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 1ox5_1_A DATA FIRST_RESID -3 DATA SEQUENCE GSHXMPVVHV IDVESGNLQS LTNAIEHLGY EVQLVKSPKD FNISGTSRLI DATA SEQUENCE LPGVGNYGHF VDNLFNRGFE KPIREYIESG KPIMGIXVGL 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 TKXXXXXXXX XXXXXXXXXL GKPVQLAQKY YQQGADEVTF DATA SEQUENCE LNITXXXXCP 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 0.000 174.991 174.900 0.152 0.000 0.946 -3 G CA 0.000 45.201 45.100 0.168 0.000 0.502 -2 S N -0.102 115.725 115.700 0.211 0.000 2.551 -2 S HA 0.150 4.620 4.470 -0.000 0.000 0.236 -2 S C 0.373 175.056 174.600 0.138 0.000 0.915 -2 S CA 0.290 58.568 58.200 0.129 0.000 1.525 -2 S CB -0.563 62.695 63.200 0.097 0.000 1.256 -2 S HN 0.843 nan 8.310 nan 0.000 0.641 2 P HA 0.272 nan 4.420 nan 0.000 0.267 2 P C -0.886 176.466 177.300 0.086 0.000 1.205 2 P CA -0.270 62.799 63.100 -0.052 0.000 0.765 2 P CB 0.564 32.225 31.700 -0.065 0.000 0.828 3 V N 4.877 124.861 119.914 0.117 0.000 2.465 3 V HA 0.231 4.351 4.120 -0.000 0.000 0.279 3 V C 0.308 176.493 176.094 0.151 0.000 1.045 3 V CA -0.400 61.960 62.300 0.099 0.000 0.938 3 V CB 1.738 33.596 31.823 0.059 0.000 0.986 3 V HN 0.228 nan 8.190 nan 0.000 0.467 4 V N 4.576 124.536 119.914 0.078 0.000 2.409 4 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 4 V C -0.599 175.469 176.094 -0.042 0.000 1.020 4 V CA -0.775 61.574 62.300 0.082 0.000 0.848 4 V CB 1.379 33.228 31.823 0.045 0.000 0.990 4 V HN 0.893 nan 8.190 nan 0.000 0.430 5 H N 2.739 121.819 119.070 0.016 0.000 2.668 5 H HA 0.559 5.115 4.556 -0.000 0.000 0.303 5 H C -0.319 174.938 175.328 -0.118 0.000 1.074 5 H CA -0.184 55.835 56.048 -0.048 0.000 1.406 5 H CB 1.395 31.115 29.762 -0.069 0.000 1.442 5 H HN 0.421 nan 8.280 nan 0.000 0.482 6 V N 5.748 125.628 119.914 -0.057 0.000 2.409 6 V HA 0.198 4.318 4.120 -0.000 0.000 0.291 6 V C 0.382 176.388 176.094 -0.147 0.000 1.020 6 V CA -0.718 61.523 62.300 -0.099 0.000 0.848 6 V CB 1.280 33.064 31.823 -0.065 0.000 0.990 6 V HN 0.704 nan 8.190 nan 0.000 0.430 7 I N 4.047 124.476 120.570 -0.235 0.000 2.517 7 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 7 I C -0.146 175.844 176.117 -0.212 0.000 1.106 7 I CA 0.392 61.482 61.300 -0.350 0.000 1.402 7 I CB 0.662 38.323 38.000 -0.564 0.000 1.399 7 I HN 0.620 nan 8.210 nan 0.000 0.535 8 D N 6.183 126.492 120.400 -0.152 0.000 2.440 8 D HA 0.225 4.864 4.640 -0.000 0.000 0.239 8 D C 0.433 176.720 176.300 -0.021 0.000 1.084 8 D CA -0.556 53.415 54.000 -0.048 0.000 0.843 8 D CB 1.653 42.450 40.800 -0.005 0.000 1.097 8 D HN 0.282 nan 8.370 nan 0.000 0.531 9 V N 0.782 120.695 119.914 -0.001 0.000 3.577 9 V HA 0.242 4.361 4.120 -0.000 0.000 0.294 9 V C 0.303 176.427 176.094 0.050 0.000 1.317 9 V CA -0.190 62.114 62.300 0.005 0.000 1.169 9 V CB -1.389 30.406 31.823 -0.047 0.000 1.011 9 V HN 0.716 nan 8.190 nan 0.000 0.426 10 E N 0.095 120.336 120.200 0.068 0.000 2.297 10 E HA -0.212 4.138 4.350 -0.000 0.000 0.228 10 E C 0.234 176.914 176.600 0.134 0.000 1.213 10 E CA 0.833 57.285 56.400 0.087 0.000 0.712 10 E CB -1.574 28.169 29.700 0.072 0.000 1.202 10 E HN 0.769 nan 8.360 nan 0.000 0.376 11 S N -0.537 115.267 115.700 0.174 0.000 2.572 11 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 11 S C -0.021 174.760 174.600 0.303 0.000 1.150 11 S CA 0.374 58.745 58.200 0.286 0.000 0.944 11 S CB 1.780 65.164 63.200 0.308 0.000 1.071 11 S HN 1.032 nan 8.310 nan 0.000 0.479 12 G N 3.799 112.836 108.800 0.395 0.000 2.760 12 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.246 12 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.246 12 G C -0.623 174.345 174.900 0.113 0.000 1.359 12 G CA -0.356 44.876 45.100 0.219 0.000 0.861 12 G HN 0.987 nan 8.290 nan 0.000 0.541 13 N N -0.190 118.521 118.700 0.017 0.000 2.405 13 N HA 0.386 5.126 4.740 -0.000 0.000 0.260 13 N C 0.845 176.367 175.510 0.020 0.000 1.152 13 N CA -0.231 52.833 53.050 0.023 0.000 0.948 13 N CB 1.025 39.500 38.487 -0.020 0.000 1.111 13 N HN 0.689 nan 8.380 nan 0.000 0.485 14 L N 2.960 124.205 121.223 0.036 0.000 2.817 14 L HA 0.279 4.619 4.340 -0.000 0.000 0.248 14 L C 1.693 178.585 176.870 0.036 0.000 1.133 14 L CA 0.392 55.251 54.840 0.031 0.000 0.935 14 L CB -0.107 41.972 42.059 0.033 0.000 1.266 14 L HN 0.536 nan 8.230 nan 0.000 0.535 15 Q N -0.417 119.404 119.800 0.034 0.000 2.030 15 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 15 Q C 2.151 178.188 176.000 0.062 0.000 0.986 15 Q CA 1.994 57.817 55.803 0.033 0.000 0.843 15 Q CB -0.522 28.222 28.738 0.009 0.000 0.904 15 Q HN 0.475 nan 8.270 nan 0.000 0.420 16 S N 1.326 117.066 115.700 0.068 0.000 2.359 16 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 16 S C 1.953 176.678 174.600 0.209 0.000 1.035 16 S CA 1.129 59.419 58.200 0.151 0.000 1.018 16 S CB -0.363 62.908 63.200 0.118 0.000 0.876 16 S HN 0.230 nan 8.310 nan 0.000 0.448 17 L N 2.022 123.313 121.223 0.113 0.000 2.027 17 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 17 L C 2.355 179.270 176.870 0.076 0.000 1.074 17 L CA 2.103 56.987 54.840 0.073 0.000 0.745 17 L CB -1.520 40.554 42.059 0.024 0.000 0.898 17 L HN 0.366 nan 8.230 nan 0.000 0.433 18 T N -1.030 113.569 114.554 0.075 0.000 2.652 18 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 18 T C 1.773 176.545 174.700 0.120 0.000 1.039 18 T CA 1.543 63.687 62.100 0.074 0.000 1.153 18 T CB -0.662 68.241 68.868 0.058 0.000 0.863 18 T HN 0.338 nan 8.240 nan 0.000 0.428 19 N N 1.910 120.709 118.700 0.166 0.000 2.166 19 N HA 0.008 4.748 4.740 -0.000 0.000 0.186 19 N C 2.218 177.931 175.510 0.339 0.000 1.019 19 N CA 1.359 54.554 53.050 0.243 0.000 0.856 19 N CB -0.583 38.040 38.487 0.227 0.000 0.993 19 N HN 0.536 nan 8.380 nan 0.000 0.426 20 A N 1.239 124.223 122.820 0.273 0.000 1.898 20 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 20 A C 2.324 179.942 177.584 0.056 0.000 1.181 20 A CA 0.789 52.810 52.037 -0.027 0.000 0.620 20 A CB -0.516 18.365 19.000 -0.199 0.000 0.819 20 A HN 0.182 nan 8.150 nan 0.000 0.442 21 I N -0.499 120.115 120.570 0.074 0.000 2.252 21 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 21 I C 2.452 178.665 176.117 0.160 0.000 1.102 21 I CA 1.463 62.800 61.300 0.062 0.000 1.385 21 I CB -0.452 37.565 38.000 0.028 0.000 1.064 21 I HN 0.417 nan 8.210 nan 0.000 0.414 22 E N -0.154 120.148 120.200 0.170 0.000 2.106 22 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 22 E C 2.005 178.722 176.600 0.195 0.000 0.984 22 E CA 1.256 57.761 56.400 0.173 0.000 0.806 22 E CB -0.273 29.518 29.700 0.152 0.000 0.750 22 E HN 0.510 nan 8.360 nan 0.000 0.458 23 H N 0.613 119.765 119.070 0.137 0.000 2.489 23 H HA -0.010 4.546 4.556 -0.000 0.000 0.293 23 H C 1.585 176.984 175.328 0.117 0.000 1.066 23 H CA 0.992 57.123 56.048 0.138 0.000 1.305 23 H CB 0.024 29.891 29.762 0.175 0.000 1.386 23 H HN 0.062 nan 8.280 nan 0.000 0.551 24 L N -0.971 120.293 121.223 0.068 0.000 2.591 24 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 24 L C 1.334 178.316 176.870 0.186 0.000 1.133 24 L CA 0.529 55.422 54.840 0.089 0.000 0.880 24 L CB 0.251 42.408 42.059 0.162 0.000 1.033 24 L HN 0.617 nan 8.230 nan 0.000 0.450 25 G N -1.079 107.793 108.800 0.120 0.000 2.130 25 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 25 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 25 G C -0.316 174.490 174.900 -0.155 0.000 0.999 25 G CA -0.470 44.613 45.100 -0.030 0.000 0.686 25 G HN 0.202 nan 8.290 nan 0.000 0.515 26 Y N -0.264 120.018 120.300 -0.030 0.000 2.587 26 Y HA 0.712 5.261 4.550 -0.000 0.000 0.337 26 Y C 0.489 176.367 175.900 -0.036 0.000 1.065 26 Y CA -1.238 56.839 58.100 -0.038 0.000 1.126 26 Y CB 1.300 39.754 38.460 -0.011 0.000 1.279 26 Y HN 0.179 nan 8.280 nan 0.000 0.489 27 E N 0.778 121.040 120.200 0.103 0.000 2.179 27 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 27 E C -1.684 174.946 176.600 0.050 0.000 0.945 27 E CA -0.645 55.785 56.400 0.051 0.000 0.792 27 E CB 1.356 31.060 29.700 0.007 0.000 1.125 27 E HN 0.433 nan 8.360 nan 0.000 0.397 28 V N 3.726 123.659 119.914 0.030 0.000 2.427 28 V HA 0.216 4.336 4.120 -0.000 0.000 0.286 28 V C -0.379 175.683 176.094 -0.055 0.000 1.034 28 V CA -0.586 61.708 62.300 -0.010 0.000 0.893 28 V CB 1.397 33.229 31.823 0.014 0.000 0.982 28 V HN 0.641 nan 8.190 nan 0.000 0.452 29 Q N 4.515 124.229 119.800 -0.142 0.000 2.339 29 Q HA 0.507 4.847 4.340 -0.000 0.000 0.268 29 Q C -1.272 174.665 176.000 -0.106 0.000 1.027 29 Q CA -0.224 55.478 55.803 -0.168 0.000 0.759 29 Q CB 1.333 29.826 28.738 -0.407 0.000 1.244 29 Q HN 0.724 nan 8.270 nan 0.000 0.464 30 L N 3.691 124.895 121.223 -0.032 0.000 2.367 30 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 30 L C -0.482 176.405 176.870 0.029 0.000 1.129 30 L CA -0.796 54.039 54.840 -0.008 0.000 0.839 30 L CB 0.986 43.051 42.059 0.009 0.000 1.133 30 L HN 0.395 nan 8.230 nan 0.000 0.453 31 V N 4.279 124.199 119.914 0.011 0.000 2.284 31 V HA 0.189 4.309 4.120 -0.000 0.000 0.274 31 V C 0.636 176.808 176.094 0.129 0.000 1.023 31 V CA -0.531 61.812 62.300 0.071 0.000 0.808 31 V CB 0.932 32.709 31.823 -0.078 0.000 1.035 31 V HN 0.740 nan 8.190 nan 0.000 0.445 32 K N 1.669 122.177 120.400 0.180 0.000 2.356 32 K HA 0.211 4.531 4.320 -0.000 0.000 0.195 32 K C 0.791 177.585 176.600 0.324 0.000 1.037 32 K CA 0.363 56.771 56.287 0.201 0.000 1.014 32 K CB 0.677 33.247 32.500 0.117 0.000 0.815 32 K HN 0.565 nan 8.250 nan 0.000 0.507 33 S N -0.398 115.479 115.700 0.295 0.000 2.564 33 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 33 S C -2.539 172.034 174.600 -0.046 0.000 1.124 33 S CA -1.637 56.589 58.200 0.044 0.000 0.869 33 S CB 1.569 64.778 63.200 0.014 0.000 1.105 33 S HN -0.261 nan 8.310 nan 0.000 0.472 34 P HA 0.014 nan 4.420 nan 0.000 0.223 34 P C 0.507 177.838 177.300 0.052 0.000 1.144 34 P CA 0.997 63.988 63.100 -0.181 0.000 0.783 34 P CB 0.087 31.570 31.700 -0.363 0.000 0.771 35 K N -0.841 119.570 120.400 0.018 0.000 2.366 35 K HA -0.031 4.289 4.320 -0.000 0.000 0.198 35 K C 0.841 177.508 176.600 0.113 0.000 1.044 35 K CA 0.759 57.067 56.287 0.035 0.000 0.973 35 K CB -0.189 32.316 32.500 0.009 0.000 0.767 35 K HN 0.145 nan 8.250 nan 0.000 0.475 36 D N 0.335 120.861 120.400 0.210 0.000 2.349 36 D HA 0.010 4.650 4.640 -0.000 0.000 0.224 36 D C 0.015 176.550 176.300 0.391 0.000 1.029 36 D CA 0.495 54.647 54.000 0.253 0.000 0.879 36 D CB 0.032 40.968 40.800 0.227 0.000 0.906 36 D HN 0.204 nan 8.370 nan 0.000 0.528 37 F N -0.008 119.996 119.950 0.090 0.000 2.665 37 F HA 0.358 4.884 4.527 -0.000 0.000 0.308 37 F C -1.441 174.366 175.800 0.013 0.000 1.112 37 F CA -1.414 56.620 58.000 0.056 0.000 0.972 37 F CB 1.247 40.270 39.000 0.037 0.000 1.295 37 F HN -0.273 nan 8.300 nan 0.000 0.440 38 N N 4.193 122.729 118.700 -0.273 0.000 2.335 38 N HA 0.303 5.043 4.740 -0.000 0.000 0.304 38 N C 0.285 175.619 175.510 -0.292 0.000 1.135 38 N CA -0.789 52.052 53.050 -0.349 0.000 0.817 38 N CB 2.116 40.517 38.487 -0.143 0.000 1.294 38 N HN 0.621 nan 8.380 nan 0.000 0.497 39 I N 1.239 121.667 120.570 -0.237 0.000 2.127 39 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 39 I C 2.578 178.708 176.117 0.021 0.000 1.075 39 I CA 1.667 62.946 61.300 -0.035 0.000 1.334 39 I CB -1.811 36.167 38.000 -0.037 0.000 1.040 39 I HN 0.763 nan 8.210 nan 0.000 0.405 40 S N 0.757 116.444 115.700 -0.021 0.000 2.419 40 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 40 S C 1.913 176.529 174.600 0.026 0.000 1.016 40 S CA 0.964 59.163 58.200 -0.002 0.000 0.974 40 S CB -1.004 62.188 63.200 -0.014 0.000 0.786 40 S HN 0.482 nan 8.310 nan 0.000 0.492 41 G N 0.385 109.198 108.800 0.021 0.000 3.141 41 G HA2 0.344 4.304 3.960 -0.000 0.000 0.218 41 G HA3 0.344 4.304 3.960 -0.000 0.000 0.218 41 G C -0.079 174.855 174.900 0.058 0.000 1.170 41 G CA -0.109 45.023 45.100 0.053 0.000 0.769 41 G HN 0.475 nan 8.290 nan 0.000 0.546 42 T N 0.187 114.769 114.554 0.047 0.000 2.809 42 T HA 0.391 4.741 4.350 -0.000 0.000 0.284 42 T C 1.062 175.925 174.700 0.272 0.000 0.992 42 T CA -0.143 61.979 62.100 0.037 0.000 0.957 42 T CB 1.717 70.555 68.868 -0.051 0.000 0.942 42 T HN 0.146 nan 8.240 nan 0.000 0.439 43 S N 2.506 118.364 115.700 0.263 0.000 2.506 43 S HA 0.255 4.725 4.470 -0.000 0.000 0.219 43 S C 0.656 175.417 174.600 0.268 0.000 1.031 43 S CA -0.441 57.901 58.200 0.235 0.000 0.911 43 S CB 0.418 63.711 63.200 0.155 0.000 0.812 43 S HN 0.397 nan 8.310 nan 0.000 0.497 44 R N 0.945 121.615 120.500 0.282 0.000 2.518 44 R HA 0.528 4.868 4.340 -0.000 0.000 0.296 44 R C -2.023 174.403 176.300 0.211 0.000 1.080 44 R CA -0.435 55.809 56.100 0.241 0.000 0.922 44 R CB 1.516 31.895 30.300 0.131 0.000 1.184 44 R HN 0.325 nan 8.270 nan 0.000 0.445 45 L N 4.257 125.562 121.223 0.138 0.000 2.322 45 L HA 0.633 4.972 4.340 -0.000 0.000 0.281 45 L C -0.832 176.015 176.870 -0.039 0.000 1.014 45 L CA -0.461 54.310 54.840 -0.115 0.000 0.815 45 L CB 1.401 43.059 42.059 -0.669 0.000 1.247 45 L HN 0.556 nan 8.230 nan 0.000 0.421 46 I N 5.718 126.226 120.570 -0.103 0.000 2.436 46 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 46 I C -1.086 174.914 176.117 -0.195 0.000 1.010 46 I CA -0.787 60.414 61.300 -0.165 0.000 1.098 46 I CB 1.989 39.910 38.000 -0.132 0.000 1.266 46 I HN 0.424 nan 8.210 nan 0.000 0.434 47 L N 10.005 131.102 121.223 -0.211 0.000 2.360 47 L HA 0.522 4.862 4.340 -0.000 0.000 0.265 47 L C -2.426 174.330 176.870 -0.190 0.000 1.066 47 L CA -1.878 52.863 54.840 -0.165 0.000 0.929 47 L CB 0.395 42.390 42.059 -0.108 0.000 1.306 47 L HN 0.252 nan 8.230 nan 0.000 0.434 48 P HA 0.390 nan 4.420 nan 0.000 0.285 48 P C -0.452 176.637 177.300 -0.351 0.000 1.259 48 P CA -0.146 62.820 63.100 -0.224 0.000 0.794 48 P CB 1.661 33.280 31.700 -0.136 0.000 0.940 49 G N 1.475 109.937 108.800 -0.563 0.000 2.571 49 G HA2 0.642 4.601 3.960 -0.000 0.000 0.304 49 G HA3 0.642 4.601 3.960 -0.000 0.000 0.304 49 G C -1.523 173.054 174.900 -0.538 0.000 1.314 49 G CA -0.721 43.728 45.100 -1.085 0.000 0.975 49 G HN 0.366 nan 8.290 nan 0.000 0.485 50 V N 0.158 119.813 119.914 -0.432 0.000 3.000 50 V HA 0.930 5.050 4.120 -0.000 0.000 0.300 50 V C 0.712 176.762 176.094 -0.074 0.000 1.251 50 V CA 0.221 62.439 62.300 -0.136 0.000 0.972 50 V CB 0.969 32.768 31.823 -0.041 0.000 1.065 50 V HN 2.302 nan 8.190 nan 0.000 0.431 51 G N 2.677 111.456 108.800 -0.036 0.000 2.545 51 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.216 51 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.216 51 G C -0.290 174.587 174.900 -0.038 0.000 1.314 51 G CA 0.097 45.168 45.100 -0.048 0.000 0.906 51 G HN 1.170 nan 8.290 nan 0.000 0.563 52 N N 0.398 119.051 118.700 -0.079 0.000 2.483 52 N HA 0.092 4.832 4.740 -0.000 0.000 0.264 52 N C 1.316 176.854 175.510 0.047 0.000 1.197 52 N CA 0.679 53.716 53.050 -0.021 0.000 0.927 52 N CB 0.532 38.988 38.487 -0.051 0.000 1.065 52 N HN 0.667 nan 8.380 nan 0.000 0.461 53 Y N 4.014 124.257 120.300 -0.096 0.000 2.069 53 Y HA -0.207 4.343 4.550 -0.000 0.000 0.278 53 Y C 2.100 177.981 175.900 -0.032 0.000 1.175 53 Y CA 2.622 60.677 58.100 -0.075 0.000 1.134 53 Y CB -0.578 37.771 38.460 -0.185 0.000 0.965 53 Y HN 0.691 nan 8.280 nan 0.000 0.498 54 G N -1.256 107.600 108.800 0.094 0.000 2.418 54 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 54 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 54 G C 1.690 176.548 174.900 -0.070 0.000 1.158 54 G CA 1.030 46.127 45.100 -0.005 0.000 0.771 54 G HN 0.617 nan 8.290 nan 0.000 0.545 55 H N -0.502 118.506 119.070 -0.103 0.000 2.457 55 H HA -0.094 4.462 4.556 -0.000 0.000 0.297 55 H C 1.996 177.252 175.328 -0.119 0.000 1.092 55 H CA 1.485 57.464 56.048 -0.116 0.000 1.309 55 H CB -0.126 29.554 29.762 -0.137 0.000 1.382 55 H HN 0.362 nan 8.280 nan 0.000 0.535 56 F N 0.624 120.460 119.950 -0.189 0.000 2.164 56 F HA -0.036 4.491 4.527 -0.000 0.000 0.287 56 F C 2.431 178.009 175.800 -0.370 0.000 1.086 56 F CA 1.021 58.865 58.000 -0.261 0.000 1.249 56 F CB -0.774 38.079 39.000 -0.245 0.000 1.059 56 F HN -0.069 nan 8.300 nan 0.000 0.490 57 V N 1.047 120.568 119.914 -0.654 0.000 2.332 57 V HA -0.310 3.809 4.120 -0.000 0.000 0.248 57 V C 2.048 177.688 176.094 -0.757 0.000 1.055 57 V CA 2.232 63.989 62.300 -0.905 0.000 1.038 57 V CB -0.825 30.443 31.823 -0.924 0.000 0.651 57 V HN 0.320 nan 8.190 nan 0.000 0.450 58 D N 0.072 120.191 120.400 -0.467 0.000 2.084 58 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 58 D C 2.161 178.314 176.300 -0.245 0.000 0.990 58 D CA 1.338 55.169 54.000 -0.282 0.000 0.826 58 D CB -0.566 40.118 40.800 -0.193 0.000 0.971 58 D HN 0.347 nan 8.370 nan 0.000 0.453 59 N N 0.542 119.045 118.700 -0.329 0.000 2.069 59 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 59 N C 1.883 177.273 175.510 -0.200 0.000 1.031 59 N CA 0.596 53.483 53.050 -0.273 0.000 0.852 59 N CB -0.376 37.896 38.487 -0.358 0.000 1.018 59 N HN 0.127 nan 8.380 nan 0.000 0.423 60 L N 0.059 121.058 121.223 -0.375 0.000 1.994 60 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 60 L C 1.966 178.992 176.870 0.261 0.000 1.071 60 L CA 1.594 56.316 54.840 -0.197 0.000 0.745 60 L CB -0.873 40.836 42.059 -0.584 0.000 0.892 60 L HN 0.031 nan 8.230 nan 0.000 0.431 61 F N -0.362 119.521 119.950 -0.111 0.000 2.325 61 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 61 F C 2.524 178.302 175.800 -0.036 0.000 1.090 61 F CA 0.596 58.572 58.000 -0.040 0.000 1.392 61 F CB -1.414 37.550 39.000 -0.060 0.000 1.053 61 F HN 0.264 nan 8.300 nan 0.000 0.521 62 N N 0.794 119.570 118.700 0.127 0.000 2.166 62 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 62 N C 1.752 177.277 175.510 0.025 0.000 1.019 62 N CA 0.850 53.927 53.050 0.044 0.000 0.856 62 N CB -0.096 38.386 38.487 -0.009 0.000 0.993 62 N HN 0.266 nan 8.380 nan 0.000 0.426 63 R N -0.491 120.044 120.500 0.057 0.000 2.307 63 R HA 0.084 4.424 4.340 -0.000 0.000 0.199 63 R C 0.813 177.017 176.300 -0.160 0.000 1.000 63 R CA 0.577 56.675 56.100 -0.005 0.000 1.023 63 R CB 0.076 30.459 30.300 0.138 0.000 0.908 63 R HN 0.217 nan 8.270 nan 0.000 0.473 64 G N 0.412 109.165 108.800 -0.077 0.000 2.171 64 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.238 64 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.238 64 G C 0.306 175.099 174.900 -0.178 0.000 1.039 64 G CA -0.298 44.717 45.100 -0.140 0.000 0.759 64 G HN 0.361 nan 8.290 nan 0.000 0.501 65 F N -0.043 119.909 119.950 0.004 0.000 2.664 65 F HA 0.193 4.720 4.527 -0.000 0.000 0.296 65 F C 2.287 178.068 175.800 -0.031 0.000 1.125 65 F CA 1.035 59.056 58.000 0.035 0.000 1.444 65 F CB 0.199 39.229 39.000 0.050 0.000 1.114 65 F HN 0.401 nan 8.300 nan 0.000 0.576 66 E N 1.064 121.208 120.200 -0.094 0.000 2.033 66 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 66 E C 2.010 178.545 176.600 -0.108 0.000 1.011 66 E CA 1.620 57.812 56.400 -0.347 0.000 0.815 66 E CB 0.051 29.225 29.700 -0.877 0.000 0.755 66 E HN 0.371 nan 8.360 nan 0.000 0.451 67 K N -0.486 119.860 120.400 -0.090 0.000 2.057 67 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 67 K C -0.684 175.948 176.600 0.053 0.000 1.049 67 K CA 1.469 57.739 56.287 -0.029 0.000 0.931 67 K CB -0.809 31.658 32.500 -0.054 0.000 0.714 67 K HN 0.188 nan 8.250 nan 0.000 0.440 68 P HA -0.136 nan 4.420 nan 0.000 0.215 68 P C 1.299 178.795 177.300 0.327 0.000 1.153 68 P CA 1.174 64.389 63.100 0.192 0.000 0.853 68 P CB 0.041 31.935 31.700 0.323 0.000 0.788 69 I N -1.009 119.760 120.570 0.331 0.000 2.252 69 I HA -0.231 3.938 4.170 -0.000 0.000 0.245 69 I C 2.528 178.823 176.117 0.298 0.000 1.102 69 I CA 1.467 62.956 61.300 0.315 0.000 1.385 69 I CB -0.357 37.793 38.000 0.250 0.000 1.064 69 I HN -0.128 nan 8.210 nan 0.000 0.414 70 R N 0.473 121.111 120.500 0.231 0.000 2.075 70 R HA -0.159 4.180 4.340 -0.000 0.000 0.232 70 R C 2.157 178.562 176.300 0.174 0.000 1.126 70 R CA 1.286 57.524 56.100 0.230 0.000 0.963 70 R CB -0.247 30.138 30.300 0.142 0.000 0.858 70 R HN 0.401 nan 8.270 nan 0.000 0.435 71 E N -0.433 119.850 120.200 0.138 0.000 2.150 71 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 71 E C 1.556 178.214 176.600 0.097 0.000 0.985 71 E CA 1.030 57.481 56.400 0.085 0.000 0.814 71 E CB -0.036 29.692 29.700 0.047 0.000 0.752 71 E HN 0.321 nan 8.360 nan 0.000 0.466 72 Y N 0.786 121.134 120.300 0.080 0.000 2.220 72 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 72 Y C 1.875 177.816 175.900 0.068 0.000 1.129 72 Y CA 1.301 59.455 58.100 0.090 0.000 1.161 72 Y CB 0.014 38.580 38.460 0.177 0.000 0.997 72 Y HN -0.044 nan 8.280 nan 0.000 0.522 73 I N 0.117 120.784 120.570 0.161 0.000 2.286 73 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 73 I C 2.042 178.136 176.117 -0.039 0.000 1.115 73 I CA 1.668 62.996 61.300 0.047 0.000 1.392 73 I CB -0.353 37.681 38.000 0.057 0.000 1.065 73 I HN 0.305 nan 8.210 nan 0.000 0.418 74 E N 0.410 120.610 120.200 0.000 0.000 2.204 74 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 74 E C 2.173 178.729 176.600 -0.074 0.000 0.989 74 E CA 1.381 57.772 56.400 -0.016 0.000 0.824 74 E CB -0.000 29.709 29.700 0.015 0.000 0.756 74 E HN 0.485 nan 8.360 nan 0.000 0.477 75 S N -0.761 114.858 115.700 -0.136 0.000 2.515 75 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 75 S C 1.726 176.215 174.600 -0.185 0.000 0.987 75 S CA 0.674 58.770 58.200 -0.174 0.000 0.936 75 S CB 0.070 63.117 63.200 -0.255 0.000 0.766 75 S HN 0.379 nan 8.310 nan 0.000 0.528 76 G N 0.718 109.405 108.800 -0.188 0.000 2.179 76 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 76 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 76 G C -0.026 174.778 174.900 -0.160 0.000 0.977 76 G CA 0.337 45.350 45.100 -0.145 0.000 0.641 76 G HN 0.608 nan 8.290 nan 0.000 0.533 77 K N 0.936 121.158 120.400 -0.296 0.000 2.144 77 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 77 K C -2.443 174.135 176.600 -0.036 0.000 1.005 77 K CA -1.957 54.191 56.287 -0.232 0.000 0.932 77 K CB 0.909 33.191 32.500 -0.364 0.000 1.021 77 K HN -0.035 nan 8.250 nan 0.000 0.462 78 P HA -0.029 nan 4.420 nan 0.000 0.261 78 P C -0.797 176.880 177.300 0.628 0.000 1.183 78 P CA 0.543 63.833 63.100 0.317 0.000 0.761 78 P CB 0.307 32.019 31.700 0.020 0.000 0.785 79 I N 3.678 124.596 120.570 0.581 0.000 2.582 79 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 79 I C -1.175 174.907 176.117 -0.058 0.000 1.066 79 I CA -1.419 60.083 61.300 0.337 0.000 1.053 79 I CB 1.687 39.839 38.000 0.252 0.000 1.241 79 I HN 0.239 nan 8.210 nan 0.000 0.421 80 M N 6.744 126.067 119.600 -0.461 0.000 2.197 80 M HA 0.579 5.059 4.480 -0.000 0.000 0.301 80 M C -0.930 175.048 176.300 -0.537 0.000 0.987 80 M CA -0.436 54.356 55.300 -0.847 0.000 0.921 80 M CB 1.645 33.299 32.600 -1.578 0.000 1.569 80 M HN 0.700 nan 8.290 nan 0.000 0.431 81 G N 5.582 114.076 108.800 -0.510 0.000 2.379 81 G HA2 0.715 4.675 3.960 -0.000 0.000 0.327 81 G HA3 0.715 4.675 3.960 -0.000 0.000 0.327 81 G C -0.934 173.657 174.900 -0.514 0.000 1.145 81 G CA -0.539 44.322 45.100 -0.398 0.000 0.905 81 G HN 0.767 nan 8.290 nan 0.000 0.466 85 G N 0.430 108.962 108.800 -0.447 0.000 2.448 85 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 85 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 85 G C 1.293 176.100 174.900 -0.155 0.000 1.135 85 G CA 1.281 46.217 45.100 -0.272 0.000 0.784 85 G HN 0.469 nan 8.290 nan 0.000 0.543 86 L N -0.685 120.427 121.223 -0.186 0.000 2.202 86 L HA 0.168 4.507 4.340 -0.000 0.000 0.205 86 L C 2.772 179.725 176.870 0.138 0.000 1.083 86 L CA 0.721 55.517 54.840 -0.073 0.000 0.790 86 L CB -0.150 41.806 42.059 -0.173 0.000 0.942 86 L HN 0.162 nan 8.230 nan 0.000 0.452 87 Q N 0.205 120.037 119.800 0.053 0.000 2.170 87 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 87 Q C 2.215 178.486 176.000 0.451 0.000 0.976 87 Q CA 1.320 57.217 55.803 0.157 0.000 0.858 87 Q CB -0.287 28.554 28.738 0.170 0.000 0.907 87 Q HN 0.693 nan 8.270 nan 0.000 0.433 88 A N 1.030 124.021 122.820 0.286 0.000 2.070 88 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 88 A C 1.981 179.748 177.584 0.306 0.000 1.159 88 A CA 0.810 52.993 52.037 0.242 0.000 0.656 88 A CB -0.472 18.624 19.000 0.160 0.000 0.800 88 A HN 0.282 nan 8.150 nan 0.000 0.453 89 L N -1.628 119.777 121.223 0.302 0.000 2.376 89 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 89 L C 0.633 177.516 176.870 0.022 0.000 1.133 89 L CA -0.036 54.931 54.840 0.212 0.000 0.816 89 L CB -0.364 41.711 42.059 0.027 0.000 0.933 89 L HN 0.288 nan 8.230 nan 0.000 0.449 90 F N -0.788 119.148 119.950 -0.024 0.000 2.291 90 F HA 0.297 4.824 4.527 -0.000 0.000 0.305 90 F C 1.544 177.303 175.800 -0.068 0.000 1.171 90 F CA -0.084 57.820 58.000 -0.160 0.000 1.090 90 F CB 0.232 39.045 39.000 -0.312 0.000 1.436 90 F HN -0.288 nan 8.300 nan 0.000 0.509 91 A N -0.084 122.786 122.820 0.083 0.000 2.067 91 A HA 0.432 4.752 4.320 -0.000 0.000 0.219 91 A C 1.002 178.617 177.584 0.053 0.000 1.158 91 A CA 1.451 53.521 52.037 0.054 0.000 0.661 91 A CB -1.018 18.010 19.000 0.046 0.000 0.801 91 A HN 1.133 nan 8.150 nan 0.000 0.452 92 G N -2.539 106.255 108.800 -0.011 0.000 2.352 92 G HA2 0.418 4.378 3.960 -0.000 0.000 0.283 92 G HA3 0.418 4.378 3.960 -0.000 0.000 0.283 92 G C -0.812 173.724 174.900 -0.607 0.000 1.308 92 G CA 0.207 45.182 45.100 -0.209 0.000 0.892 92 G HN 0.951 nan 8.290 nan 0.000 0.504 93 S N -2.037 113.127 115.700 -0.893 0.000 2.546 93 S HA 0.546 5.016 4.470 -0.000 0.000 0.274 93 S C 0.613 174.919 174.600 -0.490 0.000 1.121 93 S CA 0.333 58.049 58.200 -0.806 0.000 0.887 93 S CB 1.892 64.329 63.200 -1.272 0.000 1.094 93 S HN 1.568 nan 8.310 nan 0.000 0.474 94 V N 3.452 123.158 119.914 -0.347 0.000 3.305 94 V HA 0.024 4.144 4.120 -0.000 0.000 0.269 94 V C 2.117 178.005 176.094 -0.344 0.000 1.157 94 V CA 2.130 64.303 62.300 -0.211 0.000 1.157 94 V CB -0.538 31.272 31.823 -0.022 0.000 0.772 94 V HN 0.953 nan 8.190 nan 0.000 0.498 95 E N -0.048 119.687 120.200 -0.775 0.000 2.208 95 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 95 E C 0.510 176.888 176.600 -0.371 0.000 0.988 95 E CA 0.974 56.801 56.400 -0.954 0.000 0.828 95 E CB 0.192 29.031 29.700 -1.435 0.000 0.763 95 E HN 0.557 nan 8.360 nan 0.000 0.478 96 S N 1.001 116.544 115.700 -0.262 0.000 2.293 96 S HA 0.201 4.671 4.470 -0.000 0.000 0.154 96 S C -2.262 172.286 174.600 -0.086 0.000 1.602 96 S CA -0.979 57.163 58.200 -0.096 0.000 1.260 96 S CB 1.491 64.707 63.200 0.027 0.000 1.270 96 S HN 0.082 nan 8.310 nan 0.000 0.416 97 P HA -0.214 nan 4.420 nan 0.000 0.219 97 P C 1.056 178.335 177.300 -0.035 0.000 1.161 97 P CA 1.531 64.592 63.100 -0.064 0.000 0.909 97 P CB 0.144 31.819 31.700 -0.042 0.000 0.793 98 K N -1.027 119.363 120.400 -0.018 0.000 2.486 98 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 98 K C 0.735 177.342 176.600 0.011 0.000 1.033 98 K CA 0.241 56.527 56.287 -0.002 0.000 1.004 98 K CB -0.126 32.373 32.500 -0.001 0.000 0.798 98 K HN 0.147 nan 8.250 nan 0.000 0.495 99 S N 0.425 116.139 115.700 0.023 0.000 2.603 99 S HA 0.104 4.573 4.470 -0.000 0.000 0.268 99 S C 0.266 174.918 174.600 0.086 0.000 1.317 99 S CA -0.335 57.898 58.200 0.053 0.000 1.012 99 S CB 1.587 64.861 63.200 0.123 0.000 0.926 99 S HN 0.132 nan 8.310 nan 0.000 0.539 100 T N 0.002 114.605 114.554 0.082 0.000 2.905 100 T HA 0.763 5.113 4.350 -0.000 0.000 0.283 100 T C 0.052 174.847 174.700 0.157 0.000 1.031 100 T CA -0.271 61.903 62.100 0.124 0.000 1.002 100 T CB 1.159 70.120 68.868 0.155 0.000 1.200 100 T HN 0.721 nan 8.240 nan 0.000 0.560 101 G N 0.048 108.974 108.800 0.209 0.000 2.798 101 G HA2 0.533 4.492 3.960 -0.000 0.000 0.286 101 G HA3 0.533 4.492 3.960 -0.000 0.000 0.286 101 G C 0.362 175.435 174.900 0.288 0.000 1.389 101 G CA -0.769 44.484 45.100 0.254 0.000 0.894 101 G HN 0.743 nan 8.290 nan 0.000 0.488 102 L N -0.223 121.177 121.223 0.295 0.000 2.465 102 L HA 0.026 4.366 4.340 -0.000 0.000 0.224 102 L C 1.437 178.240 176.870 -0.113 0.000 1.145 102 L CA 0.726 55.664 54.840 0.163 0.000 0.834 102 L CB -0.358 41.892 42.059 0.318 0.000 0.944 102 L HN 0.718 nan 8.230 nan 0.000 0.451 103 N N -1.565 117.127 118.700 -0.014 0.000 2.721 103 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 103 N C 0.474 175.891 175.510 -0.155 0.000 1.072 103 N CA 0.484 53.487 53.050 -0.078 0.000 0.710 103 N CB -1.317 37.134 38.487 -0.059 0.000 0.993 103 N HN 0.353 nan 8.380 nan 0.000 0.547 104 Y N -0.445 119.835 120.300 -0.033 0.000 2.337 104 Y HA 0.230 4.780 4.550 -0.000 0.000 0.293 104 Y C 1.095 176.959 175.900 -0.059 0.000 1.123 104 Y CA 0.738 58.865 58.100 0.045 0.000 1.201 104 Y CB 0.375 38.932 38.460 0.161 0.000 1.011 104 Y HN 0.251 nan 8.280 nan 0.000 0.545 105 I N 1.646 122.044 120.570 -0.287 0.000 2.355 105 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 105 I C -0.418 175.490 176.117 -0.348 0.000 0.999 105 I CA -0.692 60.251 61.300 -0.594 0.000 1.163 105 I CB 1.251 38.373 38.000 -1.463 0.000 1.316 105 I HN 0.115 nan 8.210 nan 0.000 0.454 106 D N 7.292 127.634 120.400 -0.096 0.000 2.856 106 D HA 0.021 4.661 4.640 -0.000 0.000 0.242 106 D C -0.419 175.987 176.300 0.177 0.000 1.226 106 D CA -0.022 53.999 54.000 0.036 0.000 0.855 106 D CB -0.373 40.473 40.800 0.076 0.000 1.065 106 D HN 0.291 nan 8.370 nan 0.000 0.462 107 F N -1.998 117.994 119.950 0.069 0.000 2.662 107 F HA 0.613 5.140 4.527 -0.000 0.000 0.312 107 F C -0.890 174.990 175.800 0.133 0.000 1.113 107 F CA -1.479 56.574 58.000 0.089 0.000 0.951 107 F CB 1.184 40.230 39.000 0.076 0.000 1.344 107 F HN -0.383 nan 8.300 nan 0.000 0.462 108 K N 1.595 122.182 120.400 0.311 0.000 2.118 108 K HA 0.604 4.924 4.320 -0.000 0.000 0.254 108 K C -1.236 175.404 176.600 0.066 0.000 0.961 108 K CA -0.913 55.418 56.287 0.075 0.000 0.876 108 K CB 1.973 34.470 32.500 -0.005 0.000 1.077 108 K HN 0.553 nan 8.250 nan 0.000 0.440 109 L N 1.553 122.662 121.223 -0.190 0.000 2.397 109 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 109 L C 0.401 177.222 176.870 -0.081 0.000 1.148 109 L CA 0.389 55.104 54.840 -0.207 0.000 0.825 109 L CB 1.055 42.899 42.059 -0.359 0.000 1.117 109 L HN 0.732 nan 8.230 nan 0.000 0.456 110 S N 2.149 117.828 115.700 -0.035 0.000 2.677 110 S HA 0.673 5.142 4.470 -0.000 0.000 0.304 110 S C -0.487 174.083 174.600 -0.050 0.000 1.108 110 S CA -1.107 57.105 58.200 0.020 0.000 0.944 110 S CB 1.601 64.786 63.200 -0.026 0.000 1.127 110 S HN 0.539 nan 8.310 nan 0.000 0.511 111 R N 0.000 120.450 120.500 -0.084 0.000 2.441 111 R HA 0.410 4.749 4.340 -0.000 0.000 0.284 111 R C -0.906 175.193 176.300 -0.334 0.000 1.070 111 R CA -0.574 55.253 56.100 -0.455 0.000 1.047 111 R CB 0.230 30.257 30.300 -0.454 0.000 1.016 111 R HN 0.671 nan 8.270 nan 0.000 0.477 112 F N 1.592 121.326 119.950 -0.359 0.000 2.545 112 F HA -0.084 4.443 4.527 -0.000 0.000 0.348 112 F C 1.127 176.791 175.800 -0.227 0.000 1.163 112 F CA 0.138 57.981 58.000 -0.262 0.000 1.331 112 F CB 0.432 39.273 39.000 -0.264 0.000 1.138 112 F HN 0.519 nan 8.300 nan 0.000 0.602 113 D N 2.506 122.940 120.400 0.056 0.000 2.346 113 D HA -0.005 4.634 4.640 -0.000 0.000 0.260 113 D C 0.389 176.621 176.300 -0.113 0.000 1.252 113 D CA -0.379 53.593 54.000 -0.047 0.000 0.895 113 D CB 0.492 41.264 40.800 -0.047 0.000 1.097 113 D HN 0.436 nan 8.370 nan 0.000 0.489 114 D N 1.036 121.366 120.400 -0.115 0.000 2.340 114 D HA -0.116 4.524 4.640 -0.000 0.000 0.220 114 D C 1.357 177.573 176.300 -0.140 0.000 1.039 114 D CA 0.330 54.241 54.000 -0.148 0.000 0.866 114 D CB -0.237 40.486 40.800 -0.129 0.000 0.913 114 D HN 0.243 nan 8.370 nan 0.000 0.523 115 S N 0.501 116.134 115.700 -0.112 0.000 2.428 115 S HA -0.172 4.298 4.470 -0.000 0.000 0.230 115 S C 1.676 176.220 174.600 -0.093 0.000 1.014 115 S CA 0.846 58.994 58.200 -0.086 0.000 0.957 115 S CB -0.459 62.704 63.200 -0.061 0.000 0.784 115 S HN 0.563 nan 8.310 nan 0.000 0.499 116 E N 1.312 121.432 120.200 -0.134 0.000 2.413 116 E HA 0.233 4.583 4.350 -0.000 0.000 0.203 116 E C 0.503 176.967 176.600 -0.227 0.000 0.957 116 E CA -0.269 56.056 56.400 -0.124 0.000 0.950 116 E CB 0.046 29.681 29.700 -0.109 0.000 0.957 116 E HN 0.701 nan 8.360 nan 0.000 0.497 117 K N -0.084 120.053 120.400 -0.438 0.000 2.548 117 K HA 0.513 4.833 4.320 -0.000 0.000 0.282 117 K C -3.268 173.001 176.600 -0.552 0.000 1.006 117 K CA -2.458 53.309 56.287 -0.866 0.000 0.892 117 K CB 1.479 33.130 32.500 -1.415 0.000 1.499 117 K HN -0.296 nan 8.250 nan 0.000 0.433 118 P HA 0.239 nan 4.420 nan 0.000 0.279 118 P C -1.094 176.110 177.300 -0.160 0.000 1.239 118 P CA -0.570 62.386 63.100 -0.239 0.000 0.789 118 P CB 1.078 32.689 31.700 -0.148 0.000 0.933 119 V N 4.951 124.781 119.914 -0.140 0.000 2.588 119 V HA 0.404 4.523 4.120 -0.000 0.000 0.304 119 V C -2.061 173.958 176.094 -0.125 0.000 1.042 119 V CA -2.081 60.145 62.300 -0.124 0.000 0.877 119 V CB 1.992 33.737 31.823 -0.130 0.000 0.996 119 V HN 0.568 nan 8.190 nan 0.000 0.425 120 P HA 0.091 nan 4.420 nan 0.000 0.271 120 P C -0.546 176.614 177.300 -0.234 0.000 1.233 120 P CA -0.235 62.769 63.100 -0.160 0.000 0.789 120 P CB 0.997 32.630 31.700 -0.112 0.000 0.951 121 E N 1.308 121.244 120.200 -0.440 0.000 2.223 121 E HA 0.303 4.653 4.350 -0.000 0.000 0.282 121 E C -0.801 175.551 176.600 -0.414 0.000 1.046 121 E CA -0.362 55.570 56.400 -0.780 0.000 0.857 121 E CB -0.045 28.793 29.700 -1.437 0.000 1.055 121 E HN 0.323 nan 8.360 nan 0.000 0.409 122 I N 4.899 125.278 120.570 -0.318 0.000 2.468 122 I HA 0.565 4.735 4.170 -0.000 0.000 0.284 122 I C 0.226 176.247 176.117 -0.160 0.000 1.038 122 I CA -0.493 60.677 61.300 -0.217 0.000 1.083 122 I CB 1.546 39.507 38.000 -0.065 0.000 1.223 122 I HN 0.775 nan 8.210 nan 0.000 0.443 123 G N 4.682 113.302 108.800 -0.300 0.000 2.356 123 G HA2 0.136 4.096 3.960 -0.000 0.000 0.288 123 G HA3 0.136 4.096 3.960 -0.000 0.000 0.288 123 G C -2.465 172.355 174.900 -0.132 0.000 1.302 123 G CA -0.959 44.108 45.100 -0.054 0.000 0.887 123 G HN 0.344 nan 8.290 nan 0.000 0.521 124 W N 1.719 123.115 121.300 0.160 0.000 2.308 124 W HA 0.687 5.346 4.660 -0.000 0.000 0.311 124 W C 0.292 176.864 176.519 0.089 0.000 1.088 124 W CA -0.570 56.886 57.345 0.185 0.000 1.309 124 W CB 1.227 30.766 29.460 0.132 0.000 1.229 124 W HN 0.535 nan 8.180 nan 0.000 0.427 125 N N 1.174 120.049 118.700 0.291 0.000 2.531 125 N HA 0.542 5.282 4.740 -0.000 0.000 0.290 125 N C -0.724 174.900 175.510 0.190 0.000 1.257 125 N CA -0.421 52.665 53.050 0.060 0.000 0.863 125 N CB 1.925 40.190 38.487 -0.370 0.000 1.320 125 N HN 0.294 nan 8.380 nan 0.000 0.538 126 S N -0.855 114.887 115.700 0.070 0.000 2.634 126 S HA 0.583 5.052 4.470 -0.000 0.000 0.296 126 S C -0.569 174.099 174.600 0.113 0.000 1.104 126 S CA -0.721 57.545 58.200 0.110 0.000 0.920 126 S CB 0.563 63.744 63.200 -0.032 0.000 1.111 126 S HN 0.524 nan 8.310 nan 0.000 0.493 127 C N 1.942 121.326 119.300 0.140 0.000 2.435 127 C HA 0.461 4.921 4.460 -0.000 0.000 0.375 127 C C 0.707 175.704 174.990 0.012 0.000 1.281 127 C CA -0.793 58.276 59.018 0.085 0.000 1.963 127 C CB -1.127 26.669 27.740 0.094 0.000 2.490 127 C HN 0.741 nan 8.230 nan 0.000 0.557 128 I N 5.272 125.850 120.570 0.013 0.000 2.556 128 I HA 0.133 4.303 4.170 -0.000 0.000 0.284 128 I C -1.809 174.299 176.117 -0.014 0.000 1.114 128 I CA -1.126 60.180 61.300 0.011 0.000 1.418 128 I CB 0.324 38.338 38.000 0.023 0.000 1.394 128 I HN 0.405 nan 8.210 nan 0.000 0.552 129 P HA -0.026 nan 4.420 nan 0.000 0.261 129 P C -0.599 176.710 177.300 0.016 0.000 1.173 129 P CA 0.405 63.491 63.100 -0.024 0.000 0.760 129 P CB 0.573 32.265 31.700 -0.013 0.000 0.783 130 S N 1.531 117.247 115.700 0.026 0.000 2.596 130 S HA 0.238 4.708 4.470 -0.000 0.000 0.270 130 S C 0.537 175.168 174.600 0.051 0.000 1.155 130 S CA -0.640 57.585 58.200 0.043 0.000 0.827 130 S CB 1.082 64.310 63.200 0.047 0.000 1.130 130 S HN 0.284 nan 8.310 nan 0.000 0.467 131 E N 1.278 121.515 120.200 0.061 0.000 2.299 131 E HA 0.099 4.449 4.350 -0.000 0.000 0.193 131 E C 0.151 176.795 176.600 0.073 0.000 0.998 131 E CA 0.361 56.798 56.400 0.061 0.000 0.851 131 E CB -0.059 29.676 29.700 0.058 0.000 0.795 131 E HN 0.485 nan 8.360 nan 0.000 0.492 132 N N 0.968 119.726 118.700 0.096 0.000 2.320 132 N HA 0.131 4.870 4.740 -0.000 0.000 0.237 132 N C 0.259 175.889 175.510 0.199 0.000 1.129 132 N CA 0.036 53.178 53.050 0.153 0.000 0.854 132 N CB 0.735 39.333 38.487 0.186 0.000 1.083 132 N HN 0.117 nan 8.380 nan 0.000 0.504 133 L N 0.763 122.015 121.223 0.049 0.000 2.464 133 L HA 0.288 4.628 4.340 -0.000 0.000 0.264 133 L C 0.003 176.821 176.870 -0.086 0.000 1.199 133 L CA -0.086 54.649 54.840 -0.175 0.000 0.818 133 L CB 0.216 42.192 42.059 -0.139 0.000 1.102 133 L HN 0.047 nan 8.230 nan 0.000 0.473 134 F N -2.087 117.891 119.950 0.046 0.000 2.685 134 F HA 0.493 5.020 4.527 -0.000 0.000 0.315 134 F C -0.136 175.635 175.800 -0.049 0.000 1.126 134 F CA -1.678 56.255 58.000 -0.112 0.000 0.950 134 F CB 0.379 39.276 39.000 -0.171 0.000 1.360 134 F HN 0.296 nan 8.300 nan 0.000 0.469 135 F N 1.039 121.041 119.950 0.086 0.000 3.082 135 F HA -0.033 4.494 4.527 -0.000 0.000 0.272 135 F C 1.484 177.308 175.800 0.039 0.000 0.936 135 F CA 1.310 59.287 58.000 -0.038 0.000 0.920 135 F CB -1.483 37.306 39.000 -0.352 0.000 0.901 135 F HN 1.355 nan 8.300 nan 0.000 0.695 136 G N -0.249 108.632 108.800 0.136 0.000 2.148 136 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.254 136 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.254 136 G C 0.227 175.237 174.900 0.183 0.000 0.981 136 G CA -0.024 45.167 45.100 0.151 0.000 0.670 136 G HN 0.483 nan 8.290 nan 0.000 0.528 137 L N 1.256 122.555 121.223 0.125 0.000 2.597 137 L HA 0.228 4.568 4.340 -0.000 0.000 0.271 137 L C 0.213 177.179 176.870 0.160 0.000 1.157 137 L CA -0.019 54.895 54.840 0.124 0.000 0.928 137 L CB 0.443 42.467 42.059 -0.059 0.000 1.216 137 L HN 0.138 nan 8.230 nan 0.000 0.481 138 D N 6.172 126.748 120.400 0.292 0.000 2.349 138 D HA 0.246 4.886 4.640 -0.000 0.000 0.232 138 D C -1.753 174.638 176.300 0.151 0.000 1.071 138 D CA -2.164 51.982 54.000 0.243 0.000 0.832 138 D CB 2.083 43.058 40.800 0.291 0.000 1.086 138 D HN 0.146 nan 8.370 nan 0.000 0.504 139 P HA -0.080 nan 4.420 nan 0.000 0.223 139 P C 0.221 177.222 177.300 -0.499 0.000 1.144 139 P CA 1.012 63.945 63.100 -0.278 0.000 0.783 139 P CB -0.011 31.410 31.700 -0.465 0.000 0.771 140 Y N -1.276 118.988 120.300 -0.061 0.000 2.493 140 Y HA 0.232 4.782 4.550 -0.000 0.000 0.275 140 Y C 1.046 176.842 175.900 -0.173 0.000 1.183 140 Y CA -0.095 57.873 58.100 -0.220 0.000 1.258 140 Y CB 0.065 38.165 38.460 -0.599 0.000 1.108 140 Y HN -0.167 nan 8.280 nan 0.000 0.521 141 K N 0.201 120.569 120.400 -0.054 0.000 2.346 141 K HA 0.604 4.923 4.320 -0.000 0.000 0.238 141 K C -0.436 175.997 176.600 -0.278 0.000 1.039 141 K CA -1.178 55.016 56.287 -0.154 0.000 0.861 141 K CB 1.862 34.261 32.500 -0.169 0.000 1.278 141 K HN -0.159 nan 8.250 nan 0.000 0.460 142 R N 0.984 121.272 120.500 -0.352 0.000 2.740 142 R HA 0.436 4.776 4.340 -0.000 0.000 0.282 142 R C -1.125 175.007 176.300 -0.279 0.000 0.969 142 R CA -0.698 55.303 56.100 -0.165 0.000 0.918 142 R CB 1.125 31.494 30.300 0.116 0.000 1.175 142 R HN 0.581 nan 8.270 nan 0.000 0.464 143 Y N 0.098 120.553 120.300 0.258 0.000 2.536 143 Y HA 0.307 4.857 4.550 -0.000 0.000 0.347 143 Y C -0.365 175.484 175.900 -0.085 0.000 1.000 143 Y CA -1.115 56.935 58.100 -0.084 0.000 1.051 143 Y CB 1.662 39.489 38.460 -1.055 0.000 1.259 143 Y HN 0.444 nan 8.280 nan 0.000 0.468 144 Y N 2.813 122.815 120.300 -0.497 0.000 2.365 144 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 144 Y C -1.558 174.174 175.900 -0.281 0.000 1.016 144 Y CA -1.044 56.600 58.100 -0.760 0.000 1.196 144 Y CB 0.067 37.852 38.460 -1.126 0.000 1.167 144 Y HN 0.410 nan 8.280 nan 0.000 0.509 145 F N 4.998 124.554 119.950 -0.657 0.000 2.480 145 F HA 0.586 5.113 4.527 -0.000 0.000 0.329 145 F C -0.539 174.898 175.800 -0.605 0.000 1.091 145 F CA -1.096 56.685 58.000 -0.364 0.000 0.972 145 F CB 1.900 40.873 39.000 -0.044 0.000 1.150 145 F HN 0.199 nan 8.300 nan 0.000 0.467 146 V N 4.528 124.404 119.914 -0.063 0.000 2.722 146 V HA 0.460 4.580 4.120 -0.000 0.000 0.260 146 V C -1.606 174.601 176.094 0.189 0.000 0.941 146 V CA -0.025 62.241 62.300 -0.057 0.000 0.888 146 V CB 0.214 31.962 31.823 -0.125 0.000 1.059 146 V HN 1.012 nan 8.190 nan 0.000 0.486 147 H N 1.491 120.537 119.070 -0.040 0.000 3.068 147 H HA 0.611 5.167 4.556 -0.000 0.000 0.342 147 H C -0.294 175.037 175.328 0.005 0.000 1.284 147 H CA -0.249 55.807 56.048 0.014 0.000 1.181 147 H CB 1.732 31.513 29.762 0.032 0.000 1.898 147 H HN -0.021 nan 8.280 nan 0.000 0.540 148 S N 0.638 116.286 115.700 -0.087 0.000 2.497 148 S HA 0.207 4.677 4.470 -0.000 0.000 0.221 148 S C -0.366 173.788 174.600 -0.743 0.000 1.037 148 S CA 0.018 57.986 58.200 -0.387 0.000 0.920 148 S CB 0.195 63.089 63.200 -0.509 0.000 0.800 148 S HN 0.356 nan 8.310 nan 0.000 0.505 149 F N 1.219 121.051 119.950 -0.197 0.000 2.492 149 F HA 0.809 5.336 4.527 -0.000 0.000 0.327 149 F C 0.232 175.843 175.800 -0.314 0.000 1.079 149 F CA -0.944 56.874 58.000 -0.303 0.000 0.967 149 F CB 1.443 40.323 39.000 -0.200 0.000 1.169 149 F HN 0.006 nan 8.300 nan 0.000 0.472 150 A N 0.726 123.335 122.820 -0.350 0.000 2.599 150 A HA 0.805 5.125 4.320 -0.000 0.000 0.290 150 A C -1.575 175.868 177.584 -0.235 0.000 1.101 150 A CA -0.708 51.149 52.037 -0.299 0.000 0.674 150 A CB 0.749 19.386 19.000 -0.605 0.000 1.277 150 A HN 1.047 nan 8.150 nan 0.000 0.419 151 A N 1.313 124.056 122.820 -0.129 0.000 2.807 151 A HA 0.558 4.878 4.320 -0.000 0.000 0.307 151 A C -0.077 177.641 177.584 0.224 0.000 1.532 151 A CA -0.090 51.956 52.037 0.016 0.000 1.215 151 A CB -1.112 17.793 19.000 -0.159 0.000 1.127 151 A HN 0.599 nan 8.150 nan 0.000 0.543 152 I N 3.089 123.732 120.570 0.123 0.000 2.471 152 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 152 I C 0.010 176.163 176.117 0.061 0.000 1.079 152 I CA 0.190 61.554 61.300 0.108 0.000 1.398 152 I CB 0.729 38.729 38.000 -0.000 0.000 1.403 152 I HN 0.479 nan 8.210 nan 0.000 0.530 153 L N 6.834 128.115 121.223 0.096 0.000 2.375 153 L HA 0.487 4.826 4.340 -0.000 0.000 0.268 153 L C -0.226 176.639 176.870 -0.009 0.000 1.058 153 L CA -0.638 54.216 54.840 0.024 0.000 0.803 153 L CB 1.249 43.358 42.059 0.083 0.000 1.212 153 L HN 0.713 nan 8.230 nan 0.000 0.451 154 N N -1.742 116.932 118.700 -0.043 0.000 2.972 154 N HA 0.272 5.011 4.740 -0.000 0.000 0.262 154 N C -0.130 175.365 175.510 -0.024 0.000 1.478 154 N CA -0.813 52.217 53.050 -0.035 0.000 0.841 154 N CB 0.929 39.382 38.487 -0.057 0.000 1.512 154 N HN 0.283 nan 8.380 nan 0.000 0.548 155 S N -0.369 115.322 115.700 -0.015 0.000 2.359 155 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 155 S C 1.288 175.885 174.600 -0.004 0.000 1.035 155 S CA 1.637 59.835 58.200 -0.002 0.000 1.018 155 S CB -0.510 62.689 63.200 -0.001 0.000 0.876 155 S HN 0.717 nan 8.310 nan 0.000 0.448 156 E N 0.964 121.152 120.200 -0.020 0.000 2.038 156 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 156 E C 2.036 178.621 176.600 -0.024 0.000 1.000 156 E CA 1.263 57.651 56.400 -0.021 0.000 0.803 156 E CB -0.041 29.637 29.700 -0.036 0.000 0.750 156 E HN 0.394 nan 8.360 nan 0.000 0.448 157 K N 0.290 120.646 120.400 -0.074 0.000 2.026 157 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 157 K C 2.245 178.861 176.600 0.028 0.000 1.048 157 K CA 1.499 57.732 56.287 -0.091 0.000 0.929 157 K CB -0.074 32.245 32.500 -0.301 0.000 0.713 157 K HN 0.053 nan 8.250 nan 0.000 0.439 158 K N 0.921 121.344 120.400 0.038 0.000 2.147 158 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 158 K C 2.084 178.740 176.600 0.093 0.000 1.049 158 K CA 1.320 57.658 56.287 0.084 0.000 0.936 158 K CB -0.036 32.507 32.500 0.071 0.000 0.722 158 K HN 0.016 nan 8.250 nan 0.000 0.446 159 K N 0.676 121.117 120.400 0.068 0.000 2.062 159 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 159 K C 1.822 178.475 176.600 0.088 0.000 1.051 159 K CA 1.108 57.438 56.287 0.071 0.000 0.941 159 K CB 0.075 32.604 32.500 0.049 0.000 0.719 159 K HN 0.062 nan 8.250 nan 0.000 0.440 160 N N 0.769 119.520 118.700 0.085 0.000 2.084 160 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 160 N C 1.739 177.342 175.510 0.155 0.000 1.030 160 N CA 1.135 54.248 53.050 0.105 0.000 0.849 160 N CB -0.292 38.251 38.487 0.093 0.000 1.012 160 N HN 0.109 nan 8.380 nan 0.000 0.423 161 L N 0.813 122.138 121.223 0.169 0.000 2.079 161 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 161 L C 2.450 179.497 176.870 0.296 0.000 1.081 161 L CA 1.188 56.168 54.840 0.234 0.000 0.752 161 L CB -0.365 41.791 42.059 0.161 0.000 0.896 161 L HN 0.149 nan 8.230 nan 0.000 0.433 162 E N 0.662 120.983 120.200 0.202 0.000 2.031 162 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 162 E C 1.918 178.602 176.600 0.140 0.000 0.994 162 E CA 1.570 58.070 56.400 0.167 0.000 0.800 162 E CB -0.038 29.736 29.700 0.123 0.000 0.752 162 E HN 0.341 nan 8.360 nan 0.000 0.447 163 N N 0.558 119.331 118.700 0.122 0.000 2.381 163 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 163 N C 0.831 176.404 175.510 0.105 0.000 1.025 163 N CA 1.268 54.375 53.050 0.095 0.000 0.888 163 N CB -0.278 38.257 38.487 0.080 0.000 0.965 163 N HN 0.260 nan 8.380 nan 0.000 0.438 164 D N -0.732 119.769 120.400 0.168 0.000 2.355 164 D HA 0.106 4.745 4.640 -0.000 0.000 0.218 164 D C 1.013 177.368 176.300 0.091 0.000 1.004 164 D CA 0.641 54.758 54.000 0.195 0.000 0.880 164 D CB -0.062 40.965 40.800 0.379 0.000 0.911 164 D HN 0.328 nan 8.370 nan 0.000 0.528 165 G N -0.626 108.216 108.800 0.071 0.000 2.157 165 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.239 165 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.239 165 G C -0.191 174.641 174.900 -0.114 0.000 0.982 165 G CA -0.192 44.876 45.100 -0.053 0.000 0.650 165 G HN 0.179 nan 8.290 nan 0.000 0.527 166 W N 1.075 122.387 121.300 0.019 0.000 2.316 166 W HA 0.660 5.320 4.660 -0.000 0.000 0.321 166 W C 0.753 177.298 176.519 0.043 0.000 1.203 166 W CA -0.527 56.825 57.345 0.012 0.000 1.214 166 W CB 0.823 30.298 29.460 0.025 0.000 1.169 166 W HN -0.064 nan 8.180 nan 0.000 0.561 167 K N 3.631 124.190 120.400 0.265 0.000 2.185 167 K HA 0.454 4.774 4.320 -0.000 0.000 0.269 167 K C -0.726 176.138 176.600 0.440 0.000 0.987 167 K CA -0.746 55.709 56.287 0.280 0.000 0.865 167 K CB 1.239 33.831 32.500 0.154 0.000 1.090 167 K HN 0.172 nan 8.250 nan 0.000 0.450 168 I N 2.461 123.309 120.570 0.464 0.000 2.418 168 I HA 0.269 4.439 4.170 -0.000 0.000 0.287 168 I C -0.125 176.217 176.117 0.376 0.000 1.008 168 I CA -0.801 60.757 61.300 0.430 0.000 1.104 168 I CB 1.475 39.642 38.000 0.278 0.000 1.264 168 I HN 0.624 nan 8.210 nan 0.000 0.438 169 A N 7.769 130.813 122.820 0.373 0.000 2.260 169 A HA 0.526 4.846 4.320 -0.000 0.000 0.312 169 A C 0.133 177.785 177.584 0.113 0.000 1.321 169 A CA -0.562 51.555 52.037 0.133 0.000 0.928 169 A CB 0.281 19.287 19.000 0.010 0.000 1.158 169 A HN 0.681 nan 8.150 nan 0.000 0.542 170 K N 1.171 121.599 120.400 0.046 0.000 2.095 170 K HA 0.782 5.101 4.320 -0.000 0.000 0.252 170 K C -0.276 176.246 176.600 -0.130 0.000 0.977 170 K CA -0.402 55.860 56.287 -0.042 0.000 0.900 170 K CB 2.046 34.539 32.500 -0.012 0.000 1.060 170 K HN 0.746 nan 8.250 nan 0.000 0.449 171 A N 1.425 124.021 122.820 -0.373 0.000 2.587 171 A HA 0.560 4.880 4.320 -0.000 0.000 0.293 171 A C -1.574 175.794 177.584 -0.360 0.000 1.087 171 A CA -0.753 51.033 52.037 -0.419 0.000 0.692 171 A CB 1.711 20.290 19.000 -0.701 0.000 1.291 171 A HN 0.667 nan 8.150 nan 0.000 0.407 172 K N 0.542 120.971 120.400 0.048 0.000 2.397 172 K HA 0.559 4.879 4.320 -0.000 0.000 0.253 172 K C -2.291 174.586 176.600 0.461 0.000 0.932 172 K CA -0.465 55.959 56.287 0.229 0.000 0.795 172 K CB 1.550 34.008 32.500 -0.070 0.000 1.159 172 K HN 0.694 nan 8.250 nan 0.000 0.424 173 Y N 4.356 124.819 120.300 0.272 0.000 2.338 173 Y HA 0.433 4.983 4.550 -0.000 0.000 0.328 173 Y C 0.362 176.237 175.900 -0.043 0.000 0.965 173 Y CA 0.304 58.410 58.100 0.010 0.000 1.208 173 Y CB 1.030 39.220 38.460 -0.451 0.000 1.132 173 Y HN 0.962 nan 8.280 nan 0.000 0.469 174 G N 3.480 112.188 108.800 -0.152 0.000 2.543 174 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.286 174 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.286 174 G C 0.832 175.690 174.900 -0.070 0.000 1.153 174 G CA 0.753 45.758 45.100 -0.158 0.000 0.968 174 G HN 1.450 nan 8.290 nan 0.000 0.544 175 S N 0.410 116.058 115.700 -0.086 0.000 2.539 175 S HA 0.429 4.899 4.470 -0.000 0.000 0.221 175 S C 0.418 175.008 174.600 -0.017 0.000 0.987 175 S CA 0.889 59.053 58.200 -0.060 0.000 0.929 175 S CB 0.475 63.644 63.200 -0.051 0.000 0.832 175 S HN 0.682 nan 8.310 nan 0.000 0.492 176 E N 1.661 121.884 120.200 0.038 0.000 2.174 176 E HA 0.329 4.679 4.350 -0.000 0.000 0.282 176 E C -0.812 175.965 176.600 0.295 0.000 0.992 176 E CA -0.265 56.232 56.400 0.161 0.000 0.803 176 E CB 1.137 30.987 29.700 0.250 0.000 1.090 176 E HN 0.426 nan 8.360 nan 0.000 0.396 177 E N 2.811 123.147 120.200 0.226 0.000 2.216 177 E HA 0.385 4.735 4.350 -0.000 0.000 0.279 177 E C -0.958 175.849 176.600 0.344 0.000 0.997 177 E CA -0.417 56.110 56.400 0.213 0.000 0.817 177 E CB 0.796 30.540 29.700 0.074 0.000 1.096 177 E HN 0.325 nan 8.360 nan 0.000 0.393 178 F N 0.350 120.408 119.950 0.180 0.000 2.685 178 F HA 0.552 5.079 4.527 -0.000 0.000 0.315 178 F C -1.018 174.902 175.800 0.200 0.000 1.126 178 F CA -1.323 56.786 58.000 0.182 0.000 0.950 178 F CB 0.609 39.740 39.000 0.219 0.000 1.360 178 F HN 0.171 nan 8.300 nan 0.000 0.469 179 I N 2.349 123.091 120.570 0.286 0.000 2.379 179 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 179 I C 0.775 177.026 176.117 0.223 0.000 1.063 179 I CA -0.108 61.313 61.300 0.201 0.000 1.351 179 I CB 1.379 39.543 38.000 0.274 0.000 1.410 179 I HN 0.933 nan 8.210 nan 0.000 0.505 180 A N 5.626 128.518 122.820 0.119 0.000 1.997 180 A HA 0.611 4.931 4.320 -0.000 0.000 0.212 180 A C 0.940 178.641 177.584 0.195 0.000 1.178 180 A CA 0.822 53.048 52.037 0.314 0.000 0.698 180 A CB 0.203 19.412 19.000 0.349 0.000 0.842 180 A HN 0.773 nan 8.150 nan 0.000 0.458 181 A N -1.206 121.740 122.820 0.210 0.000 2.605 181 A HA 0.567 4.887 4.320 -0.000 0.000 0.294 181 A C -0.826 177.031 177.584 0.456 0.000 1.062 181 A CA 0.093 52.270 52.037 0.234 0.000 0.682 181 A CB 0.627 19.840 19.000 0.356 0.000 1.278 181 A HN 1.353 nan 8.150 nan 0.000 0.410 182 V N -0.717 119.414 119.914 0.362 0.000 3.001 182 V HA 0.902 5.022 4.120 -0.000 0.000 0.314 182 V C -0.512 175.685 176.094 0.171 0.000 1.099 182 V CA -0.730 61.767 62.300 0.329 0.000 0.989 182 V CB 2.021 33.956 31.823 0.186 0.000 1.040 182 V HN 1.069 nan 8.190 nan 0.000 0.434 183 N N 1.699 120.390 118.700 -0.016 0.000 2.537 183 N HA 0.406 5.146 4.740 -0.000 0.000 0.281 183 N C -1.856 173.546 175.510 -0.180 0.000 1.097 183 N CA -0.540 52.364 53.050 -0.244 0.000 0.964 183 N CB 2.161 39.987 38.487 -1.101 0.000 1.588 183 N HN 0.964 nan 8.380 nan 0.000 0.511 184 K N 3.736 123.966 120.400 -0.284 0.000 2.553 184 K HA 0.255 4.575 4.320 -0.000 0.000 0.250 184 K C -0.008 176.366 176.600 -0.378 0.000 0.953 184 K CA -0.327 55.633 56.287 -0.546 0.000 0.800 184 K CB 0.818 32.470 32.500 -1.414 0.000 1.243 184 K HN 0.768 nan 8.250 nan 0.000 0.435 185 N N 1.803 120.344 118.700 -0.265 0.000 1.414 185 N HA -0.345 4.395 4.740 -0.000 0.000 0.142 185 N C 0.425 175.888 175.510 -0.078 0.000 0.587 185 N CA 2.251 55.201 53.050 -0.166 0.000 1.068 185 N CB -1.144 37.232 38.487 -0.186 0.000 1.317 185 N HN 0.930 nan 8.380 nan 0.000 0.463 186 N N 2.047 120.710 118.700 -0.062 0.000 2.336 186 N HA 0.111 4.851 4.740 -0.000 0.000 0.189 186 N C 0.281 175.850 175.510 0.098 0.000 1.113 186 N CA 0.256 53.327 53.050 0.035 0.000 0.858 186 N CB 0.194 38.680 38.487 -0.000 0.000 0.970 186 N HN 0.566 nan 8.380 nan 0.000 0.471 187 I N 1.196 121.772 120.570 0.009 0.000 2.342 187 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 187 I C -0.966 175.247 176.117 0.161 0.000 1.010 187 I CA -0.741 60.580 61.300 0.036 0.000 1.308 187 I CB 0.730 38.679 38.000 -0.085 0.000 1.400 187 I HN -0.125 nan 8.210 nan 0.000 0.488 188 F N 6.512 126.423 119.950 -0.065 0.000 2.578 188 F HA 0.827 5.353 4.527 -0.000 0.000 0.311 188 F C -0.959 174.706 175.800 -0.225 0.000 1.094 188 F CA -0.925 56.995 58.000 -0.133 0.000 0.923 188 F CB 1.736 40.564 39.000 -0.287 0.000 1.230 188 F HN 0.470 nan 8.300 nan 0.000 0.450 189 A N 2.548 124.921 122.820 -0.745 0.000 2.589 189 A HA 0.697 5.017 4.320 -0.000 0.000 0.296 189 A C -1.205 175.896 177.584 -0.805 0.000 1.062 189 A CA -0.252 51.327 52.037 -0.763 0.000 0.686 189 A CB 1.307 20.107 19.000 -0.334 0.000 1.282 189 A HN 1.087 nan 8.150 nan 0.000 0.404 190 T N -0.956 113.056 114.554 -0.903 0.000 2.876 190 T HA 0.504 4.854 4.350 -0.000 0.000 0.289 190 T C 0.427 174.621 174.700 -0.843 0.000 1.014 190 T CA -0.415 61.075 62.100 -1.017 0.000 0.986 190 T CB 1.858 69.682 68.868 -1.740 0.000 1.021 190 T HN 0.617 nan 8.240 nan 0.000 0.458 191 Q N 1.392 120.810 119.800 -0.637 0.000 2.245 191 Q HA 0.181 4.521 4.340 -0.000 0.000 0.201 191 Q C 0.301 175.911 176.000 -0.649 0.000 0.955 191 Q CA 0.682 56.217 55.803 -0.447 0.000 0.870 191 Q CB -0.391 28.318 28.738 -0.049 0.000 0.945 191 Q HN 0.792 nan 8.270 nan 0.000 0.461 192 F N -0.767 118.722 119.950 -0.767 0.000 2.370 192 F HA 0.452 4.979 4.527 -0.000 0.000 0.319 192 F C -0.012 175.417 175.800 -0.617 0.000 1.129 192 F CA -1.048 56.368 58.000 -0.973 0.000 1.109 192 F CB 0.326 38.444 39.000 -1.469 0.000 1.262 192 F HN -0.094 nan 8.300 nan 0.000 0.534 193 H N 2.927 121.971 119.070 -0.044 0.000 2.741 193 H HA 0.179 4.735 4.556 -0.000 0.000 0.282 193 H C -1.755 173.685 175.328 0.188 0.000 1.122 193 H CA -1.439 54.611 56.048 0.003 0.000 1.293 193 H CB 1.204 30.986 29.762 0.034 0.000 1.415 193 H HN 0.450 nan 8.280 nan 0.000 0.472 194 P HA -0.179 nan 4.420 nan 0.000 0.217 194 P C 1.267 178.699 177.300 0.220 0.000 1.150 194 P CA 1.085 64.380 63.100 0.326 0.000 0.832 194 P CB 0.425 32.260 31.700 0.225 0.000 0.787 195 E N 0.316 120.610 120.200 0.157 0.000 2.472 195 E HA -0.134 4.216 4.350 -0.000 0.000 0.200 195 E C 1.136 177.873 176.600 0.229 0.000 1.046 195 E CA 0.933 57.416 56.400 0.140 0.000 0.871 195 E CB -0.389 29.387 29.700 0.127 0.000 0.806 195 E HN 0.177 nan 8.360 nan 0.000 0.533 196 K N 0.358 120.885 120.400 0.211 0.000 2.402 196 K HA 0.253 4.573 4.320 -0.000 0.000 0.204 196 K C 0.429 177.143 176.600 0.189 0.000 1.056 196 K CA 0.021 56.387 56.287 0.132 0.000 1.069 196 K CB 0.996 33.487 32.500 -0.014 0.000 0.888 196 K HN -0.056 nan 8.250 nan 0.000 0.546 197 S N 0.763 116.654 115.700 0.318 0.000 2.573 197 S HA 0.259 4.729 4.470 -0.000 0.000 0.244 197 S C 0.778 175.713 174.600 0.558 0.000 0.984 197 S CA 0.162 58.660 58.200 0.497 0.000 1.001 197 S CB 0.381 63.839 63.200 0.431 0.000 0.788 197 S HN 0.562 nan 8.310 nan 0.000 0.456 198 G N 2.688 111.798 108.800 0.517 0.000 2.578 198 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.275 198 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.275 198 G C 0.719 175.808 174.900 0.316 0.000 1.271 198 G CA 0.618 46.006 45.100 0.480 0.000 0.941 198 G HN 0.374 nan 8.290 nan 0.000 0.564 199 K N 0.181 120.732 120.400 0.253 0.000 2.074 199 K HA 0.104 4.424 4.320 -0.000 0.000 0.209 199 K C 3.015 179.717 176.600 0.169 0.000 1.048 199 K CA 2.990 59.386 56.287 0.181 0.000 0.926 199 K CB -0.933 31.647 32.500 0.133 0.000 0.713 199 K HN 1.240 nan 8.250 nan 0.000 0.444 200 A N -0.239 122.676 122.820 0.159 0.000 1.933 200 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 200 A C 2.381 180.165 177.584 0.334 0.000 1.175 200 A CA 1.899 54.039 52.037 0.172 0.000 0.628 200 A CB -1.181 17.802 19.000 -0.028 0.000 0.814 200 A HN 0.489 nan 8.150 nan 0.000 0.444 201 G N -0.352 108.647 108.800 0.332 0.000 2.394 201 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 201 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 201 G C 1.525 176.564 174.900 0.231 0.000 1.165 201 G CA 0.844 46.162 45.100 0.364 0.000 0.784 201 G HN 0.418 nan 8.290 nan 0.000 0.535 202 L N 0.682 121.984 121.223 0.131 0.000 2.083 202 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 202 L C 2.652 179.591 176.870 0.114 0.000 1.083 202 L CA 0.763 55.630 54.840 0.046 0.000 0.752 202 L CB -0.368 41.689 42.059 -0.004 0.000 0.899 202 L HN 0.123 nan 8.230 nan 0.000 0.433 203 N N -0.376 118.423 118.700 0.166 0.000 2.166 203 N HA -0.133 4.606 4.740 -0.000 0.000 0.186 203 N C 1.878 177.517 175.510 0.214 0.000 1.019 203 N CA 1.131 54.287 53.050 0.178 0.000 0.856 203 N CB -0.424 38.177 38.487 0.191 0.000 0.993 203 N HN 0.108 nan 8.380 nan 0.000 0.426 204 V N 1.573 121.650 119.914 0.272 0.000 2.343 204 V HA -0.152 3.967 4.120 -0.000 0.000 0.247 204 V C 2.232 178.490 176.094 0.274 0.000 1.051 204 V CA 1.139 63.629 62.300 0.318 0.000 1.036 204 V CB -0.372 31.686 31.823 0.392 0.000 0.654 204 V HN 0.220 nan 8.190 nan 0.000 0.451 205 I N -0.020 120.671 120.570 0.200 0.000 2.179 205 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 205 I C 2.613 178.802 176.117 0.119 0.000 1.088 205 I CA 1.988 63.376 61.300 0.146 0.000 1.357 205 I CB -0.365 37.668 38.000 0.055 0.000 1.051 205 I HN 0.397 nan 8.210 nan 0.000 0.409 206 E N 1.200 121.457 120.200 0.094 0.000 2.085 206 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 206 E C 1.925 178.587 176.600 0.104 0.000 0.994 206 E CA 1.387 57.831 56.400 0.074 0.000 0.801 206 E CB 0.069 29.828 29.700 0.099 0.000 0.743 206 E HN 0.420 nan 8.360 nan 0.000 0.453 207 N N 0.023 118.823 118.700 0.167 0.000 2.166 207 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 207 N C 1.618 177.291 175.510 0.272 0.000 1.019 207 N CA 1.055 54.243 53.050 0.231 0.000 0.856 207 N CB -0.450 38.215 38.487 0.298 0.000 0.993 207 N HN 0.249 nan 8.380 nan 0.000 0.426 208 F N 1.825 121.758 119.950 -0.028 0.000 2.113 208 F HA 0.030 4.556 4.527 -0.000 0.000 0.297 208 F C 2.042 177.791 175.800 -0.086 0.000 1.103 208 F CA 0.918 58.726 58.000 -0.319 0.000 1.248 208 F CB -0.467 38.318 39.000 -0.357 0.000 0.999 208 F HN -0.103 nan 8.300 nan 0.000 0.475 209 L N 0.170 121.190 121.223 -0.338 0.000 2.131 209 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 209 L C 1.883 178.642 176.870 -0.185 0.000 1.092 209 L CA 1.484 56.074 54.840 -0.417 0.000 0.759 209 L CB -0.609 41.137 42.059 -0.521 0.000 0.903 209 L HN 0.121 nan 8.230 nan 0.000 0.435 210 K N -0.594 119.774 120.400 -0.052 0.000 2.372 210 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 210 K C -0.197 176.415 176.600 0.019 0.000 1.022 210 K CA -0.182 56.124 56.287 0.032 0.000 1.125 210 K CB 0.481 33.032 32.500 0.084 0.000 0.855 210 K HN 0.103 nan 8.250 nan 0.000 0.524 211 Q N 1.463 121.265 119.800 0.003 0.000 2.439 211 Q HA -0.215 4.124 4.340 -0.000 0.000 0.361 211 Q C -0.925 175.125 176.000 0.083 0.000 1.408 211 Q CA 1.255 57.126 55.803 0.114 0.000 1.052 211 Q CB -1.654 27.094 28.738 0.017 0.000 1.233 211 Q HN 0.621 nan 8.270 nan 0.000 0.347 212 Q N -2.108 117.761 119.800 0.114 0.000 2.379 212 Q HA 0.724 5.063 4.340 -0.000 0.000 0.278 212 Q C -0.815 175.142 176.000 -0.071 0.000 1.068 212 Q CA -0.899 54.903 55.803 -0.002 0.000 0.816 212 Q CB 1.717 30.476 28.738 0.034 0.000 1.387 212 Q HN 0.034 nan 8.270 nan 0.000 0.413 213 S N 2.647 118.260 115.700 -0.145 0.000 2.080 213 S HA 0.332 4.802 4.470 -0.000 0.000 0.162 213 S C -2.209 172.364 174.600 -0.045 0.000 1.618 213 S CA -0.852 57.259 58.200 -0.148 0.000 1.200 213 S CB 0.208 63.260 63.200 -0.246 0.000 1.135 213 S HN 0.522 nan 8.310 nan 0.000 0.455 214 P HA 0.226 nan 4.420 nan 0.000 0.268 214 P C -2.598 174.716 177.300 0.023 0.000 1.208 214 P CA -0.937 62.174 63.100 0.018 0.000 0.777 214 P CB -0.359 31.364 31.700 0.038 0.000 0.875 215 P HA 0.212 nan 4.420 nan 0.000 0.274 215 P C 0.142 177.463 177.300 0.036 0.000 1.231 215 P CA -0.356 62.759 63.100 0.024 0.000 0.790 215 P CB 0.575 32.282 31.700 0.011 0.000 0.951 216 I N -0.664 119.945 120.570 0.066 0.000 2.634 216 I HA 0.296 4.465 4.170 -0.000 0.000 0.284 216 I C -2.159 173.944 176.117 -0.023 0.000 1.124 216 I CA -2.352 59.007 61.300 0.099 0.000 1.417 216 I CB -0.862 37.280 38.000 0.236 0.000 1.396 216 I HN 0.135 nan 8.210 nan 0.000 0.571 217 P HA -0.108 nan 4.420 nan 0.000 0.266 217 P C -0.430 176.563 177.300 -0.512 0.000 1.180 217 P CA 0.096 62.939 63.100 -0.428 0.000 0.765 217 P CB 0.269 31.554 31.700 -0.692 0.000 0.806 218 N N 2.377 120.874 118.700 -0.338 0.000 2.739 218 N HA 0.021 4.761 4.740 -0.000 0.000 0.266 218 N C -0.605 174.773 175.510 -0.220 0.000 1.168 218 N CA -0.139 52.789 53.050 -0.203 0.000 1.055 218 N CB -0.201 38.219 38.487 -0.111 0.000 1.393 218 N HN 0.340 nan 8.380 nan 0.000 0.514 219 Y N 0.526 120.760 120.300 -0.110 0.000 2.379 219 Y HA 0.005 4.555 4.550 -0.000 0.000 0.337 219 Y C 1.498 177.310 175.900 -0.148 0.000 1.238 219 Y CA -0.486 57.515 58.100 -0.166 0.000 1.405 219 Y CB 0.692 38.953 38.460 -0.333 0.000 1.310 219 Y HN 0.313 nan 8.280 nan 0.000 0.569 220 S N 0.666 116.395 115.700 0.048 0.000 2.652 220 S HA 0.482 4.952 4.470 -0.000 0.000 0.270 220 S C 1.048 175.628 174.600 -0.033 0.000 1.243 220 S CA -0.485 57.714 58.200 -0.002 0.000 0.999 220 S CB 1.437 64.634 63.200 -0.005 0.000 0.973 220 S HN 0.842 nan 8.310 nan 0.000 0.544 221 A N 0.453 123.255 122.820 -0.030 0.000 2.125 221 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 221 A C 1.986 179.545 177.584 -0.043 0.000 1.156 221 A CA 1.059 53.075 52.037 -0.035 0.000 0.671 221 A CB -0.641 18.349 19.000 -0.017 0.000 0.794 221 A HN 0.835 nan 8.150 nan 0.000 0.459 222 E N 0.065 120.241 120.200 -0.039 0.000 2.122 222 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 222 E C 1.677 178.242 176.600 -0.058 0.000 0.977 222 E CA 1.014 57.391 56.400 -0.039 0.000 0.820 222 E CB -0.381 29.302 29.700 -0.028 0.000 0.770 222 E HN 0.785 nan 8.360 nan 0.000 0.462 223 E N 1.374 121.534 120.200 -0.067 0.000 2.072 223 E HA -0.091 4.258 4.350 -0.000 0.000 0.190 223 E C 2.065 178.528 176.600 -0.229 0.000 0.982 223 E CA 0.796 57.136 56.400 -0.101 0.000 0.803 223 E CB 0.065 29.758 29.700 -0.012 0.000 0.755 223 E HN 0.133 nan 8.360 nan 0.000 0.453 224 K N 0.706 120.921 120.400 -0.308 0.000 2.026 224 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 224 K C 2.183 178.734 176.600 -0.081 0.000 1.048 224 K CA 1.375 57.411 56.287 -0.418 0.000 0.929 224 K CB -0.083 32.183 32.500 -0.391 0.000 0.713 224 K HN -0.058 nan 8.250 nan 0.000 0.439 225 E N 1.256 121.422 120.200 -0.057 0.000 2.204 225 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 225 E C 1.681 178.265 176.600 -0.027 0.000 0.990 225 E CA 0.805 57.195 56.400 -0.017 0.000 0.821 225 E CB -0.031 29.655 29.700 -0.022 0.000 0.750 225 E HN 0.167 nan 8.360 nan 0.000 0.477 226 L N -0.700 120.491 121.223 -0.052 0.000 2.168 226 L HA 0.160 4.500 4.340 -0.000 0.000 0.203 226 L C 1.878 178.714 176.870 -0.057 0.000 1.078 226 L CA 1.097 55.903 54.840 -0.057 0.000 0.780 226 L CB -0.037 41.984 42.059 -0.063 0.000 0.939 226 L HN 0.189 nan 8.230 nan 0.000 0.451 227 L N -0.229 120.960 121.223 -0.057 0.000 2.446 227 L HA 0.063 4.402 4.340 -0.000 0.000 0.219 227 L C 1.288 178.174 176.870 0.026 0.000 1.116 227 L CA -0.149 54.671 54.840 -0.034 0.000 0.844 227 L CB -0.464 41.542 42.059 -0.089 0.000 0.970 227 L HN 0.340 nan 8.230 nan 0.000 0.457 228 M N -0.936 118.712 119.600 0.080 0.000 2.250 228 M HA 0.115 4.595 4.480 -0.000 0.000 0.325 228 M C 0.152 176.392 176.300 -0.101 0.000 1.084 228 M CA 0.321 55.631 55.300 0.017 0.000 1.161 228 M CB 0.211 32.864 32.600 0.088 0.000 1.481 228 M HN -0.096 nan 8.290 nan 0.000 0.449 229 N N 2.074 120.657 118.700 -0.194 0.000 2.430 229 N HA 0.033 4.773 4.740 -0.000 0.000 0.265 229 N C -0.487 174.819 175.510 -0.339 0.000 1.100 229 N CA -0.160 52.662 53.050 -0.380 0.000 0.961 229 N CB 0.754 38.853 38.487 -0.647 0.000 1.075 229 N HN 0.801 nan 8.380 nan 0.000 0.478 230 D N 2.925 123.174 120.400 -0.251 0.000 2.349 230 D HA -0.069 4.571 4.640 -0.000 0.000 0.214 230 D C -0.074 176.236 176.300 0.017 0.000 1.063 230 D CA -0.015 53.943 54.000 -0.069 0.000 0.847 230 D CB -0.428 40.341 40.800 -0.052 0.000 0.933 230 D HN 0.560 nan 8.370 nan 0.000 0.513 231 Y N 0.402 120.682 120.300 -0.032 0.000 4.177 231 Y HA -0.286 4.264 4.550 -0.000 0.000 0.227 231 Y C 0.516 176.372 175.900 -0.073 0.000 1.154 231 Y CA 0.502 58.583 58.100 -0.031 0.000 1.887 231 Y CB -2.526 35.923 38.460 -0.018 0.000 1.594 231 Y HN 0.190 nan 8.280 nan 0.000 0.668 232 S N -0.314 115.351 115.700 -0.059 0.000 2.601 232 S HA 0.401 4.871 4.470 -0.000 0.000 0.271 232 S C 0.730 175.229 174.600 -0.169 0.000 1.305 232 S CA -0.177 57.955 58.200 -0.114 0.000 1.022 232 S CB 1.448 64.584 63.200 -0.107 0.000 0.940 232 S HN 0.556 nan 8.310 nan 0.000 0.525 233 N N 0.724 119.248 118.700 -0.294 0.000 2.727 233 N HA -0.279 4.461 4.740 -0.000 0.000 0.249 233 N C -0.468 174.943 175.510 -0.166 0.000 1.048 233 N CA 1.163 54.011 53.050 -0.337 0.000 0.714 233 N CB -2.322 36.085 38.487 -0.134 0.000 0.959 233 N HN 0.908 nan 8.380 nan 0.000 0.544 234 Y N -4.130 116.188 120.300 0.030 0.000 4.851 234 Y HA -0.308 4.242 4.550 -0.000 0.000 0.235 234 Y C 1.821 177.835 175.900 0.190 0.000 0.998 234 Y CA 1.360 59.484 58.100 0.040 0.000 1.980 234 Y CB -1.674 36.725 38.460 -0.100 0.000 1.561 234 Y HN 0.704 nan 8.280 nan 0.000 0.585 235 G N -0.994 107.916 108.800 0.184 0.000 2.201 235 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.212 235 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.212 235 G C -0.080 174.816 174.900 -0.008 0.000 0.994 235 G CA -0.158 44.952 45.100 0.016 0.000 0.644 235 G HN 0.351 nan 8.290 nan 0.000 0.508 236 L N 2.355 123.633 121.223 0.092 0.000 2.334 236 L HA 0.579 4.918 4.340 -0.000 0.000 0.277 236 L C 1.531 178.417 176.870 0.026 0.000 1.075 236 L CA -0.300 54.590 54.840 0.083 0.000 0.804 236 L CB 1.386 43.526 42.059 0.136 0.000 1.174 236 L HN 0.369 nan 8.230 nan 0.000 0.438 237 T N -0.460 114.126 114.554 0.052 0.000 2.766 237 T HA 0.227 4.577 4.350 -0.000 0.000 0.295 237 T C 0.405 175.054 174.700 -0.086 0.000 1.024 237 T CA -0.884 61.194 62.100 -0.038 0.000 1.018 237 T CB 0.575 69.428 68.868 -0.025 0.000 1.002 237 T HN 0.332 nan 8.240 nan 0.000 0.532 238 R N 1.865 122.210 120.500 -0.259 0.000 2.291 238 R HA 0.207 4.547 4.340 -0.000 0.000 0.333 238 R C 0.389 176.615 176.300 -0.123 0.000 1.082 238 R CA -0.176 55.604 56.100 -0.534 0.000 0.948 238 R CB -0.334 29.314 30.300 -1.088 0.000 1.009 238 R HN 0.663 nan 8.270 nan 0.000 0.460 239 R N 3.709 124.280 120.500 0.117 0.000 2.351 239 R HA 0.117 4.457 4.340 -0.000 0.000 0.318 239 R C -0.198 176.302 176.300 0.335 0.000 1.055 239 R CA -0.085 56.168 56.100 0.255 0.000 0.968 239 R CB 0.378 30.872 30.300 0.324 0.000 0.974 239 R HN 0.353 nan 8.270 nan 0.000 0.439 240 I N 7.476 128.178 120.570 0.220 0.000 2.328 240 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 240 I C 0.175 176.378 176.117 0.143 0.000 1.012 240 I CA -0.663 60.775 61.300 0.229 0.000 1.195 240 I CB 1.036 39.075 38.000 0.064 0.000 1.350 240 I HN 0.587 nan 8.210 nan 0.000 0.464 241 I N 5.127 125.822 120.570 0.209 0.000 2.377 241 I HA 0.538 4.707 4.170 -0.000 0.000 0.293 241 I C 0.431 176.606 176.117 0.097 0.000 0.987 241 I CA -0.636 60.737 61.300 0.123 0.000 1.185 241 I CB 1.903 39.986 38.000 0.138 0.000 1.341 241 I HN 0.609 nan 8.210 nan 0.000 0.455 242 A N 5.745 128.512 122.820 -0.089 0.000 2.276 242 A HA 0.582 4.902 4.320 -0.000 0.000 0.316 242 A C -0.722 176.806 177.584 -0.095 0.000 1.229 242 A CA -0.415 51.477 52.037 -0.242 0.000 0.851 242 A CB 1.144 19.658 19.000 -0.811 0.000 1.165 242 A HN 0.858 nan 8.150 nan 0.000 0.513 243 C N 4.169 123.478 119.300 0.015 0.000 2.507 243 C HA 0.890 5.350 4.460 -0.000 0.000 0.319 243 C C -0.846 174.205 174.990 0.101 0.000 1.208 243 C CA -0.644 58.393 59.018 0.032 0.000 1.619 243 C CB 0.196 27.971 27.740 0.057 0.000 2.230 243 C HN 1.046 nan 8.230 nan 0.000 0.492 244 L N 3.109 124.354 121.223 0.037 0.000 2.445 244 L HA 0.733 5.073 4.340 -0.000 0.000 0.262 244 L C -1.016 175.895 176.870 0.069 0.000 0.974 244 L CA -0.423 54.454 54.840 0.061 0.000 0.822 244 L CB 1.756 43.822 42.059 0.013 0.000 1.339 244 L HN 0.409 nan 8.230 nan 0.000 0.409 245 D N 1.929 122.377 120.400 0.078 0.000 2.264 245 D HA 0.502 5.141 4.640 -0.000 0.000 0.249 245 D C -0.538 175.819 176.300 0.095 0.000 1.070 245 D CA -0.113 53.940 54.000 0.088 0.000 0.912 245 D CB 2.701 43.549 40.800 0.081 0.000 1.193 245 D HN 0.372 nan 8.370 nan 0.000 0.427 246 V N 2.814 122.789 119.914 0.102 0.000 2.409 246 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 246 V C 0.165 176.298 176.094 0.065 0.000 1.017 246 V CA -0.678 61.677 62.300 0.093 0.000 0.841 246 V CB 1.114 33.006 31.823 0.116 0.000 1.003 246 V HN 0.344 nan 8.190 nan 0.000 0.426 247 R N 2.024 122.556 120.500 0.054 0.000 2.892 247 R HA 0.810 5.149 4.340 -0.000 0.000 0.265 247 R C -0.466 175.855 176.300 0.035 0.000 1.025 247 R CA -0.812 55.314 56.100 0.044 0.000 0.982 247 R CB 2.173 32.500 30.300 0.045 0.000 1.185 247 R HN 0.691 nan 8.270 nan 0.000 0.484 248 T N -0.446 114.126 114.554 0.029 0.000 2.770 248 T HA 0.264 4.614 4.350 -0.000 0.000 0.283 248 T C 0.069 174.783 174.700 0.022 0.000 0.988 248 T CA -1.115 60.999 62.100 0.023 0.000 0.957 248 T CB 0.852 69.731 68.868 0.019 0.000 0.930 248 T HN 0.643 nan 8.240 nan 0.000 0.443 249 N N 2.534 121.246 118.700 0.021 0.000 2.383 249 N HA 0.190 4.930 4.740 -0.000 0.000 0.288 249 N C 0.351 175.870 175.510 0.016 0.000 1.320 249 N CA -0.327 52.735 53.050 0.020 0.000 0.941 249 N CB -0.293 38.207 38.487 0.021 0.000 1.078 249 N HN 0.472 nan 8.380 nan 0.000 0.509 250 D N -1.158 119.251 120.400 0.014 0.000 2.084 250 D HA -0.106 4.534 4.640 -0.000 0.000 0.196 250 D C 1.732 178.038 176.300 0.010 0.000 0.985 250 D CA 1.434 55.441 54.000 0.012 0.000 0.826 250 D CB -0.301 40.505 40.800 0.011 0.000 0.978 250 D HN 0.479 nan 8.370 nan 0.000 0.456 251 Q N -0.695 119.110 119.800 0.010 0.000 2.224 251 Q HA 0.145 4.485 4.340 -0.000 0.000 0.203 251 Q C 1.470 177.474 176.000 0.007 0.000 0.970 251 Q CA 1.479 57.287 55.803 0.008 0.000 0.865 251 Q CB 0.105 28.847 28.738 0.007 0.000 0.922 251 Q HN 0.422 nan 8.270 nan 0.000 0.445 252 G N -0.478 108.327 108.800 0.008 0.000 2.192 252 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.193 252 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.193 252 G C -0.579 174.325 174.900 0.007 0.000 0.999 252 G CA -0.124 44.980 45.100 0.007 0.000 0.659 252 G HN 0.359 nan 8.290 nan 0.000 0.503 253 D N 0.292 120.696 120.400 0.008 0.000 2.339 253 D HA 0.533 5.173 4.640 -0.000 0.000 0.245 253 D C 0.432 176.740 176.300 0.012 0.000 1.115 253 D CA -0.116 53.889 54.000 0.008 0.000 0.917 253 D CB 0.923 41.728 40.800 0.008 0.000 1.192 253 D HN 0.076 nan 8.370 nan 0.000 0.428 254 L N 1.689 122.918 121.223 0.010 0.000 2.290 254 L HA 0.422 4.762 4.340 -0.000 0.000 0.284 254 L C -0.096 176.787 176.870 0.022 0.000 1.078 254 L CA -0.359 54.491 54.840 0.016 0.000 0.815 254 L CB 0.889 42.953 42.059 0.009 0.000 1.162 254 L HN 0.256 nan 8.230 nan 0.000 0.435 255 V N 1.271 121.204 119.914 0.031 0.000 3.130 255 V HA 0.595 4.715 4.120 -0.000 0.000 0.310 255 V C 0.143 176.264 176.094 0.046 0.000 1.158 255 V CA -0.722 61.601 62.300 0.038 0.000 1.029 255 V CB 1.968 33.818 31.823 0.045 0.000 1.057 255 V HN 0.294 nan 8.190 nan 0.000 0.436 256 V N -0.304 119.638 119.914 0.046 0.000 3.565 256 V HA 0.201 4.321 4.120 -0.000 0.000 0.260 256 V C 0.847 177.023 176.094 0.137 0.000 1.231 256 V CA 1.111 63.434 62.300 0.038 0.000 1.100 256 V CB 0.258 31.997 31.823 -0.140 0.000 0.807 256 V HN 0.994 nan 8.190 nan 0.000 0.454 257 T N 1.634 116.287 114.554 0.164 0.000 2.792 257 T HA 0.306 4.656 4.350 -0.000 0.000 0.280 257 T C -0.008 174.745 174.700 0.089 0.000 0.990 257 T CA -0.441 61.754 62.100 0.158 0.000 0.960 257 T CB 2.241 71.210 68.868 0.168 0.000 0.939 257 T HN 0.254 nan 8.240 nan 0.000 0.439 277 G N 0.794 109.589 108.800 -0.008 0.000 2.551 277 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 277 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 277 G C 1.226 176.121 174.900 -0.009 0.000 1.137 277 G CA 0.620 45.714 45.100 -0.009 0.000 0.798 277 G HN 0.351 nan 8.290 nan 0.000 0.536 278 K N 0.729 121.126 120.400 -0.005 0.000 2.026 278 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 278 K C -0.135 176.448 176.600 -0.028 0.000 1.048 278 K CA 1.514 57.792 56.287 -0.014 0.000 0.929 278 K CB -0.546 31.954 32.500 -0.000 0.000 0.713 278 K HN 0.297 nan 8.250 nan 0.000 0.439 279 P HA -0.079 nan 4.420 nan 0.000 0.219 279 P C 1.506 178.875 177.300 0.115 0.000 1.150 279 P CA 1.039 64.179 63.100 0.067 0.000 0.814 279 P CB 0.083 31.863 31.700 0.133 0.000 0.787 280 V N 0.828 120.775 119.914 0.055 0.000 2.270 280 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 280 V C 2.863 178.960 176.094 0.006 0.000 1.043 280 V CA 1.920 64.245 62.300 0.042 0.000 1.014 280 V CB -1.416 30.403 31.823 -0.007 0.000 0.645 280 V HN 0.100 nan 8.190 nan 0.000 0.447 281 Q N -0.778 119.007 119.800 -0.026 0.000 2.170 281 Q HA -0.196 4.144 4.340 -0.000 0.000 0.203 281 Q C 2.207 178.139 176.000 -0.113 0.000 0.976 281 Q CA 1.451 57.225 55.803 -0.048 0.000 0.858 281 Q CB -0.250 28.466 28.738 -0.037 0.000 0.907 281 Q HN 0.485 nan 8.270 nan 0.000 0.433 282 L N 0.393 121.504 121.223 -0.187 0.000 2.109 282 L HA -0.047 4.292 4.340 -0.000 0.000 0.207 282 L C 2.097 178.614 176.870 -0.589 0.000 1.086 282 L CA 1.799 56.378 54.840 -0.436 0.000 0.760 282 L CB -0.701 41.060 42.059 -0.497 0.000 0.910 282 L HN 0.105 nan 8.230 nan 0.000 0.437 283 A N -1.141 121.515 122.820 -0.273 0.000 1.902 283 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 283 A C 2.176 179.757 177.584 -0.005 0.000 1.181 283 A CA 1.737 53.706 52.037 -0.112 0.000 0.623 283 A CB -0.503 18.576 19.000 0.132 0.000 0.818 283 A HN 0.632 nan 8.150 nan 0.000 0.443 284 Q N -0.664 119.131 119.800 -0.007 0.000 2.119 284 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 284 Q C 2.194 178.240 176.000 0.078 0.000 0.972 284 Q CA 1.577 57.417 55.803 0.062 0.000 0.847 284 Q CB -0.174 28.580 28.738 0.026 0.000 0.903 284 Q HN 0.700 nan 8.270 nan 0.000 0.433 285 K N 0.451 120.836 120.400 -0.024 0.000 2.026 285 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 285 K C 1.852 178.500 176.600 0.081 0.000 1.048 285 K CA 1.233 57.511 56.287 -0.014 0.000 0.929 285 K CB -0.131 32.316 32.500 -0.088 0.000 0.713 285 K HN 0.313 nan 8.250 nan 0.000 0.439 286 Y N -0.965 119.319 120.300 -0.028 0.000 2.207 286 Y HA -0.304 4.246 4.550 -0.000 0.000 0.287 286 Y C 2.414 178.276 175.900 -0.064 0.000 1.156 286 Y CA 0.903 58.949 58.100 -0.091 0.000 1.182 286 Y CB -0.190 38.200 38.460 -0.117 0.000 0.979 286 Y HN 0.244 nan 8.280 nan 0.000 0.521 287 Y N 1.350 121.687 120.300 0.060 0.000 2.163 287 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 287 Y C 2.219 178.116 175.900 -0.005 0.000 1.136 287 Y CA 1.487 59.591 58.100 0.007 0.000 1.147 287 Y CB -0.619 37.838 38.460 -0.005 0.000 0.987 287 Y HN 0.103 nan 8.280 nan 0.000 0.509 288 Q N -0.254 119.433 119.800 -0.187 0.000 2.291 288 Q HA -0.168 4.171 4.340 -0.000 0.000 0.205 288 Q C 1.392 177.280 176.000 -0.186 0.000 0.970 288 Q CA 1.411 57.067 55.803 -0.245 0.000 0.876 288 Q CB -0.047 28.648 28.738 -0.071 0.000 0.935 288 Q HN 0.640 nan 8.270 nan 0.000 0.455 289 Q N -1.259 118.470 119.800 -0.119 0.000 2.204 289 Q HA 0.171 4.511 4.340 -0.000 0.000 0.209 289 Q C 0.489 176.394 176.000 -0.158 0.000 0.861 289 Q CA 0.353 56.096 55.803 -0.100 0.000 0.971 289 Q CB 1.174 29.892 28.738 -0.033 0.000 1.095 289 Q HN 0.481 nan 8.270 nan 0.000 0.486 290 G N 0.625 109.301 108.800 -0.208 0.000 2.195 290 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.224 290 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.224 290 G C 0.347 175.112 174.900 -0.225 0.000 0.990 290 G CA -0.260 44.704 45.100 -0.226 0.000 0.639 290 G HN 0.510 nan 8.290 nan 0.000 0.514 291 A N 0.625 123.327 122.820 -0.197 0.000 2.567 291 A HA 0.428 4.748 4.320 -0.000 0.000 0.240 291 A C 1.216 178.763 177.584 -0.062 0.000 1.053 291 A CA 1.180 53.117 52.037 -0.168 0.000 0.755 291 A CB 0.212 19.134 19.000 -0.130 0.000 0.978 291 A HN 0.256 nan 8.150 nan 0.000 0.507 292 D N 0.960 121.331 120.400 -0.048 0.000 2.323 292 D HA 0.064 4.703 4.640 -0.000 0.000 0.209 292 D C 0.468 176.918 176.300 0.250 0.000 0.973 292 D CA 1.138 55.178 54.000 0.067 0.000 0.874 292 D CB 0.460 41.319 40.800 0.099 0.000 0.930 292 D HN 0.784 nan 8.370 nan 0.000 0.521 293 E N -0.599 119.676 120.200 0.125 0.000 2.390 293 E HA 0.346 4.695 4.350 -0.000 0.000 0.280 293 E C -1.760 174.852 176.600 0.021 0.000 0.992 293 E CA -0.523 55.927 56.400 0.083 0.000 0.790 293 E CB 2.823 32.589 29.700 0.111 0.000 1.248 293 E HN -0.314 nan 8.360 nan 0.000 0.447 294 V N 2.042 121.950 119.914 -0.009 0.000 2.483 294 V HA 0.412 4.532 4.120 -0.000 0.000 0.297 294 V C -0.534 175.463 176.094 -0.161 0.000 1.027 294 V CA -0.596 61.640 62.300 -0.108 0.000 0.855 294 V CB 1.858 33.596 31.823 -0.142 0.000 0.995 294 V HN 0.668 nan 8.190 nan 0.000 0.424 295 T N 5.611 120.055 114.554 -0.184 0.000 2.794 295 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 295 T C -0.708 173.864 174.700 -0.214 0.000 0.987 295 T CA -0.049 61.992 62.100 -0.097 0.000 0.993 295 T CB 0.602 69.468 68.868 -0.004 0.000 0.939 295 T HN 0.307 nan 8.240 nan 0.000 0.449 296 F N 2.758 122.731 119.950 0.039 0.000 2.426 296 F HA 0.469 4.996 4.527 -0.000 0.000 0.348 296 F C 0.104 175.909 175.800 0.008 0.000 1.124 296 F CA -1.016 57.002 58.000 0.030 0.000 1.008 296 F CB 0.986 39.999 39.000 0.022 0.000 1.139 296 F HN 0.207 nan 8.300 nan 0.000 0.452 297 L N 3.998 125.323 121.223 0.170 0.000 2.264 297 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 297 L C 0.027 176.953 176.870 0.094 0.000 1.039 297 L CA -0.291 54.606 54.840 0.096 0.000 0.829 297 L CB 0.716 42.814 42.059 0.065 0.000 1.211 297 L HN 0.651 nan 8.230 nan 0.000 0.427 298 N N 4.397 123.135 118.700 0.063 0.000 2.458 298 N HA 0.343 5.082 4.740 -0.000 0.000 0.270 298 N C 0.050 175.582 175.510 0.037 0.000 1.102 298 N CA -0.270 52.812 53.050 0.053 0.000 0.967 298 N CB 0.762 39.272 38.487 0.038 0.000 1.078 298 N HN 0.588 nan 8.380 nan 0.000 0.471 299 I N 2.172 122.768 120.570 0.044 0.000 3.554 299 I HA -0.007 4.163 4.170 -0.000 0.000 0.321 299 I C 0.564 176.702 176.117 0.034 0.000 1.484 299 I CA -0.290 61.031 61.300 0.035 0.000 0.975 299 I CB 0.430 38.452 38.000 0.037 0.000 1.528 299 I HN 0.502 nan 8.210 nan 0.000 0.609 306 P HA 0.204 nan 4.420 nan 0.000 0.269 306 P C 0.804 178.086 177.300 -0.030 0.000 1.215 306 P CA -0.350 62.739 63.100 -0.018 0.000 0.780 306 P CB 0.556 32.244 31.700 -0.019 0.000 0.898 307 L N 3.334 124.539 121.223 -0.031 0.000 2.042 307 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 307 L C 2.111 178.926 176.870 -0.091 0.000 1.076 307 L CA 1.982 56.791 54.840 -0.053 0.000 0.749 307 L CB -1.016 41.020 42.059 -0.040 0.000 0.893 307 L HN 0.421 nan 8.230 nan 0.000 0.432 308 K N -1.719 118.637 120.400 -0.073 0.000 2.147 308 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 308 K C 0.732 177.279 176.600 -0.088 0.000 1.049 308 K CA 1.736 57.974 56.287 -0.082 0.000 0.936 308 K CB -0.475 31.993 32.500 -0.053 0.000 0.722 308 K HN 0.368 nan 8.250 nan 0.000 0.446 309 D N 1.463 121.821 120.400 -0.070 0.000 2.368 309 D HA 0.025 4.665 4.640 -0.000 0.000 0.218 309 D C -0.371 175.888 176.300 -0.069 0.000 1.112 309 D CA 0.163 54.125 54.000 -0.063 0.000 0.834 309 D CB 0.446 41.221 40.800 -0.041 0.000 0.953 309 D HN 0.135 nan 8.370 nan 0.000 0.505 310 T N 2.666 117.165 114.554 -0.092 0.000 2.831 310 T HA 0.024 4.374 4.350 -0.000 0.000 0.291 310 T C -1.399 173.248 174.700 -0.087 0.000 0.981 310 T CA -0.854 61.196 62.100 -0.083 0.000 1.174 310 T CB 1.378 70.179 68.868 -0.112 0.000 0.929 310 T HN -0.021 nan 8.240 nan 0.000 0.532 311 P HA -0.162 nan 4.420 nan 0.000 0.217 311 P C 1.650 178.910 177.300 -0.067 0.000 1.151 311 P CA 0.691 63.761 63.100 -0.051 0.000 0.849 311 P CB 0.035 31.719 31.700 -0.027 0.000 0.787 312 M N -1.279 118.293 119.600 -0.046 0.000 2.213 312 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 312 M C 1.764 178.000 176.300 -0.106 0.000 1.062 312 M CA 1.667 56.941 55.300 -0.043 0.000 1.105 312 M CB -1.240 31.415 32.600 0.091 0.000 1.385 312 M HN -0.158 nan 8.290 nan 0.000 0.417 313 L N -0.708 120.413 121.223 -0.170 0.000 2.083 313 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 313 L C 2.340 179.107 176.870 -0.172 0.000 1.083 313 L CA 1.377 56.072 54.840 -0.242 0.000 0.752 313 L CB -0.742 41.124 42.059 -0.322 0.000 0.899 313 L HN 0.282 nan 8.230 nan 0.000 0.433 314 E N -0.058 120.057 120.200 -0.141 0.000 2.208 314 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 314 E C 2.020 178.543 176.600 -0.129 0.000 0.988 314 E CA 0.772 57.104 56.400 -0.114 0.000 0.828 314 E CB 0.017 29.666 29.700 -0.086 0.000 0.763 314 E HN 0.204 nan 8.360 nan 0.000 0.478 315 V N 0.581 120.395 119.914 -0.167 0.000 2.358 315 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 315 V C 2.400 178.312 176.094 -0.303 0.000 1.047 315 V CA 1.488 63.654 62.300 -0.223 0.000 1.035 315 V CB -0.480 31.168 31.823 -0.292 0.000 0.658 315 V HN 0.276 nan 8.190 nan 0.000 0.452 316 L N -0.481 120.546 121.223 -0.327 0.000 2.017 316 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 316 L C 2.623 179.397 176.870 -0.161 0.000 1.073 316 L CA 1.813 56.486 54.840 -0.279 0.000 0.745 316 L CB -0.593 41.358 42.059 -0.181 0.000 0.894 316 L HN 0.249 nan 8.230 nan 0.000 0.432 317 K N -0.658 119.664 120.400 -0.130 0.000 2.032 317 K HA -0.223 4.096 4.320 -0.000 0.000 0.209 317 K C 2.281 178.827 176.600 -0.090 0.000 1.048 317 K CA 1.378 57.609 56.287 -0.092 0.000 0.927 317 K CB -0.077 32.376 32.500 -0.079 0.000 0.712 317 K HN 0.246 nan 8.250 nan 0.000 0.441 318 Q N -0.234 119.509 119.800 -0.096 0.000 2.079 318 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 318 Q C 2.177 178.120 176.000 -0.095 0.000 0.974 318 Q CA 1.531 57.285 55.803 -0.081 0.000 0.840 318 Q CB -0.298 28.399 28.738 -0.068 0.000 0.898 318 Q HN 0.330 nan 8.270 nan 0.000 0.430 319 A N 1.065 123.825 122.820 -0.101 0.000 1.930 319 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 319 A C 2.200 179.680 177.584 -0.172 0.000 1.175 319 A CA 1.636 53.625 52.037 -0.081 0.000 0.627 319 A CB -0.581 18.434 19.000 0.025 0.000 0.815 319 A HN 0.329 nan 8.150 nan 0.000 0.443 320 A N -0.571 122.149 122.820 -0.167 0.000 2.248 320 A HA -0.047 4.273 4.320 -0.000 0.000 0.210 320 A C 1.903 179.313 177.584 -0.290 0.000 1.174 320 A CA 1.382 53.290 52.037 -0.216 0.000 0.750 320 A CB -0.364 18.566 19.000 -0.118 0.000 0.780 320 A HN 0.572 nan 8.150 nan 0.000 0.478 321 K N -0.969 119.281 120.400 -0.249 0.000 2.243 321 K HA -0.040 4.279 4.320 -0.000 0.000 0.201 321 K C 1.650 178.025 176.600 -0.374 0.000 1.051 321 K CA 1.574 57.740 56.287 -0.202 0.000 0.970 321 K CB 0.101 32.547 32.500 -0.090 0.000 0.755 321 K HN 0.675 nan 8.250 nan 0.000 0.465 322 T N -3.393 110.843 114.554 -0.531 0.000 2.969 322 T HA 0.148 4.498 4.350 -0.000 0.000 0.258 322 T C 0.457 174.553 174.700 -1.005 0.000 0.962 322 T CA -0.402 61.328 62.100 -0.617 0.000 0.903 322 T CB 0.295 69.040 68.868 -0.204 0.000 1.177 322 T HN -0.223 nan 8.240 nan 0.000 0.511 323 V N 3.171 122.499 119.914 -0.977 0.000 2.356 323 V HA 0.384 4.504 4.120 -0.000 0.000 0.258 323 V C -0.527 174.891 176.094 -1.127 0.000 1.065 323 V CA -0.451 61.159 62.300 -1.151 0.000 0.935 323 V CB -0.855 30.660 31.823 -0.513 0.000 1.061 323 V HN 0.463 nan 8.190 nan 0.000 0.484 324 F N 4.997 124.396 119.950 -0.917 0.000 2.894 324 F HA 0.444 4.971 4.527 -0.000 0.000 0.310 324 F C 0.395 176.144 175.800 -0.084 0.000 1.204 324 F CA -0.529 57.281 58.000 -0.317 0.000 1.290 324 F CB 0.557 39.497 39.000 -0.099 0.000 1.317 324 F HN 0.414 nan 8.300 nan 0.000 0.545 325 V N -2.480 117.417 119.914 -0.028 0.000 3.114 325 V HA 0.669 4.789 4.120 -0.000 0.000 0.308 325 V C -2.767 173.270 176.094 -0.096 0.000 1.168 325 V CA -3.028 59.315 62.300 0.071 0.000 1.015 325 V CB 2.005 33.964 31.823 0.227 0.000 1.050 325 V HN -0.126 nan 8.190 nan 0.000 0.433 326 P HA 0.258 nan 4.420 nan 0.000 0.266 326 P C -0.978 176.283 177.300 -0.065 0.000 1.195 326 P CA 0.251 63.206 63.100 -0.242 0.000 0.768 326 P CB 0.601 32.030 31.700 -0.452 0.000 0.838 327 L N 2.519 123.745 121.223 0.004 0.000 2.341 327 L HA 0.453 4.793 4.340 -0.000 0.000 0.278 327 L C 0.483 177.438 176.870 0.141 0.000 1.005 327 L CA -0.400 54.512 54.840 0.120 0.000 0.818 327 L CB 2.034 44.209 42.059 0.193 0.000 1.259 327 L HN 0.252 nan 8.230 nan 0.000 0.418 328 T N 2.186 116.841 114.554 0.168 0.000 2.823 328 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 328 T C -0.846 173.967 174.700 0.188 0.000 0.998 328 T CA -0.429 61.755 62.100 0.140 0.000 0.994 328 T CB 2.536 71.458 68.868 0.090 0.000 0.960 328 T HN 0.292 nan 8.240 nan 0.000 0.448 329 V N 2.208 122.173 119.914 0.085 0.000 2.588 329 V HA 0.924 5.044 4.120 -0.000 0.000 0.304 329 V C -0.285 175.739 176.094 -0.116 0.000 1.042 329 V CA -0.148 62.158 62.300 0.010 0.000 0.877 329 V CB 1.620 33.378 31.823 -0.108 0.000 0.996 329 V HN 1.039 nan 8.190 nan 0.000 0.425 330 G N 3.097 111.847 108.800 -0.083 0.000 2.612 330 G HA2 0.752 4.712 3.960 -0.000 0.000 0.298 330 G HA3 0.752 4.712 3.960 -0.000 0.000 0.298 330 G C -0.191 174.646 174.900 -0.106 0.000 1.336 330 G CA -0.456 44.580 45.100 -0.108 0.000 0.953 330 G HN 1.828 nan 8.290 nan 0.000 0.482 331 G N -1.116 107.615 108.800 -0.115 0.000 3.071 331 G HA2 0.503 4.463 3.960 -0.000 0.000 0.620 331 G HA3 0.503 4.463 3.960 -0.000 0.000 0.620 331 G C 0.785 175.637 174.900 -0.080 0.000 1.204 331 G CA 0.708 45.764 45.100 -0.073 0.000 1.200 331 G HN 2.531 nan 8.290 nan 0.000 0.530 332 G N 0.413 109.182 108.800 -0.050 0.000 2.143 332 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.248 332 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.248 332 G C 0.412 175.290 174.900 -0.035 0.000 0.991 332 G CA 0.314 45.400 45.100 -0.022 0.000 0.689 332 G HN 1.515 nan 8.290 nan 0.000 0.522 333 I N 1.378 121.897 120.570 -0.086 0.000 2.294 333 I HA 0.410 4.579 4.170 -0.000 0.000 0.295 333 I C 0.752 176.847 176.117 -0.036 0.000 1.098 333 I CA 0.461 61.704 61.300 -0.096 0.000 1.277 333 I CB -0.288 37.609 38.000 -0.172 0.000 1.434 333 I HN 0.605 nan 8.210 nan 0.000 0.498 334 K N 3.632 124.030 120.400 -0.002 0.000 2.670 334 K HA 0.408 4.728 4.320 -0.000 0.000 0.289 334 K C -1.523 175.098 176.600 0.035 0.000 1.045 334 K CA -1.000 55.303 56.287 0.027 0.000 0.834 334 K CB 0.935 33.463 32.500 0.048 0.000 1.531 334 K HN -0.033 nan 8.250 nan 0.000 0.376 335 D N 1.610 122.037 120.400 0.046 0.000 2.348 335 D HA 0.322 4.961 4.640 -0.000 0.000 0.253 335 D C 0.062 176.386 176.300 0.040 0.000 1.161 335 D CA 0.039 54.064 54.000 0.041 0.000 0.876 335 D CB 0.518 41.343 40.800 0.042 0.000 1.160 335 D HN 0.518 nan 8.370 nan 0.000 0.459 336 I N -1.968 118.622 120.570 0.035 0.000 3.067 336 I HA 0.635 4.805 4.170 -0.000 0.000 0.312 336 I C -0.845 175.288 176.117 0.026 0.000 1.073 336 I CA -1.182 60.137 61.300 0.032 0.000 1.016 336 I CB 2.065 40.085 38.000 0.033 0.000 1.227 336 I HN -0.098 nan 8.210 nan 0.000 0.456 337 V N 2.640 122.568 119.914 0.023 0.000 2.349 337 V HA 0.275 4.395 4.120 -0.000 0.000 0.284 337 V C -0.257 175.846 176.094 0.016 0.000 1.014 337 V CA -0.340 61.971 62.300 0.018 0.000 0.826 337 V CB 0.776 32.609 31.823 0.018 0.000 1.009 337 V HN 0.750 nan 8.190 nan 0.000 0.431 338 D N 2.801 123.209 120.400 0.012 0.000 2.352 338 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 338 D C 1.326 177.630 176.300 0.007 0.000 1.286 338 D CA 0.037 54.042 54.000 0.008 0.000 0.923 338 D CB 1.645 42.448 40.800 0.004 0.000 1.146 338 D HN 0.187 nan 8.370 nan 0.000 0.471 339 V N 0.972 120.888 119.914 0.004 0.000 2.469 339 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 339 V C 1.509 177.605 176.094 0.004 0.000 1.064 339 V CA 2.325 64.627 62.300 0.003 0.000 1.066 339 V CB -0.822 31.001 31.823 0.000 0.000 0.667 339 V HN 0.639 nan 8.190 nan 0.000 0.461 340 D N -0.585 119.817 120.400 0.003 0.000 2.340 340 D HA 0.228 4.867 4.640 -0.000 0.000 0.220 340 D C 1.569 177.872 176.300 0.005 0.000 1.039 340 D CA 0.866 54.868 54.000 0.003 0.000 0.866 340 D CB 0.248 41.049 40.800 0.002 0.000 0.913 340 D HN 0.412 nan 8.370 nan 0.000 0.523 341 G N -0.497 108.307 108.800 0.007 0.000 2.217 341 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 341 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 341 G C 0.516 175.422 174.900 0.009 0.000 0.990 341 G CA 0.219 45.324 45.100 0.008 0.000 0.627 341 G HN 0.452 nan 8.290 nan 0.000 0.522 342 T N 2.340 116.899 114.554 0.009 0.000 2.908 342 T HA 0.333 4.683 4.350 -0.000 0.000 0.301 342 T C 0.550 175.258 174.700 0.013 0.000 1.019 342 T CA 0.502 62.608 62.100 0.010 0.000 1.152 342 T CB 0.811 69.684 68.868 0.009 0.000 0.966 342 T HN 0.342 nan 8.240 nan 0.000 0.540 343 K N 3.670 124.079 120.400 0.015 0.000 2.292 343 K HA 0.302 4.622 4.320 -0.000 0.000 0.290 343 K C -0.268 176.345 176.600 0.021 0.000 1.083 343 K CA -0.082 56.215 56.287 0.018 0.000 0.918 343 K CB 0.336 32.847 32.500 0.018 0.000 1.089 343 K HN 0.547 nan 8.250 nan 0.000 0.473 344 I N 6.483 127.066 120.570 0.022 0.000 2.328 344 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 344 I C -1.950 174.186 176.117 0.030 0.000 1.012 344 I CA -2.525 58.790 61.300 0.025 0.000 1.195 344 I CB 1.281 39.293 38.000 0.021 0.000 1.350 344 I HN 0.333 nan 8.210 nan 0.000 0.464 345 P HA 0.061 nan 4.420 nan 0.000 0.272 345 P C 0.608 177.933 177.300 0.041 0.000 1.223 345 P CA -0.184 62.940 63.100 0.040 0.000 0.784 345 P CB 1.264 32.991 31.700 0.045 0.000 0.923 346 A N 2.634 125.478 122.820 0.039 0.000 1.997 346 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 346 A C 1.971 179.573 177.584 0.029 0.000 1.172 346 A CA 1.845 53.900 52.037 0.029 0.000 0.645 346 A CB -1.518 17.499 19.000 0.028 0.000 0.813 346 A HN 0.562 nan 8.150 nan 0.000 0.454 347 L N 0.017 121.276 121.223 0.061 0.000 2.046 347 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 347 L C 2.103 179.034 176.870 0.102 0.000 1.077 347 L CA 2.501 57.404 54.840 0.104 0.000 0.747 347 L CB -0.633 41.503 42.059 0.128 0.000 0.896 347 L HN 0.536 nan 8.230 nan 0.000 0.432 348 E N -1.234 119.011 120.200 0.076 0.000 2.208 348 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 348 E C 2.138 178.753 176.600 0.024 0.000 0.988 348 E CA 1.087 57.526 56.400 0.065 0.000 0.828 348 E CB -0.033 29.699 29.700 0.054 0.000 0.763 348 E HN 0.423 nan 8.360 nan 0.000 0.478 349 V N 1.444 121.368 119.914 0.016 0.000 2.307 349 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 349 V C 2.367 178.470 176.094 0.014 0.000 1.045 349 V CA 1.848 64.168 62.300 0.032 0.000 1.024 349 V CB -0.666 31.191 31.823 0.056 0.000 0.651 349 V HN 0.291 nan 8.190 nan 0.000 0.449 350 A N -0.399 122.338 122.820 -0.138 0.000 1.933 350 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 350 A C 2.488 179.615 177.584 -0.762 0.000 1.175 350 A CA 2.185 53.904 52.037 -0.530 0.000 0.628 350 A CB -0.702 17.976 19.000 -0.537 0.000 0.814 350 A HN 0.487 nan 8.150 nan 0.000 0.444 351 S N -0.609 114.939 115.700 -0.254 0.000 2.368 351 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 351 S C 1.844 176.437 174.600 -0.012 0.000 1.030 351 S CA 1.444 59.649 58.200 0.007 0.000 0.999 351 S CB -0.385 62.940 63.200 0.209 0.000 0.844 351 S HN 0.473 nan 8.310 nan 0.000 0.459 352 L N 0.472 121.654 121.223 -0.069 0.000 2.046 352 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 352 L C 1.841 178.604 176.870 -0.177 0.000 1.077 352 L CA 1.768 56.539 54.840 -0.115 0.000 0.747 352 L CB -0.781 41.176 42.059 -0.171 0.000 0.896 352 L HN 0.297 nan 8.230 nan 0.000 0.432 353 Y N -1.448 118.713 120.300 -0.231 0.000 2.242 353 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 353 Y C 2.241 178.071 175.900 -0.116 0.000 1.137 353 Y CA 1.948 59.912 58.100 -0.225 0.000 1.181 353 Y CB -0.435 37.825 38.460 -0.333 0.000 0.989 353 Y HN 0.139 nan 8.280 nan 0.000 0.527 354 F N -0.354 119.603 119.950 0.012 0.000 2.075 354 F HA -0.236 4.291 4.527 -0.000 0.000 0.297 354 F C 2.283 178.061 175.800 -0.037 0.000 1.113 354 F CA 0.884 58.841 58.000 -0.070 0.000 1.218 354 F CB -0.321 38.548 39.000 -0.219 0.000 0.984 354 F HN -0.159 nan 8.300 nan 0.000 0.472 355 R N -0.149 120.455 120.500 0.173 0.000 2.285 355 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 355 R C 1.792 178.114 176.300 0.036 0.000 1.068 355 R CA 1.015 57.172 56.100 0.094 0.000 1.004 355 R CB -0.273 30.074 30.300 0.078 0.000 0.873 355 R HN 0.077 nan 8.270 nan 0.000 0.467 356 S N -1.439 114.268 115.700 0.011 0.000 2.548 356 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 356 S C 1.176 175.763 174.600 -0.022 0.000 0.976 356 S CA 0.622 58.800 58.200 -0.038 0.000 0.908 356 S CB 1.240 64.371 63.200 -0.115 0.000 0.781 356 S HN 0.641 nan 8.310 nan 0.000 0.519 357 G N 0.726 109.540 108.800 0.025 0.000 2.485 357 G HA2 0.002 3.962 3.960 -0.000 0.000 0.181 357 G HA3 0.002 3.962 3.960 -0.000 0.000 0.181 357 G C 0.129 175.059 174.900 0.051 0.000 0.999 357 G CA -0.277 44.830 45.100 0.012 0.000 0.721 357 G HN 0.665 nan 8.290 nan 0.000 0.486 358 A N 0.521 123.414 122.820 0.123 0.000 2.388 358 A HA 0.597 4.917 4.320 -0.000 0.000 0.257 358 A C 0.842 178.564 177.584 0.230 0.000 1.095 358 A CA 0.759 52.909 52.037 0.188 0.000 0.791 358 A CB 0.388 19.521 19.000 0.221 0.000 1.029 358 A HN 0.157 nan 8.150 nan 0.000 0.489 359 D N 0.451 120.930 120.400 0.131 0.000 2.423 359 D HA 0.130 4.770 4.640 -0.000 0.000 0.212 359 D C -0.043 176.251 176.300 -0.011 0.000 1.060 359 D CA 0.958 54.943 54.000 -0.024 0.000 0.872 359 D CB 0.489 41.247 40.800 -0.070 0.000 1.012 359 D HN 0.568 nan 8.370 nan 0.000 0.503 360 K N 0.643 121.153 120.400 0.183 0.000 2.532 360 K HA 0.450 4.770 4.320 -0.000 0.000 0.265 360 K C -0.908 175.829 176.600 0.228 0.000 0.948 360 K CA -0.789 55.630 56.287 0.220 0.000 0.842 360 K CB 3.537 36.101 32.500 0.107 0.000 1.392 360 K HN -0.212 nan 8.250 nan 0.000 0.436 361 V N -1.713 118.304 119.914 0.171 0.000 2.628 361 V HA 0.640 4.760 4.120 -0.000 0.000 0.306 361 V C -0.374 175.707 176.094 -0.022 0.000 1.045 361 V CA -0.683 61.598 62.300 -0.031 0.000 0.905 361 V CB 1.723 33.431 31.823 -0.193 0.000 0.997 361 V HN 0.687 nan 8.190 nan 0.000 0.436 362 S N 4.068 119.730 115.700 -0.064 0.000 2.451 362 S HA 0.771 5.241 4.470 -0.000 0.000 0.301 362 S C -0.634 173.929 174.600 -0.062 0.000 1.116 362 S CA -0.714 57.462 58.200 -0.040 0.000 1.093 362 S CB 0.657 63.842 63.200 -0.026 0.000 1.017 362 S HN 0.656 nan 8.310 nan 0.000 0.482 363 I N 4.721 125.266 120.570 -0.043 0.000 2.389 363 I HA 0.405 4.575 4.170 -0.000 0.000 0.288 363 I C 1.030 177.121 176.117 -0.045 0.000 0.999 363 I CA -0.438 60.834 61.300 -0.046 0.000 1.129 363 I CB 0.768 38.748 38.000 -0.032 0.000 1.288 363 I HN 0.838 nan 8.210 nan 0.000 0.444 364 G N 3.773 112.540 108.800 -0.056 0.000 2.534 364 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.220 364 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.220 364 G C 1.025 175.864 174.900 -0.103 0.000 1.699 364 G CA 0.466 45.529 45.100 -0.062 0.000 0.769 364 G HN 0.459 nan 8.290 nan 0.000 0.632 365 T N 1.100 115.570 114.554 -0.139 0.000 2.635 365 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 365 T C 1.892 176.349 174.700 -0.406 0.000 1.040 365 T CA 2.013 63.947 62.100 -0.277 0.000 1.156 365 T CB -0.384 68.345 68.868 -0.232 0.000 0.863 365 T HN 0.223 nan 8.240 nan 0.000 0.430 366 D N 0.383 120.670 120.400 -0.189 0.000 2.310 366 D HA 0.104 4.744 4.640 -0.000 0.000 0.212 366 D C 2.020 178.315 176.300 -0.009 0.000 0.965 366 D CA 0.674 54.648 54.000 -0.045 0.000 0.879 366 D CB -0.155 40.673 40.800 0.047 0.000 0.921 366 D HN 0.401 nan 8.370 nan 0.000 0.510 367 A N -0.488 122.300 122.820 -0.053 0.000 1.929 367 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 367 A C 2.280 179.867 177.584 0.005 0.000 1.176 367 A CA 0.772 52.797 52.037 -0.019 0.000 0.628 367 A CB -0.378 18.604 19.000 -0.031 0.000 0.816 367 A HN 0.161 nan 8.150 nan 0.000 0.444 368 V N -1.263 118.625 119.914 -0.044 0.000 2.379 368 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 368 V C 2.284 178.462 176.094 0.142 0.000 1.044 368 V CA 1.596 63.905 62.300 0.016 0.000 1.036 368 V CB -1.111 30.675 31.823 -0.063 0.000 0.664 368 V HN 0.699 nan 8.190 nan 0.000 0.453 369 Y N 0.412 120.754 120.300 0.069 0.000 2.145 369 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 369 Y C 2.666 178.612 175.900 0.076 0.000 1.145 369 Y CA 0.826 58.968 58.100 0.070 0.000 1.148 369 Y CB -0.389 38.102 38.460 0.052 0.000 0.981 369 Y HN 0.255 nan 8.280 nan 0.000 0.507 370 A N 0.282 123.240 122.820 0.231 0.000 1.933 370 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 370 A C 2.343 180.009 177.584 0.136 0.000 1.175 370 A CA 1.690 53.815 52.037 0.146 0.000 0.628 370 A CB -1.020 18.034 19.000 0.089 0.000 0.814 370 A HN 0.454 nan 8.150 nan 0.000 0.444 371 A N -0.270 122.630 122.820 0.132 0.000 1.930 371 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 371 A C 1.911 179.677 177.584 0.304 0.000 1.175 371 A CA 1.509 53.633 52.037 0.145 0.000 0.627 371 A CB -0.437 18.659 19.000 0.160 0.000 0.815 371 A HN 0.626 nan 8.150 nan 0.000 0.443 372 E N -0.413 119.966 120.200 0.298 0.000 2.072 372 E HA -0.186 4.163 4.350 -0.000 0.000 0.191 372 E C 2.067 178.818 176.600 0.251 0.000 0.985 372 E CA 1.315 57.901 56.400 0.310 0.000 0.801 372 E CB -0.119 29.728 29.700 0.245 0.000 0.750 372 E HN 0.610 nan 8.360 nan 0.000 0.452 373 K N 0.263 120.776 120.400 0.190 0.000 2.057 373 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 373 K C 2.139 178.803 176.600 0.107 0.000 1.049 373 K CA 1.206 57.569 56.287 0.126 0.000 0.931 373 K CB -0.206 32.358 32.500 0.105 0.000 0.714 373 K HN 0.111 nan 8.250 nan 0.000 0.440 374 Y N 0.143 120.425 120.300 -0.031 0.000 2.151 374 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 374 Y C 1.551 177.338 175.900 -0.190 0.000 1.166 374 Y CA 1.892 59.897 58.100 -0.158 0.000 1.163 374 Y CB -0.338 37.942 38.460 -0.300 0.000 0.974 374 Y HN 0.134 nan 8.280 nan 0.000 0.511 375 Y N 0.138 120.485 120.300 0.079 0.000 2.373 375 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 375 Y C 2.339 178.209 175.900 -0.050 0.000 1.129 375 Y CA 1.285 59.378 58.100 -0.011 0.000 1.226 375 Y CB -0.123 38.400 38.460 0.105 0.000 1.000 375 Y HN 0.215 nan 8.280 nan 0.000 0.549 376 E N 0.154 120.415 120.200 0.102 0.000 2.107 376 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 376 E C 1.536 178.130 176.600 -0.010 0.000 0.982 376 E CA 0.739 57.170 56.400 0.052 0.000 0.809 376 E CB -0.111 29.622 29.700 0.055 0.000 0.756 376 E HN 0.465 nan 8.360 nan 0.000 0.459 377 L N -0.061 121.124 121.223 -0.063 0.000 2.650 377 L HA 0.138 4.478 4.340 -0.000 0.000 0.235 377 L C 0.945 177.732 176.870 -0.137 0.000 1.149 377 L CA 0.262 55.047 54.840 -0.092 0.000 0.887 377 L CB -0.206 41.794 42.059 -0.098 0.000 1.021 377 L HN 0.218 nan 8.230 nan 0.000 0.441 378 G N 1.009 109.721 108.800 -0.147 0.000 2.248 378 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 378 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 378 G C 0.107 174.847 174.900 -0.266 0.000 1.085 378 G CA -0.085 44.932 45.100 -0.139 0.000 0.845 378 G HN 0.493 nan 8.290 nan 0.000 0.494 379 N N -1.366 116.998 118.700 -0.560 0.000 2.756 379 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 379 N C 0.343 175.236 175.510 -1.030 0.000 1.062 379 N CA 1.909 54.283 53.050 -1.128 0.000 0.696 379 N CB -0.941 37.332 38.487 -0.357 0.000 0.946 379 N HN 1.025 nan 8.380 nan 0.000 0.548 380 R N -0.928 119.034 120.500 -0.897 0.000 2.739 380 R HA 0.747 5.087 4.340 -0.000 0.000 0.271 380 R C 0.300 176.563 176.300 -0.062 0.000 1.010 380 R CA -0.599 55.346 56.100 -0.258 0.000 0.897 380 R CB 1.428 31.648 30.300 -0.134 0.000 1.236 380 R HN 0.094 nan 8.270 nan 0.000 0.466 381 G N -0.397 108.468 108.800 0.109 0.000 2.471 381 G HA2 0.327 4.287 3.960 -0.000 0.000 0.332 381 G HA3 0.327 4.287 3.960 -0.000 0.000 0.332 381 G C -0.264 174.668 174.900 0.053 0.000 1.176 381 G CA -0.594 44.578 45.100 0.121 0.000 0.949 381 G HN 0.731 nan 8.290 nan 0.000 0.488 382 D N -1.850 118.579 120.400 0.047 0.000 2.340 382 D HA 0.249 4.889 4.640 -0.000 0.000 0.217 382 D C 1.574 177.894 176.300 0.034 0.000 1.081 382 D CA 0.453 54.471 54.000 0.031 0.000 0.842 382 D CB 0.191 41.006 40.800 0.026 0.000 0.934 382 D HN 0.993 nan 8.370 nan 0.000 0.511 383 G N 0.415 109.240 108.800 0.042 0.000 2.153 383 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.252 383 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.252 383 G C 1.063 175.988 174.900 0.041 0.000 0.994 383 G CA 1.057 46.181 45.100 0.040 0.000 0.698 383 G HN 0.664 nan 8.290 nan 0.000 0.521 384 T N -2.234 112.345 114.554 0.042 0.000 3.001 384 T HA 0.494 4.844 4.350 -0.000 0.000 0.251 384 T C 1.410 176.139 174.700 0.048 0.000 1.040 384 T CA 1.126 63.252 62.100 0.042 0.000 0.985 384 T CB 0.199 69.089 68.868 0.037 0.000 1.011 384 T HN 1.480 nan 8.240 nan 0.000 0.509 385 S N 2.033 117.765 115.700 0.052 0.000 2.585 385 S HA 0.325 4.795 4.470 -0.000 0.000 0.273 385 S C -1.726 172.905 174.600 0.051 0.000 1.339 385 S CA -1.000 57.234 58.200 0.056 0.000 1.028 385 S CB 1.168 64.403 63.200 0.058 0.000 0.906 385 S HN -0.032 nan 8.310 nan 0.000 0.528 386 P HA -0.135 nan 4.420 nan 0.000 0.216 386 P C 1.353 178.680 177.300 0.044 0.000 1.153 386 P CA 1.246 64.372 63.100 0.043 0.000 0.858 386 P CB -0.118 31.599 31.700 0.029 0.000 0.789 387 I N -0.600 119.990 120.570 0.033 0.000 2.163 387 I HA -0.265 3.904 4.170 -0.000 0.000 0.243 387 I C 2.290 178.428 176.117 0.034 0.000 1.085 387 I CA 1.702 63.017 61.300 0.024 0.000 1.347 387 I CB -0.707 37.291 38.000 -0.002 0.000 1.044 387 I HN 0.023 nan 8.210 nan 0.000 0.408 388 E N 0.403 120.624 120.200 0.035 0.000 2.047 388 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 388 E C 2.249 178.880 176.600 0.051 0.000 0.987 388 E CA 2.091 58.514 56.400 0.038 0.000 0.799 388 E CB -0.152 29.572 29.700 0.039 0.000 0.752 388 E HN 0.605 nan 8.360 nan 0.000 0.449 389 T N -0.348 114.242 114.554 0.060 0.000 2.777 389 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 389 T C 2.010 176.773 174.700 0.104 0.000 1.040 389 T CA 0.802 62.945 62.100 0.072 0.000 1.141 389 T CB -0.359 68.554 68.868 0.074 0.000 0.868 389 T HN 0.040 nan 8.240 nan 0.000 0.444 390 I N 2.508 123.156 120.570 0.131 0.000 2.286 390 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 390 I C 3.045 179.295 176.117 0.222 0.000 1.104 390 I CA 1.426 62.862 61.300 0.227 0.000 1.397 390 I CB -0.436 37.677 38.000 0.187 0.000 1.072 390 I HN 0.430 nan 8.210 nan 0.000 0.417 391 S N 0.567 116.343 115.700 0.128 0.000 2.428 391 S HA -0.109 4.361 4.470 -0.000 0.000 0.230 391 S C 1.898 176.532 174.600 0.056 0.000 1.014 391 S CA 0.655 58.913 58.200 0.095 0.000 0.957 391 S CB -0.282 62.956 63.200 0.063 0.000 0.784 391 S HN 0.378 nan 8.310 nan 0.000 0.499 392 K N 1.082 121.504 120.400 0.036 0.000 2.228 392 K HA 0.270 4.590 4.320 -0.000 0.000 0.202 392 K C 2.289 178.842 176.600 -0.079 0.000 1.051 392 K CA 0.872 57.159 56.287 0.001 0.000 0.960 392 K CB -0.227 32.282 32.500 0.016 0.000 0.743 392 K HN 0.496 nan 8.250 nan 0.000 0.458 393 A N -0.124 122.607 122.820 -0.148 0.000 1.887 393 A HA -0.007 4.313 4.320 -0.000 0.000 0.212 393 A C 1.266 178.339 177.584 -0.851 0.000 1.198 393 A CA 0.813 52.510 52.037 -0.567 0.000 0.628 393 A CB -0.221 18.469 19.000 -0.516 0.000 0.847 393 A HN 0.248 nan 8.150 nan 0.000 0.449 394 Y N -0.486 119.694 120.300 -0.200 0.000 2.467 394 Y HA 0.433 4.983 4.550 -0.000 0.000 0.250 394 Y C 1.294 177.133 175.900 -0.102 0.000 1.155 394 Y CA 0.124 58.116 58.100 -0.180 0.000 1.249 394 Y CB 0.299 38.652 38.460 -0.179 0.000 1.146 394 Y HN 0.519 nan 8.280 nan 0.000 0.524 395 G N 0.314 109.146 108.800 0.054 0.000 2.699 395 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.686 395 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.686 395 G C 0.735 175.687 174.900 0.086 0.000 1.301 395 G CA -0.478 44.669 45.100 0.078 0.000 0.816 395 G HN 0.420 nan 8.290 nan 0.000 0.595 396 A N 0.367 123.236 122.820 0.081 0.000 1.978 396 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 396 A C 2.425 180.032 177.584 0.039 0.000 1.170 396 A CA 2.476 54.543 52.037 0.050 0.000 0.636 396 A CB -0.392 18.624 19.000 0.027 0.000 0.810 396 A HN 1.657 nan 8.150 nan 0.000 0.448 397 Q N -0.306 119.518 119.800 0.039 0.000 2.439 397 Q HA 0.001 4.341 4.340 -0.000 0.000 0.211 397 Q C 1.471 177.488 176.000 0.028 0.000 0.978 397 Q CA 1.523 57.342 55.803 0.027 0.000 0.897 397 Q CB -0.560 28.196 28.738 0.031 0.000 0.956 397 Q HN 0.581 nan 8.270 nan 0.000 0.483 398 A N 0.412 123.253 122.820 0.035 0.000 2.267 398 A HA 0.335 4.655 4.320 -0.000 0.000 0.213 398 A C 0.550 178.205 177.584 0.118 0.000 1.192 398 A CA -0.118 51.938 52.037 0.033 0.000 0.851 398 A CB 0.646 19.629 19.000 -0.028 0.000 0.881 398 A HN 0.127 nan 8.150 nan 0.000 0.494 399 V N 1.189 121.154 119.914 0.085 0.000 2.384 399 V HA 0.425 4.545 4.120 -0.000 0.000 0.287 399 V C -0.653 175.462 176.094 0.035 0.000 1.020 399 V CA -0.555 61.786 62.300 0.068 0.000 0.850 399 V CB 1.419 33.277 31.823 0.058 0.000 0.987 399 V HN 0.070 nan 8.190 nan 0.000 0.436 400 V N 5.679 125.610 119.914 0.027 0.000 2.555 400 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 400 V C -0.300 175.791 176.094 -0.005 0.000 1.038 400 V CA -0.660 61.647 62.300 0.012 0.000 0.887 400 V CB 2.134 33.970 31.823 0.021 0.000 0.991 400 V HN 0.579 nan 8.190 nan 0.000 0.434 401 I N 3.035 123.596 120.570 -0.015 0.000 2.312 401 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 401 I C 0.487 176.592 176.117 -0.020 0.000 1.008 401 I CA 0.200 61.486 61.300 -0.023 0.000 1.226 401 I CB 1.462 39.443 38.000 -0.032 0.000 1.371 401 I HN 0.615 nan 8.210 nan 0.000 0.468 402 S N 6.361 122.049 115.700 -0.020 0.000 2.399 402 S HA 0.421 4.891 4.470 -0.000 0.000 0.301 402 S C -0.301 174.291 174.600 -0.014 0.000 1.093 402 S CA -0.437 57.754 58.200 -0.015 0.000 1.077 402 S CB 0.140 63.331 63.200 -0.016 0.000 0.980 402 S HN 0.324 nan 8.310 nan 0.000 0.494 403 V N 5.893 125.802 119.914 -0.008 0.000 2.394 403 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 403 V C -0.298 175.803 176.094 0.013 0.000 1.031 403 V CA -0.650 61.653 62.300 0.005 0.000 0.881 403 V CB 1.577 33.404 31.823 0.006 0.000 0.982 403 V HN 0.770 nan 8.190 nan 0.000 0.451 404 D N 6.857 127.269 120.400 0.021 0.000 2.456 404 D HA 0.307 4.946 4.640 -0.000 0.000 0.287 404 D C -2.642 173.684 176.300 0.043 0.000 1.186 404 D CA -0.885 53.130 54.000 0.024 0.000 0.916 404 D CB 2.078 42.883 40.800 0.009 0.000 1.029 404 D HN 0.359 nan 8.370 nan 0.000 0.498 405 P HA 0.347 nan 4.420 nan 0.000 0.283 405 P C -0.666 176.702 177.300 0.114 0.000 1.278 405 P CA -0.638 62.537 63.100 0.126 0.000 0.834 405 P CB 2.010 33.845 31.700 0.225 0.000 1.150 406 K N -0.256 120.176 120.400 0.053 0.000 2.543 406 K HA 0.423 4.743 4.320 -0.000 0.000 0.255 406 K C -0.802 175.538 176.600 -0.433 0.000 0.934 406 K CA -0.991 55.235 56.287 -0.101 0.000 0.810 406 K CB 2.114 34.539 32.500 -0.124 0.000 1.315 406 K HN 0.342 nan 8.250 nan 0.000 0.433 407 R N 2.110 122.199 120.500 -0.685 0.000 2.537 407 R HA 0.244 4.584 4.340 -0.000 0.000 0.280 407 R C -1.108 174.695 176.300 -0.829 0.000 1.058 407 R CA -0.253 55.156 56.100 -1.152 0.000 1.057 407 R CB 0.737 30.420 30.300 -1.028 0.000 0.973 407 R HN 0.463 nan 8.270 nan 0.000 0.438 408 V N 6.013 125.331 119.914 -0.994 0.000 2.482 408 V HA 0.255 4.375 4.120 -0.000 0.000 0.295 408 V C -1.025 174.713 176.094 -0.593 0.000 1.026 408 V CA -0.754 61.089 62.300 -0.762 0.000 0.856 408 V CB 1.302 32.465 31.823 -1.099 0.000 1.001 408 V HN 0.692 nan 8.190 nan 0.000 0.424 409 Y N 3.782 123.937 120.300 -0.242 0.000 2.301 409 Y HA 0.633 5.183 4.550 -0.000 0.000 0.325 409 Y C 0.430 176.333 175.900 0.004 0.000 1.203 409 Y CA -0.239 57.791 58.100 -0.117 0.000 1.255 409 Y CB 1.835 40.236 38.460 -0.099 0.000 1.232 409 Y HN 0.557 nan 8.280 nan 0.000 0.501 410 V N -0.607 119.453 119.914 0.243 0.000 3.049 410 V HA 0.409 4.529 4.120 -0.000 0.000 0.309 410 V C -0.136 176.072 176.094 0.191 0.000 1.148 410 V CA -1.112 61.303 62.300 0.192 0.000 0.990 410 V CB 2.172 34.105 31.823 0.184 0.000 1.039 410 V HN 0.793 nan 8.190 nan 0.000 0.430 411 N N 1.367 120.146 118.700 0.130 0.000 2.331 411 N HA 0.028 4.768 4.740 -0.000 0.000 0.180 411 N C 0.673 176.284 175.510 0.168 0.000 1.019 411 N CA 1.452 54.585 53.050 0.138 0.000 0.881 411 N CB 0.298 38.827 38.487 0.072 0.000 0.972 411 N HN 1.079 nan 8.380 nan 0.000 0.435 412 S N -1.701 114.017 115.700 0.029 0.000 2.636 412 S HA 0.178 4.647 4.470 -0.000 0.000 0.268 412 S C 0.315 174.775 174.600 -0.233 0.000 1.159 412 S CA -0.721 57.355 58.200 -0.207 0.000 0.815 412 S CB 1.958 65.059 63.200 -0.165 0.000 1.130 412 S HN -0.114 nan 8.310 nan 0.000 0.471 413 Q N 0.797 120.384 119.800 -0.355 0.000 2.291 413 Q HA 0.160 4.500 4.340 -0.000 0.000 0.206 413 Q C 1.895 177.782 176.000 -0.189 0.000 0.976 413 Q CA 2.131 57.775 55.803 -0.266 0.000 0.875 413 Q CB -0.810 27.760 28.738 -0.279 0.000 0.927 413 Q HN 0.915 nan 8.270 nan 0.000 0.450 414 A N 0.053 122.779 122.820 -0.157 0.000 2.121 414 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 414 A C 1.312 178.840 177.584 -0.094 0.000 1.154 414 A CA 1.392 53.361 52.037 -0.113 0.000 0.679 414 A CB -0.229 18.718 19.000 -0.089 0.000 0.795 414 A HN 0.409 nan 8.150 nan 0.000 0.458 415 D N -0.979 119.368 120.400 -0.087 0.000 2.340 415 D HA 0.060 4.699 4.640 -0.000 0.000 0.220 415 D C 0.372 176.620 176.300 -0.087 0.000 1.039 415 D CA 0.974 54.941 54.000 -0.055 0.000 0.866 415 D CB 0.374 41.172 40.800 -0.003 0.000 0.913 415 D HN 0.357 nan 8.370 nan 0.000 0.523 416 T N -0.707 113.744 114.554 -0.171 0.000 2.885 416 T HA 0.181 4.531 4.350 -0.000 0.000 0.322 416 T C 0.239 174.746 174.700 -0.322 0.000 1.387 416 T CA -0.711 61.211 62.100 -0.297 0.000 1.041 416 T CB 1.719 70.259 68.868 -0.547 0.000 1.287 416 T HN -0.093 nan 8.240 nan 0.000 0.491 417 K N 1.970 122.167 120.400 -0.337 0.000 2.305 417 K HA 0.212 4.532 4.320 -0.000 0.000 0.199 417 K C 0.607 177.011 176.600 -0.328 0.000 1.047 417 K CA 0.353 56.475 56.287 -0.274 0.000 0.976 417 K CB 0.013 32.383 32.500 -0.215 0.000 0.765 417 K HN 0.275 nan 8.250 nan 0.000 0.474 418 N N 2.451 120.840 118.700 -0.519 0.000 2.529 418 N HA 0.017 4.757 4.740 -0.000 0.000 0.278 418 N C -0.703 174.594 175.510 -0.355 0.000 1.146 418 N CA -0.249 52.509 53.050 -0.486 0.000 0.980 418 N CB 1.254 39.222 38.487 -0.865 0.000 1.124 418 N HN 0.053 nan 8.380 nan 0.000 0.458 419 K N 1.486 121.767 120.400 -0.198 0.000 2.472 419 K HA 0.074 4.393 4.320 -0.000 0.000 0.280 419 K C -0.387 176.169 176.600 -0.073 0.000 1.028 419 K CA -0.187 55.952 56.287 -0.247 0.000 1.045 419 K CB 0.006 32.130 32.500 -0.627 0.000 0.902 419 K HN 0.378 nan 8.250 nan 0.000 0.478 420 V N 1.885 121.741 119.914 -0.096 0.000 3.096 420 V HA 0.871 4.991 4.120 -0.000 0.000 0.319 420 V C -0.628 175.501 176.094 0.058 0.000 1.103 420 V CA -0.913 61.378 62.300 -0.016 0.000 1.016 420 V CB 1.177 32.981 31.823 -0.031 0.000 1.090 420 V HN 0.725 nan 8.190 nan 0.000 0.449 421 F N -1.200 118.774 119.950 0.040 0.000 2.613 421 F HA 0.742 5.269 4.527 -0.000 0.000 0.310 421 F C -0.520 175.374 175.800 0.157 0.000 1.085 421 F CA -1.243 56.799 58.000 0.069 0.000 0.945 421 F CB 1.681 40.663 39.000 -0.030 0.000 1.298 421 F HN 0.797 nan 8.300 nan 0.000 0.455 422 E N 1.758 122.188 120.200 0.382 0.000 2.223 422 E HA 0.286 4.635 4.350 -0.000 0.000 0.282 422 E C -0.714 175.982 176.600 0.161 0.000 1.046 422 E CA -0.243 56.166 56.400 0.016 0.000 0.857 422 E CB 0.914 30.575 29.700 -0.064 0.000 1.055 422 E HN 0.839 nan 8.360 nan 0.000 0.409 423 T N 2.460 117.009 114.554 -0.008 0.000 2.934 423 T HA 0.093 4.443 4.350 -0.000 0.000 0.283 423 T C 0.776 175.421 174.700 -0.092 0.000 1.005 423 T CA -0.482 61.675 62.100 0.094 0.000 1.041 423 T CB 1.534 70.468 68.868 0.110 0.000 1.042 423 T HN 0.689 nan 8.240 nan 0.000 0.505 424 E N 1.447 121.484 120.200 -0.272 0.000 2.442 424 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 424 E C -0.725 175.538 176.600 -0.560 0.000 1.030 424 E CA 0.263 56.362 56.400 -0.501 0.000 0.869 424 E CB 0.224 29.476 29.700 -0.747 0.000 0.857 424 E HN 0.726 nan 8.360 nan 0.000 0.505 425 Y N 2.114 122.462 120.300 0.080 0.000 2.587 425 Y HA 0.332 4.882 4.550 -0.000 0.000 0.328 425 Y C -2.102 173.854 175.900 0.094 0.000 0.980 425 Y CA -2.992 55.156 58.100 0.080 0.000 1.272 425 Y CB 0.745 39.272 38.460 0.112 0.000 1.094 425 Y HN 0.017 nan 8.280 nan 0.000 0.503 426 P HA 0.012 nan 4.420 nan 0.000 0.267 426 P C 0.566 177.670 177.300 -0.326 0.000 1.200 426 P CA 0.162 63.219 63.100 -0.071 0.000 0.772 426 P CB 1.207 32.856 31.700 -0.085 0.000 0.855 427 G N 2.286 110.624 108.800 -0.770 0.000 2.588 427 G HA2 0.240 4.200 3.960 -0.000 0.000 0.278 427 G HA3 0.240 4.200 3.960 -0.000 0.000 0.278 427 G C -1.572 172.988 174.900 -0.566 0.000 1.307 427 G CA -1.175 43.107 45.100 -1.363 0.000 1.016 427 G HN 0.268 nan 8.290 nan 0.000 0.503 428 P HA -0.114 nan 4.420 nan 0.000 0.217 428 P C 1.040 178.245 177.300 -0.159 0.000 1.151 428 P CA 1.164 64.136 63.100 -0.214 0.000 0.849 428 P CB 0.204 31.814 31.700 -0.150 0.000 0.787 429 N N -1.987 116.615 118.700 -0.163 0.000 2.273 429 N HA 0.161 4.901 4.740 -0.000 0.000 0.231 429 N C 0.946 176.396 175.510 -0.101 0.000 1.134 429 N CA 0.791 53.779 53.050 -0.103 0.000 0.856 429 N CB 0.500 38.946 38.487 -0.069 0.000 1.068 429 N HN 0.138 nan 8.380 nan 0.000 0.510 430 G N 1.279 109.993 108.800 -0.143 0.000 2.143 430 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.249 430 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.249 430 G C -0.249 174.588 174.900 -0.105 0.000 0.981 430 G CA -0.188 44.843 45.100 -0.115 0.000 0.665 430 G HN 0.354 nan 8.290 nan 0.000 0.528 431 E N 0.240 120.362 120.200 -0.130 0.000 2.480 431 E HA 0.369 4.719 4.350 -0.000 0.000 0.258 431 E C 1.199 177.790 176.600 -0.014 0.000 0.984 431 E CA 0.448 56.832 56.400 -0.025 0.000 0.930 431 E CB 0.550 30.277 29.700 0.044 0.000 0.936 431 E HN 0.471 nan 8.360 nan 0.000 0.466 432 K N 2.121 122.492 120.400 -0.048 0.000 2.374 432 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 432 K C -0.481 175.825 176.600 -0.491 0.000 1.023 432 K CA 0.170 56.298 56.287 -0.266 0.000 1.103 432 K CB 0.376 32.632 32.500 -0.407 0.000 0.848 432 K HN 0.444 nan 8.250 nan 0.000 0.528 433 Y N -0.244 120.078 120.300 0.037 0.000 2.562 433 Y HA 0.415 4.965 4.550 -0.000 0.000 0.343 433 Y C 0.102 175.920 175.900 -0.136 0.000 1.025 433 Y CA -1.258 56.797 58.100 -0.074 0.000 1.082 433 Y CB 1.744 40.171 38.460 -0.055 0.000 1.264 433 Y HN 0.053 nan 8.280 nan 0.000 0.478 434 C N -0.225 118.928 119.300 -0.246 0.000 3.307 434 C HA 0.774 5.234 4.460 -0.000 0.000 0.333 434 C C -1.817 172.925 174.990 -0.414 0.000 1.291 434 C CA -1.169 57.586 59.018 -0.438 0.000 1.273 434 C CB 1.046 28.245 27.740 -0.901 0.000 1.580 434 C HN 1.088 nan 8.230 nan 0.000 0.481 435 W N -0.310 120.730 121.300 -0.432 0.000 2.975 435 W HA 0.722 5.381 4.660 -0.000 0.000 0.342 435 W C -2.441 173.983 176.519 -0.158 0.000 1.168 435 W CA -1.506 55.732 57.345 -0.178 0.000 1.141 435 W CB 0.556 29.980 29.460 -0.060 0.000 1.445 435 W HN 0.763 nan 8.180 nan 0.000 0.560 436 Y N 1.918 122.255 120.300 0.061 0.000 2.331 436 Y HA 0.245 4.795 4.550 -0.000 0.000 0.338 436 Y C 0.616 176.471 175.900 -0.075 0.000 0.976 436 Y CA -0.653 57.384 58.100 -0.105 0.000 1.137 436 Y CB 1.740 40.258 38.460 0.097 0.000 1.172 436 Y HN 0.389 nan 8.280 nan 0.000 0.478 437 Q N 2.764 122.356 119.800 -0.346 0.000 2.261 437 Q HA 0.427 4.767 4.340 -0.000 0.000 0.252 437 Q C -0.975 175.045 176.000 0.033 0.000 0.915 437 Q CA -0.526 55.161 55.803 -0.194 0.000 0.915 437 Q CB 0.712 29.152 28.738 -0.496 0.000 1.204 437 Q HN 0.791 nan 8.270 nan 0.000 0.421 438 C N 3.177 122.561 119.300 0.139 0.000 2.466 438 C HA 0.607 5.066 4.460 -0.000 0.000 0.379 438 C C 0.562 175.591 174.990 0.066 0.000 1.251 438 C CA -0.471 58.611 59.018 0.108 0.000 2.263 438 C CB 0.234 28.053 27.740 0.131 0.000 2.511 438 C HN 0.902 nan 8.230 nan 0.000 0.573 439 T N 0.687 115.261 114.554 0.035 0.000 2.926 439 T HA 0.857 5.207 4.350 -0.000 0.000 0.289 439 T C -0.650 174.042 174.700 -0.013 0.000 1.054 439 T CA -0.600 61.509 62.100 0.015 0.000 1.015 439 T CB 1.358 70.230 68.868 0.006 0.000 1.167 439 T HN 0.791 nan 8.240 nan 0.000 0.526 440 I N -2.623 117.931 120.570 -0.026 0.000 3.264 440 I HA 0.666 4.836 4.170 -0.000 0.000 0.315 440 I C -0.993 175.100 176.117 -0.039 0.000 1.154 440 I CA -1.845 59.411 61.300 -0.073 0.000 0.962 440 I CB 1.918 39.824 38.000 -0.158 0.000 1.265 440 I HN 0.785 nan 8.210 nan 0.000 0.463 441 K N 2.251 122.622 120.400 -0.048 0.000 3.419 441 K HA -0.147 4.173 4.320 -0.000 0.000 0.272 441 K C 0.692 177.289 176.600 -0.004 0.000 0.973 441 K CA 0.667 56.945 56.287 -0.015 0.000 0.749 441 K CB -1.952 30.554 32.500 0.010 0.000 1.403 441 K HN 1.462 nan 8.250 nan 0.000 0.456 442 G N -0.691 108.104 108.800 -0.008 0.000 2.225 442 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.267 442 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.267 442 G C 0.888 175.789 174.900 0.002 0.000 1.024 442 G CA 0.943 46.042 45.100 -0.000 0.000 0.784 442 G HN 1.625 nan 8.290 nan 0.000 0.507 443 G N -1.366 107.433 108.800 -0.002 0.000 2.159 443 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.256 443 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.256 443 G C 1.047 175.949 174.900 0.003 0.000 0.977 443 G CA 1.168 46.268 45.100 0.000 0.000 0.652 443 G HN 0.950 nan 8.290 nan 0.000 0.531 444 R N 0.079 120.584 120.500 0.007 0.000 2.240 444 R HA 0.199 4.539 4.340 -0.000 0.000 0.203 444 R C 0.826 177.137 176.300 0.019 0.000 1.011 444 R CA 0.948 57.056 56.100 0.013 0.000 1.007 444 R CB 0.366 30.676 30.300 0.016 0.000 0.911 444 R HN 0.554 nan 8.270 nan 0.000 0.468 445 E N 0.497 120.710 120.200 0.021 0.000 2.290 445 E HA 0.235 4.585 4.350 -0.000 0.000 0.274 445 E C -1.288 175.333 176.600 0.035 0.000 0.889 445 E CA -0.303 56.118 56.400 0.034 0.000 0.760 445 E CB 1.907 31.637 29.700 0.050 0.000 1.206 445 E HN -0.089 nan 8.360 nan 0.000 0.419 446 S N 2.666 118.391 115.700 0.042 0.000 2.646 446 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 446 S C -0.349 174.301 174.600 0.084 0.000 1.222 446 S CA -0.758 57.472 58.200 0.051 0.000 1.014 446 S CB 1.017 64.240 63.200 0.038 0.000 0.991 446 S HN 0.372 nan 8.310 nan 0.000 0.533 447 R N 0.926 121.492 120.500 0.110 0.000 2.795 447 R HA 0.275 4.615 4.340 -0.000 0.000 0.275 447 R C -1.348 175.067 176.300 0.192 0.000 0.981 447 R CA -0.735 55.451 56.100 0.143 0.000 0.917 447 R CB 1.456 31.843 30.300 0.145 0.000 1.202 447 R HN 0.565 nan 8.270 nan 0.000 0.469 448 D N 1.966 122.473 120.400 0.180 0.000 2.934 448 D HA 0.181 4.820 4.640 -0.000 0.000 0.237 448 D C -0.939 175.456 176.300 0.159 0.000 1.158 448 D CA -0.024 54.091 54.000 0.192 0.000 0.971 448 D CB -0.291 40.574 40.800 0.108 0.000 1.123 448 D HN 0.106 nan 8.370 nan 0.000 0.467 449 L N 0.643 122.017 121.223 0.251 0.000 2.436 449 L HA 0.721 5.060 4.340 -0.000 0.000 0.268 449 L C 0.103 177.203 176.870 0.384 0.000 0.974 449 L CA -0.645 54.331 54.840 0.226 0.000 0.826 449 L CB 2.003 44.185 42.059 0.206 0.000 1.291 449 L HN 0.088 nan 8.230 nan 0.000 0.406 450 G N 2.489 111.509 108.800 0.366 0.000 2.477 450 G HA2 0.438 4.398 3.960 -0.000 0.000 0.304 450 G HA3 0.438 4.398 3.960 -0.000 0.000 0.304 450 G C 0.572 175.726 174.900 0.424 0.000 1.175 450 G CA -0.305 45.130 45.100 0.557 0.000 0.907 450 G HN 0.541 nan 8.290 nan 0.000 0.509 451 V N 0.730 120.921 119.914 0.461 0.000 2.515 451 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 451 V C 2.100 178.362 176.094 0.279 0.000 1.058 451 V CA 1.491 63.986 62.300 0.326 0.000 1.064 451 V CB -0.474 31.539 31.823 0.316 0.000 0.675 451 V HN 0.803 nan 8.190 nan 0.000 0.461 452 W N 1.176 122.589 121.300 0.189 0.000 2.355 452 W HA -0.199 4.461 4.660 -0.000 0.000 0.309 452 W C 2.144 178.717 176.519 0.090 0.000 1.206 452 W CA 2.121 59.500 57.345 0.056 0.000 1.284 452 W CB -0.160 29.378 29.460 0.130 0.000 1.145 452 W HN 0.330 nan 8.180 nan 0.000 0.502 453 E N 0.631 121.058 120.200 0.378 0.000 2.072 453 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 453 E C 1.969 178.758 176.600 0.314 0.000 0.985 453 E CA 1.482 58.058 56.400 0.294 0.000 0.801 453 E CB -1.036 28.716 29.700 0.087 0.000 0.750 453 E HN 0.220 nan 8.360 nan 0.000 0.452 454 L N 0.836 122.194 121.223 0.226 0.000 1.994 454 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 454 L C 2.329 179.217 176.870 0.031 0.000 1.071 454 L CA 2.491 57.423 54.840 0.153 0.000 0.745 454 L CB -1.159 40.979 42.059 0.131 0.000 0.892 454 L HN 0.342 nan 8.230 nan 0.000 0.431 455 T N -2.695 111.847 114.554 -0.020 0.000 2.746 455 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 455 T C 2.051 176.650 174.700 -0.169 0.000 1.039 455 T CA 1.521 63.558 62.100 -0.106 0.000 1.142 455 T CB -0.590 68.192 68.868 -0.145 0.000 0.866 455 T HN 0.380 nan 8.240 nan 0.000 0.444 456 R N 1.273 121.652 120.500 -0.202 0.000 2.096 456 R HA 0.163 4.503 4.340 -0.000 0.000 0.235 456 R C 3.012 179.164 176.300 -0.246 0.000 1.127 456 R CA 1.249 57.213 56.100 -0.227 0.000 0.968 456 R CB -0.693 29.465 30.300 -0.237 0.000 0.861 456 R HN 0.556 nan 8.270 nan 0.000 0.440 457 A N 0.578 123.246 122.820 -0.253 0.000 1.858 457 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 457 A C 2.356 179.581 177.584 -0.597 0.000 1.190 457 A CA 1.464 53.090 52.037 -0.686 0.000 0.617 457 A CB -0.906 17.808 19.000 -0.476 0.000 0.827 457 A HN 0.461 nan 8.150 nan 0.000 0.443 458 C N -0.665 118.455 119.300 -0.301 0.000 2.422 458 C HA -0.068 4.391 4.460 -0.000 0.000 0.279 458 C C 2.614 177.491 174.990 -0.188 0.000 1.305 458 C CA 1.140 60.035 59.018 -0.204 0.000 1.757 458 C CB -1.226 26.445 27.740 -0.114 0.000 1.962 458 C HN 0.739 nan 8.230 nan 0.000 0.499 459 E N 0.822 120.903 120.200 -0.199 0.000 2.106 459 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 459 E C 2.230 178.733 176.600 -0.163 0.000 0.984 459 E CA 1.175 57.478 56.400 -0.161 0.000 0.806 459 E CB -0.085 29.515 29.700 -0.166 0.000 0.750 459 E HN 0.633 nan 8.360 nan 0.000 0.458 460 A N 0.799 123.473 122.820 -0.242 0.000 1.929 460 A HA -0.055 4.264 4.320 -0.000 0.000 0.216 460 A C 2.082 179.572 177.584 -0.157 0.000 1.176 460 A CA 0.595 52.508 52.037 -0.207 0.000 0.628 460 A CB -0.385 18.426 19.000 -0.315 0.000 0.816 460 A HN 0.255 nan 8.150 nan 0.000 0.444 461 L N -1.517 119.576 121.223 -0.217 0.000 2.465 461 L HA 0.101 4.441 4.340 -0.000 0.000 0.224 461 L C 1.688 178.528 176.870 -0.050 0.000 1.145 461 L CA 0.782 55.556 54.840 -0.110 0.000 0.834 461 L CB -0.123 41.860 42.059 -0.127 0.000 0.944 461 L HN 0.610 nan 8.230 nan 0.000 0.451 462 G N -0.982 107.783 108.800 -0.058 0.000 2.227 462 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.168 462 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.168 462 G C 0.309 175.199 174.900 -0.018 0.000 1.006 462 G CA -0.252 44.836 45.100 -0.020 0.000 0.684 462 G HN 0.380 nan 8.290 nan 0.000 0.489 463 A N 0.326 123.121 122.820 -0.042 0.000 2.498 463 A HA 0.627 4.947 4.320 -0.000 0.000 0.239 463 A C 1.556 179.119 177.584 -0.035 0.000 1.068 463 A CA 1.388 53.405 52.037 -0.033 0.000 0.766 463 A CB 0.699 19.667 19.000 -0.053 0.000 1.003 463 A HN 1.468 nan 8.150 nan 0.000 0.497 464 G N 0.293 109.083 108.800 -0.018 0.000 2.939 464 G HA2 0.388 4.347 3.960 -0.000 0.000 0.216 464 G HA3 0.388 4.347 3.960 -0.000 0.000 0.216 464 G C 0.307 175.189 174.900 -0.030 0.000 1.125 464 G CA 0.612 45.698 45.100 -0.025 0.000 0.766 464 G HN 0.803 nan 8.290 nan 0.000 0.541 465 E N -0.247 119.940 120.200 -0.023 0.000 2.375 465 E HA 0.440 4.790 4.350 -0.000 0.000 0.280 465 E C -1.695 174.889 176.600 -0.025 0.000 0.972 465 E CA -0.783 55.605 56.400 -0.020 0.000 0.782 465 E CB 1.845 31.548 29.700 0.006 0.000 1.229 465 E HN -0.161 nan 8.360 nan 0.000 0.439 466 I N 3.859 124.410 120.570 -0.033 0.000 2.389 466 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 466 I C -0.557 175.541 176.117 -0.032 0.000 0.999 466 I CA -0.787 60.489 61.300 -0.040 0.000 1.129 466 I CB 1.176 39.139 38.000 -0.062 0.000 1.288 466 I HN 0.486 nan 8.210 nan 0.000 0.444 467 L N 8.309 129.518 121.223 -0.023 0.000 2.315 467 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 467 L C -0.571 176.282 176.870 -0.028 0.000 1.088 467 L CA -0.364 54.465 54.840 -0.019 0.000 0.899 467 L CB 0.452 42.510 42.059 -0.002 0.000 1.277 467 L HN 0.434 nan 8.230 nan 0.000 0.431 468 L N 5.343 126.536 121.223 -0.049 0.000 2.356 468 L HA 0.386 4.726 4.340 -0.000 0.000 0.282 468 L C 0.085 176.928 176.870 -0.046 0.000 1.132 468 L CA 0.294 55.100 54.840 -0.057 0.000 0.923 468 L CB -0.451 41.553 42.059 -0.091 0.000 1.278 468 L HN 0.655 nan 8.230 nan 0.000 0.436 469 N N 2.672 121.363 118.700 -0.016 0.000 2.364 469 N HA 0.518 5.258 4.740 -0.000 0.000 0.264 469 N C -1.044 174.474 175.510 0.013 0.000 1.263 469 N CA -0.399 52.653 53.050 0.003 0.000 0.959 469 N CB 0.884 39.378 38.487 0.011 0.000 1.204 469 N HN 0.510 nan 8.380 nan 0.000 0.550 470 C N 0.876 120.191 119.300 0.026 0.000 2.727 470 C HA 0.372 4.832 4.460 -0.000 0.000 0.369 470 C C 1.239 176.248 174.990 0.031 0.000 1.067 470 C CA -0.635 58.413 59.018 0.051 0.000 1.273 470 C CB -1.155 26.621 27.740 0.060 0.000 1.778 470 C HN 0.844 nan 8.230 nan 0.000 0.467 471 I N 2.495 123.083 120.570 0.030 0.000 2.315 471 I HA -0.160 4.010 4.170 -0.000 0.000 0.251 471 I C 1.697 177.810 176.117 -0.006 0.000 1.125 471 I CA 1.648 62.952 61.300 0.007 0.000 1.392 471 I CB -0.034 37.966 38.000 0.001 0.000 1.065 471 I HN 0.709 nan 8.210 nan 0.000 0.424 472 D N 0.701 121.099 120.400 -0.003 0.000 2.269 472 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 472 D C 1.937 178.216 176.300 -0.034 0.000 0.963 472 D CA 0.894 54.882 54.000 -0.020 0.000 0.864 472 D CB 0.023 40.811 40.800 -0.019 0.000 0.936 472 D HN 0.330 nan 8.370 nan 0.000 0.505 473 K N 0.457 120.837 120.400 -0.032 0.000 2.354 473 K HA 0.020 4.340 4.320 -0.000 0.000 0.194 473 K C 0.221 176.774 176.600 -0.078 0.000 1.045 473 K CA -0.238 56.007 56.287 -0.070 0.000 1.026 473 K CB 0.225 32.679 32.500 -0.077 0.000 0.866 473 K HN -0.008 nan 8.250 nan 0.000 0.530 474 D N 1.688 122.061 120.400 -0.045 0.000 2.570 474 D HA -0.016 4.624 4.640 -0.000 0.000 0.243 474 D C 0.998 177.269 176.300 -0.048 0.000 1.171 474 D CA 1.438 55.416 54.000 -0.038 0.000 0.879 474 D CB 0.105 40.896 40.800 -0.015 0.000 1.143 474 D HN 0.463 nan 8.370 nan 0.000 0.511 475 G N 3.082 111.848 108.800 -0.057 0.000 2.212 475 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 475 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 475 G C 1.042 175.903 174.900 -0.065 0.000 1.002 475 G CA 1.213 46.282 45.100 -0.053 0.000 0.729 475 G HN 0.792 nan 8.290 nan 0.000 0.517 476 S N -0.145 115.499 115.700 -0.092 0.000 2.528 476 S HA 0.046 4.515 4.470 -0.000 0.000 0.219 476 S C 1.414 175.952 174.600 -0.104 0.000 0.985 476 S CA 0.889 59.033 58.200 -0.093 0.000 0.914 476 S CB -0.162 62.976 63.200 -0.104 0.000 0.776 476 S HN 0.821 nan 8.310 nan 0.000 0.526 477 N N 1.441 120.061 118.700 -0.133 0.000 2.681 477 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 477 N C 0.642 176.098 175.510 -0.089 0.000 1.133 477 N CA 1.215 54.203 53.050 -0.104 0.000 0.732 477 N CB -1.923 36.546 38.487 -0.030 0.000 1.107 477 N HN 0.824 nan 8.380 nan 0.000 0.559 478 S N -1.274 114.289 115.700 -0.230 0.000 2.557 478 S HA 0.476 4.945 4.470 -0.000 0.000 0.223 478 S C 0.912 175.170 174.600 -0.570 0.000 0.969 478 S CA 0.690 58.744 58.200 -0.244 0.000 0.927 478 S CB 0.944 64.047 63.200 -0.163 0.000 0.806 478 S HN 1.040 nan 8.310 nan 0.000 0.489 479 G N 0.259 108.393 108.800 -1.110 0.000 2.541 479 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.686 479 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.686 479 G C -1.079 173.375 174.900 -0.744 0.000 1.286 479 G CA -0.947 43.365 45.100 -1.313 0.000 0.894 479 G HN 0.256 nan 8.290 nan 0.000 0.575 480 Y N 0.135 120.185 120.300 -0.417 0.000 2.316 480 Y HA 0.477 5.027 4.550 -0.000 0.000 0.324 480 Y C 0.987 176.774 175.900 -0.188 0.000 1.267 480 Y CA -0.221 57.709 58.100 -0.283 0.000 1.311 480 Y CB 0.996 39.285 38.460 -0.286 0.000 1.267 480 Y HN 0.495 nan 8.280 nan 0.000 0.516 481 D N 2.518 122.950 120.400 0.054 0.000 2.470 481 D HA 0.075 4.715 4.640 -0.000 0.000 0.226 481 D C 0.815 177.128 176.300 0.023 0.000 1.196 481 D CA 0.322 54.343 54.000 0.036 0.000 0.979 481 D CB 0.109 40.942 40.800 0.056 0.000 1.059 481 D HN 0.599 nan 8.370 nan 0.000 0.515 482 L N 2.297 123.543 121.223 0.038 0.000 2.042 482 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 482 L C 2.131 179.001 176.870 0.000 0.000 1.076 482 L CA 1.091 55.942 54.840 0.018 0.000 0.749 482 L CB -0.319 41.770 42.059 0.050 0.000 0.893 482 L HN 0.366 nan 8.230 nan 0.000 0.432 483 E N 0.136 120.371 120.200 0.058 0.000 2.106 483 E HA -0.228 4.121 4.350 -0.000 0.000 0.192 483 E C 2.143 178.649 176.600 -0.156 0.000 0.984 483 E CA 0.922 57.313 56.400 -0.015 0.000 0.806 483 E CB -0.143 29.664 29.700 0.178 0.000 0.750 483 E HN 0.276 nan 8.360 nan 0.000 0.458 484 L N 1.347 122.498 121.223 -0.120 0.000 2.017 484 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 484 L C 2.032 178.788 176.870 -0.190 0.000 1.073 484 L CA 1.533 56.179 54.840 -0.323 0.000 0.745 484 L CB -0.333 41.434 42.059 -0.488 0.000 0.894 484 L HN 0.084 nan 8.230 nan 0.000 0.432 485 I N -0.452 120.029 120.570 -0.149 0.000 2.127 485 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 485 I C 2.455 178.508 176.117 -0.107 0.000 1.075 485 I CA 1.341 62.561 61.300 -0.134 0.000 1.334 485 I CB -0.520 37.393 38.000 -0.144 0.000 1.040 485 I HN 0.306 nan 8.210 nan 0.000 0.405 486 E N -0.123 120.016 120.200 -0.102 0.000 2.153 486 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 486 E C 2.010 178.567 176.600 -0.070 0.000 0.988 486 E CA 1.298 57.648 56.400 -0.084 0.000 0.811 486 E CB -0.452 29.194 29.700 -0.090 0.000 0.746 486 E HN 0.567 nan 8.360 nan 0.000 0.466 487 H N 0.495 119.418 119.070 -0.245 0.000 2.357 487 H HA -0.039 4.516 4.556 -0.000 0.000 0.301 487 H C 1.907 177.265 175.328 0.050 0.000 1.082 487 H CA 1.558 57.501 56.048 -0.175 0.000 1.342 487 H CB -0.020 29.528 29.762 -0.355 0.000 1.389 487 H HN -0.079 nan 8.280 nan 0.000 0.511 488 V N 0.711 120.541 119.914 -0.139 0.000 2.591 488 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 488 V C 2.281 178.263 176.094 -0.188 0.000 1.053 488 V CA 1.459 63.637 62.300 -0.203 0.000 1.068 488 V CB -0.300 31.437 31.823 -0.143 0.000 0.689 488 V HN 0.297 nan 8.190 nan 0.000 0.462 489 K N 0.112 120.441 120.400 -0.118 0.000 2.283 489 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 489 K C 1.639 178.191 176.600 -0.080 0.000 1.048 489 K CA 0.979 57.213 56.287 -0.089 0.000 0.948 489 K CB -0.348 32.123 32.500 -0.048 0.000 0.742 489 K HN 0.467 nan 8.250 nan 0.000 0.458 490 D N 0.093 120.463 120.400 -0.050 0.000 2.249 490 D HA -0.000 4.640 4.640 -0.000 0.000 0.205 490 D C 1.615 177.840 176.300 -0.126 0.000 0.962 490 D CA 0.622 54.643 54.000 0.035 0.000 0.860 490 D CB 0.352 41.294 40.800 0.236 0.000 0.955 490 D HN 0.100 nan 8.370 nan 0.000 0.505 491 A N 0.611 123.165 122.820 -0.443 0.000 1.903 491 A HA 0.108 4.427 4.320 -0.000 0.000 0.213 491 A C 1.250 178.482 177.584 -0.587 0.000 1.185 491 A CA 0.776 52.205 52.037 -1.013 0.000 0.628 491 A CB -0.025 18.200 19.000 -1.291 0.000 0.830 491 A HN 0.125 nan 8.150 nan 0.000 0.446 492 V N -4.553 115.143 119.914 -0.363 0.000 3.113 492 V HA 0.582 4.702 4.120 -0.000 0.000 0.316 492 V C -0.093 175.897 176.094 -0.173 0.000 1.125 492 V CA -0.945 61.203 62.300 -0.253 0.000 1.026 492 V CB 1.705 33.394 31.823 -0.224 0.000 1.080 492 V HN 0.154 nan 8.190 nan 0.000 0.444 493 K N 1.335 121.647 120.400 -0.148 0.000 2.455 493 K HA 0.470 4.790 4.320 -0.000 0.000 0.206 493 K C -0.093 176.433 176.600 -0.124 0.000 1.027 493 K CA -0.046 56.164 56.287 -0.128 0.000 1.113 493 K CB 0.376 32.804 32.500 -0.121 0.000 0.850 493 K HN 0.804 nan 8.250 nan 0.000 0.503 494 I N -2.038 118.463 120.570 -0.115 0.000 2.607 494 I HA 0.509 4.679 4.170 -0.000 0.000 0.305 494 I C -2.747 173.323 176.117 -0.078 0.000 0.995 494 I CA -3.307 57.935 61.300 -0.097 0.000 1.148 494 I CB 1.072 39.019 38.000 -0.089 0.000 1.323 494 I HN -0.263 nan 8.210 nan 0.000 0.461 495 P HA 0.080 nan 4.420 nan 0.000 0.265 495 P C -0.792 176.493 177.300 -0.025 0.000 1.193 495 P CA 0.019 63.105 63.100 -0.023 0.000 0.765 495 P CB 0.657 32.356 31.700 -0.003 0.000 0.823 496 V N 5.462 125.364 119.914 -0.020 0.000 2.448 496 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 496 V C 0.355 176.425 176.094 -0.039 0.000 1.025 496 V CA -0.543 61.731 62.300 -0.043 0.000 0.859 496 V CB 1.457 33.239 31.823 -0.069 0.000 0.988 496 V HN 0.377 nan 8.190 nan 0.000 0.431 497 I N 3.977 124.519 120.570 -0.048 0.000 2.331 497 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 497 I C 0.754 176.775 176.117 -0.160 0.000 0.998 497 I CA -0.343 60.918 61.300 -0.064 0.000 1.267 497 I CB 1.521 39.512 38.000 -0.015 0.000 1.386 497 I HN 0.687 nan 8.210 nan 0.000 0.476 498 A N 5.272 127.907 122.820 -0.309 0.000 2.404 498 A HA 0.521 4.841 4.320 -0.000 0.000 0.273 498 A C 0.040 177.302 177.584 -0.536 0.000 1.144 498 A CA 0.011 51.708 52.037 -0.567 0.000 0.806 498 A CB 0.497 18.889 19.000 -1.014 0.000 1.080 498 A HN 0.668 nan 8.150 nan 0.000 0.509 499 S N 1.836 117.398 115.700 -0.230 0.000 2.595 499 S HA 0.767 5.237 4.470 -0.000 0.000 0.281 499 S C -0.608 174.087 174.600 0.159 0.000 1.117 499 S CA 0.267 58.490 58.200 0.038 0.000 0.873 499 S CB 0.913 64.118 63.200 0.009 0.000 1.108 499 S HN 1.898 nan 8.310 nan 0.000 0.477 500 S N 0.837 116.620 115.700 0.139 0.000 2.913 500 S HA 0.209 4.679 4.470 -0.000 0.000 0.856 500 S C 0.661 175.198 174.600 -0.105 0.000 0.913 500 S CA 0.592 58.803 58.200 0.019 0.000 1.428 500 S CB -1.451 61.757 63.200 0.014 0.000 1.022 500 S HN 2.411 nan 8.310 nan 0.000 0.260 501 G N 0.565 109.215 108.800 -0.250 0.000 2.218 501 G HA2 0.181 4.141 3.960 -0.000 0.000 0.216 501 G HA3 0.181 4.141 3.960 -0.000 0.000 0.216 501 G C 0.290 174.785 174.900 -0.675 0.000 0.994 501 G CA 0.384 45.229 45.100 -0.426 0.000 0.637 501 G HN 2.247 nan 8.290 nan 0.000 0.505 502 A N 0.577 122.921 122.820 -0.792 0.000 2.524 502 A HA 0.625 4.945 4.320 -0.000 0.000 0.250 502 A C 1.465 178.879 177.584 -0.283 0.000 1.078 502 A CA 1.586 53.175 52.037 -0.748 0.000 0.761 502 A CB 0.528 19.086 19.000 -0.737 0.000 1.012 502 A HN 1.668 nan 8.150 nan 0.000 0.500 503 G N 1.135 109.960 108.800 0.041 0.000 2.597 503 G HA2 0.423 4.383 3.960 -0.000 0.000 0.196 503 G HA3 0.423 4.383 3.960 -0.000 0.000 0.196 503 G C 0.220 175.027 174.900 -0.155 0.000 1.176 503 G CA 0.780 45.885 45.100 0.008 0.000 0.747 503 G HN 1.711 nan 8.290 nan 0.000 0.821 504 V N -3.299 116.375 119.914 -0.401 0.000 3.078 504 V HA 0.618 4.737 4.120 -0.000 0.000 0.311 504 V C -2.289 173.414 176.094 -0.651 0.000 1.138 504 V CA -2.103 59.709 62.300 -0.813 0.000 1.007 504 V CB 1.811 33.184 31.823 -0.750 0.000 1.045 504 V HN -0.063 nan 8.190 nan 0.000 0.432 505 P HA -0.144 nan 4.420 nan 0.000 0.217 505 P C 1.229 178.249 177.300 -0.467 0.000 1.148 505 P CA 1.761 64.525 63.100 -0.560 0.000 0.834 505 P CB 0.240 31.491 31.700 -0.749 0.000 0.783 506 E N -1.928 117.827 120.200 -0.742 0.000 2.204 506 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 506 E C 1.807 178.335 176.600 -0.120 0.000 0.990 506 E CA 1.093 57.215 56.400 -0.463 0.000 0.821 506 E CB -0.832 28.604 29.700 -0.441 0.000 0.750 506 E HN 0.549 nan 8.360 nan 0.000 0.477 507 H N -1.454 117.531 119.070 -0.141 0.000 2.389 507 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 507 H C 1.403 176.665 175.328 -0.110 0.000 1.081 507 H CA 0.892 56.820 56.048 -0.200 0.000 1.345 507 H CB -0.037 29.448 29.762 -0.461 0.000 1.393 507 H HN 0.144 nan 8.280 nan 0.000 0.520 508 F N 0.938 120.932 119.950 0.074 0.000 2.146 508 F HA -0.148 4.378 4.527 -0.000 0.000 0.298 508 F C 2.623 178.484 175.800 0.101 0.000 1.096 508 F CA 1.328 59.373 58.000 0.076 0.000 1.275 508 F CB -0.318 38.781 39.000 0.165 0.000 1.008 508 F HN 0.207 nan 8.300 nan 0.000 0.480 509 E N 0.543 120.970 120.200 0.379 0.000 2.077 509 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 509 E C 2.211 178.942 176.600 0.219 0.000 0.989 509 E CA 1.468 58.071 56.400 0.338 0.000 0.800 509 E CB -0.201 29.682 29.700 0.305 0.000 0.746 509 E HN 0.553 nan 8.360 nan 0.000 0.452 510 E N -0.059 120.229 120.200 0.146 0.000 2.058 510 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 510 E C 1.961 178.594 176.600 0.056 0.000 0.997 510 E CA 1.207 57.666 56.400 0.100 0.000 0.801 510 E CB -0.194 29.561 29.700 0.092 0.000 0.746 510 E HN 0.342 nan 8.360 nan 0.000 0.450 511 A N 0.235 123.044 122.820 -0.017 0.000 1.902 511 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 511 A C 1.862 179.363 177.584 -0.138 0.000 1.181 511 A CA 1.321 53.255 52.037 -0.172 0.000 0.623 511 A CB -0.781 17.949 19.000 -0.451 0.000 0.818 511 A HN 0.351 nan 8.150 nan 0.000 0.443 512 F N -0.436 119.546 119.950 0.052 0.000 2.407 512 F HA 0.082 4.608 4.527 -0.000 0.000 0.299 512 F C 1.905 177.722 175.800 0.028 0.000 1.097 512 F CA 0.641 58.665 58.000 0.041 0.000 1.422 512 F CB -0.250 38.794 39.000 0.073 0.000 1.067 512 F HN 0.096 nan 8.300 nan 0.000 0.539 513 L N -1.098 120.246 121.223 0.202 0.000 2.388 513 L HA 0.040 4.379 4.340 -0.000 0.000 0.209 513 L C 1.917 178.835 176.870 0.080 0.000 1.061 513 L CA 0.612 55.528 54.840 0.126 0.000 0.834 513 L CB -0.248 41.883 42.059 0.120 0.000 1.029 513 L HN -0.095 nan 8.230 nan 0.000 0.473 514 K N -0.425 120.016 120.400 0.067 0.000 2.379 514 K HA 0.060 4.379 4.320 -0.000 0.000 0.194 514 K C 0.700 177.315 176.600 0.025 0.000 1.031 514 K CA 0.472 56.785 56.287 0.044 0.000 1.037 514 K CB 0.444 32.972 32.500 0.046 0.000 0.824 514 K HN 0.353 nan 8.250 nan 0.000 0.516 515 T N -2.745 111.820 114.554 0.019 0.000 2.864 515 T HA 0.349 4.699 4.350 -0.000 0.000 0.289 515 T C 0.172 174.885 174.700 0.021 0.000 1.082 515 T CA -0.967 61.132 62.100 -0.003 0.000 1.009 515 T CB 1.906 70.744 68.868 -0.049 0.000 1.234 515 T HN -0.096 nan 8.240 nan 0.000 0.526 516 R N 0.287 120.795 120.500 0.013 0.000 2.426 516 R HA 0.501 4.840 4.340 -0.000 0.000 0.263 516 R C 0.870 177.207 176.300 0.061 0.000 0.961 516 R CA -0.214 55.914 56.100 0.047 0.000 1.086 516 R CB -0.100 30.227 30.300 0.044 0.000 1.186 516 R HN 0.799 nan 8.270 nan 0.000 0.537 517 A N 1.282 124.112 122.820 0.016 0.000 2.584 517 A HA -0.096 4.224 4.320 -0.000 0.000 0.239 517 A C 0.405 178.072 177.584 0.138 0.000 1.043 517 A CA 0.336 52.364 52.037 -0.016 0.000 0.756 517 A CB 0.178 19.058 19.000 -0.199 0.000 0.963 517 A HN 0.277 nan 8.150 nan 0.000 0.511 518 D N 0.743 121.217 120.400 0.123 0.000 2.339 518 D HA 0.377 5.017 4.640 -0.000 0.000 0.217 518 D C 0.507 176.965 176.300 0.263 0.000 1.050 518 D CA 1.489 55.608 54.000 0.199 0.000 0.856 518 D CB 0.286 41.166 40.800 0.134 0.000 0.922 518 D HN 0.812 nan 8.370 nan 0.000 0.518 519 A N -0.488 122.484 122.820 0.254 0.000 2.549 519 A HA 0.473 4.793 4.320 -0.000 0.000 0.291 519 A C -1.689 175.934 177.584 0.065 0.000 1.034 519 A CA -0.647 51.574 52.037 0.306 0.000 0.655 519 A CB 0.966 20.097 19.000 0.218 0.000 1.299 519 A HN 0.150 nan 8.150 nan 0.000 0.427 520 C N 0.650 120.041 119.300 0.153 0.000 2.441 520 C HA 0.773 5.233 4.460 -0.000 0.000 0.318 520 C C -0.245 174.882 174.990 0.228 0.000 1.222 520 C CA -0.429 58.565 59.018 -0.039 0.000 1.474 520 C CB 0.692 28.376 27.740 -0.093 0.000 2.125 520 C HN 0.910 nan 8.230 nan 0.000 0.479 521 L N 3.087 124.392 121.223 0.138 0.000 2.334 521 L HA 0.957 5.297 4.340 -0.000 0.000 0.273 521 L C -0.013 177.026 176.870 0.282 0.000 1.013 521 L CA 0.170 55.148 54.840 0.230 0.000 0.816 521 L CB 1.728 43.859 42.059 0.119 0.000 1.278 521 L HN 0.832 nan 8.230 nan 0.000 0.431 522 G N 1.806 110.818 108.800 0.353 0.000 2.682 522 G HA2 0.649 4.609 3.960 -0.000 0.000 0.300 522 G HA3 0.649 4.609 3.960 -0.000 0.000 0.300 522 G C -0.715 174.300 174.900 0.192 0.000 1.391 522 G CA 0.168 45.379 45.100 0.186 0.000 0.990 522 G HN 0.942 nan 8.290 nan 0.000 0.501 523 A N 1.442 124.300 122.820 0.064 0.000 2.083 523 A HA 0.658 4.978 4.320 -0.000 0.000 0.210 523 A C 2.359 180.023 177.584 0.132 0.000 2.137 523 A CA 1.503 53.617 52.037 0.129 0.000 1.008 523 A CB -0.830 18.232 19.000 0.104 0.000 1.306 523 A HN 1.507 nan 8.150 nan 0.000 0.632 524 G N 1.280 110.123 108.800 0.071 0.000 2.574 524 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.220 524 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.220 524 G C 1.733 176.661 174.900 0.047 0.000 1.173 524 G CA 2.278 47.421 45.100 0.071 0.000 0.772 524 G HN 0.778 nan 8.290 nan 0.000 0.585 525 M N -1.430 118.120 119.600 -0.083 0.000 2.202 525 M HA 0.110 4.590 4.480 -0.000 0.000 0.262 525 M C 2.192 178.492 176.300 0.001 0.000 1.063 525 M CA 1.651 56.894 55.300 -0.095 0.000 1.097 525 M CB -0.548 31.915 32.600 -0.229 0.000 1.382 525 M HN 0.076 nan 8.290 nan 0.000 0.413 526 F N 0.075 120.114 119.950 0.148 0.000 2.293 526 F HA -0.004 4.523 4.527 -0.000 0.000 0.297 526 F C 2.611 178.615 175.800 0.340 0.000 1.089 526 F CA 1.140 59.224 58.000 0.140 0.000 1.377 526 F CB -1.327 37.568 39.000 -0.174 0.000 1.051 526 F HN 0.343 nan 8.300 nan 0.000 0.511 527 H N 0.607 119.901 119.070 0.373 0.000 2.495 527 H HA 0.101 4.657 4.556 -0.000 0.000 0.287 527 H C 1.795 177.231 175.328 0.179 0.000 1.033 527 H CA 1.170 57.401 56.048 0.305 0.000 1.307 527 H CB 0.023 29.924 29.762 0.232 0.000 1.401 527 H HN 0.099 nan 8.280 nan 0.000 0.555 528 R N -0.798 119.796 120.500 0.156 0.000 2.297 528 R HA 0.106 4.445 4.340 -0.000 0.000 0.197 528 R C 1.171 177.510 176.300 0.065 0.000 0.943 528 R CA 0.514 56.623 56.100 0.015 0.000 1.038 528 R CB 0.393 30.688 30.300 -0.009 0.000 0.957 528 R HN 0.468 nan 8.270 nan 0.000 0.484 529 G N 1.510 110.406 108.800 0.160 0.000 2.196 529 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.268 529 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.268 529 G C 0.706 175.626 174.900 0.033 0.000 0.975 529 G CA 0.845 46.019 45.100 0.124 0.000 0.648 529 G HN 0.441 nan 8.290 nan 0.000 0.538 530 E N -1.183 119.024 120.200 0.012 0.000 2.086 530 E HA -0.038 4.311 4.350 -0.000 0.000 0.200 530 E C 0.487 176.814 176.600 -0.454 0.000 1.012 530 E CA 1.313 57.607 56.400 -0.178 0.000 0.812 530 E CB -0.003 29.695 29.700 -0.003 0.000 0.743 530 E HN 0.609 nan 8.360 nan 0.000 0.453 531 F N -1.123 118.864 119.950 0.061 0.000 2.626 531 F HA 0.228 4.755 4.527 -0.000 0.000 0.311 531 F C 0.335 176.266 175.800 0.218 0.000 1.088 531 F CA -1.072 56.980 58.000 0.087 0.000 0.949 531 F CB 1.782 40.804 39.000 0.037 0.000 1.322 531 F HN -0.255 nan 8.300 nan 0.000 0.461 532 T N -2.280 112.494 114.554 0.367 0.000 2.937 532 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 532 T C 0.686 175.472 174.700 0.144 0.000 1.012 532 T CA -0.682 61.557 62.100 0.232 0.000 0.997 532 T CB 1.382 70.308 68.868 0.097 0.000 1.136 532 T HN 0.294 nan 8.240 nan 0.000 0.551 533 V N 1.468 121.243 119.914 -0.231 0.000 2.427 533 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 533 V C 2.658 178.653 176.094 -0.165 0.000 1.051 533 V CA 1.663 63.730 62.300 -0.389 0.000 1.048 533 V CB -1.002 30.481 31.823 -0.567 0.000 0.666 533 V HN 0.782 nan 8.190 nan 0.000 0.456 534 N N 0.268 118.903 118.700 -0.108 0.000 2.223 534 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 534 N C 1.549 177.054 175.510 -0.009 0.000 1.016 534 N CA 1.436 54.446 53.050 -0.068 0.000 0.863 534 N CB -0.349 38.103 38.487 -0.057 0.000 0.983 534 N HN 0.503 nan 8.380 nan 0.000 0.429 535 D N 0.427 120.857 120.400 0.050 0.000 2.117 535 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 535 D C 2.047 178.384 176.300 0.062 0.000 0.987 535 D CA 0.633 54.703 54.000 0.116 0.000 0.829 535 D CB -0.109 40.852 40.800 0.268 0.000 0.961 535 D HN 0.027 nan 8.370 nan 0.000 0.460 536 V N 1.317 121.210 119.914 -0.035 0.000 2.358 536 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 536 V C 2.385 178.440 176.094 -0.065 0.000 1.047 536 V CA 1.511 63.700 62.300 -0.185 0.000 1.035 536 V CB -0.321 31.195 31.823 -0.511 0.000 0.658 536 V HN 0.155 nan 8.190 nan 0.000 0.452 537 K N -0.461 119.897 120.400 -0.071 0.000 2.057 537 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 537 K C 2.231 178.832 176.600 0.001 0.000 1.049 537 K CA 1.267 57.526 56.287 -0.047 0.000 0.931 537 K CB -0.196 32.249 32.500 -0.092 0.000 0.714 537 K HN 0.394 nan 8.250 nan 0.000 0.440 538 E N 0.261 120.476 120.200 0.026 0.000 2.085 538 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 538 E C 1.873 178.527 176.600 0.090 0.000 0.994 538 E CA 1.232 57.660 56.400 0.046 0.000 0.801 538 E CB -0.330 29.407 29.700 0.062 0.000 0.743 538 E HN 0.378 nan 8.360 nan 0.000 0.453 539 Y N 1.283 121.592 120.300 0.015 0.000 2.163 539 Y HA -0.156 4.393 4.550 -0.000 0.000 0.288 539 Y C 2.271 178.222 175.900 0.085 0.000 1.136 539 Y CA 1.392 59.519 58.100 0.046 0.000 1.147 539 Y CB -0.315 38.116 38.460 -0.048 0.000 0.987 539 Y HN -0.070 nan 8.280 nan 0.000 0.509 540 L N -0.744 120.546 121.223 0.111 0.000 2.046 540 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 540 L C 2.378 179.249 176.870 0.001 0.000 1.077 540 L CA 1.046 55.921 54.840 0.057 0.000 0.747 540 L CB -0.720 41.400 42.059 0.102 0.000 0.896 540 L HN 0.306 nan 8.230 nan 0.000 0.432 541 L N 0.159 121.375 121.223 -0.011 0.000 2.083 541 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 541 L C 2.409 179.253 176.870 -0.044 0.000 1.083 541 L CA 1.725 56.544 54.840 -0.035 0.000 0.752 541 L CB -0.498 41.538 42.059 -0.038 0.000 0.899 541 L HN 0.240 nan 8.230 nan 0.000 0.433 542 E N -1.732 118.444 120.200 -0.039 0.000 2.268 542 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 542 E C 0.747 177.220 176.600 -0.210 0.000 0.995 542 E CA 0.694 57.037 56.400 -0.094 0.000 0.836 542 E CB 0.060 29.720 29.700 -0.066 0.000 0.763 542 E HN 0.639 nan 8.360 nan 0.000 0.491 543 H N -1.696 117.225 119.070 -0.248 0.000 2.505 543 H HA 0.292 4.848 4.556 -0.000 0.000 0.289 543 H C 0.753 176.012 175.328 -0.116 0.000 1.052 543 H CA 0.534 56.458 56.048 -0.207 0.000 1.156 543 H CB 1.084 30.675 29.762 -0.284 0.000 1.507 543 H HN 0.274 nan 8.280 nan 0.000 0.548 544 G N 0.303 109.081 108.800 -0.037 0.000 2.159 544 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.256 544 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.256 544 G C 0.089 174.966 174.900 -0.039 0.000 0.977 544 G CA 0.079 45.155 45.100 -0.040 0.000 0.652 544 G HN 0.307 nan 8.290 nan 0.000 0.531 545 L N 0.337 121.539 121.223 -0.035 0.000 2.399 545 L HA 0.512 4.852 4.340 -0.000 0.000 0.266 545 L C 0.466 177.277 176.870 -0.098 0.000 1.114 545 L CA -0.940 53.858 54.840 -0.071 0.000 0.804 545 L CB 0.835 42.854 42.059 -0.066 0.000 1.146 545 L HN -0.128 nan 8.230 nan 0.000 0.451 546 K N 2.698 123.019 120.400 -0.132 0.000 2.227 546 K HA 0.529 4.848 4.320 -0.000 0.000 0.280 546 K C -0.630 175.879 176.600 -0.152 0.000 1.041 546 K CA -0.325 55.883 56.287 -0.133 0.000 0.905 546 K CB 1.785 34.201 32.500 -0.139 0.000 1.068 546 K HN 0.454 nan 8.250 nan 0.000 0.470 547 V N -0.422 119.410 119.914 -0.136 0.000 3.007 547 V HA 0.522 4.642 4.120 -0.000 0.000 0.311 547 V C -0.190 175.797 176.094 -0.178 0.000 1.120 547 V CA -1.444 60.763 62.300 -0.154 0.000 0.980 547 V CB 2.064 33.807 31.823 -0.133 0.000 1.033 547 V HN 0.775 nan 8.190 nan 0.000 0.429 548 R N 3.229 123.574 120.500 -0.258 0.000 2.442 548 R HA 0.542 4.881 4.340 -0.000 0.000 0.291 548 R C -1.017 175.113 176.300 -0.282 0.000 1.069 548 R CA -0.225 55.667 56.100 -0.347 0.000 1.022 548 R CB 0.602 30.481 30.300 -0.702 0.000 0.976 548 R HN 0.787 nan 8.270 nan 0.000 0.443 549 M N 4.252 123.720 119.600 -0.220 0.000 2.060 549 M HA 0.248 4.728 4.480 -0.000 0.000 0.275 549 M C -1.393 174.824 176.300 -0.138 0.000 0.919 549 M CA -0.851 54.351 55.300 -0.163 0.000 0.970 549 M CB 1.132 33.665 32.600 -0.112 0.000 1.670 549 M HN 0.621 nan 8.290 nan 0.000 0.440 550 D N 0.000 120.310 120.400 -0.150 0.000 6.856 550 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 550 D CA 0.000 53.940 54.000 -0.101 0.000 0.868 550 D CB 0.000 40.733 40.800 -0.112 0.000 0.688 550 D HN 0.000 nan 8.370 nan 0.000 0.683