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 1js3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNASDFRRRG KEMVDYMADY LEGIEGRQVY PDVQPGYLRP LIPATAPQEP DATA SEQUENCE DTFEDILQDV EKIIMPGVTH WHSPYFFAYF PTASSYPAML ADMLCGAIGC DATA SEQUENCE IGFSWAASPA CTELETVMMD WLGKMLQLPE AFLAGEAGEG GGVIQGSASE DATA SEQUENCE ATLVALLAAR TKVVRRLQAA SPGLTQGAVL EKLVAYASDQ AHSSVERAGL DATA SEQUENCE IGGVKLKAIP SDGKFAMRAS ALQEALERDK AAGLIPFFVV ATLGTTSCCS DATA SEQUENCE FDNLLEVGPI CHEEDIWLHV DAAYAGSAFI CPEFRHLLNG VEFADSFNFN DATA SEQUENCE PHKWLLVNFD CSAMWVKRRT DLTGAFKXXX XXXXXXXXXS GLITDYRHWQ DATA SEQUENCE LPLGRRFRSL KMWFVFRMYG VKGLQAYIRK HVQLSHEFEA FVLQDPRFEV DATA SEQUENCE CAEVTLGLVC FRLKGSDGLN EALLERINSA RKIHLVPCRL RGQFVLRFAI DATA SEQUENCE CSRKVESGHV RLAWEHIRGL AAELLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.306 55.300 0.009 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 N N 1.596 120.304 118.700 0.013 0.000 2.741 2 N HA 0.797 5.536 4.740 -0.001 0.000 0.310 2 N C 0.590 176.129 175.510 0.048 0.000 1.295 2 N CA -0.229 52.829 53.050 0.013 0.000 0.893 2 N CB 0.854 39.346 38.487 0.008 0.000 1.247 2 N HN 0.830 nan 8.380 nan 0.000 0.596 3 A N -0.081 122.765 122.820 0.043 0.000 1.908 3 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 3 A C 2.102 179.752 177.584 0.109 0.000 1.181 3 A CA 2.554 54.647 52.037 0.093 0.000 0.627 3 A CB -1.596 17.436 19.000 0.054 0.000 0.818 3 A HN 0.834 nan 8.150 nan 0.000 0.445 4 S N -0.265 115.466 115.700 0.051 0.000 2.383 4 S HA -0.171 4.299 4.470 -0.001 0.000 0.227 4 S C 1.505 176.107 174.600 0.005 0.000 1.026 4 S CA 1.354 59.567 58.200 0.022 0.000 0.981 4 S CB -0.495 62.709 63.200 0.006 0.000 0.818 4 S HN 0.537 nan 8.310 nan 0.000 0.472 5 D N 0.572 120.980 120.400 0.014 0.000 2.144 5 D HA -0.033 4.606 4.640 -0.001 0.000 0.200 5 D C 1.561 177.840 176.300 -0.035 0.000 0.978 5 D CA 0.970 54.957 54.000 -0.021 0.000 0.833 5 D CB -0.362 40.432 40.800 -0.010 0.000 0.961 5 D HN 0.499 nan 8.370 nan 0.000 0.470 6 F N 2.211 122.097 119.950 -0.106 0.000 2.186 6 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 6 F C 2.308 178.044 175.800 -0.107 0.000 1.090 6 F CA 1.133 59.063 58.000 -0.118 0.000 1.307 6 F CB -0.057 38.896 39.000 -0.079 0.000 1.019 6 F HN -0.236 nan 8.300 nan 0.000 0.489 7 R N -0.132 120.265 120.500 -0.171 0.000 2.105 7 R HA -0.191 4.148 4.340 -0.001 0.000 0.239 7 R C 2.510 178.639 176.300 -0.285 0.000 1.135 7 R CA 1.730 57.681 56.100 -0.247 0.000 0.967 7 R CB -0.439 29.810 30.300 -0.085 0.000 0.861 7 R HN 0.316 nan 8.270 nan 0.000 0.442 8 R N 0.453 120.818 120.500 -0.225 0.000 2.055 8 R HA -0.044 4.296 4.340 -0.001 0.000 0.226 8 R C 2.054 178.178 176.300 -0.292 0.000 1.135 8 R CA 0.930 56.907 56.100 -0.204 0.000 0.959 8 R CB 0.090 30.305 30.300 -0.142 0.000 0.854 8 R HN 0.017 nan 8.270 nan 0.000 0.431 9 R N 0.092 120.343 120.500 -0.414 0.000 2.092 9 R HA -0.011 4.329 4.340 -0.001 0.000 0.231 9 R C 2.270 178.256 176.300 -0.523 0.000 1.119 9 R CA 1.344 57.051 56.100 -0.654 0.000 0.970 9 R CB -1.266 28.444 30.300 -0.984 0.000 0.864 9 R HN 0.458 nan 8.270 nan 0.000 0.440 10 G N 1.678 110.085 108.800 -0.656 0.000 2.440 10 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 10 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 10 G C 1.397 176.090 174.900 -0.346 0.000 1.154 10 G CA 0.581 45.268 45.100 -0.688 0.000 0.767 10 G HN 0.316 nan 8.290 nan 0.000 0.552 11 K N 0.260 120.475 120.400 -0.308 0.000 2.155 11 K HA 0.004 4.324 4.320 -0.001 0.000 0.203 11 K C 2.379 178.940 176.600 -0.066 0.000 1.052 11 K CA 1.003 57.196 56.287 -0.157 0.000 0.948 11 K CB -0.063 32.353 32.500 -0.141 0.000 0.728 11 K HN 0.385 nan 8.250 nan 0.000 0.448 12 E N 0.581 120.745 120.200 -0.061 0.000 2.072 12 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 12 E C 1.947 178.646 176.600 0.166 0.000 0.985 12 E CA 1.069 57.510 56.400 0.068 0.000 0.801 12 E CB -0.043 29.728 29.700 0.119 0.000 0.750 12 E HN 0.127 nan 8.360 nan 0.000 0.452 13 M N 0.705 120.398 119.600 0.155 0.000 2.159 13 M HA -0.128 4.352 4.480 -0.001 0.000 0.263 13 M C 2.043 178.460 176.300 0.195 0.000 1.063 13 M CA 1.241 56.684 55.300 0.238 0.000 1.110 13 M CB -0.175 32.547 32.600 0.204 0.000 1.374 13 M HN -0.068 nan 8.290 nan 0.000 0.411 14 V N 0.602 120.571 119.914 0.093 0.000 2.332 14 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 14 V C 2.054 178.198 176.094 0.083 0.000 1.055 14 V CA 2.220 64.563 62.300 0.072 0.000 1.038 14 V CB -0.947 30.880 31.823 0.006 0.000 0.651 14 V HN 0.438 nan 8.190 nan 0.000 0.450 15 D N -1.390 119.062 120.400 0.085 0.000 2.144 15 D HA -0.184 4.455 4.640 -0.001 0.000 0.200 15 D C 1.934 178.301 176.300 0.112 0.000 0.978 15 D CA 1.371 55.416 54.000 0.076 0.000 0.833 15 D CB -0.166 40.676 40.800 0.071 0.000 0.961 15 D HN 0.578 nan 8.370 nan 0.000 0.470 16 Y N 1.058 121.408 120.300 0.083 0.000 2.181 16 Y HA -0.178 4.371 4.550 -0.001 0.000 0.288 16 Y C 2.386 178.369 175.900 0.139 0.000 1.146 16 Y CA 1.448 59.607 58.100 0.099 0.000 1.164 16 Y CB -0.178 38.335 38.460 0.089 0.000 0.982 16 Y HN -0.129 nan 8.280 nan 0.000 0.515 17 M N -0.555 119.158 119.600 0.190 0.000 2.086 17 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 17 M C 2.499 178.900 176.300 0.168 0.000 1.067 17 M CA 1.781 57.196 55.300 0.193 0.000 1.116 17 M CB -0.525 32.208 32.600 0.223 0.000 1.348 17 M HN 0.365 nan 8.290 nan 0.000 0.407 18 A N 0.339 123.223 122.820 0.106 0.000 1.902 18 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 18 A C 1.756 179.359 177.584 0.031 0.000 1.181 18 A CA 1.985 54.062 52.037 0.065 0.000 0.623 18 A CB -0.760 18.221 19.000 -0.032 0.000 0.818 18 A HN 0.386 nan 8.150 nan 0.000 0.443 19 D N -1.552 118.837 120.400 -0.020 0.000 2.123 19 D HA -0.172 4.468 4.640 -0.001 0.000 0.196 19 D C 1.686 177.939 176.300 -0.078 0.000 0.992 19 D CA 1.707 55.671 54.000 -0.061 0.000 0.833 19 D CB -0.508 40.232 40.800 -0.100 0.000 0.954 19 D HN 0.604 nan 8.370 nan 0.000 0.455 20 Y N 1.317 121.475 120.300 -0.236 0.000 2.089 20 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 20 Y C 2.040 177.909 175.900 -0.052 0.000 1.139 20 Y CA 1.234 59.220 58.100 -0.190 0.000 1.123 20 Y CB -0.497 37.831 38.460 -0.219 0.000 0.980 20 Y HN -0.133 nan 8.280 nan 0.000 0.493 21 L N 0.962 122.084 121.223 -0.169 0.000 2.046 21 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 21 L C 2.506 179.304 176.870 -0.120 0.000 1.077 21 L CA 2.092 56.820 54.840 -0.186 0.000 0.747 21 L CB -1.583 40.522 42.059 0.076 0.000 0.896 21 L HN 0.436 nan 8.230 nan 0.000 0.432 22 E N -0.771 119.407 120.200 -0.037 0.000 2.106 22 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 22 E C 1.764 178.331 176.600 -0.054 0.000 0.984 22 E CA 1.060 57.451 56.400 -0.015 0.000 0.806 22 E CB -0.133 29.570 29.700 0.006 0.000 0.750 22 E HN 0.445 nan 8.360 nan 0.000 0.458 23 G N 0.276 109.016 108.800 -0.100 0.000 3.434 23 G HA2 0.026 3.986 3.960 -0.001 0.000 0.258 23 G HA3 0.026 3.986 3.960 -0.001 0.000 0.258 23 G C 1.122 175.929 174.900 -0.155 0.000 1.128 23 G CA -0.402 44.643 45.100 -0.092 0.000 0.792 23 G HN 0.263 nan 8.290 nan 0.000 0.539 24 I N -0.247 120.171 120.570 -0.253 0.000 2.423 24 I HA -0.142 4.028 4.170 -0.001 0.000 0.254 24 I C 2.367 178.367 176.117 -0.194 0.000 1.151 24 I CA 1.145 62.235 61.300 -0.349 0.000 1.421 24 I CB 0.206 37.949 38.000 -0.428 0.000 1.079 24 I HN 0.292 nan 8.210 nan 0.000 0.431 25 E N 0.204 120.349 120.200 -0.092 0.000 2.265 25 E HA -0.165 4.185 4.350 -0.001 0.000 0.196 25 E C 1.897 178.529 176.600 0.054 0.000 0.996 25 E CA 0.913 57.326 56.400 0.022 0.000 0.832 25 E CB -0.127 29.622 29.700 0.081 0.000 0.756 25 E HN 0.628 nan 8.360 nan 0.000 0.491 26 G N 0.321 109.112 108.800 -0.015 0.000 2.985 26 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.209 26 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.209 26 G C 0.496 175.367 174.900 -0.050 0.000 1.165 26 G CA -0.315 44.777 45.100 -0.013 0.000 0.776 26 G HN -0.048 nan 8.290 nan 0.000 0.541 27 R N 0.417 120.848 120.500 -0.114 0.000 2.457 27 R HA 0.271 4.611 4.340 -0.001 0.000 0.284 27 R C -0.237 176.019 176.300 -0.075 0.000 1.024 27 R CA -0.555 55.439 56.100 -0.177 0.000 1.025 27 R CB 1.132 31.107 30.300 -0.541 0.000 1.063 27 R HN 0.262 nan 8.270 nan 0.000 0.493 28 Q N 1.554 121.348 119.800 -0.009 0.000 2.296 28 Q HA 0.070 4.410 4.340 -0.001 0.000 0.262 28 Q C 0.720 176.810 176.000 0.151 0.000 0.981 28 Q CA -0.277 55.555 55.803 0.049 0.000 0.905 28 Q CB 1.212 29.976 28.738 0.044 0.000 1.186 28 Q HN 0.455 nan 8.270 nan 0.000 0.399 29 V N 4.523 124.532 119.914 0.158 0.000 2.233 29 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 29 V C 0.634 176.848 176.094 0.200 0.000 1.050 29 V CA 1.567 64.013 62.300 0.242 0.000 1.010 29 V CB -0.587 31.369 31.823 0.221 0.000 0.637 29 V HN 0.744 nan 8.190 nan 0.000 0.444 30 Y N 3.004 123.268 120.300 -0.061 0.000 2.323 30 Y HA 0.472 5.021 4.550 -0.001 0.000 0.331 30 Y C -2.247 173.594 175.900 -0.098 0.000 1.092 30 Y CA -3.286 54.694 58.100 -0.199 0.000 1.150 30 Y CB 1.376 39.583 38.460 -0.423 0.000 1.200 30 Y HN 0.071 nan 8.280 nan 0.000 0.472 31 P HA 0.096 nan 4.420 nan 0.000 0.276 31 P C -0.804 176.348 177.300 -0.247 0.000 1.244 31 P CA -0.022 62.865 63.100 -0.355 0.000 0.801 31 P CB 1.420 32.863 31.700 -0.428 0.000 1.006 32 D N -0.190 120.122 120.400 -0.146 0.000 2.369 32 D HA 0.068 4.707 4.640 -0.001 0.000 0.211 32 D C 0.599 176.831 176.300 -0.112 0.000 1.077 32 D CA 0.009 53.966 54.000 -0.072 0.000 0.842 32 D CB 0.334 41.113 40.800 -0.036 0.000 0.947 32 D HN 0.047 nan 8.370 nan 0.000 0.509 33 V N 1.223 121.000 119.914 -0.228 0.000 2.999 33 V HA -0.058 4.062 4.120 -0.001 0.000 0.307 33 V C 0.404 176.413 176.094 -0.142 0.000 1.084 33 V CA 0.356 62.480 62.300 -0.293 0.000 1.155 33 V CB 1.513 32.901 31.823 -0.725 0.000 0.975 33 V HN 0.008 nan 8.190 nan 0.000 0.490 34 Q N 4.867 124.644 119.800 -0.038 0.000 2.226 34 Q HA 0.462 4.802 4.340 -0.001 0.000 0.256 34 Q C -2.475 173.587 176.000 0.103 0.000 0.962 34 Q CA -1.925 53.899 55.803 0.036 0.000 0.887 34 Q CB 1.502 30.269 28.738 0.049 0.000 1.282 34 Q HN 0.453 nan 8.270 nan 0.000 0.449 35 P HA 0.133 nan 4.420 nan 0.000 0.264 35 P C -0.017 177.344 177.300 0.101 0.000 1.193 35 P CA 1.125 64.285 63.100 0.101 0.000 0.763 35 P CB 0.555 32.295 31.700 0.067 0.000 0.810 36 G N 2.590 111.449 108.800 0.099 0.000 2.175 36 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.244 36 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.244 36 G C 0.733 175.643 174.900 0.016 0.000 0.982 36 G CA 0.303 45.421 45.100 0.030 0.000 0.641 36 G HN 0.629 nan 8.290 nan 0.000 0.527 37 Y N -0.087 120.205 120.300 -0.014 0.000 2.333 37 Y HA 0.270 4.820 4.550 -0.001 0.000 0.290 37 Y C 2.301 178.191 175.900 -0.016 0.000 1.144 37 Y CA 1.563 59.654 58.100 -0.014 0.000 1.228 37 Y CB -0.349 38.101 38.460 -0.018 0.000 0.985 37 Y HN 0.333 nan 8.280 nan 0.000 0.542 38 L N 1.273 121.814 121.223 -1.137 0.000 2.068 38 L HA 0.016 4.355 4.340 -0.001 0.000 0.204 38 L C 2.780 179.410 176.870 -0.402 0.000 1.076 38 L CA 1.585 55.834 54.840 -0.986 0.000 0.753 38 L CB -0.977 40.524 42.059 -0.931 0.000 0.910 38 L HN 0.301 nan 8.230 nan 0.000 0.439 39 R N 0.171 120.513 120.500 -0.264 0.000 2.113 39 R HA -0.161 4.179 4.340 -0.001 0.000 0.244 39 R C -0.609 175.624 176.300 -0.112 0.000 1.142 39 R CA 2.208 58.217 56.100 -0.151 0.000 0.953 39 R CB -1.461 28.777 30.300 -0.103 0.000 0.860 39 R HN 0.386 nan 8.270 nan 0.000 0.438 40 P HA -0.106 nan 4.420 nan 0.000 0.230 40 P C 0.895 178.164 177.300 -0.053 0.000 1.158 40 P CA 1.117 64.183 63.100 -0.057 0.000 0.769 40 P CB 0.006 31.686 31.700 -0.033 0.000 0.807 41 L N -0.538 120.638 121.223 -0.079 0.000 2.558 41 L HA 0.219 4.558 4.340 -0.001 0.000 0.225 41 L C 1.495 178.331 176.870 -0.056 0.000 1.128 41 L CA 0.098 54.905 54.840 -0.054 0.000 0.868 41 L CB -0.300 41.730 42.059 -0.048 0.000 1.006 41 L HN -0.015 nan 8.230 nan 0.000 0.454 42 I N -4.440 116.088 120.570 -0.071 0.000 3.042 42 I HA 0.600 4.770 4.170 -0.001 0.000 0.310 42 I C -2.548 173.538 176.117 -0.051 0.000 1.117 42 I CA -2.537 58.727 61.300 -0.060 0.000 1.003 42 I CB 1.119 39.076 38.000 -0.072 0.000 1.228 42 I HN -0.273 nan 8.210 nan 0.000 0.443 43 P HA 0.113 nan 4.420 nan 0.000 0.267 43 P C 0.175 177.453 177.300 -0.036 0.000 1.201 43 P CA -0.110 62.970 63.100 -0.034 0.000 0.775 43 P CB 0.753 32.435 31.700 -0.029 0.000 0.854 44 A N 0.675 123.477 122.820 -0.031 0.000 2.218 44 A HA 0.157 4.477 4.320 -0.001 0.000 0.209 44 A C 0.963 178.531 177.584 -0.027 0.000 1.168 44 A CA 1.084 53.103 52.037 -0.030 0.000 0.804 44 A CB -0.280 18.705 19.000 -0.026 0.000 0.834 44 A HN 0.564 nan 8.150 nan 0.000 0.482 45 T N -1.465 113.074 114.554 -0.025 0.000 2.896 45 T HA 0.584 4.934 4.350 -0.001 0.000 0.297 45 T C -0.390 174.297 174.700 -0.022 0.000 1.108 45 T CA 0.038 62.125 62.100 -0.022 0.000 1.004 45 T CB 1.351 70.208 68.868 -0.018 0.000 1.159 45 T HN 0.627 nan 8.240 nan 0.000 0.499 46 A N 4.033 126.841 122.820 -0.020 0.000 2.386 46 A HA 0.642 4.962 4.320 -0.001 0.000 0.248 46 A C -2.043 175.531 177.584 -0.016 0.000 1.082 46 A CA -0.991 51.035 52.037 -0.019 0.000 0.789 46 A CB -0.398 18.591 19.000 -0.017 0.000 1.025 46 A HN 0.726 nan 8.150 nan 0.000 0.490 47 P HA 0.130 nan 4.420 nan 0.000 0.275 47 P C -0.028 177.267 177.300 -0.009 0.000 1.227 47 P CA -0.215 62.878 63.100 -0.011 0.000 0.781 47 P CB 0.947 32.641 31.700 -0.010 0.000 0.906 48 Q N 0.722 120.518 119.800 -0.008 0.000 2.123 48 Q HA -0.005 4.334 4.340 -0.001 0.000 0.199 48 Q C 0.504 176.501 176.000 -0.004 0.000 0.966 48 Q CA 1.440 57.239 55.803 -0.006 0.000 0.845 48 Q CB 0.334 29.068 28.738 -0.006 0.000 0.907 48 Q HN 0.611 nan 8.270 nan 0.000 0.439 49 E N 0.687 120.885 120.200 -0.003 0.000 2.244 49 E HA 0.399 4.749 4.350 -0.001 0.000 0.266 49 E C -2.384 174.217 176.600 0.002 0.000 0.914 49 E CA -2.166 54.234 56.400 -0.000 0.000 0.794 49 E CB 0.994 30.694 29.700 0.000 0.000 1.210 49 E HN -0.054 nan 8.360 nan 0.000 0.414 50 P HA 0.011 nan 4.420 nan 0.000 0.265 50 P C -0.702 176.605 177.300 0.012 0.000 1.187 50 P CA 0.378 63.485 63.100 0.011 0.000 0.766 50 P CB 0.511 32.221 31.700 0.016 0.000 0.820 51 D N -0.177 120.231 120.400 0.014 0.000 2.387 51 D HA 0.296 4.935 4.640 -0.001 0.000 0.255 51 D C 0.241 176.559 176.300 0.028 0.000 1.081 51 D CA -0.121 53.885 54.000 0.010 0.000 0.994 51 D CB 0.724 41.522 40.800 -0.004 0.000 1.127 51 D HN 0.340 nan 8.370 nan 0.000 0.513 52 T N -1.967 112.604 114.554 0.028 0.000 2.918 52 T HA 0.181 4.531 4.350 -0.001 0.000 0.283 52 T C 1.127 175.879 174.700 0.086 0.000 1.001 52 T CA -0.654 61.484 62.100 0.064 0.000 1.041 52 T CB 0.580 69.480 68.868 0.053 0.000 1.028 52 T HN 0.258 nan 8.240 nan 0.000 0.511 53 F N 1.294 121.232 119.950 -0.020 0.000 2.171 53 F HA 0.023 4.550 4.527 -0.001 0.000 0.300 53 F C 2.137 177.910 175.800 -0.045 0.000 1.090 53 F CA 1.521 59.503 58.000 -0.031 0.000 1.293 53 F CB -0.457 38.529 39.000 -0.023 0.000 1.013 53 F HN 0.693 nan 8.300 nan 0.000 0.486 54 E N 0.259 120.463 120.200 0.006 0.000 2.085 54 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 54 E C 1.898 178.406 176.600 -0.153 0.000 0.994 54 E CA 1.611 57.958 56.400 -0.089 0.000 0.801 54 E CB -0.516 29.192 29.700 0.013 0.000 0.743 54 E HN 0.448 nan 8.360 nan 0.000 0.453 55 D N -0.135 120.206 120.400 -0.098 0.000 2.117 55 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 55 D C 1.749 177.962 176.300 -0.146 0.000 0.987 55 D CA 0.864 54.808 54.000 -0.093 0.000 0.829 55 D CB -0.061 40.709 40.800 -0.050 0.000 0.961 55 D HN 0.151 nan 8.370 nan 0.000 0.460 56 I N -0.230 120.221 120.570 -0.198 0.000 2.179 56 I HA -0.229 3.940 4.170 -0.001 0.000 0.242 56 I C 2.200 178.117 176.117 -0.333 0.000 1.088 56 I CA 0.431 61.591 61.300 -0.234 0.000 1.357 56 I CB -0.152 37.708 38.000 -0.233 0.000 1.051 56 I HN 0.096 nan 8.210 nan 0.000 0.409 57 L N 0.379 121.294 121.223 -0.514 0.000 2.131 57 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 57 L C 2.485 179.161 176.870 -0.324 0.000 1.092 57 L CA 1.799 56.300 54.840 -0.565 0.000 0.759 57 L CB -0.660 40.966 42.059 -0.722 0.000 0.903 57 L HN 0.249 nan 8.230 nan 0.000 0.435 58 Q N -1.071 118.602 119.800 -0.211 0.000 2.079 58 Q HA -0.189 4.151 4.340 -0.001 0.000 0.200 58 Q C 1.700 177.651 176.000 -0.081 0.000 0.974 58 Q CA 1.544 57.284 55.803 -0.105 0.000 0.840 58 Q CB -0.023 28.672 28.738 -0.072 0.000 0.898 58 Q HN 0.461 nan 8.270 nan 0.000 0.430 59 D N -0.249 120.090 120.400 -0.102 0.000 2.144 59 D HA -0.115 4.525 4.640 -0.001 0.000 0.200 59 D C 1.894 178.157 176.300 -0.063 0.000 0.978 59 D CA 0.711 54.669 54.000 -0.070 0.000 0.833 59 D CB -0.075 40.679 40.800 -0.077 0.000 0.961 59 D HN 0.034 nan 8.370 nan 0.000 0.470 60 V N 0.828 120.672 119.914 -0.117 0.000 2.287 60 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 60 V C 2.456 178.548 176.094 -0.004 0.000 1.053 60 V CA 1.804 64.048 62.300 -0.094 0.000 1.027 60 V CB -0.357 31.339 31.823 -0.212 0.000 0.646 60 V HN 0.098 nan 8.190 nan 0.000 0.447 61 E N 0.338 120.546 120.200 0.013 0.000 2.072 61 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 61 E C 2.138 178.782 176.600 0.074 0.000 0.985 61 E CA 1.560 58.019 56.400 0.099 0.000 0.801 61 E CB -0.122 29.652 29.700 0.123 0.000 0.750 61 E HN 0.551 nan 8.360 nan 0.000 0.452 62 K N -0.951 119.474 120.400 0.042 0.000 2.284 62 K HA 0.205 4.525 4.320 -0.001 0.000 0.198 62 K C 1.769 178.407 176.600 0.063 0.000 1.048 62 K CA 0.689 57.004 56.287 0.046 0.000 0.987 62 K CB 0.440 32.957 32.500 0.028 0.000 0.800 62 K HN 0.168 nan 8.250 nan 0.000 0.486 63 I N -0.153 120.455 120.570 0.064 0.000 3.565 63 I HA -0.045 4.125 4.170 -0.001 0.000 0.287 63 I C 1.533 177.749 176.117 0.165 0.000 1.193 63 I CA 0.122 61.489 61.300 0.111 0.000 1.402 63 I CB 0.266 38.293 38.000 0.045 0.000 1.284 63 I HN -0.027 nan 8.210 nan 0.000 0.454 64 I N 0.699 121.323 120.570 0.090 0.000 2.235 64 I HA -0.138 4.031 4.170 -0.001 0.000 0.241 64 I C 2.580 178.747 176.117 0.083 0.000 1.085 64 I CA 1.392 62.745 61.300 0.089 0.000 1.378 64 I CB -0.880 37.131 38.000 0.017 0.000 1.076 64 I HN 0.188 nan 8.210 nan 0.000 0.415 65 M N 0.475 120.120 119.600 0.075 0.000 2.108 65 M HA -0.166 4.314 4.480 -0.001 0.000 0.257 65 M C -0.221 176.124 176.300 0.075 0.000 1.071 65 M CA 2.079 57.442 55.300 0.105 0.000 1.093 65 M CB -2.488 30.210 32.600 0.164 0.000 1.345 65 M HN 0.072 nan 8.290 nan 0.000 0.403 66 P HA -0.048 nan 4.420 nan 0.000 0.225 66 P C 0.955 178.111 177.300 -0.241 0.000 1.148 66 P CA 1.297 64.350 63.100 -0.078 0.000 0.779 66 P CB -0.181 31.461 31.700 -0.095 0.000 0.780 67 G N -1.209 107.474 108.800 -0.194 0.000 3.605 67 G HA2 0.243 4.202 3.960 -0.001 0.000 0.277 67 G HA3 0.243 4.202 3.960 -0.001 0.000 0.277 67 G C -0.182 174.639 174.900 -0.133 0.000 1.093 67 G CA 0.059 45.016 45.100 -0.239 0.000 0.821 67 G HN 0.086 nan 8.290 nan 0.000 0.532 68 V N 0.847 120.658 119.914 -0.172 0.000 2.483 68 V HA 0.427 4.547 4.120 -0.001 0.000 0.295 68 V C 0.014 175.850 176.094 -0.431 0.000 1.035 68 V CA -0.418 61.726 62.300 -0.259 0.000 0.896 68 V CB 1.828 33.476 31.823 -0.292 0.000 0.986 68 V HN 0.112 nan 8.190 nan 0.000 0.447 69 T N 4.281 118.663 114.554 -0.287 0.000 2.744 69 T HA 0.325 4.674 4.350 -0.001 0.000 0.291 69 T C -0.045 174.520 174.700 -0.225 0.000 0.957 69 T CA -0.290 61.682 62.100 -0.212 0.000 1.002 69 T CB -0.090 68.764 68.868 -0.024 0.000 0.919 69 T HN 0.581 nan 8.240 nan 0.000 0.468 70 H N 3.394 122.493 119.070 0.049 0.000 3.118 70 H HA 0.026 4.581 4.556 -0.001 0.000 0.266 70 H C 0.193 175.344 175.328 -0.295 0.000 1.465 70 H CA -0.331 55.730 56.048 0.022 0.000 1.460 70 H CB 0.152 29.958 29.762 0.073 0.000 1.661 70 H HN 0.790 nan 8.280 nan 0.000 0.516 71 W N 0.708 121.561 121.300 -0.746 0.000 2.364 71 W HA -0.128 4.531 4.660 -0.001 0.000 0.281 71 W C 1.549 177.343 176.519 -1.208 0.000 1.219 71 W CA 0.827 57.224 57.345 -1.580 0.000 1.220 71 W CB 0.047 28.733 29.460 -1.290 0.000 1.127 71 W HN 0.638 nan 8.180 nan 0.000 0.556 72 H N -1.645 117.402 119.070 -0.038 0.000 2.520 72 H HA 0.210 4.766 4.556 -0.001 0.000 0.284 72 H C 0.805 176.090 175.328 -0.072 0.000 1.037 72 H CA 0.317 56.356 56.048 -0.016 0.000 1.168 72 H CB -0.193 29.586 29.762 0.029 0.000 1.497 72 H HN -0.133 nan 8.280 nan 0.000 0.547 73 S N 1.797 117.467 115.700 -0.050 0.000 2.580 73 S HA 0.098 4.567 4.470 -0.001 0.000 0.274 73 S C -1.482 172.970 174.600 -0.246 0.000 1.329 73 S CA -1.199 56.940 58.200 -0.101 0.000 1.036 73 S CB 1.487 64.685 63.200 -0.003 0.000 0.919 73 S HN -0.042 nan 8.310 nan 0.000 0.515 74 P HA -0.027 nan 4.420 nan 0.000 0.222 74 P C -0.050 176.668 177.300 -0.971 0.000 1.147 74 P CA 1.232 63.865 63.100 -0.778 0.000 0.790 74 P CB -0.061 30.760 31.700 -1.464 0.000 0.780 75 Y N -3.141 116.868 120.300 -0.485 0.000 2.461 75 Y HA 0.185 4.735 4.550 -0.001 0.000 0.277 75 Y C 0.722 176.133 175.900 -0.814 0.000 1.182 75 Y CA -0.739 56.991 58.100 -0.616 0.000 1.276 75 Y CB -0.412 37.964 38.460 -0.140 0.000 1.087 75 Y HN -0.123 nan 8.280 nan 0.000 0.519 76 F N 0.681 120.151 119.950 -0.799 0.000 2.390 76 F HA 0.315 4.842 4.527 -0.001 0.000 0.361 76 F C -0.612 174.665 175.800 -0.871 0.000 1.124 76 F CA -0.792 56.858 58.000 -0.582 0.000 1.149 76 F CB 0.092 38.866 39.000 -0.377 0.000 1.160 76 F HN -0.053 nan 8.300 nan 0.000 0.501 77 F N 5.227 124.769 119.950 -0.681 0.000 2.835 77 F HA 0.463 4.989 4.527 -0.001 0.000 0.342 77 F C 0.556 175.772 175.800 -0.974 0.000 1.202 77 F CA -0.510 57.004 58.000 -0.811 0.000 1.240 77 F CB 0.042 38.414 39.000 -1.046 0.000 1.005 77 F HN 0.533 nan 8.300 nan 0.000 0.507 78 A N -0.780 121.250 122.820 -1.318 0.000 2.282 78 A HA 0.673 4.993 4.320 -0.001 0.000 0.319 78 A C 0.016 177.021 177.584 -0.965 0.000 1.121 78 A CA -0.347 50.804 52.037 -1.476 0.000 0.836 78 A CB 0.443 18.097 19.000 -2.243 0.000 1.146 78 A HN 0.512 nan 8.150 nan 0.000 0.494 79 Y N -0.610 119.355 120.300 -0.558 0.000 2.815 79 Y HA -0.336 4.213 4.550 -0.001 0.000 0.471 79 Y C 0.421 176.033 175.900 -0.481 0.000 1.140 79 Y CA 2.128 59.975 58.100 -0.422 0.000 2.728 79 Y CB -1.217 37.162 38.460 -0.135 0.000 1.169 79 Y HN 0.629 nan 8.280 nan 0.000 0.620 80 F N 1.330 121.351 119.950 0.117 0.000 2.626 80 F HA 0.459 4.985 4.527 -0.001 0.000 0.311 80 F C -2.289 173.638 175.800 0.213 0.000 1.088 80 F CA -2.298 55.643 58.000 -0.098 0.000 0.949 80 F CB 2.485 41.370 39.000 -0.191 0.000 1.322 80 F HN -0.097 nan 8.300 nan 0.000 0.461 81 P HA 0.018 nan 4.420 nan 0.000 0.269 81 P C -0.718 176.910 177.300 0.547 0.000 1.215 81 P CA 0.064 63.450 63.100 0.476 0.000 0.780 81 P CB 1.384 33.332 31.700 0.413 0.000 0.898 82 T N 0.227 115.102 114.554 0.535 0.000 2.912 82 T HA 0.596 4.945 4.350 -0.001 0.000 0.288 82 T C -0.505 174.437 174.700 0.404 0.000 1.030 82 T CA -0.614 61.690 62.100 0.340 0.000 1.020 82 T CB 0.623 69.440 68.868 -0.086 0.000 1.056 82 T HN 0.453 nan 8.240 nan 0.000 0.480 83 A N 2.403 125.409 122.820 0.311 0.000 2.388 83 A HA 0.624 4.943 4.320 -0.001 0.000 0.257 83 A C 0.165 177.794 177.584 0.075 0.000 1.095 83 A CA -0.342 51.830 52.037 0.225 0.000 0.791 83 A CB 0.323 19.426 19.000 0.171 0.000 1.029 83 A HN 0.824 nan 8.150 nan 0.000 0.489 84 S N 0.991 116.651 115.700 -0.066 0.000 2.706 84 S HA 0.609 5.078 4.470 -0.001 0.000 0.270 84 S C -0.765 173.674 174.600 -0.269 0.000 1.163 84 S CA 0.121 58.138 58.200 -0.306 0.000 1.042 84 S CB 0.460 63.153 63.200 -0.845 0.000 1.079 84 S HN 1.995 nan 8.310 nan 0.000 0.474 85 S N 4.052 119.614 115.700 -0.231 0.000 2.556 85 S HA 0.542 5.012 4.470 -0.001 0.000 0.271 85 S C 0.030 174.543 174.600 -0.145 0.000 1.135 85 S CA -0.722 57.370 58.200 -0.182 0.000 0.858 85 S CB 0.725 63.919 63.200 -0.010 0.000 1.114 85 S HN 0.646 nan 8.310 nan 0.000 0.468 86 Y N 0.730 121.080 120.300 0.082 0.000 2.242 86 Y HA 0.097 4.646 4.550 -0.001 0.000 0.291 86 Y C -0.951 174.995 175.900 0.078 0.000 1.137 86 Y CA 1.014 59.148 58.100 0.057 0.000 1.181 86 Y CB -1.508 36.976 38.460 0.039 0.000 0.989 86 Y HN 0.513 nan 8.280 nan 0.000 0.527 87 P HA -0.181 nan 4.420 nan 0.000 0.216 87 P C 1.408 178.811 177.300 0.171 0.000 1.153 87 P CA 2.132 65.387 63.100 0.257 0.000 0.848 87 P CB -0.063 31.802 31.700 0.275 0.000 0.787 88 A N -1.006 121.866 122.820 0.087 0.000 1.933 88 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 88 A C 2.172 179.719 177.584 -0.063 0.000 1.175 88 A CA 1.764 53.785 52.037 -0.026 0.000 0.628 88 A CB -1.423 17.552 19.000 -0.042 0.000 0.814 88 A HN 0.116 nan 8.150 nan 0.000 0.444 89 M N -0.793 118.808 119.600 0.002 0.000 2.175 89 M HA -0.043 4.436 4.480 -0.001 0.000 0.264 89 M C 2.015 178.310 176.300 -0.008 0.000 1.063 89 M CA 1.132 56.440 55.300 0.013 0.000 1.119 89 M CB -0.386 32.269 32.600 0.092 0.000 1.377 89 M HN 0.368 nan 8.290 nan 0.000 0.415 90 L N -0.414 120.821 121.223 0.021 0.000 2.093 90 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 90 L C 2.787 179.499 176.870 -0.263 0.000 1.085 90 L CA 1.094 55.939 54.840 0.008 0.000 0.755 90 L CB -0.788 41.389 42.059 0.196 0.000 0.904 90 L HN 0.283 nan 8.230 nan 0.000 0.435 91 A N -0.595 121.878 122.820 -0.579 0.000 1.930 91 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 91 A C 1.988 179.278 177.584 -0.490 0.000 1.175 91 A CA 1.778 53.211 52.037 -1.007 0.000 0.627 91 A CB -0.461 17.929 19.000 -1.017 0.000 0.815 91 A HN 0.310 nan 8.150 nan 0.000 0.443 92 D N -0.506 119.723 120.400 -0.284 0.000 2.144 92 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 92 D C 2.016 178.239 176.300 -0.129 0.000 0.984 92 D CA 1.243 55.139 54.000 -0.173 0.000 0.834 92 D CB -0.210 40.529 40.800 -0.102 0.000 0.955 92 D HN 0.483 nan 8.370 nan 0.000 0.465 93 M N -0.496 119.043 119.600 -0.102 0.000 2.086 93 M HA -0.149 4.330 4.480 -0.001 0.000 0.261 93 M C 2.123 178.385 176.300 -0.064 0.000 1.067 93 M CA 0.866 56.145 55.300 -0.034 0.000 1.116 93 M CB -0.219 32.395 32.600 0.024 0.000 1.348 93 M HN 0.048 nan 8.290 nan 0.000 0.407 94 L N 0.095 121.243 121.223 -0.125 0.000 2.046 94 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 94 L C 2.575 179.360 176.870 -0.142 0.000 1.077 94 L CA 1.760 56.529 54.840 -0.119 0.000 0.747 94 L CB -0.828 41.132 42.059 -0.166 0.000 0.896 94 L HN 0.501 nan 8.230 nan 0.000 0.432 95 C N -0.135 119.046 119.300 -0.199 0.000 2.413 95 C HA -0.095 4.364 4.460 -0.001 0.000 0.276 95 C C 2.829 177.781 174.990 -0.063 0.000 1.248 95 C CA 1.011 59.941 59.018 -0.147 0.000 1.742 95 C CB -1.698 25.947 27.740 -0.158 0.000 2.017 95 C HN 0.700 nan 8.230 nan 0.000 0.481 96 G N -0.464 108.293 108.800 -0.070 0.000 2.422 96 G HA2 0.103 4.063 3.960 -0.001 0.000 0.218 96 G HA3 0.103 4.063 3.960 -0.001 0.000 0.218 96 G C 1.925 176.785 174.900 -0.068 0.000 1.140 96 G CA 0.992 46.056 45.100 -0.059 0.000 0.775 96 G HN 0.765 nan 8.290 nan 0.000 0.545 97 A N 0.869 123.648 122.820 -0.069 0.000 1.872 97 A HA 0.129 4.448 4.320 -0.001 0.000 0.214 97 A C 2.358 179.915 177.584 -0.046 0.000 1.187 97 A CA 1.037 53.029 52.037 -0.075 0.000 0.614 97 A CB -0.316 18.653 19.000 -0.052 0.000 0.826 97 A HN 0.335 nan 8.150 nan 0.000 0.442 98 I N -0.307 120.251 120.570 -0.020 0.000 2.226 98 I HA -0.121 4.049 4.170 -0.001 0.000 0.245 98 I C 1.808 177.927 176.117 0.003 0.000 1.100 98 I CA 0.965 62.274 61.300 0.014 0.000 1.374 98 I CB -0.789 37.260 38.000 0.082 0.000 1.057 98 I HN 0.482 nan 8.210 nan 0.000 0.413 99 G N 1.951 110.751 108.800 -0.000 0.000 2.395 99 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.300 99 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.300 99 G C 0.312 175.201 174.900 -0.019 0.000 0.998 99 G CA 0.331 45.422 45.100 -0.015 0.000 1.046 99 G HN 0.596 nan 8.290 nan 0.000 0.513 100 C N -0.756 118.532 119.300 -0.019 0.000 2.382 100 C HA 0.850 5.309 4.460 -0.001 0.000 0.363 100 C C 0.533 175.478 174.990 -0.075 0.000 1.213 100 C CA -1.973 57.002 59.018 -0.072 0.000 2.363 100 C CB 1.207 28.861 27.740 -0.144 0.000 2.397 100 C HN 0.396 nan 8.230 nan 0.000 0.573 101 I N 2.773 123.298 120.570 -0.074 0.000 2.371 101 I HA 0.297 4.467 4.170 -0.001 0.000 0.282 101 I C 1.138 177.157 176.117 -0.163 0.000 1.031 101 I CA -0.241 61.050 61.300 -0.015 0.000 1.180 101 I CB 0.274 38.374 38.000 0.167 0.000 1.336 101 I HN 1.098 nan 8.210 nan 0.000 0.467 102 G N 5.597 114.269 108.800 -0.214 0.000 3.353 102 G HA2 0.024 3.983 3.960 -0.001 0.000 0.247 102 G HA3 0.024 3.983 3.960 -0.001 0.000 0.247 102 G C 0.864 175.613 174.900 -0.250 0.000 1.025 102 G CA -0.265 44.635 45.100 -0.333 0.000 1.863 102 G HN 0.635 nan 8.290 nan 0.000 0.635 103 F N 0.625 120.515 119.950 -0.101 0.000 2.748 103 F HA 0.287 4.814 4.527 -0.001 0.000 0.299 103 F C 0.885 176.646 175.800 -0.065 0.000 1.154 103 F CA -0.618 57.334 58.000 -0.081 0.000 1.446 103 F CB -0.310 38.648 39.000 -0.070 0.000 1.112 103 F HN 0.221 nan 8.300 nan 0.000 0.584 104 S N -2.649 112.793 115.700 -0.429 0.000 2.596 104 S HA 0.207 4.676 4.470 -0.001 0.000 0.270 104 S C -0.184 174.289 174.600 -0.212 0.000 1.155 104 S CA -0.865 57.224 58.200 -0.184 0.000 0.827 104 S CB 0.144 63.288 63.200 -0.093 0.000 1.130 104 S HN 0.331 nan 8.310 nan 0.000 0.467 105 W N 1.805 122.973 121.300 -0.219 0.000 2.335 105 W HA 0.020 4.680 4.660 -0.001 0.000 0.311 105 W C 2.388 178.772 176.519 -0.226 0.000 1.213 105 W CA 2.670 59.888 57.345 -0.212 0.000 1.274 105 W CB -0.745 28.622 29.460 -0.154 0.000 1.148 105 W HN 0.913 nan 8.180 nan 0.000 0.498 106 A N 0.472 123.293 122.820 0.001 0.000 2.076 106 A HA -0.061 4.259 4.320 -0.001 0.000 0.220 106 A C 1.985 179.357 177.584 -0.355 0.000 1.160 106 A CA 2.057 54.003 52.037 -0.152 0.000 0.653 106 A CB -1.406 17.626 19.000 0.053 0.000 0.801 106 A HN 0.445 nan 8.150 nan 0.000 0.455 107 A N -1.959 120.573 122.820 -0.479 0.000 2.168 107 A HA 0.357 4.676 4.320 -0.001 0.000 0.215 107 A C 0.840 178.137 177.584 -0.478 0.000 1.152 107 A CA 1.151 52.851 52.037 -0.562 0.000 0.716 107 A CB -0.198 18.188 19.000 -1.023 0.000 0.794 107 A HN 0.683 nan 8.150 nan 0.000 0.465 108 S N -1.858 113.506 115.700 -0.560 0.000 2.724 108 S HA 0.168 4.637 4.470 -0.001 0.000 0.189 108 S C -2.474 171.679 174.600 -0.745 0.000 0.650 108 S CA -0.585 57.274 58.200 -0.568 0.000 0.769 108 S CB 0.388 63.302 63.200 -0.477 0.000 1.348 108 S HN 0.045 nan 8.310 nan 0.000 0.498 109 P HA -0.221 nan 4.420 nan 0.000 0.217 109 P C 1.531 178.454 177.300 -0.627 0.000 1.162 109 P CA 2.097 64.435 63.100 -1.269 0.000 0.901 109 P CB 0.179 31.116 31.700 -1.272 0.000 0.793 110 A N -1.359 121.174 122.820 -0.478 0.000 1.972 110 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 110 A C 2.460 179.679 177.584 -0.608 0.000 1.169 110 A CA 1.809 53.642 52.037 -0.339 0.000 0.635 110 A CB -1.902 17.021 19.000 -0.130 0.000 0.810 110 A HN 0.346 nan 8.150 nan 0.000 0.446 111 C N -1.195 117.484 119.300 -1.035 0.000 2.425 111 C HA -0.079 4.380 4.460 -0.001 0.000 0.277 111 C C 2.891 177.492 174.990 -0.648 0.000 1.280 111 C CA 1.995 60.131 59.018 -1.469 0.000 1.744 111 C CB -1.366 25.703 27.740 -1.119 0.000 1.989 111 C HN 0.595 nan 8.230 nan 0.000 0.491 112 T N -0.122 114.185 114.554 -0.412 0.000 2.939 112 T HA -0.040 4.309 4.350 -0.001 0.000 0.254 112 T C 1.692 176.350 174.700 -0.070 0.000 1.041 112 T CA 1.156 63.177 62.100 -0.132 0.000 1.142 112 T CB -0.216 68.595 68.868 -0.094 0.000 0.874 112 T HN 0.639 nan 8.240 nan 0.000 0.452 113 E N 0.836 120.965 120.200 -0.117 0.000 2.106 113 E HA -0.058 4.291 4.350 -0.001 0.000 0.192 113 E C 2.095 178.628 176.600 -0.112 0.000 0.984 113 E CA 0.670 57.030 56.400 -0.068 0.000 0.806 113 E CB -0.181 29.509 29.700 -0.018 0.000 0.750 113 E HN 0.194 nan 8.360 nan 0.000 0.458 114 L N 1.667 122.797 121.223 -0.157 0.000 2.083 114 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 114 L C 2.214 178.963 176.870 -0.201 0.000 1.083 114 L CA 1.785 56.483 54.840 -0.238 0.000 0.752 114 L CB -0.247 41.694 42.059 -0.197 0.000 0.899 114 L HN 0.051 nan 8.230 nan 0.000 0.433 115 E N -1.292 118.841 120.200 -0.110 0.000 2.077 115 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 115 E C 1.847 178.404 176.600 -0.071 0.000 0.989 115 E CA 1.827 58.158 56.400 -0.115 0.000 0.800 115 E CB -0.078 29.527 29.700 -0.158 0.000 0.746 115 E HN 0.551 nan 8.360 nan 0.000 0.452 116 T N 0.169 114.733 114.554 0.016 0.000 2.788 116 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 116 T C 1.881 176.594 174.700 0.021 0.000 1.044 116 T CA 1.268 63.392 62.100 0.041 0.000 1.139 116 T CB -0.112 68.759 68.868 0.004 0.000 0.867 116 T HN 0.031 nan 8.240 nan 0.000 0.454 117 V N 1.501 121.376 119.914 -0.065 0.000 2.379 117 V HA -0.105 4.014 4.120 -0.001 0.000 0.245 117 V C 2.565 178.556 176.094 -0.172 0.000 1.044 117 V CA 1.149 63.383 62.300 -0.110 0.000 1.036 117 V CB -0.545 31.130 31.823 -0.247 0.000 0.664 117 V HN 0.410 nan 8.190 nan 0.000 0.453 118 M N -1.080 118.389 119.600 -0.219 0.000 2.159 118 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 118 M C 2.157 178.617 176.300 0.265 0.000 1.063 118 M CA 1.652 56.926 55.300 -0.043 0.000 1.110 118 M CB -0.907 31.653 32.600 -0.068 0.000 1.374 118 M HN 0.288 nan 8.290 nan 0.000 0.411 119 M N -0.236 119.461 119.600 0.162 0.000 2.319 119 M HA -0.130 4.349 4.480 -0.001 0.000 0.265 119 M C 1.333 177.979 176.300 0.577 0.000 1.068 119 M CA 1.268 56.719 55.300 0.253 0.000 1.118 119 M CB -1.250 31.323 32.600 -0.045 0.000 1.395 119 M HN 0.148 nan 8.290 nan 0.000 0.435 120 D N -0.984 119.679 120.400 0.439 0.000 2.137 120 D HA -0.130 4.509 4.640 -0.001 0.000 0.202 120 D C 1.816 178.421 176.300 0.509 0.000 0.970 120 D CA 0.803 55.081 54.000 0.464 0.000 0.837 120 D CB -0.185 40.825 40.800 0.350 0.000 0.981 120 D HN 0.282 nan 8.370 nan 0.000 0.475 121 W N 1.053 122.504 121.300 0.253 0.000 2.317 121 W HA -0.118 4.542 4.660 -0.000 0.000 0.318 121 W C 2.245 178.838 176.519 0.124 0.000 1.227 121 W CA 0.432 57.885 57.345 0.180 0.000 1.269 121 W CB -1.193 28.408 29.460 0.236 0.000 1.155 121 W HN 0.034 nan 8.180 nan 0.000 0.484 122 L N 0.549 122.082 121.223 0.517 0.000 2.093 122 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 122 L C 2.361 179.467 176.870 0.393 0.000 1.085 122 L CA 2.476 57.570 54.840 0.423 0.000 0.755 122 L CB -1.430 41.068 42.059 0.731 0.000 0.904 122 L HN -0.004 nan 8.230 nan 0.000 0.435 123 G N -0.712 108.372 108.800 0.474 0.000 2.422 123 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 123 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 123 G C 1.686 176.581 174.900 -0.009 0.000 1.146 123 G CA 0.838 45.972 45.100 0.056 0.000 0.769 123 G HN 0.418 nan 8.290 nan 0.000 0.547 124 K N -0.367 120.086 120.400 0.089 0.000 2.097 124 K HA 0.127 4.446 4.320 -0.001 0.000 0.205 124 K C 2.622 179.201 176.600 -0.035 0.000 1.050 124 K CA 0.880 57.178 56.287 0.018 0.000 0.938 124 K CB -0.213 32.312 32.500 0.041 0.000 0.718 124 K HN 0.266 nan 8.250 nan 0.000 0.442 125 M N 0.609 120.190 119.600 -0.032 0.000 2.202 125 M HA -0.161 4.319 4.480 -0.001 0.000 0.262 125 M C 1.734 177.991 176.300 -0.071 0.000 1.063 125 M CA 1.497 56.753 55.300 -0.074 0.000 1.097 125 M CB -0.184 32.352 32.600 -0.107 0.000 1.382 125 M HN 0.119 nan 8.290 nan 0.000 0.413 126 L N -0.533 120.643 121.223 -0.078 0.000 2.591 126 L HA 0.011 4.350 4.340 -0.001 0.000 0.228 126 L C 0.444 177.208 176.870 -0.177 0.000 1.133 126 L CA 0.064 54.829 54.840 -0.125 0.000 0.880 126 L CB -0.230 41.718 42.059 -0.186 0.000 1.033 126 L HN 0.363 nan 8.230 nan 0.000 0.450 127 Q N 0.613 120.326 119.800 -0.145 0.000 2.451 127 Q HA -0.196 4.143 4.340 -0.001 0.000 0.305 127 Q C -0.311 175.567 176.000 -0.203 0.000 1.345 127 Q CA 0.301 56.018 55.803 -0.144 0.000 0.854 127 Q CB -1.681 26.979 28.738 -0.130 0.000 1.162 127 Q HN 0.471 nan 8.270 nan 0.000 0.440 128 L N 0.304 121.376 121.223 -0.251 0.000 2.452 128 L HA 0.295 4.634 4.340 -0.001 0.000 0.267 128 L C -1.527 175.281 176.870 -0.103 0.000 1.188 128 L CA -1.814 52.842 54.840 -0.307 0.000 0.821 128 L CB 0.049 41.811 42.059 -0.494 0.000 1.102 128 L HN -0.054 nan 8.230 nan 0.000 0.470 129 P HA 0.001 nan 4.420 nan 0.000 0.267 129 P C 0.153 177.500 177.300 0.079 0.000 1.200 129 P CA -0.035 63.084 63.100 0.032 0.000 0.772 129 P CB 0.492 32.224 31.700 0.053 0.000 0.855 130 E N 1.653 121.862 120.200 0.016 0.000 2.265 130 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 130 E C 1.820 178.437 176.600 0.028 0.000 0.996 130 E CA 1.120 57.541 56.400 0.035 0.000 0.832 130 E CB -0.266 29.440 29.700 0.011 0.000 0.756 130 E HN 0.489 nan 8.360 nan 0.000 0.491 131 A N 0.451 123.231 122.820 -0.067 0.000 2.024 131 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 131 A C 1.625 179.094 177.584 -0.191 0.000 1.164 131 A CA 1.109 53.033 52.037 -0.188 0.000 0.643 131 A CB -0.580 18.196 19.000 -0.373 0.000 0.806 131 A HN 0.215 nan 8.150 nan 0.000 0.451 132 F N -1.103 118.887 119.950 0.066 0.000 2.789 132 F HA 0.229 4.756 4.527 -0.001 0.000 0.300 132 F C 0.222 176.200 175.800 0.296 0.000 1.132 132 F CA -0.327 57.778 58.000 0.176 0.000 1.404 132 F CB 0.097 39.131 39.000 0.056 0.000 1.114 132 F HN -0.002 nan 8.300 nan 0.000 0.584 133 L N -0.289 121.144 121.223 0.350 0.000 2.350 133 L HA 0.355 4.695 4.340 -0.001 0.000 0.275 133 L C 1.269 178.310 176.870 0.286 0.000 1.099 133 L CA -0.354 54.688 54.840 0.336 0.000 0.808 133 L CB 0.836 43.033 42.059 0.229 0.000 1.149 133 L HN 0.035 nan 8.230 nan 0.000 0.442 134 A N 2.787 125.785 122.820 0.296 0.000 1.855 134 A HA 0.361 4.680 4.320 -0.001 0.000 0.213 134 A C 1.414 179.095 177.584 0.161 0.000 1.195 134 A CA 1.050 53.223 52.037 0.227 0.000 0.610 134 A CB -1.151 17.968 19.000 0.199 0.000 0.837 134 A HN 1.008 nan 8.150 nan 0.000 0.444 135 G N -0.809 108.085 108.800 0.157 0.000 2.581 135 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.291 135 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.291 135 G C 0.468 175.423 174.900 0.092 0.000 1.277 135 G CA 0.723 45.897 45.100 0.123 0.000 0.959 135 G HN 0.507 nan 8.290 nan 0.000 0.554 136 E N 0.075 120.319 120.200 0.074 0.000 2.415 136 E HA 0.439 4.788 4.350 -0.001 0.000 0.197 136 E C 1.828 178.456 176.600 0.047 0.000 1.007 136 E CA 0.640 57.073 56.400 0.054 0.000 0.890 136 E CB 0.357 30.084 29.700 0.045 0.000 0.891 136 E HN 0.833 nan 8.360 nan 0.000 0.496 137 A N 0.678 123.530 122.820 0.053 0.000 2.630 137 A HA 0.359 4.679 4.320 -0.001 0.000 0.287 137 A C 0.641 178.258 177.584 0.055 0.000 1.040 137 A CA -0.089 51.975 52.037 0.045 0.000 0.971 137 A CB 0.594 19.614 19.000 0.033 0.000 1.241 137 A HN 0.144 nan 8.150 nan 0.000 0.558 138 G N -0.506 108.340 108.800 0.078 0.000 2.467 138 G HA2 0.412 4.372 3.960 -0.001 0.000 0.257 138 G HA3 0.412 4.372 3.960 -0.001 0.000 0.257 138 G C 0.315 175.277 174.900 0.103 0.000 1.227 138 G CA -0.139 45.014 45.100 0.089 0.000 0.835 138 G HN 0.381 nan 8.290 nan 0.000 0.556 139 E N 0.967 121.216 120.200 0.082 0.000 2.299 139 E HA 0.051 4.400 4.350 -0.001 0.000 0.193 139 E C 1.836 178.518 176.600 0.136 0.000 0.998 139 E CA 0.371 56.822 56.400 0.086 0.000 0.851 139 E CB 0.321 30.044 29.700 0.038 0.000 0.795 139 E HN 0.545 nan 8.360 nan 0.000 0.492 140 G N 0.160 109.056 108.800 0.161 0.000 2.582 140 G HA2 0.556 4.516 3.960 -0.001 0.000 0.232 140 G HA3 0.556 4.516 3.960 -0.001 0.000 0.232 140 G C 0.120 175.291 174.900 0.453 0.000 1.458 140 G CA 0.114 45.371 45.100 0.263 0.000 1.062 140 G HN 0.332 nan 8.290 nan 0.000 0.566 141 G N -3.293 105.869 108.800 0.604 0.000 2.359 141 G HA2 0.545 4.505 3.960 -0.001 0.000 0.314 141 G HA3 0.545 4.505 3.960 -0.001 0.000 0.314 141 G C -0.494 174.825 174.900 0.700 0.000 1.364 141 G CA 0.111 45.589 45.100 0.629 0.000 0.978 141 G HN 1.525 nan 8.290 nan 0.000 0.615 142 G N -1.929 107.065 108.800 0.324 0.000 2.537 142 G HA2 0.942 4.901 3.960 -0.001 0.000 0.308 142 G HA3 0.942 4.901 3.960 -0.001 0.000 0.308 142 G C -1.168 173.606 174.900 -0.210 0.000 1.237 142 G CA -0.115 44.929 45.100 -0.093 0.000 0.968 142 G HN 1.875 nan 8.290 nan 0.000 0.481 143 V N 0.436 120.157 119.914 -0.322 0.000 3.087 143 V HA 0.603 4.723 4.120 -0.001 0.000 0.306 143 V C -1.022 174.778 176.094 -0.490 0.000 1.187 143 V CA -1.006 60.966 62.300 -0.547 0.000 0.999 143 V CB 2.023 33.651 31.823 -0.324 0.000 1.049 143 V HN 0.676 nan 8.190 nan 0.000 0.431 144 I N 5.540 125.778 120.570 -0.553 0.000 2.371 144 I HA 0.399 4.569 4.170 -0.001 0.000 0.290 144 I C 0.019 175.938 176.117 -0.331 0.000 1.028 144 I CA -0.283 60.766 61.300 -0.417 0.000 1.345 144 I CB 1.218 38.989 38.000 -0.381 0.000 1.407 144 I HN 0.588 nan 8.210 nan 0.000 0.501 145 Q N 3.861 123.505 119.800 -0.260 0.000 2.204 145 Q HA 0.310 4.649 4.340 -0.001 0.000 0.254 145 Q C 1.088 176.975 176.000 -0.189 0.000 0.981 145 Q CA -0.369 55.328 55.803 -0.177 0.000 0.897 145 Q CB 1.701 30.378 28.738 -0.102 0.000 1.273 145 Q HN 0.834 nan 8.270 nan 0.000 0.464 146 G N 0.423 109.136 108.800 -0.145 0.000 2.443 146 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.219 146 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.219 146 G C 0.306 175.117 174.900 -0.149 0.000 1.131 146 G CA 0.982 45.977 45.100 -0.174 0.000 0.775 146 G HN 0.598 nan 8.290 nan 0.000 0.547 147 S N -3.252 112.429 115.700 -0.032 0.000 2.615 147 S HA 0.593 5.062 4.470 -0.001 0.000 0.268 147 S C 0.662 175.299 174.600 0.062 0.000 1.146 147 S CA 0.266 58.534 58.200 0.113 0.000 0.818 147 S CB 1.029 64.372 63.200 0.240 0.000 1.111 147 S HN 0.700 nan 8.310 nan 0.000 0.465 148 A N 1.521 124.392 122.820 0.086 0.000 1.930 148 A HA 0.094 4.414 4.320 -0.001 0.000 0.217 148 A C 2.126 179.794 177.584 0.140 0.000 1.175 148 A CA 2.056 54.147 52.037 0.089 0.000 0.627 148 A CB -1.436 17.614 19.000 0.084 0.000 0.815 148 A HN 0.986 nan 8.150 nan 0.000 0.443 149 S N -0.061 115.733 115.700 0.155 0.000 2.370 149 S HA -0.193 4.276 4.470 -0.001 0.000 0.226 149 S C 1.801 176.475 174.600 0.124 0.000 1.033 149 S CA 1.708 60.009 58.200 0.168 0.000 1.011 149 S CB -0.286 63.021 63.200 0.179 0.000 0.852 149 S HN 0.744 nan 8.310 nan 0.000 0.457 150 E N 1.208 121.467 120.200 0.099 0.000 2.107 150 E HA 0.008 4.358 4.350 -0.001 0.000 0.191 150 E C 2.385 179.021 176.600 0.061 0.000 0.982 150 E CA 0.810 57.251 56.400 0.068 0.000 0.809 150 E CB -0.252 29.474 29.700 0.044 0.000 0.756 150 E HN 0.500 nan 8.360 nan 0.000 0.459 151 A N 0.915 123.776 122.820 0.068 0.000 1.908 151 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 151 A C 2.352 179.944 177.584 0.014 0.000 1.181 151 A CA 1.896 53.982 52.037 0.080 0.000 0.627 151 A CB -0.879 18.197 19.000 0.127 0.000 0.818 151 A HN 0.169 nan 8.150 nan 0.000 0.445 152 T N -0.095 114.479 114.554 0.034 0.000 2.821 152 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 152 T C 1.810 176.478 174.700 -0.053 0.000 1.046 152 T CA 1.450 63.520 62.100 -0.050 0.000 1.139 152 T CB -0.299 68.667 68.868 0.163 0.000 0.871 152 T HN 0.343 nan 8.240 nan 0.000 0.454 153 L N 1.259 122.479 121.223 -0.005 0.000 2.093 153 L HA 0.043 4.383 4.340 -0.001 0.000 0.208 153 L C 2.356 179.187 176.870 -0.065 0.000 1.085 153 L CA 1.375 56.194 54.840 -0.035 0.000 0.755 153 L CB -0.716 41.356 42.059 0.021 0.000 0.904 153 L HN 0.045 nan 8.230 nan 0.000 0.435 154 V N 0.207 120.129 119.914 0.013 0.000 2.295 154 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 154 V C 2.813 178.872 176.094 -0.059 0.000 1.049 154 V CA 1.704 64.069 62.300 0.109 0.000 1.024 154 V CB -1.271 30.659 31.823 0.177 0.000 0.648 154 V HN 0.614 nan 8.190 nan 0.000 0.447 155 A N -0.568 122.164 122.820 -0.147 0.000 1.933 155 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 155 A C 2.235 179.345 177.584 -0.789 0.000 1.175 155 A CA 2.026 53.885 52.037 -0.296 0.000 0.628 155 A CB -0.545 18.407 19.000 -0.080 0.000 0.814 155 A HN 0.511 nan 8.150 nan 0.000 0.444 156 L N -0.523 120.194 121.223 -0.842 0.000 2.046 156 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 156 L C 2.347 178.811 176.870 -0.677 0.000 1.077 156 L CA 1.324 55.385 54.840 -1.298 0.000 0.747 156 L CB -0.203 41.317 42.059 -0.899 0.000 0.896 156 L HN 0.416 nan 8.230 nan 0.000 0.432 157 L N -0.539 120.414 121.223 -0.451 0.000 2.093 157 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 157 L C 2.802 179.417 176.870 -0.425 0.000 1.085 157 L CA 1.055 55.674 54.840 -0.369 0.000 0.755 157 L CB -0.828 41.034 42.059 -0.328 0.000 0.904 157 L HN 0.344 nan 8.230 nan 0.000 0.435 158 A N 0.072 122.593 122.820 -0.498 0.000 1.898 158 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 158 A C 2.534 179.799 177.584 -0.530 0.000 1.181 158 A CA 1.640 53.390 52.037 -0.480 0.000 0.620 158 A CB -0.681 18.030 19.000 -0.481 0.000 0.819 158 A HN 0.383 nan 8.150 nan 0.000 0.442 159 A N -0.429 121.875 122.820 -0.861 0.000 1.933 159 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 159 A C 2.256 179.892 177.584 0.087 0.000 1.175 159 A CA 1.690 53.518 52.037 -0.348 0.000 0.628 159 A CB -0.488 18.251 19.000 -0.434 0.000 0.814 159 A HN 0.544 nan 8.150 nan 0.000 0.444 160 R N -0.899 119.577 120.500 -0.041 0.000 2.081 160 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 160 R C 2.101 178.282 176.300 -0.198 0.000 1.131 160 R CA 1.963 57.931 56.100 -0.220 0.000 0.960 160 R CB -0.499 29.624 30.300 -0.295 0.000 0.856 160 R HN 0.483 nan 8.270 nan 0.000 0.436 161 T N 0.801 115.250 114.554 -0.175 0.000 2.777 161 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 161 T C 1.634 176.300 174.700 -0.056 0.000 1.040 161 T CA 1.461 63.478 62.100 -0.138 0.000 1.141 161 T CB -0.079 68.689 68.868 -0.167 0.000 0.868 161 T HN 0.300 nan 8.240 nan 0.000 0.444 162 K N 0.580 120.987 120.400 0.011 0.000 2.026 162 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 162 K C 2.289 178.944 176.600 0.092 0.000 1.048 162 K CA 1.139 57.487 56.287 0.101 0.000 0.929 162 K CB -0.479 32.173 32.500 0.254 0.000 0.713 162 K HN 0.145 nan 8.250 nan 0.000 0.439 163 V N 0.553 120.529 119.914 0.104 0.000 2.548 163 V HA -0.143 3.976 4.120 -0.001 0.000 0.249 163 V C 1.959 178.049 176.094 -0.007 0.000 1.055 163 V CA 1.296 63.646 62.300 0.082 0.000 1.065 163 V CB 0.173 32.075 31.823 0.132 0.000 0.681 163 V HN 0.218 nan 8.190 nan 0.000 0.462 164 V N 0.274 120.150 119.914 -0.063 0.000 2.358 164 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 164 V C 2.610 178.679 176.094 -0.042 0.000 1.047 164 V CA 2.459 64.710 62.300 -0.081 0.000 1.035 164 V CB -0.788 30.965 31.823 -0.116 0.000 0.658 164 V HN 0.496 nan 8.190 nan 0.000 0.452 165 R N -0.512 119.972 120.500 -0.026 0.000 2.092 165 R HA -0.104 4.236 4.340 -0.001 0.000 0.231 165 R C 2.538 178.839 176.300 0.003 0.000 1.119 165 R CA 1.302 57.395 56.100 -0.012 0.000 0.970 165 R CB -0.323 29.973 30.300 -0.005 0.000 0.864 165 R HN 0.403 nan 8.270 nan 0.000 0.440 166 R N 0.516 121.026 120.500 0.018 0.000 2.081 166 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 166 R C 1.822 178.131 176.300 0.015 0.000 1.131 166 R CA 1.243 57.359 56.100 0.027 0.000 0.960 166 R CB -0.112 30.218 30.300 0.049 0.000 0.856 166 R HN 0.069 nan 8.270 nan 0.000 0.436 167 L N 1.102 122.330 121.223 0.007 0.000 2.093 167 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 167 L C 2.267 179.133 176.870 -0.007 0.000 1.085 167 L CA 1.723 56.563 54.840 -0.001 0.000 0.755 167 L CB -0.587 41.464 42.059 -0.013 0.000 0.904 167 L HN 0.243 nan 8.230 nan 0.000 0.435 168 Q N -1.541 118.251 119.800 -0.013 0.000 2.311 168 Q HA -0.024 4.316 4.340 -0.001 0.000 0.203 168 Q C 2.236 178.231 176.000 -0.008 0.000 0.954 168 Q CA 0.991 56.785 55.803 -0.014 0.000 0.885 168 Q CB -0.133 28.592 28.738 -0.022 0.000 0.963 168 Q HN 0.534 nan 8.270 nan 0.000 0.471 169 A N 0.946 123.764 122.820 -0.003 0.000 1.969 169 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 169 A C 2.159 179.744 177.584 0.001 0.000 1.169 169 A CA 1.473 53.510 52.037 0.000 0.000 0.635 169 A CB -0.353 18.650 19.000 0.005 0.000 0.810 169 A HN 0.354 nan 8.150 nan 0.000 0.445 170 A N -1.930 120.892 122.820 0.003 0.000 2.081 170 A HA 0.357 4.676 4.320 -0.001 0.000 0.214 170 A C 1.339 178.924 177.584 0.001 0.000 1.158 170 A CA 1.193 53.233 52.037 0.004 0.000 0.724 170 A CB -0.069 18.936 19.000 0.007 0.000 0.826 170 A HN 0.551 nan 8.150 nan 0.000 0.463 171 S N -0.097 115.602 115.700 -0.002 0.000 2.293 171 S HA 0.350 4.819 4.470 -0.001 0.000 0.154 171 S C -1.877 172.719 174.600 -0.007 0.000 1.602 171 S CA -0.885 57.312 58.200 -0.004 0.000 1.260 171 S CB 0.873 64.071 63.200 -0.003 0.000 1.270 171 S HN 0.185 nan 8.310 nan 0.000 0.416 172 P HA -0.132 nan 4.420 nan 0.000 0.218 172 P C 1.387 178.680 177.300 -0.012 0.000 1.152 172 P CA 1.635 64.729 63.100 -0.010 0.000 0.857 172 P CB -0.273 31.422 31.700 -0.007 0.000 0.787 173 G N -0.838 107.955 108.800 -0.011 0.000 2.956 173 G HA2 0.041 4.001 3.960 -0.001 0.000 0.207 173 G HA3 0.041 4.001 3.960 -0.001 0.000 0.207 173 G C 0.456 175.346 174.900 -0.016 0.000 1.162 173 G CA -0.230 44.863 45.100 -0.013 0.000 0.796 173 G HN 0.188 nan 8.290 nan 0.000 0.527 174 L N 2.766 123.978 121.223 -0.018 0.000 2.360 174 L HA 0.336 4.676 4.340 -0.001 0.000 0.276 174 L C 1.099 177.951 176.870 -0.030 0.000 1.121 174 L CA -0.289 54.537 54.840 -0.023 0.000 0.845 174 L CB 0.807 42.852 42.059 -0.024 0.000 1.143 174 L HN 0.141 nan 8.230 nan 0.000 0.452 175 T N 0.747 115.281 114.554 -0.033 0.000 2.902 175 T HA 0.238 4.588 4.350 -0.001 0.000 0.280 175 T C 0.763 175.431 174.700 -0.052 0.000 0.992 175 T CA -0.449 61.627 62.100 -0.039 0.000 1.015 175 T CB 1.140 69.987 68.868 -0.035 0.000 1.044 175 T HN 0.557 nan 8.240 nan 0.000 0.520 176 Q N 1.557 121.321 119.800 -0.059 0.000 2.096 176 Q HA 0.026 4.365 4.340 -0.001 0.000 0.204 176 Q C 2.316 178.267 176.000 -0.082 0.000 0.982 176 Q CA 2.487 58.243 55.803 -0.079 0.000 0.850 176 Q CB -1.216 27.474 28.738 -0.080 0.000 0.901 176 Q HN 0.979 nan 8.270 nan 0.000 0.422 177 G N -0.198 108.563 108.800 -0.065 0.000 2.422 177 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.218 177 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.218 177 G C 1.473 176.339 174.900 -0.058 0.000 1.146 177 G CA 0.954 46.018 45.100 -0.060 0.000 0.769 177 G HN 0.545 nan 8.290 nan 0.000 0.547 178 A N -0.051 122.738 122.820 -0.051 0.000 1.969 178 A HA 0.160 4.480 4.320 -0.001 0.000 0.218 178 A C 2.557 180.108 177.584 -0.055 0.000 1.169 178 A CA 1.627 53.637 52.037 -0.044 0.000 0.635 178 A CB -0.391 18.588 19.000 -0.035 0.000 0.810 178 A HN 0.244 nan 8.150 nan 0.000 0.445 179 V N 0.114 119.985 119.914 -0.072 0.000 2.379 179 V HA -0.191 3.929 4.120 -0.001 0.000 0.245 179 V C 2.499 178.517 176.094 -0.127 0.000 1.044 179 V CA 1.538 63.782 62.300 -0.094 0.000 1.036 179 V CB -0.643 31.113 31.823 -0.111 0.000 0.664 179 V HN 0.564 nan 8.190 nan 0.000 0.453 180 L N -0.154 120.988 121.223 -0.135 0.000 2.079 180 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 180 L C 2.575 179.380 176.870 -0.108 0.000 1.081 180 L CA 1.798 56.546 54.840 -0.153 0.000 0.752 180 L CB -0.674 41.309 42.059 -0.127 0.000 0.896 180 L HN 0.449 nan 8.230 nan 0.000 0.433 181 E N 0.090 120.246 120.200 -0.072 0.000 2.160 181 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 181 E C 1.911 178.490 176.600 -0.035 0.000 0.991 181 E CA 1.086 57.459 56.400 -0.045 0.000 0.810 181 E CB 0.052 29.733 29.700 -0.032 0.000 0.742 181 E HN 0.497 nan 8.360 nan 0.000 0.466 182 K N -0.087 120.286 120.400 -0.044 0.000 2.379 182 K HA 0.062 4.381 4.320 -0.001 0.000 0.194 182 K C -0.018 176.575 176.600 -0.012 0.000 1.031 182 K CA -0.203 56.072 56.287 -0.019 0.000 1.037 182 K CB 0.417 32.909 32.500 -0.014 0.000 0.824 182 K HN -0.058 nan 8.250 nan 0.000 0.516 183 L N 1.434 122.617 121.223 -0.066 0.000 2.416 183 L HA 0.130 4.470 4.340 -0.001 0.000 0.272 183 L C -0.215 176.708 176.870 0.088 0.000 1.161 183 L CA 0.150 54.957 54.840 -0.056 0.000 0.845 183 L CB 1.079 42.886 42.059 -0.419 0.000 1.119 183 L HN -0.206 nan 8.230 nan 0.000 0.464 184 V N 3.607 123.656 119.914 0.224 0.000 2.709 184 V HA 0.911 5.030 4.120 -0.001 0.000 0.308 184 V C -0.532 175.537 176.094 -0.042 0.000 1.062 184 V CA -0.371 61.953 62.300 0.040 0.000 0.901 184 V CB 1.804 33.548 31.823 -0.131 0.000 1.003 184 V HN 0.949 nan 8.190 nan 0.000 0.425 185 A N 5.573 128.287 122.820 -0.177 0.000 2.330 185 A HA 0.974 5.294 4.320 -0.001 0.000 0.329 185 A C -1.699 175.621 177.584 -0.440 0.000 1.135 185 A CA -0.531 51.355 52.037 -0.251 0.000 0.817 185 A CB 1.382 20.396 19.000 0.024 0.000 1.269 185 A HN 0.929 nan 8.150 nan 0.000 0.469 186 Y N -0.785 119.536 120.300 0.035 0.000 2.545 186 Y HA 0.724 5.273 4.550 -0.001 0.000 0.348 186 Y C 0.343 176.248 175.900 0.009 0.000 1.002 186 Y CA -0.182 57.938 58.100 0.034 0.000 1.039 186 Y CB 2.508 40.983 38.460 0.026 0.000 1.271 186 Y HN 1.043 nan 8.280 nan 0.000 0.467 187 A N 0.578 123.528 122.820 0.216 0.000 2.610 187 A HA 0.632 4.951 4.320 -0.001 0.000 0.291 187 A C -0.899 176.770 177.584 0.140 0.000 1.086 187 A CA -0.727 51.395 52.037 0.142 0.000 0.677 187 A CB 1.303 20.382 19.000 0.131 0.000 1.278 187 A HN 0.636 nan 8.150 nan 0.000 0.414 188 S N -0.556 115.217 115.700 0.121 0.000 2.584 188 S HA 0.234 4.703 4.470 -0.001 0.000 0.270 188 S C 0.915 175.584 174.600 0.115 0.000 1.346 188 S CA 0.569 58.837 58.200 0.115 0.000 1.018 188 S CB 0.367 63.637 63.200 0.118 0.000 0.899 188 S HN 0.845 nan 8.310 nan 0.000 0.542 189 D N 1.414 121.881 120.400 0.112 0.000 2.378 189 D HA -0.058 4.582 4.640 -0.001 0.000 0.222 189 D C 1.023 177.384 176.300 0.102 0.000 0.980 189 D CA 0.781 54.843 54.000 0.104 0.000 0.907 189 D CB -0.102 40.759 40.800 0.102 0.000 0.899 189 D HN 0.443 nan 8.370 nan 0.000 0.527 190 Q N 0.026 119.895 119.800 0.115 0.000 2.319 190 Q HA 0.351 4.690 4.340 -0.001 0.000 0.202 190 Q C 0.389 176.449 176.000 0.100 0.000 0.896 190 Q CA -0.050 55.811 55.803 0.097 0.000 0.942 190 Q CB 0.506 29.314 28.738 0.116 0.000 1.083 190 Q HN 0.404 nan 8.270 nan 0.000 0.510 191 A N 0.974 123.863 122.820 0.114 0.000 2.483 191 A HA 0.035 4.355 4.320 -0.001 0.000 0.238 191 A C 0.136 177.812 177.584 0.152 0.000 1.070 191 A CA -0.196 51.928 52.037 0.144 0.000 0.770 191 A CB 0.024 19.110 19.000 0.144 0.000 1.008 191 A HN 0.326 nan 8.150 nan 0.000 0.497 192 H N 1.317 120.450 119.070 0.104 0.000 2.771 192 H HA 0.047 4.603 4.556 -0.001 0.000 0.364 192 H C 1.622 177.006 175.328 0.095 0.000 1.133 192 H CA 0.876 56.984 56.048 0.099 0.000 1.423 192 H CB 0.939 30.778 29.762 0.129 0.000 1.425 192 H HN 0.828 nan 8.280 nan 0.000 0.606 193 S N 1.769 117.160 115.700 -0.515 0.000 2.469 193 S HA -0.202 4.268 4.470 -0.001 0.000 0.238 193 S C 2.076 176.634 174.600 -0.069 0.000 0.998 193 S CA 1.049 59.095 58.200 -0.256 0.000 0.957 193 S CB -0.431 62.594 63.200 -0.291 0.000 0.764 193 S HN 0.659 nan 8.310 nan 0.000 0.514 194 S N 1.405 117.154 115.700 0.081 0.000 2.442 194 S HA -0.042 4.427 4.470 -0.001 0.000 0.236 194 S C 1.684 176.396 174.600 0.186 0.000 1.007 194 S CA 0.923 59.263 58.200 0.234 0.000 0.965 194 S CB -0.890 62.563 63.200 0.422 0.000 0.773 194 S HN 0.424 nan 8.310 nan 0.000 0.504 195 V N 2.144 122.170 119.914 0.187 0.000 2.379 195 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 195 V C 2.682 178.858 176.094 0.135 0.000 1.044 195 V CA 1.875 64.287 62.300 0.187 0.000 1.036 195 V CB -0.790 31.149 31.823 0.194 0.000 0.664 195 V HN 0.519 nan 8.190 nan 0.000 0.453 196 E N 0.074 120.330 120.200 0.093 0.000 2.077 196 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 196 E C 2.462 179.097 176.600 0.059 0.000 0.989 196 E CA 1.072 57.512 56.400 0.067 0.000 0.800 196 E CB -0.184 29.540 29.700 0.039 0.000 0.746 196 E HN 0.503 nan 8.360 nan 0.000 0.452 197 R N 0.489 121.024 120.500 0.058 0.000 2.096 197 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 197 R C 2.364 178.696 176.300 0.053 0.000 1.127 197 R CA 1.158 57.289 56.100 0.051 0.000 0.968 197 R CB -0.274 30.060 30.300 0.057 0.000 0.861 197 R HN 0.114 nan 8.270 nan 0.000 0.440 198 A N 0.486 123.349 122.820 0.071 0.000 1.902 198 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 198 A C 2.357 179.962 177.584 0.034 0.000 1.181 198 A CA 1.748 53.815 52.037 0.050 0.000 0.623 198 A CB -1.086 17.959 19.000 0.074 0.000 0.818 198 A HN 0.475 nan 8.150 nan 0.000 0.443 199 G N -0.236 108.603 108.800 0.064 0.000 2.418 199 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.217 199 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.217 199 G C 1.494 176.416 174.900 0.036 0.000 1.158 199 G CA 1.188 46.327 45.100 0.063 0.000 0.771 199 G HN 0.475 nan 8.290 nan 0.000 0.545 200 L N 0.746 121.988 121.223 0.032 0.000 1.994 200 L HA 0.053 4.393 4.340 -0.001 0.000 0.208 200 L C 2.685 179.559 176.870 0.007 0.000 1.071 200 L CA 1.494 56.345 54.840 0.019 0.000 0.745 200 L CB -0.445 41.626 42.059 0.021 0.000 0.892 200 L HN 0.260 nan 8.230 nan 0.000 0.431 201 I N -0.528 120.046 120.570 0.007 0.000 2.315 201 I HA -0.188 3.982 4.170 -0.001 0.000 0.248 201 I C 2.281 178.384 176.117 -0.022 0.000 1.117 201 I CA 1.270 62.568 61.300 -0.003 0.000 1.404 201 I CB -0.888 37.115 38.000 0.005 0.000 1.071 201 I HN 0.437 nan 8.210 nan 0.000 0.419 202 G N -0.160 108.623 108.800 -0.028 0.000 2.679 202 G HA2 0.082 4.042 3.960 -0.001 0.000 0.212 202 G HA3 0.082 4.042 3.960 -0.001 0.000 0.212 202 G C 1.360 176.224 174.900 -0.060 0.000 1.137 202 G CA 0.516 45.582 45.100 -0.057 0.000 0.787 202 G HN 0.578 nan 8.290 nan 0.000 0.534 203 G N -1.144 107.635 108.800 -0.035 0.000 2.176 203 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.252 203 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.252 203 G C 0.244 175.119 174.900 -0.042 0.000 1.024 203 G CA 0.719 45.794 45.100 -0.040 0.000 0.755 203 G HN 1.568 nan 8.290 nan 0.000 0.507 204 V N -4.238 115.671 119.914 -0.008 0.000 3.046 204 V HA 0.882 5.001 4.120 -0.001 0.000 0.316 204 V C 0.243 176.365 176.094 0.047 0.000 1.104 204 V CA -1.941 60.369 62.300 0.016 0.000 1.006 204 V CB 1.677 33.555 31.823 0.092 0.000 1.058 204 V HN 0.250 nan 8.190 nan 0.000 0.440 205 K N 1.922 122.349 120.400 0.044 0.000 2.249 205 K HA 0.629 4.948 4.320 -0.001 0.000 0.280 205 K C -0.898 175.717 176.600 0.025 0.000 1.033 205 K CA -0.301 56.003 56.287 0.028 0.000 0.946 205 K CB 1.316 33.823 32.500 0.011 0.000 1.005 205 K HN 0.635 nan 8.250 nan 0.000 0.469 206 L N 2.538 123.773 121.223 0.020 0.000 2.341 206 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 206 L C -1.303 175.575 176.870 0.012 0.000 1.005 206 L CA -0.158 54.689 54.840 0.012 0.000 0.818 206 L CB 1.221 43.315 42.059 0.059 0.000 1.259 206 L HN 0.459 nan 8.230 nan 0.000 0.418 207 K N 4.179 124.576 120.400 -0.005 0.000 2.324 207 K HA 0.803 5.122 4.320 -0.001 0.000 0.253 207 K C -0.902 175.817 176.600 0.198 0.000 0.932 207 K CA -0.842 55.509 56.287 0.106 0.000 0.799 207 K CB 2.028 34.626 32.500 0.164 0.000 1.154 207 K HN 0.757 nan 8.250 nan 0.000 0.425 208 A N 3.630 126.545 122.820 0.160 0.000 2.354 208 A HA 0.428 4.748 4.320 -0.001 0.000 0.269 208 A C -0.178 177.499 177.584 0.154 0.000 1.109 208 A CA -0.535 51.591 52.037 0.149 0.000 0.800 208 A CB 0.207 19.272 19.000 0.108 0.000 1.045 208 A HN 0.535 nan 8.150 nan 0.000 0.489 209 I N 3.061 123.711 120.570 0.133 0.000 2.336 209 I HA 0.290 4.460 4.170 -0.001 0.000 0.292 209 I C -2.317 173.841 176.117 0.068 0.000 0.991 209 I CA -2.567 58.781 61.300 0.081 0.000 1.227 209 I CB 1.036 39.061 38.000 0.041 0.000 1.366 209 I HN 0.339 nan 8.210 nan 0.000 0.466 210 P HA 0.040 nan 4.420 nan 0.000 0.264 210 P C -0.191 177.132 177.300 0.039 0.000 1.193 210 P CA 0.152 63.279 63.100 0.046 0.000 0.763 210 P CB 0.413 32.130 31.700 0.029 0.000 0.810 211 S N 1.781 117.513 115.700 0.053 0.000 2.652 211 S HA 0.413 4.883 4.470 -0.001 0.000 0.270 211 S C 0.187 174.767 174.600 -0.034 0.000 1.243 211 S CA -0.714 57.511 58.200 0.042 0.000 0.999 211 S CB 0.669 63.939 63.200 0.116 0.000 0.973 211 S HN 0.483 nan 8.310 nan 0.000 0.544 212 D N 0.391 120.760 120.400 -0.053 0.000 2.403 212 D HA 0.282 4.922 4.640 -0.001 0.000 0.278 212 D C 1.646 177.802 176.300 -0.241 0.000 1.230 212 D CA -0.011 53.929 54.000 -0.100 0.000 1.062 212 D CB -0.777 39.994 40.800 -0.049 0.000 1.119 212 D HN 0.568 nan 8.370 nan 0.000 0.557 213 G N -1.173 107.504 108.800 -0.206 0.000 2.448 213 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.219 213 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.219 213 G C 1.113 175.785 174.900 -0.380 0.000 1.127 213 G CA 0.388 45.316 45.100 -0.287 0.000 0.766 213 G HN 0.454 nan 8.290 nan 0.000 0.552 214 K N -0.324 119.963 120.400 -0.188 0.000 2.493 214 K HA 0.288 4.608 4.320 -0.001 0.000 0.207 214 K C -0.258 176.434 176.600 0.153 0.000 1.033 214 K CA -0.687 55.604 56.287 0.007 0.000 1.161 214 K CB -0.009 32.558 32.500 0.111 0.000 0.873 214 K HN 0.236 nan 8.250 nan 0.000 0.491 215 F N -0.121 119.869 119.950 0.067 0.000 3.091 215 F HA -0.318 4.208 4.527 -0.001 0.000 0.288 215 F C 0.277 176.119 175.800 0.069 0.000 0.907 215 F CA 0.281 58.316 58.000 0.059 0.000 1.028 215 F CB -1.975 37.053 39.000 0.047 0.000 1.022 215 F HN 0.095 nan 8.300 nan 0.000 0.665 216 A N 0.592 123.504 122.820 0.153 0.000 2.355 216 A HA 0.800 5.120 4.320 -0.001 0.000 0.324 216 A C -0.079 177.563 177.584 0.097 0.000 1.117 216 A CA -0.749 51.376 52.037 0.147 0.000 0.785 216 A CB 1.248 20.340 19.000 0.153 0.000 1.254 216 A HN 0.352 nan 8.150 nan 0.000 0.453 217 M N 2.534 122.193 119.600 0.098 0.000 2.200 217 M HA 0.353 4.832 4.480 -0.001 0.000 0.355 217 M C -0.468 175.860 176.300 0.046 0.000 1.283 217 M CA 0.015 55.354 55.300 0.065 0.000 1.124 217 M CB 0.297 32.937 32.600 0.067 0.000 1.625 217 M HN 0.672 nan 8.290 nan 0.000 0.463 218 R N 2.971 123.483 120.500 0.020 0.000 2.854 218 R HA 0.550 4.889 4.340 -0.001 0.000 0.271 218 R C 0.519 176.810 176.300 -0.016 0.000 0.996 218 R CA -0.037 56.067 56.100 0.007 0.000 0.961 218 R CB 1.085 31.388 30.300 0.004 0.000 1.182 218 R HN 0.929 nan 8.270 nan 0.000 0.479 219 A N 0.988 123.794 122.820 -0.023 0.000 1.873 219 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 219 A C 2.018 179.577 177.584 -0.042 0.000 1.193 219 A CA 2.703 54.715 52.037 -0.040 0.000 0.629 219 A CB -0.818 18.156 19.000 -0.043 0.000 0.826 219 A HN 0.835 nan 8.150 nan 0.000 0.447 220 S N 0.369 116.051 115.700 -0.031 0.000 2.365 220 S HA -0.115 4.355 4.470 -0.001 0.000 0.225 220 S C 2.108 176.686 174.600 -0.036 0.000 1.039 220 S CA 1.841 60.023 58.200 -0.029 0.000 1.033 220 S CB -0.923 62.265 63.200 -0.020 0.000 0.887 220 S HN 1.097 nan 8.310 nan 0.000 0.447 221 A N 1.476 124.275 122.820 -0.034 0.000 1.930 221 A HA 0.160 4.480 4.320 -0.001 0.000 0.217 221 A C 2.239 179.778 177.584 -0.075 0.000 1.175 221 A CA 1.419 53.433 52.037 -0.038 0.000 0.627 221 A CB -0.781 18.207 19.000 -0.021 0.000 0.815 221 A HN 0.532 nan 8.150 nan 0.000 0.443 222 L N -0.403 120.764 121.223 -0.093 0.000 2.027 222 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 222 L C 2.390 179.150 176.870 -0.184 0.000 1.074 222 L CA 2.541 57.278 54.840 -0.171 0.000 0.745 222 L CB -0.957 41.020 42.059 -0.138 0.000 0.898 222 L HN 0.486 nan 8.230 nan 0.000 0.433 223 Q N -0.467 119.266 119.800 -0.111 0.000 2.096 223 Q HA -0.284 4.056 4.340 -0.001 0.000 0.204 223 Q C 2.261 178.218 176.000 -0.072 0.000 0.982 223 Q CA 2.247 58.000 55.803 -0.083 0.000 0.850 223 Q CB -0.203 28.503 28.738 -0.053 0.000 0.901 223 Q HN 0.669 nan 8.270 nan 0.000 0.422 224 E N -0.730 119.433 120.200 -0.062 0.000 2.058 224 E HA -0.258 4.092 4.350 -0.001 0.000 0.194 224 E C 1.765 178.338 176.600 -0.044 0.000 0.997 224 E CA 1.113 57.489 56.400 -0.039 0.000 0.801 224 E CB -0.148 29.535 29.700 -0.028 0.000 0.746 224 E HN 0.437 nan 8.360 nan 0.000 0.450 225 A N 1.071 123.836 122.820 -0.091 0.000 1.902 225 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 225 A C 2.237 179.773 177.584 -0.080 0.000 1.181 225 A CA 1.120 53.101 52.037 -0.094 0.000 0.623 225 A CB -0.675 18.188 19.000 -0.227 0.000 0.818 225 A HN 0.304 nan 8.150 nan 0.000 0.443 226 L N -0.751 120.372 121.223 -0.167 0.000 2.012 226 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 226 L C 2.679 179.567 176.870 0.029 0.000 1.073 226 L CA 1.948 56.756 54.840 -0.052 0.000 0.748 226 L CB -0.697 41.319 42.059 -0.072 0.000 0.891 226 L HN 0.491 nan 8.230 nan 0.000 0.431 227 E N -0.432 119.771 120.200 0.005 0.000 2.051 227 E HA -0.256 4.094 4.350 -0.001 0.000 0.192 227 E C 2.336 178.959 176.600 0.038 0.000 0.991 227 E CA 0.944 57.357 56.400 0.022 0.000 0.799 227 E CB -0.141 29.564 29.700 0.008 0.000 0.748 227 E HN 0.283 nan 8.360 nan 0.000 0.449 228 R N 1.226 121.750 120.500 0.039 0.000 2.081 228 R HA -0.183 4.157 4.340 -0.001 0.000 0.235 228 R C 1.231 177.576 176.300 0.075 0.000 1.131 228 R CA 1.855 57.986 56.100 0.051 0.000 0.960 228 R CB -0.221 30.109 30.300 0.051 0.000 0.856 228 R HN 0.141 nan 8.270 nan 0.000 0.436 229 D N 0.567 121.034 120.400 0.111 0.000 2.149 229 D HA -0.077 4.562 4.640 -0.001 0.000 0.201 229 D C 1.863 178.232 176.300 0.114 0.000 0.972 229 D CA 0.991 55.074 54.000 0.139 0.000 0.835 229 D CB -0.013 40.932 40.800 0.241 0.000 0.966 229 D HN 0.312 nan 8.370 nan 0.000 0.476 230 K N 0.826 121.290 120.400 0.106 0.000 2.057 230 K HA -0.021 4.299 4.320 -0.001 0.000 0.206 230 K C 2.140 178.777 176.600 0.062 0.000 1.050 230 K CA 0.991 57.330 56.287 0.086 0.000 0.935 230 K CB -0.043 32.502 32.500 0.076 0.000 0.715 230 K HN -0.010 nan 8.250 nan 0.000 0.439 231 A N 1.420 124.272 122.820 0.054 0.000 1.978 231 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 231 A C 2.181 179.790 177.584 0.042 0.000 1.170 231 A CA 1.831 53.893 52.037 0.042 0.000 0.636 231 A CB -0.480 18.542 19.000 0.037 0.000 0.810 231 A HN 0.336 nan 8.150 nan 0.000 0.448 232 A N -1.915 120.935 122.820 0.050 0.000 2.238 232 A HA 0.420 4.740 4.320 -0.001 0.000 0.208 232 A C 1.708 179.318 177.584 0.042 0.000 1.177 232 A CA 1.136 53.200 52.037 0.045 0.000 0.804 232 A CB -0.913 18.118 19.000 0.051 0.000 0.823 232 A HN 1.884 nan 8.150 nan 0.000 0.482 233 G N -1.343 107.485 108.800 0.046 0.000 2.141 233 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.242 233 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.242 233 G C 0.062 174.990 174.900 0.046 0.000 0.982 233 G CA 0.290 45.415 45.100 0.041 0.000 0.662 233 G HN 0.413 nan 8.290 nan 0.000 0.527 234 L N -0.024 121.237 121.223 0.063 0.000 2.399 234 L HA 0.680 5.019 4.340 -0.001 0.000 0.265 234 L C 0.759 177.686 176.870 0.095 0.000 1.089 234 L CA -0.950 53.933 54.840 0.072 0.000 0.802 234 L CB 1.292 43.402 42.059 0.086 0.000 1.180 234 L HN 0.044 nan 8.230 nan 0.000 0.454 235 I N 2.515 123.146 120.570 0.102 0.000 2.390 235 I HA 0.276 4.446 4.170 -0.001 0.000 0.283 235 I C -2.311 173.940 176.117 0.224 0.000 1.016 235 I CA -1.936 59.446 61.300 0.137 0.000 1.151 235 I CB 1.681 39.738 38.000 0.095 0.000 1.293 235 I HN 0.223 nan 8.210 nan 0.000 0.458 236 P HA 0.038 nan 4.420 nan 0.000 0.267 236 P C -0.068 177.466 177.300 0.391 0.000 1.205 236 P CA 0.244 63.556 63.100 0.353 0.000 0.765 236 P CB 0.254 32.207 31.700 0.423 0.000 0.828 237 F N 2.114 122.182 119.950 0.197 0.000 2.880 237 F HA 0.546 5.072 4.527 -0.001 0.000 0.346 237 F C -0.655 175.384 175.800 0.398 0.000 1.054 237 F CA -0.505 57.635 58.000 0.234 0.000 1.151 237 F CB 0.461 39.545 39.000 0.139 0.000 1.066 237 F HN 0.111 nan 8.300 nan 0.000 0.566 238 F N 1.702 121.268 119.950 -0.640 0.000 2.604 238 F HA 0.675 5.201 4.527 -0.001 0.000 0.316 238 F C -2.045 173.671 175.800 -0.140 0.000 1.136 238 F CA -1.051 56.641 58.000 -0.513 0.000 0.989 238 F CB 1.989 40.236 39.000 -1.254 0.000 1.258 238 F HN -0.231 nan 8.300 nan 0.000 0.451 239 V N 6.149 125.833 119.914 -0.384 0.000 2.588 239 V HA 0.527 4.646 4.120 -0.001 0.000 0.304 239 V C -1.025 174.805 176.094 -0.440 0.000 1.042 239 V CA -0.845 61.306 62.300 -0.249 0.000 0.877 239 V CB 1.930 33.751 31.823 -0.002 0.000 0.996 239 V HN 0.572 nan 8.190 nan 0.000 0.425 240 V N 4.159 123.908 119.914 -0.275 0.000 2.347 240 V HA 0.715 4.835 4.120 -0.001 0.000 0.280 240 V C 0.436 176.546 176.094 0.026 0.000 1.021 240 V CA -0.457 61.777 62.300 -0.111 0.000 0.847 240 V CB 1.528 33.363 31.823 0.019 0.000 0.990 240 V HN 0.981 nan 8.190 nan 0.000 0.444 241 A N 3.893 126.744 122.820 0.052 0.000 2.290 241 A HA 0.747 5.067 4.320 -0.001 0.000 0.310 241 A C 0.248 177.903 177.584 0.120 0.000 1.202 241 A CA -0.337 51.754 52.037 0.091 0.000 0.837 241 A CB 0.608 19.667 19.000 0.099 0.000 1.139 241 A HN 0.700 nan 8.150 nan 0.000 0.509 242 T N 3.100 117.737 114.554 0.138 0.000 2.771 242 T HA 0.485 4.834 4.350 -0.001 0.000 0.281 242 T C -0.735 174.070 174.700 0.175 0.000 0.982 242 T CA -0.167 62.024 62.100 0.152 0.000 0.978 242 T CB 0.624 69.576 68.868 0.140 0.000 0.930 242 T HN 0.316 nan 8.240 nan 0.000 0.447 243 L N 3.378 124.735 121.223 0.223 0.000 2.301 243 L HA 0.620 4.960 4.340 -0.001 0.000 0.278 243 L C 0.866 177.800 176.870 0.107 0.000 1.022 243 L CA 0.173 55.217 54.840 0.340 0.000 0.854 243 L CB 0.456 42.871 42.059 0.593 0.000 1.226 243 L HN 1.022 nan 8.230 nan 0.000 0.429 244 G N 1.319 109.896 108.800 -0.371 0.000 2.842 244 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.242 244 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.242 244 G C 0.168 175.052 174.900 -0.026 0.000 1.135 244 G CA -0.162 44.724 45.100 -0.355 0.000 1.048 244 G HN 0.782 nan 8.290 nan 0.000 0.530 245 T N -1.526 112.993 114.554 -0.059 0.000 2.903 245 T HA 0.441 4.790 4.350 -0.001 0.000 0.314 245 T C 1.785 176.568 174.700 0.138 0.000 1.078 245 T CA 0.913 63.053 62.100 0.067 0.000 1.114 245 T CB 1.198 70.079 68.868 0.022 0.000 0.987 245 T HN 0.438 nan 8.240 nan 0.000 0.548 246 T N 2.074 116.706 114.554 0.129 0.000 2.746 246 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 246 T C 2.430 176.978 174.700 -0.254 0.000 1.039 246 T CA 1.651 63.712 62.100 -0.064 0.000 1.142 246 T CB -0.650 68.228 68.868 0.018 0.000 0.866 246 T HN 0.907 nan 8.240 nan 0.000 0.444 247 S N 1.596 117.195 115.700 -0.169 0.000 2.343 247 S HA -0.140 4.329 4.470 -0.001 0.000 0.219 247 S C 2.143 176.583 174.600 -0.267 0.000 1.033 247 S CA 1.332 59.386 58.200 -0.242 0.000 1.014 247 S CB -0.920 62.134 63.200 -0.243 0.000 0.915 247 S HN 0.796 nan 8.310 nan 0.000 0.435 248 C N -1.822 117.342 119.300 -0.226 0.000 3.365 248 C HA 0.674 5.134 4.460 -0.001 0.000 0.266 248 C C 0.890 175.837 174.990 -0.070 0.000 1.631 248 C CA -0.986 57.923 59.018 -0.181 0.000 1.789 248 C CB -1.402 26.163 27.740 -0.291 0.000 3.088 248 C HN 0.926 nan 8.230 nan 0.000 0.547 249 C N 3.444 122.722 119.300 -0.036 0.000 3.899 249 C HA -0.081 4.379 4.460 -0.001 0.000 0.297 249 C C 0.916 175.744 174.990 -0.270 0.000 1.371 249 C CA 0.971 59.950 59.018 -0.065 0.000 2.088 249 C CB -2.857 24.925 27.740 0.069 0.000 1.346 249 C HN 1.086 nan 8.230 nan 0.000 0.658 250 S N 0.685 116.254 115.700 -0.219 0.000 2.707 250 S HA 0.883 5.352 4.470 -0.001 0.000 0.276 250 S C -0.725 173.638 174.600 -0.394 0.000 1.179 250 S CA -0.500 57.636 58.200 -0.106 0.000 0.992 250 S CB 1.172 64.466 63.200 0.157 0.000 1.030 250 S HN 0.580 nan 8.310 nan 0.000 0.554 251 F N 0.153 120.211 119.950 0.180 0.000 2.507 251 F HA 0.397 4.924 4.527 -0.001 0.000 0.328 251 F C -0.007 175.875 175.800 0.137 0.000 1.136 251 F CA -1.001 57.097 58.000 0.164 0.000 0.930 251 F CB 1.285 40.378 39.000 0.156 0.000 1.166 251 F HN 0.437 nan 8.300 nan 0.000 0.436 252 D N 1.377 121.937 120.400 0.267 0.000 2.382 252 D HA -0.034 4.606 4.640 -0.001 0.000 0.240 252 D C 0.011 176.417 176.300 0.177 0.000 1.146 252 D CA 0.142 54.254 54.000 0.188 0.000 0.897 252 D CB 0.732 41.620 40.800 0.148 0.000 1.197 252 D HN 0.335 nan 8.370 nan 0.000 0.432 253 N N 2.252 121.024 118.700 0.121 0.000 2.555 253 N HA -0.005 4.735 4.740 -0.001 0.000 0.244 253 N C 0.747 176.294 175.510 0.061 0.000 1.114 253 N CA -0.313 52.790 53.050 0.087 0.000 0.963 253 N CB 0.415 38.939 38.487 0.062 0.000 1.276 253 N HN 0.203 nan 8.380 nan 0.000 0.510 254 L N 3.848 125.114 121.223 0.071 0.000 2.083 254 L HA -0.033 4.307 4.340 -0.001 0.000 0.209 254 L C 2.072 178.971 176.870 0.050 0.000 1.083 254 L CA 1.287 56.170 54.840 0.071 0.000 0.752 254 L CB -0.358 41.751 42.059 0.083 0.000 0.899 254 L HN 0.600 nan 8.230 nan 0.000 0.433 255 L N -1.278 119.973 121.223 0.046 0.000 2.201 255 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 255 L C 2.277 179.104 176.870 -0.071 0.000 1.105 255 L CA 1.048 55.908 54.840 0.033 0.000 0.775 255 L CB -0.317 41.771 42.059 0.049 0.000 0.913 255 L HN 0.385 nan 8.230 nan 0.000 0.440 256 E N -0.823 119.345 120.200 -0.054 0.000 2.075 256 E HA -0.087 4.263 4.350 -0.001 0.000 0.190 256 E C 2.263 178.794 176.600 -0.115 0.000 0.969 256 E CA 0.629 56.982 56.400 -0.078 0.000 0.815 256 E CB 0.126 29.805 29.700 -0.035 0.000 0.776 256 E HN 0.206 nan 8.360 nan 0.000 0.457 257 V N 1.274 121.140 119.914 -0.081 0.000 2.548 257 V HA -0.135 3.985 4.120 -0.001 0.000 0.249 257 V C 2.298 178.314 176.094 -0.129 0.000 1.055 257 V CA 1.843 64.099 62.300 -0.074 0.000 1.065 257 V CB -0.835 30.980 31.823 -0.014 0.000 0.681 257 V HN 0.368 nan 8.190 nan 0.000 0.462 258 G N 0.871 109.545 108.800 -0.210 0.000 2.514 258 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 258 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 258 G C -0.188 174.340 174.900 -0.620 0.000 1.198 258 G CA 1.238 46.122 45.100 -0.359 0.000 0.780 258 G HN 0.485 nan 8.290 nan 0.000 0.565 259 P HA -0.071 nan 4.420 nan 0.000 0.216 259 P C 1.938 179.136 177.300 -0.170 0.000 1.153 259 P CA 0.849 63.614 63.100 -0.558 0.000 0.858 259 P CB -0.076 31.356 31.700 -0.448 0.000 0.789 260 I N -1.316 119.163 120.570 -0.152 0.000 2.179 260 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 260 I C 2.206 178.315 176.117 -0.014 0.000 1.088 260 I CA 1.444 62.706 61.300 -0.064 0.000 1.357 260 I CB -0.866 37.093 38.000 -0.068 0.000 1.051 260 I HN 0.041 nan 8.210 nan 0.000 0.409 261 C N -0.243 119.055 119.300 -0.003 0.000 2.422 261 C HA -0.195 4.265 4.460 -0.001 0.000 0.279 261 C C 2.808 177.853 174.990 0.091 0.000 1.305 261 C CA 1.109 60.162 59.018 0.059 0.000 1.757 261 C CB -1.401 26.385 27.740 0.077 0.000 1.962 261 C HN 0.549 nan 8.230 nan 0.000 0.499 262 H N 1.032 120.110 119.070 0.012 0.000 2.326 262 H HA -0.112 4.443 4.556 -0.001 0.000 0.301 262 H C 2.222 177.577 175.328 0.044 0.000 1.081 262 H CA 2.149 58.231 56.048 0.057 0.000 1.334 262 H CB -0.275 29.550 29.762 0.106 0.000 1.385 262 H HN 0.515 nan 8.280 nan 0.000 0.504 263 E N -0.192 120.002 120.200 -0.009 0.000 2.110 263 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 263 E C 1.245 177.818 176.600 -0.046 0.000 0.988 263 E CA 1.156 57.529 56.400 -0.046 0.000 0.804 263 E CB 0.179 29.887 29.700 0.013 0.000 0.745 263 E HN 0.542 nan 8.360 nan 0.000 0.458 264 E N 0.645 120.841 120.200 -0.007 0.000 2.489 264 E HA -0.058 4.292 4.350 -0.001 0.000 0.193 264 E C -0.179 176.447 176.600 0.043 0.000 1.057 264 E CA 0.360 56.776 56.400 0.027 0.000 0.866 264 E CB 0.027 29.761 29.700 0.056 0.000 0.916 264 E HN 0.249 nan 8.360 nan 0.000 0.500 265 D N 0.621 121.023 120.400 0.003 0.000 2.697 265 D HA -0.196 4.443 4.640 -0.001 0.000 0.238 265 D C -0.919 175.462 176.300 0.135 0.000 1.152 265 D CA 0.356 54.375 54.000 0.032 0.000 0.666 265 D CB -1.398 39.418 40.800 0.026 0.000 1.037 265 D HN 0.207 nan 8.370 nan 0.000 0.423 266 I N 0.776 121.438 120.570 0.154 0.000 2.392 266 I HA 0.219 4.388 4.170 -0.001 0.000 0.295 266 I C 0.607 176.896 176.117 0.287 0.000 0.985 266 I CA -1.019 60.420 61.300 0.233 0.000 1.221 266 I CB 1.082 39.198 38.000 0.193 0.000 1.366 266 I HN 0.172 nan 8.210 nan 0.000 0.467 267 W N 7.996 129.412 121.300 0.194 0.000 2.381 267 W HA 0.166 4.826 4.660 -0.001 0.000 0.321 267 W C -1.338 175.277 176.519 0.159 0.000 1.407 267 W CA -0.478 57.013 57.345 0.243 0.000 1.274 267 W CB 0.868 30.559 29.460 0.384 0.000 1.310 267 W HN 0.247 nan 8.180 nan 0.000 0.551 268 L N 7.923 129.264 121.223 0.196 0.000 2.276 268 L HA 0.246 4.585 4.340 -0.001 0.000 0.286 268 L C -0.872 176.190 176.870 0.319 0.000 1.024 268 L CA -0.429 54.529 54.840 0.196 0.000 0.826 268 L CB 0.686 42.825 42.059 0.133 0.000 1.211 268 L HN 0.440 nan 8.230 nan 0.000 0.422 269 H N 3.640 122.849 119.070 0.231 0.000 2.467 269 H HA 0.632 5.188 4.556 -0.001 0.000 0.326 269 H C -1.278 174.184 175.328 0.225 0.000 1.094 269 H CA -0.570 55.685 56.048 0.345 0.000 1.253 269 H CB 1.471 31.447 29.762 0.357 0.000 1.439 269 H HN 0.414 nan 8.280 nan 0.000 0.479 270 V N 5.549 125.296 119.914 -0.278 0.000 2.347 270 V HA 0.123 4.242 4.120 -0.001 0.000 0.280 270 V C -0.211 175.689 176.094 -0.323 0.000 1.021 270 V CA -0.770 61.464 62.300 -0.110 0.000 0.847 270 V CB 1.073 33.051 31.823 0.258 0.000 0.990 270 V HN 0.827 nan 8.190 nan 0.000 0.444 271 D N 4.853 125.186 120.400 -0.111 0.000 2.396 271 D HA 0.523 5.162 4.640 -0.001 0.000 0.225 271 D C 0.287 176.651 176.300 0.107 0.000 1.121 271 D CA -0.316 53.692 54.000 0.014 0.000 0.853 271 D CB 1.634 42.531 40.800 0.161 0.000 1.043 271 D HN 0.607 nan 8.370 nan 0.000 0.500 272 A N 3.587 126.460 122.820 0.089 0.000 2.749 272 A HA 0.575 4.894 4.320 -0.001 0.000 0.299 272 A C 1.612 179.287 177.584 0.152 0.000 1.105 272 A CA 0.297 52.446 52.037 0.186 0.000 0.987 272 A CB -0.032 19.193 19.000 0.374 0.000 1.180 272 A HN 0.579 nan 8.150 nan 0.000 0.528 273 A N 0.136 123.037 122.820 0.135 0.000 1.893 273 A HA -0.277 4.042 4.320 -0.001 0.000 0.222 273 A C 1.937 179.633 177.584 0.186 0.000 1.309 273 A CA 2.414 54.536 52.037 0.141 0.000 0.681 273 A CB -0.940 18.128 19.000 0.114 0.000 0.842 273 A HN 1.148 nan 8.150 nan 0.000 0.468 274 Y N -0.510 119.752 120.300 -0.063 0.000 2.190 274 Y HA 0.288 4.838 4.550 -0.001 0.000 0.290 274 Y C 2.695 178.529 175.900 -0.111 0.000 1.115 274 Y CA 1.007 58.960 58.100 -0.245 0.000 1.107 274 Y CB -0.850 36.988 38.460 -1.037 0.000 1.033 274 Y HN 0.295 nan 8.280 nan 0.000 0.502 275 A N 0.710 123.300 122.820 -0.383 0.000 2.024 275 A HA -0.121 4.198 4.320 -0.001 0.000 0.220 275 A C 2.417 179.501 177.584 -0.833 0.000 1.164 275 A CA 1.680 53.427 52.037 -0.482 0.000 0.643 275 A CB -1.843 17.142 19.000 -0.026 0.000 0.806 275 A HN 0.687 nan 8.150 nan 0.000 0.451 276 G N -0.416 108.012 108.800 -0.621 0.000 2.503 276 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.221 276 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.221 276 G C 1.778 175.946 174.900 -1.220 0.000 1.131 276 G CA 1.418 45.957 45.100 -0.935 0.000 0.756 276 G HN 0.515 nan 8.290 nan 0.000 0.572 277 S N 0.898 116.185 115.700 -0.688 0.000 2.399 277 S HA 0.011 4.481 4.470 -0.001 0.000 0.231 277 S C 2.715 176.988 174.600 -0.546 0.000 1.022 277 S CA 1.081 59.019 58.200 -0.437 0.000 0.983 277 S CB -0.305 62.856 63.200 -0.066 0.000 0.803 277 S HN 0.636 nan 8.310 nan 0.000 0.480 278 A N 0.817 123.230 122.820 -0.677 0.000 2.067 278 A HA 0.043 4.363 4.320 -0.001 0.000 0.219 278 A C 1.640 179.166 177.584 -0.097 0.000 1.158 278 A CA 0.831 52.564 52.037 -0.506 0.000 0.661 278 A CB -0.911 17.769 19.000 -0.533 0.000 0.801 278 A HN 0.602 nan 8.150 nan 0.000 0.452 279 F N 0.377 120.234 119.950 -0.156 0.000 2.722 279 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 279 F C 1.883 177.603 175.800 -0.133 0.000 1.175 279 F CA 0.494 58.415 58.000 -0.131 0.000 1.462 279 F CB -0.382 38.493 39.000 -0.209 0.000 1.111 279 F HN 0.394 nan 8.300 nan 0.000 0.592 280 I N -2.738 117.834 120.570 0.004 0.000 3.428 280 I HA 0.052 4.222 4.170 -0.001 0.000 0.286 280 I C 0.273 176.385 176.117 -0.009 0.000 1.287 280 I CA -0.005 61.277 61.300 -0.030 0.000 1.396 280 I CB -0.735 37.224 38.000 -0.069 0.000 1.062 280 I HN -0.086 nan 8.210 nan 0.000 0.471 281 C N 4.490 123.821 119.300 0.050 0.000 2.285 281 C HA 0.344 4.803 4.460 -0.001 0.000 0.335 281 C C -0.432 174.559 174.990 0.002 0.000 1.267 281 C CA -0.931 58.108 59.018 0.035 0.000 1.762 281 C CB 0.772 28.586 27.740 0.124 0.000 2.365 281 C HN 0.336 nan 8.230 nan 0.000 0.527 282 P HA -0.222 nan 4.420 nan 0.000 0.217 282 P C 1.291 178.534 177.300 -0.095 0.000 1.148 282 P CA 1.664 64.724 63.100 -0.067 0.000 0.828 282 P CB 0.105 31.759 31.700 -0.076 0.000 0.783 283 E N -0.274 119.790 120.200 -0.227 0.000 2.409 283 E HA -0.129 4.220 4.350 -0.001 0.000 0.198 283 E C 1.223 177.630 176.600 -0.321 0.000 1.024 283 E CA 0.867 57.059 56.400 -0.348 0.000 0.861 283 E CB -0.874 28.488 29.700 -0.562 0.000 0.788 283 E HN 0.363 nan 8.360 nan 0.000 0.521 284 F N -0.049 119.965 119.950 0.107 0.000 2.724 284 F HA 0.292 4.819 4.527 -0.001 0.000 0.306 284 F C 2.194 177.928 175.800 -0.109 0.000 1.100 284 F CA -0.705 57.328 58.000 0.054 0.000 1.255 284 F CB 0.395 39.468 39.000 0.120 0.000 1.072 284 F HN -0.071 nan 8.300 nan 0.000 0.589 285 R N 1.281 121.821 120.500 0.068 0.000 2.159 285 R HA -0.201 4.139 4.340 -0.001 0.000 0.237 285 R C 2.302 178.413 176.300 -0.315 0.000 1.131 285 R CA 2.078 58.088 56.100 -0.151 0.000 0.982 285 R CB -1.146 29.098 30.300 -0.094 0.000 0.868 285 R HN 0.465 nan 8.270 nan 0.000 0.453 286 H N -0.379 118.586 119.070 -0.175 0.000 2.456 286 H HA -0.094 4.462 4.556 -0.001 0.000 0.296 286 H C 1.706 176.890 175.328 -0.241 0.000 1.079 286 H CA 1.467 57.405 56.048 -0.182 0.000 1.322 286 H CB -0.551 29.139 29.762 -0.120 0.000 1.388 286 H HN 0.302 nan 8.280 nan 0.000 0.538 287 L N 0.201 120.859 121.223 -0.942 0.000 2.265 287 L HA -0.115 4.225 4.340 -0.001 0.000 0.215 287 L C 2.276 178.776 176.870 -0.617 0.000 1.117 287 L CA 0.444 54.843 54.840 -0.735 0.000 0.782 287 L CB -0.213 41.381 42.059 -0.777 0.000 0.914 287 L HN 0.203 nan 8.230 nan 0.000 0.441 288 L N -0.724 119.979 121.223 -0.865 0.000 2.592 288 L HA 0.216 4.555 4.340 -0.001 0.000 0.227 288 L C 0.677 177.296 176.870 -0.419 0.000 1.127 288 L CA 0.248 54.615 54.840 -0.789 0.000 0.884 288 L CB -0.508 40.830 42.059 -1.202 0.000 1.065 288 L HN 0.111 nan 8.230 nan 0.000 0.457 289 N N 1.165 119.685 118.700 -0.299 0.000 2.356 289 N HA 0.291 5.030 4.740 -0.001 0.000 0.252 289 N C 1.258 176.728 175.510 -0.067 0.000 1.241 289 N CA 1.225 54.180 53.050 -0.158 0.000 0.861 289 N CB 0.506 38.942 38.487 -0.085 0.000 1.075 289 N HN 0.371 nan 8.380 nan 0.000 0.461 290 G N -0.047 108.744 108.800 -0.015 0.000 2.179 290 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.220 290 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.220 290 G C 0.793 175.775 174.900 0.137 0.000 0.990 290 G CA 0.158 45.359 45.100 0.169 0.000 0.646 290 G HN 0.515 nan 8.290 nan 0.000 0.517 291 V N 0.902 120.791 119.914 -0.042 0.000 2.913 291 V HA 0.018 4.137 4.120 -0.001 0.000 0.260 291 V C 2.403 178.542 176.094 0.076 0.000 1.098 291 V CA 2.925 65.194 62.300 -0.051 0.000 1.121 291 V CB -0.169 31.439 31.823 -0.358 0.000 0.714 291 V HN 0.568 nan 8.190 nan 0.000 0.487 292 E N -0.049 120.114 120.200 -0.062 0.000 2.265 292 E HA -0.158 4.191 4.350 -0.001 0.000 0.196 292 E C 1.579 178.019 176.600 -0.267 0.000 0.996 292 E CA 1.352 57.645 56.400 -0.179 0.000 0.832 292 E CB -0.352 29.088 29.700 -0.433 0.000 0.756 292 E HN 0.736 nan 8.360 nan 0.000 0.491 293 F N 0.553 120.516 119.950 0.021 0.000 2.743 293 F HA 0.277 4.804 4.527 -0.001 0.000 0.297 293 F C 1.146 176.980 175.800 0.057 0.000 1.131 293 F CA -0.060 57.944 58.000 0.007 0.000 1.426 293 F CB -0.200 38.802 39.000 0.004 0.000 1.116 293 F HN -0.120 nan 8.300 nan 0.000 0.583 294 A N 0.247 123.237 122.820 0.284 0.000 2.371 294 A HA 0.135 4.455 4.320 -0.001 0.000 0.257 294 A C 1.089 178.810 177.584 0.230 0.000 1.089 294 A CA -0.255 51.949 52.037 0.279 0.000 0.794 294 A CB 0.176 19.378 19.000 0.336 0.000 1.029 294 A HN 0.254 nan 8.150 nan 0.000 0.488 295 D N -0.010 120.397 120.400 0.012 0.000 2.271 295 D HA 0.037 4.677 4.640 -0.001 0.000 0.206 295 D C 0.287 176.671 176.300 0.140 0.000 0.967 295 D CA 1.563 55.391 54.000 -0.287 0.000 0.867 295 D CB 0.235 40.258 40.800 -1.296 0.000 0.960 295 D HN 0.614 nan 8.370 nan 0.000 0.509 296 S N -0.283 115.706 115.700 0.482 0.000 2.536 296 S HA 0.558 5.028 4.470 -0.001 0.000 0.271 296 S C -1.103 173.874 174.600 0.628 0.000 1.134 296 S CA -1.002 57.655 58.200 0.762 0.000 0.897 296 S CB 2.247 66.073 63.200 1.044 0.000 1.094 296 S HN 0.053 nan 8.310 nan 0.000 0.473 297 F N 2.346 122.523 119.950 0.379 0.000 2.556 297 F HA 0.706 5.233 4.527 -0.001 0.000 0.314 297 F C -0.900 175.137 175.800 0.395 0.000 1.106 297 F CA -0.633 57.465 58.000 0.162 0.000 0.911 297 F CB 1.735 40.627 39.000 -0.180 0.000 1.190 297 F HN 0.917 nan 8.300 nan 0.000 0.448 298 N N 5.623 123.976 118.700 -0.577 0.000 2.308 298 N HA 0.579 5.318 4.740 -0.001 0.000 0.283 298 N C -2.038 173.255 175.510 -0.360 0.000 1.105 298 N CA -0.341 52.542 53.050 -0.279 0.000 0.840 298 N CB 2.631 41.187 38.487 0.114 0.000 1.633 298 N HN 0.659 nan 8.380 nan 0.000 0.476 299 F N 0.781 120.544 119.950 -0.310 0.000 2.713 299 F HA 0.540 5.067 4.527 -0.001 0.000 0.311 299 F C -1.927 173.805 175.800 -0.114 0.000 1.141 299 F CA -0.992 56.903 58.000 -0.176 0.000 0.939 299 F CB 1.075 40.005 39.000 -0.118 0.000 1.325 299 F HN 0.190 nan 8.300 nan 0.000 0.453 300 N N 3.316 121.883 118.700 -0.221 0.000 2.501 300 N HA 0.341 5.080 4.740 -0.001 0.000 0.245 300 N C -2.398 172.898 175.510 -0.357 0.000 0.974 300 N CA -2.031 50.724 53.050 -0.492 0.000 0.941 300 N CB 1.713 39.968 38.487 -0.386 0.000 1.122 300 N HN 0.402 nan 8.380 nan 0.000 0.507 301 P HA -0.095 nan 4.420 nan 0.000 0.223 301 P C 0.862 178.190 177.300 0.048 0.000 1.151 301 P CA 1.036 64.061 63.100 -0.126 0.000 0.787 301 P CB -0.016 31.590 31.700 -0.156 0.000 0.788 302 H N -2.274 116.793 119.070 -0.005 0.000 2.553 302 H HA 0.228 4.784 4.556 -0.001 0.000 0.269 302 H C 1.235 176.680 175.328 0.196 0.000 1.011 302 H CA 0.147 56.239 56.048 0.075 0.000 1.150 302 H CB 0.052 29.831 29.762 0.028 0.000 1.339 302 H HN 0.125 nan 8.280 nan 0.000 0.604 303 K N 0.039 120.699 120.400 0.432 0.000 2.230 303 K HA -0.013 4.306 4.320 -0.001 0.000 0.219 303 K C 0.480 177.415 176.600 0.557 0.000 1.033 303 K CA 0.158 56.736 56.287 0.486 0.000 0.937 303 K CB 0.319 33.093 32.500 0.456 0.000 1.018 303 K HN 0.232 nan 8.250 nan 0.000 0.463 304 W N 1.229 122.705 121.300 0.293 0.000 2.693 304 W HA 0.351 5.011 4.660 -0.001 0.000 0.415 304 W C -0.228 176.482 176.519 0.318 0.000 0.932 304 W CA -0.367 57.164 57.345 0.311 0.000 2.200 304 W CB 0.275 29.798 29.460 0.106 0.000 1.188 304 W HN -0.010 nan 8.180 nan 0.000 0.665 305 L N 1.266 122.691 121.223 0.337 0.000 3.358 305 L HA 0.146 4.486 4.340 -0.001 0.000 0.301 305 L C 0.734 177.586 176.870 -0.030 0.000 1.276 305 L CA -0.119 54.810 54.840 0.150 0.000 1.028 305 L CB -0.059 42.177 42.059 0.295 0.000 1.421 305 L HN -0.023 nan 8.230 nan 0.000 0.604 306 L N -0.787 120.386 121.223 -0.084 0.000 4.429 306 L HA -0.213 4.127 4.340 -0.001 0.000 0.422 306 L C -0.104 176.712 176.870 -0.091 0.000 1.149 306 L CA 0.036 54.755 54.840 -0.201 0.000 0.972 306 L CB -1.720 40.000 42.059 -0.565 0.000 2.059 306 L HN 0.024 nan 8.230 nan 0.000 0.870 307 V N 0.910 120.816 119.914 -0.013 0.000 2.304 307 V HA 0.255 4.374 4.120 -0.001 0.000 0.269 307 V C 0.692 176.796 176.094 0.016 0.000 1.036 307 V CA -0.730 61.548 62.300 -0.037 0.000 0.840 307 V CB 1.163 32.940 31.823 -0.078 0.000 1.036 307 V HN 0.253 nan 8.190 nan 0.000 0.466 308 N N 3.193 121.888 118.700 -0.007 0.000 2.151 308 N HA -0.112 4.627 4.740 -0.001 0.000 0.265 308 N C -0.229 175.314 175.510 0.056 0.000 1.254 308 N CA 0.324 53.385 53.050 0.019 0.000 0.823 308 N CB -0.017 38.455 38.487 -0.025 0.000 1.061 308 N HN 0.615 nan 8.380 nan 0.000 0.472 309 F N 2.095 121.987 119.950 -0.096 0.000 2.623 309 F HA -0.046 4.481 4.527 -0.001 0.000 0.381 309 F C 0.918 176.634 175.800 -0.141 0.000 1.081 309 F CA 0.841 58.707 58.000 -0.223 0.000 1.293 309 F CB 0.255 38.996 39.000 -0.432 0.000 1.006 309 F HN 0.652 nan 8.300 nan 0.000 0.578 310 D N 3.785 123.577 120.400 -1.012 0.000 2.712 310 D HA -0.174 4.466 4.640 -0.001 0.000 0.149 310 D C -1.496 174.591 176.300 -0.355 0.000 0.985 310 D CA 0.320 53.828 54.000 -0.820 0.000 0.854 310 D CB -1.365 39.201 40.800 -0.389 0.000 0.834 310 D HN 0.764 nan 8.370 nan 0.000 0.429 311 C N 1.989 121.207 119.300 -0.135 0.000 3.212 311 C HA 0.612 5.071 4.460 -0.001 0.000 0.367 311 C C -0.629 174.100 174.990 -0.435 0.000 0.979 311 C CA -0.034 58.852 59.018 -0.221 0.000 1.283 311 C CB -0.095 27.533 27.740 -0.186 0.000 1.644 311 C HN 0.425 nan 8.230 nan 0.000 0.575 312 S N 3.172 118.600 115.700 -0.453 0.000 2.475 312 S HA 0.860 5.330 4.470 -0.001 0.000 0.298 312 S C -0.064 174.267 174.600 -0.449 0.000 1.119 312 S CA 0.132 58.016 58.200 -0.526 0.000 1.085 312 S CB 1.314 64.306 63.200 -0.347 0.000 1.028 312 S HN 1.435 nan 8.310 nan 0.000 0.489 313 A N 5.402 127.898 122.820 -0.541 0.000 2.271 313 A HA 0.735 5.055 4.320 -0.001 0.000 0.317 313 A C -0.473 176.845 177.584 -0.443 0.000 1.245 313 A CA -0.644 51.038 52.037 -0.591 0.000 0.857 313 A CB 0.484 19.074 19.000 -0.684 0.000 1.175 313 A HN 0.910 nan 8.150 nan 0.000 0.512 314 M N 3.564 122.902 119.600 -0.438 0.000 2.395 314 M HA 0.590 5.069 4.480 -0.001 0.000 0.307 314 M C -1.900 174.414 176.300 0.024 0.000 1.091 314 M CA -0.429 54.852 55.300 -0.032 0.000 0.919 314 M CB 1.444 34.120 32.600 0.126 0.000 1.662 314 M HN 0.775 nan 8.290 nan 0.000 0.440 315 W N 4.483 126.018 121.300 0.393 0.000 2.864 315 W HA 0.699 5.359 4.660 -0.001 0.000 0.343 315 W C -0.995 175.917 176.519 0.654 0.000 1.109 315 W CA -0.743 56.919 57.345 0.528 0.000 1.192 315 W CB 1.924 31.672 29.460 0.479 0.000 1.426 315 W HN 0.576 nan 8.180 nan 0.000 0.529 316 V N -0.937 119.523 119.914 0.909 0.000 3.078 316 V HA 0.491 4.611 4.120 -0.001 0.000 0.311 316 V C 0.247 176.588 176.094 0.412 0.000 1.138 316 V CA -1.209 61.482 62.300 0.652 0.000 1.007 316 V CB 2.444 34.517 31.823 0.416 0.000 1.045 316 V HN 0.634 nan 8.190 nan 0.000 0.432 317 K N 0.125 120.547 120.400 0.037 0.000 2.314 317 K HA 0.297 4.617 4.320 -0.001 0.000 0.198 317 K C 0.203 176.767 176.600 -0.061 0.000 1.045 317 K CA 0.537 56.689 56.287 -0.225 0.000 0.988 317 K CB 0.255 32.492 32.500 -0.438 0.000 0.783 317 K HN 0.593 nan 8.250 nan 0.000 0.484 318 R N 1.180 121.674 120.500 -0.011 0.000 2.467 318 R HA 0.163 4.503 4.340 -0.001 0.000 0.299 318 R C 0.626 176.919 176.300 -0.012 0.000 1.120 318 R CA -0.263 55.836 56.100 -0.001 0.000 0.940 318 R CB 1.170 31.459 30.300 -0.018 0.000 1.161 318 R HN 0.140 nan 8.270 nan 0.000 0.506 319 R N 0.417 120.891 120.500 -0.042 0.000 2.139 319 R HA -0.126 4.213 4.340 -0.001 0.000 0.243 319 R C 0.673 176.855 176.300 -0.197 0.000 1.145 319 R CA 1.876 57.813 56.100 -0.272 0.000 0.976 319 R CB -0.486 29.753 30.300 -0.101 0.000 0.866 319 R HN 0.238 nan 8.270 nan 0.000 0.449 320 T N 1.368 115.887 114.554 -0.057 0.000 2.759 320 T HA -0.116 4.234 4.350 -0.001 0.000 0.269 320 T C 1.080 175.785 174.700 0.009 0.000 1.042 320 T CA 1.737 63.823 62.100 -0.024 0.000 1.140 320 T CB -0.290 68.581 68.868 0.004 0.000 0.864 320 T HN 0.337 nan 8.240 nan 0.000 0.455 321 D N 0.701 121.141 120.400 0.067 0.000 2.144 321 D HA 0.029 4.669 4.640 -0.001 0.000 0.200 321 D C 2.034 178.458 176.300 0.207 0.000 0.978 321 D CA 0.447 54.566 54.000 0.198 0.000 0.833 321 D CB -0.266 40.738 40.800 0.340 0.000 0.961 321 D HN 0.272 nan 8.370 nan 0.000 0.470 322 L N 0.366 121.664 121.223 0.126 0.000 2.049 322 L HA -0.123 4.216 4.340 -0.001 0.000 0.203 322 L C 2.290 179.191 176.870 0.052 0.000 1.074 322 L CA 1.170 56.060 54.840 0.084 0.000 0.749 322 L CB -0.378 41.619 42.059 -0.103 0.000 0.907 322 L HN -0.005 nan 8.230 nan 0.000 0.439 323 T N -0.401 114.097 114.554 -0.094 0.000 2.759 323 T HA -0.154 4.195 4.350 -0.001 0.000 0.269 323 T C 1.550 176.262 174.700 0.020 0.000 1.042 323 T CA 1.301 63.394 62.100 -0.013 0.000 1.140 323 T CB -0.400 68.407 68.868 -0.101 0.000 0.864 323 T HN 0.633 nan 8.240 nan 0.000 0.455 324 G N 0.474 109.262 108.800 -0.020 0.000 2.448 324 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.219 324 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.219 324 G C 1.670 176.508 174.900 -0.103 0.000 1.127 324 G CA 0.867 45.937 45.100 -0.049 0.000 0.766 324 G HN 0.591 nan 8.290 nan 0.000 0.552 325 A N -0.203 122.513 122.820 -0.172 0.000 2.119 325 A HA 0.351 4.671 4.320 -0.001 0.000 0.217 325 A C 1.442 178.616 177.584 -0.683 0.000 1.153 325 A CA 0.555 52.314 52.037 -0.462 0.000 0.692 325 A CB -0.221 18.379 19.000 -0.667 0.000 0.799 325 A HN 0.331 nan 8.150 nan 0.000 0.458 326 F N -0.476 119.477 119.950 0.005 0.000 2.698 326 F HA 0.336 4.863 4.527 -0.001 0.000 0.304 326 F C 0.674 176.523 175.800 0.082 0.000 1.108 326 F CA -0.155 57.890 58.000 0.074 0.000 1.263 326 F CB 0.426 39.531 39.000 0.174 0.000 1.013 326 F HN -0.066 nan 8.300 nan 0.000 0.532 341 G N 1.229 110.076 108.800 0.079 0.000 2.557 341 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.292 341 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.292 341 G C 0.019 174.950 174.900 0.051 0.000 1.162 341 G CA 0.261 45.400 45.100 0.065 0.000 0.964 341 G HN 1.975 nan 8.290 nan 0.000 0.541 342 L N 1.926 123.156 121.223 0.011 0.000 2.540 342 L HA 0.523 4.863 4.340 -0.001 0.000 0.276 342 L C 0.457 177.293 176.870 -0.057 0.000 1.212 342 L CA 0.472 55.294 54.840 -0.031 0.000 0.893 342 L CB 0.068 42.091 42.059 -0.061 0.000 1.138 342 L HN 0.432 nan 8.230 nan 0.000 0.491 343 I N 4.777 125.265 120.570 -0.138 0.000 2.354 343 I HA 0.276 4.446 4.170 -0.001 0.000 0.292 343 I C 0.823 176.756 176.117 -0.307 0.000 0.989 343 I CA 0.020 61.161 61.300 -0.265 0.000 1.188 343 I CB 1.560 39.190 38.000 -0.617 0.000 1.342 343 I HN 0.831 nan 8.210 nan 0.000 0.457 344 T N -1.135 113.290 114.554 -0.215 0.000 2.975 344 T HA 0.094 4.444 4.350 -0.001 0.000 0.257 344 T C 0.248 174.898 174.700 -0.084 0.000 1.003 344 T CA -0.163 61.863 62.100 -0.124 0.000 0.932 344 T CB 0.002 68.769 68.868 -0.168 0.000 1.087 344 T HN 0.612 nan 8.240 nan 0.000 0.512 345 D N 0.779 121.116 120.400 -0.105 0.000 2.634 345 D HA 0.146 4.786 4.640 -0.001 0.000 0.318 345 D C -0.030 176.287 176.300 0.027 0.000 1.226 345 D CA -0.846 53.160 54.000 0.009 0.000 0.899 345 D CB -0.448 40.471 40.800 0.198 0.000 1.025 345 D HN 0.086 nan 8.370 nan 0.000 0.501 346 Y N 1.624 121.853 120.300 -0.118 0.000 2.569 346 Y HA -0.148 4.402 4.550 -0.001 0.000 0.293 346 Y C 2.417 178.297 175.900 -0.033 0.000 1.144 346 Y CA 0.847 58.824 58.100 -0.205 0.000 1.321 346 Y CB -0.287 37.981 38.460 -0.320 0.000 0.982 346 Y HN 0.382 nan 8.280 nan 0.000 0.558 347 R N -1.058 119.469 120.500 0.044 0.000 2.285 347 R HA -0.113 4.227 4.340 -0.001 0.000 0.213 347 R C 0.595 176.807 176.300 -0.146 0.000 1.068 347 R CA 1.787 57.830 56.100 -0.096 0.000 1.004 347 R CB -0.870 29.329 30.300 -0.167 0.000 0.873 347 R HN 0.425 nan 8.270 nan 0.000 0.467 348 H N -1.933 117.275 119.070 0.230 0.000 2.549 348 H HA 0.119 4.675 4.556 -0.001 0.000 0.279 348 H C 0.018 175.424 175.328 0.129 0.000 1.018 348 H CA -0.211 55.950 56.048 0.189 0.000 1.175 348 H CB 0.309 30.226 29.762 0.257 0.000 1.485 348 H HN 0.251 nan 8.280 nan 0.000 0.543 349 W N 1.195 122.463 121.300 -0.052 0.000 3.008 349 W HA 0.195 4.855 4.660 -0.001 0.000 0.355 349 W C 0.188 176.555 176.519 -0.254 0.000 1.095 349 W CA -0.297 57.039 57.345 -0.016 0.000 1.738 349 W CB 0.594 30.168 29.460 0.191 0.000 1.091 349 W HN 0.125 nan 8.180 nan 0.000 0.574 350 Q N -1.906 117.682 119.800 -0.354 0.000 2.565 350 Q HA 0.454 4.794 4.340 -0.001 0.000 0.294 350 Q C 0.138 175.787 176.000 -0.584 0.000 1.005 350 Q CA -0.775 54.810 55.803 -0.363 0.000 0.771 350 Q CB 1.409 30.049 28.738 -0.164 0.000 1.486 350 Q HN -0.018 nan 8.270 nan 0.000 0.422 351 L N -0.166 120.907 121.223 -0.250 0.000 2.023 351 L HA 0.118 4.458 4.340 -0.001 0.000 0.205 351 L C -1.081 175.751 176.870 -0.064 0.000 1.073 351 L CA 0.493 55.286 54.840 -0.079 0.000 0.745 351 L CB -1.114 40.972 42.059 0.045 0.000 0.900 351 L HN 0.612 nan 8.230 nan 0.000 0.435 352 P HA 0.034 nan 4.420 nan 0.000 0.274 352 P C 0.451 177.718 177.300 -0.056 0.000 1.246 352 P CA -0.242 62.831 63.100 -0.045 0.000 0.795 352 P CB 1.493 33.168 31.700 -0.042 0.000 1.006 353 L N 0.363 121.566 121.223 -0.034 0.000 2.145 353 L HA 0.255 4.594 4.340 -0.001 0.000 0.201 353 L C 1.589 178.477 176.870 0.030 0.000 1.075 353 L CA 1.419 56.247 54.840 -0.019 0.000 0.773 353 L CB -1.519 40.514 42.059 -0.043 0.000 0.936 353 L HN 0.554 nan 8.230 nan 0.000 0.451 354 G N 0.055 108.868 108.800 0.021 0.000 2.562 354 G HA2 0.533 4.492 3.960 -0.001 0.000 0.275 354 G HA3 0.533 4.492 3.960 -0.001 0.000 0.275 354 G C -0.654 174.247 174.900 0.002 0.000 1.196 354 G CA -0.374 44.763 45.100 0.062 0.000 0.908 354 G HN 0.340 nan 8.290 nan 0.000 0.524 355 R N -0.777 119.717 120.500 -0.011 0.000 2.728 355 R HA 0.344 4.683 4.340 -0.001 0.000 0.259 355 R C -0.802 175.456 176.300 -0.070 0.000 1.057 355 R CA -1.001 55.060 56.100 -0.065 0.000 0.908 355 R CB 1.068 31.304 30.300 -0.107 0.000 1.259 355 R HN 0.802 nan 8.270 nan 0.000 0.472 356 R N 0.446 120.904 120.500 -0.070 0.000 2.705 356 R HA 0.433 4.773 4.340 -0.001 0.000 0.246 356 R C -0.513 175.781 176.300 -0.010 0.000 1.142 356 R CA -0.810 55.266 56.100 -0.040 0.000 1.114 356 R CB 0.454 30.738 30.300 -0.027 0.000 1.256 356 R HN 0.409 nan 8.270 nan 0.000 0.536 357 F N 2.082 121.945 119.950 -0.145 0.000 2.625 357 F HA 0.201 4.728 4.527 -0.001 0.000 0.373 357 F C 0.964 176.660 175.800 -0.173 0.000 1.158 357 F CA -0.919 56.985 58.000 -0.161 0.000 1.354 357 F CB -0.650 38.262 39.000 -0.146 0.000 1.692 357 F HN 0.521 nan 8.300 nan 0.000 0.634 358 R N -0.555 119.974 120.500 0.050 0.000 2.189 358 R HA -0.120 4.220 4.340 -0.001 0.000 0.223 358 R C 2.351 178.592 176.300 -0.097 0.000 1.092 358 R CA 1.241 57.296 56.100 -0.076 0.000 0.989 358 R CB -0.226 29.990 30.300 -0.140 0.000 0.876 358 R HN 0.459 nan 8.270 nan 0.000 0.457 359 S N 0.583 116.270 115.700 -0.021 0.000 2.469 359 S HA -0.090 4.379 4.470 -0.001 0.000 0.238 359 S C 1.825 176.362 174.600 -0.104 0.000 0.998 359 S CA 0.609 58.762 58.200 -0.078 0.000 0.957 359 S CB -0.139 63.032 63.200 -0.050 0.000 0.764 359 S HN 0.086 nan 8.310 nan 0.000 0.514 360 L N 1.858 122.969 121.223 -0.187 0.000 2.083 360 L HA 0.032 4.372 4.340 -0.001 0.000 0.209 360 L C 2.472 179.249 176.870 -0.154 0.000 1.083 360 L CA 1.564 56.261 54.840 -0.238 0.000 0.752 360 L CB -0.903 40.810 42.059 -0.577 0.000 0.899 360 L HN 0.327 nan 8.230 nan 0.000 0.433 361 K N -1.388 118.877 120.400 -0.226 0.000 2.057 361 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 361 K C 2.063 178.563 176.600 -0.168 0.000 1.049 361 K CA 1.507 57.673 56.287 -0.202 0.000 0.931 361 K CB -0.198 32.189 32.500 -0.189 0.000 0.714 361 K HN 0.296 nan 8.250 nan 0.000 0.440 362 M N -0.815 118.631 119.600 -0.258 0.000 2.099 362 M HA -0.184 4.295 4.480 -0.001 0.000 0.262 362 M C 2.058 178.073 176.300 -0.474 0.000 1.067 362 M CA 1.436 56.367 55.300 -0.616 0.000 1.124 362 M CB -0.423 31.844 32.600 -0.555 0.000 1.353 362 M HN 0.273 nan 8.290 nan 0.000 0.410 363 W N 0.842 121.995 121.300 -0.245 0.000 2.335 363 W HA -0.216 4.443 4.660 -0.001 0.000 0.311 363 W C 1.885 178.518 176.519 0.190 0.000 1.213 363 W CA 1.547 58.892 57.345 0.001 0.000 1.274 363 W CB -0.747 28.721 29.460 0.014 0.000 1.148 363 W HN 0.094 nan 8.180 nan 0.000 0.498 364 F N -0.339 119.628 119.950 0.028 0.000 2.134 364 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 364 F C 2.396 178.207 175.800 0.017 0.000 1.097 364 F CA 1.768 59.727 58.000 -0.068 0.000 1.264 364 F CB -1.414 37.554 39.000 -0.054 0.000 1.001 364 F HN -0.333 nan 8.300 nan 0.000 0.479 365 V N -0.389 119.652 119.914 0.212 0.000 2.295 365 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 365 V C 2.337 178.671 176.094 0.401 0.000 1.049 365 V CA 1.762 64.208 62.300 0.243 0.000 1.024 365 V CB -0.846 31.007 31.823 0.049 0.000 0.648 365 V HN 0.260 nan 8.190 nan 0.000 0.447 366 F N 0.056 120.179 119.950 0.289 0.000 2.126 366 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 366 F C 2.741 178.683 175.800 0.236 0.000 1.096 366 F CA 1.253 59.436 58.000 0.304 0.000 1.255 366 F CB -0.263 39.034 39.000 0.496 0.000 0.997 366 F HN 0.061 nan 8.300 nan 0.000 0.479 367 R N -0.200 120.526 120.500 0.375 0.000 2.119 367 R HA -0.030 4.309 4.340 -0.001 0.000 0.222 367 R C 2.115 178.440 176.300 0.041 0.000 1.088 367 R CA 1.004 57.185 56.100 0.135 0.000 0.984 367 R CB -0.197 30.050 30.300 -0.089 0.000 0.884 367 R HN 0.333 nan 8.270 nan 0.000 0.447 368 M N -0.987 118.646 119.600 0.055 0.000 2.388 368 M HA -0.047 4.432 4.480 -0.001 0.000 0.265 368 M C 1.119 177.381 176.300 -0.064 0.000 1.088 368 M CA 1.485 56.764 55.300 -0.034 0.000 1.134 368 M CB 0.133 32.702 32.600 -0.052 0.000 1.384 368 M HN 0.134 nan 8.290 nan 0.000 0.447 369 Y N 0.321 120.658 120.300 0.062 0.000 2.441 369 Y HA 0.291 4.841 4.550 -0.001 0.000 0.288 369 Y C 1.510 177.437 175.900 0.046 0.000 1.118 369 Y CA 0.707 58.838 58.100 0.053 0.000 1.215 369 Y CB -0.037 38.459 38.460 0.059 0.000 1.118 369 Y HN 0.315 nan 8.280 nan 0.000 0.547 370 G N -0.189 108.745 108.800 0.223 0.000 2.755 370 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.686 370 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.686 370 G C 0.536 175.494 174.900 0.098 0.000 1.427 370 G CA -0.367 44.800 45.100 0.111 0.000 0.873 370 G HN 0.063 nan 8.290 nan 0.000 0.580 371 V N 1.421 121.340 119.914 0.009 0.000 2.332 371 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 371 V C 2.926 179.025 176.094 0.010 0.000 1.055 371 V CA 3.008 65.293 62.300 -0.025 0.000 1.038 371 V CB -0.671 31.102 31.823 -0.082 0.000 0.651 371 V HN 0.794 nan 8.190 nan 0.000 0.450 372 K N 0.271 120.681 120.400 0.017 0.000 2.097 372 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 372 K C 2.265 178.908 176.600 0.072 0.000 1.049 372 K CA 1.417 57.721 56.287 0.029 0.000 0.933 372 K CB -0.628 31.883 32.500 0.018 0.000 0.717 372 K HN 0.567 nan 8.250 nan 0.000 0.442 373 G N 1.061 109.934 108.800 0.121 0.000 2.402 373 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 373 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 373 G C 1.332 176.353 174.900 0.203 0.000 1.162 373 G CA 0.393 45.622 45.100 0.215 0.000 0.777 373 G HN 0.025 nan 8.290 nan 0.000 0.539 374 L N 0.537 121.832 121.223 0.120 0.000 2.093 374 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 374 L C 2.971 179.863 176.870 0.036 0.000 1.085 374 L CA 1.372 56.222 54.840 0.017 0.000 0.755 374 L CB -1.108 40.950 42.059 -0.002 0.000 0.904 374 L HN 0.328 nan 8.230 nan 0.000 0.435 375 Q N -1.308 118.506 119.800 0.023 0.000 2.119 375 Q HA -0.126 4.214 4.340 -0.001 0.000 0.201 375 Q C 2.308 178.321 176.000 0.022 0.000 0.972 375 Q CA 1.456 57.259 55.803 -0.001 0.000 0.847 375 Q CB -0.215 28.521 28.738 -0.003 0.000 0.903 375 Q HN 0.539 nan 8.270 nan 0.000 0.433 376 A N 0.409 123.268 122.820 0.065 0.000 1.902 376 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 376 A C 1.915 179.550 177.584 0.084 0.000 1.181 376 A CA 1.424 53.509 52.037 0.081 0.000 0.623 376 A CB -0.884 18.179 19.000 0.106 0.000 0.818 376 A HN 0.543 nan 8.150 nan 0.000 0.443 377 Y N 0.742 121.012 120.300 -0.050 0.000 2.128 377 Y HA -0.232 4.317 4.550 -0.001 0.000 0.284 377 Y C 2.000 177.768 175.900 -0.219 0.000 1.154 377 Y CA 1.775 59.794 58.100 -0.136 0.000 1.149 377 Y CB -0.196 38.140 38.460 -0.208 0.000 0.976 377 Y HN 0.235 nan 8.280 nan 0.000 0.505 378 I N 0.674 121.010 120.570 -0.391 0.000 2.179 378 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 378 I C 2.461 178.479 176.117 -0.164 0.000 1.088 378 I CA 1.630 62.565 61.300 -0.608 0.000 1.357 378 I CB -1.259 36.391 38.000 -0.583 0.000 1.051 378 I HN 0.292 nan 8.210 nan 0.000 0.409 379 R N 0.549 121.042 120.500 -0.011 0.000 2.120 379 R HA -0.183 4.157 4.340 -0.001 0.000 0.234 379 R C 2.290 178.680 176.300 0.150 0.000 1.123 379 R CA 1.230 57.409 56.100 0.132 0.000 0.975 379 R CB -0.238 30.124 30.300 0.103 0.000 0.866 379 R HN 0.327 nan 8.270 nan 0.000 0.446 380 K N -0.002 120.455 120.400 0.094 0.000 2.057 380 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 380 K C 1.695 178.449 176.600 0.258 0.000 1.050 380 K CA 1.455 57.833 56.287 0.151 0.000 0.935 380 K CB -0.037 32.540 32.500 0.129 0.000 0.715 380 K HN 0.416 nan 8.250 nan 0.000 0.439 381 H N -0.630 118.500 119.070 0.100 0.000 2.387 381 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 381 H C 2.078 177.545 175.328 0.231 0.000 1.090 381 H CA 1.167 57.325 56.048 0.184 0.000 1.332 381 H CB 0.346 30.287 29.762 0.298 0.000 1.386 381 H HN 0.016 nan 8.280 nan 0.000 0.516 382 V N 0.886 121.042 119.914 0.403 0.000 2.427 382 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 382 V C 2.457 178.756 176.094 0.341 0.000 1.051 382 V CA 1.814 64.325 62.300 0.351 0.000 1.048 382 V CB -0.465 31.617 31.823 0.433 0.000 0.666 382 V HN 0.473 nan 8.190 nan 0.000 0.456 383 Q N -0.085 119.900 119.800 0.308 0.000 2.050 383 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 383 Q C 2.272 178.396 176.000 0.206 0.000 0.980 383 Q CA 1.885 57.842 55.803 0.257 0.000 0.840 383 Q CB -0.168 28.681 28.738 0.185 0.000 0.898 383 Q HN 0.609 nan 8.270 nan 0.000 0.424 384 L N 0.278 121.622 121.223 0.202 0.000 2.083 384 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 384 L C 2.752 179.714 176.870 0.154 0.000 1.083 384 L CA 1.180 56.130 54.840 0.182 0.000 0.752 384 L CB -0.583 41.607 42.059 0.218 0.000 0.899 384 L HN 0.272 nan 8.230 nan 0.000 0.433 385 S N -0.688 115.082 115.700 0.117 0.000 2.368 385 S HA -0.230 4.239 4.470 -0.001 0.000 0.225 385 S C 1.871 176.451 174.600 -0.033 0.000 1.030 385 S CA 1.435 59.656 58.200 0.036 0.000 0.999 385 S CB -0.251 62.911 63.200 -0.065 0.000 0.844 385 S HN 0.524 nan 8.310 nan 0.000 0.459 386 H N 0.485 119.603 119.070 0.079 0.000 2.462 386 H HA 0.128 4.684 4.556 -0.001 0.000 0.292 386 H C 2.287 177.540 175.328 -0.125 0.000 1.049 386 H CA 1.416 57.465 56.048 0.003 0.000 1.334 386 H CB 0.040 29.818 29.762 0.026 0.000 1.404 386 H HN 0.511 nan 8.280 nan 0.000 0.544 387 E N -0.059 120.118 120.200 -0.038 0.000 2.077 387 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 387 E C 1.517 177.784 176.600 -0.555 0.000 0.989 387 E CA 0.878 57.092 56.400 -0.310 0.000 0.800 387 E CB -0.073 29.514 29.700 -0.189 0.000 0.746 387 E HN 0.399 nan 8.360 nan 0.000 0.452 388 F N 1.924 121.643 119.950 -0.386 0.000 2.186 388 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 388 F C 2.288 177.752 175.800 -0.560 0.000 1.090 388 F CA 1.573 59.298 58.000 -0.459 0.000 1.307 388 F CB 0.051 38.744 39.000 -0.512 0.000 1.019 388 F HN -0.058 nan 8.300 nan 0.000 0.489 389 E N 0.287 120.339 120.200 -0.247 0.000 2.077 389 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 389 E C 2.257 178.610 176.600 -0.411 0.000 0.989 389 E CA 1.064 57.302 56.400 -0.270 0.000 0.800 389 E CB -0.307 29.363 29.700 -0.050 0.000 0.746 389 E HN 0.461 nan 8.360 nan 0.000 0.452 390 A N 0.580 123.144 122.820 -0.427 0.000 1.902 390 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 390 A C 1.984 179.246 177.584 -0.538 0.000 1.181 390 A CA 1.243 53.026 52.037 -0.423 0.000 0.623 390 A CB -1.005 17.739 19.000 -0.427 0.000 0.818 390 A HN 0.405 nan 8.150 nan 0.000 0.443 391 F N -0.134 119.341 119.950 -0.791 0.000 2.069 391 F HA -0.224 4.303 4.527 -0.001 0.000 0.298 391 F C 2.462 177.422 175.800 -1.400 0.000 1.113 391 F CA 1.243 58.510 58.000 -1.222 0.000 1.214 391 F CB -0.357 37.390 39.000 -2.088 0.000 0.978 391 F HN 0.049 nan 8.300 nan 0.000 0.474 392 V N 0.552 119.624 119.914 -1.402 0.000 2.407 392 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 392 V C 2.174 178.030 176.094 -0.397 0.000 1.055 392 V CA 1.519 63.175 62.300 -1.074 0.000 1.049 392 V CB -0.649 30.625 31.823 -0.914 0.000 0.662 392 V HN 0.350 nan 8.190 nan 0.000 0.455 393 L N -0.229 120.805 121.223 -0.316 0.000 2.275 393 L HA -0.135 4.204 4.340 -0.001 0.000 0.215 393 L C 2.592 179.416 176.870 -0.076 0.000 1.119 393 L CA 0.942 55.702 54.840 -0.133 0.000 0.790 393 L CB -0.468 41.520 42.059 -0.117 0.000 0.919 393 L HN 0.375 nan 8.230 nan 0.000 0.443 394 Q N -0.854 118.882 119.800 -0.107 0.000 2.331 394 Q HA -0.007 4.332 4.340 -0.001 0.000 0.203 394 Q C 0.433 176.470 176.000 0.062 0.000 0.944 394 Q CA 0.613 56.404 55.803 -0.019 0.000 0.892 394 Q CB -0.075 28.658 28.738 -0.008 0.000 0.983 394 Q HN 0.345 nan 8.270 nan 0.000 0.482 395 D N 1.747 122.213 120.400 0.111 0.000 2.412 395 D HA 0.097 4.737 4.640 -0.001 0.000 0.224 395 D C -1.676 174.781 176.300 0.261 0.000 1.093 395 D CA -1.981 52.176 54.000 0.261 0.000 0.850 395 D CB 1.720 42.829 40.800 0.515 0.000 1.046 395 D HN -0.070 nan 8.370 nan 0.000 0.507 396 P HA -0.091 nan 4.420 nan 0.000 0.231 396 P C 0.927 178.292 177.300 0.108 0.000 1.158 396 P CA 0.473 63.644 63.100 0.118 0.000 0.763 396 P CB 0.444 32.188 31.700 0.074 0.000 0.805 397 R N -1.738 118.843 120.500 0.135 0.000 2.200 397 R HA 0.134 4.473 4.340 -0.001 0.000 0.208 397 R C 0.729 176.942 176.300 -0.145 0.000 1.033 397 R CA 0.491 56.563 56.100 -0.046 0.000 1.000 397 R CB -0.145 30.057 30.300 -0.164 0.000 0.906 397 R HN 0.221 nan 8.270 nan 0.000 0.462 398 F N 0.560 120.590 119.950 0.133 0.000 2.518 398 F HA 0.298 4.825 4.527 -0.001 0.000 0.338 398 F C 0.205 176.081 175.800 0.126 0.000 1.065 398 F CA -1.112 56.993 58.000 0.174 0.000 1.012 398 F CB 1.053 40.215 39.000 0.270 0.000 1.297 398 F HN -0.102 nan 8.300 nan 0.000 0.489 399 E N -0.804 119.623 120.200 0.377 0.000 2.366 399 E HA 0.600 4.949 4.350 -0.001 0.000 0.278 399 E C -2.120 174.628 176.600 0.246 0.000 0.923 399 E CA -0.983 55.556 56.400 0.232 0.000 0.761 399 E CB 2.106 31.903 29.700 0.163 0.000 1.231 399 E HN 0.275 nan 8.360 nan 0.000 0.443 400 V N 2.003 122.019 119.914 0.170 0.000 2.465 400 V HA 0.059 4.179 4.120 -0.001 0.000 0.279 400 V C 0.443 176.631 176.094 0.156 0.000 1.045 400 V CA -0.514 61.889 62.300 0.172 0.000 0.938 400 V CB 1.072 32.961 31.823 0.110 0.000 0.986 400 V HN 0.994 nan 8.190 nan 0.000 0.467 401 C N 3.755 123.147 119.300 0.154 0.000 2.697 401 C HA 0.663 5.123 4.460 -0.001 0.000 0.267 401 C C 0.997 176.076 174.990 0.147 0.000 1.278 401 C CA 0.305 59.400 59.018 0.129 0.000 1.708 401 C CB -1.453 26.334 27.740 0.077 0.000 1.860 401 C HN 0.953 nan 8.230 nan 0.000 0.589 402 A N -0.111 122.796 122.820 0.145 0.000 2.597 402 A HA 0.525 4.845 4.320 -0.001 0.000 0.292 402 A C -0.939 176.746 177.584 0.169 0.000 1.057 402 A CA -0.492 51.652 52.037 0.178 0.000 0.674 402 A CB 0.314 19.392 19.000 0.131 0.000 1.278 402 A HN 0.273 nan 8.150 nan 0.000 0.416 403 E N 0.411 120.729 120.200 0.197 0.000 2.502 403 E HA 0.295 4.644 4.350 -0.001 0.000 0.261 403 E C -0.806 175.915 176.600 0.203 0.000 0.974 403 E CA 0.124 56.644 56.400 0.200 0.000 0.936 403 E CB 0.482 30.317 29.700 0.225 0.000 0.926 403 E HN 0.398 nan 8.360 nan 0.000 0.459 404 V N 5.296 125.329 119.914 0.198 0.000 2.333 404 V HA 0.103 4.223 4.120 -0.001 0.000 0.274 404 V C 0.639 176.878 176.094 0.241 0.000 1.028 404 V CA -0.128 62.264 62.300 0.153 0.000 0.851 404 V CB 1.301 33.153 31.823 0.048 0.000 1.000 404 V HN 0.861 nan 8.190 nan 0.000 0.456 405 T N 4.468 119.173 114.554 0.252 0.000 3.026 405 T HA 0.381 4.730 4.350 -0.001 0.000 0.245 405 T C 0.717 175.548 174.700 0.218 0.000 1.004 405 T CA 0.397 62.697 62.100 0.333 0.000 1.069 405 T CB 0.285 69.404 68.868 0.419 0.000 1.005 405 T HN 0.294 nan 8.240 nan 0.000 0.472 406 L N -0.591 120.721 121.223 0.148 0.000 2.867 406 L HA 0.620 4.960 4.340 -0.001 0.000 0.235 406 L C 1.700 178.600 176.870 0.049 0.000 2.007 406 L CA -0.789 54.101 54.840 0.084 0.000 2.313 406 L CB 0.029 42.142 42.059 0.090 0.000 2.475 406 L HN 0.129 nan 8.230 nan 0.000 0.585 407 G N 0.407 109.204 108.800 -0.005 0.000 3.332 407 G HA2 0.322 4.282 3.960 -0.001 0.000 0.242 407 G HA3 0.322 4.282 3.960 -0.001 0.000 0.242 407 G C -0.507 174.341 174.900 -0.085 0.000 1.276 407 G CA 0.275 45.341 45.100 -0.057 0.000 0.988 407 G HN 0.129 nan 8.290 nan 0.000 0.517 408 L N 0.260 121.467 121.223 -0.027 0.000 2.385 408 L HA 0.730 5.070 4.340 -0.001 0.000 0.273 408 L C -1.089 175.797 176.870 0.026 0.000 0.990 408 L CA -0.920 53.904 54.840 -0.026 0.000 0.821 408 L CB 2.554 44.615 42.059 0.004 0.000 1.279 408 L HN -0.148 nan 8.230 nan 0.000 0.412 409 V N 4.067 124.026 119.914 0.074 0.000 2.531 409 V HA 0.420 4.540 4.120 -0.001 0.000 0.301 409 V C -0.618 175.623 176.094 0.244 0.000 1.034 409 V CA -0.573 61.830 62.300 0.171 0.000 0.865 409 V CB 1.613 33.604 31.823 0.279 0.000 0.995 409 V HN 0.882 nan 8.190 nan 0.000 0.424 410 C N 6.540 125.952 119.300 0.187 0.000 2.295 410 C HA 0.839 5.298 4.460 -0.001 0.000 0.331 410 C C -0.096 175.058 174.990 0.273 0.000 1.280 410 C CA -0.703 58.391 59.018 0.127 0.000 1.746 410 C CB -0.708 27.023 27.740 -0.015 0.000 2.328 410 C HN 0.839 nan 8.230 nan 0.000 0.521 411 F N 2.555 122.560 119.950 0.092 0.000 2.685 411 F HA 0.917 5.444 4.527 -0.001 0.000 0.315 411 F C -0.675 175.232 175.800 0.180 0.000 1.126 411 F CA -1.161 56.931 58.000 0.153 0.000 0.950 411 F CB 1.356 40.482 39.000 0.210 0.000 1.360 411 F HN 0.621 nan 8.300 nan 0.000 0.469 412 R N 1.259 121.931 120.500 0.287 0.000 2.690 412 R HA 0.619 4.959 4.340 -0.001 0.000 0.269 412 R C -2.489 174.003 176.300 0.321 0.000 1.037 412 R CA -1.075 55.124 56.100 0.165 0.000 0.877 412 R CB 1.496 31.828 30.300 0.053 0.000 1.255 412 R HN 0.794 nan 8.270 nan 0.000 0.467 413 L N 2.106 123.406 121.223 0.129 0.000 2.319 413 L HA 0.313 4.652 4.340 -0.001 0.000 0.280 413 L C -0.138 176.687 176.870 -0.076 0.000 1.099 413 L CA 0.085 54.822 54.840 -0.170 0.000 0.828 413 L CB 0.773 42.694 42.059 -0.229 0.000 1.150 413 L HN 0.547 nan 8.230 nan 0.000 0.442 414 K N 3.687 124.034 120.400 -0.088 0.000 2.472 414 K HA 0.465 4.785 4.320 -0.001 0.000 0.280 414 K C 0.355 176.926 176.600 -0.048 0.000 1.028 414 K CA 0.761 57.031 56.287 -0.028 0.000 1.045 414 K CB 0.115 32.605 32.500 -0.017 0.000 0.902 414 K HN 0.920 nan 8.250 nan 0.000 0.478 415 G N 1.054 109.842 108.800 -0.020 0.000 2.302 415 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.264 415 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.264 415 G C -0.848 174.044 174.900 -0.013 0.000 1.335 415 G CA -0.484 44.600 45.100 -0.027 0.000 0.982 415 G HN 0.608 nan 8.290 nan 0.000 0.473 416 S N -0.253 115.432 115.700 -0.025 0.000 2.614 416 S HA 0.451 4.921 4.470 -0.001 0.000 0.265 416 S C 0.638 175.222 174.600 -0.026 0.000 1.303 416 S CA 0.636 58.822 58.200 -0.023 0.000 1.000 416 S CB 1.483 64.660 63.200 -0.038 0.000 0.935 416 S HN 0.485 nan 8.310 nan 0.000 0.551 417 D N 1.591 121.975 120.400 -0.026 0.000 2.144 417 D HA 0.013 4.653 4.640 -0.001 0.000 0.200 417 D C 2.136 178.317 176.300 -0.198 0.000 0.978 417 D CA 1.539 55.511 54.000 -0.048 0.000 0.833 417 D CB -1.022 39.766 40.800 -0.019 0.000 0.961 417 D HN 0.781 nan 8.370 nan 0.000 0.470 418 G N 1.332 110.036 108.800 -0.160 0.000 2.442 418 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 418 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 418 G C 1.609 176.407 174.900 -0.169 0.000 1.141 418 G CA 0.183 45.172 45.100 -0.184 0.000 0.763 418 G HN 0.250 nan 8.290 nan 0.000 0.554 419 L N 0.477 121.630 121.223 -0.117 0.000 2.017 419 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 419 L C 2.463 179.280 176.870 -0.089 0.000 1.073 419 L CA 1.489 56.273 54.840 -0.092 0.000 0.745 419 L CB -0.468 41.548 42.059 -0.073 0.000 0.894 419 L HN 0.214 nan 8.230 nan 0.000 0.432 420 N N 0.034 118.691 118.700 -0.072 0.000 2.188 420 N HA -0.191 4.548 4.740 -0.001 0.000 0.184 420 N C 1.585 177.054 175.510 -0.069 0.000 1.018 420 N CA 1.181 54.242 53.050 0.018 0.000 0.858 420 N CB -0.043 38.562 38.487 0.198 0.000 0.989 420 N HN 0.491 nan 8.380 nan 0.000 0.426 421 E N 0.892 120.819 120.200 -0.455 0.000 2.106 421 E HA -0.069 4.281 4.350 -0.001 0.000 0.192 421 E C 1.924 178.388 176.600 -0.227 0.000 0.984 421 E CA 0.834 56.860 56.400 -0.624 0.000 0.806 421 E CB -0.003 29.231 29.700 -0.775 0.000 0.750 421 E HN 0.323 nan 8.360 nan 0.000 0.458 422 A N 1.216 123.936 122.820 -0.168 0.000 1.898 422 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 422 A C 2.142 179.696 177.584 -0.050 0.000 1.181 422 A CA 0.828 52.807 52.037 -0.097 0.000 0.620 422 A CB -0.436 18.511 19.000 -0.088 0.000 0.819 422 A HN 0.221 nan 8.150 nan 0.000 0.442 423 L N -0.556 120.652 121.223 -0.026 0.000 2.046 423 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 423 L C 2.231 179.128 176.870 0.045 0.000 1.077 423 L CA 2.119 56.971 54.840 0.020 0.000 0.747 423 L CB -0.712 41.386 42.059 0.065 0.000 0.896 423 L HN 0.354 nan 8.230 nan 0.000 0.432 424 L N -0.296 120.966 121.223 0.064 0.000 2.046 424 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 424 L C 2.400 179.287 176.870 0.028 0.000 1.077 424 L CA 1.844 56.729 54.840 0.074 0.000 0.747 424 L CB -0.641 41.510 42.059 0.153 0.000 0.896 424 L HN 0.401 nan 8.230 nan 0.000 0.432 425 E N -1.033 119.167 120.200 -0.000 0.000 2.077 425 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 425 E C 2.220 178.817 176.600 -0.005 0.000 0.989 425 E CA 0.882 57.273 56.400 -0.016 0.000 0.800 425 E CB -0.030 29.649 29.700 -0.035 0.000 0.746 425 E HN 0.372 nan 8.360 nan 0.000 0.452 426 R N 0.366 120.864 120.500 -0.003 0.000 2.081 426 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 426 R C 2.347 178.664 176.300 0.029 0.000 1.131 426 R CA 0.968 57.067 56.100 -0.002 0.000 0.960 426 R CB -0.660 29.625 30.300 -0.024 0.000 0.856 426 R HN 0.295 nan 8.270 nan 0.000 0.436 427 I N 1.518 122.119 120.570 0.053 0.000 2.179 427 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 427 I C 1.878 178.062 176.117 0.113 0.000 1.088 427 I CA 1.214 62.592 61.300 0.130 0.000 1.357 427 I CB -0.399 37.689 38.000 0.148 0.000 1.051 427 I HN 0.119 nan 8.210 nan 0.000 0.409 428 N N 0.539 119.263 118.700 0.040 0.000 2.120 428 N HA -0.131 4.608 4.740 -0.001 0.000 0.188 428 N C 2.000 177.509 175.510 -0.002 0.000 1.024 428 N CA 1.493 54.532 53.050 -0.019 0.000 0.852 428 N CB -0.370 38.061 38.487 -0.093 0.000 1.003 428 N HN 0.226 nan 8.380 nan 0.000 0.424 429 S N 0.783 116.492 115.700 0.015 0.000 2.402 429 S HA -0.001 4.469 4.470 -0.001 0.000 0.229 429 S C 2.027 176.654 174.600 0.045 0.000 1.021 429 S CA 0.890 59.104 58.200 0.024 0.000 0.974 429 S CB -0.169 63.040 63.200 0.015 0.000 0.800 429 S HN 0.489 nan 8.310 nan 0.000 0.484 430 A N 1.090 123.956 122.820 0.077 0.000 2.015 430 A HA -0.011 4.309 4.320 -0.001 0.000 0.219 430 A C 1.095 178.717 177.584 0.062 0.000 1.163 430 A CA 0.703 52.806 52.037 0.110 0.000 0.646 430 A CB -0.236 18.923 19.000 0.264 0.000 0.806 430 A HN 0.286 nan 8.150 nan 0.000 0.448 431 R N -1.794 118.735 120.500 0.049 0.000 3.875 431 R HA -0.176 4.164 4.340 -0.001 0.000 0.321 431 R C 0.740 177.018 176.300 -0.037 0.000 1.196 431 R CA 1.418 57.533 56.100 0.025 0.000 0.868 431 R CB -2.138 28.182 30.300 0.033 0.000 1.333 431 R HN 0.694 nan 8.270 nan 0.000 0.522 432 K N 0.255 120.578 120.400 -0.128 0.000 2.168 432 K HA 0.185 4.505 4.320 -0.001 0.000 0.201 432 K C 1.552 178.018 176.600 -0.224 0.000 1.049 432 K CA 1.350 57.451 56.287 -0.310 0.000 0.974 432 K CB 0.296 32.384 32.500 -0.688 0.000 0.792 432 K HN 0.462 nan 8.250 nan 0.000 0.463 433 I N -2.208 118.320 120.570 -0.069 0.000 3.042 433 I HA 0.446 4.616 4.170 -0.001 0.000 0.310 433 I C -1.063 175.155 176.117 0.168 0.000 1.117 433 I CA -1.117 60.268 61.300 0.143 0.000 1.003 433 I CB 2.292 40.516 38.000 0.373 0.000 1.228 433 I HN -0.154 nan 8.210 nan 0.000 0.443 434 H N 3.030 122.080 119.070 -0.033 0.000 2.689 434 H HA 0.833 5.389 4.556 -0.001 0.000 0.346 434 H C -1.885 173.233 175.328 -0.350 0.000 1.037 434 H CA -0.428 55.493 56.048 -0.211 0.000 1.234 434 H CB 1.464 31.074 29.762 -0.253 0.000 1.572 434 H HN 0.613 nan 8.280 nan 0.000 0.524 435 L N 4.231 125.101 121.223 -0.589 0.000 2.341 435 L HA 0.699 5.038 4.340 -0.001 0.000 0.254 435 L C -0.624 175.798 176.870 -0.746 0.000 1.040 435 L CA -1.141 53.328 54.840 -0.618 0.000 0.837 435 L CB 1.853 43.783 42.059 -0.214 0.000 1.425 435 L HN 0.525 nan 8.230 nan 0.000 0.414 436 V N -2.089 117.419 119.914 -0.677 0.000 3.040 436 V HA 0.910 5.029 4.120 -0.001 0.000 0.312 436 V C -2.859 172.969 176.094 -0.444 0.000 1.115 436 V CA -1.566 60.395 62.300 -0.564 0.000 0.998 436 V CB 2.117 33.532 31.823 -0.680 0.000 1.042 436 V HN 0.700 nan 8.190 nan 0.000 0.433 437 P HA 0.771 nan 4.420 nan 0.000 0.317 437 P C -1.015 175.994 177.300 -0.486 0.000 1.301 437 P CA -0.468 62.302 63.100 -0.551 0.000 0.799 437 P CB 2.257 33.479 31.700 -0.797 0.000 1.344 438 C N -3.319 115.638 119.300 -0.572 0.000 3.259 438 C HA 0.695 5.155 4.460 -0.001 0.000 0.344 438 C C -1.255 173.501 174.990 -0.390 0.000 1.401 438 C CA -0.902 57.885 59.018 -0.385 0.000 1.219 438 C CB 1.250 28.799 27.740 -0.320 0.000 1.521 438 C HN 0.546 nan 8.230 nan 0.000 0.455 439 R N 0.468 120.830 120.500 -0.230 0.000 2.437 439 R HA 0.742 5.082 4.340 -0.001 0.000 0.310 439 R C -1.723 174.500 176.300 -0.128 0.000 0.955 439 R CA -0.591 55.423 56.100 -0.144 0.000 0.851 439 R CB 1.666 31.941 30.300 -0.042 0.000 1.161 439 R HN 0.562 nan 8.270 nan 0.000 0.446 440 L N 4.458 125.618 121.223 -0.106 0.000 2.301 440 L HA 0.377 4.717 4.340 -0.001 0.000 0.278 440 L C -0.239 176.697 176.870 0.111 0.000 1.022 440 L CA -0.209 54.580 54.840 -0.086 0.000 0.854 440 L CB 0.926 42.864 42.059 -0.203 0.000 1.226 440 L HN 0.520 nan 8.230 nan 0.000 0.429 441 R N 3.060 123.663 120.500 0.171 0.000 3.201 441 R HA -0.193 4.147 4.340 -0.001 0.000 0.254 441 R C 1.144 177.503 176.300 0.097 0.000 0.978 441 R CA 0.746 56.941 56.100 0.160 0.000 0.661 441 R CB -2.331 28.084 30.300 0.191 0.000 1.170 441 R HN 1.040 nan 8.270 nan 0.000 0.430 442 G N -0.510 108.334 108.800 0.073 0.000 2.322 442 G HA2 -0.442 3.517 3.960 -0.001 0.000 0.264 442 G HA3 -0.442 3.517 3.960 -0.001 0.000 0.264 442 G C 0.239 175.183 174.900 0.073 0.000 0.992 442 G CA 1.044 46.182 45.100 0.064 0.000 0.624 442 G HN 0.609 nan 8.290 nan 0.000 0.543 443 Q N -0.240 119.603 119.800 0.072 0.000 2.304 443 Q HA 0.552 4.892 4.340 -0.001 0.000 0.260 443 Q C -0.336 175.711 176.000 0.079 0.000 0.965 443 Q CA -0.959 54.894 55.803 0.082 0.000 0.898 443 Q CB 0.250 29.032 28.738 0.074 0.000 1.196 443 Q HN 0.275 nan 8.270 nan 0.000 0.402 444 F N 4.745 124.671 119.950 -0.039 0.000 2.472 444 F HA 0.340 4.867 4.527 -0.001 0.000 0.364 444 F C -0.999 174.746 175.800 -0.092 0.000 1.090 444 F CA -0.066 57.894 58.000 -0.068 0.000 1.188 444 F CB 0.554 39.515 39.000 -0.066 0.000 1.105 444 F HN 0.291 nan 8.300 nan 0.000 0.536 445 V N 6.830 126.417 119.914 -0.545 0.000 2.823 445 V HA 0.371 4.491 4.120 -0.001 0.000 0.312 445 V C -0.333 175.383 176.094 -0.631 0.000 1.072 445 V CA -1.091 60.952 62.300 -0.429 0.000 0.937 445 V CB 2.068 33.712 31.823 -0.298 0.000 1.013 445 V HN 0.505 nan 8.190 nan 0.000 0.430 446 L N 3.655 124.524 121.223 -0.590 0.000 2.325 446 L HA 0.607 4.947 4.340 -0.001 0.000 0.279 446 L C 0.040 176.614 176.870 -0.494 0.000 1.054 446 L CA -0.475 53.979 54.840 -0.644 0.000 0.804 446 L CB 1.543 43.027 42.059 -0.959 0.000 1.200 446 L HN 0.603 nan 8.230 nan 0.000 0.436 447 R N 2.297 122.604 120.500 -0.322 0.000 2.445 447 R HA 0.443 4.782 4.340 -0.001 0.000 0.308 447 R C -1.277 174.992 176.300 -0.052 0.000 0.961 447 R CA -0.500 55.487 56.100 -0.188 0.000 0.862 447 R CB 2.085 32.187 30.300 -0.329 0.000 1.144 447 R HN 0.317 nan 8.270 nan 0.000 0.447 448 F N 2.218 122.086 119.950 -0.136 0.000 2.434 448 F HA 0.557 5.084 4.527 -0.001 0.000 0.355 448 F C -0.885 174.713 175.800 -0.337 0.000 1.115 448 F CA -0.562 57.234 58.000 -0.339 0.000 1.010 448 F CB 1.300 39.824 39.000 -0.794 0.000 1.234 448 F HN 0.577 nan 8.300 nan 0.000 0.439 449 A N 6.306 128.773 122.820 -0.589 0.000 2.318 449 A HA 0.692 5.012 4.320 -0.001 0.000 0.317 449 A C -1.069 176.288 177.584 -0.378 0.000 1.159 449 A CA -0.652 51.145 52.037 -0.400 0.000 0.799 449 A CB 0.441 19.240 19.000 -0.334 0.000 1.194 449 A HN 0.533 nan 8.150 nan 0.000 0.479 450 I N 2.605 123.003 120.570 -0.286 0.000 2.421 450 I HA 0.144 4.314 4.170 -0.001 0.000 0.291 450 I C 0.690 176.628 176.117 -0.298 0.000 1.089 450 I CA 0.009 61.154 61.300 -0.259 0.000 1.354 450 I CB 0.162 37.974 38.000 -0.313 0.000 1.413 450 I HN 0.747 nan 8.210 nan 0.000 0.513 451 C N 2.628 121.839 119.300 -0.148 0.000 2.370 451 C HA 0.180 4.640 4.460 -0.001 0.000 0.348 451 C C 1.465 176.590 174.990 0.226 0.000 1.477 451 C CA -0.107 58.949 59.018 0.065 0.000 2.302 451 C CB -0.079 27.782 27.740 0.202 0.000 2.220 451 C HN 0.745 nan 8.230 nan 0.000 0.625 452 S N 1.163 116.944 115.700 0.135 0.000 2.558 452 S HA 0.022 4.492 4.470 -0.001 0.000 0.288 452 S C 1.245 176.097 174.600 0.420 0.000 1.318 452 S CA -0.122 58.211 58.200 0.221 0.000 1.056 452 S CB 0.277 63.487 63.200 0.017 0.000 0.853 452 S HN 0.484 nan 8.310 nan 0.000 0.505 453 R N 2.981 123.731 120.500 0.417 0.000 2.152 453 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 453 R C 1.124 177.641 176.300 0.362 0.000 1.117 453 R CA 1.629 58.000 56.100 0.451 0.000 0.981 453 R CB -0.164 30.277 30.300 0.234 0.000 0.870 453 R HN 0.734 nan 8.270 nan 0.000 0.451 454 K N -0.049 120.494 120.400 0.237 0.000 2.593 454 K HA 0.194 4.514 4.320 -0.001 0.000 0.208 454 K C -0.503 176.190 176.600 0.154 0.000 1.051 454 K CA -0.376 56.025 56.287 0.189 0.000 1.111 454 K CB 0.955 33.531 32.500 0.126 0.000 0.849 454 K HN -0.110 nan 8.250 nan 0.000 0.479 455 V N 1.860 121.887 119.914 0.188 0.000 2.715 455 V HA 0.095 4.215 4.120 -0.001 0.000 0.299 455 V C 0.328 176.648 176.094 0.376 0.000 1.054 455 V CA -0.025 62.384 62.300 0.181 0.000 1.077 455 V CB 0.734 32.667 31.823 0.183 0.000 0.972 455 V HN 0.329 nan 8.190 nan 0.000 0.484 456 E N 1.801 122.352 120.200 0.584 0.000 2.378 456 E HA 0.432 4.782 4.350 -0.001 0.000 0.265 456 E C 0.911 177.675 176.600 0.273 0.000 0.932 456 E CA -0.696 55.904 56.400 0.334 0.000 0.795 456 E CB 1.824 31.638 29.700 0.189 0.000 1.296 456 E HN 0.481 nan 8.360 nan 0.000 0.438 457 S N 0.377 116.193 115.700 0.193 0.000 2.387 457 S HA -0.163 4.307 4.470 -0.001 0.000 0.230 457 S C 1.708 176.424 174.600 0.194 0.000 1.035 457 S CA 1.611 59.929 58.200 0.197 0.000 1.014 457 S CB -0.359 62.930 63.200 0.149 0.000 0.836 457 S HN 0.722 nan 8.310 nan 0.000 0.466 458 G N 2.128 110.974 108.800 0.077 0.000 2.476 458 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 458 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 458 G C 1.158 176.117 174.900 0.098 0.000 1.164 458 G CA 1.037 46.152 45.100 0.024 0.000 0.768 458 G HN 0.535 nan 8.290 nan 0.000 0.560 459 H N 0.071 119.285 119.070 0.240 0.000 2.319 459 H HA -0.049 4.507 4.556 -0.001 0.000 0.299 459 H C 2.880 178.482 175.328 0.457 0.000 1.092 459 H CA 1.354 57.588 56.048 0.310 0.000 1.302 459 H CB -0.729 29.087 29.762 0.090 0.000 1.373 459 H HN 0.214 nan 8.280 nan 0.000 0.497 460 V N 1.308 121.540 119.914 0.529 0.000 2.343 460 V HA -0.256 3.864 4.120 -0.001 0.000 0.247 460 V C 2.759 179.123 176.094 0.450 0.000 1.051 460 V CA 1.978 64.573 62.300 0.491 0.000 1.036 460 V CB -0.465 31.625 31.823 0.445 0.000 0.654 460 V HN 0.226 nan 8.190 nan 0.000 0.451 461 R N 0.582 121.323 120.500 0.401 0.000 2.070 461 R HA -0.114 4.225 4.340 -0.001 0.000 0.233 461 R C 2.088 178.457 176.300 0.115 0.000 1.137 461 R CA 1.895 58.117 56.100 0.205 0.000 0.945 461 R CB -0.876 29.552 30.300 0.214 0.000 0.845 461 R HN 0.468 nan 8.270 nan 0.000 0.430 462 L N -0.042 121.309 121.223 0.213 0.000 2.083 462 L HA -0.101 4.238 4.340 -0.001 0.000 0.209 462 L C 2.512 179.517 176.870 0.226 0.000 1.083 462 L CA 1.343 56.301 54.840 0.195 0.000 0.752 462 L CB -0.706 41.513 42.059 0.267 0.000 0.899 462 L HN 0.379 nan 8.230 nan 0.000 0.433 463 A N -0.336 122.702 122.820 0.364 0.000 1.898 463 A HA -0.263 4.057 4.320 -0.001 0.000 0.216 463 A C 2.177 179.914 177.584 0.255 0.000 1.181 463 A CA 1.376 53.641 52.037 0.380 0.000 0.620 463 A CB -0.942 18.335 19.000 0.462 0.000 0.819 463 A HN 0.703 nan 8.150 nan 0.000 0.442 464 W N 0.820 122.094 121.300 -0.044 0.000 2.381 464 W HA -0.148 4.512 4.660 -0.001 0.000 0.301 464 W C 1.716 178.065 176.519 -0.283 0.000 1.205 464 W CA 1.685 58.856 57.345 -0.291 0.000 1.285 464 W CB -0.153 28.910 29.460 -0.662 0.000 1.133 464 W HN 0.516 nan 8.180 nan 0.000 0.521 465 E N -0.832 119.139 120.200 -0.382 0.000 2.077 465 E HA -0.323 4.026 4.350 -0.001 0.000 0.193 465 E C 2.258 178.673 176.600 -0.308 0.000 0.989 465 E CA 1.648 57.796 56.400 -0.419 0.000 0.800 465 E CB -0.797 28.791 29.700 -0.186 0.000 0.746 465 E HN 0.363 nan 8.360 nan 0.000 0.452 466 H N 0.733 119.676 119.070 -0.211 0.000 2.353 466 H HA -0.117 4.439 4.556 -0.001 0.000 0.300 466 H C 2.116 177.344 175.328 -0.167 0.000 1.090 466 H CA 1.469 57.436 56.048 -0.135 0.000 1.327 466 H CB 0.018 29.756 29.762 -0.041 0.000 1.383 466 H HN 0.148 nan 8.280 nan 0.000 0.508 467 I N 0.351 120.783 120.570 -0.230 0.000 2.252 467 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 467 I C 3.023 178.897 176.117 -0.406 0.000 1.102 467 I CA 0.961 62.108 61.300 -0.255 0.000 1.385 467 I CB -0.327 37.612 38.000 -0.103 0.000 1.064 467 I HN 0.187 nan 8.210 nan 0.000 0.414 468 R N 1.121 121.139 120.500 -0.804 0.000 2.081 468 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 468 R C 2.326 178.435 176.300 -0.318 0.000 1.131 468 R CA 1.668 57.352 56.100 -0.693 0.000 0.960 468 R CB -0.512 29.143 30.300 -1.075 0.000 0.856 468 R HN 0.414 nan 8.270 nan 0.000 0.436 469 G N 1.105 109.708 108.800 -0.328 0.000 2.433 469 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 469 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 469 G C 1.474 176.262 174.900 -0.186 0.000 1.186 469 G CA 0.730 45.698 45.100 -0.219 0.000 0.779 469 G HN 0.238 nan 8.290 nan 0.000 0.543 470 L N 0.725 121.803 121.223 -0.241 0.000 2.079 470 L HA -0.096 4.244 4.340 -0.001 0.000 0.210 470 L C 3.411 180.220 176.870 -0.101 0.000 1.081 470 L CA 1.004 55.736 54.840 -0.181 0.000 0.752 470 L CB -0.465 41.458 42.059 -0.226 0.000 0.896 470 L HN 0.324 nan 8.230 nan 0.000 0.433 471 A N 0.100 122.881 122.820 -0.064 0.000 1.933 471 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 471 A C 2.560 180.101 177.584 -0.072 0.000 1.175 471 A CA 1.692 53.711 52.037 -0.030 0.000 0.628 471 A CB -0.598 18.460 19.000 0.097 0.000 0.814 471 A HN 0.403 nan 8.150 nan 0.000 0.444 472 A N -0.096 122.681 122.820 -0.071 0.000 1.858 472 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 472 A C 1.910 179.455 177.584 -0.065 0.000 1.190 472 A CA 1.708 53.704 52.037 -0.068 0.000 0.617 472 A CB -0.666 18.294 19.000 -0.067 0.000 0.827 472 A HN 0.613 nan 8.150 nan 0.000 0.443 473 E N -0.799 119.359 120.200 -0.069 0.000 2.049 473 E HA -0.242 4.107 4.350 -0.001 0.000 0.198 473 E C 1.958 178.524 176.600 -0.057 0.000 1.007 473 E CA 1.410 57.774 56.400 -0.060 0.000 0.809 473 E CB -0.328 29.334 29.700 -0.063 0.000 0.749 473 E HN 0.448 nan 8.360 nan 0.000 0.450 474 L N 0.934 122.120 121.223 -0.062 0.000 2.042 474 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 474 L C 2.108 178.940 176.870 -0.062 0.000 1.076 474 L CA 1.553 56.357 54.840 -0.060 0.000 0.749 474 L CB -0.329 41.694 42.059 -0.061 0.000 0.893 474 L HN 0.147 nan 8.230 nan 0.000 0.432 475 L N -0.841 120.339 121.223 -0.071 0.000 2.191 475 L HA -0.076 4.263 4.340 -0.001 0.000 0.212 475 L C 1.648 178.485 176.870 -0.055 0.000 1.103 475 L CA 0.397 55.194 54.840 -0.071 0.000 0.769 475 L CB -0.836 41.173 42.059 -0.083 0.000 0.908 475 L HN 0.336 nan 8.230 nan 0.000 0.438 476 A N 0.000 122.791 122.820 -0.049 0.000 2.254 476 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 476 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 476 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 476 A HN 0.000 nan 8.150 nan 0.000 0.486