 62.100 0.010 0.000 1.145 342 T CB 0.916 69.789 68.868 0.009 0.000 0.963 342 T HN 0.322 nan 8.240 nan 0.000 0.545 343 K N 3.511 123.919 120.400 0.014 0.000 2.263 343 K HA 0.351 4.671 4.320 -0.000 0.000 0.282 343 K C -0.366 176.246 176.600 0.020 0.000 1.089 343 K CA -0.183 56.114 56.287 0.016 0.000 0.907 343 K CB 0.505 33.014 32.500 0.016 0.000 1.148 343 K HN 0.539 nan 8.250 nan 0.000 0.470 344 I N 6.433 127.016 120.570 0.022 0.000 2.328 344 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 344 I C -1.929 174.207 176.117 0.031 0.000 1.012 344 I CA -2.448 58.868 61.300 0.027 0.000 1.195 344 I CB 1.229 39.244 38.000 0.025 0.000 1.350 344 I HN 0.340 nan 8.210 nan 0.000 0.464 345 P HA 0.082 nan 4.420 nan 0.000 0.272 345 P C 0.616 177.941 177.300 0.042 0.000 1.230 345 P CA -0.179 62.945 63.100 0.039 0.000 0.788 345 P CB 1.287 33.013 31.700 0.043 0.000 0.949 346 A N 2.231 125.074 122.820 0.039 0.000 1.915 346 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 346 A C 2.056 179.661 177.584 0.035 0.000 1.198 346 A CA 2.272 54.327 52.037 0.029 0.000 0.647 346 A CB -1.785 17.233 19.000 0.029 0.000 0.825 346 A HN 0.573 nan 8.150 nan 0.000 0.456 347 L N -0.178 121.087 121.223 0.070 0.000 1.990 347 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 347 L C 2.127 179.070 176.870 0.122 0.000 1.072 347 L CA 2.811 57.723 54.840 0.121 0.000 0.755 347 L CB -0.889 41.255 42.059 0.143 0.000 0.889 347 L HN 0.543 nan 8.230 nan 0.000 0.432 348 E N -1.342 118.914 120.200 0.094 0.000 2.152 348 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 348 E C 2.146 178.777 176.600 0.052 0.000 0.983 348 E CA 1.145 57.597 56.400 0.087 0.000 0.818 348 E CB -0.048 29.694 29.700 0.070 0.000 0.758 348 E HN 0.410 nan 8.360 nan 0.000 0.467 349 V N 0.935 120.873 119.914 0.040 0.000 2.407 349 V HA -0.268 3.851 4.120 -0.000 0.000 0.248 349 V C 2.218 178.337 176.094 0.042 0.000 1.055 349 V CA 1.809 64.143 62.300 0.057 0.000 1.049 349 V CB -0.625 31.238 31.823 0.065 0.000 0.662 349 V HN 0.349 nan 8.190 nan 0.000 0.455 350 A N -0.465 122.297 122.820 -0.096 0.000 1.898 350 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 350 A C 2.485 179.754 177.584 -0.525 0.000 1.181 350 A CA 2.066 53.850 52.037 -0.421 0.000 0.620 350 A CB -0.700 18.024 19.000 -0.460 0.000 0.819 350 A HN 0.490 nan 8.150 nan 0.000 0.442 351 S N -0.487 115.141 115.700 -0.120 0.000 2.383 351 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 351 S C 1.830 176.457 174.600 0.046 0.000 1.030 351 S CA 1.491 59.750 58.200 0.097 0.000 1.002 351 S CB -0.390 62.967 63.200 0.262 0.000 0.829 351 S HN 0.472 nan 8.310 nan 0.000 0.467 352 L N 0.450 121.666 121.223 -0.012 0.000 2.027 352 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 352 L C 1.835 178.631 176.870 -0.123 0.000 1.074 352 L CA 1.766 56.569 54.840 -0.061 0.000 0.745 352 L CB -0.876 41.119 42.059 -0.107 0.000 0.898 352 L HN 0.260 nan 8.230 nan 0.000 0.433 353 Y N -1.228 118.951 120.300 -0.202 0.000 2.242 353 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 353 Y C 2.295 178.135 175.900 -0.100 0.000 1.137 353 Y CA 2.005 59.985 58.100 -0.199 0.000 1.181 353 Y CB -0.582 37.701 38.460 -0.295 0.000 0.989 353 Y HN 0.132 nan 8.280 nan 0.000 0.527 354 F N -0.224 119.733 119.950 0.012 0.000 2.069 354 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 354 F C 2.352 178.125 175.800 -0.045 0.000 1.113 354 F CA 1.008 58.961 58.000 -0.080 0.000 1.214 354 F CB -0.344 38.510 39.000 -0.244 0.000 0.978 354 F HN -0.130 nan 8.300 nan 0.000 0.474 355 R N -0.213 120.389 120.500 0.171 0.000 2.241 355 R HA -0.082 4.257 4.340 -0.000 0.000 0.224 355 R C 1.832 178.151 176.300 0.032 0.000 1.101 355 R CA 1.078 57.233 56.100 0.091 0.000 0.995 355 R CB -0.315 30.030 30.300 0.076 0.000 0.870 355 R HN 0.122 nan 8.270 nan 0.000 0.463 356 S N -1.236 114.467 115.700 0.004 0.000 2.558 356 S HA 0.141 4.610 4.470 -0.000 0.000 0.217 356 S C 1.170 175.750 174.600 -0.034 0.000 0.975 356 S CA 0.689 58.859 58.200 -0.051 0.000 0.912 356 S CB 1.182 64.297 63.200 -0.141 0.000 0.776 356 S HN 0.655 nan 8.310 nan 0.000 0.526 357 G N 0.659 109.470 108.800 0.017 0.000 2.318 357 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.172 357 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.172 357 G C 0.110 175.043 174.900 0.054 0.000 1.002 357 G CA -0.286 44.819 45.100 0.008 0.000 0.697 357 G HN 0.674 nan 8.290 nan 0.000 0.483 358 A N 0.376 123.273 122.820 0.128 0.000 2.371 358 A HA 0.616 4.936 4.320 -0.000 0.000 0.257 358 A C 0.831 178.567 177.584 0.253 0.000 1.089 358 A CA 0.726 52.885 52.037 0.202 0.000 0.794 358 A CB 0.437 19.576 19.000 0.232 0.000 1.029 358 A HN 0.134 nan 8.150 nan 0.000 0.488 359 D N 0.303 120.802 120.400 0.165 0.000 2.455 359 D HA 0.143 4.782 4.640 -0.000 0.000 0.228 359 D C -0.004 176.326 176.300 0.051 0.000 1.070 359 D CA 0.931 54.937 54.000 0.009 0.000 0.881 359 D CB 0.509 41.275 40.800 -0.058 0.000 1.087 359 D HN 0.551 nan 8.370 nan 0.000 0.498 360 K N 0.632 121.170 120.400 0.231 0.000 2.508 360 K HA 0.470 4.790 4.320 -0.000 0.000 0.260 360 K C -0.976 175.760 176.600 0.225 0.000 0.949 360 K CA -0.804 55.633 56.287 0.250 0.000 0.834 360 K CB 3.588 36.163 32.500 0.125 0.000 1.365 360 K HN -0.214 nan 8.250 nan 0.000 0.437 361 V N -1.586 118.420 119.914 0.154 0.000 2.604 361 V HA 0.595 4.715 4.120 -0.000 0.000 0.305 361 V C -0.454 175.626 176.094 -0.023 0.000 1.043 361 V CA -0.695 61.581 62.300 -0.039 0.000 0.888 361 V CB 1.693 33.392 31.823 -0.206 0.000 0.995 361 V HN 0.681 nan 8.190 nan 0.000 0.429 362 S N 4.944 120.610 115.700 -0.056 0.000 2.442 362 S HA 0.717 5.187 4.470 -0.000 0.000 0.297 362 S C -0.473 174.092 174.600 -0.059 0.000 1.131 362 S CA -0.682 57.496 58.200 -0.036 0.000 1.092 362 S CB 0.409 63.596 63.200 -0.022 0.000 0.998 362 S HN 0.635 nan 8.310 nan 0.000 0.478 363 I N 4.829 125.374 120.570 -0.041 0.000 2.392 363 I HA 0.429 4.599 4.170 -0.000 0.000 0.295 363 I C 1.150 177.242 176.117 -0.042 0.000 0.985 363 I CA -0.264 61.010 61.300 -0.043 0.000 1.221 363 I CB 0.894 38.877 38.000 -0.028 0.000 1.366 363 I HN 0.843 nan 8.210 nan 0.000 0.467 364 G N 3.378 112.149 108.800 -0.050 0.000 2.560 364 G HA2 0.028 3.988 3.960 -0.000 0.000 0.212 364 G HA3 0.028 3.988 3.960 -0.000 0.000 0.212 364 G C 0.978 175.823 174.900 -0.092 0.000 2.038 364 G CA 0.384 45.450 45.100 -0.057 0.000 0.728 364 G HN 0.465 nan 8.290 nan 0.000 0.784 365 T N 1.646 116.129 114.554 -0.117 0.000 2.653 365 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 365 T C 1.926 176.416 174.700 -0.349 0.000 1.035 365 T CA 2.000 63.955 62.100 -0.242 0.000 1.154 365 T CB -0.417 68.336 68.868 -0.191 0.000 0.862 365 T HN 0.187 nan 8.240 nan 0.000 0.441 366 D N 0.947 121.267 120.400 -0.133 0.000 2.182 366 D HA -0.012 4.627 4.640 -0.000 0.000 0.201 366 D C 2.262 178.556 176.300 -0.010 0.000 0.986 366 D CA 1.057 55.061 54.000 0.007 0.000 0.847 366 D CB -0.512 40.336 40.800 0.078 0.000 0.942 366 D HN 0.425 nan 8.370 nan 0.000 0.467 367 A N 0.390 123.179 122.820 -0.051 0.000 1.883 367 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 367 A C 2.499 180.069 177.584 -0.023 0.000 1.186 367 A CA 1.550 53.569 52.037 -0.031 0.000 0.624 367 A CB -0.784 18.191 19.000 -0.040 0.000 0.822 367 A HN 0.170 nan 8.150 nan 0.000 0.444 368 V N -1.366 118.497 119.914 -0.085 0.000 2.295 368 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 368 V C 2.343 178.472 176.094 0.058 0.000 1.049 368 V CA 1.954 64.227 62.300 -0.045 0.000 1.024 368 V CB -1.237 30.510 31.823 -0.127 0.000 0.648 368 V HN 0.704 nan 8.190 nan 0.000 0.447 369 Y N 0.533 120.870 120.300 0.062 0.000 2.128 369 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 369 Y C 2.656 178.594 175.900 0.064 0.000 1.154 369 Y CA 0.957 59.095 58.100 0.063 0.000 1.149 369 Y CB -0.513 37.975 38.460 0.047 0.000 0.976 369 Y HN 0.243 nan 8.280 nan 0.000 0.505 370 A N 0.402 123.348 122.820 0.209 0.000 1.908 370 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 370 A C 2.395 180.040 177.584 0.101 0.000 1.181 370 A CA 1.903 54.016 52.037 0.126 0.000 0.627 370 A CB -1.188 17.854 19.000 0.070 0.000 0.818 370 A HN 0.452 nan 8.150 nan 0.000 0.445 371 A N -0.324 122.544 122.820 0.080 0.000 1.898 371 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 371 A C 1.911 179.614 177.584 0.199 0.000 1.181 371 A CA 1.599 53.670 52.037 0.057 0.000 0.620 371 A CB -0.528 18.528 19.000 0.093 0.000 0.819 371 A HN 0.645 nan 8.150 nan 0.000 0.442 372 E N -0.359 119.991 120.200 0.250 0.000 2.058 372 E HA -0.235 4.114 4.350 -0.000 0.000 0.194 372 E C 2.106 178.848 176.600 0.235 0.000 0.997 372 E CA 1.495 58.069 56.400 0.290 0.000 0.801 372 E CB -0.174 29.674 29.700 0.247 0.000 0.746 372 E HN 0.671 nan 8.360 nan 0.000 0.450 373 K N 0.429 120.935 120.400 0.178 0.000 2.057 373 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 373 K C 2.208 178.870 176.600 0.104 0.000 1.049 373 K CA 1.336 57.697 56.287 0.124 0.000 0.931 373 K CB -0.273 32.289 32.500 0.103 0.000 0.714 373 K HN 0.114 nan 8.250 nan 0.000 0.440 374 Y N 0.475 120.742 120.300 -0.056 0.000 2.114 374 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 374 Y C 1.664 177.466 175.900 -0.162 0.000 1.165 374 Y CA 2.120 60.120 58.100 -0.168 0.000 1.148 374 Y CB -0.504 37.753 38.460 -0.338 0.000 0.972 374 Y HN 0.149 nan 8.280 nan 0.000 0.504 375 Y N -0.069 120.294 120.300 0.104 0.000 2.314 375 Y HA -0.164 4.386 4.550 -0.000 0.000 0.293 375 Y C 2.649 178.522 175.900 -0.044 0.000 1.129 375 Y CA 1.327 59.426 58.100 -0.002 0.000 1.201 375 Y CB -0.292 38.234 38.460 0.109 0.000 0.999 375 Y HN 0.216 nan 8.280 nan 0.000 0.541 376 E N 0.567 120.846 120.200 0.132 0.000 2.106 376 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 376 E C 1.546 178.151 176.600 0.007 0.000 0.984 376 E CA 0.743 57.186 56.400 0.071 0.000 0.806 376 E CB -0.163 29.582 29.700 0.074 0.000 0.750 376 E HN 0.456 nan 8.360 nan 0.000 0.458 377 L N -0.379 120.818 121.223 -0.044 0.000 2.627 377 L HA 0.130 4.470 4.340 -0.000 0.000 0.233 377 L C 1.003 177.802 176.870 -0.118 0.000 1.144 377 L CA 0.392 55.187 54.840 -0.075 0.000 0.892 377 L CB 0.117 42.125 42.059 -0.085 0.000 1.039 377 L HN 0.325 nan 8.230 nan 0.000 0.442 378 G N 0.594 109.320 108.800 -0.124 0.000 2.204 378 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 378 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 378 G C 0.131 174.885 174.900 -0.244 0.000 1.062 378 G CA -0.082 44.947 45.100 -0.118 0.000 0.798 378 G HN 0.446 nan 8.290 nan 0.000 0.496 379 N N -1.415 116.970 118.700 -0.525 0.000 2.780 379 N HA -0.136 4.604 4.740 -0.000 0.000 0.247 379 N C 0.202 175.048 175.510 -1.107 0.000 1.076 379 N CA 1.719 54.079 53.050 -1.150 0.000 0.688 379 N CB -0.555 37.716 38.487 -0.361 0.000 0.957 379 N HN 0.846 nan 8.380 nan 0.000 0.551 380 R N -0.560 119.410 120.500 -0.883 0.000 2.740 380 R HA 0.760 5.100 4.340 -0.000 0.000 0.273 380 R C 0.617 176.905 176.300 -0.020 0.000 0.998 380 R CA -0.402 55.548 56.100 -0.251 0.000 0.900 380 R CB 1.248 31.470 30.300 -0.130 0.000 1.223 380 R HN 0.140 nan 8.270 nan 0.000 0.466 381 G N -0.229 108.655 108.800 0.140 0.000 2.434 381 G HA2 0.348 4.308 3.960 -0.000 0.000 0.330 381 G HA3 0.348 4.308 3.960 -0.000 0.000 0.330 381 G C -0.112 174.827 174.900 0.065 0.000 1.155 381 G CA -0.474 44.711 45.100 0.141 0.000 0.917 381 G HN 0.613 nan 8.290 nan 0.000 0.493 382 D N -1.600 118.833 120.400 0.055 0.000 2.431 382 D HA 0.230 4.869 4.640 -0.000 0.000 0.213 382 D C 1.519 177.842 176.300 0.037 0.000 1.130 382 D CA 0.383 54.405 54.000 0.036 0.000 0.834 382 D CB 0.094 40.911 40.800 0.028 0.000 0.985 382 D HN 1.007 nan 8.370 nan 0.000 0.504 383 G N 0.483 109.311 108.800 0.046 0.000 2.155 383 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 383 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 383 G C 1.062 175.988 174.900 0.043 0.000 0.983 383 G CA 1.041 46.167 45.100 0.043 0.000 0.676 383 G HN 0.676 nan 8.290 nan 0.000 0.528 384 T N -1.948 112.632 114.554 0.044 0.000 3.040 384 T HA 0.487 4.837 4.350 -0.000 0.000 0.250 384 T C 1.444 176.174 174.700 0.049 0.000 1.058 384 T CA 1.109 63.234 62.100 0.043 0.000 0.988 384 T CB 0.205 69.095 68.868 0.036 0.000 0.993 384 T HN 1.498 nan 8.240 nan 0.000 0.519 385 S N 1.896 117.629 115.700 0.054 0.000 2.592 385 S HA 0.335 4.804 4.470 -0.000 0.000 0.271 385 S C -1.849 172.784 174.600 0.055 0.000 1.326 385 S CA -1.063 57.172 58.200 0.058 0.000 1.024 385 S CB 1.223 64.456 63.200 0.055 0.000 0.921 385 S HN -0.035 nan 8.310 nan 0.000 0.527 386 P HA -0.018 nan 4.420 nan 0.000 0.218 386 P C 1.227 178.559 177.300 0.054 0.000 1.149 386 P CA 0.919 64.049 63.100 0.051 0.000 0.817 386 P CB -0.062 31.660 31.700 0.037 0.000 0.785 387 I N -0.460 120.135 120.570 0.042 0.000 2.179 387 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 387 I C 2.237 178.384 176.117 0.050 0.000 1.088 387 I CA 1.614 62.935 61.300 0.036 0.000 1.357 387 I CB -0.611 37.391 38.000 0.004 0.000 1.051 387 I HN -0.016 nan 8.210 nan 0.000 0.409 388 E N 0.343 120.571 120.200 0.047 0.000 2.051 388 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 388 E C 2.220 178.865 176.600 0.075 0.000 0.991 388 E CA 2.115 58.547 56.400 0.054 0.000 0.799 388 E CB -0.180 29.549 29.700 0.049 0.000 0.748 388 E HN 0.609 nan 8.360 nan 0.000 0.449 389 T N -0.305 114.299 114.554 0.082 0.000 2.737 389 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 389 T C 2.032 176.824 174.700 0.153 0.000 1.038 389 T CA 0.899 63.061 62.100 0.102 0.000 1.144 389 T CB -0.422 68.502 68.868 0.094 0.000 0.866 389 T HN 0.048 nan 8.240 nan 0.000 0.434 390 I N 2.575 123.250 120.570 0.175 0.000 2.252 390 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 390 I C 3.117 179.415 176.117 0.302 0.000 1.102 390 I CA 1.506 62.979 61.300 0.288 0.000 1.385 390 I CB -0.528 37.608 38.000 0.227 0.000 1.064 390 I HN 0.442 nan 8.210 nan 0.000 0.414 391 S N 0.768 116.580 115.700 0.188 0.000 2.402 391 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 391 S C 1.926 176.601 174.600 0.125 0.000 1.021 391 S CA 0.748 59.040 58.200 0.153 0.000 0.974 391 S CB -0.357 62.901 63.200 0.097 0.000 0.800 391 S HN 0.382 nan 8.310 nan 0.000 0.484 392 K N 1.264 121.731 120.400 0.110 0.000 2.217 392 K HA 0.189 4.508 4.320 -0.000 0.000 0.202 392 K C 2.340 178.988 176.600 0.081 0.000 1.051 392 K CA 0.994 57.333 56.287 0.086 0.000 0.952 392 K CB -0.300 32.245 32.500 0.075 0.000 0.736 392 K HN 0.517 nan 8.250 nan 0.000 0.453 393 A N 0.043 122.909 122.820 0.076 0.000 1.871 393 A HA -0.031 4.289 4.320 -0.000 0.000 0.211 393 A C 1.495 178.860 177.584 -0.365 0.000 1.207 393 A CA 0.821 52.829 52.037 -0.049 0.000 0.620 393 A CB -0.413 18.537 19.000 -0.083 0.000 0.860 393 A HN 0.238 nan 8.150 nan 0.000 0.450 394 Y N -0.339 119.968 120.300 0.012 0.000 2.482 394 Y HA 0.405 4.955 4.550 -0.000 0.000 0.270 394 Y C 1.371 177.237 175.900 -0.056 0.000 1.152 394 Y CA 0.324 58.376 58.100 -0.080 0.000 1.292 394 Y CB 0.109 38.510 38.460 -0.098 0.000 1.070 394 Y HN 0.548 nan 8.280 nan 0.000 0.528 395 G N -0.206 108.660 108.800 0.111 0.000 2.663 395 G HA2 0.028 3.988 3.960 -0.000 0.000 0.686 395 G HA3 0.028 3.988 3.960 -0.000 0.000 0.686 395 G C 0.650 175.614 174.900 0.107 0.000 1.246 395 G CA -0.554 44.608 45.100 0.103 0.000 0.795 395 G HN 0.376 nan 8.290 nan 0.000 0.627 396 A N 0.574 123.445 122.820 0.086 0.000 1.940 396 A HA -0.087 4.232 4.320 -0.000 0.000 0.219 396 A C 2.471 180.084 177.584 0.048 0.000 1.176 396 A CA 2.509 54.580 52.037 0.056 0.000 0.631 396 A CB -0.460 18.555 19.000 0.023 0.000 0.814 396 A HN 1.603 nan 8.150 nan 0.000 0.446 397 Q N -0.364 119.462 119.800 0.044 0.000 2.368 397 Q HA -0.075 4.265 4.340 -0.000 0.000 0.210 397 Q C 1.618 177.644 176.000 0.042 0.000 0.982 397 Q CA 1.606 57.430 55.803 0.034 0.000 0.884 397 Q CB -0.666 28.091 28.738 0.032 0.000 0.933 397 Q HN 0.608 nan 8.270 nan 0.000 0.460 398 A N 0.556 123.410 122.820 0.057 0.000 2.238 398 A HA 0.325 4.645 4.320 -0.000 0.000 0.210 398 A C 0.591 178.270 177.584 0.159 0.000 1.179 398 A CA -0.102 51.975 52.037 0.067 0.000 0.827 398 A CB 0.568 19.578 19.000 0.016 0.000 0.856 398 A HN 0.130 nan 8.150 nan 0.000 0.488 399 V N 0.247 120.228 119.914 0.111 0.000 2.409 399 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 399 V C -0.592 175.529 176.094 0.046 0.000 1.020 399 V CA -0.587 61.765 62.300 0.087 0.000 0.848 399 V CB 1.446 33.315 31.823 0.076 0.000 0.990 399 V HN 0.074 nan 8.190 nan 0.000 0.430 400 V N 6.449 126.384 119.914 0.034 0.000 2.604 400 V HA 0.597 4.717 4.120 -0.000 0.000 0.305 400 V C -0.705 175.387 176.094 -0.004 0.000 1.043 400 V CA -0.599 61.709 62.300 0.015 0.000 0.888 400 V CB 1.891 33.728 31.823 0.024 0.000 0.995 400 V HN 0.681 nan 8.190 nan 0.000 0.429 401 I N 5.216 125.776 120.570 -0.017 0.000 2.321 401 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 401 I C 0.453 176.555 176.117 -0.025 0.000 0.998 401 I CA 0.178 61.462 61.300 -0.026 0.000 1.227 401 I CB 1.205 39.182 38.000 -0.037 0.000 1.368 401 I HN 0.621 nan 8.210 nan 0.000 0.466 402 S N 6.208 121.894 115.700 -0.024 0.000 2.430 402 S HA 0.475 4.945 4.470 -0.000 0.000 0.289 402 S C -0.322 174.265 174.600 -0.020 0.000 1.143 402 S CA -0.437 57.751 58.200 -0.020 0.000 1.067 402 S CB 0.281 63.470 63.200 -0.018 0.000 0.964 402 S HN 0.334 nan 8.310 nan 0.000 0.485 403 V N 5.475 125.379 119.914 -0.017 0.000 2.435 403 V HA 0.444 4.564 4.120 -0.000 0.000 0.290 403 V C -0.464 175.633 176.094 0.004 0.000 1.030 403 V CA -0.817 61.480 62.300 -0.006 0.000 0.881 403 V CB 1.831 33.651 31.823 -0.005 0.000 0.983 403 V HN 0.759 nan 8.190 nan 0.000 0.445 404 D N 6.344 126.753 120.400 0.014 0.000 2.458 404 D HA 0.353 4.993 4.640 -0.000 0.000 0.258 404 D C -2.699 173.628 176.300 0.044 0.000 1.134 404 D CA -0.889 53.123 54.000 0.021 0.000 0.915 404 D CB 2.203 43.008 40.800 0.008 0.000 1.028 404 D HN 0.357 nan 8.370 nan 0.000 0.508 405 P HA 0.375 nan 4.420 nan 0.000 0.289 405 P C -0.868 176.523 177.300 0.151 0.000 1.293 405 P CA -0.758 62.423 63.100 0.136 0.000 0.897 405 P CB 2.257 34.084 31.700 0.212 0.000 1.166 406 K N 0.740 121.180 120.400 0.067 0.000 2.501 406 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 406 K C -0.530 175.846 176.600 -0.373 0.000 0.934 406 K CA -1.048 55.203 56.287 -0.060 0.000 0.797 406 K CB 2.352 34.794 32.500 -0.097 0.000 1.270 406 K HN 0.329 nan 8.250 nan 0.000 0.431 407 R N 1.947 122.086 120.500 -0.602 0.000 2.570 407 R HA 0.169 4.509 4.340 -0.000 0.000 0.277 407 R C -1.092 174.747 176.300 -0.768 0.000 1.039 407 R CA -0.125 55.345 56.100 -1.051 0.000 1.065 407 R CB 0.568 30.323 30.300 -0.909 0.000 0.964 407 R HN 0.479 nan 8.270 nan 0.000 0.428 408 V N 6.046 125.398 119.914 -0.936 0.000 2.525 408 V HA 0.256 4.376 4.120 -0.000 0.000 0.299 408 V C -1.090 174.668 176.094 -0.559 0.000 1.034 408 V CA -0.749 61.123 62.300 -0.713 0.000 0.863 408 V CB 1.406 32.621 31.823 -1.014 0.000 0.999 408 V HN 0.681 nan 8.190 nan 0.000 0.423 409 Y N 3.754 123.917 120.300 -0.227 0.000 2.301 409 Y HA 0.671 5.221 4.550 -0.000 0.000 0.325 409 Y C 0.445 176.351 175.900 0.010 0.000 1.203 409 Y CA -0.243 57.793 58.100 -0.107 0.000 1.255 409 Y CB 1.882 40.285 38.460 -0.095 0.000 1.232 409 Y HN 0.560 nan 8.280 nan 0.000 0.501 410 V N -0.924 119.134 119.914 0.240 0.000 3.114 410 V HA 0.425 4.544 4.120 -0.000 0.000 0.308 410 V C -0.064 176.132 176.094 0.171 0.000 1.168 410 V CA -1.057 61.352 62.300 0.182 0.000 1.015 410 V CB 2.222 34.144 31.823 0.165 0.000 1.050 410 V HN 0.821 nan 8.190 nan 0.000 0.433 411 N N 1.063 119.828 118.700 0.109 0.000 2.270 411 N HA 0.023 4.763 4.740 -0.000 0.000 0.181 411 N C 0.606 176.185 175.510 0.115 0.000 1.016 411 N CA 1.556 54.670 53.050 0.107 0.000 0.870 411 N CB 0.266 38.785 38.487 0.053 0.000 0.979 411 N HN 1.055 nan 8.380 nan 0.000 0.431 412 S N -1.629 114.067 115.700 -0.007 0.000 2.588 412 S HA 0.154 4.623 4.470 -0.000 0.000 0.269 412 S C 0.318 174.754 174.600 -0.273 0.000 1.157 412 S CA -0.757 57.308 58.200 -0.224 0.000 0.824 412 S CB 2.084 65.179 63.200 -0.175 0.000 1.126 412 S HN -0.064 nan 8.310 nan 0.000 0.464 413 Q N 1.127 120.661 119.800 -0.444 0.000 2.389 413 Q HA -0.045 4.295 4.340 -0.000 0.000 0.213 413 Q C 1.760 177.627 176.000 -0.222 0.000 0.989 413 Q CA 2.368 57.977 55.803 -0.323 0.000 0.891 413 Q CB -0.780 27.758 28.738 -0.334 0.000 0.923 413 Q HN 0.945 nan 8.270 nan 0.000 0.455 414 A N -0.195 122.514 122.820 -0.184 0.000 2.167 414 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 414 A C 1.268 178.787 177.584 -0.108 0.000 1.151 414 A CA 1.078 53.035 52.037 -0.133 0.000 0.735 414 A CB -0.123 18.814 19.000 -0.106 0.000 0.802 414 A HN 0.437 nan 8.150 nan 0.000 0.467 415 D N -0.651 119.690 120.400 -0.098 0.000 2.349 415 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 415 D C 0.358 176.604 176.300 -0.089 0.000 1.029 415 D CA 0.978 54.942 54.000 -0.060 0.000 0.879 415 D CB 0.341 41.137 40.800 -0.007 0.000 0.906 415 D HN 0.349 nan 8.370 nan 0.000 0.528 416 T N -0.578 113.871 114.554 -0.175 0.000 2.885 416 T HA 0.160 4.510 4.350 -0.000 0.000 0.322 416 T C 0.449 174.957 174.700 -0.321 0.000 1.387 416 T CA -0.762 61.162 62.100 -0.293 0.000 1.041 416 T CB 1.841 70.383 68.868 -0.544 0.000 1.287 416 T HN -0.076 nan 8.240 nan 0.000 0.491 417 K N 2.190 122.397 120.400 -0.322 0.000 2.296 417 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 417 K C 0.637 177.044 176.600 -0.321 0.000 1.048 417 K CA 0.147 56.274 56.287 -0.267 0.000 0.966 417 K CB -0.041 32.334 32.500 -0.208 0.000 0.754 417 K HN 0.317 nan 8.250 nan 0.000 0.466 418 N N 2.357 120.763 118.700 -0.490 0.000 2.467 418 N HA 0.009 4.749 4.740 -0.000 0.000 0.262 418 N C -0.541 174.755 175.510 -0.356 0.000 1.234 418 N CA -0.199 52.578 53.050 -0.455 0.000 0.952 418 N CB 0.934 38.978 38.487 -0.737 0.000 1.158 418 N HN 0.011 nan 8.380 nan 0.000 0.463 419 K N 0.958 121.211 120.400 -0.245 0.000 2.412 419 K HA 0.153 4.473 4.320 -0.000 0.000 0.281 419 K C -0.575 175.962 176.600 -0.106 0.000 1.027 419 K CA -0.234 55.861 56.287 -0.320 0.000 0.989 419 K CB 0.088 32.095 32.500 -0.822 0.000 0.935 419 K HN 0.376 nan 8.250 nan 0.000 0.475 420 V N 1.496 121.346 119.914 -0.106 0.000 3.126 420 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 420 V C -0.805 175.346 176.094 0.095 0.000 1.138 420 V CA -1.018 61.288 62.300 0.011 0.000 1.034 420 V CB 1.343 33.151 31.823 -0.026 0.000 1.075 420 V HN 0.730 nan 8.190 nan 0.000 0.442 421 F N -1.419 118.554 119.950 0.038 0.000 2.613 421 F HA 0.726 5.253 4.527 -0.000 0.000 0.314 421 F C -0.445 175.440 175.800 0.142 0.000 1.075 421 F CA -1.087 56.956 58.000 0.071 0.000 0.945 421 F CB 1.774 40.757 39.000 -0.028 0.000 1.310 421 F HN 0.747 nan 8.300 nan 0.000 0.467 422 E N 1.918 122.282 120.200 0.274 0.000 2.217 422 E HA 0.184 4.534 4.350 -0.000 0.000 0.279 422 E C -0.669 175.934 176.600 0.006 0.000 1.068 422 E CA -0.160 56.136 56.400 -0.174 0.000 0.882 422 E CB 0.917 30.502 29.700 -0.192 0.000 1.039 422 E HN 0.803 nan 8.360 nan 0.000 0.418 423 T N 2.425 116.874 114.554 -0.174 0.000 2.918 423 T HA 0.066 4.416 4.350 -0.000 0.000 0.283 423 T C 0.880 175.501 174.700 -0.131 0.000 1.001 423 T CA -0.409 61.677 62.100 -0.024 0.000 1.041 423 T CB 1.456 70.285 68.868 -0.066 0.000 1.028 423 T HN 0.652 nan 8.240 nan 0.000 0.511 424 E N 1.703 121.741 120.200 -0.271 0.000 2.442 424 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 424 E C -0.715 175.576 176.600 -0.515 0.000 1.030 424 E CA 0.277 56.395 56.400 -0.471 0.000 0.869 424 E CB 0.207 29.484 29.700 -0.705 0.000 0.857 424 E HN 0.751 nan 8.360 nan 0.000 0.505 425 Y N 1.307 121.652 120.300 0.075 0.000 2.721 425 Y HA 0.359 4.909 4.550 -0.000 0.000 0.328 425 Y C -2.232 173.723 175.900 0.093 0.000 1.003 425 Y CA -3.045 55.100 58.100 0.076 0.000 1.275 425 Y CB 0.844 39.366 38.460 0.104 0.000 1.097 425 Y HN -0.004 nan 8.280 nan 0.000 0.514 426 P HA -0.073 nan 4.420 nan 0.000 0.264 426 P C 0.722 177.832 177.300 -0.317 0.000 1.179 426 P CA 0.307 63.370 63.100 -0.061 0.000 0.763 426 P CB 0.829 32.487 31.700 -0.071 0.000 0.806 427 G N 3.181 111.521 108.800 -0.767 0.000 2.621 427 G HA2 0.191 4.151 3.960 -0.000 0.000 0.271 427 G HA3 0.191 4.151 3.960 -0.000 0.000 0.271 427 G C -1.609 172.931 174.900 -0.600 0.000 1.236 427 G CA -1.057 43.182 45.100 -1.435 0.000 0.958 427 G HN 0.292 nan 8.290 nan 0.000 0.512 428 P HA -0.127 nan 4.420 nan 0.000 0.216 428 P C 1.169 178.366 177.300 -0.171 0.000 1.157 428 P CA 1.193 64.155 63.100 -0.230 0.000 0.880 428 P CB 0.190 31.793 31.700 -0.163 0.000 0.791 429 N N -1.929 116.670 118.700 -0.168 0.000 2.276 429 N HA 0.139 4.879 4.740 -0.000 0.000 0.212 429 N C 1.057 176.506 175.510 -0.101 0.000 1.127 429 N CA 0.952 53.939 53.050 -0.105 0.000 0.834 429 N CB 0.310 38.755 38.487 -0.069 0.000 1.014 429 N HN 0.173 nan 8.380 nan 0.000 0.491 430 G N 1.049 109.762 108.800 -0.145 0.000 2.157 430 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 430 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 430 G C -0.263 174.577 174.900 -0.099 0.000 0.982 430 G CA -0.315 44.718 45.100 -0.112 0.000 0.650 430 G HN 0.334 nan 8.290 nan 0.000 0.527 431 E N 0.254 120.378 120.200 -0.126 0.000 2.452 431 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 431 E C 1.202 177.806 176.600 0.005 0.000 0.987 431 E CA 0.586 56.978 56.400 -0.013 0.000 0.926 431 E CB 0.492 30.225 29.700 0.054 0.000 0.934 431 E HN 0.493 nan 8.360 nan 0.000 0.452 432 K N 1.886 122.288 120.400 0.004 0.000 2.358 432 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 432 K C -0.532 175.799 176.600 -0.448 0.000 1.030 432 K CA 0.062 56.223 56.287 -0.211 0.000 1.097 432 K CB 0.470 32.765 32.500 -0.341 0.000 0.862 432 K HN 0.426 nan 8.250 nan 0.000 0.534 433 Y N -0.061 120.250 120.300 0.018 0.000 2.570 433 Y HA 0.416 4.966 4.550 -0.000 0.000 0.345 433 Y C 0.097 175.891 175.900 -0.177 0.000 1.014 433 Y CA -1.237 56.796 58.100 -0.111 0.000 1.063 433 Y CB 1.758 40.172 38.460 -0.078 0.000 1.272 433 Y HN 0.069 nan 8.280 nan 0.000 0.477 434 C N -0.386 118.744 119.300 -0.284 0.000 3.312 434 C HA 0.802 5.261 4.460 -0.000 0.000 0.332 434 C C -1.758 173.030 174.990 -0.336 0.000 1.340 434 C CA -1.151 57.603 59.018 -0.441 0.000 1.265 434 C CB 1.283 28.452 27.740 -0.952 0.000 1.563 434 C HN 1.082 nan 8.230 nan 0.000 0.471 435 W N -0.847 120.214 121.300 -0.398 0.000 3.029 435 W HA 0.707 5.367 4.660 -0.000 0.000 0.339 435 W C -2.499 173.943 176.519 -0.128 0.000 1.198 435 W CA -1.500 55.769 57.345 -0.127 0.000 1.148 435 W CB 0.558 30.003 29.460 -0.024 0.000 1.451 435 W HN 0.754 nan 8.180 nan 0.000 0.564 436 Y N 1.962 122.354 120.300 0.152 0.000 2.356 436 Y HA 0.229 4.779 4.550 -0.000 0.000 0.334 436 Y C 0.636 176.513 175.900 -0.038 0.000 0.958 436 Y CA -0.670 57.400 58.100 -0.049 0.000 1.196 436 Y CB 1.648 40.188 38.460 0.134 0.000 1.137 436 Y HN 0.375 nan 8.280 nan 0.000 0.485 437 Q N 3.151 122.727 119.800 -0.372 0.000 2.288 437 Q HA 0.361 4.701 4.340 -0.000 0.000 0.258 437 Q C -0.850 175.161 176.000 0.018 0.000 0.957 437 Q CA -0.420 55.242 55.803 -0.234 0.000 0.919 437 Q CB 0.557 28.948 28.738 -0.579 0.000 1.185 437 Q HN 0.777 nan 8.270 nan 0.000 0.408 438 C N 3.402 122.786 119.300 0.139 0.000 2.534 438 C HA 0.582 5.042 4.460 -0.000 0.000 0.385 438 C C 0.722 175.748 174.990 0.060 0.000 1.264 438 C CA -0.475 58.605 59.018 0.104 0.000 2.342 438 C CB 0.394 28.210 27.740 0.127 0.000 2.564 438 C HN 0.935 nan 8.230 nan 0.000 0.603 439 T N 0.212 114.784 114.554 0.030 0.000 2.910 439 T HA 0.861 5.211 4.350 -0.000 0.000 0.287 439 T C -0.593 174.096 174.700 -0.018 0.000 1.050 439 T CA -0.590 61.516 62.100 0.010 0.000 1.011 439 T CB 1.343 70.213 68.868 0.004 0.000 1.195 439 T HN 0.826 nan 8.240 nan 0.000 0.540 440 I N -3.070 117.481 120.570 -0.030 0.000 3.279 440 I HA 0.667 4.837 4.170 -0.000 0.000 0.315 440 I C -1.218 174.877 176.117 -0.036 0.000 1.187 440 I CA -1.859 59.398 61.300 -0.072 0.000 0.953 440 I CB 1.834 39.743 38.000 -0.153 0.000 1.279 440 I HN 0.773 nan 8.210 nan 0.000 0.465 441 K N 2.195 122.571 120.400 -0.039 0.000 3.974 441 K HA -0.140 4.180 4.320 -0.000 0.000 0.280 441 K C 0.681 177.280 176.600 -0.002 0.000 0.949 441 K CA 0.684 56.967 56.287 -0.007 0.000 0.817 441 K CB -1.881 30.629 32.500 0.016 0.000 1.535 441 K HN 1.449 nan 8.250 nan 0.000 0.444 442 G N -0.208 108.588 108.800 -0.007 0.000 2.321 442 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.287 442 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.287 442 G C 0.883 175.784 174.900 0.000 0.000 1.018 442 G CA 0.973 46.073 45.100 -0.001 0.000 0.855 442 G HN 1.668 nan 8.290 nan 0.000 0.507 443 G N -1.522 107.276 108.800 -0.003 0.000 2.160 443 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.251 443 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.251 443 G C 0.967 175.868 174.900 0.002 0.000 1.008 443 G CA 1.194 46.294 45.100 -0.001 0.000 0.724 443 G HN 0.955 nan 8.290 nan 0.000 0.514 444 R N -0.195 120.309 120.500 0.006 0.000 2.246 444 R HA 0.246 4.586 4.340 -0.000 0.000 0.199 444 R C 0.895 177.204 176.300 0.015 0.000 0.984 444 R CA 0.860 56.966 56.100 0.011 0.000 1.015 444 R CB 0.482 30.791 30.300 0.015 0.000 0.930 444 R HN 0.536 nan 8.270 nan 0.000 0.475 445 E N 1.223 121.433 120.200 0.017 0.000 2.263 445 E HA 0.161 4.511 4.350 -0.000 0.000 0.268 445 E C -1.253 175.364 176.600 0.027 0.000 0.884 445 E CA -0.475 55.941 56.400 0.027 0.000 0.766 445 E CB 1.580 31.305 29.700 0.042 0.000 1.196 445 E HN 0.051 nan 8.360 nan 0.000 0.416 446 S N 4.075 119.795 115.700 0.033 0.000 2.617 446 S HA 0.630 5.100 4.470 -0.000 0.000 0.283 446 S C 0.010 174.654 174.600 0.074 0.000 1.189 446 S CA -0.962 57.263 58.200 0.041 0.000 1.036 446 S CB 1.844 65.057 63.200 0.022 0.000 1.014 446 S HN 0.461 nan 8.310 nan 0.000 0.522 447 R N 0.244 120.804 120.500 0.100 0.000 2.919 447 R HA 0.380 4.720 4.340 -0.000 0.000 0.260 447 R C -1.255 175.160 176.300 0.192 0.000 1.067 447 R CA -0.726 55.454 56.100 0.133 0.000 1.003 447 R CB 1.117 31.493 30.300 0.128 0.000 1.192 447 R HN 0.771 nan 8.270 nan 0.000 0.488 448 D N 1.534 122.046 120.400 0.187 0.000 2.741 448 D HA 0.256 4.896 4.640 -0.000 0.000 0.233 448 D C -1.171 175.237 176.300 0.181 0.000 1.160 448 D CA -0.145 53.987 54.000 0.220 0.000 1.003 448 D CB -0.265 40.612 40.800 0.128 0.000 1.064 448 D HN 0.092 nan 8.370 nan 0.000 0.503 449 L N 1.449 122.844 121.223 0.287 0.000 2.493 449 L HA 0.677 5.017 4.340 -0.000 0.000 0.265 449 L C 0.051 177.174 176.870 0.421 0.000 0.954 449 L CA -0.589 54.399 54.840 0.246 0.000 0.844 449 L CB 1.941 44.132 42.059 0.219 0.000 1.302 449 L HN 0.163 nan 8.230 nan 0.000 0.405 450 G N 2.067 111.110 108.800 0.406 0.000 2.537 450 G HA2 0.372 4.331 3.960 -0.000 0.000 0.273 450 G HA3 0.372 4.331 3.960 -0.000 0.000 0.273 450 G C 0.657 175.830 174.900 0.455 0.000 1.189 450 G CA 0.077 45.545 45.100 0.614 0.000 0.881 450 G HN 0.680 nan 8.290 nan 0.000 0.535 451 V N 1.605 121.801 119.914 0.471 0.000 2.515 451 V HA -0.076 4.043 4.120 -0.000 0.000 0.250 451 V C 1.938 178.187 176.094 0.257 0.000 1.058 451 V CA 1.792 64.277 62.300 0.307 0.000 1.064 451 V CB -0.586 31.395 31.823 0.264 0.000 0.675 451 V HN 0.819 nan 8.190 nan 0.000 0.461 452 W N 1.128 122.524 121.300 0.159 0.000 2.333 452 W HA -0.223 4.437 4.660 -0.000 0.000 0.316 452 W C 2.036 178.598 176.519 0.073 0.000 1.215 452 W CA 2.348 59.701 57.345 0.014 0.000 1.278 452 W CB -0.344 29.166 29.460 0.084 0.000 1.154 452 W HN 0.372 nan 8.180 nan 0.000 0.486 453 E N 0.591 121.042 120.200 0.418 0.000 2.106 453 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 453 E C 1.939 178.744 176.600 0.341 0.000 0.984 453 E CA 1.411 58.026 56.400 0.359 0.000 0.806 453 E CB -1.079 28.734 29.700 0.189 0.000 0.750 453 E HN 0.206 nan 8.360 nan 0.000 0.458 454 L N 0.952 122.321 121.223 0.244 0.000 2.017 454 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 454 L C 2.209 179.096 176.870 0.029 0.000 1.073 454 L CA 2.544 57.480 54.840 0.159 0.000 0.745 454 L CB -1.271 40.868 42.059 0.133 0.000 0.894 454 L HN 0.336 nan 8.230 nan 0.000 0.432 455 T N -2.911 111.628 114.554 -0.025 0.000 2.777 455 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 455 T C 2.058 176.652 174.700 -0.177 0.000 1.040 455 T CA 1.344 63.375 62.100 -0.115 0.000 1.141 455 T CB -0.530 68.245 68.868 -0.154 0.000 0.868 455 T HN 0.359 nan 8.240 nan 0.000 0.444 456 R N 1.290 121.667 120.500 -0.205 0.000 2.096 456 R HA 0.179 4.519 4.340 -0.000 0.000 0.235 456 R C 2.954 179.100 176.300 -0.256 0.000 1.127 456 R CA 1.238 57.201 56.100 -0.227 0.000 0.968 456 R CB -0.643 29.523 30.300 -0.224 0.000 0.861 456 R HN 0.551 nan 8.270 nan 0.000 0.440 457 A N 0.482 123.138 122.820 -0.274 0.000 1.855 457 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 457 A C 2.349 179.579 177.584 -0.589 0.000 1.191 457 A CA 1.369 52.972 52.037 -0.724 0.000 0.613 457 A CB -0.905 17.709 19.000 -0.644 0.000 0.829 457 A HN 0.451 nan 8.150 nan 0.000 0.442 458 C N -0.560 118.555 119.300 -0.309 0.000 2.413 458 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 458 C C 2.685 177.555 174.990 -0.200 0.000 1.265 458 C CA 1.295 60.185 59.018 -0.212 0.000 1.752 458 C CB -1.258 26.408 27.740 -0.123 0.000 1.998 458 C HN 0.800 nan 8.230 nan 0.000 0.489 459 E N 1.112 121.189 120.200 -0.205 0.000 2.051 459 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 459 E C 2.212 178.706 176.600 -0.176 0.000 0.991 459 E CA 1.387 57.686 56.400 -0.168 0.000 0.799 459 E CB -0.219 29.378 29.700 -0.172 0.000 0.748 459 E HN 0.576 nan 8.360 nan 0.000 0.449 460 A N 1.045 123.709 122.820 -0.260 0.000 1.972 460 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 460 A C 2.161 179.634 177.584 -0.185 0.000 1.169 460 A CA 1.097 52.993 52.037 -0.236 0.000 0.635 460 A CB -0.570 18.195 19.000 -0.392 0.000 0.810 460 A HN 0.349 nan 8.150 nan 0.000 0.446 461 L N -1.733 119.342 121.223 -0.245 0.000 2.478 461 L HA 0.126 4.465 4.340 -0.000 0.000 0.223 461 L C 1.696 178.533 176.870 -0.055 0.000 1.140 461 L CA 0.682 55.446 54.840 -0.127 0.000 0.842 461 L CB -0.148 41.826 42.059 -0.142 0.000 0.953 461 L HN 0.618 nan 8.230 nan 0.000 0.452 462 G N -0.853 107.911 108.800 -0.061 0.000 2.205 462 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.180 462 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.180 462 G C 0.331 175.223 174.900 -0.013 0.000 1.004 462 G CA -0.237 44.852 45.100 -0.018 0.000 0.670 462 G HN 0.396 nan 8.290 nan 0.000 0.496 463 A N 0.268 123.065 122.820 -0.039 0.000 2.445 463 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 463 A C 1.568 179.133 177.584 -0.031 0.000 1.075 463 A CA 1.349 53.369 52.037 -0.029 0.000 0.777 463 A CB 0.685 19.655 19.000 -0.050 0.000 1.013 463 A HN 1.484 nan 8.150 nan 0.000 0.493 464 G N -0.021 108.771 108.800 -0.012 0.000 3.020 464 G HA2 0.399 4.359 3.960 -0.000 0.000 0.217 464 G HA3 0.399 4.359 3.960 -0.000 0.000 0.217 464 G C 0.286 175.169 174.900 -0.027 0.000 1.144 464 G CA 0.660 45.748 45.100 -0.020 0.000 0.760 464 G HN 0.828 nan 8.290 nan 0.000 0.548 465 E N -0.230 119.956 120.200 -0.023 0.000 2.380 465 E HA 0.396 4.746 4.350 -0.000 0.000 0.281 465 E C -1.705 174.876 176.600 -0.030 0.000 0.999 465 E CA -0.791 55.595 56.400 -0.023 0.000 0.800 465 E CB 1.705 31.408 29.700 0.004 0.000 1.228 465 E HN -0.164 nan 8.360 nan 0.000 0.436 466 I N 3.850 124.395 120.570 -0.042 0.000 2.362 466 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 466 I C -0.453 175.638 176.117 -0.043 0.000 0.994 466 I CA -0.773 60.497 61.300 -0.050 0.000 1.158 466 I CB 1.114 39.070 38.000 -0.075 0.000 1.315 466 I HN 0.500 nan 8.210 nan 0.000 0.451 467 L N 8.273 129.476 121.223 -0.033 0.000 2.288 467 L HA 0.349 4.688 4.340 -0.000 0.000 0.283 467 L C -0.547 176.297 176.870 -0.043 0.000 1.072 467 L CA -0.381 54.441 54.840 -0.030 0.000 0.862 467 L CB 0.552 42.605 42.059 -0.010 0.000 1.245 467 L HN 0.452 nan 8.230 nan 0.000 0.432 468 L N 5.800 126.982 121.223 -0.069 0.000 2.334 468 L HA 0.378 4.717 4.340 -0.000 0.000 0.286 468 L C 0.159 176.990 176.870 -0.065 0.000 1.108 468 L CA 0.386 55.180 54.840 -0.076 0.000 0.875 468 L CB -0.494 41.497 42.059 -0.114 0.000 1.246 468 L HN 0.596 nan 8.230 nan 0.000 0.439 469 N N 3.136 121.817 118.700 -0.031 0.000 2.364 469 N HA 0.332 5.071 4.740 -0.000 0.000 0.264 469 N C -0.926 174.585 175.510 0.000 0.000 1.263 469 N CA -0.351 52.694 53.050 -0.009 0.000 0.959 469 N CB 1.294 39.782 38.487 0.002 0.000 1.204 469 N HN 0.548 nan 8.380 nan 0.000 0.550 470 C N 1.341 120.652 119.300 0.019 0.000 2.892 470 C HA 0.361 4.821 4.460 -0.000 0.000 0.360 470 C C 1.747 176.757 174.990 0.034 0.000 1.054 470 C CA -0.677 58.366 59.018 0.042 0.000 1.326 470 C CB -1.387 26.381 27.740 0.047 0.000 1.806 470 C HN 0.783 nan 8.230 nan 0.000 0.490 471 I N 2.426 123.018 120.570 0.036 0.000 2.113 471 I HA -0.203 3.966 4.170 -0.000 0.000 0.242 471 I C 1.873 177.993 176.117 0.006 0.000 1.064 471 I CA 1.883 63.192 61.300 0.015 0.000 1.320 471 I CB -0.141 37.864 38.000 0.009 0.000 1.028 471 I HN 0.658 nan 8.210 nan 0.000 0.406 472 D N 0.693 121.100 120.400 0.012 0.000 2.263 472 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 472 D C 1.993 178.284 176.300 -0.015 0.000 0.971 472 D CA 1.035 55.032 54.000 -0.004 0.000 0.867 472 D CB -0.110 40.689 40.800 -0.002 0.000 0.929 472 D HN 0.325 nan 8.370 nan 0.000 0.492 473 K N 0.329 120.721 120.400 -0.013 0.000 2.354 473 K HA 0.028 4.347 4.320 -0.000 0.000 0.194 473 K C 0.388 176.955 176.600 -0.055 0.000 1.045 473 K CA -0.203 56.055 56.287 -0.048 0.000 1.026 473 K CB 0.159 32.625 32.500 -0.057 0.000 0.866 473 K HN 0.086 nan 8.250 nan 0.000 0.530 474 D N 1.151 121.533 120.400 -0.029 0.000 2.531 474 D HA -0.029 4.611 4.640 -0.000 0.000 0.239 474 D C 0.990 177.272 176.300 -0.029 0.000 1.144 474 D CA 1.682 55.668 54.000 -0.025 0.000 0.869 474 D CB 0.494 41.290 40.800 -0.007 0.000 1.160 474 D HN 0.467 nan 8.370 nan 0.000 0.484 475 G N 2.803 111.583 108.800 -0.034 0.000 2.212 475 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.266 475 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.266 475 G C 1.234 176.111 174.900 -0.039 0.000 0.978 475 G CA 1.201 46.285 45.100 -0.026 0.000 0.632 475 G HN 0.697 nan 8.290 nan 0.000 0.537 476 S N 0.367 116.031 115.700 -0.060 0.000 2.387 476 S HA -0.033 4.437 4.470 -0.000 0.000 0.226 476 S C 1.460 176.018 174.600 -0.071 0.000 1.026 476 S CA 1.357 59.517 58.200 -0.067 0.000 0.972 476 S CB -0.244 62.904 63.200 -0.087 0.000 0.814 476 S HN 1.181 nan 8.310 nan 0.000 0.477 477 N N 0.770 119.411 118.700 -0.098 0.000 2.782 477 N HA -0.131 4.609 4.740 -0.000 0.000 0.251 477 N C 0.388 175.880 175.510 -0.030 0.000 1.101 477 N CA 1.119 54.134 53.050 -0.058 0.000 0.764 477 N CB -1.928 36.555 38.487 -0.007 0.000 1.122 477 N HN 0.810 nan 8.380 nan 0.000 0.561 478 S N -1.070 114.518 115.700 -0.188 0.000 2.602 478 S HA 0.530 5.000 4.470 -0.000 0.000 0.240 478 S C 0.819 175.069 174.600 -0.583 0.000 0.992 478 S CA 0.647 58.715 58.200 -0.221 0.000 0.971 478 S CB 0.987 64.103 63.200 -0.140 0.000 0.855 478 S HN 1.086 nan 8.310 nan 0.000 0.481 479 G N 0.549 108.648 108.800 -1.169 0.000 2.612 479 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.686 479 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.686 479 G C -0.995 173.486 174.900 -0.698 0.000 1.274 479 G CA -1.009 43.315 45.100 -1.295 0.000 0.849 479 G HN 0.276 nan 8.290 nan 0.000 0.595 480 Y N 0.261 120.323 120.300 -0.398 0.000 2.301 480 Y HA 0.432 4.982 4.550 -0.000 0.000 0.328 480 Y C 1.098 176.892 175.900 -0.177 0.000 1.242 480 Y CA -0.218 57.720 58.100 -0.269 0.000 1.323 480 Y CB 0.838 39.133 38.460 -0.275 0.000 1.266 480 Y HN 0.521 nan 8.280 nan 0.000 0.527 481 D N 2.740 123.177 120.400 0.061 0.000 2.383 481 D HA 0.048 4.688 4.640 -0.000 0.000 0.245 481 D C 0.755 177.077 176.300 0.036 0.000 1.263 481 D CA 0.326 54.355 54.000 0.049 0.000 0.936 481 D CB 0.323 41.165 40.800 0.070 0.000 1.053 481 D HN 0.614 nan 8.370 nan 0.000 0.507 482 L N 2.793 124.049 121.223 0.055 0.000 2.083 482 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 482 L C 2.114 178.994 176.870 0.017 0.000 1.083 482 L CA 0.963 55.822 54.840 0.032 0.000 0.752 482 L CB -0.255 41.840 42.059 0.060 0.000 0.899 482 L HN 0.393 nan 8.230 nan 0.000 0.433 483 E N 0.091 120.343 120.200 0.086 0.000 2.204 483 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 483 E C 2.098 178.631 176.600 -0.112 0.000 0.989 483 E CA 0.711 57.125 56.400 0.023 0.000 0.824 483 E CB -0.057 29.784 29.700 0.235 0.000 0.756 483 E HN 0.261 nan 8.360 nan 0.000 0.477 484 L N 1.183 122.349 121.223 -0.094 0.000 2.027 484 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 484 L C 1.994 178.739 176.870 -0.209 0.000 1.074 484 L CA 1.476 56.120 54.840 -0.326 0.000 0.745 484 L CB -0.292 41.481 42.059 -0.476 0.000 0.898 484 L HN 0.070 nan 8.230 nan 0.000 0.433 485 I N -0.352 120.122 120.570 -0.160 0.000 2.127 485 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 485 I C 2.442 178.485 176.117 -0.124 0.000 1.075 485 I CA 1.308 62.517 61.300 -0.151 0.000 1.334 485 I CB -0.469 37.436 38.000 -0.159 0.000 1.040 485 I HN 0.302 nan 8.210 nan 0.000 0.405 486 E N -0.182 119.950 120.200 -0.113 0.000 2.110 486 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 486 E C 2.029 178.576 176.600 -0.088 0.000 0.988 486 E CA 1.352 57.694 56.400 -0.097 0.000 0.804 486 E CB -0.534 29.105 29.700 -0.101 0.000 0.745 486 E HN 0.564 nan 8.360 nan 0.000 0.458 487 H N 0.834 119.738 119.070 -0.277 0.000 2.321 487 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 487 H C 1.972 177.297 175.328 -0.004 0.000 1.087 487 H CA 1.710 57.630 56.048 -0.214 0.000 1.319 487 H CB -0.139 29.412 29.762 -0.353 0.000 1.379 487 H HN -0.072 nan 8.280 nan 0.000 0.501 488 V N 0.825 120.642 119.914 -0.161 0.000 2.453 488 V HA -0.151 3.968 4.120 -0.000 0.000 0.247 488 V C 2.362 178.330 176.094 -0.210 0.000 1.048 488 V CA 1.646 63.809 62.300 -0.229 0.000 1.049 488 V CB -0.334 31.386 31.823 -0.172 0.000 0.672 488 V HN 0.318 nan 8.190 nan 0.000 0.457 489 K N 0.090 120.407 120.400 -0.139 0.000 2.209 489 K HA -0.144 4.175 4.320 -0.000 0.000 0.204 489 K C 1.726 178.262 176.600 -0.106 0.000 1.048 489 K CA 1.125 57.346 56.287 -0.109 0.000 0.940 489 K CB -0.431 32.029 32.500 -0.065 0.000 0.729 489 K HN 0.462 nan 8.250 nan 0.000 0.451 490 D N 0.352 120.706 120.400 -0.077 0.000 2.194 490 D HA -0.035 4.605 4.640 -0.000 0.000 0.204 490 D C 1.707 177.895 176.300 -0.187 0.000 0.964 490 D CA 0.886 54.888 54.000 0.003 0.000 0.846 490 D CB 0.166 41.100 40.800 0.224 0.000 0.962 490 D HN 0.120 nan 8.370 nan 0.000 0.490 491 A N 0.595 123.102 122.820 -0.521 0.000 1.874 491 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 491 A C 1.324 178.516 177.584 -0.654 0.000 1.189 491 A CA 1.080 52.436 52.037 -1.136 0.000 0.615 491 A CB -0.215 17.989 19.000 -1.327 0.000 0.830 491 A HN 0.148 nan 8.150 nan 0.000 0.443 492 V N -4.603 115.067 119.914 -0.406 0.000 3.166 492 V HA 0.587 4.707 4.120 -0.000 0.000 0.317 492 V C 0.265 176.244 176.094 -0.191 0.000 1.136 492 V CA -0.732 61.401 62.300 -0.278 0.000 1.035 492 V CB 1.646 33.324 31.823 -0.241 0.000 1.110 492 V HN 0.212 nan 8.190 nan 0.000 0.450 493 K N 0.571 120.875 120.400 -0.161 0.000 2.373 493 K HA 0.424 4.744 4.320 -0.000 0.000 0.200 493 K C 0.448 176.971 176.600 -0.130 0.000 1.054 493 K CA 0.146 56.351 56.287 -0.138 0.000 1.065 493 K CB 0.467 32.889 32.500 -0.131 0.000 0.886 493 K HN 0.809 nan 8.250 nan 0.000 0.546 494 I N -0.195 120.302 120.570 -0.122 0.000 2.764 494 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 494 I C -2.545 173.523 176.117 -0.082 0.000 1.045 494 I CA -2.837 58.402 61.300 -0.101 0.000 1.340 494 I CB 0.109 38.054 38.000 -0.092 0.000 1.436 494 I HN -0.295 nan 8.210 nan 0.000 0.567 495 P HA 0.069 nan 4.420 nan 0.000 0.265 495 P C -0.847 176.433 177.300 -0.033 0.000 1.187 495 P CA 0.010 63.095 63.100 -0.025 0.000 0.766 495 P CB 0.594 32.292 31.700 -0.003 0.000 0.820 496 V N 5.338 125.233 119.914 -0.030 0.000 2.448 496 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 496 V C 0.310 176.368 176.094 -0.059 0.000 1.025 496 V CA -0.495 61.770 62.300 -0.059 0.000 0.859 496 V CB 1.419 33.190 31.823 -0.087 0.000 0.988 496 V HN 0.382 nan 8.190 nan 0.000 0.431 497 I N 4.057 124.587 120.570 -0.068 0.000 2.331 497 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 497 I C 0.737 176.741 176.117 -0.189 0.000 0.998 497 I CA -0.334 60.916 61.300 -0.084 0.000 1.267 497 I CB 1.587 39.569 38.000 -0.030 0.000 1.386 497 I HN 0.684 nan 8.210 nan 0.000 0.476 498 A N 5.255 127.865 122.820 -0.350 0.000 2.354 498 A HA 0.534 4.854 4.320 -0.000 0.000 0.281 498 A C 0.002 177.259 177.584 -0.545 0.000 1.174 498 A CA -0.007 51.639 52.037 -0.652 0.000 0.828 498 A CB 0.495 18.753 19.000 -1.237 0.000 1.099 498 A HN 0.648 nan 8.150 nan 0.000 0.516 499 S N 1.862 117.409 115.700 -0.255 0.000 2.569 499 S HA 0.757 5.227 4.470 -0.000 0.000 0.280 499 S C -0.647 174.029 174.600 0.126 0.000 1.111 499 S CA 0.204 58.413 58.200 0.014 0.000 0.887 499 S CB 0.916 64.112 63.200 -0.005 0.000 1.095 499 S HN 1.836 nan 8.310 nan 0.000 0.476 500 S N 1.151 116.930 115.700 0.132 0.000 2.834 500 S HA 0.224 4.694 4.470 -0.000 0.000 0.854 500 S C 0.637 175.214 174.600 -0.039 0.000 0.853 500 S CA 0.633 58.856 58.200 0.039 0.000 1.494 500 S CB -1.349 61.868 63.200 0.028 0.000 1.072 500 S HN 2.377 nan 8.310 nan 0.000 0.310 501 G N 0.961 109.644 108.800 -0.194 0.000 2.307 501 G HA2 0.165 4.125 3.960 -0.000 0.000 0.210 501 G HA3 0.165 4.125 3.960 -0.000 0.000 0.210 501 G C 0.351 174.886 174.900 -0.607 0.000 1.005 501 G CA 0.450 45.321 45.100 -0.382 0.000 0.634 501 G HN 2.247 nan 8.290 nan 0.000 0.496 502 A N 0.750 123.127 122.820 -0.738 0.000 2.546 502 A HA 0.595 4.914 4.320 -0.000 0.000 0.243 502 A C 1.481 178.957 177.584 -0.180 0.000 1.063 502 A CA 1.681 53.329 52.037 -0.647 0.000 0.757 502 A CB 0.431 19.054 19.000 -0.629 0.000 0.991 502 A HN 1.785 nan 8.150 nan 0.000 0.503 503 G N 1.075 109.969 108.800 0.156 0.000 2.613 503 G HA2 0.420 4.380 3.960 -0.000 0.000 0.208 503 G HA3 0.420 4.380 3.960 -0.000 0.000 0.208 503 G C 0.298 175.066 174.900 -0.219 0.000 1.318 503 G CA 0.771 45.877 45.100 0.009 0.000 0.559 503 G HN 1.735 nan 8.290 nan 0.000 1.015 504 V N -2.621 116.951 119.914 -0.570 0.000 3.001 504 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 504 V C -2.130 173.538 176.094 -0.709 0.000 1.099 504 V CA -2.118 59.648 62.300 -0.891 0.000 0.989 504 V CB 1.931 33.275 31.823 -0.797 0.000 1.040 504 V HN -0.015 nan 8.190 nan 0.000 0.434 505 P HA -0.154 nan 4.420 nan 0.000 0.217 505 P C 1.243 178.336 177.300 -0.346 0.000 1.151 505 P CA 1.838 64.610 63.100 -0.545 0.000 0.849 505 P CB 0.202 31.445 31.700 -0.762 0.000 0.787 506 E N -1.897 117.935 120.200 -0.614 0.000 2.209 506 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 506 E C 1.804 178.380 176.600 -0.039 0.000 0.993 506 E CA 1.101 57.309 56.400 -0.319 0.000 0.819 506 E CB -0.867 28.633 29.700 -0.334 0.000 0.745 506 E HN 0.556 nan 8.360 nan 0.000 0.477 507 H N -1.487 117.515 119.070 -0.113 0.000 2.389 507 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 507 H C 1.380 176.637 175.328 -0.119 0.000 1.081 507 H CA 0.830 56.756 56.048 -0.203 0.000 1.345 507 H CB -0.028 29.455 29.762 -0.466 0.000 1.393 507 H HN 0.149 nan 8.280 nan 0.000 0.520 508 F N 0.949 120.933 119.950 0.056 0.000 2.146 508 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 508 F C 2.604 178.465 175.800 0.102 0.000 1.096 508 F CA 1.087 59.129 58.000 0.069 0.000 1.275 508 F CB -0.326 38.780 39.000 0.178 0.000 1.008 508 F HN 0.175 nan 8.300 nan 0.000 0.480 509 E N 0.552 120.978 120.200 0.377 0.000 2.058 509 E HA -0.299 4.050 4.350 -0.000 0.000 0.194 509 E C 2.230 178.956 176.600 0.211 0.000 0.997 509 E CA 1.596 58.188 56.400 0.321 0.000 0.801 509 E CB -0.200 29.659 29.700 0.266 0.000 0.746 509 E HN 0.543 nan 8.360 nan 0.000 0.450 510 E N -0.131 120.154 120.200 0.142 0.000 2.058 510 E HA -0.231 4.118 4.350 -0.000 0.000 0.194 510 E C 1.943 178.574 176.600 0.050 0.000 0.997 510 E CA 1.200 57.657 56.400 0.095 0.000 0.801 510 E CB -0.165 29.585 29.700 0.082 0.000 0.746 510 E HN 0.308 nan 8.360 nan 0.000 0.450 511 A N 0.283 123.091 122.820 -0.021 0.000 1.877 511 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 511 A C 1.883 179.378 177.584 -0.148 0.000 1.186 511 A CA 1.354 53.290 52.037 -0.169 0.000 0.620 511 A CB -0.837 17.912 19.000 -0.418 0.000 0.822 511 A HN 0.350 nan 8.150 nan 0.000 0.443 512 F N -0.297 119.689 119.950 0.060 0.000 2.293 512 F HA 0.019 4.546 4.527 -0.000 0.000 0.300 512 F C 1.941 177.758 175.800 0.029 0.000 1.086 512 F CA 0.829 58.856 58.000 0.045 0.000 1.375 512 F CB -0.323 38.722 39.000 0.075 0.000 1.045 512 F HN 0.094 nan 8.300 nan 0.000 0.516 513 L N -1.167 120.178 121.223 0.203 0.000 2.425 513 L HA 0.038 4.378 4.340 -0.000 0.000 0.215 513 L C 1.868 178.785 176.870 0.079 0.000 1.065 513 L CA 0.641 55.558 54.840 0.128 0.000 0.842 513 L CB -0.229 41.904 42.059 0.123 0.000 1.033 513 L HN -0.069 nan 8.230 nan 0.000 0.474 514 K N -0.527 119.912 120.400 0.065 0.000 2.361 514 K HA 0.075 4.394 4.320 -0.000 0.000 0.194 514 K C 0.627 177.240 176.600 0.022 0.000 1.032 514 K CA 0.409 56.721 56.287 0.043 0.000 1.048 514 K CB 0.558 33.086 32.500 0.045 0.000 0.842 514 K HN 0.322 nan 8.250 nan 0.000 0.526 515 T N -2.665 111.896 114.554 0.011 0.000 2.865 515 T HA 0.348 4.698 4.350 -0.000 0.000 0.294 515 T C 0.048 174.750 174.700 0.003 0.000 1.119 515 T CA -0.994 61.098 62.100 -0.013 0.000 1.007 515 T CB 1.874 70.706 68.868 -0.059 0.000 1.225 515 T HN -0.091 nan 8.240 nan 0.000 0.515 516 R N 0.544 121.040 120.500 -0.006 0.000 2.555 516 R HA 0.490 4.829 4.340 -0.000 0.000 0.272 516 R C 0.849 177.165 176.300 0.027 0.000 1.089 516 R CA -0.259 55.855 56.100 0.023 0.000 1.126 516 R CB -0.277 30.037 30.300 0.024 0.000 1.250 516 R HN 0.777 nan 8.270 nan 0.000 0.551 517 A N 1.056 123.865 122.820 -0.018 0.000 2.540 517 A HA -0.055 4.265 4.320 -0.000 0.000 0.239 517 A C 0.445 178.084 177.584 0.091 0.000 1.061 517 A CA 0.153 52.157 52.037 -0.055 0.000 0.758 517 A CB 0.238 19.094 19.000 -0.240 0.000 0.991 517 A HN 0.300 nan 8.150 nan 0.000 0.502 518 D N 0.610 121.065 120.400 0.090 0.000 2.350 518 D HA 0.366 5.006 4.640 -0.000 0.000 0.213 518 D C 0.472 176.920 176.300 0.246 0.000 1.031 518 D CA 1.439 55.545 54.000 0.177 0.000 0.861 518 D CB 0.358 41.232 40.800 0.123 0.000 0.926 518 D HN 0.766 nan 8.370 nan 0.000 0.520 519 A N -0.331 122.620 122.820 0.218 0.000 2.567 519 A HA 0.485 4.805 4.320 -0.000 0.000 0.291 519 A C -1.660 175.962 177.584 0.064 0.000 1.048 519 A CA -0.617 51.592 52.037 0.288 0.000 0.661 519 A CB 1.127 20.254 19.000 0.211 0.000 1.288 519 A HN 0.158 nan 8.150 nan 0.000 0.424 520 C N 0.692 120.091 119.300 0.165 0.000 2.498 520 C HA 0.771 5.231 4.460 -0.000 0.000 0.316 520 C C -0.260 174.858 174.990 0.213 0.000 1.209 520 C CA -0.451 58.535 59.018 -0.054 0.000 1.518 520 C CB 0.814 28.431 27.740 -0.205 0.000 2.147 520 C HN 0.910 nan 8.230 nan 0.000 0.483 521 L N 3.020 124.311 121.223 0.113 0.000 2.334 521 L HA 0.908 5.248 4.340 -0.000 0.000 0.276 521 L C 0.071 177.108 176.870 0.278 0.000 1.014 521 L CA 0.200 55.174 54.840 0.224 0.000 0.815 521 L CB 1.510 43.638 42.059 0.115 0.000 1.268 521 L HN 0.832 nan 8.230 nan 0.000 0.428 522 G N 2.133 111.169 108.800 0.394 0.000 2.591 522 G HA2 0.685 4.645 3.960 -0.000 0.000 0.306 522 G HA3 0.685 4.645 3.960 -0.000 0.000 0.306 522 G C -0.674 174.297 174.900 0.117 0.000 1.334 522 G CA 0.142 45.343 45.100 0.168 0.000 0.981 522 G HN 0.952 nan 8.290 nan 0.000 0.491 523 A N 1.512 124.318 122.820 -0.024 0.000 2.039 523 A HA 0.686 5.006 4.320 -0.000 0.000 0.205 523 A C 2.284 179.927 177.584 0.099 0.000 2.297 523 A CA 1.234 53.321 52.037 0.084 0.000 1.472 523 A CB -0.758 18.287 19.000 0.074 0.000 1.030 523 A HN 1.423 nan 8.150 nan 0.000 0.511 524 G N 1.068 109.918 108.800 0.084 0.000 2.475 524 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 524 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 524 G C 1.633 176.580 174.900 0.080 0.000 1.125 524 G CA 1.890 47.072 45.100 0.135 0.000 0.755 524 G HN 0.752 nan 8.290 nan 0.000 0.565 525 M N -1.537 118.019 119.600 -0.074 0.000 2.213 525 M HA 0.145 4.624 4.480 -0.000 0.000 0.263 525 M C 2.071 178.376 176.300 0.008 0.000 1.062 525 M CA 1.493 56.740 55.300 -0.089 0.000 1.105 525 M CB -0.505 31.955 32.600 -0.232 0.000 1.385 525 M HN 0.052 nan 8.290 nan 0.000 0.417 526 F N 0.120 120.155 119.950 0.141 0.000 2.270 526 F HA 0.043 4.569 4.527 -0.000 0.000 0.295 526 F C 2.626 178.611 175.800 0.308 0.000 1.087 526 F CA 1.194 59.272 58.000 0.129 0.000 1.365 526 F CB -1.478 37.430 39.000 -0.154 0.000 1.056 526 F HN 0.302 nan 8.300 nan 0.000 0.506 527 H N 0.925 120.239 119.070 0.406 0.000 2.353 527 H HA -0.012 4.544 4.556 -0.000 0.000 0.300 527 H C 1.921 177.361 175.328 0.186 0.000 1.090 527 H CA 1.720 57.963 56.048 0.326 0.000 1.327 527 H CB -0.056 29.856 29.762 0.249 0.000 1.383 527 H HN 0.057 nan 8.280 nan 0.000 0.508 528 R N -0.630 119.889 120.500 0.032 0.000 2.323 528 R HA 0.085 4.425 4.340 -0.000 0.000 0.198 528 R C 1.161 177.448 176.300 -0.021 0.000 0.988 528 R CA 0.555 56.602 56.100 -0.089 0.000 1.041 528 R CB 0.213 30.485 30.300 -0.045 0.000 0.926 528 R HN 0.567 nan 8.270 nan 0.000 0.476 529 G N 1.466 110.309 108.800 0.073 0.000 2.168 529 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 529 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 529 G C 0.614 175.503 174.900 -0.017 0.000 0.977 529 G CA 0.740 45.875 45.100 0.059 0.000 0.659 529 G HN 0.466 nan 8.290 nan 0.000 0.533 530 E N -1.305 118.876 120.200 -0.032 0.000 2.110 530 E HA 0.132 4.481 4.350 -0.000 0.000 0.193 530 E C 0.444 176.731 176.600 -0.523 0.000 0.988 530 E CA 0.918 57.183 56.400 -0.225 0.000 0.804 530 E CB 0.082 29.743 29.700 -0.065 0.000 0.745 530 E HN 0.593 nan 8.360 nan 0.000 0.458 531 F N -0.697 119.286 119.950 0.054 0.000 2.631 531 F HA 0.223 4.750 4.527 -0.000 0.000 0.308 531 F C 0.238 176.173 175.800 0.225 0.000 1.097 531 F CA -1.118 56.934 58.000 0.086 0.000 0.952 531 F CB 1.936 40.958 39.000 0.036 0.000 1.307 531 F HN -0.260 nan 8.300 nan 0.000 0.450 532 T N -2.058 112.698 114.554 0.337 0.000 2.923 532 T HA 0.448 4.798 4.350 -0.000 0.000 0.281 532 T C 0.679 175.401 174.700 0.037 0.000 0.995 532 T CA -0.684 61.515 62.100 0.165 0.000 0.985 532 T CB 1.442 70.342 68.868 0.052 0.000 1.114 532 T HN 0.301 nan 8.240 nan 0.000 0.548 533 V N 1.450 121.157 119.914 -0.345 0.000 2.515 533 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 533 V C 2.576 178.545 176.094 -0.209 0.000 1.058 533 V CA 1.803 63.816 62.300 -0.477 0.000 1.064 533 V CB -1.246 30.213 31.823 -0.607 0.000 0.675 533 V HN 0.789 nan 8.190 nan 0.000 0.461 534 N N 0.345 118.963 118.700 -0.137 0.000 2.166 534 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 534 N C 1.544 177.040 175.510 -0.022 0.000 1.019 534 N CA 1.425 54.424 53.050 -0.084 0.000 0.856 534 N CB -0.294 38.153 38.487 -0.066 0.000 0.993 534 N HN 0.460 nan 8.380 nan 0.000 0.426 535 D N -0.162 120.262 120.400 0.039 0.000 2.104 535 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 535 D C 1.971 178.303 176.300 0.053 0.000 0.994 535 D CA 0.884 54.950 54.000 0.110 0.000 0.830 535 D CB -0.444 40.524 40.800 0.280 0.000 0.959 535 D HN 0.049 nan 8.370 nan 0.000 0.452 536 V N 1.311 121.199 119.914 -0.044 0.000 2.295 536 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 536 V C 2.418 178.479 176.094 -0.055 0.000 1.049 536 V CA 1.615 63.813 62.300 -0.170 0.000 1.024 536 V CB -0.366 31.179 31.823 -0.465 0.000 0.648 536 V HN 0.172 nan 8.190 nan 0.000 0.447 537 K N -0.503 119.852 120.400 -0.076 0.000 2.057 537 K HA -0.172 4.147 4.320 -0.000 0.000 0.207 537 K C 2.243 178.837 176.600 -0.010 0.000 1.049 537 K CA 1.333 57.585 56.287 -0.058 0.000 0.931 537 K CB -0.221 32.214 32.500 -0.108 0.000 0.714 537 K HN 0.408 nan 8.250 nan 0.000 0.440 538 E N 0.322 120.530 120.200 0.014 0.000 2.058 538 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 538 E C 1.905 178.557 176.600 0.087 0.000 0.997 538 E CA 1.310 57.733 56.400 0.039 0.000 0.801 538 E CB -0.426 29.307 29.700 0.055 0.000 0.746 538 E HN 0.372 nan 8.360 nan 0.000 0.450 539 Y N 1.309 121.612 120.300 0.005 0.000 2.145 539 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 539 Y C 2.296 178.237 175.900 0.068 0.000 1.145 539 Y CA 1.437 59.558 58.100 0.036 0.000 1.148 539 Y CB -0.312 38.116 38.460 -0.052 0.000 0.981 539 Y HN -0.063 nan 8.280 nan 0.000 0.507 540 L N -0.916 120.364 121.223 0.095 0.000 2.083 540 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 540 L C 2.357 179.221 176.870 -0.011 0.000 1.083 540 L CA 0.846 55.706 54.840 0.034 0.000 0.752 540 L CB -0.736 41.373 42.059 0.082 0.000 0.899 540 L HN 0.285 nan 8.230 nan 0.000 0.433 541 L N 0.384 121.595 121.223 -0.020 0.000 2.046 541 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 541 L C 2.514 179.356 176.870 -0.046 0.000 1.077 541 L CA 1.834 56.649 54.840 -0.042 0.000 0.747 541 L CB -0.631 41.402 42.059 -0.044 0.000 0.896 541 L HN 0.306 nan 8.230 nan 0.000 0.432 542 E N -1.676 118.500 120.200 -0.040 0.000 2.265 542 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 542 E C 0.801 177.289 176.600 -0.187 0.000 0.996 542 E CA 0.928 57.274 56.400 -0.089 0.000 0.832 542 E CB -0.003 29.655 29.700 -0.070 0.000 0.756 542 E HN 0.652 nan 8.360 nan 0.000 0.491 543 H N -1.464 117.458 119.070 -0.246 0.000 2.505 543 H HA 0.289 4.845 4.556 -0.000 0.000 0.289 543 H C 0.743 176.001 175.328 -0.117 0.000 1.052 543 H CA 0.558 56.483 56.048 -0.206 0.000 1.156 543 H CB 1.007 30.607 29.762 -0.271 0.000 1.507 543 H HN 0.298 nan 8.280 nan 0.000 0.548 544 G N 0.354 109.132 108.800 -0.037 0.000 2.143 544 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 544 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 544 G C 0.020 174.898 174.900 -0.038 0.000 0.981 544 G CA 0.059 45.135 45.100 -0.040 0.000 0.665 544 G HN 0.315 nan 8.290 nan 0.000 0.528 545 L N 0.077 121.277 121.223 -0.038 0.000 2.379 545 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 545 L C 0.391 177.197 176.870 -0.106 0.000 1.084 545 L CA -1.054 53.740 54.840 -0.076 0.000 0.802 545 L CB 1.006 43.018 42.059 -0.079 0.000 1.175 545 L HN -0.144 nan 8.230 nan 0.000 0.448 546 K N 2.508 122.824 120.400 -0.140 0.000 2.183 546 K HA 0.565 4.885 4.320 -0.000 0.000 0.274 546 K C -0.796 175.703 176.600 -0.168 0.000 1.009 546 K CA -0.377 55.827 56.287 -0.139 0.000 0.888 546 K CB 1.813 34.230 32.500 -0.137 0.000 1.078 546 K HN 0.419 nan 8.250 nan 0.000 0.459 547 V N -0.392 119.430 119.914 -0.154 0.000 2.971 547 V HA 0.514 4.634 4.120 -0.000 0.000 0.309 547 V C -0.107 175.868 176.094 -0.198 0.000 1.130 547 V CA -1.476 60.717 62.300 -0.179 0.000 0.964 547 V CB 1.947 33.672 31.823 -0.163 0.000 1.029 547 V HN 0.786 nan 8.190 nan 0.000 0.427 548 R N 3.629 123.960 120.500 -0.282 0.000 2.570 548 R HA 0.465 4.805 4.340 -0.000 0.000 0.277 548 R C -0.835 175.287 176.300 -0.297 0.000 1.039 548 R CA 0.051 55.934 56.100 -0.362 0.000 1.065 548 R CB 0.520 30.385 30.300 -0.726 0.000 0.964 548 R HN 0.763 nan 8.270 nan 0.000 0.428 549 M N 4.203 123.662 119.600 -0.235 0.000 2.060 549 M HA 0.275 4.755 4.480 -0.000 0.000 0.275 549 M C -1.475 174.730 176.300 -0.157 0.000 0.919 549 M CA -0.744 54.448 55.300 -0.180 0.000 0.970 549 M CB 1.105 33.629 32.600 -0.126 0.000 1.670 549 M HN 0.709 nan 8.290 nan 0.000 0.440 550 D N 0.000 120.297 120.400 -0.172 0.000 6.856 550 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 550 D CA 0.000 53.924 54.000 -0.126 0.000 0.868 550 D CB 0.000 40.716 40.800 -0.140 0.000 0.688 550 D HN 0.000 nan 8.370 nan 0.000 0.683