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 2va8_1_A DATA FIRST_RESID -1 DATA SEQUENCE EWMPIEDLKL PSNVIEIIKK RGIKKLNPPQ TEAVKKGLLE GNRLLLTSPT DATA SEQUENCE GSGKTLIAEM GIISFLLKNG GKAIYVTPLR ALTNEKYLTF KDWELIGFKV DATA SEQUENCE AMTSGDYDTD DAWLKNYDII ITTYEKLDSL WRHRPEWLNE VNYFVLDELH DATA SEQUENCE YLNDPERGPV VESVTIRAKR RNLLALSATI SNYKQIAKWL GAEPVATNWR DATA SEQUENCE PVPLIEGVIY PERKKKEYNV IFKDNTTKKV HGDDAIIAYT LDSLSKNGQV DATA SEQUENCE LVFRNSRKMA ESTALKIANY MNFVSLDENA LSEILKQLDD IEEGGSDEKE DATA SEQUENCE LLKSLISKGV AYHHAGLSKA LRDLIEEGFR QRKIKVIVAT PTLAAGVNLP DATA SEQUENCE ARTVIIGDIX XXXXXXXXXX XXXPIMEYKQ MSGRAGRPGF DQIGESIVVV DATA SEQUENCE RDKEDVDRVF KKYVLSDVEP IESKLGSERA FYTFLLGILS AEGNLSEKQL DATA SEQUENCE ENFAYESLLA KQLVDVYFDR AIRWLLEHSF IKEEGNTFAL TNFGKRVADL DATA SEQUENCE YINPFTADII RKGLEGHKAS cELAYLHLLA FTPDGPLVSV GRNEEEELIE DATA SEQUENCE LLEDLDcELL IEEPYEEDEY SLYINALKVA LIMKDWMDEV DEDTILSKYN DATA SEQUENCE IGSGDLRNMV ETMDWLTYSA YHLSRELKLN EHADKLRILN LRVRDGIKEE DATA SEQUENCE LLELVQISGV GRKRARLLYN NGIKELGDVV MNPDKVKNLL GQKLGEKVVQ DATA SEQUENCE EAARLLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.535 176.600 -0.108 0.000 1.382 -1 E CA 0.000 56.415 56.400 0.025 0.000 0.976 -1 E CB 0.000 29.711 29.700 0.018 0.000 0.812 0 W N 2.941 124.188 121.300 -0.087 0.000 2.485 0 W HA 0.482 5.140 4.660 -0.004 0.000 0.297 0 W C -0.315 176.172 176.519 -0.054 0.000 0.999 0 W CA -0.551 56.741 57.345 -0.088 0.000 1.512 0 W CB 0.944 30.362 29.460 -0.069 0.000 1.322 0 W HN 0.386 nan 8.180 nan 0.000 0.419 1 M N 5.662 125.312 119.600 0.083 0.000 2.238 1 M HA 0.228 4.705 4.480 -0.004 0.000 0.350 1 M C -2.043 174.304 176.300 0.078 0.000 1.321 1 M CA -1.135 54.201 55.300 0.060 0.000 1.097 1 M CB 0.956 33.563 32.600 0.012 0.000 1.713 1 M HN -0.013 nan 8.290 nan 0.000 0.455 2 P HA 0.025 nan 4.420 nan 0.000 0.271 2 P C 0.165 177.494 177.300 0.047 0.000 1.216 2 P CA -0.097 63.039 63.100 0.059 0.000 0.771 2 P CB 0.228 31.955 31.700 0.045 0.000 0.864 3 I N 1.506 122.105 120.570 0.049 0.000 2.928 3 I HA -0.101 4.067 4.170 -0.004 0.000 0.266 3 I C 1.560 177.701 176.117 0.040 0.000 1.234 3 I CA 1.042 62.369 61.300 0.045 0.000 1.483 3 I CB -1.312 36.719 38.000 0.052 0.000 1.097 3 I HN 0.308 nan 8.210 nan 0.000 0.455 4 E N 0.900 121.121 120.200 0.035 0.000 2.347 4 E HA -0.202 4.145 4.350 -0.004 0.000 0.196 4 E C 0.519 177.134 176.600 0.026 0.000 1.008 4 E CA 1.004 57.422 56.400 0.029 0.000 0.852 4 E CB -0.495 29.220 29.700 0.024 0.000 0.783 4 E HN 0.509 nan 8.360 nan 0.000 0.505 5 D N 0.991 121.408 120.400 0.027 0.000 2.355 5 D HA 0.118 4.755 4.640 -0.004 0.000 0.218 5 D C 0.479 176.792 176.300 0.022 0.000 1.004 5 D CA 0.140 54.154 54.000 0.023 0.000 0.880 5 D CB 0.079 40.893 40.800 0.023 0.000 0.911 5 D HN 0.192 nan 8.370 nan 0.000 0.528 6 L N 1.200 122.438 121.223 0.026 0.000 2.410 6 L HA 0.060 4.397 4.340 -0.004 0.000 0.273 6 L C 1.190 178.073 176.870 0.022 0.000 1.144 6 L CA 0.023 54.879 54.840 0.025 0.000 0.863 6 L CB 0.755 42.835 42.059 0.034 0.000 1.140 6 L HN -0.329 nan 8.230 nan 0.000 0.463 7 K N 5.489 125.899 120.400 0.016 0.000 2.715 7 K HA 0.293 4.611 4.320 -0.004 0.000 0.248 7 K C -0.911 175.695 176.600 0.010 0.000 1.276 7 K CA 0.069 56.363 56.287 0.011 0.000 1.209 7 K CB -0.266 32.238 32.500 0.007 0.000 1.509 7 K HN 0.457 nan 8.250 nan 0.000 0.261 8 L N 1.195 122.429 121.223 0.019 0.000 2.359 8 L HA 0.494 4.832 4.340 -0.004 0.000 0.256 8 L C -2.236 174.652 176.870 0.031 0.000 1.026 8 L CA -2.527 52.327 54.840 0.023 0.000 0.828 8 L CB 1.835 43.914 42.059 0.033 0.000 1.406 8 L HN 0.207 nan 8.230 nan 0.000 0.413 9 P HA 0.139 nan 4.420 nan 0.000 0.268 9 P C 0.136 177.465 177.300 0.049 0.000 1.208 9 P CA -0.099 63.022 63.100 0.035 0.000 0.777 9 P CB 0.689 32.411 31.700 0.036 0.000 0.875 10 S N 0.748 116.470 115.700 0.036 0.000 2.368 10 S HA -0.133 4.335 4.470 -0.004 0.000 0.225 10 S C 1.477 176.104 174.600 0.045 0.000 1.030 10 S CA 1.234 59.456 58.200 0.036 0.000 0.999 10 S CB -0.613 62.599 63.200 0.021 0.000 0.844 10 S HN 0.531 nan 8.310 nan 0.000 0.459 11 N N 1.108 119.835 118.700 0.046 0.000 2.453 11 N HA 0.013 4.750 4.740 -0.004 0.000 0.183 11 N C 1.549 177.119 175.510 0.099 0.000 1.041 11 N CA 0.436 53.515 53.050 0.048 0.000 0.900 11 N CB -0.344 38.161 38.487 0.030 0.000 0.961 11 N HN 0.209 nan 8.380 nan 0.000 0.443 12 V N 1.508 121.516 119.914 0.156 0.000 2.283 12 V HA -0.117 4.000 4.120 -0.004 0.000 0.243 12 V C 2.284 178.528 176.094 0.250 0.000 1.039 12 V CA 1.012 63.496 62.300 0.307 0.000 1.016 12 V CB -0.304 31.674 31.823 0.258 0.000 0.650 12 V HN 0.163 nan 8.190 nan 0.000 0.449 13 I N -0.156 120.503 120.570 0.147 0.000 2.194 13 I HA -0.250 3.918 4.170 -0.004 0.000 0.246 13 I C 2.679 178.836 176.117 0.067 0.000 1.093 13 I CA 1.450 62.812 61.300 0.104 0.000 1.355 13 I CB -0.413 37.627 38.000 0.067 0.000 1.046 13 I HN 0.367 nan 8.210 nan 0.000 0.413 14 E N 0.753 120.979 120.200 0.043 0.000 2.058 14 E HA -0.217 4.130 4.350 -0.004 0.000 0.194 14 E C 2.292 178.868 176.600 -0.040 0.000 0.997 14 E CA 1.438 57.840 56.400 0.003 0.000 0.801 14 E CB -0.309 29.389 29.700 -0.004 0.000 0.746 14 E HN 0.551 nan 8.360 nan 0.000 0.450 15 I N 0.934 121.459 120.570 -0.074 0.000 2.335 15 I HA -0.266 3.901 4.170 -0.004 0.000 0.251 15 I C 2.409 178.379 176.117 -0.244 0.000 1.129 15 I CA 0.853 62.005 61.300 -0.247 0.000 1.402 15 I CB -0.212 37.479 38.000 -0.515 0.000 1.069 15 I HN 0.056 nan 8.210 nan 0.000 0.424 16 I N 0.404 120.930 120.570 -0.074 0.000 2.252 16 I HA -0.284 3.884 4.170 -0.004 0.000 0.245 16 I C 2.515 178.620 176.117 -0.020 0.000 1.102 16 I CA 1.372 62.670 61.300 -0.003 0.000 1.385 16 I CB -0.308 37.759 38.000 0.111 0.000 1.064 16 I HN 0.139 nan 8.210 nan 0.000 0.414 17 K N 1.029 121.421 120.400 -0.012 0.000 2.288 17 K HA -0.106 4.211 4.320 -0.004 0.000 0.201 17 K C 1.953 178.536 176.600 -0.027 0.000 1.048 17 K CA 0.817 57.099 56.287 -0.007 0.000 0.956 17 K CB 0.145 32.647 32.500 0.003 0.000 0.746 17 K HN 0.168 nan 8.250 nan 0.000 0.461 18 K N 0.168 120.534 120.400 -0.057 0.000 2.362 18 K HA -0.086 4.232 4.320 -0.004 0.000 0.200 18 K C 1.383 177.945 176.600 -0.063 0.000 1.046 18 K CA 0.842 57.089 56.287 -0.066 0.000 0.952 18 K CB 0.119 32.560 32.500 -0.098 0.000 0.753 18 K HN 0.108 nan 8.250 nan 0.000 0.466 19 R N -0.306 120.156 120.500 -0.062 0.000 2.320 19 R HA 0.040 4.378 4.340 -0.004 0.000 0.211 19 R C 0.700 176.990 176.300 -0.017 0.000 0.931 19 R CA 0.460 56.530 56.100 -0.050 0.000 1.071 19 R CB 0.382 30.646 30.300 -0.059 0.000 1.025 19 R HN 0.236 nan 8.270 nan 0.000 0.495 20 G N 1.674 110.468 108.800 -0.009 0.000 2.182 20 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.248 20 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.248 20 G C -0.036 174.880 174.900 0.027 0.000 1.042 20 G CA -0.284 44.821 45.100 0.008 0.000 0.775 20 G HN 0.263 nan 8.290 nan 0.000 0.501 21 I N -0.046 120.542 120.570 0.029 0.000 2.339 21 I HA 0.331 4.498 4.170 -0.004 0.000 0.290 21 I C 1.251 177.398 176.117 0.050 0.000 0.994 21 I CA -0.954 60.378 61.300 0.052 0.000 1.191 21 I CB 1.502 39.534 38.000 0.054 0.000 1.343 21 I HN -0.108 nan 8.210 nan 0.000 0.458 22 K N 4.679 125.117 120.400 0.063 0.000 2.202 22 K HA 0.207 4.525 4.320 -0.004 0.000 0.201 22 K C 0.118 176.764 176.600 0.076 0.000 1.051 22 K CA 0.853 57.173 56.287 0.056 0.000 0.977 22 K CB 0.381 32.906 32.500 0.043 0.000 0.792 22 K HN 0.519 nan 8.250 nan 0.000 0.469 23 K N 0.345 120.815 120.400 0.117 0.000 2.482 23 K HA 0.421 4.739 4.320 -0.004 0.000 0.257 23 K C -0.682 176.007 176.600 0.148 0.000 0.969 23 K CA -0.657 55.721 56.287 0.151 0.000 0.842 23 K CB 2.185 34.828 32.500 0.238 0.000 1.359 23 K HN -0.168 nan 8.250 nan 0.000 0.441 24 L N 2.057 123.330 121.223 0.082 0.000 2.371 24 L HA 0.213 4.551 4.340 -0.004 0.000 0.272 24 L C 0.414 177.156 176.870 -0.212 0.000 1.124 24 L CA -0.795 54.025 54.840 -0.034 0.000 0.816 24 L CB 0.304 42.322 42.059 -0.070 0.000 1.129 24 L HN 0.546 nan 8.230 nan 0.000 0.448 25 N N 3.063 121.514 118.700 -0.414 0.000 2.273 25 N HA -0.034 4.703 4.740 -0.004 0.000 0.227 25 N C -1.631 173.199 175.510 -1.134 0.000 1.292 25 N CA -1.051 51.390 53.050 -1.014 0.000 0.875 25 N CB 0.190 38.255 38.487 -0.704 0.000 1.105 25 N HN 0.321 nan 8.380 nan 0.000 0.434 26 P HA -0.097 nan 4.420 nan 0.000 0.215 26 P C -1.333 175.599 177.300 -0.613 0.000 1.153 26 P CA 1.833 64.287 63.100 -1.077 0.000 0.853 26 P CB -0.494 30.447 31.700 -1.265 0.000 0.788 27 P HA -0.076 nan 4.420 nan 0.000 0.224 27 P C 1.483 178.676 177.300 -0.179 0.000 1.157 27 P CA 1.378 64.335 63.100 -0.240 0.000 0.799 27 P CB -0.253 31.386 31.700 -0.101 0.000 0.809 28 Q N -0.429 119.240 119.800 -0.218 0.000 2.079 28 Q HA -0.077 4.261 4.340 -0.004 0.000 0.200 28 Q C 2.186 178.108 176.000 -0.129 0.000 0.974 28 Q CA 1.893 57.616 55.803 -0.135 0.000 0.840 28 Q CB -0.903 27.757 28.738 -0.130 0.000 0.898 28 Q HN 0.224 nan 8.270 nan 0.000 0.430 29 T N 1.060 115.493 114.554 -0.201 0.000 2.674 29 T HA -0.163 4.184 4.350 -0.004 0.000 0.265 29 T C 1.627 176.260 174.700 -0.112 0.000 1.039 29 T CA 1.080 63.088 62.100 -0.153 0.000 1.150 29 T CB -0.187 68.557 68.868 -0.207 0.000 0.864 29 T HN 0.200 nan 8.240 nan 0.000 0.427 30 E N 1.122 121.240 120.200 -0.137 0.000 2.070 30 E HA -0.171 4.177 4.350 -0.004 0.000 0.197 30 E C 2.533 179.107 176.600 -0.045 0.000 1.004 30 E CA 1.486 57.835 56.400 -0.086 0.000 0.805 30 E CB -0.540 29.102 29.700 -0.096 0.000 0.744 30 E HN 0.471 nan 8.360 nan 0.000 0.451 31 A N 0.628 123.423 122.820 -0.040 0.000 1.892 31 A HA -0.191 4.127 4.320 -0.004 0.000 0.218 31 A C 2.643 180.231 177.584 0.006 0.000 1.188 31 A CA 1.976 54.011 52.037 -0.004 0.000 0.631 31 A CB -0.864 18.140 19.000 0.007 0.000 0.822 31 A HN 0.178 nan 8.150 nan 0.000 0.447 32 V N 0.283 120.193 119.914 -0.007 0.000 2.332 32 V HA -0.295 3.823 4.120 -0.004 0.000 0.248 32 V C 2.467 178.563 176.094 0.004 0.000 1.055 32 V CA 2.353 64.654 62.300 0.002 0.000 1.038 32 V CB -0.699 31.120 31.823 -0.006 0.000 0.651 32 V HN 0.528 nan 8.190 nan 0.000 0.450 33 K N -0.012 120.384 120.400 -0.006 0.000 2.097 33 K HA -0.142 4.175 4.320 -0.004 0.000 0.206 33 K C 1.758 178.364 176.600 0.010 0.000 1.049 33 K CA 0.891 57.178 56.287 -0.001 0.000 0.933 33 K CB -0.148 32.345 32.500 -0.011 0.000 0.717 33 K HN 0.325 nan 8.250 nan 0.000 0.442 34 K N -0.152 120.256 120.400 0.013 0.000 2.522 34 K HA 0.042 4.360 4.320 -0.004 0.000 0.194 34 K C 0.669 177.291 176.600 0.037 0.000 1.026 34 K CA 0.516 56.819 56.287 0.025 0.000 1.119 34 K CB 0.490 33.006 32.500 0.027 0.000 0.856 34 K HN 0.397 nan 8.250 nan 0.000 0.513 35 G N 2.037 110.858 108.800 0.035 0.000 2.171 35 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.238 35 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.238 35 G C 0.662 175.601 174.900 0.065 0.000 1.039 35 G CA 0.314 45.441 45.100 0.045 0.000 0.759 35 G HN 0.348 nan 8.290 nan 0.000 0.501 36 L N -0.481 120.779 121.223 0.063 0.000 2.021 36 L HA -0.037 4.301 4.340 -0.004 0.000 0.215 36 L C 2.541 179.463 176.870 0.086 0.000 1.074 36 L CA 2.827 57.719 54.840 0.087 0.000 0.760 36 L CB -0.297 41.803 42.059 0.069 0.000 0.889 36 L HN 0.329 nan 8.230 nan 0.000 0.433 37 L N -0.319 120.934 121.223 0.050 0.000 2.291 37 L HA -0.066 4.272 4.340 -0.004 0.000 0.214 37 L C 2.355 179.242 176.870 0.028 0.000 1.120 37 L CA 1.171 56.026 54.840 0.025 0.000 0.799 37 L CB -0.890 41.174 42.059 0.010 0.000 0.925 37 L HN 0.361 nan 8.230 nan 0.000 0.446 38 E N -0.500 119.728 120.200 0.048 0.000 2.435 38 E HA 0.130 4.478 4.350 -0.004 0.000 0.195 38 E C 1.584 178.247 176.600 0.105 0.000 1.029 38 E CA 0.772 57.203 56.400 0.051 0.000 0.865 38 E CB -0.156 29.571 29.700 0.046 0.000 0.833 38 E HN 0.355 nan 8.360 nan 0.000 0.510 39 G N 2.142 111.035 108.800 0.154 0.000 2.132 39 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.228 39 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.228 39 G C 0.127 175.163 174.900 0.227 0.000 1.000 39 G CA 0.127 45.391 45.100 0.273 0.000 0.693 39 G HN 0.253 nan 8.290 nan 0.000 0.515 40 N N 0.317 119.107 118.700 0.149 0.000 2.454 40 N HA 0.167 4.905 4.740 -0.004 0.000 0.254 40 N C 0.700 176.274 175.510 0.106 0.000 1.228 40 N CA -0.147 52.969 53.050 0.110 0.000 0.900 40 N CB 0.306 38.840 38.487 0.079 0.000 1.089 40 N HN 0.495 nan 8.380 nan 0.000 0.449 41 R N 3.424 123.968 120.500 0.072 0.000 2.296 41 R HA 0.241 4.579 4.340 -0.004 0.000 0.323 41 R C -0.724 175.602 176.300 0.042 0.000 1.067 41 R CA -0.078 56.046 56.100 0.040 0.000 0.946 41 R CB 0.003 30.308 30.300 0.009 0.000 0.991 41 R HN 0.501 nan 8.270 nan 0.000 0.448 42 L N 5.096 126.346 121.223 0.045 0.000 2.381 42 L HA 0.449 4.787 4.340 -0.004 0.000 0.268 42 L C -1.005 175.899 176.870 0.056 0.000 0.997 42 L CA -1.271 53.602 54.840 0.055 0.000 0.818 42 L CB 1.900 43.997 42.059 0.063 0.000 1.310 42 L HN 0.466 nan 8.230 nan 0.000 0.416 43 L N 4.505 125.771 121.223 0.073 0.000 2.277 43 L HA 0.511 4.849 4.340 -0.004 0.000 0.284 43 L C -1.031 175.885 176.870 0.077 0.000 1.028 43 L CA 0.021 54.914 54.840 0.088 0.000 0.835 43 L CB 0.730 42.862 42.059 0.122 0.000 1.215 43 L HN 0.408 nan 8.230 nan 0.000 0.425 44 L N 4.969 126.234 121.223 0.070 0.000 2.280 44 L HA 0.586 4.923 4.340 -0.004 0.000 0.287 44 L C 0.215 177.116 176.870 0.053 0.000 1.023 44 L CA -0.545 54.325 54.840 0.050 0.000 0.819 44 L CB 1.477 43.570 42.059 0.057 0.000 1.212 44 L HN 0.660 nan 8.230 nan 0.000 0.420 45 T N -0.100 114.461 114.554 0.012 0.000 2.829 45 T HA 0.828 5.176 4.350 -0.004 0.000 0.280 45 T C -0.223 174.476 174.700 -0.002 0.000 0.999 45 T CA -0.572 61.532 62.100 0.007 0.000 0.983 45 T CB 1.963 70.809 68.868 -0.035 0.000 0.968 45 T HN 0.722 nan 8.240 nan 0.000 0.446 46 S N 1.778 117.491 115.700 0.022 0.000 2.627 46 S HA 0.667 5.135 4.470 -0.004 0.000 0.268 46 S C -3.338 171.280 174.600 0.030 0.000 1.130 46 S CA -1.223 56.999 58.200 0.037 0.000 0.819 46 S CB 0.457 63.705 63.200 0.080 0.000 1.100 46 S HN 0.588 nan 8.310 nan 0.000 0.465 47 P HA 0.184 nan 4.420 nan 0.000 0.280 47 P C 1.441 178.758 177.300 0.029 0.000 1.278 47 P CA 0.326 63.427 63.100 0.001 0.000 0.787 47 P CB 0.068 31.753 31.700 -0.026 0.000 1.163 48 T N -3.337 111.227 114.554 0.016 0.000 2.668 48 T HA -0.057 4.291 4.350 -0.004 0.000 0.262 48 T C 1.485 176.224 174.700 0.065 0.000 1.045 48 T CA 1.314 63.440 62.100 0.043 0.000 1.152 48 T CB -1.484 67.403 68.868 0.032 0.000 0.864 48 T HN 0.470 nan 8.240 nan 0.000 0.419 49 G N 0.545 109.377 108.800 0.052 0.000 3.882 49 G HA2 0.421 4.379 3.960 -0.004 0.000 0.283 49 G HA3 0.421 4.379 3.960 -0.004 0.000 0.283 49 G C 0.588 175.552 174.900 0.108 0.000 1.283 49 G CA -0.383 44.760 45.100 0.072 0.000 1.402 49 G HN 0.477 nan 8.290 nan 0.000 0.618 50 S N 0.007 115.790 115.700 0.138 0.000 2.577 50 S HA 0.323 4.791 4.470 -0.004 0.000 0.219 50 S C 1.695 176.412 174.600 0.195 0.000 0.962 50 S CA 0.288 58.631 58.200 0.239 0.000 0.921 50 S CB 0.313 63.654 63.200 0.235 0.000 0.789 50 S HN 1.219 nan 8.310 nan 0.000 0.497 51 G N 2.403 111.288 108.800 0.140 0.000 2.256 51 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.272 51 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.272 51 G C 0.497 175.448 174.900 0.084 0.000 1.076 51 G CA 0.437 45.597 45.100 0.100 0.000 0.882 51 G HN 0.513 nan 8.290 nan 0.000 0.497 52 K N -0.605 119.857 120.400 0.104 0.000 2.365 52 K HA 0.033 4.351 4.320 -0.004 0.000 0.199 52 K C 2.536 179.213 176.600 0.128 0.000 1.045 52 K CA 1.416 57.772 56.287 0.116 0.000 0.962 52 K CB -0.082 32.503 32.500 0.143 0.000 0.759 52 K HN 0.396 nan 8.250 nan 0.000 0.469 53 T N 1.747 116.362 114.554 0.102 0.000 2.708 53 T HA -0.132 4.215 4.350 -0.004 0.000 0.266 53 T C 1.656 176.356 174.700 0.000 0.000 1.037 53 T CA 0.962 63.095 62.100 0.055 0.000 1.146 53 T CB -0.206 68.657 68.868 -0.008 0.000 0.865 53 T HN 0.082 nan 8.240 nan 0.000 0.435 54 L N 1.105 122.334 121.223 0.011 0.000 2.083 54 L HA 0.033 4.371 4.340 -0.004 0.000 0.209 54 L C 2.129 179.023 176.870 0.041 0.000 1.083 54 L CA 1.396 56.245 54.840 0.016 0.000 0.752 54 L CB -0.703 41.374 42.059 0.031 0.000 0.899 54 L HN 0.280 nan 8.230 nan 0.000 0.433 55 I N -0.593 120.013 120.570 0.061 0.000 2.208 55 I HA -0.324 3.844 4.170 -0.004 0.000 0.245 55 I C 2.566 178.759 176.117 0.126 0.000 1.097 55 I CA 1.253 62.601 61.300 0.079 0.000 1.363 55 I CB -0.665 37.384 38.000 0.081 0.000 1.051 55 I HN 0.362 nan 8.210 nan 0.000 0.413 56 A N 0.491 123.416 122.820 0.176 0.000 1.902 56 A HA -0.213 4.104 4.320 -0.004 0.000 0.217 56 A C 2.208 179.959 177.584 0.279 0.000 1.181 56 A CA 1.642 53.854 52.037 0.292 0.000 0.623 56 A CB -0.574 18.695 19.000 0.449 0.000 0.818 56 A HN 0.446 nan 8.150 nan 0.000 0.443 57 E N -0.477 119.791 120.200 0.112 0.000 2.051 57 E HA -0.198 4.150 4.350 -0.004 0.000 0.192 57 E C 2.126 178.664 176.600 -0.103 0.000 0.991 57 E CA 1.524 57.894 56.400 -0.051 0.000 0.799 57 E CB -0.326 29.260 29.700 -0.190 0.000 0.748 57 E HN 0.638 nan 8.360 nan 0.000 0.449 58 M N 0.355 119.933 119.600 -0.036 0.000 2.108 58 M HA -0.114 4.364 4.480 -0.004 0.000 0.261 58 M C 2.484 178.758 176.300 -0.044 0.000 1.066 58 M CA 1.602 56.870 55.300 -0.053 0.000 1.107 58 M CB -0.551 32.053 32.600 0.007 0.000 1.356 58 M HN 0.225 nan 8.290 nan 0.000 0.406 59 G N 0.641 109.471 108.800 0.050 0.000 2.433 59 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.216 59 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.216 59 G C 1.476 176.290 174.900 -0.144 0.000 1.186 59 G CA 0.679 45.833 45.100 0.090 0.000 0.779 59 G HN 0.366 nan 8.290 nan 0.000 0.543 60 I N 0.689 121.247 120.570 -0.020 0.000 2.142 60 I HA -0.139 4.028 4.170 -0.004 0.000 0.240 60 I C 2.645 178.582 176.117 -0.299 0.000 1.078 60 I CA 0.648 61.856 61.300 -0.153 0.000 1.343 60 I CB -0.125 37.903 38.000 0.046 0.000 1.046 60 I HN 0.078 nan 8.210 nan 0.000 0.405 61 I N 0.009 120.381 120.570 -0.331 0.000 2.179 61 I HA -0.298 3.870 4.170 -0.004 0.000 0.242 61 I C 2.776 178.749 176.117 -0.240 0.000 1.088 61 I CA 1.518 62.578 61.300 -0.399 0.000 1.357 61 I CB -1.372 36.234 38.000 -0.657 0.000 1.051 61 I HN 0.228 nan 8.210 nan 0.000 0.409 62 S N 0.491 116.071 115.700 -0.200 0.000 2.374 62 S HA -0.244 4.224 4.470 -0.004 0.000 0.227 62 S C 2.101 176.598 174.600 -0.171 0.000 1.037 62 S CA 1.478 59.595 58.200 -0.139 0.000 1.024 62 S CB -0.462 62.682 63.200 -0.094 0.000 0.861 62 S HN 0.368 nan 8.310 nan 0.000 0.456 63 F N 1.727 121.427 119.950 -0.416 0.000 2.113 63 F HA 0.050 4.575 4.527 -0.003 0.000 0.297 63 F C 1.905 177.525 175.800 -0.299 0.000 1.103 63 F CA 1.409 59.135 58.000 -0.457 0.000 1.248 63 F CB -0.297 38.139 39.000 -0.941 0.000 0.999 63 F HN 0.177 nan 8.300 nan 0.000 0.475 64 L N -0.370 120.738 121.223 -0.192 0.000 2.046 64 L HA -0.242 4.096 4.340 -0.004 0.000 0.208 64 L C 2.432 179.253 176.870 -0.081 0.000 1.077 64 L CA 1.105 55.823 54.840 -0.203 0.000 0.747 64 L CB -0.774 40.964 42.059 -0.535 0.000 0.896 64 L HN 0.221 nan 8.230 nan 0.000 0.432 65 L N -0.356 120.847 121.223 -0.032 0.000 2.083 65 L HA -0.215 4.123 4.340 -0.004 0.000 0.209 65 L C 2.414 179.241 176.870 -0.073 0.000 1.083 65 L CA 1.443 56.304 54.840 0.036 0.000 0.752 65 L CB -0.336 41.745 42.059 0.037 0.000 0.899 65 L HN 0.227 nan 8.230 nan 0.000 0.433 66 K N -0.849 119.439 120.400 -0.187 0.000 2.361 66 K HA 0.086 4.404 4.320 -0.004 0.000 0.196 66 K C 0.223 176.649 176.600 -0.290 0.000 1.039 66 K CA 0.237 56.392 56.287 -0.221 0.000 1.001 66 K CB 0.254 32.609 32.500 -0.243 0.000 0.795 66 K HN 0.340 nan 8.250 nan 0.000 0.495 67 N N -0.565 117.898 118.700 -0.396 0.000 2.509 67 N HA 0.203 4.941 4.740 -0.004 0.000 0.280 67 N C -0.102 175.298 175.510 -0.183 0.000 1.306 67 N CA -0.506 52.316 53.050 -0.379 0.000 0.782 67 N CB 1.570 39.585 38.487 -0.787 0.000 1.493 67 N HN -0.006 nan 8.380 nan 0.000 0.498 68 G N -0.887 107.860 108.800 -0.088 0.000 2.468 68 G HA2 0.436 4.393 3.960 -0.004 0.000 0.264 68 G HA3 0.436 4.393 3.960 -0.004 0.000 0.264 68 G C 0.556 175.476 174.900 0.033 0.000 1.460 68 G CA 0.564 45.660 45.100 -0.006 0.000 1.060 68 G HN 0.825 nan 8.290 nan 0.000 0.543 69 G N -1.236 107.599 108.800 0.059 0.000 2.553 69 G HA2 -0.144 3.814 3.960 -0.004 0.000 0.242 69 G HA3 -0.144 3.814 3.960 -0.004 0.000 0.242 69 G C -0.176 174.755 174.900 0.052 0.000 1.277 69 G CA 0.515 45.659 45.100 0.074 0.000 0.910 69 G HN 0.829 nan 8.290 nan 0.000 0.576 70 K N -0.330 120.095 120.400 0.042 0.000 2.400 70 K HA 0.799 5.117 4.320 -0.004 0.000 0.246 70 K C -0.207 176.346 176.600 -0.079 0.000 0.995 70 K CA -0.251 56.027 56.287 -0.015 0.000 0.840 70 K CB 2.356 34.876 32.500 0.034 0.000 1.293 70 K HN 1.401 nan 8.250 nan 0.000 0.445 71 A N 1.419 124.153 122.820 -0.143 0.000 2.475 71 A HA 0.723 5.041 4.320 -0.004 0.000 0.301 71 A C -1.229 176.213 177.584 -0.237 0.000 1.059 71 A CA -0.709 51.209 52.037 -0.199 0.000 0.710 71 A CB 0.874 19.813 19.000 -0.102 0.000 1.288 71 A HN 0.642 nan 8.150 nan 0.000 0.408 72 I N 1.247 121.625 120.570 -0.319 0.000 2.474 72 I HA 0.330 4.498 4.170 -0.004 0.000 0.294 72 I C -1.298 174.746 176.117 -0.121 0.000 1.005 72 I CA -0.599 60.566 61.300 -0.225 0.000 1.113 72 I CB 1.950 39.815 38.000 -0.225 0.000 1.289 72 I HN 0.775 nan 8.210 nan 0.000 0.436 73 Y N 7.268 127.419 120.300 -0.248 0.000 2.328 73 Y HA 0.640 5.188 4.550 -0.004 0.000 0.337 73 Y C -1.200 174.588 175.900 -0.188 0.000 0.966 73 Y CA -0.624 57.356 58.100 -0.200 0.000 1.136 73 Y CB 1.502 39.793 38.460 -0.282 0.000 1.170 73 Y HN 0.293 nan 8.280 nan 0.000 0.470 74 V N 6.639 126.151 119.914 -0.671 0.000 2.604 74 V HA 0.781 4.899 4.120 -0.004 0.000 0.305 74 V C -1.096 174.479 176.094 -0.865 0.000 1.043 74 V CA -0.002 61.879 62.300 -0.699 0.000 0.888 74 V CB 1.971 33.361 31.823 -0.720 0.000 0.995 74 V HN 0.927 nan 8.190 nan 0.000 0.429 75 T N 6.163 120.354 114.554 -0.605 0.000 2.889 75 T HA 0.562 4.910 4.350 -0.004 0.000 0.315 75 T C -2.506 172.114 174.700 -0.134 0.000 1.291 75 T CA -1.070 60.857 62.100 -0.289 0.000 1.028 75 T CB 2.291 71.099 68.868 -0.101 0.000 1.235 75 T HN 0.494 nan 8.240 nan 0.000 0.491 76 P HA 0.164 nan 4.420 nan 0.000 0.217 76 P C -0.136 177.109 177.300 -0.091 0.000 1.151 76 P CA 0.850 63.850 63.100 -0.166 0.000 0.828 76 P CB 0.111 31.287 31.700 -0.873 0.000 0.788 77 L N -1.097 120.086 121.223 -0.067 0.000 2.317 77 L HA 0.384 4.722 4.340 -0.004 0.000 0.281 77 L C 1.668 178.543 176.870 0.007 0.000 1.024 77 L CA -0.873 53.965 54.840 -0.003 0.000 0.810 77 L CB 1.805 43.887 42.059 0.038 0.000 1.240 77 L HN -0.270 nan 8.230 nan 0.000 0.427 78 R N 1.883 122.382 120.500 -0.002 0.000 2.105 78 R HA -0.181 4.157 4.340 -0.004 0.000 0.239 78 R C 2.031 178.339 176.300 0.013 0.000 1.135 78 R CA 1.654 57.746 56.100 -0.012 0.000 0.967 78 R CB -0.228 30.050 30.300 -0.036 0.000 0.861 78 R HN 0.875 nan 8.270 nan 0.000 0.442 79 A N 0.703 123.541 122.820 0.030 0.000 2.019 79 A HA -0.095 4.223 4.320 -0.004 0.000 0.219 79 A C 2.048 179.673 177.584 0.069 0.000 1.164 79 A CA 1.048 53.113 52.037 0.047 0.000 0.644 79 A CB -0.275 18.759 19.000 0.056 0.000 0.805 79 A HN 0.198 nan 8.150 nan 0.000 0.449 80 L N -0.345 120.926 121.223 0.079 0.000 2.270 80 L HA -0.088 4.250 4.340 -0.004 0.000 0.210 80 L C 2.944 179.904 176.870 0.149 0.000 1.104 80 L CA 1.460 56.369 54.840 0.116 0.000 0.804 80 L CB -0.527 41.608 42.059 0.126 0.000 0.937 80 L HN 0.634 nan 8.230 nan 0.000 0.450 81 T N -3.616 111.009 114.554 0.117 0.000 2.821 81 T HA -0.151 4.197 4.350 -0.004 0.000 0.267 81 T C 1.714 176.488 174.700 0.123 0.000 1.046 81 T CA 1.161 63.337 62.100 0.128 0.000 1.139 81 T CB -0.338 68.556 68.868 0.043 0.000 0.871 81 T HN 0.248 nan 8.240 nan 0.000 0.454 82 N N 1.103 119.855 118.700 0.087 0.000 2.188 82 N HA -0.063 4.675 4.740 -0.004 0.000 0.184 82 N C 2.038 177.639 175.510 0.151 0.000 1.018 82 N CA 1.132 54.244 53.050 0.103 0.000 0.858 82 N CB -0.154 38.364 38.487 0.052 0.000 0.989 82 N HN 0.609 nan 8.380 nan 0.000 0.426 83 E N 1.117 121.387 120.200 0.117 0.000 2.033 83 E HA -0.170 4.178 4.350 -0.004 0.000 0.199 83 E C 1.718 178.383 176.600 0.108 0.000 1.011 83 E CA 1.130 57.591 56.400 0.100 0.000 0.815 83 E CB 0.100 29.854 29.700 0.090 0.000 0.755 83 E HN 0.197 nan 8.360 nan 0.000 0.451 84 K N 0.177 120.650 120.400 0.122 0.000 2.147 84 K HA -0.185 4.133 4.320 -0.004 0.000 0.205 84 K C 1.985 178.732 176.600 0.245 0.000 1.049 84 K CA 0.952 57.307 56.287 0.113 0.000 0.936 84 K CB -0.610 31.865 32.500 -0.041 0.000 0.722 84 K HN 0.361 nan 8.250 nan 0.000 0.446 85 Y N 1.500 121.858 120.300 0.098 0.000 2.200 85 Y HA -0.149 4.398 4.550 -0.004 0.000 0.290 85 Y C 2.024 177.991 175.900 0.112 0.000 1.137 85 Y CA 1.211 59.370 58.100 0.098 0.000 1.163 85 Y CB -0.129 38.352 38.460 0.036 0.000 0.988 85 Y HN -0.104 nan 8.280 nan 0.000 0.518 86 L N -0.766 120.452 121.223 -0.007 0.000 2.141 86 L HA -0.187 4.150 4.340 -0.004 0.000 0.209 86 L C 2.315 179.117 176.870 -0.114 0.000 1.094 86 L CA 1.601 56.375 54.840 -0.110 0.000 0.763 86 L CB -0.703 41.358 42.059 0.003 0.000 0.908 86 L HN 0.219 nan 8.230 nan 0.000 0.437 87 T N -0.590 113.928 114.554 -0.061 0.000 2.737 87 T HA -0.129 4.218 4.350 -0.004 0.000 0.265 87 T C 1.600 176.224 174.700 -0.126 0.000 1.038 87 T CA 1.293 63.322 62.100 -0.118 0.000 1.144 87 T CB -0.302 68.480 68.868 -0.145 0.000 0.866 87 T HN 0.113 nan 8.240 nan 0.000 0.434 88 F N 1.439 121.365 119.950 -0.040 0.000 2.365 88 F HA 0.088 4.613 4.527 -0.004 0.000 0.300 88 F C 2.325 178.163 175.800 0.064 0.000 1.090 88 F CA 0.725 58.794 58.000 0.115 0.000 1.408 88 F CB -0.175 38.860 39.000 0.057 0.000 1.060 88 F HN -0.016 nan 8.300 nan 0.000 0.534 89 K N 0.193 120.590 120.400 -0.005 0.000 2.360 89 K HA -0.181 4.137 4.320 -0.004 0.000 0.201 89 K C 1.145 177.699 176.600 -0.077 0.000 1.046 89 K CA 1.110 57.339 56.287 -0.097 0.000 0.945 89 K CB -0.250 32.074 32.500 -0.293 0.000 0.750 89 K HN 0.218 nan 8.250 nan 0.000 0.464 90 D N -0.281 120.006 120.400 -0.188 0.000 2.221 90 D HA -0.165 4.473 4.640 -0.004 0.000 0.204 90 D C 1.047 177.124 176.300 -0.371 0.000 0.982 90 D CA 0.948 54.725 54.000 -0.371 0.000 0.857 90 D CB -0.167 40.261 40.800 -0.620 0.000 0.934 90 D HN 0.337 nan 8.370 nan 0.000 0.475 91 W N 1.385 122.718 121.300 0.053 0.000 3.180 91 W HA 0.108 4.766 4.660 -0.004 0.000 0.254 91 W C 1.752 178.354 176.519 0.138 0.000 1.318 91 W CA -0.204 57.217 57.345 0.127 0.000 1.608 91 W CB -0.018 29.578 29.460 0.226 0.000 1.124 91 W HN -0.017 nan 8.180 nan 0.000 0.694 92 E N 0.581 120.913 120.200 0.220 0.000 2.418 92 E HA -0.123 4.225 4.350 -0.004 0.000 0.197 92 E C 1.798 178.440 176.600 0.070 0.000 1.026 92 E CA 0.627 57.117 56.400 0.149 0.000 0.862 92 E CB -0.219 29.540 29.700 0.098 0.000 0.799 92 E HN 0.437 nan 8.360 nan 0.000 0.518 93 L N 0.566 121.814 121.223 0.041 0.000 2.109 93 L HA -0.094 4.244 4.340 -0.004 0.000 0.207 93 L C 2.150 179.026 176.870 0.010 0.000 1.086 93 L CA 0.884 55.722 54.840 -0.003 0.000 0.760 93 L CB -0.231 41.794 42.059 -0.057 0.000 0.910 93 L HN 0.197 nan 8.230 nan 0.000 0.437 94 I N -3.143 117.464 120.570 0.063 0.000 3.864 94 I HA 0.430 4.598 4.170 -0.004 0.000 0.326 94 I C 1.205 177.197 176.117 -0.208 0.000 1.444 94 I CA 0.264 61.551 61.300 -0.022 0.000 1.195 94 I CB -0.420 37.626 38.000 0.075 0.000 1.124 94 I HN 0.158 nan 8.210 nan 0.000 0.407 95 G N 0.735 109.466 108.800 -0.115 0.000 2.162 95 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.260 95 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.260 95 G C -0.054 174.766 174.900 -0.134 0.000 0.976 95 G CA -0.183 44.829 45.100 -0.147 0.000 0.655 95 G HN 0.352 nan 8.290 nan 0.000 0.533 96 F N 1.175 121.186 119.950 0.103 0.000 2.412 96 F HA 0.510 5.035 4.527 -0.004 0.000 0.348 96 F C 1.092 176.964 175.800 0.120 0.000 1.102 96 F CA -0.533 57.530 58.000 0.104 0.000 1.196 96 F CB 1.022 40.099 39.000 0.129 0.000 1.144 96 F HN -0.073 nan 8.300 nan 0.000 0.541 97 K N 2.839 123.440 120.400 0.335 0.000 2.240 97 K HA 0.568 4.886 4.320 -0.004 0.000 0.271 97 K C -1.120 175.726 176.600 0.409 0.000 1.018 97 K CA -0.619 55.839 56.287 0.285 0.000 0.874 97 K CB 1.722 34.256 32.500 0.057 0.000 1.098 97 K HN 0.295 nan 8.250 nan 0.000 0.458 98 V N 2.110 122.267 119.914 0.405 0.000 2.483 98 V HA 0.733 4.851 4.120 -0.004 0.000 0.295 98 V C -0.272 175.999 176.094 0.296 0.000 1.035 98 V CA -0.705 61.774 62.300 0.298 0.000 0.896 98 V CB 1.406 33.354 31.823 0.208 0.000 0.986 98 V HN 0.940 nan 8.190 nan 0.000 0.447 99 A N 5.104 127.976 122.820 0.086 0.000 2.587 99 A HA 0.917 5.235 4.320 -0.004 0.000 0.293 99 A C -0.996 176.499 177.584 -0.148 0.000 1.087 99 A CA -0.774 51.171 52.037 -0.152 0.000 0.692 99 A CB 1.865 20.402 19.000 -0.771 0.000 1.291 99 A HN 0.728 nan 8.150 nan 0.000 0.407 100 M N 2.043 121.474 119.600 -0.281 0.000 2.336 100 M HA 0.357 4.835 4.480 -0.004 0.000 0.342 100 M C 0.616 176.827 176.300 -0.149 0.000 1.128 100 M CA -0.571 54.572 55.300 -0.262 0.000 1.016 100 M CB 1.950 34.307 32.600 -0.405 0.000 1.665 100 M HN 0.917 nan 8.290 nan 0.000 0.445 101 T N 0.083 114.531 114.554 -0.178 0.000 2.906 101 T HA 0.165 4.513 4.350 -0.004 0.000 0.320 101 T C 0.605 175.275 174.700 -0.051 0.000 1.088 101 T CA -0.851 61.163 62.100 -0.145 0.000 1.120 101 T CB 0.402 69.175 68.868 -0.160 0.000 1.000 101 T HN 0.756 nan 8.240 nan 0.000 0.550 102 S N 1.119 116.841 115.700 0.037 0.000 2.608 102 S HA 0.405 4.873 4.470 -0.004 0.000 0.261 102 S C 1.585 176.096 174.600 -0.147 0.000 1.314 102 S CA -0.422 57.766 58.200 -0.020 0.000 0.992 102 S CB 0.428 63.661 63.200 0.055 0.000 0.935 102 S HN 1.107 nan 8.310 nan 0.000 0.564 103 G N -0.611 108.069 108.800 -0.201 0.000 2.813 103 G HA2 0.073 4.031 3.960 -0.004 0.000 0.209 103 G HA3 0.073 4.031 3.960 -0.004 0.000 0.209 103 G C 0.141 174.758 174.900 -0.472 0.000 1.150 103 G CA 0.030 44.936 45.100 -0.323 0.000 0.785 103 G HN 0.775 nan 8.290 nan 0.000 0.535 104 D N -0.601 119.600 120.400 -0.332 0.000 2.351 104 D HA 0.163 4.800 4.640 -0.004 0.000 0.251 104 D C 0.540 176.673 176.300 -0.278 0.000 1.137 104 D CA -0.605 53.203 54.000 -0.318 0.000 0.879 104 D CB 0.809 41.502 40.800 -0.179 0.000 1.181 104 D HN 0.103 nan 8.370 nan 0.000 0.448 105 Y N 1.011 121.253 120.300 -0.097 0.000 2.448 105 Y HA 0.046 4.594 4.550 -0.004 0.000 0.289 105 Y C 1.380 177.312 175.900 0.053 0.000 1.114 105 Y CA 0.131 58.210 58.100 -0.036 0.000 1.235 105 Y CB 0.008 38.509 38.460 0.067 0.000 1.045 105 Y HN 0.371 nan 8.280 nan 0.000 0.554 106 D N 0.582 121.126 120.400 0.241 0.000 3.085 106 D HA 0.140 4.778 4.640 -0.004 0.000 0.243 106 D C -0.342 176.007 176.300 0.082 0.000 1.232 106 D CA 0.366 54.527 54.000 0.268 0.000 0.913 106 D CB -0.216 40.812 40.800 0.379 0.000 1.108 106 D HN 0.103 nan 8.370 nan 0.000 0.468 107 T N -1.064 113.373 114.554 -0.194 0.000 2.786 107 T HA 0.181 4.529 4.350 -0.004 0.000 0.316 107 T C -0.739 173.702 174.700 -0.431 0.000 1.503 107 T CA -0.640 61.338 62.100 -0.204 0.000 1.019 107 T CB 1.100 69.949 68.868 -0.031 0.000 1.415 107 T HN 0.040 nan 8.240 nan 0.000 0.496 108 D N 0.630 120.927 120.400 -0.172 0.000 2.398 108 D HA 0.173 4.811 4.640 -0.004 0.000 0.210 108 D C -0.110 176.244 176.300 0.089 0.000 1.094 108 D CA -0.059 53.903 54.000 -0.064 0.000 0.839 108 D CB -0.113 40.717 40.800 0.049 0.000 0.963 108 D HN 0.594 nan 8.370 nan 0.000 0.506 109 D N 0.529 120.926 120.400 -0.004 0.000 2.740 109 D HA -0.187 4.451 4.640 -0.004 0.000 0.231 109 D C 1.223 177.244 176.300 -0.465 0.000 1.194 109 D CA 0.807 54.649 54.000 -0.263 0.000 0.673 109 D CB -1.147 39.373 40.800 -0.467 0.000 0.995 109 D HN 0.457 nan 8.370 nan 0.000 0.411 110 A N 0.489 123.264 122.820 -0.075 0.000 2.019 110 A HA -0.155 4.163 4.320 -0.004 0.000 0.219 110 A C 2.000 179.528 177.584 -0.092 0.000 1.164 110 A CA 1.201 53.260 52.037 0.036 0.000 0.644 110 A CB -0.685 18.401 19.000 0.143 0.000 0.805 110 A HN 0.688 nan 8.150 nan 0.000 0.449 111 W N -0.437 120.837 121.300 -0.043 0.000 2.538 111 W HA -0.018 4.639 4.660 -0.004 0.000 0.254 111 W C 0.806 177.286 176.519 -0.066 0.000 1.249 111 W CA 0.408 57.732 57.345 -0.034 0.000 1.253 111 W CB -1.020 28.432 29.460 -0.012 0.000 1.130 111 W HN 0.247 nan 8.180 nan 0.000 0.618 112 L N 2.014 122.661 121.223 -0.961 0.000 2.465 112 L HA -0.165 4.173 4.340 -0.004 0.000 0.224 112 L C 2.770 179.304 176.870 -0.559 0.000 1.145 112 L CA 1.503 55.712 54.840 -1.052 0.000 0.834 112 L CB -0.569 40.215 42.059 -2.125 0.000 0.944 112 L HN -0.012 nan 8.230 nan 0.000 0.451 113 K N -0.126 120.089 120.400 -0.309 0.000 2.218 113 K HA -0.217 4.101 4.320 -0.004 0.000 0.205 113 K C 1.001 177.583 176.600 -0.030 0.000 1.046 113 K CA 2.108 58.375 56.287 -0.033 0.000 0.933 113 K CB -0.466 32.073 32.500 0.065 0.000 0.728 113 K HN 0.402 nan 8.250 nan 0.000 0.454 114 N N -0.820 117.847 118.700 -0.055 0.000 2.268 114 N HA 0.090 4.828 4.740 -0.004 0.000 0.204 114 N C -0.999 174.273 175.510 -0.397 0.000 1.124 114 N CA -0.267 52.674 53.050 -0.182 0.000 0.838 114 N CB 0.235 38.592 38.487 -0.217 0.000 0.994 114 N HN 0.119 nan 8.380 nan 0.000 0.489 115 Y N -0.394 119.861 120.300 -0.074 0.000 2.485 115 Y HA 0.283 4.831 4.550 -0.004 0.000 0.345 115 Y C 0.519 176.379 175.900 -0.067 0.000 0.998 115 Y CA -1.019 57.045 58.100 -0.059 0.000 1.059 115 Y CB 1.534 39.926 38.460 -0.113 0.000 1.234 115 Y HN -0.076 nan 8.280 nan 0.000 0.461 116 D N 1.200 121.681 120.400 0.134 0.000 2.394 116 D HA 0.180 4.818 4.640 -0.004 0.000 0.226 116 D C -0.062 176.200 176.300 -0.063 0.000 0.990 116 D CA 0.987 55.010 54.000 0.039 0.000 0.902 116 D CB 1.082 41.947 40.800 0.108 0.000 1.038 116 D HN 0.325 nan 8.370 nan 0.000 0.499 117 I N 1.628 122.179 120.570 -0.031 0.000 2.389 117 I HA 0.333 4.501 4.170 -0.004 0.000 0.288 117 I C -0.687 175.356 176.117 -0.124 0.000 0.999 117 I CA -0.537 60.683 61.300 -0.133 0.000 1.129 117 I CB 2.185 40.092 38.000 -0.155 0.000 1.288 117 I HN -0.320 nan 8.210 nan 0.000 0.444 118 I N 6.982 127.440 120.570 -0.186 0.000 2.436 118 I HA 0.401 4.569 4.170 -0.004 0.000 0.289 118 I C -0.759 175.260 176.117 -0.164 0.000 1.010 118 I CA -0.584 60.600 61.300 -0.193 0.000 1.098 118 I CB 1.961 39.807 38.000 -0.257 0.000 1.266 118 I HN 0.328 nan 8.210 nan 0.000 0.434 119 I N 5.326 125.825 120.570 -0.118 0.000 2.336 119 I HA 0.542 4.710 4.170 -0.004 0.000 0.292 119 I C 0.313 176.384 176.117 -0.077 0.000 0.991 119 I CA 0.169 61.447 61.300 -0.037 0.000 1.227 119 I CB 1.730 39.758 38.000 0.046 0.000 1.366 119 I HN 0.544 nan 8.210 nan 0.000 0.466 120 T N 3.235 117.738 114.554 -0.085 0.000 2.787 120 T HA 0.686 5.034 4.350 -0.004 0.000 0.297 120 T C -0.453 174.143 174.700 -0.173 0.000 1.221 120 T CA -0.406 61.614 62.100 -0.133 0.000 1.006 120 T CB 1.249 70.030 68.868 -0.146 0.000 1.328 120 T HN 0.693 nan 8.240 nan 0.000 0.509 121 T N -0.136 114.321 114.554 -0.162 0.000 2.936 121 T HA 0.478 4.826 4.350 -0.004 0.000 0.282 121 T C 0.711 175.302 174.700 -0.181 0.000 1.003 121 T CA -0.431 61.569 62.100 -0.167 0.000 1.005 121 T CB 0.668 69.493 68.868 -0.072 0.000 1.097 121 T HN 0.595 nan 8.240 nan 0.000 0.532 122 Y N 0.452 120.709 120.300 -0.072 0.000 2.181 122 Y HA -0.041 4.507 4.550 -0.003 0.000 0.288 122 Y C 2.721 178.614 175.900 -0.012 0.000 1.146 122 Y CA 1.647 59.728 58.100 -0.031 0.000 1.164 122 Y CB -0.429 38.011 38.460 -0.032 0.000 0.982 122 Y HN 0.684 nan 8.280 nan 0.000 0.515 123 E N 0.155 120.423 120.200 0.113 0.000 2.051 123 E HA -0.210 4.137 4.350 -0.004 0.000 0.192 123 E C 2.032 178.495 176.600 -0.228 0.000 0.991 123 E CA 1.393 57.758 56.400 -0.057 0.000 0.799 123 E CB -0.172 29.508 29.700 -0.033 0.000 0.748 123 E HN 0.118 nan 8.360 nan 0.000 0.449 124 K N 0.482 120.856 120.400 -0.045 0.000 2.097 124 K HA -0.101 4.216 4.320 -0.004 0.000 0.206 124 K C 1.833 178.389 176.600 -0.073 0.000 1.049 124 K CA 0.742 57.011 56.287 -0.030 0.000 0.933 124 K CB -0.420 32.043 32.500 -0.062 0.000 0.717 124 K HN 0.131 nan 8.250 nan 0.000 0.442 125 L N 1.029 122.206 121.223 -0.077 0.000 2.056 125 L HA -0.084 4.254 4.340 -0.004 0.000 0.207 125 L C 1.710 178.598 176.870 0.030 0.000 1.078 125 L CA 2.095 56.868 54.840 -0.112 0.000 0.749 125 L CB -0.979 40.993 42.059 -0.145 0.000 0.901 125 L HN 0.313 nan 8.230 nan 0.000 0.433 126 D N -1.312 119.181 120.400 0.154 0.000 2.092 126 D HA -0.239 4.399 4.640 -0.004 0.000 0.193 126 D C 2.404 178.847 176.300 0.238 0.000 0.994 126 D CA 1.568 55.746 54.000 0.296 0.000 0.828 126 D CB -0.159 40.826 40.800 0.307 0.000 0.963 126 D HN 0.406 nan 8.370 nan 0.000 0.450 127 S N -0.915 114.761 115.700 -0.040 0.000 2.372 127 S HA -0.191 4.277 4.470 -0.004 0.000 0.227 127 S C 2.222 176.956 174.600 0.222 0.000 1.044 127 S CA 1.380 59.593 58.200 0.021 0.000 1.050 127 S CB -0.561 62.476 63.200 -0.272 0.000 0.901 127 S HN 0.369 nan 8.310 nan 0.000 0.447 128 L N -0.344 120.927 121.223 0.080 0.000 2.017 128 L HA -0.102 4.236 4.340 -0.004 0.000 0.208 128 L C 2.686 179.577 176.870 0.035 0.000 1.073 128 L CA 1.441 56.288 54.840 0.012 0.000 0.745 128 L CB -0.603 41.369 42.059 -0.145 0.000 0.894 128 L HN 0.460 nan 8.230 nan 0.000 0.432 129 W N 0.954 122.248 121.300 -0.009 0.000 2.342 129 W HA -0.155 4.503 4.660 -0.004 0.000 0.297 129 W C 2.741 179.238 176.519 -0.037 0.000 1.213 129 W CA 1.192 58.505 57.345 -0.053 0.000 1.251 129 W CB -0.555 28.869 29.460 -0.061 0.000 1.136 129 W HN 0.198 nan 8.180 nan 0.000 0.526 130 R N -1.046 119.592 120.500 0.231 0.000 2.159 130 R HA -0.189 4.148 4.340 -0.004 0.000 0.237 130 R C 1.620 177.903 176.300 -0.028 0.000 1.131 130 R CA 1.616 57.760 56.100 0.073 0.000 0.982 130 R CB -0.682 29.659 30.300 0.068 0.000 0.868 130 R HN 0.299 nan 8.270 nan 0.000 0.453 131 H N -0.569 118.532 119.070 0.052 0.000 2.544 131 H HA 0.210 4.764 4.556 -0.004 0.000 0.269 131 H C 0.040 175.363 175.328 -0.008 0.000 0.970 131 H CA 0.131 56.195 56.048 0.027 0.000 1.219 131 H CB 0.388 30.168 29.762 0.030 0.000 1.421 131 H HN -0.030 nan 8.280 nan 0.000 0.555 132 R N 0.074 120.616 120.500 0.071 0.000 3.261 132 R HA -0.103 4.235 4.340 -0.004 0.000 0.257 132 R C -2.668 173.591 176.300 -0.068 0.000 1.014 132 R CA 0.229 56.332 56.100 0.004 0.000 0.681 132 R CB -1.652 28.658 30.300 0.015 0.000 1.155 132 R HN 0.356 nan 8.270 nan 0.000 0.424 133 P HA 0.110 nan 4.420 nan 0.000 0.278 133 P C 0.230 177.339 177.300 -0.317 0.000 1.238 133 P CA -0.225 62.729 63.100 -0.242 0.000 0.794 133 P CB 0.953 32.432 31.700 -0.367 0.000 0.955 134 E N 1.953 122.084 120.200 -0.115 0.000 2.065 134 E HA -0.203 4.145 4.350 -0.004 0.000 0.201 134 E C 1.741 178.305 176.600 -0.061 0.000 1.016 134 E CA 2.120 58.492 56.400 -0.046 0.000 0.818 134 E CB -0.725 29.003 29.700 0.046 0.000 0.749 134 E HN 0.690 nan 8.360 nan 0.000 0.453 135 W N 0.733 122.011 121.300 -0.037 0.000 2.341 135 W HA -0.159 4.499 4.660 -0.004 0.000 0.283 135 W C 1.386 177.861 176.519 -0.072 0.000 1.215 135 W CA 0.550 57.859 57.345 -0.060 0.000 1.211 135 W CB -0.774 28.625 29.460 -0.101 0.000 1.131 135 W HN 0.084 nan 8.180 nan 0.000 0.552 136 L N 1.581 122.261 121.223 -0.906 0.000 2.291 136 L HA -0.166 4.171 4.340 -0.004 0.000 0.214 136 L C 1.956 178.682 176.870 -0.240 0.000 1.120 136 L CA 1.181 55.522 54.840 -0.833 0.000 0.799 136 L CB -0.617 40.803 42.059 -1.066 0.000 0.925 136 L HN -0.068 nan 8.230 nan 0.000 0.446 137 N N 0.110 118.734 118.700 -0.126 0.000 2.520 137 N HA -0.153 4.585 4.740 -0.004 0.000 0.185 137 N C 1.222 176.762 175.510 0.051 0.000 1.068 137 N CA 0.835 53.892 53.050 0.011 0.000 0.911 137 N CB 0.096 38.592 38.487 0.015 0.000 0.961 137 N HN 0.406 nan 8.380 nan 0.000 0.446 138 E N -0.828 119.401 120.200 0.048 0.000 2.472 138 E HA 0.108 4.456 4.350 -0.004 0.000 0.196 138 E C -0.395 176.244 176.600 0.066 0.000 1.033 138 E CA -0.038 56.410 56.400 0.080 0.000 0.886 138 E CB 0.764 30.528 29.700 0.105 0.000 0.944 138 E HN -0.021 nan 8.360 nan 0.000 0.492 139 V N 3.072 122.997 119.914 0.019 0.000 2.387 139 V HA 0.039 4.157 4.120 -0.004 0.000 0.260 139 V C 0.644 176.670 176.094 -0.114 0.000 1.054 139 V CA 0.071 62.295 62.300 -0.127 0.000 0.967 139 V CB 0.590 32.228 31.823 -0.308 0.000 1.036 139 V HN 0.239 nan 8.190 nan 0.000 0.481 140 N N 3.130 121.795 118.700 -0.057 0.000 2.205 140 N HA 0.123 4.860 4.740 -0.004 0.000 0.201 140 N C -0.631 174.781 175.510 -0.163 0.000 1.128 140 N CA 0.241 53.326 53.050 0.058 0.000 0.867 140 N CB 0.872 39.530 38.487 0.284 0.000 0.996 140 N HN 0.726 nan 8.380 nan 0.000 0.503 141 Y N 0.027 119.956 120.300 -0.617 0.000 2.401 141 Y HA 0.400 4.948 4.550 -0.003 0.000 0.330 141 Y C -1.782 173.730 175.900 -0.647 0.000 1.071 141 Y CA -1.005 56.662 58.100 -0.723 0.000 1.049 141 Y CB 0.723 38.487 38.460 -1.161 0.000 1.239 141 Y HN -0.237 nan 8.280 nan 0.000 0.437 142 F N 5.354 124.968 119.950 -0.559 0.000 2.507 142 F HA 0.610 5.135 4.527 -0.003 0.000 0.325 142 F C -0.739 174.787 175.800 -0.457 0.000 1.116 142 F CA -1.222 56.566 58.000 -0.354 0.000 0.930 142 F CB 1.835 40.725 39.000 -0.184 0.000 1.146 142 F HN 0.140 nan 8.300 nan 0.000 0.447 143 V N 5.100 124.939 119.914 -0.125 0.000 2.364 143 V HA 0.290 4.408 4.120 -0.004 0.000 0.272 143 V C -0.085 175.917 176.094 -0.154 0.000 1.036 143 V CA -0.615 61.627 62.300 -0.097 0.000 0.880 143 V CB 1.152 33.039 31.823 0.107 0.000 0.991 143 V HN 0.536 nan 8.190 nan 0.000 0.460 144 L N 4.550 125.728 121.223 -0.075 0.000 2.287 144 L HA 0.471 4.809 4.340 -0.004 0.000 0.280 144 L C -0.044 176.837 176.870 0.017 0.000 1.055 144 L CA -0.250 54.584 54.840 -0.009 0.000 0.863 144 L CB 0.704 42.829 42.059 0.110 0.000 1.245 144 L HN 0.527 nan 8.230 nan 0.000 0.432 145 D N 3.283 123.623 120.400 -0.100 0.000 2.283 145 D HA 0.109 4.747 4.640 -0.004 0.000 0.248 145 D C 0.337 176.681 176.300 0.073 0.000 1.072 145 D CA -0.021 53.966 54.000 -0.022 0.000 0.929 145 D CB 0.969 41.687 40.800 -0.137 0.000 1.182 145 D HN 0.490 nan 8.370 nan 0.000 0.433 146 E N 1.066 121.343 120.200 0.129 0.000 2.252 146 E HA -0.247 4.101 4.350 -0.004 0.000 0.218 146 E C 0.801 177.373 176.600 -0.046 0.000 1.253 146 E CA -0.114 56.352 56.400 0.111 0.000 0.705 146 E CB -1.173 28.532 29.700 0.010 0.000 1.172 146 E HN 0.351 nan 8.360 nan 0.000 0.369 147 L N 1.085 122.367 121.223 0.097 0.000 2.275 147 L HA -0.160 4.178 4.340 -0.004 0.000 0.215 147 L C 2.543 179.437 176.870 0.040 0.000 1.119 147 L CA 2.159 57.034 54.840 0.059 0.000 0.790 147 L CB -0.377 41.758 42.059 0.127 0.000 0.919 147 L HN 0.512 nan 8.230 nan 0.000 0.443 148 H N -2.992 116.153 119.070 0.124 0.000 2.557 148 H HA -0.230 4.323 4.556 -0.004 0.000 0.287 148 H C 1.331 176.683 175.328 0.040 0.000 1.043 148 H CA 1.215 57.306 56.048 0.072 0.000 1.226 148 H CB -0.953 28.843 29.762 0.055 0.000 1.361 148 H HN 0.400 nan 8.280 nan 0.000 0.592 149 Y N 1.219 121.229 120.300 -0.483 0.000 2.616 149 Y HA 0.015 4.563 4.550 -0.003 0.000 0.296 149 Y C 2.499 178.248 175.900 -0.251 0.000 1.154 149 Y CA 0.174 58.066 58.100 -0.347 0.000 1.325 149 Y CB -0.168 38.053 38.460 -0.397 0.000 1.007 149 Y HN 0.148 nan 8.280 nan 0.000 0.542 150 L N -0.409 120.760 121.223 -0.089 0.000 2.187 150 L HA -0.286 4.052 4.340 -0.004 0.000 0.213 150 L C 2.038 178.833 176.870 -0.126 0.000 1.100 150 L CA 1.252 56.020 54.840 -0.121 0.000 0.765 150 L CB -0.350 41.642 42.059 -0.111 0.000 0.904 150 L HN 0.195 nan 8.230 nan 0.000 0.437 151 N N -0.295 118.342 118.700 -0.105 0.000 2.463 151 N HA -0.082 4.655 4.740 -0.004 0.000 0.181 151 N C 0.132 175.568 175.510 -0.123 0.000 1.078 151 N CA 0.277 53.265 53.050 -0.105 0.000 0.902 151 N CB -0.141 38.305 38.487 -0.069 0.000 0.970 151 N HN 0.250 nan 8.380 nan 0.000 0.451 152 D N -0.202 120.109 120.400 -0.149 0.000 2.383 152 D HA 0.103 4.741 4.640 -0.004 0.000 0.252 152 D C -1.590 174.646 176.300 -0.106 0.000 1.166 152 D CA -1.740 52.170 54.000 -0.149 0.000 0.879 152 D CB 1.412 42.101 40.800 -0.184 0.000 1.164 152 D HN 0.027 nan 8.370 nan 0.000 0.462 153 P HA -0.152 nan 4.420 nan 0.000 0.216 153 P C 0.522 177.775 177.300 -0.079 0.000 1.150 153 P CA 1.284 64.330 63.100 -0.091 0.000 0.843 153 P CB 0.219 31.869 31.700 -0.083 0.000 0.787 154 E N -1.012 119.157 120.200 -0.053 0.000 2.102 154 E HA 0.019 4.367 4.350 -0.004 0.000 0.190 154 E C 2.085 178.680 176.600 -0.009 0.000 0.971 154 E CA 0.625 57.010 56.400 -0.026 0.000 0.821 154 E CB -0.090 29.609 29.700 -0.001 0.000 0.777 154 E HN 0.250 nan 8.360 nan 0.000 0.460 155 R N 0.291 120.795 120.500 0.008 0.000 2.206 155 R HA 0.108 4.446 4.340 -0.004 0.000 0.198 155 R C 2.380 178.653 176.300 -0.045 0.000 0.986 155 R CA 0.536 56.652 56.100 0.025 0.000 1.029 155 R CB -0.066 30.310 30.300 0.125 0.000 0.966 155 R HN 0.106 nan 8.270 nan 0.000 0.487 156 G N 3.089 111.847 108.800 -0.070 0.000 2.574 156 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.220 156 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.220 156 G C -0.936 173.878 174.900 -0.143 0.000 1.173 156 G CA 0.868 45.896 45.100 -0.121 0.000 0.772 156 G HN 0.261 nan 8.290 nan 0.000 0.585 157 P HA 0.005 nan 4.420 nan 0.000 0.218 157 P C 2.026 179.269 177.300 -0.095 0.000 1.149 157 P CA 0.695 63.694 63.100 -0.168 0.000 0.817 157 P CB -0.053 31.550 31.700 -0.163 0.000 0.785 158 V N -0.653 119.240 119.914 -0.035 0.000 2.453 158 V HA -0.164 3.953 4.120 -0.004 0.000 0.247 158 V C 2.451 178.557 176.094 0.019 0.000 1.048 158 V CA 1.513 63.845 62.300 0.052 0.000 1.049 158 V CB -1.216 30.677 31.823 0.117 0.000 0.672 158 V HN -0.032 nan 8.190 nan 0.000 0.457 159 V N -0.091 119.727 119.914 -0.160 0.000 2.343 159 V HA -0.274 3.844 4.120 -0.004 0.000 0.247 159 V C 2.470 178.524 176.094 -0.067 0.000 1.051 159 V CA 2.077 64.165 62.300 -0.353 0.000 1.036 159 V CB -0.602 30.887 31.823 -0.557 0.000 0.654 159 V HN 0.594 nan 8.190 nan 0.000 0.451 160 E N 0.117 120.290 120.200 -0.045 0.000 2.051 160 E HA -0.188 4.159 4.350 -0.004 0.000 0.192 160 E C 2.446 179.109 176.600 0.104 0.000 0.991 160 E CA 1.652 58.083 56.400 0.052 0.000 0.799 160 E CB -0.200 29.438 29.700 -0.105 0.000 0.748 160 E HN 0.562 nan 8.360 nan 0.000 0.449 161 S N 0.418 116.166 115.700 0.080 0.000 2.365 161 S HA -0.160 4.307 4.470 -0.004 0.000 0.225 161 S C 2.181 176.802 174.600 0.034 0.000 1.039 161 S CA 1.096 59.377 58.200 0.135 0.000 1.033 161 S CB -0.253 63.055 63.200 0.180 0.000 0.887 161 S HN 0.068 nan 8.310 nan 0.000 0.447 162 V N 1.581 121.573 119.914 0.130 0.000 2.307 162 V HA -0.172 3.946 4.120 -0.004 0.000 0.245 162 V C 2.551 178.636 176.094 -0.015 0.000 1.045 162 V CA 2.100 64.515 62.300 0.191 0.000 1.024 162 V CB -1.328 30.770 31.823 0.459 0.000 0.651 162 V HN 0.510 nan 8.190 nan 0.000 0.449 163 T N 0.417 115.003 114.554 0.054 0.000 2.684 163 T HA -0.202 4.146 4.350 -0.004 0.000 0.267 163 T C 1.818 176.407 174.700 -0.184 0.000 1.036 163 T CA 2.004 64.088 62.100 -0.025 0.000 1.148 163 T CB -0.359 68.583 68.868 0.123 0.000 0.863 163 T HN 0.334 nan 8.240 nan 0.000 0.436 164 I N 0.553 121.056 120.570 -0.112 0.000 2.151 164 I HA -0.258 3.910 4.170 -0.004 0.000 0.243 164 I C 2.785 178.723 176.117 -0.299 0.000 1.080 164 I CA 1.572 62.782 61.300 -0.150 0.000 1.339 164 I CB -0.274 37.746 38.000 0.034 0.000 1.039 164 I HN 0.133 nan 8.210 nan 0.000 0.409 165 R N 0.300 120.489 120.500 -0.518 0.000 2.090 165 R HA -0.027 4.311 4.340 -0.004 0.000 0.228 165 R C 2.458 178.382 176.300 -0.626 0.000 1.110 165 R CA 1.182 56.806 56.100 -0.793 0.000 0.973 165 R CB -0.432 28.794 30.300 -1.790 0.000 0.869 165 R HN 0.361 nan 8.270 nan 0.000 0.440 166 A N 1.625 124.057 122.820 -0.647 0.000 1.908 166 A HA -0.239 4.078 4.320 -0.004 0.000 0.218 166 A C 1.839 179.246 177.584 -0.296 0.000 1.181 166 A CA 1.585 53.234 52.037 -0.647 0.000 0.627 166 A CB -0.368 18.287 19.000 -0.576 0.000 0.818 166 A HN 0.211 nan 8.150 nan 0.000 0.445 167 K N -0.650 119.580 120.400 -0.283 0.000 2.173 167 K HA -0.182 4.136 4.320 -0.004 0.000 0.207 167 K C 2.042 178.552 176.600 -0.150 0.000 1.046 167 K CA 1.623 57.770 56.287 -0.232 0.000 0.929 167 K CB -0.193 32.116 32.500 -0.318 0.000 0.720 167 K HN 0.460 nan 8.250 nan 0.000 0.453 168 R N -0.012 120.406 120.500 -0.137 0.000 2.280 168 R HA -0.012 4.326 4.340 -0.004 0.000 0.207 168 R C 1.339 177.644 176.300 0.008 0.000 1.043 168 R CA 0.635 56.696 56.100 -0.064 0.000 1.006 168 R CB 0.121 30.384 30.300 -0.062 0.000 0.885 168 R HN 0.020 nan 8.270 nan 0.000 0.467 169 R N -0.350 120.172 120.500 0.038 0.000 2.769 169 R HA 0.295 4.632 4.340 -0.004 0.000 0.117 169 R C -0.388 175.963 176.300 0.085 0.000 1.152 169 R CA -0.418 55.761 56.100 0.131 0.000 0.887 169 R CB 0.439 30.930 30.300 0.319 0.000 1.099 169 R HN -0.051 nan 8.270 nan 0.000 0.398 170 N N 0.573 119.324 118.700 0.085 0.000 2.314 170 N HA 0.478 5.216 4.740 -0.004 0.000 0.304 170 N C -1.401 174.010 175.510 -0.164 0.000 1.073 170 N CA -0.463 52.564 53.050 -0.038 0.000 0.822 170 N CB 2.227 40.655 38.487 -0.099 0.000 1.280 170 N HN 0.236 nan 8.380 nan 0.000 0.489 171 L N -1.215 119.862 121.223 -0.245 0.000 2.469 171 L HA 0.743 5.081 4.340 -0.004 0.000 0.256 171 L C -1.647 175.017 176.870 -0.343 0.000 1.006 171 L CA -1.064 53.571 54.840 -0.342 0.000 0.832 171 L CB 1.433 43.405 42.059 -0.145 0.000 1.421 171 L HN 0.351 nan 8.230 nan 0.000 0.410 172 L N 1.885 122.896 121.223 -0.354 0.000 2.381 172 L HA 0.979 5.317 4.340 -0.004 0.000 0.274 172 L C -0.625 176.216 176.870 -0.048 0.000 0.988 172 L CA -0.327 54.434 54.840 -0.132 0.000 0.824 172 L CB 1.580 43.605 42.059 -0.057 0.000 1.263 172 L HN 1.046 nan 8.230 nan 0.000 0.410 173 A N 6.276 129.103 122.820 0.011 0.000 2.318 173 A HA 0.841 5.159 4.320 -0.004 0.000 0.324 173 A C -1.281 176.353 177.584 0.084 0.000 1.170 173 A CA -0.515 51.553 52.037 0.051 0.000 0.810 173 A CB 0.654 19.695 19.000 0.067 0.000 1.198 173 A HN 0.719 nan 8.150 nan 0.000 0.484 174 L N 1.610 122.895 121.223 0.104 0.000 2.381 174 L HA 0.822 5.160 4.340 -0.004 0.000 0.268 174 L C 0.073 177.042 176.870 0.165 0.000 0.997 174 L CA -0.517 54.400 54.840 0.128 0.000 0.818 174 L CB 2.165 44.311 42.059 0.145 0.000 1.310 174 L HN 0.700 nan 8.230 nan 0.000 0.416 175 S N 0.891 116.696 115.700 0.176 0.000 2.565 175 S HA 0.814 5.281 4.470 -0.004 0.000 0.269 175 S C -0.577 174.123 174.600 0.165 0.000 1.153 175 S CA -0.117 58.239 58.200 0.261 0.000 0.835 175 S CB 1.769 65.118 63.200 0.248 0.000 1.122 175 S HN 0.805 nan 8.310 nan 0.000 0.462 176 A N 1.852 124.728 122.820 0.093 0.000 2.364 176 A HA 0.515 4.833 4.320 -0.004 0.000 0.258 176 A C 0.479 178.011 177.584 -0.086 0.000 1.131 176 A CA 0.131 52.071 52.037 -0.161 0.000 0.800 176 A CB -0.831 17.799 19.000 -0.616 0.000 1.086 176 A HN 0.943 nan 8.150 nan 0.000 0.508 177 T N 0.613 115.110 114.554 -0.095 0.000 2.905 177 T HA 0.287 4.635 4.350 -0.004 0.000 0.299 177 T C -0.006 174.693 174.700 -0.001 0.000 1.024 177 T CA 1.055 63.129 62.100 -0.043 0.000 1.151 177 T CB -0.517 68.329 68.868 -0.036 0.000 0.987 177 T HN 0.332 nan 8.240 nan 0.000 0.535 178 I N 2.879 123.484 120.570 0.059 0.000 2.389 178 I HA 0.165 4.333 4.170 -0.004 0.000 0.288 178 I C 1.381 177.616 176.117 0.198 0.000 0.999 178 I CA -0.585 60.790 61.300 0.126 0.000 1.129 178 I CB 1.998 40.104 38.000 0.177 0.000 1.288 178 I HN 0.752 nan 8.210 nan 0.000 0.444 179 S N 3.670 119.459 115.700 0.148 0.000 2.387 179 S HA -0.111 4.357 4.470 -0.004 0.000 0.226 179 S C 1.065 175.760 174.600 0.157 0.000 1.026 179 S CA 0.654 58.953 58.200 0.165 0.000 0.972 179 S CB -0.304 62.946 63.200 0.082 0.000 0.814 179 S HN 0.794 nan 8.310 nan 0.000 0.477 180 N N 1.585 120.336 118.700 0.086 0.000 2.802 180 N HA 0.058 4.796 4.740 -0.004 0.000 0.288 180 N C 0.620 176.125 175.510 -0.007 0.000 1.268 180 N CA -0.547 52.498 53.050 -0.008 0.000 1.035 180 N CB -0.906 37.568 38.487 -0.023 0.000 1.353 180 N HN 0.745 nan 8.380 nan 0.000 0.522 181 Y N -0.370 119.951 120.300 0.035 0.000 2.421 181 Y HA 0.144 4.691 4.550 -0.004 0.000 0.292 181 Y C 1.715 177.648 175.900 0.055 0.000 1.136 181 Y CA 0.511 58.641 58.100 0.050 0.000 1.255 181 Y CB -0.178 38.312 38.460 0.050 0.000 0.991 181 Y HN -0.037 nan 8.280 nan 0.000 0.552 182 K N 0.474 120.545 120.400 -0.549 0.000 2.062 182 K HA -0.198 4.120 4.320 -0.004 0.000 0.205 182 K C 2.282 178.824 176.600 -0.097 0.000 1.051 182 K CA 1.519 57.616 56.287 -0.318 0.000 0.941 182 K CB -0.180 32.081 32.500 -0.398 0.000 0.719 182 K HN 0.493 nan 8.250 nan 0.000 0.440 183 Q N 0.582 120.331 119.800 -0.085 0.000 2.119 183 Q HA -0.150 4.188 4.340 -0.004 0.000 0.201 183 Q C 1.810 177.853 176.000 0.072 0.000 0.972 183 Q CA 1.079 56.875 55.803 -0.012 0.000 0.847 183 Q CB 0.244 28.960 28.738 -0.038 0.000 0.903 183 Q HN 0.170 nan 8.270 nan 0.000 0.433 184 I N 0.551 121.177 120.570 0.093 0.000 2.277 184 I HA -0.111 4.057 4.170 -0.004 0.000 0.243 184 I C 2.439 178.704 176.117 0.246 0.000 1.094 184 I CA 1.179 62.596 61.300 0.195 0.000 1.393 184 I CB -1.821 36.282 38.000 0.172 0.000 1.078 184 I HN 0.220 nan 8.210 nan 0.000 0.417 185 A N 1.180 124.103 122.820 0.171 0.000 1.892 185 A HA -0.295 4.023 4.320 -0.004 0.000 0.218 185 A C 2.349 179.994 177.584 0.101 0.000 1.188 185 A CA 2.427 54.546 52.037 0.136 0.000 0.631 185 A CB -0.603 18.478 19.000 0.134 0.000 0.822 185 A HN 0.312 nan 8.150 nan 0.000 0.447 186 K N -0.978 119.480 120.400 0.097 0.000 2.032 186 K HA -0.216 4.102 4.320 -0.004 0.000 0.209 186 K C 1.668 178.337 176.600 0.114 0.000 1.048 186 K CA 1.955 58.290 56.287 0.080 0.000 0.927 186 K CB -0.701 31.837 32.500 0.062 0.000 0.712 186 K HN 0.628 nan 8.250 nan 0.000 0.441 187 W N 0.693 121.988 121.300 -0.009 0.000 2.363 187 W HA -0.081 4.577 4.660 -0.002 0.000 0.296 187 W C 1.284 177.798 176.519 -0.008 0.000 1.212 187 W CA 1.409 58.748 57.345 -0.010 0.000 1.260 187 W CB -0.129 29.324 29.460 -0.012 0.000 1.131 187 W HN 0.089 nan 8.180 nan 0.000 0.530 188 L N 0.764 121.936 121.223 -0.084 0.000 2.395 188 L HA 0.117 4.455 4.340 -0.004 0.000 0.218 188 L C 1.968 178.713 176.870 -0.210 0.000 1.130 188 L CA 0.937 55.610 54.840 -0.277 0.000 0.826 188 L CB -1.096 40.932 42.059 -0.052 0.000 0.941 188 L HN 0.275 nan 8.230 nan 0.000 0.451 189 G N 0.403 109.135 108.800 -0.114 0.000 2.225 189 G HA2 -0.264 3.693 3.960 -0.004 0.000 0.267 189 G HA3 -0.264 3.693 3.960 -0.004 0.000 0.267 189 G C 0.220 175.100 174.900 -0.032 0.000 1.024 189 G CA 0.293 45.352 45.100 -0.069 0.000 0.784 189 G HN 0.532 nan 8.290 nan 0.000 0.507 190 A N -0.700 122.117 122.820 -0.005 0.000 2.306 190 A HA 0.783 5.100 4.320 -0.004 0.000 0.330 190 A C 0.286 177.899 177.584 0.048 0.000 1.146 190 A CA -0.111 51.939 52.037 0.022 0.000 0.827 190 A CB 0.871 19.890 19.000 0.031 0.000 1.178 190 A HN 0.548 nan 8.150 nan 0.000 0.490 191 E N 2.111 122.343 120.200 0.053 0.000 2.257 191 E HA 0.276 4.624 4.350 -0.004 0.000 0.278 191 E C -2.254 174.401 176.600 0.091 0.000 1.049 191 E CA -1.853 54.587 56.400 0.067 0.000 0.876 191 E CB 0.579 30.313 29.700 0.057 0.000 1.035 191 E HN 0.369 nan 8.360 nan 0.000 0.419 192 P HA 0.043 nan 4.420 nan 0.000 0.275 192 P C -0.887 176.486 177.300 0.121 0.000 1.227 192 P CA -0.231 62.980 63.100 0.185 0.000 0.781 192 P CB 1.027 32.949 31.700 0.369 0.000 0.906 193 V N 1.655 121.604 119.914 0.058 0.000 2.558 193 V HA 0.422 4.540 4.120 -0.004 0.000 0.261 193 V C 0.187 176.238 176.094 -0.071 0.000 0.958 193 V CA -0.813 61.489 62.300 0.004 0.000 0.852 193 V CB 0.880 32.713 31.823 0.015 0.000 1.067 193 V HN 0.687 nan 8.190 nan 0.000 0.468 194 A N 2.020 124.725 122.820 -0.192 0.000 2.289 194 A HA 0.804 5.122 4.320 -0.004 0.000 0.298 194 A C 0.154 177.637 177.584 -0.168 0.000 1.208 194 A CA -0.079 51.767 52.037 -0.319 0.000 0.845 194 A CB 1.169 19.657 19.000 -0.853 0.000 1.125 194 A HN 0.588 nan 8.150 nan 0.000 0.517 195 T N 0.652 115.151 114.554 -0.092 0.000 2.916 195 T HA 0.436 4.784 4.350 -0.004 0.000 0.292 195 T C 0.369 175.078 174.700 0.015 0.000 1.064 195 T CA -0.584 61.507 62.100 -0.015 0.000 1.011 195 T CB 1.068 69.957 68.868 0.036 0.000 1.152 195 T HN 0.525 nan 8.240 nan 0.000 0.510 196 N N 0.444 119.183 118.700 0.064 0.000 2.184 196 N HA 0.159 4.897 4.740 -0.004 0.000 0.206 196 N C -0.576 174.994 175.510 0.100 0.000 1.151 196 N CA -0.296 52.792 53.050 0.063 0.000 0.878 196 N CB 0.221 38.738 38.487 0.051 0.000 1.014 196 N HN 0.622 nan 8.380 nan 0.000 0.512 197 W N 2.340 123.626 121.300 -0.023 0.000 2.170 197 W HA 0.133 4.791 4.660 -0.004 0.000 0.342 197 W C -0.058 176.459 176.519 -0.004 0.000 1.294 197 W CA 0.309 57.645 57.345 -0.015 0.000 1.246 197 W CB 0.442 29.873 29.460 -0.049 0.000 1.156 197 W HN -0.184 nan 8.180 nan 0.000 0.572 198 R N 6.150 126.029 120.500 -1.035 0.000 2.604 198 R HA 0.191 4.529 4.340 -0.004 0.000 0.281 198 R C -1.586 173.774 176.300 -1.567 0.000 1.020 198 R CA -1.536 53.970 56.100 -0.990 0.000 0.899 198 R CB 2.115 32.148 30.300 -0.445 0.000 1.205 198 R HN 0.279 nan 8.270 nan 0.000 0.450 199 P HA -0.063 nan 4.420 nan 0.000 0.225 199 P C -0.047 177.100 177.300 -0.255 0.000 1.148 199 P CA 0.882 63.624 63.100 -0.597 0.000 0.779 199 P CB 0.430 32.037 31.700 -0.155 0.000 0.780 200 V N 1.948 121.707 119.914 -0.258 0.000 2.623 200 V HA 0.297 4.415 4.120 -0.004 0.000 0.304 200 V C -2.445 173.572 176.094 -0.128 0.000 1.054 200 V CA -2.262 59.964 62.300 -0.122 0.000 0.882 200 V CB 2.263 34.055 31.823 -0.052 0.000 1.002 200 V HN -0.122 nan 8.190 nan 0.000 0.424 201 P HA 0.181 nan 4.420 nan 0.000 0.267 201 P C -0.909 176.373 177.300 -0.030 0.000 1.200 201 P CA -0.134 62.932 63.100 -0.058 0.000 0.772 201 P CB 1.092 32.775 31.700 -0.028 0.000 0.855 202 L N 3.976 125.192 121.223 -0.013 0.000 2.365 202 L HA 0.562 4.900 4.340 -0.004 0.000 0.273 202 L C -0.509 176.396 176.870 0.058 0.000 1.000 202 L CA -0.934 53.919 54.840 0.022 0.000 0.819 202 L CB 1.233 43.300 42.059 0.013 0.000 1.284 202 L HN 0.286 nan 8.230 nan 0.000 0.418 203 I N 0.718 121.344 120.570 0.094 0.000 2.406 203 I HA 0.599 4.767 4.170 -0.004 0.000 0.290 203 I C -0.722 175.575 176.117 0.301 0.000 0.999 203 I CA -0.581 60.817 61.300 0.163 0.000 1.124 203 I CB 1.768 39.794 38.000 0.044 0.000 1.289 203 I HN 0.577 nan 8.210 nan 0.000 0.441 204 E N 4.478 124.886 120.200 0.347 0.000 2.156 204 E HA 0.650 4.997 4.350 -0.004 0.000 0.279 204 E C -0.142 176.675 176.600 0.361 0.000 0.965 204 E CA -0.654 55.942 56.400 0.326 0.000 0.789 204 E CB 2.143 32.028 29.700 0.307 0.000 1.098 204 E HN 0.920 nan 8.360 nan 0.000 0.397 205 G N 1.042 109.884 108.800 0.071 0.000 2.658 205 G HA2 0.583 4.541 3.960 -0.004 0.000 0.292 205 G HA3 0.583 4.541 3.960 -0.004 0.000 0.292 205 G C -1.194 173.462 174.900 -0.408 0.000 1.320 205 G CA -0.489 44.388 45.100 -0.372 0.000 0.933 205 G HN 0.330 nan 8.290 nan 0.000 0.476 206 V N 1.113 120.783 119.914 -0.406 0.000 2.525 206 V HA 0.444 4.562 4.120 -0.004 0.000 0.299 206 V C -0.454 175.548 176.094 -0.154 0.000 1.034 206 V CA -0.620 61.486 62.300 -0.323 0.000 0.863 206 V CB 1.508 33.076 31.823 -0.424 0.000 0.999 206 V HN 0.752 nan 8.190 nan 0.000 0.423 207 I N 6.172 126.649 120.570 -0.155 0.000 2.437 207 I HA 0.734 4.901 4.170 -0.004 0.000 0.298 207 I C -1.024 175.154 176.117 0.102 0.000 0.984 207 I CA -0.405 60.840 61.300 -0.092 0.000 1.214 207 I CB 1.285 39.161 38.000 -0.207 0.000 1.365 207 I HN 0.811 nan 8.210 nan 0.000 0.469 208 Y N 5.892 126.225 120.300 0.055 0.000 2.597 208 Y HA 0.767 5.315 4.550 -0.003 0.000 0.340 208 Y C -3.099 172.908 175.900 0.179 0.000 1.097 208 Y CA -2.847 55.313 58.100 0.099 0.000 1.037 208 Y CB 0.759 39.239 38.460 0.033 0.000 1.305 208 Y HN 0.267 nan 8.280 nan 0.000 0.463 209 P HA 0.315 nan 4.420 nan 0.000 0.284 209 P C -1.328 175.963 177.300 -0.016 0.000 1.258 209 P CA -0.231 62.823 63.100 -0.077 0.000 0.824 209 P CB 2.353 34.024 31.700 -0.047 0.000 1.038 210 E N 0.805 120.904 120.200 -0.169 0.000 2.449 210 E HA 0.448 4.796 4.350 -0.004 0.000 0.254 210 E C 0.921 177.458 176.600 -0.105 0.000 0.907 210 E CA -0.974 55.388 56.400 -0.062 0.000 0.840 210 E CB 0.863 30.543 29.700 -0.033 0.000 1.459 210 E HN 0.076 nan 8.360 nan 0.000 0.407 211 R N 0.561 121.028 120.500 -0.055 0.000 2.179 211 R HA -0.158 4.180 4.340 -0.004 0.000 0.238 211 R C 0.359 176.613 176.300 -0.078 0.000 1.119 211 R CA 1.824 57.894 56.100 -0.050 0.000 0.915 211 R CB -0.535 29.750 30.300 -0.024 0.000 0.870 211 R HN 0.315 nan 8.270 nan 0.000 0.432 212 K N 1.508 121.858 120.400 -0.082 0.000 2.419 212 K HA -0.049 4.268 4.320 -0.004 0.000 0.282 212 K C 0.821 177.319 176.600 -0.170 0.000 1.056 212 K CA 0.278 56.514 56.287 -0.084 0.000 1.035 212 K CB 0.684 33.161 32.500 -0.039 0.000 0.921 212 K HN 0.095 nan 8.250 nan 0.000 0.472 213 K N 2.070 122.386 120.400 -0.140 0.000 2.147 213 K HA -0.142 4.176 4.320 -0.004 0.000 0.205 213 K C 0.786 177.223 176.600 -0.272 0.000 1.049 213 K CA 1.330 57.510 56.287 -0.179 0.000 0.936 213 K CB 0.137 32.591 32.500 -0.078 0.000 0.722 213 K HN 0.316 nan 8.250 nan 0.000 0.446 214 K N 0.569 120.800 120.400 -0.282 0.000 2.446 214 K HA 0.094 4.412 4.320 -0.004 0.000 0.203 214 K C -0.354 175.812 176.600 -0.722 0.000 1.027 214 K CA -0.011 56.041 56.287 -0.392 0.000 1.166 214 K CB 0.536 32.837 32.500 -0.332 0.000 0.869 214 K HN 0.117 nan 8.250 nan 0.000 0.504 215 E N 0.211 120.046 120.200 -0.608 0.000 2.195 215 E HA 0.284 4.632 4.350 -0.004 0.000 0.271 215 E C -1.438 174.801 176.600 -0.601 0.000 0.923 215 E CA -0.724 55.431 56.400 -0.409 0.000 0.790 215 E CB 0.985 30.576 29.700 -0.181 0.000 1.155 215 E HN -0.052 nan 8.360 nan 0.000 0.402 216 Y N 1.655 121.869 120.300 -0.142 0.000 2.492 216 Y HA 0.285 4.833 4.550 -0.004 0.000 0.346 216 Y C -0.167 175.592 175.900 -0.234 0.000 0.997 216 Y CA -1.082 56.907 58.100 -0.186 0.000 1.025 216 Y CB 1.822 40.201 38.460 -0.136 0.000 1.263 216 Y HN 0.421 nan 8.280 nan 0.000 0.454 217 N N 1.341 119.824 118.700 -0.362 0.000 2.425 217 N HA 0.501 5.238 4.740 -0.004 0.000 0.268 217 N C -1.670 173.601 175.510 -0.398 0.000 0.991 217 N CA -0.382 52.400 53.050 -0.447 0.000 0.931 217 N CB 1.371 39.446 38.487 -0.687 0.000 1.130 217 N HN 0.380 nan 8.380 nan 0.000 0.493 218 V N 4.955 124.790 119.914 -0.132 0.000 2.370 218 V HA 0.449 4.567 4.120 -0.004 0.000 0.279 218 V C 0.412 176.456 176.094 -0.083 0.000 1.029 218 V CA -0.615 61.590 62.300 -0.158 0.000 0.870 218 V CB 0.754 32.485 31.823 -0.153 0.000 0.984 218 V HN 0.542 nan 8.190 nan 0.000 0.451 219 I N 5.159 125.697 120.570 -0.053 0.000 2.378 219 I HA 0.482 4.650 4.170 -0.004 0.000 0.291 219 I C -0.578 175.569 176.117 0.051 0.000 0.992 219 I CA -0.180 61.194 61.300 0.123 0.000 1.154 219 I CB 1.497 39.691 38.000 0.322 0.000 1.315 219 I HN 0.428 nan 8.210 nan 0.000 0.448 220 F N 4.591 124.689 119.950 0.248 0.000 2.457 220 F HA 0.347 4.872 4.527 -0.003 0.000 0.330 220 F C 1.539 177.440 175.800 0.170 0.000 1.069 220 F CA -0.518 57.634 58.000 0.254 0.000 1.009 220 F CB 0.922 40.014 39.000 0.153 0.000 1.276 220 F HN 0.389 nan 8.300 nan 0.000 0.492 221 K N 0.331 120.989 120.400 0.430 0.000 2.057 221 K HA -0.183 4.134 4.320 -0.004 0.000 0.207 221 K C 0.756 177.384 176.600 0.047 0.000 1.049 221 K CA 1.924 58.319 56.287 0.181 0.000 0.931 221 K CB -0.241 32.423 32.500 0.275 0.000 0.714 221 K HN 0.741 nan 8.250 nan 0.000 0.440 222 D N -0.239 120.230 120.400 0.114 0.000 2.344 222 D HA -0.032 4.606 4.640 -0.004 0.000 0.242 222 D C -0.635 175.696 176.300 0.051 0.000 1.159 222 D CA 0.143 54.178 54.000 0.058 0.000 0.859 222 D CB -0.860 39.971 40.800 0.052 0.000 0.925 222 D HN 0.341 nan 8.370 nan 0.000 0.510 223 N N -1.562 117.165 118.700 0.045 0.000 2.753 223 N HA -0.184 4.553 4.740 -0.004 0.000 0.251 223 N C -0.703 174.875 175.510 0.113 0.000 1.097 223 N CA 1.126 54.203 53.050 0.046 0.000 0.786 223 N CB -1.687 36.801 38.487 0.002 0.000 1.137 223 N HN 0.213 nan 8.380 nan 0.000 0.566 224 T N 0.575 115.234 114.554 0.176 0.000 2.932 224 T HA 0.239 4.587 4.350 -0.004 0.000 0.312 224 T C 0.592 175.487 174.700 0.325 0.000 1.071 224 T CA 0.337 62.560 62.100 0.205 0.000 1.128 224 T CB 1.045 69.989 68.868 0.125 0.000 0.984 224 T HN 0.017 nan 8.240 nan 0.000 0.549 225 T N 3.540 118.245 114.554 0.251 0.000 2.861 225 T HA 0.583 4.930 4.350 -0.004 0.000 0.287 225 T C -0.615 174.225 174.700 0.232 0.000 1.003 225 T CA -0.771 61.472 62.100 0.237 0.000 0.977 225 T CB 1.609 70.569 68.868 0.152 0.000 0.996 225 T HN 0.492 nan 8.240 nan 0.000 0.448 226 K N 2.265 122.810 120.400 0.242 0.000 2.498 226 K HA 0.545 4.863 4.320 -0.004 0.000 0.254 226 K C -1.426 175.268 176.600 0.157 0.000 0.933 226 K CA -0.811 55.614 56.287 0.231 0.000 0.806 226 K CB 1.713 34.447 32.500 0.390 0.000 1.301 226 K HN 0.367 nan 8.250 nan 0.000 0.432 227 K N 1.962 122.439 120.400 0.128 0.000 2.182 227 K HA 0.465 4.783 4.320 -0.004 0.000 0.262 227 K C -0.859 175.822 176.600 0.135 0.000 0.957 227 K CA -0.795 55.554 56.287 0.103 0.000 0.842 227 K CB 1.914 34.458 32.500 0.074 0.000 1.099 227 K HN 0.405 nan 8.250 nan 0.000 0.438 228 V N -1.073 118.936 119.914 0.159 0.000 3.040 228 V HA 0.576 4.694 4.120 -0.004 0.000 0.312 228 V C -1.233 174.988 176.094 0.212 0.000 1.115 228 V CA -0.908 61.496 62.300 0.172 0.000 0.998 228 V CB 1.823 33.761 31.823 0.191 0.000 1.042 228 V HN 0.855 nan 8.190 nan 0.000 0.433 229 H N -0.021 119.104 119.070 0.090 0.000 2.637 229 H HA 0.891 5.445 4.556 -0.003 0.000 0.363 229 H C 0.013 175.382 175.328 0.068 0.000 1.131 229 H CA 0.833 56.937 56.048 0.095 0.000 1.183 229 H CB 2.006 31.791 29.762 0.038 0.000 1.637 229 H HN 1.482 nan 8.280 nan 0.000 0.531 230 G N 2.780 111.583 108.800 0.005 0.000 2.321 230 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.298 230 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.298 230 G C -0.251 174.645 174.900 -0.008 0.000 1.385 230 G CA -0.165 44.931 45.100 -0.006 0.000 0.856 230 G HN 0.596 nan 8.290 nan 0.000 0.584 231 D N -0.527 119.816 120.400 -0.094 0.000 2.116 231 D HA 0.009 4.647 4.640 -0.004 0.000 0.193 231 D C 0.852 177.167 176.300 0.024 0.000 0.998 231 D CA 2.601 56.594 54.000 -0.011 0.000 0.836 231 D CB 0.209 41.000 40.800 -0.015 0.000 0.951 231 D HN 0.687 nan 8.370 nan 0.000 0.449 232 D N -2.764 117.579 120.400 -0.095 0.000 2.652 232 D HA 0.465 5.103 4.640 -0.004 0.000 0.285 232 D C 0.702 176.642 176.300 -0.600 0.000 1.173 232 D CA -0.156 53.734 54.000 -0.183 0.000 0.981 232 D CB 0.640 41.382 40.800 -0.098 0.000 1.440 232 D HN -0.047 nan 8.370 nan 0.000 0.485 233 A N -0.085 122.201 122.820 -0.891 0.000 1.883 233 A HA -0.101 4.216 4.320 -0.004 0.000 0.217 233 A C 2.102 179.459 177.584 -0.378 0.000 1.186 233 A CA 1.654 53.147 52.037 -0.906 0.000 0.624 233 A CB -1.010 17.620 19.000 -0.616 0.000 0.822 233 A HN 0.525 nan 8.150 nan 0.000 0.444 234 I N 0.004 120.433 120.570 -0.236 0.000 2.099 234 I HA -0.270 3.897 4.170 -0.004 0.000 0.239 234 I C 2.364 178.430 176.117 -0.084 0.000 1.066 234 I CA 1.575 62.810 61.300 -0.109 0.000 1.324 234 I CB -0.350 37.607 38.000 -0.072 0.000 1.037 234 I HN 0.325 nan 8.210 nan 0.000 0.401 235 I N 0.092 120.580 120.570 -0.136 0.000 2.226 235 I HA -0.325 3.843 4.170 -0.004 0.000 0.245 235 I C 2.626 178.662 176.117 -0.135 0.000 1.100 235 I CA 1.342 62.548 61.300 -0.156 0.000 1.374 235 I CB -0.621 37.192 38.000 -0.312 0.000 1.057 235 I HN 0.229 nan 8.210 nan 0.000 0.413 236 A N 0.077 122.805 122.820 -0.153 0.000 1.883 236 A HA -0.284 4.034 4.320 -0.004 0.000 0.217 236 A C 2.280 179.870 177.584 0.009 0.000 1.186 236 A CA 1.678 53.672 52.037 -0.072 0.000 0.624 236 A CB -1.022 17.926 19.000 -0.086 0.000 0.822 236 A HN 0.494 nan 8.150 nan 0.000 0.444 237 Y N 0.569 120.818 120.300 -0.085 0.000 2.337 237 Y HA -0.086 4.462 4.550 -0.003 0.000 0.293 237 Y C 2.749 178.658 175.900 0.014 0.000 1.123 237 Y CA 1.785 59.873 58.100 -0.020 0.000 1.201 237 Y CB -0.127 38.312 38.460 -0.035 0.000 1.011 237 Y HN 0.337 nan 8.280 nan 0.000 0.545 238 T N 0.850 115.453 114.554 0.082 0.000 2.652 238 T HA -0.210 4.138 4.350 -0.004 0.000 0.267 238 T C 1.882 176.591 174.700 0.015 0.000 1.039 238 T CA 1.906 64.035 62.100 0.049 0.000 1.153 238 T CB -0.524 68.367 68.868 0.038 0.000 0.863 238 T HN 0.274 nan 8.240 nan 0.000 0.428 239 L N 0.808 122.059 121.223 0.047 0.000 2.275 239 L HA -0.045 4.293 4.340 -0.004 0.000 0.215 239 L C 2.428 179.411 176.870 0.188 0.000 1.119 239 L CA 1.157 56.103 54.840 0.176 0.000 0.790 239 L CB -0.607 41.657 42.059 0.341 0.000 0.919 239 L HN 0.293 nan 8.230 nan 0.000 0.443 240 D N -0.377 120.019 120.400 -0.007 0.000 2.117 240 D HA -0.213 4.425 4.640 -0.004 0.000 0.198 240 D C 2.363 178.591 176.300 -0.122 0.000 0.982 240 D CA 1.397 55.331 54.000 -0.111 0.000 0.828 240 D CB 0.175 40.772 40.800 -0.340 0.000 0.967 240 D HN 0.062 nan 8.370 nan 0.000 0.464 241 S N -1.158 114.440 115.700 -0.170 0.000 2.406 241 S HA 0.006 4.474 4.470 -0.004 0.000 0.228 241 S C 1.982 176.572 174.600 -0.016 0.000 1.020 241 S CA 0.468 58.617 58.200 -0.085 0.000 0.965 241 S CB -0.322 62.858 63.200 -0.032 0.000 0.798 241 S HN 0.324 nan 8.310 nan 0.000 0.488 242 L N 1.754 122.969 121.223 -0.013 0.000 2.275 242 L HA -0.020 4.318 4.340 -0.004 0.000 0.215 242 L C 2.572 179.431 176.870 -0.019 0.000 1.119 242 L CA 1.243 56.058 54.840 -0.041 0.000 0.790 242 L CB -0.523 41.464 42.059 -0.120 0.000 0.919 242 L HN 0.453 nan 8.230 nan 0.000 0.443 243 S N -0.473 115.270 115.700 0.072 0.000 2.522 243 S HA -0.082 4.386 4.470 -0.004 0.000 0.227 243 S C 1.171 175.815 174.600 0.073 0.000 0.986 243 S CA 0.256 58.545 58.200 0.148 0.000 0.929 243 S CB -0.202 63.174 63.200 0.292 0.000 0.769 243 S HN 0.393 nan 8.310 nan 0.000 0.529 244 K N 1.772 122.194 120.400 0.037 0.000 2.965 244 K HA 0.354 4.672 4.320 -0.004 0.000 0.216 244 K C 0.039 176.655 176.600 0.025 0.000 1.164 244 K CA -0.219 56.081 56.287 0.022 0.000 1.153 244 K CB -0.231 32.274 32.500 0.008 0.000 1.045 244 K HN 0.176 nan 8.250 nan 0.000 0.460 245 N N 0.802 119.520 118.700 0.030 0.000 2.693 245 N HA -0.163 4.574 4.740 -0.004 0.000 0.249 245 N C -0.121 175.434 175.510 0.075 0.000 1.119 245 N CA 1.018 54.099 53.050 0.052 0.000 0.717 245 N CB -0.924 37.610 38.487 0.078 0.000 1.071 245 N HN 0.583 nan 8.380 nan 0.000 0.555 246 G N -0.632 108.190 108.800 0.037 0.000 2.537 246 G HA2 0.498 4.455 3.960 -0.004 0.000 0.273 246 G HA3 0.498 4.455 3.960 -0.004 0.000 0.273 246 G C -0.486 174.405 174.900 -0.015 0.000 1.189 246 G CA -0.411 44.711 45.100 0.036 0.000 0.881 246 G HN 0.340 nan 8.290 nan 0.000 0.535 247 Q N -1.126 118.656 119.800 -0.030 0.000 2.345 247 Q HA 0.553 4.891 4.340 -0.004 0.000 0.268 247 Q C -1.098 174.948 176.000 0.077 0.000 1.054 247 Q CA -0.744 55.011 55.803 -0.080 0.000 0.835 247 Q CB 2.846 31.371 28.738 -0.355 0.000 1.339 247 Q HN 0.305 nan 8.270 nan 0.000 0.447 248 V N 2.882 122.888 119.914 0.154 0.000 2.540 248 V HA 0.454 4.572 4.120 -0.004 0.000 0.302 248 V C -0.643 175.555 176.094 0.173 0.000 1.035 248 V CA -0.728 61.668 62.300 0.160 0.000 0.873 248 V CB 1.759 33.644 31.823 0.104 0.000 0.992 248 V HN 0.633 nan 8.190 nan 0.000 0.428 249 L N 4.764 126.033 121.223 0.077 0.000 2.287 249 L HA 0.617 4.955 4.340 -0.004 0.000 0.287 249 L C -0.754 175.984 176.870 -0.221 0.000 1.022 249 L CA -0.551 54.189 54.840 -0.167 0.000 0.814 249 L CB 1.877 43.794 42.059 -0.235 0.000 1.217 249 L HN 0.438 nan 8.230 nan 0.000 0.420 250 V N 4.211 123.940 119.914 -0.307 0.000 2.384 250 V HA 0.366 4.484 4.120 -0.004 0.000 0.287 250 V C -0.420 175.461 176.094 -0.356 0.000 1.020 250 V CA -0.464 61.713 62.300 -0.205 0.000 0.850 250 V CB 1.370 33.141 31.823 -0.087 0.000 0.987 250 V HN 0.377 nan 8.190 nan 0.000 0.436 251 F N 5.162 125.102 119.950 -0.017 0.000 2.405 251 F HA 0.639 5.163 4.527 -0.004 0.000 0.355 251 F C 0.727 176.520 175.800 -0.012 0.000 1.121 251 F CA -0.450 57.541 58.000 -0.016 0.000 1.112 251 F CB 1.019 40.002 39.000 -0.028 0.000 1.126 251 F HN 0.321 nan 8.300 nan 0.000 0.481 252 R N 1.449 122.040 120.500 0.152 0.000 2.828 252 R HA 0.315 4.652 4.340 -0.004 0.000 0.264 252 R C 0.391 176.754 176.300 0.104 0.000 1.022 252 R CA -0.903 55.254 56.100 0.095 0.000 1.021 252 R CB 0.823 31.155 30.300 0.053 0.000 1.163 252 R HN 0.454 nan 8.270 nan 0.000 0.494 253 N N -0.465 118.269 118.700 0.057 0.000 2.333 253 N HA -0.058 4.680 4.740 -0.004 0.000 0.178 253 N C 0.076 175.603 175.510 0.029 0.000 1.018 253 N CA 0.642 53.717 53.050 0.042 0.000 0.882 253 N CB 0.344 38.841 38.487 0.017 0.000 0.984 253 N HN 0.599 nan 8.380 nan 0.000 0.434 254 S N -1.203 114.506 115.700 0.014 0.000 2.648 254 S HA 0.441 4.909 4.470 -0.004 0.000 0.305 254 S C 0.856 175.434 174.600 -0.037 0.000 1.094 254 S CA -0.835 57.354 58.200 -0.019 0.000 0.983 254 S CB 2.316 65.498 63.200 -0.031 0.000 1.101 254 S HN 0.025 nan 8.310 nan 0.000 0.514 255 R N 1.024 121.447 120.500 -0.128 0.000 2.073 255 R HA -0.031 4.307 4.340 -0.004 0.000 0.234 255 R C 2.035 178.238 176.300 -0.162 0.000 1.134 255 R CA 1.650 57.584 56.100 -0.278 0.000 0.952 255 R CB -0.443 29.457 30.300 -0.667 0.000 0.850 255 R HN 0.670 nan 8.270 nan 0.000 0.433 256 K N 0.012 120.328 120.400 -0.139 0.000 2.057 256 K HA -0.129 4.188 4.320 -0.004 0.000 0.207 256 K C 2.041 178.595 176.600 -0.077 0.000 1.049 256 K CA 1.306 57.529 56.287 -0.107 0.000 0.931 256 K CB -0.123 32.329 32.500 -0.079 0.000 0.714 256 K HN -0.006 nan 8.250 nan 0.000 0.440 257 M N 0.834 120.406 119.600 -0.047 0.000 2.159 257 M HA -0.080 4.398 4.480 -0.004 0.000 0.263 257 M C 1.935 178.228 176.300 -0.012 0.000 1.063 257 M CA 1.355 56.641 55.300 -0.023 0.000 1.110 257 M CB -0.329 32.266 32.600 -0.009 0.000 1.374 257 M HN 0.154 nan 8.290 nan 0.000 0.411 258 A N -0.749 122.074 122.820 0.005 0.000 1.898 258 A HA -0.156 4.162 4.320 -0.004 0.000 0.216 258 A C 2.032 179.611 177.584 -0.009 0.000 1.181 258 A CA 1.754 53.817 52.037 0.044 0.000 0.620 258 A CB -0.707 18.380 19.000 0.144 0.000 0.819 258 A HN 0.607 nan 8.150 nan 0.000 0.442 259 E N 0.307 120.416 120.200 -0.151 0.000 2.031 259 E HA -0.172 4.175 4.350 -0.004 0.000 0.193 259 E C 2.445 178.965 176.600 -0.134 0.000 0.994 259 E CA 1.723 57.919 56.400 -0.339 0.000 0.800 259 E CB -0.213 29.194 29.700 -0.488 0.000 0.752 259 E HN 0.788 nan 8.360 nan 0.000 0.447 260 S N 0.296 115.947 115.700 -0.082 0.000 2.383 260 S HA -0.118 4.349 4.470 -0.004 0.000 0.227 260 S C 2.152 176.752 174.600 0.000 0.000 1.026 260 S CA 1.432 59.613 58.200 -0.033 0.000 0.981 260 S CB -0.571 62.614 63.200 -0.025 0.000 0.818 260 S HN 0.090 nan 8.310 nan 0.000 0.472 261 T N 2.726 117.281 114.554 0.002 0.000 2.788 261 T HA 0.053 4.400 4.350 -0.004 0.000 0.268 261 T C 2.186 176.907 174.700 0.036 0.000 1.044 261 T CA 1.420 63.531 62.100 0.018 0.000 1.139 261 T CB -0.797 68.077 68.868 0.011 0.000 0.867 261 T HN 0.641 nan 8.240 nan 0.000 0.454 262 A N 1.104 123.950 122.820 0.043 0.000 1.902 262 A HA 0.017 4.335 4.320 -0.004 0.000 0.217 262 A C 2.226 179.855 177.584 0.075 0.000 1.181 262 A CA 1.177 53.258 52.037 0.074 0.000 0.623 262 A CB -0.764 18.316 19.000 0.134 0.000 0.818 262 A HN 0.406 nan 8.150 nan 0.000 0.443 263 L N -0.153 121.105 121.223 0.059 0.000 2.093 263 L HA -0.088 4.250 4.340 -0.004 0.000 0.208 263 L C 2.280 179.193 176.870 0.072 0.000 1.085 263 L CA 2.352 57.226 54.840 0.057 0.000 0.755 263 L CB -0.421 41.658 42.059 0.034 0.000 0.904 263 L HN 0.439 nan 8.230 nan 0.000 0.435 264 K N -0.359 120.091 120.400 0.083 0.000 2.057 264 K HA -0.164 4.154 4.320 -0.004 0.000 0.207 264 K C 2.086 178.815 176.600 0.216 0.000 1.049 264 K CA 1.892 58.260 56.287 0.134 0.000 0.931 264 K CB -0.201 32.362 32.500 0.106 0.000 0.714 264 K HN 0.392 nan 8.250 nan 0.000 0.440 265 I N 0.983 121.644 120.570 0.152 0.000 2.252 265 I HA -0.237 3.931 4.170 -0.004 0.000 0.245 265 I C 2.491 178.709 176.117 0.168 0.000 1.102 265 I CA 1.058 62.455 61.300 0.161 0.000 1.385 265 I CB -0.394 37.657 38.000 0.084 0.000 1.064 265 I HN 0.204 nan 8.210 nan 0.000 0.414 266 A N 1.340 124.225 122.820 0.109 0.000 1.927 266 A HA -0.291 4.026 4.320 -0.004 0.000 0.220 266 A C 2.046 179.668 177.584 0.063 0.000 1.185 266 A CA 2.336 54.417 52.037 0.073 0.000 0.639 266 A CB -0.894 18.140 19.000 0.056 0.000 0.820 266 A HN 0.464 nan 8.150 nan 0.000 0.451 267 N N -1.234 117.501 118.700 0.058 0.000 2.192 267 N HA -0.178 4.560 4.740 -0.004 0.000 0.188 267 N C 0.869 176.302 175.510 -0.127 0.000 1.013 267 N CA 1.563 54.578 53.050 -0.058 0.000 0.863 267 N CB -0.519 37.890 38.487 -0.130 0.000 0.990 267 N HN 0.714 nan 8.380 nan 0.000 0.430 268 Y N -0.234 120.098 120.300 0.054 0.000 2.493 268 Y HA 0.259 4.807 4.550 -0.004 0.000 0.275 268 Y C 1.268 177.213 175.900 0.075 0.000 1.183 268 Y CA -0.124 58.032 58.100 0.092 0.000 1.258 268 Y CB 0.167 38.697 38.460 0.116 0.000 1.108 268 Y HN -0.078 nan 8.280 nan 0.000 0.521 269 M N 0.017 119.681 119.600 0.106 0.000 2.654 269 M HA 0.024 4.502 4.480 -0.004 0.000 0.217 269 M C 0.582 176.852 176.300 -0.050 0.000 1.183 269 M CA 0.302 55.589 55.300 -0.023 0.000 0.991 269 M CB -0.959 31.623 32.600 -0.030 0.000 1.749 269 M HN 0.344 nan 8.290 nan 0.000 0.475 270 N N 1.660 120.398 118.700 0.063 0.000 2.061 270 N HA -0.194 4.543 4.740 -0.004 0.000 0.193 270 N C 1.284 176.856 175.510 0.104 0.000 1.030 270 N CA 1.615 54.723 53.050 0.097 0.000 0.856 270 N CB -0.479 38.107 38.487 0.164 0.000 1.023 270 N HN 0.581 nan 8.380 nan 0.000 0.424 271 F N -0.950 119.022 119.950 0.036 0.000 2.746 271 F HA 0.429 4.953 4.527 -0.004 0.000 0.297 271 F C 0.079 175.892 175.800 0.021 0.000 1.113 271 F CA -0.612 57.404 58.000 0.027 0.000 1.367 271 F CB -0.514 38.504 39.000 0.030 0.000 1.111 271 F HN -0.314 nan 8.300 nan 0.000 0.590 272 V N 1.958 121.507 119.914 -0.608 0.000 2.555 272 V HA 0.144 4.262 4.120 -0.004 0.000 0.286 272 V C 0.517 176.505 176.094 -0.176 0.000 1.044 272 V CA -0.685 61.343 62.300 -0.452 0.000 1.026 272 V CB 0.681 32.221 31.823 -0.472 0.000 0.981 272 V HN 0.302 nan 8.190 nan 0.000 0.480 273 S N 6.417 122.055 115.700 -0.103 0.000 2.510 273 S HA 0.541 5.009 4.470 -0.004 0.000 0.279 273 S C -0.300 174.263 174.600 -0.061 0.000 1.284 273 S CA -0.337 57.832 58.200 -0.052 0.000 1.059 273 S CB 0.068 63.254 63.200 -0.022 0.000 0.901 273 S HN 0.487 nan 8.310 nan 0.000 0.491 274 L N 2.294 123.488 121.223 -0.048 0.000 2.386 274 L HA 0.411 4.749 4.340 -0.004 0.000 0.271 274 L C -0.174 176.675 176.870 -0.035 0.000 0.993 274 L CA -0.902 53.910 54.840 -0.047 0.000 0.819 274 L CB 1.582 43.612 42.059 -0.047 0.000 1.294 274 L HN 0.439 nan 8.230 nan 0.000 0.414 275 D N 1.850 122.228 120.400 -0.038 0.000 2.455 275 D HA -0.015 4.623 4.640 -0.004 0.000 0.234 275 D C 0.843 177.127 176.300 -0.027 0.000 1.224 275 D CA 0.300 54.281 54.000 -0.031 0.000 0.999 275 D CB 0.918 41.695 40.800 -0.039 0.000 1.072 275 D HN 0.508 nan 8.370 nan 0.000 0.514 276 E N 2.438 122.626 120.200 -0.021 0.000 2.150 276 E HA -0.133 4.215 4.350 -0.004 0.000 0.193 276 E C 1.206 177.798 176.600 -0.015 0.000 0.985 276 E CA 0.975 57.365 56.400 -0.017 0.000 0.814 276 E CB 0.179 29.871 29.700 -0.013 0.000 0.752 276 E HN 0.351 nan 8.360 nan 0.000 0.466 277 N N 0.054 118.745 118.700 -0.014 0.000 2.188 277 N HA -0.100 4.638 4.740 -0.004 0.000 0.184 277 N C 1.429 176.930 175.510 -0.015 0.000 1.018 277 N CA 1.433 54.475 53.050 -0.013 0.000 0.858 277 N CB -0.482 37.998 38.487 -0.012 0.000 0.989 277 N HN 0.247 nan 8.380 nan 0.000 0.426 278 A N 0.403 123.212 122.820 -0.019 0.000 2.016 278 A HA 0.090 4.408 4.320 -0.004 0.000 0.217 278 A C 2.241 179.812 177.584 -0.021 0.000 1.162 278 A CA 0.566 52.590 52.037 -0.022 0.000 0.662 278 A CB -0.432 18.550 19.000 -0.030 0.000 0.812 278 A HN 0.174 nan 8.150 nan 0.000 0.450 279 L N 0.225 121.436 121.223 -0.021 0.000 2.095 279 L HA -0.135 4.203 4.340 -0.004 0.000 0.204 279 L C 3.022 179.884 176.870 -0.014 0.000 1.080 279 L CA 1.430 56.260 54.840 -0.018 0.000 0.759 279 L CB -0.424 41.624 42.059 -0.018 0.000 0.914 279 L HN 0.567 nan 8.230 nan 0.000 0.439 280 S N -0.483 115.210 115.700 -0.012 0.000 2.400 280 S HA -0.255 4.213 4.470 -0.004 0.000 0.232 280 S C 1.799 176.394 174.600 -0.010 0.000 1.025 280 S CA 1.409 59.604 58.200 -0.009 0.000 0.993 280 S CB -0.359 62.836 63.200 -0.008 0.000 0.808 280 S HN 0.398 nan 8.310 nan 0.000 0.478 281 E N 1.992 122.185 120.200 -0.011 0.000 2.058 281 E HA -0.094 4.254 4.350 -0.004 0.000 0.194 281 E C 1.794 178.387 176.600 -0.012 0.000 0.997 281 E CA 1.682 58.075 56.400 -0.011 0.000 0.801 281 E CB -0.679 29.014 29.700 -0.013 0.000 0.746 281 E HN 0.694 nan 8.360 nan 0.000 0.450 282 I N 0.312 120.874 120.570 -0.013 0.000 2.226 282 I HA -0.261 3.907 4.170 -0.004 0.000 0.245 282 I C 2.361 178.469 176.117 -0.014 0.000 1.100 282 I CA 0.851 62.142 61.300 -0.014 0.000 1.374 282 I CB -0.305 37.686 38.000 -0.015 0.000 1.057 282 I HN 0.176 nan 8.210 nan 0.000 0.413 283 L N 0.489 121.704 121.223 -0.012 0.000 2.079 283 L HA -0.237 4.101 4.340 -0.004 0.000 0.210 283 L C 2.589 179.453 176.870 -0.009 0.000 1.081 283 L CA 1.559 56.393 54.840 -0.011 0.000 0.752 283 L CB -0.594 41.461 42.059 -0.008 0.000 0.896 283 L HN 0.230 nan 8.230 nan 0.000 0.433 284 K N -0.204 120.191 120.400 -0.008 0.000 2.032 284 K HA -0.222 4.096 4.320 -0.004 0.000 0.209 284 K C 2.165 178.761 176.600 -0.007 0.000 1.048 284 K CA 1.551 57.834 56.287 -0.007 0.000 0.927 284 K CB -0.094 32.402 32.500 -0.006 0.000 0.712 284 K HN 0.393 nan 8.250 nan 0.000 0.441 285 Q N 0.378 120.172 119.800 -0.010 0.000 2.167 285 Q HA -0.151 4.187 4.340 -0.004 0.000 0.202 285 Q C 2.146 178.138 176.000 -0.013 0.000 0.970 285 Q CA 0.887 56.684 55.803 -0.011 0.000 0.855 285 Q CB -0.110 28.620 28.738 -0.012 0.000 0.911 285 Q HN 0.192 nan 8.270 nan 0.000 0.438 286 L N 1.401 122.614 121.223 -0.016 0.000 1.994 286 L HA -0.206 4.132 4.340 -0.004 0.000 0.208 286 L C 1.806 178.667 176.870 -0.014 0.000 1.071 286 L CA 2.156 56.984 54.840 -0.021 0.000 0.745 286 L CB -0.563 41.482 42.059 -0.025 0.000 0.892 286 L HN 0.094 nan 8.230 nan 0.000 0.431 287 D N -0.671 119.724 120.400 -0.008 0.000 2.178 287 D HA -0.177 4.460 4.640 -0.004 0.000 0.201 287 D C 1.356 177.656 176.300 -0.001 0.000 0.980 287 D CA 1.227 55.225 54.000 -0.003 0.000 0.842 287 D CB -0.084 40.716 40.800 -0.001 0.000 0.948 287 D HN 0.500 nan 8.370 nan 0.000 0.472 288 D N -0.448 119.951 120.400 -0.003 0.000 2.339 288 D HA 0.052 4.690 4.640 -0.004 0.000 0.217 288 D C 0.407 176.707 176.300 -0.001 0.000 1.050 288 D CA -0.120 53.880 54.000 -0.000 0.000 0.856 288 D CB 0.386 41.185 40.800 -0.001 0.000 0.922 288 D HN 0.333 nan 8.370 nan 0.000 0.518 289 I N 1.621 122.189 120.570 -0.004 0.000 2.505 289 I HA -0.053 4.115 4.170 -0.004 0.000 0.287 289 I C 1.480 177.598 176.117 0.003 0.000 1.104 289 I CA 0.365 61.662 61.300 -0.005 0.000 1.387 289 I CB 0.796 38.788 38.000 -0.014 0.000 1.404 289 I HN -0.194 nan 8.210 nan 0.000 0.528 290 E N 3.930 124.135 120.200 0.008 0.000 2.340 290 E HA -0.021 4.327 4.350 -0.004 0.000 0.194 290 E C -0.017 176.596 176.600 0.023 0.000 0.996 290 E CA 0.360 56.770 56.400 0.017 0.000 0.869 290 E CB 0.384 30.096 29.700 0.021 0.000 0.835 290 E HN 0.496 nan 8.360 nan 0.000 0.493 291 E N 1.208 121.417 120.200 0.015 0.000 2.028 291 E HA 0.322 4.670 4.350 -0.004 0.000 0.275 291 E C -0.060 176.541 176.600 0.001 0.000 1.171 291 E CA -0.113 56.295 56.400 0.014 0.000 1.186 291 E CB 0.559 30.265 29.700 0.009 0.000 1.256 291 E HN 0.198 nan 8.360 nan 0.000 0.474 292 G N -0.639 108.165 108.800 0.008 0.000 2.387 292 G HA2 0.431 4.389 3.960 -0.004 0.000 0.294 292 G HA3 0.431 4.389 3.960 -0.004 0.000 0.294 292 G C -0.372 174.538 174.900 0.018 0.000 1.509 292 G CA -0.417 44.683 45.100 0.001 0.000 0.806 292 G HN 0.290 nan 8.290 nan 0.000 0.546 293 G N -0.406 108.408 108.800 0.023 0.000 2.503 293 G HA2 0.465 4.423 3.960 -0.004 0.000 0.257 293 G HA3 0.465 4.423 3.960 -0.004 0.000 0.257 293 G C 1.128 176.048 174.900 0.034 0.000 1.214 293 G CA 0.682 45.804 45.100 0.037 0.000 0.839 293 G HN 0.997 nan 8.290 nan 0.000 0.559 294 S N 0.952 116.674 115.700 0.036 0.000 2.368 294 S HA -0.116 4.352 4.470 -0.004 0.000 0.224 294 S C 1.745 176.367 174.600 0.037 0.000 1.029 294 S CA 1.395 59.614 58.200 0.032 0.000 0.988 294 S CB -0.124 63.093 63.200 0.030 0.000 0.838 294 S HN 0.639 nan 8.310 nan 0.000 0.462 295 D N 1.364 121.791 120.400 0.045 0.000 2.117 295 D HA -0.045 4.592 4.640 -0.004 0.000 0.198 295 D C 2.004 178.349 176.300 0.074 0.000 0.982 295 D CA 0.900 54.932 54.000 0.052 0.000 0.828 295 D CB -0.332 40.498 40.800 0.050 0.000 0.967 295 D HN 0.518 nan 8.370 nan 0.000 0.464 296 E N 0.922 121.173 120.200 0.084 0.000 2.023 296 E HA -0.192 4.156 4.350 -0.004 0.000 0.196 296 E C 2.033 178.672 176.600 0.066 0.000 1.003 296 E CA 1.078 57.544 56.400 0.110 0.000 0.809 296 E CB -0.043 29.702 29.700 0.075 0.000 0.755 296 E HN 0.225 nan 8.360 nan 0.000 0.449 297 K N 0.843 121.261 120.400 0.029 0.000 2.044 297 K HA -0.256 4.061 4.320 -0.004 0.000 0.210 297 K C 2.281 178.895 176.600 0.025 0.000 1.049 297 K CA 1.673 57.966 56.287 0.010 0.000 0.927 297 K CB -0.168 32.336 32.500 0.007 0.000 0.713 297 K HN 0.156 nan 8.250 nan 0.000 0.443 298 E N 0.700 120.922 120.200 0.037 0.000 2.058 298 E HA -0.236 4.111 4.350 -0.004 0.000 0.194 298 E C 2.010 178.643 176.600 0.054 0.000 0.997 298 E CA 1.072 57.495 56.400 0.038 0.000 0.801 298 E CB 0.012 29.735 29.700 0.037 0.000 0.746 298 E HN 0.092 nan 8.360 nan 0.000 0.450 299 L N 0.936 122.211 121.223 0.086 0.000 2.017 299 L HA -0.125 4.213 4.340 -0.004 0.000 0.208 299 L C 2.250 179.207 176.870 0.145 0.000 1.073 299 L CA 1.472 56.390 54.840 0.129 0.000 0.745 299 L CB -0.675 41.497 42.059 0.189 0.000 0.894 299 L HN 0.254 nan 8.230 nan 0.000 0.432 300 L N -0.673 120.615 121.223 0.108 0.000 2.083 300 L HA -0.238 4.099 4.340 -0.004 0.000 0.209 300 L C 2.599 179.476 176.870 0.012 0.000 1.083 300 L CA 1.458 56.308 54.840 0.017 0.000 0.752 300 L CB -0.574 41.419 42.059 -0.111 0.000 0.899 300 L HN 0.309 nan 8.230 nan 0.000 0.433 301 K N -0.204 120.205 120.400 0.015 0.000 2.032 301 K HA -0.246 4.071 4.320 -0.004 0.000 0.209 301 K C 2.384 178.995 176.600 0.019 0.000 1.048 301 K CA 1.887 58.180 56.287 0.011 0.000 0.927 301 K CB -0.196 32.311 32.500 0.011 0.000 0.712 301 K HN 0.092 nan 8.250 nan 0.000 0.441 302 S N 0.343 116.062 115.700 0.032 0.000 2.387 302 S HA -0.124 4.343 4.470 -0.004 0.000 0.230 302 S C 1.837 176.459 174.600 0.036 0.000 1.035 302 S CA 1.353 59.573 58.200 0.033 0.000 1.014 302 S CB -0.142 63.083 63.200 0.041 0.000 0.836 302 S HN 0.344 nan 8.310 nan 0.000 0.466 303 L N 0.141 121.393 121.223 0.048 0.000 2.145 303 L HA 0.179 4.517 4.340 -0.004 0.000 0.201 303 L C 2.266 179.154 176.870 0.030 0.000 1.075 303 L CA 0.695 55.566 54.840 0.053 0.000 0.773 303 L CB -0.421 41.693 42.059 0.092 0.000 0.936 303 L HN 0.269 nan 8.230 nan 0.000 0.451 304 I N 0.243 120.822 120.570 0.015 0.000 2.361 304 I HA -0.251 3.917 4.170 -0.004 0.000 0.251 304 I C 2.499 178.617 176.117 0.001 0.000 1.133 304 I CA 1.427 62.729 61.300 0.003 0.000 1.413 304 I CB -0.327 37.667 38.000 -0.011 0.000 1.073 304 I HN 0.309 nan 8.210 nan 0.000 0.424 305 S N 0.102 115.804 115.700 0.003 0.000 2.547 305 S HA -0.136 4.332 4.470 -0.004 0.000 0.235 305 S C 1.698 176.297 174.600 -0.002 0.000 0.980 305 S CA 0.773 58.973 58.200 -0.001 0.000 0.941 305 S CB -0.174 63.027 63.200 0.001 0.000 0.763 305 S HN 0.291 nan 8.310 nan 0.000 0.532 306 K N 0.566 120.967 120.400 0.002 0.000 2.387 306 K HA 0.397 4.715 4.320 -0.004 0.000 0.203 306 K C 0.978 177.575 176.600 -0.006 0.000 1.030 306 K CA 0.427 56.713 56.287 -0.001 0.000 1.099 306 K CB 0.193 32.699 32.500 0.010 0.000 0.863 306 K HN 0.386 nan 8.250 nan 0.000 0.529 307 G N 0.022 108.820 108.800 -0.004 0.000 2.132 307 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.234 307 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.234 307 G C -0.323 174.590 174.900 0.020 0.000 0.989 307 G CA 0.225 45.321 45.100 -0.007 0.000 0.676 307 G HN 0.119 nan 8.290 nan 0.000 0.522 308 V N -0.400 119.533 119.914 0.032 0.000 3.001 308 V HA 1.006 5.124 4.120 -0.004 0.000 0.314 308 V C 0.305 176.425 176.094 0.044 0.000 1.099 308 V CA -0.154 62.176 62.300 0.051 0.000 0.989 308 V CB 1.943 33.800 31.823 0.055 0.000 1.040 308 V HN 1.669 nan 8.190 nan 0.000 0.434 309 A N 1.992 124.837 122.820 0.042 0.000 2.612 309 A HA 0.862 5.180 4.320 -0.004 0.000 0.293 309 A C -1.546 176.057 177.584 0.031 0.000 1.075 309 A CA -0.616 51.417 52.037 -0.008 0.000 0.680 309 A CB 1.536 20.488 19.000 -0.078 0.000 1.279 309 A HN 1.253 nan 8.150 nan 0.000 0.411 310 Y N 0.027 120.304 120.300 -0.038 0.000 2.568 310 Y HA 0.890 5.438 4.550 -0.003 0.000 0.327 310 Y C -0.108 175.757 175.900 -0.059 0.000 1.163 310 Y CA -0.904 57.171 58.100 -0.042 0.000 1.219 310 Y CB 1.184 39.634 38.460 -0.017 0.000 1.308 310 Y HN 0.819 nan 8.280 nan 0.000 0.503 311 H N 2.116 121.154 119.070 -0.053 0.000 3.149 311 H HA 0.352 4.906 4.556 -0.004 0.000 0.334 311 H C -1.846 173.493 175.328 0.020 0.000 1.000 311 H CA -0.610 55.339 56.048 -0.165 0.000 1.415 311 H CB 1.016 30.677 29.762 -0.170 0.000 1.819 311 H HN 1.115 nan 8.280 nan 0.000 0.486 312 H N 1.613 120.679 119.070 -0.006 0.000 2.960 312 H HA 0.581 5.135 4.556 -0.003 0.000 0.323 312 H C -0.063 175.228 175.328 -0.062 0.000 1.326 312 H CA -0.266 55.824 56.048 0.069 0.000 1.124 312 H CB 0.653 30.492 29.762 0.130 0.000 1.853 312 H HN 0.330 nan 8.280 nan 0.000 0.536 313 A N 0.127 123.094 122.820 0.246 0.000 2.209 313 A HA 0.152 4.469 4.320 -0.004 0.000 0.212 313 A C 2.109 179.791 177.584 0.163 0.000 1.158 313 A CA 1.001 53.117 52.037 0.130 0.000 0.742 313 A CB -1.392 17.669 19.000 0.101 0.000 0.790 313 A HN 0.886 nan 8.150 nan 0.000 0.472 314 G N -0.243 108.800 108.800 0.405 0.000 2.443 314 G HA2 0.066 4.024 3.960 -0.004 0.000 0.219 314 G HA3 0.066 4.024 3.960 -0.004 0.000 0.219 314 G C 0.698 175.704 174.900 0.177 0.000 1.131 314 G CA 0.142 45.426 45.100 0.306 0.000 0.775 314 G HN 0.445 nan 8.290 nan 0.000 0.547 315 L N 1.946 123.202 121.223 0.054 0.000 2.397 315 L HA 0.278 4.615 4.340 -0.004 0.000 0.271 315 L C 1.098 177.916 176.870 -0.086 0.000 1.148 315 L CA -0.663 54.119 54.840 -0.096 0.000 0.825 315 L CB 1.262 43.139 42.059 -0.304 0.000 1.117 315 L HN 0.197 nan 8.230 nan 0.000 0.456 316 S N 1.791 117.448 115.700 -0.072 0.000 2.584 316 S HA 0.038 4.506 4.470 -0.004 0.000 0.270 316 S C 0.978 175.532 174.600 -0.078 0.000 1.346 316 S CA -0.460 57.704 58.200 -0.061 0.000 1.018 316 S CB 1.113 64.287 63.200 -0.044 0.000 0.899 316 S HN 0.749 nan 8.310 nan 0.000 0.542 317 K N 1.340 121.707 120.400 -0.055 0.000 2.020 317 K HA -0.216 4.101 4.320 -0.004 0.000 0.212 317 K C 2.275 178.848 176.600 -0.044 0.000 1.050 317 K CA 1.650 57.910 56.287 -0.045 0.000 0.929 317 K CB -1.006 31.478 32.500 -0.028 0.000 0.714 317 K HN 0.808 nan 8.250 nan 0.000 0.443 318 A N 1.151 123.948 122.820 -0.039 0.000 1.940 318 A HA -0.152 4.166 4.320 -0.004 0.000 0.219 318 A C 2.151 179.704 177.584 -0.050 0.000 1.176 318 A CA 1.497 53.514 52.037 -0.033 0.000 0.631 318 A CB -0.566 18.419 19.000 -0.024 0.000 0.814 318 A HN 0.359 nan 8.150 nan 0.000 0.446 319 L N -1.468 119.710 121.223 -0.076 0.000 2.072 319 L HA -0.142 4.196 4.340 -0.004 0.000 0.205 319 L C 2.883 179.670 176.870 -0.138 0.000 1.079 319 L CA 1.301 56.075 54.840 -0.111 0.000 0.752 319 L CB -0.457 41.518 42.059 -0.140 0.000 0.906 319 L HN 0.345 nan 8.230 nan 0.000 0.436 320 R N -0.021 120.383 120.500 -0.160 0.000 2.081 320 R HA -0.165 4.172 4.340 -0.004 0.000 0.235 320 R C 1.889 178.185 176.300 -0.008 0.000 1.131 320 R CA 1.544 57.550 56.100 -0.156 0.000 0.960 320 R CB -0.352 29.819 30.300 -0.214 0.000 0.856 320 R HN 0.358 nan 8.270 nan 0.000 0.436 321 D N 0.821 121.215 120.400 -0.010 0.000 2.117 321 D HA -0.177 4.461 4.640 -0.004 0.000 0.197 321 D C 1.847 178.151 176.300 0.006 0.000 0.987 321 D CA 0.891 54.898 54.000 0.012 0.000 0.829 321 D CB -0.172 40.630 40.800 0.004 0.000 0.961 321 D HN 0.175 nan 8.370 nan 0.000 0.460 322 L N 0.166 121.380 121.223 -0.015 0.000 2.056 322 L HA -0.088 4.250 4.340 -0.004 0.000 0.207 322 L C 2.162 179.028 176.870 -0.007 0.000 1.078 322 L CA 0.963 55.794 54.840 -0.015 0.000 0.749 322 L CB -0.115 41.925 42.059 -0.031 0.000 0.901 322 L HN -0.068 nan 8.230 nan 0.000 0.433 323 I N 0.139 120.697 120.570 -0.020 0.000 2.142 323 I HA -0.312 3.856 4.170 -0.004 0.000 0.240 323 I C 2.460 178.603 176.117 0.044 0.000 1.078 323 I CA 1.741 63.037 61.300 -0.006 0.000 1.343 323 I CB -0.435 37.539 38.000 -0.043 0.000 1.046 323 I HN 0.293 nan 8.210 nan 0.000 0.405 324 E N 0.309 120.541 120.200 0.052 0.000 2.070 324 E HA -0.310 4.038 4.350 -0.004 0.000 0.197 324 E C 2.070 178.722 176.600 0.086 0.000 1.004 324 E CA 1.659 58.088 56.400 0.048 0.000 0.805 324 E CB -0.101 29.627 29.700 0.046 0.000 0.744 324 E HN 0.332 nan 8.360 nan 0.000 0.451 325 E N 0.176 120.410 120.200 0.056 0.000 2.106 325 E HA -0.092 4.256 4.350 -0.004 0.000 0.192 325 E C 1.987 178.611 176.600 0.040 0.000 0.984 325 E CA 1.320 57.745 56.400 0.042 0.000 0.806 325 E CB -0.482 29.230 29.700 0.020 0.000 0.750 325 E HN 0.256 nan 8.360 nan 0.000 0.458 326 G N -0.544 108.285 108.800 0.048 0.000 2.422 326 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.218 326 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.218 326 G C 1.530 176.462 174.900 0.052 0.000 1.146 326 G CA 0.672 45.793 45.100 0.035 0.000 0.769 326 G HN 0.378 nan 8.290 nan 0.000 0.547 327 F N 0.844 120.757 119.950 -0.061 0.000 2.206 327 F HA 0.168 4.693 4.527 -0.003 0.000 0.298 327 F C 2.712 178.462 175.800 -0.083 0.000 1.090 327 F CA 1.163 59.120 58.000 -0.073 0.000 1.323 327 F CB 0.041 38.998 39.000 -0.071 0.000 1.028 327 F HN 0.039 nan 8.300 nan 0.000 0.492 328 R N -0.040 120.530 120.500 0.116 0.000 2.096 328 R HA -0.153 4.185 4.340 -0.004 0.000 0.235 328 R C 1.749 177.990 176.300 -0.098 0.000 1.127 328 R CA 1.447 57.560 56.100 0.021 0.000 0.968 328 R CB -0.135 30.190 30.300 0.041 0.000 0.861 328 R HN 0.258 nan 8.270 nan 0.000 0.440 329 Q N 0.346 120.088 119.800 -0.098 0.000 2.444 329 Q HA 0.023 4.360 4.340 -0.004 0.000 0.206 329 Q C -0.067 175.807 176.000 -0.210 0.000 0.948 329 Q CA 0.331 56.055 55.803 -0.132 0.000 0.946 329 Q CB 0.387 29.076 28.738 -0.082 0.000 1.027 329 Q HN 0.326 nan 8.270 nan 0.000 0.513 330 R N -0.051 120.273 120.500 -0.294 0.000 3.776 330 R HA -0.165 4.173 4.340 -0.004 0.000 0.312 330 R C 0.729 176.877 176.300 -0.254 0.000 1.181 330 R CA 0.672 56.542 56.100 -0.383 0.000 0.836 330 R CB -1.076 28.954 30.300 -0.449 0.000 1.324 330 R HN 0.097 nan 8.270 nan 0.000 0.501 331 K N 0.644 120.940 120.400 -0.173 0.000 2.099 331 K HA 0.184 4.502 4.320 -0.004 0.000 0.203 331 K C 1.183 177.731 176.600 -0.086 0.000 1.047 331 K CA 0.860 57.082 56.287 -0.107 0.000 0.963 331 K CB 0.221 32.681 32.500 -0.067 0.000 0.759 331 K HN 0.268 nan 8.250 nan 0.000 0.451 332 I N 2.870 123.406 120.570 -0.056 0.000 2.471 332 I HA -0.000 4.167 4.170 -0.004 0.000 0.286 332 I C 1.225 177.315 176.117 -0.045 0.000 1.079 332 I CA -0.109 61.202 61.300 0.019 0.000 1.398 332 I CB 0.745 38.831 38.000 0.143 0.000 1.403 332 I HN -0.112 nan 8.210 nan 0.000 0.530 333 K N 4.864 125.253 120.400 -0.018 0.000 2.284 333 K HA 0.251 4.569 4.320 -0.004 0.000 0.198 333 K C -0.075 176.579 176.600 0.091 0.000 1.048 333 K CA 0.620 56.868 56.287 -0.064 0.000 0.987 333 K CB 0.397 32.857 32.500 -0.068 0.000 0.800 333 K HN 0.387 nan 8.250 nan 0.000 0.486 334 V N 1.832 121.864 119.914 0.197 0.000 2.686 334 V HA 0.424 4.541 4.120 -0.004 0.000 0.306 334 V C -0.641 175.546 176.094 0.155 0.000 1.065 334 V CA -0.794 61.629 62.300 0.206 0.000 0.894 334 V CB 2.499 34.372 31.823 0.083 0.000 1.004 334 V HN -0.046 nan 8.190 nan 0.000 0.424 335 I N 4.129 124.699 120.570 0.000 0.000 2.465 335 I HA 0.517 4.684 4.170 -0.004 0.000 0.291 335 I C -0.715 175.279 176.117 -0.206 0.000 1.014 335 I CA -0.927 60.257 61.300 -0.193 0.000 1.093 335 I CB 2.318 40.000 38.000 -0.530 0.000 1.267 335 I HN 0.312 nan 8.210 nan 0.000 0.431 336 V N 5.920 125.776 119.914 -0.098 0.000 2.350 336 V HA 0.704 4.822 4.120 -0.004 0.000 0.276 336 V C 0.256 176.317 176.094 -0.056 0.000 1.028 336 V CA -0.365 61.880 62.300 -0.092 0.000 0.860 336 V CB 1.041 32.868 31.823 0.007 0.000 0.990 336 V HN 0.808 nan 8.190 nan 0.000 0.453 337 A N 3.610 126.316 122.820 -0.191 0.000 2.384 337 A HA 0.899 5.217 4.320 -0.004 0.000 0.312 337 A C 0.271 177.936 177.584 0.135 0.000 1.113 337 A CA -0.439 51.576 52.037 -0.038 0.000 0.779 337 A CB 1.569 20.446 19.000 -0.205 0.000 1.307 337 A HN 0.843 nan 8.150 nan 0.000 0.436 338 T N -0.894 113.814 114.554 0.257 0.000 2.788 338 T HA 0.387 4.734 4.350 -0.004 0.000 0.287 338 T C -1.990 172.931 174.700 0.369 0.000 1.007 338 T CA -1.069 61.192 62.100 0.269 0.000 1.005 338 T CB 0.288 69.282 68.868 0.211 0.000 1.012 338 T HN 0.278 nan 8.240 nan 0.000 0.530 339 P HA -0.022 nan 4.420 nan 0.000 0.221 339 P C 1.555 178.902 177.300 0.078 0.000 1.145 339 P CA 0.787 63.933 63.100 0.077 0.000 0.795 339 P CB -0.238 31.451 31.700 -0.018 0.000 0.775 340 T N -0.157 114.485 114.554 0.146 0.000 2.720 340 T HA -0.176 4.172 4.350 -0.004 0.000 0.268 340 T C 1.635 176.427 174.700 0.154 0.000 1.037 340 T CA 0.999 63.183 62.100 0.140 0.000 1.144 340 T CB -0.936 68.029 68.868 0.161 0.000 0.864 340 T HN 0.108 nan 8.240 nan 0.000 0.444 341 L N 0.763 122.104 121.223 0.198 0.000 2.081 341 L HA -0.171 4.166 4.340 -0.004 0.000 0.212 341 L C 2.577 179.515 176.870 0.113 0.000 1.080 341 L CA 1.704 56.588 54.840 0.074 0.000 0.754 341 L CB -0.480 41.515 42.059 -0.107 0.000 0.893 341 L HN 0.269 nan 8.230 nan 0.000 0.433 342 A N -0.560 122.341 122.820 0.134 0.000 2.070 342 A HA -0.063 4.255 4.320 -0.004 0.000 0.220 342 A C 2.223 179.807 177.584 -0.000 0.000 1.159 342 A CA 1.486 53.505 52.037 -0.029 0.000 0.656 342 A CB -0.703 18.056 19.000 -0.402 0.000 0.800 342 A HN 0.591 nan 8.150 nan 0.000 0.453 343 A N -0.865 121.983 122.820 0.047 0.000 2.238 343 A HA 0.500 4.818 4.320 -0.004 0.000 0.210 343 A C 1.433 179.100 177.584 0.139 0.000 1.179 343 A CA 0.787 52.889 52.037 0.108 0.000 0.827 343 A CB -0.538 18.538 19.000 0.127 0.000 0.856 343 A HN 0.621 nan 8.150 nan 0.000 0.488 344 G N -0.409 108.455 108.800 0.106 0.000 2.509 344 G HA2 0.441 4.399 3.960 -0.004 0.000 0.269 344 G HA3 0.441 4.399 3.960 -0.004 0.000 0.269 344 G C 0.491 175.444 174.900 0.090 0.000 1.416 344 G CA 0.168 45.329 45.100 0.102 0.000 1.052 344 G HN 0.879 nan 8.290 nan 0.000 0.542 345 V N -1.365 118.596 119.914 0.079 0.000 3.209 345 V HA 0.110 4.227 4.120 -0.004 0.000 0.305 345 V C 0.460 176.592 176.094 0.064 0.000 1.127 345 V CA -0.928 61.417 62.300 0.075 0.000 1.235 345 V CB -0.078 31.785 31.823 0.067 0.000 0.987 345 V HN 0.512 nan 8.190 nan 0.000 0.499 346 N N 1.915 120.656 118.700 0.070 0.000 2.412 346 N HA 0.437 5.175 4.740 -0.004 0.000 0.258 346 N C -0.614 174.933 175.510 0.061 0.000 1.236 346 N CA 0.329 53.419 53.050 0.066 0.000 0.882 346 N CB 0.360 38.888 38.487 0.068 0.000 1.066 346 N HN 0.832 nan 8.380 nan 0.000 0.465 347 L N 4.547 125.810 121.223 0.067 0.000 2.847 347 L HA 0.348 4.686 4.340 -0.004 0.000 0.243 347 L C -2.710 174.234 176.870 0.125 0.000 0.978 347 L CA -1.061 53.833 54.840 0.090 0.000 1.030 347 L CB 1.434 43.511 42.059 0.030 0.000 1.351 347 L HN 0.446 nan 8.230 nan 0.000 0.512 348 P HA 0.754 nan 4.420 nan 0.000 0.281 348 P C -1.141 176.314 177.300 0.258 0.000 1.264 348 P CA -0.466 62.729 63.100 0.158 0.000 0.824 348 P CB 2.034 33.795 31.700 0.101 0.000 1.092 349 A N 1.058 124.015 122.820 0.229 0.000 2.437 349 A HA 0.537 4.855 4.320 -0.004 0.000 0.288 349 A C 1.279 178.945 177.584 0.136 0.000 1.201 349 A CA -0.690 51.483 52.037 0.227 0.000 0.795 349 A CB 1.076 20.282 19.000 0.343 0.000 1.359 349 A HN 0.512 nan 8.150 nan 0.000 0.435 350 R N -0.895 119.672 120.500 0.112 0.000 2.075 350 R HA 0.042 4.379 4.340 -0.004 0.000 0.226 350 R C -0.377 176.002 176.300 0.132 0.000 1.114 350 R CA 1.693 57.860 56.100 0.112 0.000 0.972 350 R CB -0.034 30.326 30.300 0.100 0.000 0.869 350 R HN 0.703 nan 8.270 nan 0.000 0.437 351 T N 0.861 115.506 114.554 0.151 0.000 2.807 351 T HA 0.411 4.759 4.350 -0.004 0.000 0.279 351 T C -1.093 173.704 174.700 0.163 0.000 0.993 351 T CA -0.568 61.644 62.100 0.186 0.000 0.970 351 T CB 2.494 71.503 68.868 0.236 0.000 0.950 351 T HN -0.170 nan 8.240 nan 0.000 0.441 352 V N 4.637 124.643 119.914 0.152 0.000 2.417 352 V HA 0.511 4.628 4.120 -0.004 0.000 0.291 352 V C -0.297 175.870 176.094 0.121 0.000 1.024 352 V CA -0.763 61.625 62.300 0.147 0.000 0.861 352 V CB 1.309 33.235 31.823 0.172 0.000 0.985 352 V HN 0.785 nan 8.190 nan 0.000 0.436 353 I N 6.012 126.644 120.570 0.105 0.000 2.355 353 I HA 0.470 4.637 4.170 -0.004 0.000 0.288 353 I C -0.512 175.661 176.117 0.095 0.000 0.999 353 I CA -0.358 60.977 61.300 0.058 0.000 1.163 353 I CB 1.722 39.744 38.000 0.036 0.000 1.316 353 I HN 0.433 nan 8.210 nan 0.000 0.454 354 I N 5.521 126.131 120.570 0.066 0.000 2.297 354 I HA 0.252 4.420 4.170 -0.004 0.000 0.291 354 I C 1.291 177.408 176.117 0.001 0.000 1.033 354 I CA 0.086 61.431 61.300 0.075 0.000 1.253 354 I CB 1.464 39.491 38.000 0.045 0.000 1.396 354 I HN 0.770 nan 8.210 nan 0.000 0.476 355 G N 3.688 112.502 108.800 0.023 0.000 2.662 355 G HA2 -0.014 3.944 3.960 -0.004 0.000 0.212 355 G HA3 -0.014 3.944 3.960 -0.004 0.000 0.212 355 G C 0.653 175.539 174.900 -0.024 0.000 1.141 355 G CA 0.201 45.294 45.100 -0.011 0.000 0.797 355 G HN 0.569 nan 8.290 nan 0.000 0.531 356 D N 0.671 121.058 120.400 -0.021 0.000 2.650 356 D HA 0.152 4.790 4.640 -0.004 0.000 0.265 356 D C 0.985 177.252 176.300 -0.055 0.000 1.339 356 D CA -0.444 53.539 54.000 -0.028 0.000 0.816 356 D CB 0.860 41.657 40.800 -0.004 0.000 1.091 356 D HN 0.336 nan 8.370 nan 0.000 0.483 373 I N -0.138 120.531 120.570 0.165 0.000 2.252 373 I HA -0.141 4.027 4.170 -0.004 0.000 0.245 373 I C 2.385 178.620 176.117 0.197 0.000 1.102 373 I CA 1.303 62.739 61.300 0.226 0.000 1.385 373 I CB -0.192 37.836 38.000 0.048 0.000 1.064 373 I HN 0.120 nan 8.210 nan 0.000 0.414 374 M N 1.110 120.757 119.600 0.078 0.000 2.108 374 M HA -0.252 4.226 4.480 -0.004 0.000 0.261 374 M C 2.043 178.332 176.300 -0.019 0.000 1.066 374 M CA 1.917 57.224 55.300 0.011 0.000 1.107 374 M CB -0.363 32.221 32.600 -0.027 0.000 1.356 374 M HN 0.055 nan 8.290 nan 0.000 0.406 375 E N -1.439 118.759 120.200 -0.003 0.000 2.110 375 E HA -0.232 4.115 4.350 -0.004 0.000 0.193 375 E C 1.918 178.464 176.600 -0.090 0.000 0.988 375 E CA 1.586 57.946 56.400 -0.068 0.000 0.804 375 E CB -0.465 29.201 29.700 -0.057 0.000 0.745 375 E HN 0.712 nan 8.360 nan 0.000 0.458 376 Y N 1.013 121.265 120.300 -0.080 0.000 2.145 376 Y HA -0.245 4.303 4.550 -0.003 0.000 0.286 376 Y C 1.659 177.508 175.900 -0.085 0.000 1.145 376 Y CA 1.592 59.632 58.100 -0.101 0.000 1.148 376 Y CB 0.112 38.573 38.460 0.001 0.000 0.981 376 Y HN -0.108 nan 8.280 nan 0.000 0.507 377 K N 0.510 120.764 120.400 -0.244 0.000 2.097 377 K HA -0.176 4.142 4.320 -0.004 0.000 0.206 377 K C 1.945 178.371 176.600 -0.290 0.000 1.049 377 K CA 1.686 57.789 56.287 -0.307 0.000 0.933 377 K CB -0.537 31.904 32.500 -0.097 0.000 0.717 377 K HN 0.590 nan 8.250 nan 0.000 0.442 378 Q N -0.014 119.646 119.800 -0.233 0.000 2.123 378 Q HA 0.035 4.373 4.340 -0.004 0.000 0.199 378 Q C 2.242 178.084 176.000 -0.263 0.000 0.966 378 Q CA 0.991 56.670 55.803 -0.207 0.000 0.845 378 Q CB -0.089 28.550 28.738 -0.165 0.000 0.907 378 Q HN 0.342 nan 8.270 nan 0.000 0.439 379 M N 0.426 119.790 119.600 -0.394 0.000 2.123 379 M HA -0.138 4.340 4.480 -0.004 0.000 0.263 379 M C 2.535 178.691 176.300 -0.240 0.000 1.069 379 M CA 1.693 56.697 55.300 -0.492 0.000 1.133 379 M CB -0.229 31.953 32.600 -0.698 0.000 1.356 379 M HN 0.181 nan 8.290 nan 0.000 0.415 380 S N 0.029 115.505 115.700 -0.372 0.000 2.402 380 S HA -0.055 4.413 4.470 -0.004 0.000 0.229 380 S C 1.962 176.466 174.600 -0.161 0.000 1.021 380 S CA 1.153 59.170 58.200 -0.305 0.000 0.974 380 S CB -1.214 61.614 63.200 -0.620 0.000 0.800 380 S HN 0.533 nan 8.310 nan 0.000 0.484 381 G N 0.873 109.571 108.800 -0.171 0.000 2.625 381 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.214 381 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.214 381 G C 1.527 176.405 174.900 -0.035 0.000 1.132 381 G CA -0.025 45.018 45.100 -0.095 0.000 0.782 381 G HN 0.526 nan 8.290 nan 0.000 0.538 382 R N 0.011 120.509 120.500 -0.003 0.000 2.299 382 R HA 0.267 4.605 4.340 -0.004 0.000 0.197 382 R C 1.243 177.590 176.300 0.078 0.000 0.971 382 R CA 0.194 56.329 56.100 0.059 0.000 1.030 382 R CB 0.181 30.553 30.300 0.119 0.000 0.932 382 R HN 0.234 nan 8.270 nan 0.000 0.477 383 A N 1.247 124.101 122.820 0.057 0.000 2.410 383 A HA 0.494 4.812 4.320 -0.004 0.000 0.292 383 A C 0.131 177.746 177.584 0.052 0.000 1.232 383 A CA 0.494 52.575 52.037 0.072 0.000 0.893 383 A CB -0.085 18.958 19.000 0.072 0.000 1.131 383 A HN 0.327 nan 8.150 nan 0.000 0.530 384 G N 2.685 111.525 108.800 0.067 0.000 3.084 384 G HA2 0.041 3.998 3.960 -0.004 0.000 0.543 384 G HA3 0.041 3.998 3.960 -0.004 0.000 0.543 384 G C -0.666 174.270 174.900 0.061 0.000 1.239 384 G CA -1.138 43.994 45.100 0.053 0.000 1.190 384 G HN 0.862 nan 8.290 nan 0.000 0.549 385 R N 3.916 124.470 120.500 0.089 0.000 2.210 385 R HA 0.330 4.667 4.340 -0.004 0.000 0.338 385 R C -1.475 174.892 176.300 0.112 0.000 1.062 385 R CA -1.656 54.505 56.100 0.102 0.000 0.902 385 R CB 1.289 31.662 30.300 0.122 0.000 1.050 385 R HN 0.269 nan 8.270 nan 0.000 0.461 386 P HA -0.202 nan 4.420 nan 0.000 0.216 386 P C 0.893 178.257 177.300 0.107 0.000 1.154 386 P CA 1.397 64.546 63.100 0.082 0.000 0.865 386 P CB 0.312 32.063 31.700 0.085 0.000 0.789 387 G N -4.546 104.334 108.800 0.133 0.000 3.453 387 G HA2 0.127 4.084 3.960 -0.004 0.000 0.263 387 G HA3 0.127 4.084 3.960 -0.004 0.000 0.263 387 G C 0.587 175.600 174.900 0.189 0.000 1.060 387 G CA -0.045 45.137 45.100 0.137 0.000 0.793 387 G HN 0.209 nan 8.290 nan 0.000 0.532 388 F N -0.029 119.923 119.950 0.003 0.000 2.421 388 F HA 0.339 4.863 4.527 -0.004 0.000 0.270 388 F C -0.079 175.715 175.800 -0.010 0.000 0.894 388 F CA -0.252 57.743 58.000 -0.009 0.000 1.128 388 F CB 1.015 40.002 39.000 -0.021 0.000 1.011 388 F HN -0.128 nan 8.300 nan 0.000 0.788 389 D N 0.979 121.448 120.400 0.114 0.000 2.283 389 D HA 0.165 4.803 4.640 -0.004 0.000 0.248 389 D C 0.572 176.864 176.300 -0.012 0.000 1.072 389 D CA -0.061 53.957 54.000 0.029 0.000 0.929 389 D CB 1.372 42.227 40.800 0.092 0.000 1.182 389 D HN 0.234 nan 8.370 nan 0.000 0.433 390 Q N 0.416 120.195 119.800 -0.035 0.000 2.339 390 Q HA 0.251 4.589 4.340 -0.004 0.000 0.205 390 Q C 0.499 176.490 176.000 -0.015 0.000 0.925 390 Q CA 0.301 56.085 55.803 -0.030 0.000 0.898 390 Q CB 1.371 30.082 28.738 -0.045 0.000 1.013 390 Q HN 0.500 nan 8.270 nan 0.000 0.504 391 I N -0.693 119.874 120.570 -0.005 0.000 2.841 391 I HA 0.522 4.690 4.170 -0.004 0.000 0.298 391 I C -1.320 174.813 176.117 0.026 0.000 1.304 391 I CA -0.818 60.482 61.300 0.001 0.000 1.019 391 I CB 2.206 40.199 38.000 -0.012 0.000 1.282 391 I HN 0.017 nan 8.210 nan 0.000 0.432 392 G N 4.702 113.522 108.800 0.034 0.000 2.454 392 G HA2 0.660 4.618 3.960 -0.004 0.000 0.329 392 G HA3 0.660 4.618 3.960 -0.004 0.000 0.329 392 G C -1.598 173.357 174.900 0.091 0.000 1.177 392 G CA -0.404 44.734 45.100 0.065 0.000 0.951 392 G HN 0.692 nan 8.290 nan 0.000 0.485 393 E N -0.290 119.994 120.200 0.140 0.000 2.256 393 E HA 0.543 4.891 4.350 -0.004 0.000 0.268 393 E C -0.983 175.728 176.600 0.184 0.000 0.877 393 E CA -0.844 55.681 56.400 0.207 0.000 0.757 393 E CB 1.841 31.729 29.700 0.313 0.000 1.183 393 E HN 0.462 nan 8.360 nan 0.000 0.418 394 S N 3.743 119.537 115.700 0.157 0.000 2.472 394 S HA 0.733 5.200 4.470 -0.004 0.000 0.303 394 S C 0.074 174.703 174.600 0.049 0.000 1.099 394 S CA -0.877 57.381 58.200 0.096 0.000 1.077 394 S CB 0.716 63.943 63.200 0.045 0.000 1.031 394 S HN 0.633 nan 8.310 nan 0.000 0.487 395 I N -0.240 120.301 120.570 -0.048 0.000 2.545 395 I HA 0.782 4.950 4.170 -0.004 0.000 0.292 395 I C -1.296 174.737 176.117 -0.139 0.000 1.040 395 I CA -1.344 59.843 61.300 -0.188 0.000 1.068 395 I CB 2.052 39.783 38.000 -0.449 0.000 1.251 395 I HN 0.395 nan 8.210 nan 0.000 0.424 396 V N 6.212 126.018 119.914 -0.180 0.000 2.407 396 V HA 0.299 4.417 4.120 -0.004 0.000 0.278 396 V C 0.365 176.349 176.094 -0.184 0.000 1.037 396 V CA -0.671 61.520 62.300 -0.181 0.000 0.900 396 V CB 1.510 33.164 31.823 -0.281 0.000 0.983 396 V HN 0.582 nan 8.190 nan 0.000 0.459 397 V N 6.554 126.385 119.914 -0.138 0.000 2.508 397 V HA 0.352 4.470 4.120 -0.004 0.000 0.281 397 V C 0.206 176.252 176.094 -0.080 0.000 1.041 397 V CA -0.062 62.175 62.300 -0.105 0.000 1.016 397 V CB 1.219 32.989 31.823 -0.089 0.000 0.984 397 V HN 0.752 nan 8.190 nan 0.000 0.478 398 V N 3.306 123.201 119.914 -0.031 0.000 2.960 398 V HA 0.608 4.726 4.120 -0.004 0.000 0.315 398 V C 0.650 176.774 176.094 0.050 0.000 1.087 398 V CA -0.933 61.362 62.300 -0.008 0.000 0.982 398 V CB 2.068 33.876 31.823 -0.025 0.000 1.039 398 V HN 0.655 nan 8.190 nan 0.000 0.437 399 R N 0.918 121.439 120.500 0.035 0.000 2.246 399 R HA 0.216 4.554 4.340 -0.004 0.000 0.199 399 R C -0.276 176.063 176.300 0.066 0.000 0.984 399 R CA 0.960 57.092 56.100 0.053 0.000 1.015 399 R CB 0.120 30.437 30.300 0.029 0.000 0.930 399 R HN 1.023 nan 8.270 nan 0.000 0.475 400 D N -1.485 118.943 120.400 0.047 0.000 2.654 400 D HA -0.001 4.637 4.640 -0.004 0.000 0.231 400 D C -0.176 176.082 176.300 -0.071 0.000 1.239 400 D CA -0.656 53.363 54.000 0.031 0.000 0.790 400 D CB 1.324 42.129 40.800 0.007 0.000 1.480 400 D HN -0.274 nan 8.370 nan 0.000 0.442 401 K N 0.712 121.017 120.400 -0.157 0.000 2.089 401 K HA -0.216 4.102 4.320 -0.004 0.000 0.210 401 K C 0.867 177.290 176.600 -0.296 0.000 1.048 401 K CA 1.733 57.722 56.287 -0.497 0.000 0.926 401 K CB -0.011 32.275 32.500 -0.357 0.000 0.714 401 K HN 0.470 nan 8.250 nan 0.000 0.448 402 E N -0.107 120.005 120.200 -0.148 0.000 2.335 402 E HA -0.078 4.270 4.350 -0.004 0.000 0.191 402 E C -0.097 176.458 176.600 -0.075 0.000 1.150 402 E CA 0.059 56.402 56.400 -0.095 0.000 1.001 402 E CB 0.260 29.926 29.700 -0.057 0.000 1.127 402 E HN 0.277 nan 8.360 nan 0.000 0.462 403 D N -1.524 118.819 120.400 -0.095 0.000 2.516 403 D HA 0.025 4.662 4.640 -0.004 0.000 0.241 403 D C 1.314 177.575 176.300 -0.065 0.000 1.246 403 D CA 0.065 54.028 54.000 -0.062 0.000 0.808 403 D CB 0.629 41.401 40.800 -0.046 0.000 1.147 403 D HN -0.040 nan 8.370 nan 0.000 0.527 404 V N 0.495 120.349 119.914 -0.100 0.000 2.358 404 V HA -0.177 3.941 4.120 -0.004 0.000 0.246 404 V C 2.008 178.165 176.094 0.104 0.000 1.047 404 V CA 2.120 64.392 62.300 -0.046 0.000 1.035 404 V CB -0.366 31.396 31.823 -0.102 0.000 0.658 404 V HN 0.198 nan 8.190 nan 0.000 0.452 405 D N -0.185 120.262 120.400 0.079 0.000 2.117 405 D HA -0.218 4.420 4.640 -0.004 0.000 0.197 405 D C 2.386 178.741 176.300 0.090 0.000 0.987 405 D CA 1.244 55.312 54.000 0.114 0.000 0.829 405 D CB -0.117 40.703 40.800 0.033 0.000 0.961 405 D HN 0.215 nan 8.370 nan 0.000 0.460 406 R N -0.354 120.164 120.500 0.030 0.000 2.115 406 R HA -0.069 4.269 4.340 -0.004 0.000 0.230 406 R C 1.989 178.292 176.300 0.006 0.000 1.111 406 R CA 0.760 56.863 56.100 0.004 0.000 0.976 406 R CB -0.020 30.273 30.300 -0.012 0.000 0.870 406 R HN 0.145 nan 8.270 nan 0.000 0.445 407 V N 0.526 120.443 119.914 0.004 0.000 2.270 407 V HA -0.227 3.891 4.120 -0.004 0.000 0.245 407 V C 1.968 178.027 176.094 -0.058 0.000 1.043 407 V CA 1.699 63.994 62.300 -0.009 0.000 1.014 407 V CB -0.600 31.109 31.823 -0.189 0.000 0.645 407 V HN 0.185 nan 8.190 nan 0.000 0.447 408 F N 0.679 120.615 119.950 -0.023 0.000 2.065 408 F HA -0.222 4.302 4.527 -0.004 0.000 0.298 408 F C 2.455 178.233 175.800 -0.037 0.000 1.112 408 F CA 2.279 60.264 58.000 -0.025 0.000 1.212 408 F CB -0.573 38.418 39.000 -0.015 0.000 0.975 408 F HN 0.033 nan 8.300 nan 0.000 0.476 409 K N 0.402 120.888 120.400 0.144 0.000 2.057 409 K HA -0.188 4.129 4.320 -0.004 0.000 0.207 409 K C 2.111 178.681 176.600 -0.050 0.000 1.049 409 K CA 1.488 57.799 56.287 0.041 0.000 0.931 409 K CB -0.176 32.331 32.500 0.012 0.000 0.714 409 K HN 0.102 nan 8.250 nan 0.000 0.440 410 K N -1.533 118.780 120.400 -0.145 0.000 2.098 410 K HA -0.065 4.253 4.320 -0.004 0.000 0.203 410 K C 1.493 177.798 176.600 -0.490 0.000 1.051 410 K CA 1.172 57.237 56.287 -0.369 0.000 0.957 410 K CB 0.077 32.236 32.500 -0.569 0.000 0.738 410 K HN 0.165 nan 8.250 nan 0.000 0.447 411 Y N -0.846 119.319 120.300 -0.225 0.000 2.422 411 Y HA 0.012 4.560 4.550 -0.004 0.000 0.291 411 Y C 2.066 177.812 175.900 -0.257 0.000 1.144 411 Y CA 0.056 57.908 58.100 -0.412 0.000 1.208 411 Y CB 0.235 38.118 38.460 -0.961 0.000 1.195 411 Y HN -0.222 nan 8.280 nan 0.000 0.535 412 V N 0.282 120.183 119.914 -0.022 0.000 2.346 412 V HA -0.195 3.923 4.120 -0.004 0.000 0.244 412 V C 1.750 177.965 176.094 0.202 0.000 1.037 412 V CA 1.614 64.020 62.300 0.177 0.000 1.029 412 V CB -0.466 31.518 31.823 0.269 0.000 0.663 412 V HN 0.342 nan 8.190 nan 0.000 0.454 413 L N 0.299 121.613 121.223 0.153 0.000 2.567 413 L HA 0.175 4.513 4.340 -0.004 0.000 0.225 413 L C 1.051 177.964 176.870 0.072 0.000 1.119 413 L CA 0.159 55.069 54.840 0.115 0.000 0.871 413 L CB -0.061 42.057 42.059 0.097 0.000 1.036 413 L HN 0.419 nan 8.230 nan 0.000 0.459 414 S N -1.101 114.629 115.700 0.051 0.000 2.681 414 S HA 0.440 4.908 4.470 -0.004 0.000 0.299 414 S C -0.634 173.990 174.600 0.041 0.000 1.113 414 S CA -1.011 57.202 58.200 0.022 0.000 1.013 414 S CB 1.840 65.022 63.200 -0.031 0.000 1.076 414 S HN 0.192 nan 8.310 nan 0.000 0.534 415 D N 0.156 120.575 120.400 0.032 0.000 2.354 415 D HA 0.404 5.041 4.640 -0.004 0.000 0.247 415 D C 0.825 177.141 176.300 0.028 0.000 1.138 415 D CA -0.851 53.175 54.000 0.043 0.000 0.958 415 D CB 0.429 41.260 40.800 0.052 0.000 1.144 415 D HN 0.640 nan 8.370 nan 0.000 0.458 416 V N -1.645 118.291 119.914 0.036 0.000 3.332 416 V HA 0.148 4.266 4.120 -0.004 0.000 0.305 416 V C 0.111 176.210 176.094 0.008 0.000 1.114 416 V CA -0.680 61.633 62.300 0.023 0.000 1.194 416 V CB -0.101 31.733 31.823 0.018 0.000 1.027 416 V HN 0.527 nan 8.190 nan 0.000 0.492 417 E N 3.416 123.613 120.200 -0.005 0.000 2.414 417 E HA 0.286 4.633 4.350 -0.004 0.000 0.263 417 E C -2.331 174.265 176.600 -0.008 0.000 1.000 417 E CA -1.040 55.351 56.400 -0.016 0.000 0.914 417 E CB -0.370 29.314 29.700 -0.026 0.000 0.948 417 E HN 0.699 nan 8.360 nan 0.000 0.444 418 P HA -0.022 nan 4.420 nan 0.000 0.268 418 P C -0.335 176.951 177.300 -0.023 0.000 1.208 418 P CA 0.151 63.244 63.100 -0.011 0.000 0.777 418 P CB 0.443 32.128 31.700 -0.025 0.000 0.875 419 I N 2.393 122.951 120.570 -0.020 0.000 2.496 419 I HA 0.110 4.278 4.170 -0.004 0.000 0.285 419 I C 0.992 177.056 176.117 -0.088 0.000 1.080 419 I CA 0.409 61.681 61.300 -0.047 0.000 1.404 419 I CB 0.083 38.064 38.000 -0.033 0.000 1.403 419 I HN 0.430 nan 8.210 nan 0.000 0.539 420 E N 4.216 124.351 120.200 -0.108 0.000 2.331 420 E HA 0.360 4.707 4.350 -0.004 0.000 0.275 420 E C -1.131 175.374 176.600 -0.159 0.000 0.895 420 E CA -0.927 55.392 56.400 -0.134 0.000 0.753 420 E CB 1.647 31.287 29.700 -0.099 0.000 1.216 420 E HN 0.411 nan 8.360 nan 0.000 0.434 421 S N 0.909 116.490 115.700 -0.198 0.000 2.563 421 S HA 0.024 4.492 4.470 -0.004 0.000 0.284 421 S C 0.437 174.936 174.600 -0.169 0.000 1.331 421 S CA -0.170 57.898 58.200 -0.219 0.000 1.047 421 S CB 0.342 63.395 63.200 -0.244 0.000 0.859 421 S HN 0.479 nan 8.310 nan 0.000 0.514 422 K N 3.971 124.263 120.400 -0.179 0.000 2.387 422 K HA 0.258 4.576 4.320 -0.004 0.000 0.203 422 K C 1.196 177.685 176.600 -0.184 0.000 1.030 422 K CA 0.042 56.232 56.287 -0.162 0.000 1.099 422 K CB -0.078 32.334 32.500 -0.146 0.000 0.863 422 K HN 0.604 nan 8.250 nan 0.000 0.529 423 L N 0.413 121.515 121.223 -0.202 0.000 2.549 423 L HA -0.032 4.306 4.340 -0.004 0.000 0.229 423 L C 1.311 178.108 176.870 -0.121 0.000 1.158 423 L CA 0.579 55.305 54.840 -0.190 0.000 0.842 423 L CB -0.276 41.605 42.059 -0.295 0.000 0.952 423 L HN 0.125 nan 8.230 nan 0.000 0.452 424 G N 0.060 108.733 108.800 -0.213 0.000 3.353 424 G HA2 0.177 4.135 3.960 -0.004 0.000 0.247 424 G HA3 0.177 4.135 3.960 -0.004 0.000 0.247 424 G C 0.198 174.600 174.900 -0.829 0.000 1.025 424 G CA 0.324 45.168 45.100 -0.426 0.000 1.863 424 G HN 0.343 nan 8.290 nan 0.000 0.635 425 S N -1.790 113.361 115.700 -0.914 0.000 2.607 425 S HA 0.408 4.876 4.470 -0.004 0.000 0.273 425 S C 0.429 174.674 174.600 -0.590 0.000 1.148 425 S CA -0.752 57.021 58.200 -0.713 0.000 0.833 425 S CB 1.959 64.944 63.200 -0.359 0.000 1.130 425 S HN 0.142 nan 8.310 nan 0.000 0.470 426 E N 0.375 120.335 120.200 -0.400 0.000 2.152 426 E HA -0.049 4.299 4.350 -0.004 0.000 0.192 426 E C 2.048 178.193 176.600 -0.759 0.000 0.983 426 E CA 0.548 56.596 56.400 -0.588 0.000 0.818 426 E CB -0.044 29.337 29.700 -0.532 0.000 0.758 426 E HN 0.598 nan 8.360 nan 0.000 0.467 427 R N 0.978 121.224 120.500 -0.423 0.000 2.092 427 R HA -0.164 4.174 4.340 -0.004 0.000 0.226 427 R C 2.354 178.552 176.300 -0.170 0.000 1.140 427 R CA 1.587 57.554 56.100 -0.223 0.000 0.910 427 R CB -0.455 29.715 30.300 -0.216 0.000 0.822 427 R HN 0.134 nan 8.270 nan 0.000 0.433 428 A N 0.241 122.965 122.820 -0.159 0.000 1.940 428 A HA -0.255 4.062 4.320 -0.004 0.000 0.221 428 A C 2.145 179.713 177.584 -0.027 0.000 1.190 428 A CA 1.922 53.891 52.037 -0.112 0.000 0.647 428 A CB -0.961 17.946 19.000 -0.155 0.000 0.821 428 A HN 0.566 nan 8.150 nan 0.000 0.457 429 F N -1.614 118.287 119.950 -0.081 0.000 2.234 429 F HA -0.037 4.488 4.527 -0.003 0.000 0.296 429 F C 2.155 178.136 175.800 0.302 0.000 1.089 429 F CA 1.209 59.302 58.000 0.156 0.000 1.343 429 F CB -0.133 38.972 39.000 0.174 0.000 1.040 429 F HN 0.304 nan 8.300 nan 0.000 0.498 430 Y N -0.027 120.306 120.300 0.055 0.000 2.224 430 Y HA -0.171 4.377 4.550 -0.003 0.000 0.289 430 Y C 2.667 178.454 175.900 -0.189 0.000 1.146 430 Y CA 1.291 59.312 58.100 -0.133 0.000 1.182 430 Y CB -1.851 36.346 38.460 -0.438 0.000 0.983 430 Y HN -0.032 nan 8.280 nan 0.000 0.524 431 T N 0.499 115.048 114.554 -0.007 0.000 2.777 431 T HA -0.192 4.155 4.350 -0.004 0.000 0.266 431 T C 1.808 176.467 174.700 -0.068 0.000 1.040 431 T CA 1.275 63.315 62.100 -0.101 0.000 1.141 431 T CB -0.844 67.951 68.868 -0.122 0.000 0.868 431 T HN 0.375 nan 8.240 nan 0.000 0.444 432 F N 1.643 121.465 119.950 -0.214 0.000 2.095 432 F HA -0.065 4.460 4.527 -0.003 0.000 0.298 432 F C 1.930 177.589 175.800 -0.235 0.000 1.104 432 F CA 1.190 59.029 58.000 -0.268 0.000 1.232 432 F CB -0.210 38.517 39.000 -0.454 0.000 0.987 432 F HN 0.019 nan 8.300 nan 0.000 0.475 433 L N -0.209 120.813 121.223 -0.336 0.000 2.109 433 L HA -0.176 4.162 4.340 -0.004 0.000 0.207 433 L C 2.390 179.095 176.870 -0.276 0.000 1.086 433 L CA 0.690 55.313 54.840 -0.362 0.000 0.760 433 L CB -0.684 41.266 42.059 -0.181 0.000 0.910 433 L HN 0.296 nan 8.230 nan 0.000 0.437 434 L N 0.239 121.337 121.223 -0.208 0.000 2.046 434 L HA -0.101 4.237 4.340 -0.004 0.000 0.208 434 L C 2.425 179.189 176.870 -0.177 0.000 1.077 434 L CA 1.976 56.711 54.840 -0.175 0.000 0.747 434 L CB -0.809 41.146 42.059 -0.174 0.000 0.896 434 L HN 0.149 nan 8.230 nan 0.000 0.432 435 G N -0.343 108.342 108.800 -0.192 0.000 2.421 435 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.216 435 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.216 435 G C 1.604 176.365 174.900 -0.231 0.000 1.171 435 G CA 1.193 46.196 45.100 -0.161 0.000 0.775 435 G HN 0.456 nan 8.290 nan 0.000 0.543 436 I N 0.288 120.638 120.570 -0.367 0.000 2.151 436 I HA -0.189 3.979 4.170 -0.004 0.000 0.243 436 I C 2.746 178.642 176.117 -0.368 0.000 1.080 436 I CA 0.847 61.864 61.300 -0.471 0.000 1.339 436 I CB -0.245 37.391 38.000 -0.606 0.000 1.039 436 I HN 0.130 nan 8.210 nan 0.000 0.409 437 L N -0.395 120.675 121.223 -0.255 0.000 2.093 437 L HA -0.197 4.141 4.340 -0.004 0.000 0.208 437 L C 2.721 179.512 176.870 -0.132 0.000 1.085 437 L CA 1.144 55.887 54.840 -0.161 0.000 0.755 437 L CB -0.406 41.593 42.059 -0.100 0.000 0.904 437 L HN 0.206 nan 8.230 nan 0.000 0.435 438 S N -0.681 114.940 115.700 -0.131 0.000 2.383 438 S HA -0.127 4.341 4.470 -0.004 0.000 0.227 438 S C 2.024 176.562 174.600 -0.103 0.000 1.026 438 S CA 1.230 59.367 58.200 -0.105 0.000 0.981 438 S CB 0.010 63.150 63.200 -0.100 0.000 0.818 438 S HN 0.464 nan 8.310 nan 0.000 0.472 439 A N 0.807 123.544 122.820 -0.137 0.000 1.935 439 A HA 0.103 4.420 4.320 -0.004 0.000 0.214 439 A C 1.972 179.461 177.584 -0.157 0.000 1.178 439 A CA 0.920 52.882 52.037 -0.126 0.000 0.640 439 A CB -0.206 18.689 19.000 -0.174 0.000 0.825 439 A HN 0.470 nan 8.150 nan 0.000 0.447 440 E N -0.936 119.125 120.200 -0.231 0.000 2.415 440 E HA 0.306 4.653 4.350 -0.004 0.000 0.197 440 E C 1.237 177.774 176.600 -0.106 0.000 1.007 440 E CA 0.701 56.971 56.400 -0.217 0.000 0.890 440 E CB -0.038 29.416 29.700 -0.411 0.000 0.891 440 E HN 0.658 nan 8.360 nan 0.000 0.496 441 G N 1.978 110.724 108.800 -0.089 0.000 2.632 441 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.224 441 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.224 441 G C -0.319 174.570 174.900 -0.020 0.000 1.341 441 G CA -0.402 44.673 45.100 -0.041 0.000 0.880 441 G HN 0.188 nan 8.290 nan 0.000 0.566 442 N N 0.198 118.903 118.700 0.007 0.000 2.454 442 N HA 0.529 5.267 4.740 -0.004 0.000 0.260 442 N C 0.091 175.628 175.510 0.045 0.000 1.218 442 N CA 0.452 53.522 53.050 0.032 0.000 0.904 442 N CB 0.460 38.962 38.487 0.026 0.000 1.065 442 N HN 0.623 nan 8.380 nan 0.000 0.462 443 L N 0.324 121.594 121.223 0.079 0.000 2.434 443 L HA 0.421 4.759 4.340 -0.004 0.000 0.260 443 L C 0.301 177.227 176.870 0.092 0.000 0.983 443 L CA -1.011 53.891 54.840 0.104 0.000 0.820 443 L CB 1.964 44.110 42.059 0.144 0.000 1.361 443 L HN 0.525 nan 8.230 nan 0.000 0.410 444 S N -0.228 115.504 115.700 0.053 0.000 2.600 444 S HA 0.091 4.559 4.470 -0.004 0.000 0.265 444 S C 0.890 175.555 174.600 0.107 0.000 1.325 444 S CA -0.171 58.021 58.200 -0.013 0.000 1.002 444 S CB 1.375 64.566 63.200 -0.014 0.000 0.921 444 S HN 0.828 nan 8.310 nan 0.000 0.554 445 E N 1.166 121.403 120.200 0.062 0.000 2.065 445 E HA -0.279 4.069 4.350 -0.004 0.000 0.201 445 E C 2.001 178.759 176.600 0.264 0.000 1.016 445 E CA 1.761 58.361 56.400 0.333 0.000 0.818 445 E CB -0.235 29.624 29.700 0.265 0.000 0.749 445 E HN 0.795 nan 8.360 nan 0.000 0.453 446 K N 0.105 120.578 120.400 0.122 0.000 2.044 446 K HA -0.258 4.060 4.320 -0.004 0.000 0.210 446 K C 2.289 178.912 176.600 0.038 0.000 1.049 446 K CA 1.989 58.309 56.287 0.054 0.000 0.927 446 K CB -0.022 32.498 32.500 0.034 0.000 0.713 446 K HN 0.172 nan 8.250 nan 0.000 0.443 447 Q N 0.053 119.902 119.800 0.082 0.000 2.079 447 Q HA -0.153 4.184 4.340 -0.004 0.000 0.200 447 Q C 2.100 178.222 176.000 0.203 0.000 0.974 447 Q CA 1.235 57.099 55.803 0.101 0.000 0.840 447 Q CB -0.072 28.751 28.738 0.142 0.000 0.898 447 Q HN 0.243 nan 8.270 nan 0.000 0.430 448 L N 1.113 122.492 121.223 0.260 0.000 2.056 448 L HA -0.177 4.160 4.340 -0.004 0.000 0.207 448 L C 2.141 179.123 176.870 0.186 0.000 1.078 448 L CA 1.920 56.954 54.840 0.324 0.000 0.749 448 L CB -0.523 41.777 42.059 0.402 0.000 0.901 448 L HN 0.211 nan 8.230 nan 0.000 0.433 449 E N -0.691 119.453 120.200 -0.094 0.000 2.058 449 E HA -0.276 4.072 4.350 -0.004 0.000 0.194 449 E C 1.868 178.118 176.600 -0.584 0.000 0.997 449 E CA 1.426 57.342 56.400 -0.807 0.000 0.801 449 E CB -0.071 29.083 29.700 -0.910 0.000 0.746 449 E HN 0.537 nan 8.360 nan 0.000 0.450 450 N N 0.014 118.563 118.700 -0.252 0.000 2.137 450 N HA -0.178 4.560 4.740 -0.004 0.000 0.190 450 N C 1.605 177.032 175.510 -0.138 0.000 1.017 450 N CA 1.177 54.147 53.050 -0.134 0.000 0.859 450 N CB -0.525 37.872 38.487 -0.149 0.000 1.002 450 N HN 0.218 nan 8.380 nan 0.000 0.428 451 F N 1.029 120.943 119.950 -0.060 0.000 2.134 451 F HA -0.085 4.440 4.527 -0.004 0.000 0.299 451 F C 2.360 178.180 175.800 0.034 0.000 1.097 451 F CA 1.048 59.024 58.000 -0.040 0.000 1.264 451 F CB -0.355 38.575 39.000 -0.116 0.000 1.001 451 F HN 0.026 nan 8.300 nan 0.000 0.479 452 A N -1.000 121.919 122.820 0.164 0.000 2.019 452 A HA -0.203 4.114 4.320 -0.004 0.000 0.219 452 A C 1.730 179.525 177.584 0.353 0.000 1.164 452 A CA 1.272 53.509 52.037 0.333 0.000 0.644 452 A CB -1.112 18.075 19.000 0.312 0.000 0.805 452 A HN 0.429 nan 8.150 nan 0.000 0.449 453 Y N 0.494 120.906 120.300 0.187 0.000 2.509 453 Y HA -0.031 4.517 4.550 -0.004 0.000 0.293 453 Y C 2.145 178.146 175.900 0.168 0.000 1.133 453 Y CA 0.610 58.792 58.100 0.135 0.000 1.283 453 Y CB -0.236 38.247 38.460 0.039 0.000 1.001 453 Y HN 0.338 nan 8.280 nan 0.000 0.555 454 E N 0.058 120.456 120.200 0.331 0.000 2.333 454 E HA -0.111 4.237 4.350 -0.004 0.000 0.198 454 E C 1.183 178.059 176.600 0.459 0.000 1.007 454 E CA 0.454 57.034 56.400 0.299 0.000 0.845 454 E CB -0.292 29.534 29.700 0.210 0.000 0.766 454 E HN 0.223 nan 8.360 nan 0.000 0.507 455 S N 0.584 116.523 115.700 0.398 0.000 2.566 455 S HA -0.059 4.409 4.470 -0.004 0.000 0.280 455 S C 1.071 175.742 174.600 0.118 0.000 1.343 455 S CA -0.389 57.949 58.200 0.230 0.000 1.036 455 S CB 0.615 63.843 63.200 0.047 0.000 0.866 455 S HN 0.150 nan 8.310 nan 0.000 0.526 456 L N 4.249 125.255 121.223 -0.362 0.000 2.478 456 L HA 0.376 4.714 4.340 -0.004 0.000 0.223 456 L C 0.511 177.130 176.870 -0.419 0.000 1.140 456 L CA 0.811 55.097 54.840 -0.924 0.000 0.842 456 L CB -0.633 40.542 42.059 -1.473 0.000 0.953 456 L HN 0.718 nan 8.230 nan 0.000 0.452 457 L N 1.266 122.366 121.223 -0.206 0.000 2.455 457 L HA 0.339 4.676 4.340 -0.004 0.000 0.272 457 L C 0.754 177.621 176.870 -0.005 0.000 1.174 457 L CA 0.200 54.995 54.840 -0.075 0.000 0.869 457 L CB 0.266 42.346 42.059 0.035 0.000 1.130 457 L HN 0.240 nan 8.230 nan 0.000 0.474 458 A N 5.071 127.881 122.820 -0.017 0.000 2.567 458 A HA 0.014 4.332 4.320 -0.004 0.000 0.240 458 A C 1.372 178.989 177.584 0.055 0.000 1.053 458 A CA 0.210 52.248 52.037 0.001 0.000 0.755 458 A CB -0.143 18.850 19.000 -0.012 0.000 0.978 458 A HN 0.943 nan 8.150 nan 0.000 0.507 459 K N 0.908 121.326 120.400 0.029 0.000 2.089 459 K HA -0.266 4.052 4.320 -0.004 0.000 0.210 459 K C 2.126 178.775 176.600 0.082 0.000 1.048 459 K CA 2.305 58.614 56.287 0.037 0.000 0.926 459 K CB -0.039 32.368 32.500 -0.155 0.000 0.714 459 K HN 0.932 nan 8.250 nan 0.000 0.448 460 Q N 0.713 120.531 119.800 0.031 0.000 2.170 460 Q HA -0.140 4.197 4.340 -0.004 0.000 0.203 460 Q C 1.975 177.995 176.000 0.034 0.000 0.976 460 Q CA 1.090 56.907 55.803 0.024 0.000 0.858 460 Q CB 0.078 28.816 28.738 -0.000 0.000 0.907 460 Q HN 0.325 nan 8.270 nan 0.000 0.433 461 L N -0.509 120.752 121.223 0.064 0.000 2.162 461 L HA -0.076 4.262 4.340 -0.004 0.000 0.205 461 L C 2.344 179.299 176.870 0.141 0.000 1.086 461 L CA 0.240 55.139 54.840 0.099 0.000 0.778 461 L CB -0.192 41.950 42.059 0.138 0.000 0.928 461 L HN 0.105 nan 8.230 nan 0.000 0.446 462 V N 0.142 120.165 119.914 0.182 0.000 2.282 462 V HA -0.331 3.787 4.120 -0.004 0.000 0.249 462 V C 2.076 178.231 176.094 0.102 0.000 1.057 462 V CA 2.044 64.477 62.300 0.221 0.000 1.032 462 V CB -0.532 31.555 31.823 0.439 0.000 0.645 462 V HN 0.448 nan 8.190 nan 0.000 0.447 463 D N -0.245 120.240 120.400 0.143 0.000 2.178 463 D HA -0.116 4.522 4.640 -0.004 0.000 0.201 463 D C 2.126 178.425 176.300 -0.000 0.000 0.980 463 D CA 1.072 55.139 54.000 0.111 0.000 0.842 463 D CB -0.221 40.647 40.800 0.113 0.000 0.948 463 D HN 0.345 nan 8.370 nan 0.000 0.472 464 V N 0.210 120.050 119.914 -0.123 0.000 2.358 464 V HA -0.235 3.882 4.120 -0.004 0.000 0.246 464 V C 1.866 177.674 176.094 -0.478 0.000 1.047 464 V CA 1.413 63.515 62.300 -0.330 0.000 1.035 464 V CB -0.483 31.039 31.823 -0.501 0.000 0.658 464 V HN 0.181 nan 8.190 nan 0.000 0.452 465 Y N -1.888 118.251 120.300 -0.268 0.000 2.448 465 Y HA 0.049 4.597 4.550 -0.005 0.000 0.289 465 Y C 2.001 177.654 175.900 -0.411 0.000 1.114 465 Y CA 0.483 58.319 58.100 -0.441 0.000 1.235 465 Y CB -0.505 37.465 38.460 -0.817 0.000 1.045 465 Y HN 0.208 nan 8.280 nan 0.000 0.554 466 F N 1.326 121.057 119.950 -0.365 0.000 2.026 466 F HA -0.279 4.246 4.527 -0.004 0.000 0.296 466 F C 2.003 177.814 175.800 0.018 0.000 1.133 466 F CA 2.045 60.014 58.000 -0.051 0.000 1.188 466 F CB -0.186 38.835 39.000 0.035 0.000 0.968 466 F HN -0.054 nan 8.300 nan 0.000 0.476 467 D N -0.144 120.271 120.400 0.026 0.000 2.117 467 D HA -0.121 4.516 4.640 -0.004 0.000 0.198 467 D C 2.410 178.662 176.300 -0.080 0.000 0.982 467 D CA 0.922 54.887 54.000 -0.058 0.000 0.828 467 D CB -0.353 40.489 40.800 0.071 0.000 0.967 467 D HN 0.252 nan 8.370 nan 0.000 0.464 468 R N 0.432 120.919 120.500 -0.022 0.000 2.134 468 R HA -0.223 4.115 4.340 -0.004 0.000 0.248 468 R C 2.166 178.453 176.300 -0.022 0.000 1.143 468 R CA 1.724 57.853 56.100 0.049 0.000 0.957 468 R CB -0.351 30.025 30.300 0.125 0.000 0.867 468 R HN 0.144 nan 8.270 nan 0.000 0.441 469 A N 0.938 123.686 122.820 -0.119 0.000 1.897 469 A HA -0.109 4.209 4.320 -0.004 0.000 0.215 469 A C 2.081 179.386 177.584 -0.466 0.000 1.181 469 A CA 0.910 52.651 52.037 -0.494 0.000 0.620 469 A CB -0.308 18.651 19.000 -0.068 0.000 0.821 469 A HN 0.105 nan 8.150 nan 0.000 0.443 470 I N 1.118 121.418 120.570 -0.450 0.000 2.118 470 I HA -0.301 3.866 4.170 -0.004 0.000 0.241 470 I C 2.766 178.703 176.117 -0.299 0.000 1.070 470 I CA 2.291 63.296 61.300 -0.491 0.000 1.327 470 I CB -1.238 36.443 38.000 -0.531 0.000 1.034 470 I HN 0.585 nan 8.210 nan 0.000 0.405 471 R N -0.091 120.311 120.500 -0.164 0.000 2.092 471 R HA -0.220 4.118 4.340 -0.004 0.000 0.231 471 R C 2.279 178.568 176.300 -0.018 0.000 1.119 471 R CA 1.491 57.551 56.100 -0.066 0.000 0.970 471 R CB -1.329 28.968 30.300 -0.006 0.000 0.864 471 R HN 0.409 nan 8.270 nan 0.000 0.440 472 W N 2.060 123.248 121.300 -0.185 0.000 2.355 472 W HA -0.067 4.591 4.660 -0.003 0.000 0.309 472 W C 1.926 178.440 176.519 -0.009 0.000 1.206 472 W CA 1.444 58.745 57.345 -0.073 0.000 1.284 472 W CB -0.203 29.076 29.460 -0.302 0.000 1.145 472 W HN -0.016 nan 8.180 nan 0.000 0.502 473 L N 0.036 121.276 121.223 0.027 0.000 2.201 473 L HA -0.206 4.131 4.340 -0.004 0.000 0.212 473 L C 2.371 179.226 176.870 -0.024 0.000 1.105 473 L CA 0.807 55.664 54.840 0.029 0.000 0.775 473 L CB -0.742 41.268 42.059 -0.081 0.000 0.913 473 L HN 0.094 nan 8.230 nan 0.000 0.440 474 L N -0.822 120.335 121.223 -0.111 0.000 2.023 474 L HA -0.150 4.188 4.340 -0.004 0.000 0.205 474 L C 2.604 179.383 176.870 -0.152 0.000 1.073 474 L CA 1.190 55.969 54.840 -0.103 0.000 0.745 474 L CB -0.477 41.532 42.059 -0.082 0.000 0.900 474 L HN 0.236 nan 8.230 nan 0.000 0.435 475 E N -0.318 119.751 120.200 -0.218 0.000 2.118 475 E HA -0.243 4.104 4.350 -0.004 0.000 0.195 475 E C 1.507 177.763 176.600 -0.573 0.000 0.992 475 E CA 1.519 57.691 56.400 -0.380 0.000 0.804 475 E CB -0.152 29.272 29.700 -0.460 0.000 0.741 475 E HN 0.643 nan 8.360 nan 0.000 0.458 476 H N -0.300 118.516 119.070 -0.423 0.000 2.517 476 H HA 0.101 4.655 4.556 -0.004 0.000 0.282 476 H C 0.231 175.312 175.328 -0.412 0.000 1.023 476 H CA 0.525 56.302 56.048 -0.452 0.000 1.169 476 H CB 0.396 29.726 29.762 -0.720 0.000 1.454 476 H HN 0.049 nan 8.280 nan 0.000 0.556 477 S N -0.630 114.946 115.700 -0.207 0.000 3.628 477 S HA -0.282 4.186 4.470 -0.004 0.000 0.373 477 S C 0.283 174.765 174.600 -0.197 0.000 0.968 477 S CA 0.627 58.715 58.200 -0.186 0.000 1.215 477 S CB -2.378 60.686 63.200 -0.226 0.000 0.912 477 S HN 0.427 nan 8.310 nan 0.000 0.495 478 F N 0.827 120.780 119.950 0.006 0.000 2.446 478 F HA 0.424 4.949 4.527 -0.004 0.000 0.292 478 F C 1.421 177.219 175.800 -0.004 0.000 1.096 478 F CA 0.440 58.472 58.000 0.053 0.000 1.438 478 F CB 0.172 39.185 39.000 0.022 0.000 1.107 478 F HN 0.706 nan 8.300 nan 0.000 0.546 479 I N -0.798 119.846 120.570 0.123 0.000 2.910 479 I HA 0.542 4.709 4.170 -0.004 0.000 0.310 479 I C -0.912 175.237 176.117 0.053 0.000 1.043 479 I CA -1.044 60.286 61.300 0.050 0.000 1.053 479 I CB 2.295 40.261 38.000 -0.058 0.000 1.242 479 I HN -0.116 nan 8.210 nan 0.000 0.452 480 K N 1.919 122.380 120.400 0.102 0.000 2.477 480 K HA 0.559 4.877 4.320 -0.004 0.000 0.255 480 K C -1.353 175.364 176.600 0.196 0.000 0.952 480 K CA -0.779 55.574 56.287 0.110 0.000 0.826 480 K CB 2.403 34.935 32.500 0.054 0.000 1.331 480 K HN 0.646 nan 8.250 nan 0.000 0.437 481 E N 1.177 121.474 120.200 0.161 0.000 2.227 481 E HA 0.090 4.438 4.350 -0.004 0.000 0.282 481 E C -0.534 176.074 176.600 0.014 0.000 1.015 481 E CA -0.311 56.141 56.400 0.087 0.000 0.823 481 E CB 1.440 31.172 29.700 0.054 0.000 1.081 481 E HN 0.593 nan 8.360 nan 0.000 0.396 482 E N 1.593 121.777 120.200 -0.028 0.000 2.603 482 E HA 0.211 4.558 4.350 -0.004 0.000 0.211 482 E C 0.551 177.123 176.600 -0.047 0.000 0.995 482 E CA -0.113 56.271 56.400 -0.026 0.000 0.990 482 E CB 1.195 30.888 29.700 -0.012 0.000 1.036 482 E HN 0.797 nan 8.360 nan 0.000 0.475 483 G N 1.960 110.713 108.800 -0.077 0.000 1.844 483 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.177 483 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.177 483 G C 0.294 175.120 174.900 -0.123 0.000 1.010 483 G CA -0.145 44.908 45.100 -0.078 0.000 1.257 483 G HN 0.125 nan 8.290 nan 0.000 0.428 484 N N 0.905 119.539 118.700 -0.110 0.000 2.521 484 N HA 0.276 5.014 4.740 -0.004 0.000 0.188 484 N C 0.397 175.784 175.510 -0.204 0.000 1.146 484 N CA 1.650 54.621 53.050 -0.132 0.000 0.893 484 N CB 0.268 38.709 38.487 -0.077 0.000 0.975 484 N HN 0.609 nan 8.380 nan 0.000 0.451 485 T N -1.027 113.392 114.554 -0.226 0.000 2.906 485 T HA 0.461 4.809 4.350 -0.004 0.000 0.295 485 T C -1.463 173.074 174.700 -0.271 0.000 1.061 485 T CA -0.657 61.310 62.100 -0.222 0.000 1.000 485 T CB 0.301 69.126 68.868 -0.073 0.000 1.103 485 T HN -0.147 nan 8.240 nan 0.000 0.486 486 F N 2.027 121.985 119.950 0.014 0.000 2.422 486 F HA 0.794 5.319 4.527 -0.003 0.000 0.333 486 F C 0.644 176.442 175.800 -0.005 0.000 1.095 486 F CA -0.792 57.209 58.000 0.003 0.000 1.038 486 F CB 1.695 40.696 39.000 0.000 0.000 1.156 486 F HN 0.706 nan 8.300 nan 0.000 0.483 487 A N 3.290 126.240 122.820 0.217 0.000 2.515 487 A HA 0.722 5.040 4.320 -0.004 0.000 0.298 487 A C -1.126 176.508 177.584 0.083 0.000 1.059 487 A CA -0.810 51.291 52.037 0.107 0.000 0.698 487 A CB 1.098 20.140 19.000 0.069 0.000 1.289 487 A HN 0.719 nan 8.150 nan 0.000 0.404 488 L N 2.158 123.410 121.223 0.047 0.000 2.456 488 L HA 0.240 4.577 4.340 -0.004 0.000 0.272 488 L C 1.493 178.392 176.870 0.048 0.000 1.189 488 L CA -0.142 54.724 54.840 0.044 0.000 0.846 488 L CB 0.612 42.682 42.059 0.018 0.000 1.111 488 L HN 0.976 nan 8.230 nan 0.000 0.475 489 T N -0.939 113.652 114.554 0.062 0.000 2.726 489 T HA 0.039 4.387 4.350 -0.004 0.000 0.294 489 T C 0.964 175.700 174.700 0.059 0.000 1.013 489 T CA -0.285 61.849 62.100 0.056 0.000 0.996 489 T CB 0.497 69.400 68.868 0.058 0.000 1.016 489 T HN 0.592 nan 8.240 nan 0.000 0.529 490 N N -0.568 118.168 118.700 0.060 0.000 2.166 490 N HA -0.018 4.720 4.740 -0.004 0.000 0.186 490 N C 1.273 176.837 175.510 0.091 0.000 1.019 490 N CA 1.086 54.172 53.050 0.061 0.000 0.856 490 N CB -0.366 38.153 38.487 0.053 0.000 0.993 490 N HN 0.614 nan 8.380 nan 0.000 0.426 491 F N 1.154 121.074 119.950 -0.051 0.000 2.113 491 F HA 0.068 4.592 4.527 -0.004 0.000 0.297 491 F C 2.267 178.062 175.800 -0.009 0.000 1.103 491 F CA 1.450 59.411 58.000 -0.066 0.000 1.248 491 F CB -0.851 38.051 39.000 -0.162 0.000 0.999 491 F HN -0.044 nan 8.300 nan 0.000 0.475 492 G N 0.043 108.851 108.800 0.014 0.000 2.469 492 G HA2 -0.380 3.578 3.960 -0.004 0.000 0.220 492 G HA3 -0.380 3.578 3.960 -0.004 0.000 0.220 492 G C 1.630 176.523 174.900 -0.012 0.000 1.136 492 G CA 1.257 46.398 45.100 0.069 0.000 0.759 492 G HN 0.378 nan 8.290 nan 0.000 0.562 493 K N 0.616 121.003 120.400 -0.022 0.000 2.062 493 K HA 0.018 4.336 4.320 -0.004 0.000 0.205 493 K C 2.415 178.977 176.600 -0.064 0.000 1.051 493 K CA 1.116 57.378 56.287 -0.040 0.000 0.941 493 K CB -0.293 32.194 32.500 -0.022 0.000 0.719 493 K HN 0.169 nan 8.250 nan 0.000 0.440 494 R N 0.050 120.506 120.500 -0.074 0.000 2.096 494 R HA -0.012 4.326 4.340 -0.004 0.000 0.235 494 R C 1.855 178.101 176.300 -0.089 0.000 1.127 494 R CA 1.521 57.580 56.100 -0.068 0.000 0.968 494 R CB -0.637 29.630 30.300 -0.056 0.000 0.861 494 R HN 0.121 nan 8.270 nan 0.000 0.440 495 V N 0.576 120.376 119.914 -0.189 0.000 2.358 495 V HA -0.165 3.952 4.120 -0.004 0.000 0.246 495 V C 2.320 178.385 176.094 -0.047 0.000 1.047 495 V CA 1.828 64.037 62.300 -0.152 0.000 1.035 495 V CB -0.810 30.887 31.823 -0.209 0.000 0.658 495 V HN 0.542 nan 8.190 nan 0.000 0.452 496 A N -0.091 122.694 122.820 -0.059 0.000 1.883 496 A HA -0.268 4.050 4.320 -0.004 0.000 0.217 496 A C 2.003 179.592 177.584 0.009 0.000 1.186 496 A CA 2.104 54.111 52.037 -0.050 0.000 0.624 496 A CB -0.651 18.303 19.000 -0.076 0.000 0.822 496 A HN 0.537 nan 8.150 nan 0.000 0.444 497 D N -0.171 120.210 120.400 -0.030 0.000 2.178 497 D HA -0.075 4.563 4.640 -0.004 0.000 0.201 497 D C 1.795 178.283 176.300 0.314 0.000 0.980 497 D CA 0.937 54.944 54.000 0.012 0.000 0.842 497 D CB -0.212 40.566 40.800 -0.035 0.000 0.948 497 D HN 0.467 nan 8.370 nan 0.000 0.472 498 L N -1.275 120.105 121.223 0.262 0.000 2.418 498 L HA -0.033 4.305 4.340 -0.004 0.000 0.218 498 L C 0.603 177.813 176.870 0.566 0.000 1.125 498 L CA 0.129 55.212 54.840 0.405 0.000 0.835 498 L CB -0.086 42.140 42.059 0.278 0.000 0.953 498 L HN 0.047 nan 8.230 nan 0.000 0.454 499 Y N 0.413 120.839 120.300 0.209 0.000 4.366 499 Y HA -0.251 4.297 4.550 -0.004 0.000 0.236 499 Y C 0.407 176.450 175.900 0.239 0.000 1.142 499 Y CA -0.272 57.881 58.100 0.088 0.000 2.024 499 Y CB -1.530 36.769 38.460 -0.269 0.000 1.621 499 Y HN 0.217 nan 8.280 nan 0.000 0.694 500 I N -1.206 119.486 120.570 0.203 0.000 2.532 500 I HA 0.281 4.449 4.170 -0.004 0.000 0.292 500 I C 0.878 176.978 176.117 -0.030 0.000 1.014 500 I CA -0.610 60.763 61.300 0.122 0.000 1.340 500 I CB 0.943 38.926 38.000 -0.028 0.000 1.422 500 I HN 0.263 nan 8.210 nan 0.000 0.528 501 N N 5.201 123.894 118.700 -0.011 0.000 2.407 501 N HA 0.035 4.773 4.740 -0.004 0.000 0.250 501 N C -1.739 173.738 175.510 -0.055 0.000 1.236 501 N CA -0.845 52.173 53.050 -0.054 0.000 0.879 501 N CB 1.180 39.678 38.487 0.019 0.000 1.088 501 N HN 0.466 nan 8.380 nan 0.000 0.450 502 P HA -0.116 nan 4.420 nan 0.000 0.216 502 P C 0.958 178.224 177.300 -0.056 0.000 1.150 502 P CA 1.428 64.302 63.100 -0.377 0.000 0.843 502 P CB 0.004 31.268 31.700 -0.727 0.000 0.787 503 F N -0.716 119.245 119.950 0.018 0.000 2.171 503 F HA -0.191 4.335 4.527 -0.003 0.000 0.300 503 F C 2.348 178.243 175.800 0.159 0.000 1.090 503 F CA 1.506 59.571 58.000 0.107 0.000 1.293 503 F CB -1.401 37.544 39.000 -0.093 0.000 1.013 503 F HN -0.091 nan 8.300 nan 0.000 0.486 504 T N -0.140 114.569 114.554 0.258 0.000 2.674 504 T HA -0.225 4.123 4.350 -0.004 0.000 0.265 504 T C 2.277 177.113 174.700 0.227 0.000 1.039 504 T CA 1.378 63.587 62.100 0.182 0.000 1.150 504 T CB -0.704 68.206 68.868 0.070 0.000 0.864 504 T HN 0.315 nan 8.240 nan 0.000 0.427 505 A N 1.410 124.384 122.820 0.255 0.000 1.940 505 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 505 A C 2.084 179.982 177.584 0.524 0.000 1.176 505 A CA 2.226 54.479 52.037 0.360 0.000 0.631 505 A CB -0.880 18.343 19.000 0.372 0.000 0.814 505 A HN 0.552 nan 8.150 nan 0.000 0.446 506 D N -0.408 120.349 120.400 0.594 0.000 2.117 506 D HA -0.098 4.539 4.640 -0.004 0.000 0.198 506 D C 1.711 178.214 176.300 0.338 0.000 0.982 506 D CA 1.290 55.587 54.000 0.496 0.000 0.828 506 D CB -0.188 40.934 40.800 0.536 0.000 0.967 506 D HN 0.491 nan 8.370 nan 0.000 0.464 507 I N 0.041 120.814 120.570 0.337 0.000 2.252 507 I HA -0.208 3.959 4.170 -0.004 0.000 0.245 507 I C 2.223 178.470 176.117 0.216 0.000 1.102 507 I CA 0.688 62.159 61.300 0.285 0.000 1.385 507 I CB -0.162 38.029 38.000 0.319 0.000 1.064 507 I HN 0.113 nan 8.210 nan 0.000 0.414 508 I N 0.287 120.983 120.570 0.209 0.000 2.179 508 I HA -0.310 3.858 4.170 -0.004 0.000 0.242 508 I C 2.803 178.996 176.117 0.126 0.000 1.088 508 I CA 1.366 62.762 61.300 0.160 0.000 1.357 508 I CB -0.430 37.666 38.000 0.160 0.000 1.051 508 I HN 0.176 nan 8.210 nan 0.000 0.409 509 R N 1.374 121.962 120.500 0.148 0.000 2.073 509 R HA -0.224 4.113 4.340 -0.004 0.000 0.234 509 R C 2.355 178.659 176.300 0.008 0.000 1.134 509 R CA 1.752 57.870 56.100 0.031 0.000 0.952 509 R CB -0.173 30.055 30.300 -0.121 0.000 0.850 509 R HN 0.213 nan 8.270 nan 0.000 0.433 510 K N -0.630 119.807 120.400 0.060 0.000 2.032 510 K HA -0.130 4.188 4.320 -0.004 0.000 0.209 510 K C 1.988 178.646 176.600 0.097 0.000 1.048 510 K CA 1.748 58.079 56.287 0.072 0.000 0.927 510 K CB -0.424 32.152 32.500 0.127 0.000 0.712 510 K HN 0.396 nan 8.250 nan 0.000 0.441 511 G N 1.001 109.872 108.800 0.119 0.000 2.418 511 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.217 511 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.217 511 G C 1.451 176.407 174.900 0.093 0.000 1.158 511 G CA 0.701 45.885 45.100 0.139 0.000 0.771 511 G HN 0.199 nan 8.290 nan 0.000 0.545 512 L N -0.239 120.965 121.223 -0.031 0.000 2.179 512 L HA 0.078 4.415 4.340 -0.004 0.000 0.208 512 L C 2.678 179.539 176.870 -0.015 0.000 1.096 512 L CA 0.887 55.585 54.840 -0.236 0.000 0.779 512 L CB -0.293 41.631 42.059 -0.226 0.000 0.922 512 L HN 0.267 nan 8.230 nan 0.000 0.443 513 E N -0.055 120.155 120.200 0.017 0.000 2.318 513 E HA -0.039 4.309 4.350 -0.004 0.000 0.193 513 E C 2.103 178.706 176.600 0.004 0.000 0.998 513 E CA 0.596 57.008 56.400 0.021 0.000 0.859 513 E CB 0.086 29.764 29.700 -0.037 0.000 0.812 513 E HN 0.479 nan 8.360 nan 0.000 0.492 514 G N -0.004 108.787 108.800 -0.015 0.000 2.603 514 G HA2 -0.049 3.909 3.960 -0.004 0.000 0.214 514 G HA3 -0.049 3.909 3.960 -0.004 0.000 0.214 514 G C 0.198 174.847 174.900 -0.418 0.000 1.140 514 G CA 0.227 45.196 45.100 -0.219 0.000 0.800 514 G HN 0.173 nan 8.290 nan 0.000 0.533 515 H N -1.061 118.059 119.070 0.084 0.000 2.895 515 H HA 0.441 4.995 4.556 -0.004 0.000 0.373 515 H C -0.248 175.205 175.328 0.207 0.000 1.174 515 H CA -1.004 55.105 56.048 0.101 0.000 1.144 515 H CB 1.519 31.317 29.762 0.060 0.000 1.793 515 H HN 0.139 nan 8.280 nan 0.000 0.551 516 K N 0.912 121.448 120.400 0.226 0.000 2.149 516 K HA 0.609 4.926 4.320 -0.004 0.000 0.245 516 K C -0.077 176.565 176.600 0.071 0.000 1.024 516 K CA -0.668 55.673 56.287 0.090 0.000 0.899 516 K CB 0.638 33.157 32.500 0.031 0.000 1.038 516 K HN 0.593 nan 8.250 nan 0.000 0.496 517 A N 1.333 124.036 122.820 -0.195 0.000 2.580 517 A HA 0.045 4.363 4.320 -0.004 0.000 0.244 517 A C 0.226 177.860 177.584 0.084 0.000 1.045 517 A CA 0.297 52.296 52.037 -0.063 0.000 0.761 517 A CB -0.162 18.788 19.000 -0.084 0.000 0.962 517 A HN 0.719 nan 8.150 nan 0.000 0.512 518 S N 0.373 116.137 115.700 0.106 0.000 2.786 518 S HA 0.628 5.095 4.470 -0.004 0.000 0.302 518 S C 0.453 175.087 174.600 0.056 0.000 1.080 518 S CA -0.038 58.140 58.200 -0.037 0.000 0.925 518 S CB 0.460 63.517 63.200 -0.237 0.000 1.325 518 S HN 1.669 nan 8.310 nan 0.000 0.576 519 c N 0.276 118.869 118.600 -0.013 0.000 2.403 519 c HA 0.615 5.183 4.570 -0.004 0.000 0.361 519 c C 1.663 175.838 174.090 0.141 0.000 1.274 519 c CA -0.240 56.130 56.329 0.070 0.000 2.433 519 c CB -0.535 41.987 42.510 0.020 0.000 2.323 519 c HN 0.998 nan 8.230 nan 0.000 0.614 520 E N -0.343 119.967 120.200 0.184 0.000 2.150 520 E HA -0.164 4.184 4.350 -0.004 0.000 0.193 520 E C 1.792 178.495 176.600 0.173 0.000 0.985 520 E CA 0.894 57.440 56.400 0.244 0.000 0.814 520 E CB -0.163 29.627 29.700 0.149 0.000 0.752 520 E HN 0.686 nan 8.360 nan 0.000 0.466 521 L N 0.984 122.256 121.223 0.082 0.000 2.042 521 L HA -0.201 4.137 4.340 -0.004 0.000 0.210 521 L C 2.184 179.068 176.870 0.024 0.000 1.076 521 L CA 2.013 56.879 54.840 0.045 0.000 0.749 521 L CB -0.567 41.495 42.059 0.004 0.000 0.893 521 L HN 0.045 nan 8.230 nan 0.000 0.432 522 A N -1.785 121.000 122.820 -0.059 0.000 1.930 522 A HA -0.213 4.105 4.320 -0.004 0.000 0.217 522 A C 2.086 179.593 177.584 -0.128 0.000 1.175 522 A CA 1.697 53.634 52.037 -0.167 0.000 0.627 522 A CB -0.932 17.873 19.000 -0.324 0.000 0.815 522 A HN 0.524 nan 8.150 nan 0.000 0.443 523 Y N 0.041 120.368 120.300 0.044 0.000 2.200 523 Y HA -0.062 4.486 4.550 -0.004 0.000 0.290 523 Y C 2.177 178.108 175.900 0.051 0.000 1.137 523 Y CA 1.236 59.365 58.100 0.048 0.000 1.163 523 Y CB -0.535 37.959 38.460 0.057 0.000 0.988 523 Y HN 0.167 nan 8.280 nan 0.000 0.518 524 L N -1.022 120.326 121.223 0.208 0.000 2.046 524 L HA -0.261 4.077 4.340 -0.004 0.000 0.208 524 L C 2.650 179.573 176.870 0.090 0.000 1.077 524 L CA 1.713 56.633 54.840 0.133 0.000 0.747 524 L CB -0.762 41.364 42.059 0.111 0.000 0.896 524 L HN 0.393 nan 8.230 nan 0.000 0.432 525 H N 0.627 119.691 119.070 -0.011 0.000 2.290 525 H HA -0.235 4.318 4.556 -0.004 0.000 0.298 525 H C 2.270 177.591 175.328 -0.011 0.000 1.087 525 H CA 2.308 58.320 56.048 -0.060 0.000 1.291 525 H CB -0.060 29.606 29.762 -0.161 0.000 1.369 525 H HN 0.252 nan 8.280 nan 0.000 0.492 526 L N 0.877 122.123 121.223 0.037 0.000 2.043 526 L HA -0.181 4.157 4.340 -0.004 0.000 0.212 526 L C 2.500 179.411 176.870 0.068 0.000 1.075 526 L CA 1.434 56.297 54.840 0.039 0.000 0.752 526 L CB -0.576 41.526 42.059 0.071 0.000 0.891 526 L HN 0.262 nan 8.230 nan 0.000 0.432 527 L N -0.885 120.375 121.223 0.062 0.000 2.095 527 L HA -0.058 4.279 4.340 -0.004 0.000 0.204 527 L C 2.721 179.604 176.870 0.021 0.000 1.080 527 L CA 0.907 55.777 54.840 0.050 0.000 0.759 527 L CB -0.908 41.181 42.059 0.050 0.000 0.914 527 L HN 0.344 nan 8.230 nan 0.000 0.439 528 A N -0.051 122.765 122.820 -0.006 0.000 1.940 528 A HA -0.278 4.040 4.320 -0.004 0.000 0.219 528 A C 2.191 179.756 177.584 -0.032 0.000 1.176 528 A CA 1.512 53.529 52.037 -0.032 0.000 0.631 528 A CB -0.887 18.074 19.000 -0.065 0.000 0.814 528 A HN 0.430 nan 8.150 nan 0.000 0.446 529 F N 2.079 121.902 119.950 -0.211 0.000 2.269 529 F HA -0.069 4.455 4.527 -0.004 0.000 0.301 529 F C 1.676 177.437 175.800 -0.065 0.000 1.082 529 F CA 1.423 59.319 58.000 -0.173 0.000 1.360 529 F CB -0.440 38.423 39.000 -0.228 0.000 1.041 529 F HN 0.266 nan 8.300 nan 0.000 0.512 530 T N -1.310 113.255 114.554 0.018 0.000 2.856 530 T HA 0.078 4.426 4.350 -0.004 0.000 0.306 530 T C -1.472 173.170 174.700 -0.097 0.000 1.062 530 T CA -1.248 60.845 62.100 -0.012 0.000 1.083 530 T CB 0.773 69.671 68.868 0.050 0.000 0.984 530 T HN -0.089 nan 8.240 nan 0.000 0.542 531 P HA -0.057 nan 4.420 nan 0.000 0.217 531 P C 0.983 178.279 177.300 -0.007 0.000 1.148 531 P CA 0.942 63.993 63.100 -0.081 0.000 0.828 531 P CB 0.047 31.709 31.700 -0.062 0.000 0.783 532 D N -1.172 119.248 120.400 0.032 0.000 2.347 532 D HA 0.044 4.682 4.640 -0.004 0.000 0.213 532 D C 1.353 177.721 176.300 0.114 0.000 0.985 532 D CA 0.489 54.561 54.000 0.120 0.000 0.879 532 D CB -0.291 40.547 40.800 0.063 0.000 0.919 532 D HN 0.095 nan 8.370 nan 0.000 0.526 533 G N 1.619 110.437 108.800 0.029 0.000 2.606 533 G HA2 0.298 4.256 3.960 -0.004 0.000 0.252 533 G HA3 0.298 4.256 3.960 -0.004 0.000 0.252 533 G C -2.415 172.502 174.900 0.029 0.000 1.206 533 G CA -0.737 44.377 45.100 0.024 0.000 0.861 533 G HN -0.041 nan 8.290 nan 0.000 0.561 534 P HA 0.279 nan 4.420 nan 0.000 0.272 534 P C -0.452 176.836 177.300 -0.019 0.000 1.230 534 P CA -0.233 62.875 63.100 0.012 0.000 0.788 534 P CB 0.781 32.481 31.700 -0.001 0.000 0.949 535 L N 0.935 122.146 121.223 -0.020 0.000 2.346 535 L HA 0.654 4.992 4.340 -0.004 0.000 0.276 535 L C -0.204 176.652 176.870 -0.025 0.000 1.006 535 L CA -0.924 53.898 54.840 -0.030 0.000 0.817 535 L CB 2.142 44.182 42.059 -0.032 0.000 1.272 535 L HN 0.118 nan 8.230 nan 0.000 0.421 536 V N 1.669 121.568 119.914 -0.025 0.000 3.001 536 V HA 0.583 4.701 4.120 -0.004 0.000 0.314 536 V C -0.092 175.996 176.094 -0.009 0.000 1.099 536 V CA -0.415 61.873 62.300 -0.020 0.000 0.989 536 V CB 2.679 34.481 31.823 -0.034 0.000 1.040 536 V HN 0.888 nan 8.190 nan 0.000 0.434 537 S N 4.263 119.961 115.700 -0.002 0.000 2.580 537 S HA 0.693 5.161 4.470 -0.004 0.000 0.274 537 S C -0.680 173.932 174.600 0.020 0.000 1.329 537 S CA -0.477 57.726 58.200 0.005 0.000 1.036 537 S CB 1.353 64.553 63.200 -0.000 0.000 0.919 537 S HN 0.864 nan 8.310 nan 0.000 0.515 538 V N 2.427 122.355 119.914 0.024 0.000 2.531 538 V HA 0.651 4.769 4.120 -0.004 0.000 0.301 538 V C 1.009 177.125 176.094 0.037 0.000 1.034 538 V CA -0.514 61.809 62.300 0.038 0.000 0.865 538 V CB 1.478 33.324 31.823 0.038 0.000 0.995 538 V HN 1.192 nan 8.190 nan 0.000 0.424 539 G N 2.484 111.309 108.800 0.041 0.000 2.636 539 G HA2 0.289 4.247 3.960 -0.004 0.000 0.246 539 G HA3 0.289 4.247 3.960 -0.004 0.000 0.246 539 G C 0.614 175.536 174.900 0.036 0.000 1.216 539 G CA -0.144 44.976 45.100 0.033 0.000 0.854 539 G HN 0.779 nan 8.290 nan 0.000 0.572 540 R N 0.078 120.596 120.500 0.031 0.000 2.062 540 R HA -0.107 4.231 4.340 -0.004 0.000 0.231 540 R C 2.399 178.721 176.300 0.037 0.000 1.136 540 R CA 1.778 57.899 56.100 0.035 0.000 0.948 540 R CB -0.458 29.858 30.300 0.028 0.000 0.845 540 R HN 0.746 nan 8.270 nan 0.000 0.430 541 N N 0.279 118.996 118.700 0.030 0.000 2.120 541 N HA -0.237 4.501 4.740 -0.004 0.000 0.188 541 N C 1.650 177.180 175.510 0.033 0.000 1.024 541 N CA 1.542 54.608 53.050 0.028 0.000 0.852 541 N CB -0.044 38.454 38.487 0.019 0.000 1.003 541 N HN 0.405 nan 8.380 nan 0.000 0.424 542 E N 0.779 121.001 120.200 0.035 0.000 2.058 542 E HA -0.251 4.097 4.350 -0.004 0.000 0.194 542 E C 1.879 178.511 176.600 0.053 0.000 0.997 542 E CA 1.283 57.709 56.400 0.044 0.000 0.801 542 E CB -0.138 29.593 29.700 0.052 0.000 0.746 542 E HN 0.446 nan 8.360 nan 0.000 0.450 543 E N 0.340 120.573 120.200 0.056 0.000 2.085 543 E HA -0.260 4.088 4.350 -0.004 0.000 0.194 543 E C 1.900 178.545 176.600 0.076 0.000 0.994 543 E CA 1.586 58.027 56.400 0.068 0.000 0.801 543 E CB 0.025 29.771 29.700 0.078 0.000 0.743 543 E HN 0.340 nan 8.360 nan 0.000 0.453 544 E N 0.235 120.475 120.200 0.066 0.000 2.051 544 E HA -0.213 4.134 4.350 -0.004 0.000 0.192 544 E C 2.142 178.774 176.600 0.054 0.000 0.991 544 E CA 1.312 57.749 56.400 0.063 0.000 0.799 544 E CB -0.089 29.640 29.700 0.048 0.000 0.748 544 E HN 0.399 nan 8.360 nan 0.000 0.449 545 E N 0.710 120.936 120.200 0.043 0.000 2.118 545 E HA -0.180 4.168 4.350 -0.004 0.000 0.195 545 E C 2.213 178.837 176.600 0.040 0.000 0.992 545 E CA 0.749 57.170 56.400 0.036 0.000 0.804 545 E CB -0.066 29.651 29.700 0.028 0.000 0.741 545 E HN 0.218 nan 8.360 nan 0.000 0.458 546 L N 0.545 121.796 121.223 0.046 0.000 2.056 546 L HA -0.185 4.153 4.340 -0.004 0.000 0.207 546 L C 2.400 179.293 176.870 0.037 0.000 1.078 546 L CA 0.900 55.762 54.840 0.037 0.000 0.749 546 L CB -0.303 41.776 42.059 0.034 0.000 0.901 546 L HN 0.171 nan 8.230 nan 0.000 0.433 547 I N -0.219 120.393 120.570 0.069 0.000 2.226 547 I HA -0.309 3.858 4.170 -0.004 0.000 0.245 547 I C 2.623 178.787 176.117 0.078 0.000 1.100 547 I CA 1.460 62.824 61.300 0.106 0.000 1.374 547 I CB -0.310 37.789 38.000 0.165 0.000 1.057 547 I HN 0.346 nan 8.210 nan 0.000 0.413 548 E N 1.180 121.414 120.200 0.058 0.000 2.118 548 E HA -0.286 4.062 4.350 -0.004 0.000 0.195 548 E C 2.225 178.841 176.600 0.028 0.000 0.992 548 E CA 1.317 57.741 56.400 0.040 0.000 0.804 548 E CB -0.054 29.665 29.700 0.032 0.000 0.741 548 E HN 0.322 nan 8.360 nan 0.000 0.458 549 L N 0.925 122.161 121.223 0.023 0.000 2.046 549 L HA -0.132 4.205 4.340 -0.004 0.000 0.208 549 L C 2.169 179.037 176.870 -0.004 0.000 1.077 549 L CA 1.513 56.358 54.840 0.008 0.000 0.747 549 L CB -0.505 41.558 42.059 0.007 0.000 0.896 549 L HN 0.263 nan 8.230 nan 0.000 0.432 550 L N -0.440 120.782 121.223 -0.002 0.000 2.129 550 L HA -0.225 4.113 4.340 -0.004 0.000 0.212 550 L C 2.376 179.252 176.870 0.010 0.000 1.087 550 L CA 1.187 56.024 54.840 -0.005 0.000 0.757 550 L CB -0.568 41.516 42.059 0.041 0.000 0.896 550 L HN 0.381 nan 8.230 nan 0.000 0.434 551 E N -0.643 119.570 120.200 0.021 0.000 2.427 551 E HA -0.118 4.230 4.350 -0.004 0.000 0.196 551 E C 0.805 177.410 176.600 0.008 0.000 1.028 551 E CA 0.664 57.075 56.400 0.019 0.000 0.864 551 E CB 0.132 29.848 29.700 0.025 0.000 0.813 551 E HN 0.546 nan 8.360 nan 0.000 0.514 552 D N -0.136 120.265 120.400 0.002 0.000 2.469 552 D HA 0.039 4.676 4.640 -0.004 0.000 0.213 552 D C 0.017 176.311 176.300 -0.008 0.000 1.135 552 D CA -0.226 53.773 54.000 -0.001 0.000 0.834 552 D CB 0.749 41.550 40.800 0.003 0.000 1.009 552 D HN 0.039 nan 8.370 nan 0.000 0.507 553 L N 2.360 123.572 121.223 -0.019 0.000 2.418 553 L HA 0.045 4.383 4.340 -0.004 0.000 0.274 553 L C 1.266 178.120 176.870 -0.027 0.000 1.135 553 L CA 0.396 55.217 54.840 -0.031 0.000 0.870 553 L CB 0.738 42.762 42.059 -0.059 0.000 1.154 553 L HN -0.146 nan 8.230 nan 0.000 0.462 554 D N 1.771 122.158 120.400 -0.022 0.000 2.084 554 D HA -0.138 4.500 4.640 -0.004 0.000 0.196 554 D C 0.849 177.132 176.300 -0.027 0.000 0.985 554 D CA 0.641 54.630 54.000 -0.018 0.000 0.826 554 D CB -0.095 40.699 40.800 -0.010 0.000 0.978 554 D HN 0.569 nan 8.370 nan 0.000 0.456 555 c N 2.279 120.857 118.600 -0.037 0.000 2.502 555 c HA -0.037 4.530 4.570 -0.004 0.000 0.404 555 c C 0.821 174.864 174.090 -0.078 0.000 1.409 555 c CA -0.051 56.245 56.329 -0.055 0.000 1.648 555 c CB -0.632 41.839 42.510 -0.065 0.000 2.571 555 c HN 0.118 nan 8.230 nan 0.000 0.601 556 E N 3.002 123.152 120.200 -0.084 0.000 2.301 556 E HA 0.538 4.886 4.350 -0.004 0.000 0.275 556 E C -0.591 175.892 176.600 -0.195 0.000 1.030 556 E CA -0.121 56.215 56.400 -0.106 0.000 0.852 556 E CB 0.697 30.361 29.700 -0.060 0.000 1.060 556 E HN 0.627 nan 8.360 nan 0.000 0.401 557 L N 4.404 125.489 121.223 -0.231 0.000 2.379 557 L HA 0.267 4.605 4.340 -0.004 0.000 0.269 557 L C 0.740 177.341 176.870 -0.447 0.000 1.084 557 L CA -0.537 54.113 54.840 -0.316 0.000 0.802 557 L CB 0.753 42.594 42.059 -0.363 0.000 1.175 557 L HN 0.598 nan 8.230 nan 0.000 0.448 558 L N 2.802 123.764 121.223 -0.436 0.000 2.592 558 L HA 0.285 4.623 4.340 -0.004 0.000 0.227 558 L C -0.107 176.582 176.870 -0.301 0.000 1.127 558 L CA 0.354 54.819 54.840 -0.625 0.000 0.884 558 L CB -0.160 41.704 42.059 -0.324 0.000 1.065 558 L HN 0.432 nan 8.230 nan 0.000 0.457 559 I N -0.930 119.555 120.570 -0.141 0.000 2.582 559 I HA 0.208 4.376 4.170 -0.004 0.000 0.292 559 I C 0.041 176.175 176.117 0.029 0.000 1.066 559 I CA -0.577 60.715 61.300 -0.014 0.000 1.053 559 I CB 2.500 40.442 38.000 -0.096 0.000 1.241 559 I HN -0.055 nan 8.210 nan 0.000 0.421 560 E N 4.995 125.199 120.200 0.007 0.000 2.373 560 E HA 0.032 4.380 4.350 -0.004 0.000 0.267 560 E C -0.211 176.205 176.600 -0.307 0.000 1.032 560 E CA -0.346 56.019 56.400 -0.059 0.000 0.889 560 E CB 0.855 30.559 29.700 0.007 0.000 0.984 560 E HN 0.545 nan 8.360 nan 0.000 0.425 561 E N 4.565 124.485 120.200 -0.466 0.000 2.415 561 E HA 0.049 4.397 4.350 -0.004 0.000 0.260 561 E C -2.138 174.102 176.600 -0.598 0.000 1.016 561 E CA -1.510 54.373 56.400 -0.862 0.000 0.924 561 E CB 0.532 29.919 29.700 -0.521 0.000 0.961 561 E HN 0.255 nan 8.360 nan 0.000 0.459 562 P HA -0.049 nan 4.420 nan 0.000 0.269 562 P C -0.672 176.530 177.300 -0.163 0.000 1.209 562 P CA 0.346 63.359 63.100 -0.146 0.000 0.776 562 P CB 0.351 32.078 31.700 0.046 0.000 0.876 563 Y N -0.895 119.419 120.300 0.023 0.000 2.503 563 Y HA 0.074 4.621 4.550 -0.005 0.000 0.278 563 Y C 1.224 177.128 175.900 0.007 0.000 1.111 563 Y CA 0.566 58.666 58.100 -0.001 0.000 1.270 563 Y CB 0.246 38.704 38.460 -0.004 0.000 1.063 563 Y HN 0.242 nan 8.280 nan 0.000 0.548 564 E N 1.181 121.492 120.200 0.184 0.000 2.283 564 E HA -0.003 4.345 4.350 -0.004 0.000 0.278 564 E C 0.597 177.275 176.600 0.130 0.000 1.027 564 E CA -0.082 56.395 56.400 0.129 0.000 0.843 564 E CB 1.411 31.182 29.700 0.118 0.000 1.062 564 E HN 0.386 nan 8.360 nan 0.000 0.401 565 E N 2.389 122.643 120.200 0.089 0.000 2.058 565 E HA -0.217 4.131 4.350 -0.004 0.000 0.194 565 E C 0.772 177.465 176.600 0.155 0.000 0.997 565 E CA 1.204 57.663 56.400 0.099 0.000 0.801 565 E CB 0.319 30.049 29.700 0.050 0.000 0.746 565 E HN 0.453 nan 8.360 nan 0.000 0.450 566 D N 0.177 120.643 120.400 0.109 0.000 2.117 566 D HA -0.135 4.503 4.640 -0.004 0.000 0.198 566 D C 1.790 178.161 176.300 0.117 0.000 0.982 566 D CA 0.847 54.900 54.000 0.089 0.000 0.828 566 D CB -0.029 40.797 40.800 0.042 0.000 0.967 566 D HN 0.276 nan 8.370 nan 0.000 0.464 567 E N -0.375 119.915 120.200 0.150 0.000 2.150 567 E HA -0.173 4.174 4.350 -0.004 0.000 0.193 567 E C 1.931 178.721 176.600 0.317 0.000 0.985 567 E CA 0.409 56.937 56.400 0.214 0.000 0.814 567 E CB -0.057 29.781 29.700 0.230 0.000 0.752 567 E HN 0.355 nan 8.360 nan 0.000 0.466 568 Y N 1.174 121.561 120.300 0.146 0.000 2.242 568 Y HA -0.205 4.343 4.550 -0.003 0.000 0.291 568 Y C 2.439 178.467 175.900 0.213 0.000 1.137 568 Y CA 1.576 59.763 58.100 0.146 0.000 1.181 568 Y CB -0.010 38.481 38.460 0.051 0.000 0.989 568 Y HN -0.082 nan 8.280 nan 0.000 0.527 569 S N 0.634 116.491 115.700 0.261 0.000 2.370 569 S HA -0.204 4.263 4.470 -0.004 0.000 0.226 569 S C 2.004 176.665 174.600 0.101 0.000 1.033 569 S CA 1.642 59.933 58.200 0.152 0.000 1.011 569 S CB -0.592 62.685 63.200 0.129 0.000 0.852 569 S HN 0.457 nan 8.310 nan 0.000 0.457 570 L N -0.289 121.009 121.223 0.126 0.000 2.046 570 L HA -0.156 4.182 4.340 -0.004 0.000 0.208 570 L C 2.321 179.354 176.870 0.271 0.000 1.077 570 L CA 1.653 56.547 54.840 0.090 0.000 0.747 570 L CB -0.649 41.355 42.059 -0.090 0.000 0.896 570 L HN 0.344 nan 8.230 nan 0.000 0.432 571 Y N 0.676 121.141 120.300 0.275 0.000 2.165 571 Y HA -0.289 4.258 4.550 -0.004 0.000 0.286 571 Y C 2.519 178.467 175.900 0.080 0.000 1.155 571 Y CA 1.495 59.711 58.100 0.193 0.000 1.164 571 Y CB 0.164 38.593 38.460 -0.052 0.000 0.978 571 Y HN 0.006 nan 8.280 nan 0.000 0.513 572 I N 0.501 121.065 120.570 -0.011 0.000 2.353 572 I HA -0.283 3.885 4.170 -0.004 0.000 0.248 572 I C 2.300 178.403 176.117 -0.023 0.000 1.119 572 I CA 1.186 62.440 61.300 -0.078 0.000 1.417 572 I CB -1.585 36.368 38.000 -0.078 0.000 1.078 572 I HN 0.428 nan 8.210 nan 0.000 0.421 573 N N 1.679 120.382 118.700 0.005 0.000 2.104 573 N HA -0.162 4.576 4.740 -0.004 0.000 0.190 573 N C 1.826 177.319 175.510 -0.027 0.000 1.024 573 N CA 1.806 54.853 53.050 -0.004 0.000 0.853 573 N CB 0.227 38.711 38.487 -0.006 0.000 1.008 573 N HN 0.329 nan 8.380 nan 0.000 0.424 574 A N 0.870 123.662 122.820 -0.047 0.000 1.972 574 A HA -0.096 4.222 4.320 -0.004 0.000 0.219 574 A C 2.185 179.742 177.584 -0.044 0.000 1.169 574 A CA 0.752 52.711 52.037 -0.131 0.000 0.635 574 A CB -0.536 18.247 19.000 -0.363 0.000 0.810 574 A HN 0.349 nan 8.150 nan 0.000 0.446 575 L N -0.093 121.167 121.223 0.061 0.000 2.056 575 L HA -0.071 4.267 4.340 -0.004 0.000 0.207 575 L C 2.253 179.130 176.870 0.012 0.000 1.078 575 L CA 2.488 57.376 54.840 0.080 0.000 0.749 575 L CB -0.543 41.494 42.059 -0.035 0.000 0.901 575 L HN 0.446 nan 8.230 nan 0.000 0.433 576 K N -1.004 119.394 120.400 -0.004 0.000 2.032 576 K HA -0.160 4.158 4.320 -0.004 0.000 0.209 576 K C 1.901 178.430 176.600 -0.119 0.000 1.048 576 K CA 2.017 58.290 56.287 -0.023 0.000 0.927 576 K CB -0.188 32.316 32.500 0.006 0.000 0.712 576 K HN 0.259 nan 8.250 nan 0.000 0.441 577 V N 1.433 121.292 119.914 -0.092 0.000 2.252 577 V HA -0.310 3.808 4.120 -0.004 0.000 0.249 577 V C 2.489 178.530 176.094 -0.087 0.000 1.056 577 V CA 2.109 64.346 62.300 -0.106 0.000 1.022 577 V CB -0.964 30.819 31.823 -0.067 0.000 0.641 577 V HN 0.544 nan 8.190 nan 0.000 0.445 578 A N -0.274 122.526 122.820 -0.033 0.000 1.892 578 A HA -0.225 4.093 4.320 -0.004 0.000 0.218 578 A C 2.236 179.816 177.584 -0.006 0.000 1.188 578 A CA 2.213 54.256 52.037 0.009 0.000 0.631 578 A CB -0.643 18.392 19.000 0.057 0.000 0.822 578 A HN 0.520 nan 8.150 nan 0.000 0.447 579 L N -0.795 120.409 121.223 -0.032 0.000 2.093 579 L HA -0.165 4.173 4.340 -0.004 0.000 0.208 579 L C 2.489 179.290 176.870 -0.115 0.000 1.085 579 L CA 1.118 55.955 54.840 -0.005 0.000 0.755 579 L CB -0.474 41.641 42.059 0.094 0.000 0.904 579 L HN 0.398 nan 8.230 nan 0.000 0.435 580 I N -0.942 119.384 120.570 -0.408 0.000 2.142 580 I HA -0.317 3.851 4.170 -0.004 0.000 0.240 580 I C 2.592 178.660 176.117 -0.083 0.000 1.078 580 I CA 1.146 62.144 61.300 -0.503 0.000 1.343 580 I CB -0.249 37.411 38.000 -0.565 0.000 1.046 580 I HN 0.255 nan 8.210 nan 0.000 0.405 581 M N 0.453 120.039 119.600 -0.023 0.000 2.149 581 M HA -0.244 4.234 4.480 -0.004 0.000 0.261 581 M C 2.306 178.726 176.300 0.200 0.000 1.064 581 M CA 1.734 57.111 55.300 0.128 0.000 1.102 581 M CB -1.186 31.473 32.600 0.099 0.000 1.369 581 M HN 0.201 nan 8.290 nan 0.000 0.408 582 K N 0.234 120.704 120.400 0.118 0.000 2.097 582 K HA -0.177 4.141 4.320 -0.004 0.000 0.205 582 K C 1.415 178.087 176.600 0.119 0.000 1.050 582 K CA 1.585 57.936 56.287 0.107 0.000 0.938 582 K CB 0.062 32.610 32.500 0.081 0.000 0.718 582 K HN 0.149 nan 8.250 nan 0.000 0.442 583 D N 0.155 120.650 120.400 0.159 0.000 2.117 583 D HA -0.207 4.431 4.640 -0.004 0.000 0.198 583 D C 1.445 177.863 176.300 0.196 0.000 0.982 583 D CA 0.860 54.969 54.000 0.181 0.000 0.828 583 D CB -0.404 40.559 40.800 0.272 0.000 0.967 583 D HN 0.452 nan 8.370 nan 0.000 0.464 584 W N 1.089 122.409 121.300 0.033 0.000 2.335 584 W HA -0.238 4.420 4.660 -0.003 0.000 0.311 584 W C 1.936 178.464 176.519 0.014 0.000 1.213 584 W CA 0.887 58.244 57.345 0.021 0.000 1.274 584 W CB -0.370 29.095 29.460 0.008 0.000 1.148 584 W HN -0.027 nan 8.180 nan 0.000 0.498 585 M N 0.735 120.276 119.600 -0.099 0.000 2.159 585 M HA -0.199 4.278 4.480 -0.004 0.000 0.263 585 M C 0.967 177.145 176.300 -0.202 0.000 1.063 585 M CA 1.839 56.995 55.300 -0.241 0.000 1.110 585 M CB -0.521 32.048 32.600 -0.052 0.000 1.374 585 M HN -0.226 nan 8.290 nan 0.000 0.411 586 D N 0.324 120.668 120.400 -0.094 0.000 2.336 586 D HA -0.022 4.616 4.640 -0.004 0.000 0.229 586 D C -0.098 176.147 176.300 -0.092 0.000 1.061 586 D CA 0.409 54.365 54.000 -0.074 0.000 0.875 586 D CB -0.134 40.657 40.800 -0.014 0.000 0.904 586 D HN 0.372 nan 8.370 nan 0.000 0.525 587 E N -0.828 119.282 120.200 -0.150 0.000 2.637 587 E HA -0.164 4.184 4.350 -0.004 0.000 0.265 587 E C -0.402 176.172 176.600 -0.044 0.000 1.073 587 E CA -0.115 56.197 56.400 -0.145 0.000 0.778 587 E CB -1.463 28.145 29.700 -0.153 0.000 1.362 587 E HN 0.090 nan 8.360 nan 0.000 0.413 588 V N 1.164 121.086 119.914 0.014 0.000 2.655 588 V HA -0.032 4.086 4.120 -0.004 0.000 0.300 588 V C 0.825 176.968 176.094 0.081 0.000 1.044 588 V CA 0.449 62.782 62.300 0.056 0.000 1.095 588 V CB 0.899 32.780 31.823 0.096 0.000 0.952 588 V HN 0.221 nan 8.190 nan 0.000 0.485 589 D N 2.677 123.116 120.400 0.065 0.000 2.525 589 D HA -0.051 4.587 4.640 -0.004 0.000 0.235 589 D C 1.266 177.632 176.300 0.111 0.000 1.137 589 D CA 0.662 54.707 54.000 0.075 0.000 0.868 589 D CB 0.661 41.492 40.800 0.053 0.000 1.180 589 D HN 0.782 nan 8.370 nan 0.000 0.465 590 E N 2.345 122.624 120.200 0.131 0.000 2.086 590 E HA -0.318 4.030 4.350 -0.004 0.000 0.200 590 E C 0.901 177.567 176.600 0.111 0.000 1.012 590 E CA 1.823 58.311 56.400 0.147 0.000 0.812 590 E CB 0.118 29.899 29.700 0.135 0.000 0.743 590 E HN 0.565 nan 8.360 nan 0.000 0.453 591 D N -0.362 120.088 120.400 0.083 0.000 2.144 591 D HA -0.127 4.511 4.640 -0.004 0.000 0.199 591 D C 1.970 178.307 176.300 0.062 0.000 0.984 591 D CA 1.678 55.717 54.000 0.066 0.000 0.834 591 D CB -0.448 40.382 40.800 0.050 0.000 0.955 591 D HN 0.264 nan 8.370 nan 0.000 0.465 592 T N 1.396 115.987 114.554 0.062 0.000 2.674 592 T HA -0.099 4.248 4.350 -0.004 0.000 0.265 592 T C 2.267 177.006 174.700 0.065 0.000 1.039 592 T CA 0.672 62.800 62.100 0.047 0.000 1.150 592 T CB -0.235 68.661 68.868 0.045 0.000 0.864 592 T HN 0.160 nan 8.240 nan 0.000 0.427 593 I N 0.849 121.498 120.570 0.131 0.000 2.208 593 I HA -0.158 4.009 4.170 -0.004 0.000 0.245 593 I C 2.310 178.571 176.117 0.239 0.000 1.097 593 I CA 1.262 62.707 61.300 0.242 0.000 1.363 593 I CB -0.488 37.675 38.000 0.271 0.000 1.051 593 I HN 0.206 nan 8.210 nan 0.000 0.413 594 L N -0.337 120.975 121.223 0.149 0.000 2.046 594 L HA -0.200 4.138 4.340 -0.004 0.000 0.208 594 L C 2.730 179.657 176.870 0.094 0.000 1.077 594 L CA 1.436 56.349 54.840 0.122 0.000 0.747 594 L CB -0.635 41.475 42.059 0.086 0.000 0.896 594 L HN 0.258 nan 8.230 nan 0.000 0.432 595 S N -0.043 115.690 115.700 0.056 0.000 2.371 595 S HA -0.199 4.269 4.470 -0.004 0.000 0.224 595 S C 2.079 176.662 174.600 -0.029 0.000 1.029 595 S CA 1.267 59.478 58.200 0.018 0.000 0.978 595 S CB -0.034 63.170 63.200 0.007 0.000 0.833 595 S HN 0.292 nan 8.310 nan 0.000 0.466 596 K N -0.690 119.653 120.400 -0.094 0.000 2.074 596 K HA -0.151 4.167 4.320 -0.004 0.000 0.209 596 K C 1.062 177.438 176.600 -0.374 0.000 1.048 596 K CA 1.868 57.976 56.287 -0.298 0.000 0.926 596 K CB -0.246 31.954 32.500 -0.500 0.000 0.713 596 K HN 0.589 nan 8.250 nan 0.000 0.444 597 Y N -0.174 120.139 120.300 0.021 0.000 2.467 597 Y HA 0.170 4.718 4.550 -0.004 0.000 0.250 597 Y C 0.195 176.102 175.900 0.012 0.000 1.155 597 Y CA -0.164 57.946 58.100 0.017 0.000 1.249 597 Y CB 0.269 38.741 38.460 0.019 0.000 1.146 597 Y HN 0.207 nan 8.280 nan 0.000 0.524 598 N N 1.889 120.658 118.700 0.116 0.000 2.738 598 N HA -0.205 4.533 4.740 -0.004 0.000 0.249 598 N C -0.705 174.853 175.510 0.079 0.000 1.047 598 N CA 0.425 53.519 53.050 0.074 0.000 0.707 598 N CB -1.107 37.409 38.487 0.047 0.000 0.937 598 N HN 0.573 nan 8.380 nan 0.000 0.545 599 I N -2.835 117.794 120.570 0.098 0.000 2.957 599 I HA 0.809 4.977 4.170 -0.004 0.000 0.310 599 I C 0.897 177.055 176.117 0.067 0.000 1.063 599 I CA -0.839 60.502 61.300 0.069 0.000 1.033 599 I CB 1.924 39.957 38.000 0.055 0.000 1.230 599 I HN -0.062 nan 8.210 nan 0.000 0.447 600 G N 0.926 109.762 108.800 0.060 0.000 2.477 600 G HA2 0.364 4.322 3.960 -0.004 0.000 0.304 600 G HA3 0.364 4.322 3.960 -0.004 0.000 0.304 600 G C 0.795 175.719 174.900 0.041 0.000 1.175 600 G CA -0.062 45.084 45.100 0.077 0.000 0.907 600 G HN 0.917 nan 8.290 nan 0.000 0.509 601 S N 0.225 115.946 115.700 0.035 0.000 2.383 601 S HA -0.114 4.354 4.470 -0.004 0.000 0.229 601 S C 2.362 176.947 174.600 -0.026 0.000 1.030 601 S CA 1.656 59.858 58.200 0.002 0.000 1.002 601 S CB -0.619 62.583 63.200 0.004 0.000 0.829 601 S HN 0.884 nan 8.310 nan 0.000 0.467 602 G N 1.804 110.598 108.800 -0.011 0.000 2.408 602 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.217 602 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.217 602 G C 1.159 176.043 174.900 -0.027 0.000 1.150 602 G CA 0.881 45.968 45.100 -0.021 0.000 0.776 602 G HN 0.492 nan 8.290 nan 0.000 0.542 603 D N 0.371 120.765 120.400 -0.011 0.000 2.104 603 D HA -0.121 4.516 4.640 -0.004 0.000 0.194 603 D C 2.416 178.671 176.300 -0.075 0.000 0.994 603 D CA 0.785 54.768 54.000 -0.028 0.000 0.830 603 D CB -0.387 40.407 40.800 -0.010 0.000 0.959 603 D HN 0.233 nan 8.370 nan 0.000 0.452 604 L N 1.210 122.376 121.223 -0.094 0.000 2.012 604 L HA -0.154 4.184 4.340 -0.004 0.000 0.210 604 L C 2.254 178.963 176.870 -0.269 0.000 1.073 604 L CA 1.720 56.451 54.840 -0.181 0.000 0.748 604 L CB -0.336 41.623 42.059 -0.167 0.000 0.891 604 L HN -0.153 nan 8.230 nan 0.000 0.431 605 R N -0.642 119.731 120.500 -0.211 0.000 2.092 605 R HA -0.092 4.246 4.340 -0.004 0.000 0.231 605 R C 2.104 178.312 176.300 -0.153 0.000 1.119 605 R CA 1.280 57.252 56.100 -0.214 0.000 0.970 605 R CB -0.391 29.828 30.300 -0.137 0.000 0.864 605 R HN 0.467 nan 8.270 nan 0.000 0.440 606 N N 0.666 119.306 118.700 -0.101 0.000 2.084 606 N HA -0.209 4.529 4.740 -0.004 0.000 0.190 606 N C 1.714 177.190 175.510 -0.056 0.000 1.030 606 N CA 1.424 54.439 53.050 -0.058 0.000 0.849 606 N CB -0.192 38.278 38.487 -0.029 0.000 1.012 606 N HN 0.197 nan 8.380 nan 0.000 0.423 607 M N 0.654 120.201 119.600 -0.088 0.000 2.080 607 M HA -0.153 4.325 4.480 -0.004 0.000 0.260 607 M C 1.867 178.106 176.300 -0.102 0.000 1.068 607 M CA 1.299 56.548 55.300 -0.085 0.000 1.109 607 M CB -0.013 32.512 32.600 -0.125 0.000 1.342 607 M HN -0.106 nan 8.290 nan 0.000 0.405 608 V N 0.596 120.377 119.914 -0.222 0.000 2.287 608 V HA -0.321 3.797 4.120 -0.004 0.000 0.248 608 V C 2.227 178.291 176.094 -0.051 0.000 1.053 608 V CA 2.465 64.618 62.300 -0.245 0.000 1.027 608 V CB -1.028 30.470 31.823 -0.542 0.000 0.646 608 V HN 0.641 nan 8.190 nan 0.000 0.447 609 E N -0.049 120.124 120.200 -0.045 0.000 2.077 609 E HA -0.239 4.109 4.350 -0.004 0.000 0.193 609 E C 2.123 178.796 176.600 0.122 0.000 0.989 609 E CA 2.023 58.435 56.400 0.020 0.000 0.800 609 E CB -0.255 29.432 29.700 -0.022 0.000 0.746 609 E HN 0.612 nan 8.360 nan 0.000 0.452 610 T N 0.976 115.616 114.554 0.144 0.000 2.777 610 T HA -0.116 4.232 4.350 -0.004 0.000 0.266 610 T C 1.757 176.628 174.700 0.284 0.000 1.040 610 T CA 1.459 63.738 62.100 0.297 0.000 1.141 610 T CB -0.062 68.941 68.868 0.225 0.000 0.868 610 T HN 0.190 nan 8.240 nan 0.000 0.444 611 M N 1.408 121.101 119.600 0.156 0.000 2.254 611 M HA -0.002 4.476 4.480 -0.004 0.000 0.265 611 M C 2.061 178.461 176.300 0.167 0.000 1.066 611 M CA 0.992 56.369 55.300 0.128 0.000 1.123 611 M CB -1.151 31.499 32.600 0.085 0.000 1.388 611 M HN 0.188 nan 8.290 nan 0.000 0.425 612 D N -0.300 120.214 120.400 0.191 0.000 2.092 612 D HA -0.231 4.407 4.640 -0.004 0.000 0.193 612 D C 1.859 178.341 176.300 0.303 0.000 0.994 612 D CA 1.379 55.509 54.000 0.217 0.000 0.828 612 D CB -0.285 40.622 40.800 0.178 0.000 0.963 612 D HN 0.445 nan 8.370 nan 0.000 0.450 613 W N 1.240 122.613 121.300 0.121 0.000 2.355 613 W HA -0.094 4.563 4.660 -0.004 0.000 0.309 613 W C 2.083 178.761 176.519 0.266 0.000 1.206 613 W CA 1.367 58.810 57.345 0.163 0.000 1.284 613 W CB -0.744 28.792 29.460 0.126 0.000 1.145 613 W HN 0.035 nan 8.180 nan 0.000 0.502 614 L N 0.482 121.672 121.223 -0.055 0.000 2.056 614 L HA -0.195 4.143 4.340 -0.004 0.000 0.207 614 L C 2.758 179.618 176.870 -0.017 0.000 1.078 614 L CA 2.044 56.742 54.840 -0.237 0.000 0.749 614 L CB -1.526 40.426 42.059 -0.179 0.000 0.901 614 L HN 0.157 nan 8.230 nan 0.000 0.433 615 T N -2.937 111.673 114.554 0.092 0.000 2.777 615 T HA -0.301 4.047 4.350 -0.004 0.000 0.266 615 T C 1.845 176.651 174.700 0.177 0.000 1.040 615 T CA 1.275 63.443 62.100 0.114 0.000 1.141 615 T CB -0.848 68.087 68.868 0.112 0.000 0.868 615 T HN 0.354 nan 8.240 nan 0.000 0.444 616 Y N 2.566 122.951 120.300 0.141 0.000 2.114 616 Y HA -0.205 4.343 4.550 -0.004 0.000 0.282 616 Y C 2.604 178.696 175.900 0.320 0.000 1.165 616 Y CA 1.917 60.167 58.100 0.250 0.000 1.148 616 Y CB -0.538 38.087 38.460 0.274 0.000 0.972 616 Y HN 0.259 nan 8.280 nan 0.000 0.504 617 S N 0.439 116.308 115.700 0.283 0.000 2.371 617 S HA -0.110 4.358 4.470 -0.004 0.000 0.224 617 S C 2.282 176.920 174.600 0.064 0.000 1.029 617 S CA 0.821 59.113 58.200 0.153 0.000 0.978 617 S CB -0.828 62.383 63.200 0.018 0.000 0.833 617 S HN 0.648 nan 8.310 nan 0.000 0.466 618 A N 1.212 124.061 122.820 0.048 0.000 1.917 618 A HA -0.185 4.132 4.320 -0.004 0.000 0.219 618 A C 1.960 179.565 177.584 0.036 0.000 1.182 618 A CA 1.907 53.973 52.037 0.048 0.000 0.633 618 A CB -1.111 17.920 19.000 0.053 0.000 0.819 618 A HN 0.585 nan 8.150 nan 0.000 0.448 619 Y N 0.453 120.688 120.300 -0.107 0.000 2.114 619 Y HA -0.312 4.236 4.550 -0.004 0.000 0.282 619 Y C 2.262 178.013 175.900 -0.247 0.000 1.165 619 Y CA 2.421 60.397 58.100 -0.207 0.000 1.148 619 Y CB -0.877 37.405 38.460 -0.297 0.000 0.972 619 Y HN 0.545 nan 8.280 nan 0.000 0.504 620 H N -0.540 118.305 119.070 -0.375 0.000 2.395 620 H HA -0.058 4.496 4.556 -0.004 0.000 0.299 620 H C 2.352 177.554 175.328 -0.210 0.000 1.070 620 H CA 1.629 57.428 56.048 -0.415 0.000 1.356 620 H CB -0.220 29.352 29.762 -0.315 0.000 1.401 620 H HN 0.319 nan 8.280 nan 0.000 0.524 621 L N -0.678 120.549 121.223 0.006 0.000 2.046 621 L HA -0.219 4.119 4.340 -0.004 0.000 0.208 621 L C 2.545 179.452 176.870 0.062 0.000 1.077 621 L CA 1.265 56.154 54.840 0.082 0.000 0.747 621 L CB -0.452 41.693 42.059 0.144 0.000 0.896 621 L HN 0.277 nan 8.230 nan 0.000 0.432 622 S N -0.604 115.086 115.700 -0.018 0.000 2.368 622 S HA -0.149 4.319 4.470 -0.004 0.000 0.225 622 S C 2.140 176.700 174.600 -0.067 0.000 1.030 622 S CA 1.043 59.232 58.200 -0.018 0.000 0.999 622 S CB -0.031 63.166 63.200 -0.005 0.000 0.844 622 S HN 0.288 nan 8.310 nan 0.000 0.459 623 R N 0.729 121.106 120.500 -0.205 0.000 2.075 623 R HA -0.019 4.319 4.340 -0.004 0.000 0.232 623 R C 2.290 178.543 176.300 -0.078 0.000 1.126 623 R CA 1.437 57.414 56.100 -0.204 0.000 0.963 623 R CB -0.901 29.154 30.300 -0.408 0.000 0.858 623 R HN 0.473 nan 8.270 nan 0.000 0.435 624 E N 1.202 121.384 120.200 -0.030 0.000 2.058 624 E HA -0.137 4.211 4.350 -0.004 0.000 0.194 624 E C 1.714 178.344 176.600 0.050 0.000 0.997 624 E CA 1.276 57.702 56.400 0.044 0.000 0.801 624 E CB -0.292 29.476 29.700 0.114 0.000 0.746 624 E HN 0.270 nan 8.360 nan 0.000 0.450 625 L N 0.251 121.502 121.223 0.047 0.000 2.610 625 L HA 0.131 4.469 4.340 -0.004 0.000 0.232 625 L C 0.398 177.264 176.870 -0.007 0.000 1.149 625 L CA 0.321 55.160 54.840 -0.001 0.000 0.872 625 L CB -0.384 41.660 42.059 -0.025 0.000 0.992 625 L HN 0.090 nan 8.230 nan 0.000 0.447 626 K N 0.507 120.906 120.400 -0.002 0.000 3.096 626 K HA -0.177 4.141 4.320 -0.004 0.000 0.266 626 K C -0.409 176.200 176.600 0.016 0.000 1.043 626 K CA 0.448 56.734 56.287 -0.002 0.000 0.758 626 K CB -1.803 30.694 32.500 -0.005 0.000 1.260 626 K HN 0.305 nan 8.250 nan 0.000 0.481 627 L N 1.103 122.349 121.223 0.037 0.000 2.360 627 L HA 0.191 4.528 4.340 -0.004 0.000 0.265 627 L C 1.126 178.046 176.870 0.083 0.000 1.066 627 L CA -0.747 54.147 54.840 0.091 0.000 0.929 627 L CB 0.553 42.721 42.059 0.181 0.000 1.306 627 L HN 0.132 nan 8.230 nan 0.000 0.434 628 N N 1.063 119.788 118.700 0.041 0.000 2.216 628 N HA -0.121 4.617 4.740 -0.004 0.000 0.183 628 N C 1.411 176.939 175.510 0.030 0.000 1.017 628 N CA 1.063 54.131 53.050 0.031 0.000 0.861 628 N CB 0.270 38.767 38.487 0.016 0.000 0.986 628 N HN 0.539 nan 8.380 nan 0.000 0.428 629 E N 0.258 120.455 120.200 -0.005 0.000 2.038 629 E HA -0.189 4.159 4.350 -0.004 0.000 0.195 629 E C 1.669 178.258 176.600 -0.017 0.000 1.000 629 E CA 0.963 57.338 56.400 -0.042 0.000 0.803 629 E CB -0.241 29.389 29.700 -0.117 0.000 0.750 629 E HN 0.476 nan 8.360 nan 0.000 0.448 630 H N 0.316 119.430 119.070 0.074 0.000 2.352 630 H HA -0.058 4.496 4.556 -0.004 0.000 0.299 630 H C 2.211 177.518 175.328 -0.035 0.000 1.097 630 H CA 1.461 57.554 56.048 0.074 0.000 1.311 630 H CB -0.384 29.460 29.762 0.137 0.000 1.377 630 H HN 0.221 nan 8.280 nan 0.000 0.504 631 A N 1.220 124.127 122.820 0.144 0.000 1.908 631 A HA -0.186 4.132 4.320 -0.004 0.000 0.218 631 A C 2.107 179.792 177.584 0.169 0.000 1.181 631 A CA 1.964 54.092 52.037 0.151 0.000 0.627 631 A CB -0.318 18.727 19.000 0.075 0.000 0.818 631 A HN 0.302 nan 8.150 nan 0.000 0.445 632 D N -0.168 120.280 120.400 0.081 0.000 2.144 632 D HA -0.112 4.526 4.640 -0.004 0.000 0.199 632 D C 1.889 178.162 176.300 -0.045 0.000 0.984 632 D CA 1.083 55.094 54.000 0.019 0.000 0.834 632 D CB -0.152 40.656 40.800 0.014 0.000 0.955 632 D HN 0.245 nan 8.370 nan 0.000 0.465 633 K N 0.428 120.790 120.400 -0.063 0.000 2.057 633 K HA 0.000 4.318 4.320 -0.004 0.000 0.206 633 K C 2.363 178.817 176.600 -0.244 0.000 1.050 633 K CA 0.298 56.507 56.287 -0.131 0.000 0.935 633 K CB -0.563 31.865 32.500 -0.121 0.000 0.715 633 K HN 0.258 nan 8.250 nan 0.000 0.439 634 L N 0.500 121.551 121.223 -0.287 0.000 2.141 634 L HA -0.066 4.272 4.340 -0.004 0.000 0.209 634 L C 2.758 179.520 176.870 -0.181 0.000 1.094 634 L CA 0.863 55.560 54.840 -0.238 0.000 0.763 634 L CB -0.283 41.692 42.059 -0.140 0.000 0.908 634 L HN 0.168 nan 8.230 nan 0.000 0.437 635 R N 0.762 121.095 120.500 -0.279 0.000 2.075 635 R HA -0.132 4.205 4.340 -0.004 0.000 0.232 635 R C 2.263 178.393 176.300 -0.283 0.000 1.126 635 R CA 1.399 57.169 56.100 -0.550 0.000 0.963 635 R CB -0.152 29.690 30.300 -0.763 0.000 0.858 635 R HN 0.281 nan 8.270 nan 0.000 0.435 636 I N 0.820 121.282 120.570 -0.180 0.000 2.286 636 I HA -0.257 3.911 4.170 -0.004 0.000 0.245 636 I C 2.277 178.349 176.117 -0.075 0.000 1.104 636 I CA 0.478 61.713 61.300 -0.109 0.000 1.397 636 I CB -0.232 37.723 38.000 -0.075 0.000 1.072 636 I HN 0.214 nan 8.210 nan 0.000 0.417 637 L N 1.295 122.474 121.223 -0.074 0.000 2.021 637 L HA -0.323 4.015 4.340 -0.004 0.000 0.215 637 L C 2.241 179.115 176.870 0.006 0.000 1.074 637 L CA 2.036 56.861 54.840 -0.024 0.000 0.760 637 L CB -1.153 40.887 42.059 -0.031 0.000 0.889 637 L HN 0.354 nan 8.230 nan 0.000 0.433 638 N N -0.403 118.290 118.700 -0.011 0.000 2.069 638 N HA -0.224 4.514 4.740 -0.004 0.000 0.191 638 N C 1.930 177.472 175.510 0.053 0.000 1.031 638 N CA 2.053 55.131 53.050 0.047 0.000 0.852 638 N CB -0.136 38.379 38.487 0.047 0.000 1.018 638 N HN 0.490 nan 8.380 nan 0.000 0.423 639 L N 0.542 121.764 121.223 -0.001 0.000 2.141 639 L HA -0.056 4.282 4.340 -0.004 0.000 0.209 639 L C 2.766 179.634 176.870 -0.004 0.000 1.094 639 L CA 0.676 55.516 54.840 -0.000 0.000 0.763 639 L CB -0.327 41.710 42.059 -0.035 0.000 0.908 639 L HN 0.143 nan 8.230 nan 0.000 0.437 640 R N -0.346 120.146 120.500 -0.015 0.000 2.066 640 R HA -0.100 4.238 4.340 -0.004 0.000 0.232 640 R C 2.304 178.600 176.300 -0.006 0.000 1.131 640 R CA 1.192 57.268 56.100 -0.040 0.000 0.955 640 R CB -0.454 29.824 30.300 -0.037 0.000 0.851 640 R HN 0.172 nan 8.270 nan 0.000 0.432 641 V N 1.283 121.261 119.914 0.106 0.000 2.427 641 V HA -0.228 3.890 4.120 -0.004 0.000 0.248 641 V C 2.568 178.907 176.094 0.408 0.000 1.051 641 V CA 1.596 64.067 62.300 0.285 0.000 1.048 641 V CB -0.596 31.371 31.823 0.240 0.000 0.666 641 V HN 0.337 nan 8.190 nan 0.000 0.456 642 R N -0.021 120.619 120.500 0.233 0.000 2.091 642 R HA -0.193 4.145 4.340 -0.004 0.000 0.238 642 R C 1.557 178.009 176.300 0.253 0.000 1.136 642 R CA 2.159 58.389 56.100 0.218 0.000 0.959 642 R CB -0.157 30.221 30.300 0.129 0.000 0.856 642 R HN 0.510 nan 8.270 nan 0.000 0.437 643 D N -1.753 118.726 120.400 0.131 0.000 2.449 643 D HA 0.103 4.741 4.640 -0.004 0.000 0.210 643 D C 0.214 176.339 176.300 -0.292 0.000 1.094 643 D CA 0.798 54.817 54.000 0.031 0.000 0.846 643 D CB 0.971 41.750 40.800 -0.035 0.000 1.003 643 D HN 0.468 nan 8.370 nan 0.000 0.504 644 G N 2.687 111.144 108.800 -0.572 0.000 2.353 644 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.294 644 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.294 644 G C 0.175 174.565 174.900 -0.850 0.000 1.077 644 G CA 0.664 44.805 45.100 -1.599 0.000 1.098 644 G HN 0.452 nan 8.290 nan 0.000 0.511 645 I N -3.325 116.970 120.570 -0.460 0.000 2.828 645 I HA 0.850 5.017 4.170 -0.004 0.000 0.302 645 I C -0.052 175.932 176.117 -0.221 0.000 1.101 645 I CA -1.953 59.166 61.300 -0.302 0.000 1.031 645 I CB 1.884 39.753 38.000 -0.218 0.000 1.231 645 I HN -0.007 nan 8.210 nan 0.000 0.427 646 K N 2.480 122.760 120.400 -0.201 0.000 2.258 646 K HA 0.084 4.402 4.320 -0.004 0.000 0.264 646 K C 0.968 177.479 176.600 -0.148 0.000 1.007 646 K CA 0.185 56.375 56.287 -0.161 0.000 0.941 646 K CB 0.948 33.348 32.500 -0.166 0.000 0.966 646 K HN 0.780 nan 8.250 nan 0.000 0.480 647 E N 1.933 122.068 120.200 -0.107 0.000 2.233 647 E HA -0.307 4.040 4.350 -0.004 0.000 0.199 647 E C 0.972 177.519 176.600 -0.088 0.000 1.004 647 E CA 1.790 58.141 56.400 -0.082 0.000 0.819 647 E CB 0.109 29.778 29.700 -0.053 0.000 0.738 647 E HN 0.729 nan 8.360 nan 0.000 0.478 648 E N 0.289 120.407 120.200 -0.137 0.000 2.209 648 E HA -0.208 4.140 4.350 -0.004 0.000 0.196 648 E C 1.808 178.318 176.600 -0.151 0.000 0.993 648 E CA 1.021 57.326 56.400 -0.159 0.000 0.819 648 E CB -0.232 29.247 29.700 -0.369 0.000 0.745 648 E HN 0.403 nan 8.360 nan 0.000 0.477 649 L N 0.754 121.867 121.223 -0.184 0.000 2.592 649 L HA 0.128 4.465 4.340 -0.004 0.000 0.227 649 L C 2.246 179.087 176.870 -0.048 0.000 1.127 649 L CA -0.161 54.610 54.840 -0.115 0.000 0.884 649 L CB -0.125 41.838 42.059 -0.160 0.000 1.065 649 L HN 0.155 nan 8.230 nan 0.000 0.457 650 L N -0.048 121.147 121.223 -0.046 0.000 2.042 650 L HA -0.235 4.103 4.340 -0.004 0.000 0.210 650 L C 2.333 179.198 176.870 -0.009 0.000 1.076 650 L CA 1.550 56.371 54.840 -0.032 0.000 0.749 650 L CB -0.414 41.624 42.059 -0.035 0.000 0.893 650 L HN 0.345 nan 8.230 nan 0.000 0.432 651 E N 0.152 120.357 120.200 0.008 0.000 2.077 651 E HA -0.197 4.151 4.350 -0.004 0.000 0.193 651 E C 2.375 178.987 176.600 0.020 0.000 0.989 651 E CA 0.986 57.397 56.400 0.017 0.000 0.800 651 E CB -0.064 29.653 29.700 0.029 0.000 0.746 651 E HN 0.418 nan 8.360 nan 0.000 0.452 652 L N 0.505 121.746 121.223 0.030 0.000 2.017 652 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 652 L C 2.604 179.482 176.870 0.013 0.000 1.073 652 L CA 0.991 55.848 54.840 0.029 0.000 0.745 652 L CB -0.602 41.489 42.059 0.052 0.000 0.894 652 L HN 0.188 nan 8.230 nan 0.000 0.432 653 V N -3.262 116.653 119.914 0.002 0.000 3.078 653 V HA -0.220 3.897 4.120 -0.004 0.000 0.265 653 V C 2.058 178.153 176.094 0.002 0.000 1.122 653 V CA 1.153 63.452 62.300 -0.003 0.000 1.141 653 V CB -0.790 31.024 31.823 -0.015 0.000 0.735 653 V HN 0.505 nan 8.190 nan 0.000 0.498 654 Q N 0.627 120.429 119.800 0.004 0.000 2.181 654 Q HA 0.011 4.348 4.340 -0.004 0.000 0.205 654 Q C 0.736 176.740 176.000 0.005 0.000 0.980 654 Q CA 1.319 57.126 55.803 0.006 0.000 0.862 654 Q CB -0.259 28.483 28.738 0.008 0.000 0.905 654 Q HN 0.673 nan 8.270 nan 0.000 0.429 655 I N 1.374 121.947 120.570 0.005 0.000 2.598 655 I HA -0.067 4.100 4.170 -0.004 0.000 0.284 655 I C 0.531 176.648 176.117 -0.001 0.000 1.140 655 I CA -0.233 61.069 61.300 0.003 0.000 1.420 655 I CB 0.738 38.740 38.000 0.004 0.000 1.387 655 I HN -0.050 nan 8.210 nan 0.000 0.553 656 S N 5.110 120.807 115.700 -0.004 0.000 2.546 656 S HA 0.228 4.696 4.470 -0.004 0.000 0.290 656 S C 1.152 175.748 174.600 -0.008 0.000 1.262 656 S CA 0.749 58.944 58.200 -0.009 0.000 1.083 656 S CB -0.146 63.045 63.200 -0.015 0.000 0.859 656 S HN 1.077 nan 8.310 nan 0.000 0.495 657 G N 3.008 111.804 108.800 -0.007 0.000 2.176 657 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.253 657 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.253 657 G C 0.025 174.925 174.900 -0.001 0.000 0.979 657 G CA 0.093 45.190 45.100 -0.005 0.000 0.641 657 G HN 1.001 nan 8.290 nan 0.000 0.530 658 V N 1.623 121.537 119.914 0.001 0.000 2.333 658 V HA 0.704 4.822 4.120 -0.004 0.000 0.274 658 V C 1.145 177.240 176.094 0.003 0.000 1.028 658 V CA 0.111 62.413 62.300 0.003 0.000 0.851 658 V CB 0.879 32.705 31.823 0.006 0.000 1.000 658 V HN 0.647 nan 8.190 nan 0.000 0.456 659 G N 3.517 112.319 108.800 0.003 0.000 2.583 659 G HA2 0.307 4.265 3.960 -0.004 0.000 0.280 659 G HA3 0.307 4.265 3.960 -0.004 0.000 0.280 659 G C 0.785 175.679 174.900 -0.010 0.000 1.376 659 G CA -0.464 44.638 45.100 0.003 0.000 1.043 659 G HN 0.561 nan 8.290 nan 0.000 0.538 660 R N -0.098 120.388 120.500 -0.023 0.000 2.081 660 R HA -0.055 4.282 4.340 -0.004 0.000 0.235 660 R C 2.268 178.544 176.300 -0.040 0.000 1.131 660 R CA 1.485 57.551 56.100 -0.058 0.000 0.960 660 R CB -0.386 29.848 30.300 -0.110 0.000 0.856 660 R HN 0.507 nan 8.270 nan 0.000 0.436 661 K N 0.384 120.773 120.400 -0.018 0.000 2.002 661 K HA -0.136 4.182 4.320 -0.004 0.000 0.209 661 K C 2.264 178.865 176.600 0.001 0.000 1.048 661 K CA 1.430 57.713 56.287 -0.007 0.000 0.930 661 K CB -0.287 32.217 32.500 0.006 0.000 0.714 661 K HN 0.273 nan 8.250 nan 0.000 0.438 662 R N 0.608 121.111 120.500 0.004 0.000 2.115 662 R HA -0.016 4.322 4.340 -0.004 0.000 0.230 662 R C 2.430 178.739 176.300 0.016 0.000 1.111 662 R CA 0.961 57.067 56.100 0.010 0.000 0.976 662 R CB -0.337 29.968 30.300 0.008 0.000 0.870 662 R HN 0.212 nan 8.270 nan 0.000 0.445 663 A N 1.522 124.349 122.820 0.011 0.000 1.873 663 A HA -0.178 4.139 4.320 -0.004 0.000 0.215 663 A C 2.165 179.776 177.584 0.046 0.000 1.186 663 A CA 1.273 53.325 52.037 0.025 0.000 0.616 663 A CB -0.349 18.653 19.000 0.004 0.000 0.823 663 A HN 0.084 nan 8.150 nan 0.000 0.442 664 R N -0.031 120.476 120.500 0.012 0.000 2.096 664 R HA -0.155 4.182 4.340 -0.004 0.000 0.240 664 R C 1.898 178.233 176.300 0.058 0.000 1.139 664 R CA 2.018 58.129 56.100 0.019 0.000 0.952 664 R CB -1.239 29.050 30.300 -0.019 0.000 0.854 664 R HN 0.452 nan 8.270 nan 0.000 0.436 665 L N 0.134 121.379 121.223 0.037 0.000 2.012 665 L HA -0.128 4.210 4.340 -0.004 0.000 0.210 665 L C 2.095 178.992 176.870 0.046 0.000 1.073 665 L CA 1.820 56.681 54.840 0.035 0.000 0.748 665 L CB -0.520 41.552 42.059 0.021 0.000 0.891 665 L HN 0.311 nan 8.230 nan 0.000 0.431 666 L N -1.932 119.322 121.223 0.051 0.000 1.994 666 L HA -0.269 4.069 4.340 -0.004 0.000 0.208 666 L C 2.540 179.445 176.870 0.058 0.000 1.071 666 L CA 1.845 56.712 54.840 0.044 0.000 0.745 666 L CB -0.950 41.134 42.059 0.042 0.000 0.892 666 L HN 0.307 nan 8.230 nan 0.000 0.431 667 Y N 1.434 121.724 120.300 -0.016 0.000 2.151 667 Y HA -0.312 4.236 4.550 -0.004 0.000 0.284 667 Y C 2.300 178.192 175.900 -0.014 0.000 1.166 667 Y CA 2.101 60.191 58.100 -0.016 0.000 1.163 667 Y CB -0.178 38.269 38.460 -0.021 0.000 0.974 667 Y HN 0.267 nan 8.280 nan 0.000 0.511 668 N N -0.269 118.531 118.700 0.168 0.000 2.457 668 N HA -0.103 4.635 4.740 -0.004 0.000 0.180 668 N C 0.686 176.206 175.510 0.017 0.000 1.050 668 N CA 0.805 53.915 53.050 0.100 0.000 0.906 668 N CB -0.213 38.332 38.487 0.096 0.000 0.968 668 N HN 0.344 nan 8.380 nan 0.000 0.445 669 N N -0.051 118.647 118.700 -0.003 0.000 2.314 669 N HA 0.100 4.838 4.740 -0.004 0.000 0.200 669 N C 0.727 176.202 175.510 -0.057 0.000 1.135 669 N CA 0.485 53.521 53.050 -0.022 0.000 0.835 669 N CB 0.641 39.122 38.487 -0.010 0.000 0.989 669 N HN 0.299 nan 8.380 nan 0.000 0.478 670 G N 0.931 109.665 108.800 -0.110 0.000 2.176 670 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.253 670 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.253 670 G C 0.152 174.949 174.900 -0.171 0.000 0.979 670 G CA -0.332 44.675 45.100 -0.154 0.000 0.641 670 G HN 0.345 nan 8.290 nan 0.000 0.530 671 I N 1.142 121.628 120.570 -0.140 0.000 2.256 671 I HA 0.265 4.433 4.170 -0.004 0.000 0.294 671 I C 1.285 177.323 176.117 -0.132 0.000 1.127 671 I CA -0.147 61.091 61.300 -0.103 0.000 1.247 671 I CB 0.864 38.838 38.000 -0.043 0.000 1.460 671 I HN 0.051 nan 8.210 nan 0.000 0.511 672 K N 3.655 123.946 120.400 -0.182 0.000 2.348 672 K HA 0.250 4.568 4.320 -0.004 0.000 0.194 672 K C 0.306 176.911 176.600 0.008 0.000 1.052 672 K CA 0.373 56.544 56.287 -0.195 0.000 1.004 672 K CB 0.726 32.995 32.500 -0.385 0.000 0.873 672 K HN 0.527 nan 8.250 nan 0.000 0.523 673 E N 0.139 120.331 120.200 -0.012 0.000 2.392 673 E HA 0.241 4.589 4.350 -0.004 0.000 0.269 673 E C 0.389 176.993 176.600 0.006 0.000 0.924 673 E CA -0.376 56.030 56.400 0.010 0.000 0.784 673 E CB 2.031 31.730 29.700 -0.002 0.000 1.292 673 E HN -0.121 nan 8.360 nan 0.000 0.447 674 L N 0.768 121.997 121.223 0.011 0.000 2.079 674 L HA -0.147 4.191 4.340 -0.004 0.000 0.210 674 L C 2.134 179.004 176.870 0.000 0.000 1.081 674 L CA 1.709 56.553 54.840 0.007 0.000 0.752 674 L CB -0.431 41.633 42.059 0.008 0.000 0.896 674 L HN 0.774 nan 8.230 nan 0.000 0.433 675 G N -0.753 108.046 108.800 -0.002 0.000 2.443 675 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.219 675 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.219 675 G C 1.145 176.038 174.900 -0.012 0.000 1.131 675 G CA 0.634 45.730 45.100 -0.006 0.000 0.775 675 G HN 0.311 nan 8.290 nan 0.000 0.547 676 D N 0.404 120.794 120.400 -0.017 0.000 2.144 676 D HA -0.085 4.553 4.640 -0.004 0.000 0.200 676 D C 2.760 179.049 176.300 -0.019 0.000 0.978 676 D CA 0.662 54.646 54.000 -0.026 0.000 0.833 676 D CB -0.253 40.521 40.800 -0.042 0.000 0.961 676 D HN 0.223 nan 8.370 nan 0.000 0.470 677 V N 1.013 120.920 119.914 -0.012 0.000 2.261 677 V HA -0.214 3.904 4.120 -0.004 0.000 0.246 677 V C 2.761 178.851 176.094 -0.007 0.000 1.047 677 V CA 1.107 63.402 62.300 -0.008 0.000 1.015 677 V CB -0.627 31.195 31.823 -0.002 0.000 0.642 677 V HN 0.040 nan 8.190 nan 0.000 0.446 678 V N -0.530 119.381 119.914 -0.006 0.000 2.324 678 V HA -0.293 3.824 4.120 -0.004 0.000 0.250 678 V C 2.280 178.370 176.094 -0.007 0.000 1.060 678 V CA 1.934 64.231 62.300 -0.005 0.000 1.042 678 V CB -0.603 31.218 31.823 -0.003 0.000 0.650 678 V HN 0.444 nan 8.190 nan 0.000 0.450 679 M N -0.613 118.981 119.600 -0.009 0.000 2.502 679 M HA 0.170 4.647 4.480 -0.004 0.000 0.243 679 M C 0.499 176.791 176.300 -0.012 0.000 1.130 679 M CA 0.639 55.933 55.300 -0.010 0.000 1.055 679 M CB -0.430 32.163 32.600 -0.012 0.000 1.457 679 M HN 0.337 nan 8.290 nan 0.000 0.488 680 N N 1.180 119.873 118.700 -0.013 0.000 2.735 680 N HA 0.208 4.945 4.740 -0.004 0.000 0.312 680 N C -2.060 173.443 175.510 -0.010 0.000 1.843 680 N CA -0.789 52.253 53.050 -0.013 0.000 0.945 680 N CB 1.161 39.638 38.487 -0.018 0.000 1.299 680 N HN 0.133 nan 8.380 nan 0.000 0.489 681 P HA -0.036 nan 4.420 nan 0.000 0.229 681 P C 0.880 178.176 177.300 -0.006 0.000 1.160 681 P CA 0.749 63.845 63.100 -0.006 0.000 0.777 681 P CB 0.754 32.451 31.700 -0.005 0.000 0.814 682 D N 0.519 120.915 120.400 -0.007 0.000 2.137 682 D HA -0.106 4.532 4.640 -0.004 0.000 0.202 682 D C 1.832 178.128 176.300 -0.006 0.000 0.970 682 D CA 0.968 54.964 54.000 -0.006 0.000 0.837 682 D CB -0.078 40.718 40.800 -0.007 0.000 0.981 682 D HN 0.067 nan 8.370 nan 0.000 0.475 683 K N 0.175 120.570 120.400 -0.008 0.000 2.432 683 K HA 0.007 4.325 4.320 -0.004 0.000 0.196 683 K C 1.808 178.404 176.600 -0.007 0.000 1.038 683 K CA 0.113 56.394 56.287 -0.009 0.000 0.986 683 K CB 0.467 32.960 32.500 -0.013 0.000 0.782 683 K HN -0.012 nan 8.250 nan 0.000 0.485 684 V N 1.071 120.981 119.914 -0.006 0.000 2.446 684 V HA -0.145 3.973 4.120 -0.004 0.000 0.244 684 V C 1.802 177.894 176.094 -0.003 0.000 1.039 684 V CA 1.481 63.779 62.300 -0.004 0.000 1.045 684 V CB -0.155 31.666 31.823 -0.004 0.000 0.681 684 V HN 0.242 nan 8.190 nan 0.000 0.459 685 K N 0.422 120.820 120.400 -0.003 0.000 2.283 685 K HA -0.113 4.204 4.320 -0.004 0.000 0.202 685 K C 2.009 178.608 176.600 -0.002 0.000 1.048 685 K CA 0.979 57.264 56.287 -0.003 0.000 0.948 685 K CB -0.228 32.270 32.500 -0.003 0.000 0.742 685 K HN 0.375 nan 8.250 nan 0.000 0.458 686 N N 0.906 119.604 118.700 -0.003 0.000 2.331 686 N HA -0.080 4.657 4.740 -0.004 0.000 0.180 686 N C 1.420 176.930 175.510 -0.001 0.000 1.019 686 N CA 0.890 53.938 53.050 -0.003 0.000 0.881 686 N CB 0.266 38.751 38.487 -0.004 0.000 0.972 686 N HN 0.176 nan 8.380 nan 0.000 0.435 687 L N -0.218 121.005 121.223 -0.001 0.000 2.388 687 L HA 0.175 4.513 4.340 -0.004 0.000 0.209 687 L C 1.849 178.721 176.870 0.002 0.000 1.061 687 L CA 0.250 55.091 54.840 0.001 0.000 0.834 687 L CB 0.099 42.159 42.059 0.002 0.000 1.029 687 L HN 0.034 nan 8.230 nan 0.000 0.473 688 L N -0.795 120.429 121.223 0.002 0.000 2.590 688 L HA 0.411 4.749 4.340 -0.004 0.000 0.227 688 L C 0.665 177.536 176.870 0.001 0.000 1.099 688 L CA 0.215 55.056 54.840 0.002 0.000 0.872 688 L CB 0.053 42.114 42.059 0.002 0.000 1.088 688 L HN 0.305 nan 8.230 nan 0.000 0.479 689 G N 0.143 108.943 108.800 -0.000 0.000 2.629 689 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.686 689 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.686 689 G C -0.122 174.777 174.900 -0.002 0.000 1.232 689 G CA -0.430 44.669 45.100 -0.001 0.000 0.803 689 G HN 0.061 nan 8.290 nan 0.000 0.638 690 Q N 0.050 119.849 119.800 -0.002 0.000 2.002 690 Q HA -0.129 4.209 4.340 -0.004 0.000 0.204 690 Q C 2.722 178.720 176.000 -0.003 0.000 0.988 690 Q CA 2.038 57.840 55.803 -0.003 0.000 0.843 690 Q CB -0.095 28.641 28.738 -0.003 0.000 0.908 690 Q HN 0.684 nan 8.270 nan 0.000 0.420 691 K N 0.227 120.625 120.400 -0.003 0.000 2.025 691 K HA -0.154 4.164 4.320 -0.004 0.000 0.207 691 K C 2.126 178.724 176.600 -0.004 0.000 1.049 691 K CA 1.038 57.322 56.287 -0.004 0.000 0.933 691 K CB -0.275 32.223 32.500 -0.004 0.000 0.714 691 K HN 0.097 nan 8.250 nan 0.000 0.438 692 L N 0.991 122.212 121.223 -0.003 0.000 2.093 692 L HA 0.002 4.340 4.340 -0.004 0.000 0.208 692 L C 2.067 178.935 176.870 -0.003 0.000 1.085 692 L CA 1.851 56.689 54.840 -0.003 0.000 0.755 692 L CB -0.876 41.182 42.059 -0.002 0.000 0.904 692 L HN 0.164 nan 8.230 nan 0.000 0.435 693 G N -0.915 107.884 108.800 -0.002 0.000 2.418 693 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.217 693 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.217 693 G C 1.469 176.367 174.900 -0.003 0.000 1.158 693 G CA 0.782 45.881 45.100 -0.002 0.000 0.771 693 G HN 0.556 nan 8.290 nan 0.000 0.545 694 E N 0.170 120.368 120.200 -0.003 0.000 2.038 694 E HA -0.200 4.147 4.350 -0.004 0.000 0.195 694 E C 2.368 178.966 176.600 -0.003 0.000 1.000 694 E CA 1.322 57.720 56.400 -0.003 0.000 0.803 694 E CB -0.174 29.524 29.700 -0.004 0.000 0.750 694 E HN 0.401 nan 8.360 nan 0.000 0.448 695 K N 0.280 120.677 120.400 -0.004 0.000 2.097 695 K HA -0.113 4.205 4.320 -0.004 0.000 0.206 695 K C 2.066 178.664 176.600 -0.004 0.000 1.049 695 K CA 1.117 57.401 56.287 -0.005 0.000 0.933 695 K CB 0.034 32.530 32.500 -0.006 0.000 0.717 695 K HN 0.084 nan 8.250 nan 0.000 0.442 696 V N 0.952 120.865 119.914 -0.003 0.000 2.490 696 V HA -0.208 3.910 4.120 -0.004 0.000 0.250 696 V C 2.283 178.376 176.094 -0.001 0.000 1.061 696 V CA 1.348 63.647 62.300 -0.001 0.000 1.064 696 V CB -0.048 31.775 31.823 -0.000 0.000 0.670 696 V HN 0.132 nan 8.190 nan 0.000 0.461 697 V N -1.018 118.895 119.914 -0.002 0.000 2.488 697 V HA -0.239 3.879 4.120 -0.004 0.000 0.246 697 V C 2.357 178.450 176.094 -0.001 0.000 1.046 697 V CA 1.511 63.810 62.300 -0.002 0.000 1.053 697 V CB -0.587 31.235 31.823 -0.003 0.000 0.679 697 V HN 0.466 nan 8.190 nan 0.000 0.458 698 Q N 0.167 119.966 119.800 -0.002 0.000 1.985 698 Q HA -0.225 4.113 4.340 -0.004 0.000 0.207 698 Q C 2.411 178.410 176.000 -0.001 0.000 0.996 698 Q CA 2.114 57.916 55.803 -0.002 0.000 0.851 698 Q CB -0.304 28.432 28.738 -0.003 0.000 0.921 698 Q HN 0.539 nan 8.270 nan 0.000 0.418 699 E N -0.198 120.001 120.200 -0.001 0.000 2.085 699 E HA -0.210 4.138 4.350 -0.004 0.000 0.194 699 E C 1.918 178.520 176.600 0.002 0.000 0.994 699 E CA 1.187 57.586 56.400 -0.000 0.000 0.801 699 E CB -0.420 29.279 29.700 -0.002 0.000 0.743 699 E HN 0.416 nan 8.360 nan 0.000 0.453 700 A N 1.564 124.386 122.820 0.002 0.000 1.908 700 A HA -0.158 4.160 4.320 -0.004 0.000 0.218 700 A C 2.444 180.030 177.584 0.003 0.000 1.181 700 A CA 2.357 54.396 52.037 0.003 0.000 0.627 700 A CB -0.622 18.379 19.000 0.002 0.000 0.818 700 A HN 0.290 nan 8.150 nan 0.000 0.445 701 A N 0.666 123.487 122.820 0.002 0.000 1.873 701 A HA -0.128 4.190 4.320 -0.004 0.000 0.215 701 A C 2.168 179.755 177.584 0.004 0.000 1.186 701 A CA 2.032 54.071 52.037 0.003 0.000 0.616 701 A CB -0.474 18.526 19.000 0.002 0.000 0.823 701 A HN 0.693 nan 8.150 nan 0.000 0.442 702 R N 0.028 120.530 120.500 0.004 0.000 2.115 702 R HA 0.101 4.439 4.340 -0.004 0.000 0.230 702 R C 1.697 178.001 176.300 0.008 0.000 1.111 702 R CA 1.583 57.687 56.100 0.006 0.000 0.976 702 R CB -0.916 29.386 30.300 0.004 0.000 0.870 702 R HN 0.418 nan 8.270 nan 0.000 0.445 703 L N 0.411 121.638 121.223 0.008 0.000 1.994 703 L HA -0.097 4.240 4.340 -0.004 0.000 0.208 703 L C 2.430 179.306 176.870 0.011 0.000 1.071 703 L CA 1.400 56.246 54.840 0.010 0.000 0.745 703 L CB -0.440 41.625 42.059 0.009 0.000 0.892 703 L HN 0.194 nan 8.230 nan 0.000 0.431 704 L N -0.625 120.603 121.223 0.009 0.000 2.083 704 L HA -0.186 4.152 4.340 -0.004 0.000 0.209 704 L C 1.092 177.968 176.870 0.009 0.000 1.083 704 L CA 0.775 55.620 54.840 0.009 0.000 0.752 704 L CB -0.616 41.446 42.059 0.006 0.000 0.899 704 L HN 0.321 nan 8.230 nan 0.000 0.433 705 N N 0.000 118.705 118.700 0.009 0.000 1.763 705 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 705 N CA 0.000 53.056 53.050 0.010 0.000 0.885 705 N CB 0.000 38.492 38.487 0.008 0.000 1.341 705 N HN 0.000 nan 8.380 nan 0.000 0.667