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 2fyo_1_A DATA FIRST_RESID 32 DATA SEQUENCE DDYLQHSIVP TXHYQDSLPR LPIPKLEDTX KRYLNAQKPL LDDSQFRRTE DATA SEQUENCE ALCKNFETGV GKELHAHLLA QDKQNKHTSY ISGPWFDXYL TARDSIVLNF DATA SEQUENCE NPFXAFNPDP KSEYNDQLTR ATNLTVSAVR FLKTLQAGLL EPEVFHLNPS DATA SEQUENCE KSDTDAFKRL IRFVPPSLSW YGAYLVNAYP LDXSQYFRLF NSTRIPRPNR DATA SEQUENCE DELFTDTKAR HLLVLRKGHF YVFDVLDQDG NIVNPLEIQA HLKYILSDSS DATA SEQUENCE PVPEFPVAYL TSENRDVWAE LRQKLIFDGN EETLKKVDSA VFCLCLDDFP DATA SEQUENCE XKDLIHLSHT XLHGDGTNRW FDKSFNLIVA EDGTAAVHFE HSWGDGVAVL DATA SEQUENCE RFFNEVFRDS TQTPAITPQS QPAATNSSAS VETLSFNLSG ALKAGITAAK DATA SEQUENCE EKFDTTVKTL SIDSIQFQRG GKEFLKKKQL SPDAVAQLAF QXAFLRQYGQ DATA SEQUENCE TVATYESCST AAFKHGRTET IRPASIFTKR CSEAFVRDPS KHSVGELQHX DATA SEQUENCE XAECSKYHGQ LTKEAAXGQG FDRHLYALRY LATARGLNLP ELYLDPAYQQ DATA SEQUENCE XNHNILSTST LNSPAVSLGG FAPVVPDGFG IAYAVHDDWI GCNVSSYSGR DATA SEQUENCE NAREFLHCVQ KCLEDIFDAL EGKAI 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.235 176.300 -0.109 0.000 2.045 32 D CA 0.000 54.000 54.000 0.000 0.000 0.868 32 D CB 0.000 40.877 40.800 0.128 0.000 0.688 33 D N -1.312 118.853 120.400 -0.392 0.000 2.336 33 D HA 0.157 4.797 4.640 0.000 0.000 0.228 33 D C -0.631 175.385 176.300 -0.474 0.000 1.120 33 D CA 0.361 54.107 54.000 -0.423 0.000 0.839 33 D CB -0.176 40.352 40.800 -0.454 0.000 0.932 33 D HN 0.200 nan 8.370 nan 0.000 0.509 34 Y N 0.079 120.372 120.300 -0.011 0.000 2.409 34 Y HA 0.234 4.784 4.550 0.000 0.000 0.339 34 Y C 1.044 176.866 175.900 -0.130 0.000 1.033 34 Y CA -1.227 56.791 58.100 -0.137 0.000 1.094 34 Y CB 1.173 39.433 38.460 -0.333 0.000 1.210 34 Y HN -0.264 nan 8.280 nan 0.000 0.456 35 L N -0.797 120.449 121.223 0.038 0.000 2.628 35 L HA 0.448 4.788 4.340 0.000 0.000 0.229 35 L C -0.012 176.864 176.870 0.011 0.000 1.137 35 L CA 0.032 54.900 54.840 0.047 0.000 0.909 35 L CB -0.502 41.606 42.059 0.080 0.000 1.137 35 L HN 0.661 nan 8.230 nan 0.000 0.470 36 Q N -0.797 118.915 119.800 -0.147 0.000 2.527 36 Q HA 0.407 4.747 4.340 0.000 0.000 0.280 36 Q C -1.518 174.230 176.000 -0.421 0.000 0.977 36 Q CA -0.523 55.206 55.803 -0.123 0.000 0.837 36 Q CB 1.413 30.119 28.738 -0.054 0.000 1.454 36 Q HN 0.410 nan 8.270 nan 0.000 0.387 37 H N 0.159 119.222 119.070 -0.012 0.000 2.380 37 H HA 0.308 4.864 4.556 0.000 0.000 0.231 37 H C -0.942 174.350 175.328 -0.061 0.000 1.415 37 H CA -0.282 55.735 56.048 -0.052 0.000 1.433 37 H CB 1.459 31.208 29.762 -0.022 0.000 1.544 37 H HN 0.320 nan 8.280 nan 0.000 0.503 38 S N 1.521 117.202 115.700 -0.032 0.000 2.510 38 S HA 0.078 4.548 4.470 0.000 0.000 0.279 38 S C 1.686 176.243 174.600 -0.072 0.000 1.284 38 S CA -0.617 57.562 58.200 -0.036 0.000 1.059 38 S CB 0.165 63.337 63.200 -0.047 0.000 0.901 38 S HN 0.654 nan 8.310 nan 0.000 0.491 39 I N 3.747 124.272 120.570 -0.075 0.000 2.761 39 I HA 0.170 4.340 4.170 0.000 0.000 0.261 39 I C 0.111 176.098 176.117 -0.215 0.000 1.198 39 I CA 0.252 61.474 61.300 -0.131 0.000 1.482 39 I CB -0.183 37.746 38.000 -0.118 0.000 1.100 39 I HN 0.275 nan 8.210 nan 0.000 0.445 40 V N 3.906 123.698 119.914 -0.203 0.000 2.385 40 V HA 0.313 4.433 4.120 0.000 0.000 0.269 40 V C -2.120 173.834 176.094 -0.234 0.000 1.043 40 V CA -1.543 60.569 62.300 -0.314 0.000 0.906 40 V CB 0.171 31.852 31.823 -0.236 0.000 0.995 40 V HN 0.072 nan 8.190 nan 0.000 0.467 41 P HA 0.037 nan 4.420 nan 0.000 0.265 41 P C 0.635 177.892 177.300 -0.072 0.000 1.187 41 P CA 0.372 63.386 63.100 -0.143 0.000 0.766 41 P CB 0.217 31.853 31.700 -0.106 0.000 0.820 45 Y N 1.190 121.508 120.300 0.029 0.000 2.449 45 Y HA 0.193 4.743 4.550 0.000 0.000 0.254 45 Y C 2.032 177.944 175.900 0.019 0.000 1.140 45 Y CA 0.338 58.451 58.100 0.023 0.000 1.272 45 Y CB 0.467 38.999 38.460 0.120 0.000 1.114 45 Y HN 0.148 nan 8.280 nan 0.000 0.525 46 Q N 0.499 120.376 119.800 0.129 0.000 2.135 46 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 46 Q C 1.109 177.125 176.000 0.027 0.000 0.981 46 Q CA 1.504 57.355 55.803 0.080 0.000 0.856 46 Q CB -0.299 28.482 28.738 0.072 0.000 0.902 46 Q HN 0.485 nan 8.270 nan 0.000 0.425 47 D N 0.154 120.562 120.400 0.014 0.000 2.219 47 D HA -0.073 4.567 4.640 0.000 0.000 0.205 47 D C 1.387 177.682 176.300 -0.009 0.000 0.970 47 D CA 1.313 55.312 54.000 -0.002 0.000 0.851 47 D CB 0.043 40.840 40.800 -0.005 0.000 0.943 47 D HN 0.291 nan 8.370 nan 0.000 0.488 48 S N -0.724 114.982 115.700 0.010 0.000 2.593 48 S HA 0.205 4.675 4.470 0.000 0.000 0.236 48 S C 0.787 175.234 174.600 -0.254 0.000 0.991 48 S CA -0.482 57.703 58.200 -0.025 0.000 0.963 48 S CB -0.086 63.183 63.200 0.115 0.000 0.865 48 S HN 0.040 nan 8.310 nan 0.000 0.488 49 L N 3.474 124.547 121.223 -0.251 0.000 2.525 49 L HA 0.228 4.568 4.340 0.000 0.000 0.278 49 L C -1.928 174.567 176.870 -0.625 0.000 1.218 49 L CA -1.431 53.105 54.840 -0.507 0.000 0.878 49 L CB -0.123 41.801 42.059 -0.226 0.000 1.127 49 L HN 0.114 nan 8.230 nan 0.000 0.492 50 P HA 0.102 nan 4.420 nan 0.000 0.271 50 P C -0.799 176.423 177.300 -0.129 0.000 1.218 50 P CA -0.297 62.455 63.100 -0.580 0.000 0.780 50 P CB 0.577 31.874 31.700 -0.672 0.000 0.901 51 R N 1.113 121.555 120.500 -0.098 0.000 2.543 51 R HA 0.233 4.574 4.340 0.000 0.000 0.277 51 R C 0.215 176.460 176.300 -0.091 0.000 1.074 51 R CA -0.849 55.209 56.100 -0.069 0.000 1.076 51 R CB -0.065 30.176 30.300 -0.098 0.000 0.993 51 R HN 0.408 nan 8.270 nan 0.000 0.459 52 L N 5.865 126.991 121.223 -0.162 0.000 2.562 52 L HA 0.123 4.463 4.340 0.000 0.000 0.271 52 L C -2.010 174.630 176.870 -0.383 0.000 1.167 52 L CA -1.228 53.317 54.840 -0.492 0.000 0.917 52 L CB 0.107 42.011 42.059 -0.260 0.000 1.187 52 L HN 0.488 nan 8.230 nan 0.000 0.482 53 P HA 0.117 nan 4.420 nan 0.000 0.269 53 P C -0.638 176.500 177.300 -0.269 0.000 1.209 53 P CA 0.098 62.996 63.100 -0.337 0.000 0.776 53 P CB 0.554 32.054 31.700 -0.333 0.000 0.876 54 I N 4.158 124.529 120.570 -0.333 0.000 2.331 54 I HA 0.248 4.418 4.170 0.000 0.000 0.292 54 I C -1.909 173.997 176.117 -0.352 0.000 0.998 54 I CA -2.400 58.575 61.300 -0.541 0.000 1.267 54 I CB 1.012 38.605 38.000 -0.678 0.000 1.386 54 I HN 0.163 nan 8.210 nan 0.000 0.476 55 P HA 0.151 nan 4.420 nan 0.000 0.272 55 P C -0.855 176.427 177.300 -0.029 0.000 1.230 55 P CA -0.569 62.447 63.100 -0.141 0.000 0.788 55 P CB 0.493 32.179 31.700 -0.023 0.000 0.949 56 K N 1.041 121.457 120.400 0.028 0.000 2.401 56 K HA 0.013 4.333 4.320 0.000 0.000 0.278 56 K C 1.125 177.729 176.600 0.006 0.000 1.018 56 K CA -0.342 55.964 56.287 0.032 0.000 0.981 56 K CB 0.096 32.610 32.500 0.024 0.000 0.933 56 K HN 0.307 nan 8.250 nan 0.000 0.477 57 L N 3.766 124.866 121.223 -0.206 0.000 2.079 57 L HA -0.206 4.134 4.340 0.000 0.000 0.210 57 L C 2.151 178.982 176.870 -0.066 0.000 1.081 57 L CA 1.847 56.553 54.840 -0.225 0.000 0.752 57 L CB -0.507 41.263 42.059 -0.482 0.000 0.896 57 L HN 0.814 nan 8.230 nan 0.000 0.433 58 E N -0.818 119.355 120.200 -0.044 0.000 2.085 58 E HA -0.272 4.078 4.350 0.000 0.000 0.194 58 E C 1.610 178.229 176.600 0.032 0.000 0.994 58 E CA 1.711 58.111 56.400 -0.001 0.000 0.801 58 E CB -0.060 29.641 29.700 0.002 0.000 0.743 58 E HN 0.547 nan 8.360 nan 0.000 0.453 59 D N 0.423 120.851 120.400 0.048 0.000 2.117 59 D HA -0.071 4.569 4.640 0.000 0.000 0.198 59 D C 0.868 177.237 176.300 0.114 0.000 0.982 59 D CA 0.944 54.990 54.000 0.076 0.000 0.828 59 D CB -0.697 40.148 40.800 0.074 0.000 0.967 59 D HN 0.133 nan 8.370 nan 0.000 0.464 63 R N 0.509 121.039 120.500 0.050 0.000 2.075 63 R HA -0.068 4.272 4.340 0.000 0.000 0.232 63 R C 2.140 178.267 176.300 -0.290 0.000 1.126 63 R CA 1.773 57.905 56.100 0.053 0.000 0.963 63 R CB -0.304 30.140 30.300 0.240 0.000 0.858 63 R HN 0.172 nan 8.270 nan 0.000 0.435 64 Y N 1.682 121.549 120.300 -0.721 0.000 2.097 64 Y HA -0.238 4.312 4.550 0.000 0.000 0.282 64 Y C 1.848 177.421 175.900 -0.545 0.000 1.152 64 Y CA 1.570 58.966 58.100 -1.174 0.000 1.136 64 Y CB -0.470 37.592 38.460 -0.663 0.000 0.975 64 Y HN -0.050 nan 8.280 nan 0.000 0.498 65 L N 0.178 121.177 121.223 -0.373 0.000 2.079 65 L HA -0.283 4.057 4.340 0.000 0.000 0.210 65 L C 2.192 179.044 176.870 -0.030 0.000 1.081 65 L CA 1.447 56.130 54.840 -0.262 0.000 0.752 65 L CB -0.696 41.292 42.059 -0.117 0.000 0.896 65 L HN 0.264 nan 8.230 nan 0.000 0.433 66 N N 0.205 118.885 118.700 -0.033 0.000 2.166 66 N HA -0.155 4.585 4.740 0.000 0.000 0.186 66 N C 1.803 177.328 175.510 0.025 0.000 1.019 66 N CA 1.587 54.661 53.050 0.039 0.000 0.856 66 N CB -0.252 38.313 38.487 0.130 0.000 0.993 66 N HN 0.340 nan 8.380 nan 0.000 0.426 67 A N 0.514 123.309 122.820 -0.042 0.000 2.016 67 A HA -0.025 4.295 4.320 0.000 0.000 0.217 67 A C 2.035 179.596 177.584 -0.038 0.000 1.162 67 A CA 0.713 52.768 52.037 0.029 0.000 0.662 67 A CB -0.105 18.978 19.000 0.137 0.000 0.812 67 A HN 0.130 nan 8.150 nan 0.000 0.450 68 Q N 0.328 120.036 119.800 -0.153 0.000 2.172 68 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 68 Q C 1.702 177.746 176.000 0.074 0.000 0.964 68 Q CA 1.126 56.876 55.803 -0.088 0.000 0.855 68 Q CB -0.300 28.286 28.738 -0.253 0.000 0.918 68 Q HN 0.687 nan 8.270 nan 0.000 0.444 69 K N 0.529 120.970 120.400 0.067 0.000 2.032 69 K HA -0.195 4.125 4.320 0.000 0.000 0.218 69 K C -0.625 175.883 176.600 -0.152 0.000 1.054 69 K CA 1.921 58.103 56.287 -0.175 0.000 0.941 69 K CB -1.046 31.296 32.500 -0.263 0.000 0.720 69 K HN 0.247 nan 8.250 nan 0.000 0.449 70 P HA -0.079 nan 4.420 nan 0.000 0.233 70 P C 1.052 178.337 177.300 -0.025 0.000 1.167 70 P CA 1.158 64.215 63.100 -0.072 0.000 0.770 70 P CB 0.088 31.760 31.700 -0.047 0.000 0.837 71 L N -1.755 119.465 121.223 -0.006 0.000 2.408 71 L HA 0.188 4.528 4.340 0.000 0.000 0.215 71 L C 1.325 178.209 176.870 0.023 0.000 1.081 71 L CA 0.257 55.105 54.840 0.014 0.000 0.840 71 L CB -0.196 41.873 42.059 0.016 0.000 1.002 71 L HN -0.122 nan 8.230 nan 0.000 0.468 72 L N 0.295 121.540 121.223 0.038 0.000 2.331 72 L HA 0.293 4.633 4.340 0.000 0.000 0.275 72 L C -0.400 176.494 176.870 0.041 0.000 1.022 72 L CA -1.053 53.825 54.840 0.063 0.000 0.812 72 L CB 1.367 43.510 42.059 0.139 0.000 1.257 72 L HN 0.061 nan 8.230 nan 0.000 0.435 73 D N -0.602 119.823 120.400 0.040 0.000 2.393 73 D HA -0.006 4.634 4.640 0.000 0.000 0.246 73 D C 0.371 176.702 176.300 0.051 0.000 1.275 73 D CA -0.363 53.652 54.000 0.025 0.000 0.979 73 D CB 0.666 41.478 40.800 0.021 0.000 1.101 73 D HN 0.403 nan 8.370 nan 0.000 0.505 74 D N -0.837 119.579 120.400 0.028 0.000 2.144 74 D HA -0.157 4.483 4.640 0.000 0.000 0.200 74 D C 2.035 178.389 176.300 0.090 0.000 0.978 74 D CA 1.923 55.953 54.000 0.049 0.000 0.833 74 D CB -0.404 40.403 40.800 0.010 0.000 0.961 74 D HN 0.523 nan 8.370 nan 0.000 0.470 75 S N 0.366 116.100 115.700 0.057 0.000 2.387 75 S HA -0.147 4.323 4.470 0.000 0.000 0.226 75 S C 1.980 176.609 174.600 0.050 0.000 1.026 75 S CA 0.665 58.893 58.200 0.047 0.000 0.972 75 S CB -0.308 62.908 63.200 0.027 0.000 0.814 75 S HN 0.192 nan 8.310 nan 0.000 0.477 76 Q N -0.110 119.724 119.800 0.057 0.000 2.050 76 Q HA 0.009 4.349 4.340 0.000 0.000 0.202 76 Q C 1.905 177.936 176.000 0.053 0.000 0.980 76 Q CA 1.680 57.510 55.803 0.046 0.000 0.840 76 Q CB -0.356 28.411 28.738 0.047 0.000 0.898 76 Q HN 0.665 nan 8.270 nan 0.000 0.424 77 F N 1.121 121.044 119.950 -0.046 0.000 2.134 77 F HA -0.200 4.327 4.527 0.000 0.000 0.299 77 F C 2.121 177.890 175.800 -0.052 0.000 1.097 77 F CA 1.200 59.161 58.000 -0.064 0.000 1.264 77 F CB 0.160 39.117 39.000 -0.072 0.000 1.001 77 F HN -0.090 nan 8.300 nan 0.000 0.479 78 R N 0.496 121.058 120.500 0.104 0.000 2.081 78 R HA -0.164 4.176 4.340 0.000 0.000 0.235 78 R C 2.369 178.629 176.300 -0.066 0.000 1.131 78 R CA 1.533 57.644 56.100 0.018 0.000 0.960 78 R CB -1.155 29.184 30.300 0.064 0.000 0.856 78 R HN 0.359 nan 8.270 nan 0.000 0.436 79 R N 0.071 120.540 120.500 -0.051 0.000 2.073 79 R HA -0.102 4.238 4.340 0.000 0.000 0.234 79 R C 1.729 177.969 176.300 -0.100 0.000 1.134 79 R CA 2.027 58.094 56.100 -0.056 0.000 0.952 79 R CB -0.248 30.035 30.300 -0.029 0.000 0.850 79 R HN 0.125 nan 8.270 nan 0.000 0.433 80 T N 0.557 115.014 114.554 -0.161 0.000 2.777 80 T HA -0.154 4.196 4.350 0.000 0.000 0.266 80 T C 1.559 176.106 174.700 -0.255 0.000 1.040 80 T CA 1.534 63.513 62.100 -0.201 0.000 1.141 80 T CB -0.171 68.533 68.868 -0.274 0.000 0.868 80 T HN 0.447 nan 8.240 nan 0.000 0.444 81 E N 0.833 120.802 120.200 -0.383 0.000 2.110 81 E HA -0.117 4.233 4.350 0.000 0.000 0.193 81 E C 2.345 178.857 176.600 -0.146 0.000 0.988 81 E CA 0.971 57.177 56.400 -0.323 0.000 0.804 81 E CB -0.173 29.311 29.700 -0.360 0.000 0.745 81 E HN 0.479 nan 8.360 nan 0.000 0.458 82 A N 0.896 123.651 122.820 -0.108 0.000 1.898 82 A HA -0.126 4.194 4.320 0.000 0.000 0.216 82 A C 2.169 179.727 177.584 -0.043 0.000 1.181 82 A CA 1.010 53.013 52.037 -0.057 0.000 0.620 82 A CB -0.571 18.404 19.000 -0.042 0.000 0.819 82 A HN 0.293 nan 8.150 nan 0.000 0.442 83 L N -0.845 120.343 121.223 -0.058 0.000 2.093 83 L HA -0.228 4.112 4.340 0.000 0.000 0.208 83 L C 2.690 179.545 176.870 -0.024 0.000 1.085 83 L CA 1.084 55.898 54.840 -0.044 0.000 0.755 83 L CB -0.749 41.267 42.059 -0.072 0.000 0.904 83 L HN 0.476 nan 8.230 nan 0.000 0.435 84 C N 0.008 119.283 119.300 -0.043 0.000 2.432 84 C HA -0.152 4.308 4.460 0.000 0.000 0.277 84 C C 2.826 177.844 174.990 0.048 0.000 1.249 84 C CA 0.666 59.682 59.018 -0.003 0.000 1.725 84 C CB -0.660 27.068 27.740 -0.019 0.000 2.028 84 C HN 0.436 nan 8.230 nan 0.000 0.477 85 K N 0.921 121.326 120.400 0.008 0.000 1.991 85 K HA -0.165 4.155 4.320 0.000 0.000 0.212 85 K C 1.808 178.421 176.600 0.021 0.000 1.049 85 K CA 1.760 58.053 56.287 0.010 0.000 0.932 85 K CB -0.382 32.115 32.500 -0.006 0.000 0.717 85 K HN 0.444 nan 8.250 nan 0.000 0.441 86 N N 0.712 119.426 118.700 0.024 0.000 2.061 86 N HA -0.209 4.531 4.740 0.000 0.000 0.193 86 N C 1.647 177.183 175.510 0.044 0.000 1.030 86 N CA 1.280 54.345 53.050 0.025 0.000 0.856 86 N CB -0.567 37.935 38.487 0.025 0.000 1.023 86 N HN 0.119 nan 8.380 nan 0.000 0.424 87 F N 1.847 121.745 119.950 -0.086 0.000 2.075 87 F HA -0.123 4.405 4.527 0.000 0.000 0.297 87 F C 2.488 178.238 175.800 -0.084 0.000 1.113 87 F CA 1.530 59.467 58.000 -0.104 0.000 1.218 87 F CB -0.331 38.567 39.000 -0.170 0.000 0.984 87 F HN 0.092 nan 8.300 nan 0.000 0.472 88 E N -0.784 119.440 120.200 0.040 0.000 2.160 88 E HA -0.234 4.116 4.350 0.000 0.000 0.195 88 E C 1.776 178.314 176.600 -0.102 0.000 0.991 88 E CA 1.746 58.116 56.400 -0.050 0.000 0.810 88 E CB -0.155 29.553 29.700 0.013 0.000 0.742 88 E HN 0.541 nan 8.360 nan 0.000 0.466 89 T N -3.826 110.684 114.554 -0.074 0.000 3.060 89 T HA 0.297 4.647 4.350 0.000 0.000 0.249 89 T C 0.879 175.531 174.700 -0.079 0.000 1.079 89 T CA 0.192 62.255 62.100 -0.063 0.000 1.013 89 T CB 1.075 69.923 68.868 -0.033 0.000 0.975 89 T HN 0.152 nan 8.240 nan 0.000 0.518 90 G N 0.632 109.358 108.800 -0.123 0.000 3.088 90 G HA2 0.358 4.318 3.960 0.000 0.000 0.197 90 G HA3 0.358 4.318 3.960 0.000 0.000 0.197 90 G C 0.863 175.652 174.900 -0.185 0.000 1.611 90 G CA 0.318 45.348 45.100 -0.117 0.000 0.771 90 G HN 0.080 nan 8.290 nan 0.000 0.789 91 V N 1.657 121.447 119.914 -0.205 0.000 2.407 91 V HA 0.025 4.145 4.120 0.000 0.000 0.248 91 V C 2.762 178.589 176.094 -0.444 0.000 1.055 91 V CA 3.171 65.340 62.300 -0.218 0.000 1.049 91 V CB -0.705 31.061 31.823 -0.095 0.000 0.662 91 V HN 0.595 nan 8.190 nan 0.000 0.455 92 G N -0.648 107.524 108.800 -1.047 0.000 2.421 92 G HA2 -0.354 3.606 3.960 0.000 0.000 0.216 92 G HA3 -0.354 3.606 3.960 0.000 0.000 0.216 92 G C 1.579 176.131 174.900 -0.580 0.000 1.171 92 G CA 1.072 45.219 45.100 -1.589 0.000 0.775 92 G HN 0.552 nan 8.290 nan 0.000 0.543 93 K N 0.202 120.370 120.400 -0.387 0.000 2.089 93 K HA -0.171 4.149 4.320 0.000 0.000 0.210 93 K C 2.388 178.965 176.600 -0.039 0.000 1.048 93 K CA 1.741 57.943 56.287 -0.141 0.000 0.926 93 K CB -0.052 32.382 32.500 -0.109 0.000 0.714 93 K HN 0.191 nan 8.250 nan 0.000 0.448 94 E N 0.628 120.789 120.200 -0.066 0.000 2.072 94 E HA -0.145 4.205 4.350 0.000 0.000 0.190 94 E C 2.174 178.852 176.600 0.131 0.000 0.982 94 E CA 1.014 57.439 56.400 0.041 0.000 0.803 94 E CB -0.222 29.491 29.700 0.022 0.000 0.755 94 E HN 0.372 nan 8.360 nan 0.000 0.453 95 L N 0.300 121.543 121.223 0.033 0.000 2.042 95 L HA -0.229 4.112 4.340 0.000 0.000 0.210 95 L C 2.640 179.599 176.870 0.148 0.000 1.076 95 L CA 1.456 56.345 54.840 0.083 0.000 0.749 95 L CB -0.529 41.562 42.059 0.052 0.000 0.893 95 L HN 0.199 nan 8.230 nan 0.000 0.432 96 H N -0.078 119.005 119.070 0.022 0.000 2.353 96 H HA -0.129 4.427 4.556 0.000 0.000 0.300 96 H C 2.122 177.465 175.328 0.025 0.000 1.090 96 H CA 1.436 57.516 56.048 0.054 0.000 1.327 96 H CB 0.080 29.866 29.762 0.040 0.000 1.383 96 H HN 0.288 nan 8.280 nan 0.000 0.508 97 A N 0.338 123.151 122.820 -0.011 0.000 1.908 97 A HA -0.224 4.096 4.320 0.000 0.000 0.218 97 A C 2.120 179.585 177.584 -0.199 0.000 1.181 97 A CA 1.803 53.761 52.037 -0.132 0.000 0.627 97 A CB -0.796 18.140 19.000 -0.107 0.000 0.818 97 A HN 0.657 nan 8.150 nan 0.000 0.445 98 H N -1.449 117.585 119.070 -0.061 0.000 2.389 98 H HA -0.064 4.492 4.556 0.000 0.000 0.299 98 H C 2.129 177.426 175.328 -0.053 0.000 1.081 98 H CA 1.611 57.633 56.048 -0.042 0.000 1.345 98 H CB -0.199 29.554 29.762 -0.015 0.000 1.393 98 H HN 0.433 nan 8.280 nan 0.000 0.520 99 L N 1.029 122.272 121.223 0.033 0.000 2.017 99 L HA -0.154 4.186 4.340 0.000 0.000 0.208 99 L C 2.344 179.134 176.870 -0.132 0.000 1.073 99 L CA 1.204 56.029 54.840 -0.025 0.000 0.745 99 L CB -0.645 41.401 42.059 -0.023 0.000 0.894 99 L HN 0.106 nan 8.230 nan 0.000 0.432 100 L N -0.769 120.300 121.223 -0.257 0.000 2.012 100 L HA -0.222 4.118 4.340 0.000 0.000 0.210 100 L C 2.712 179.490 176.870 -0.154 0.000 1.073 100 L CA 1.326 56.009 54.840 -0.262 0.000 0.748 100 L CB -1.039 40.816 42.059 -0.339 0.000 0.891 100 L HN 0.381 nan 8.230 nan 0.000 0.431 101 A N -0.507 122.231 122.820 -0.136 0.000 1.883 101 A HA -0.304 4.016 4.320 0.000 0.000 0.217 101 A C 2.280 179.841 177.584 -0.040 0.000 1.186 101 A CA 2.033 54.014 52.037 -0.093 0.000 0.624 101 A CB -0.664 18.263 19.000 -0.122 0.000 0.822 101 A HN 0.520 nan 8.150 nan 0.000 0.444 102 Q N -0.531 119.262 119.800 -0.011 0.000 2.050 102 Q HA -0.275 4.065 4.340 0.000 0.000 0.202 102 Q C 1.813 177.824 176.000 0.018 0.000 0.980 102 Q CA 2.080 57.900 55.803 0.028 0.000 0.840 102 Q CB -0.291 28.485 28.738 0.063 0.000 0.898 102 Q HN 0.652 nan 8.270 nan 0.000 0.424 103 D N 0.022 120.416 120.400 -0.009 0.000 2.133 103 D HA -0.190 4.450 4.640 0.000 0.000 0.195 103 D C 1.516 177.802 176.300 -0.024 0.000 0.997 103 D CA 1.599 55.588 54.000 -0.018 0.000 0.840 103 D CB 0.099 40.862 40.800 -0.061 0.000 0.947 103 D HN 0.208 nan 8.370 nan 0.000 0.452 104 K N -0.536 119.844 120.400 -0.033 0.000 2.288 104 K HA -0.049 4.271 4.320 0.000 0.000 0.201 104 K C 2.181 178.784 176.600 0.006 0.000 1.048 104 K CA 0.624 56.897 56.287 -0.023 0.000 0.956 104 K CB 0.015 32.493 32.500 -0.037 0.000 0.746 104 K HN 0.323 nan 8.250 nan 0.000 0.461 105 Q N 0.142 119.954 119.800 0.020 0.000 2.435 105 Q HA 0.025 4.365 4.340 0.000 0.000 0.207 105 Q C 0.148 176.206 176.000 0.098 0.000 0.956 105 Q CA 0.560 56.392 55.803 0.049 0.000 0.917 105 Q CB 0.395 29.163 28.738 0.050 0.000 0.997 105 Q HN 0.226 nan 8.270 nan 0.000 0.497 106 N N 0.041 118.789 118.700 0.080 0.000 2.610 106 N HA 0.108 4.848 4.740 0.000 0.000 0.307 106 N C -0.383 175.098 175.510 -0.050 0.000 1.813 106 N CA 0.035 53.141 53.050 0.093 0.000 0.901 106 N CB 0.807 39.315 38.487 0.035 0.000 1.354 106 N HN 0.062 nan 8.380 nan 0.000 0.491 107 K N 0.138 120.568 120.400 0.049 0.000 2.515 107 K HA -0.084 4.236 4.320 0.000 0.000 0.196 107 K C 1.570 178.154 176.600 -0.027 0.000 1.038 107 K CA 0.730 57.012 56.287 -0.008 0.000 0.967 107 K CB -0.018 32.491 32.500 0.014 0.000 0.780 107 K HN 0.447 nan 8.250 nan 0.000 0.483 108 H N -1.295 117.759 119.070 -0.027 0.000 2.555 108 H HA 0.080 4.636 4.556 0.000 0.000 0.269 108 H C 0.745 175.999 175.328 -0.122 0.000 0.988 108 H CA 0.593 56.607 56.048 -0.058 0.000 1.178 108 H CB 0.178 29.937 29.762 -0.005 0.000 1.373 108 H HN -0.088 nan 8.280 nan 0.000 0.588 109 T N 0.158 114.376 114.554 -0.559 0.000 2.591 109 T HA 0.463 4.813 4.350 0.000 0.000 0.274 109 T C -0.824 173.779 174.700 -0.162 0.000 0.945 109 T CA -0.027 61.889 62.100 -0.306 0.000 1.087 109 T CB 1.409 70.193 68.868 -0.140 0.000 1.416 109 T HN 0.460 nan 8.240 nan 0.000 0.514 110 S N -0.164 115.514 115.700 -0.036 0.000 2.648 110 S HA 0.432 4.902 4.470 0.000 0.000 0.305 110 S C 0.732 175.300 174.600 -0.054 0.000 1.094 110 S CA -0.432 57.734 58.200 -0.057 0.000 0.983 110 S CB 0.914 64.057 63.200 -0.096 0.000 1.101 110 S HN 0.903 nan 8.310 nan 0.000 0.514 111 Y N 0.298 120.543 120.300 -0.093 0.000 2.421 111 Y HA 0.208 4.758 4.550 0.000 0.000 0.292 111 Y C 1.536 177.398 175.900 -0.063 0.000 1.136 111 Y CA 0.700 58.754 58.100 -0.075 0.000 1.255 111 Y CB -0.273 38.135 38.460 -0.085 0.000 0.991 111 Y HN 0.536 nan 8.280 nan 0.000 0.552 112 I N -0.260 119.873 120.570 -0.728 0.000 3.462 112 I HA 0.012 4.182 4.170 0.000 0.000 0.290 112 I C 2.445 178.418 176.117 -0.240 0.000 1.236 112 I CA 0.639 61.581 61.300 -0.597 0.000 1.418 112 I CB -0.422 37.051 38.000 -0.879 0.000 1.102 112 I HN 0.332 nan 8.210 nan 0.000 0.441 113 S N 0.260 115.852 115.700 -0.181 0.000 2.348 113 S HA -0.111 4.359 4.470 0.000 0.000 0.221 113 S C 2.217 176.857 174.600 0.067 0.000 1.033 113 S CA 1.622 59.770 58.200 -0.086 0.000 1.010 113 S CB -0.948 62.258 63.200 0.010 0.000 0.891 113 S HN 0.557 nan 8.310 nan 0.000 0.442 114 G N 2.009 110.866 108.800 0.096 0.000 2.480 114 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 114 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 114 G C -0.671 174.242 174.900 0.021 0.000 1.200 114 G CA 0.996 46.178 45.100 0.135 0.000 0.782 114 G HN 0.478 nan 8.290 nan 0.000 0.554 115 P HA -0.160 nan 4.420 nan 0.000 0.216 115 P C 1.545 178.944 177.300 0.164 0.000 1.150 115 P CA 1.102 63.852 63.100 -0.583 0.000 0.843 115 P CB -0.122 31.116 31.700 -0.770 0.000 0.787 116 W N -1.172 120.124 121.300 -0.005 0.000 2.407 116 W HA -0.152 4.508 4.660 -0.000 0.000 0.305 116 W C 1.830 178.349 176.519 0.000 0.000 1.196 116 W CA 0.823 58.158 57.345 -0.018 0.000 1.311 116 W CB -0.727 28.609 29.460 -0.208 0.000 1.135 116 W HN -0.108 nan 8.180 nan 0.000 0.514 117 F N 0.964 120.988 119.950 0.124 0.000 2.091 117 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 117 F C 1.590 177.411 175.800 0.034 0.000 1.103 117 F CA 1.675 59.691 58.000 0.026 0.000 1.228 117 F CB -1.520 37.505 39.000 0.042 0.000 0.984 117 F HN -0.252 nan 8.300 nan 0.000 0.477 121 L N 0.680 121.908 121.223 0.009 0.000 2.240 121 L HA -0.057 4.283 4.340 0.000 0.000 0.211 121 L C 2.124 178.993 176.870 -0.002 0.000 1.106 121 L CA 1.961 56.815 54.840 0.022 0.000 0.793 121 L CB -0.401 41.706 42.059 0.081 0.000 0.927 121 L HN 0.430 nan 8.230 nan 0.000 0.446 122 T N -2.695 111.853 114.554 -0.010 0.000 3.067 122 T HA 0.204 4.554 4.350 0.000 0.000 0.261 122 T C 1.012 175.693 174.700 -0.032 0.000 1.110 122 T CA 0.243 62.341 62.100 -0.004 0.000 1.113 122 T CB -0.178 68.704 68.868 0.023 0.000 0.917 122 T HN 0.178 nan 8.240 nan 0.000 0.499 123 A N 1.920 124.683 122.820 -0.095 0.000 2.546 123 A HA 0.409 4.729 4.320 0.000 0.000 0.243 123 A C 1.283 178.863 177.584 -0.006 0.000 1.063 123 A CA -0.518 51.474 52.037 -0.075 0.000 0.757 123 A CB 0.281 19.177 19.000 -0.173 0.000 0.991 123 A HN 0.222 nan 8.150 nan 0.000 0.503 124 R N 1.331 121.852 120.500 0.035 0.000 2.254 124 R HA 0.078 4.418 4.340 0.000 0.000 0.195 124 R C -0.436 175.916 176.300 0.086 0.000 0.957 124 R CA 0.246 56.378 56.100 0.052 0.000 1.024 124 R CB -0.869 29.452 30.300 0.035 0.000 0.952 124 R HN 0.846 nan 8.270 nan 0.000 0.484 125 D N 0.419 120.891 120.400 0.120 0.000 2.390 125 D HA -0.036 4.604 4.640 0.000 0.000 0.236 125 D C 0.139 176.539 176.300 0.166 0.000 1.189 125 D CA 0.239 54.312 54.000 0.120 0.000 0.887 125 D CB 0.411 41.275 40.800 0.106 0.000 1.198 125 D HN -0.161 nan 8.370 nan 0.000 0.444 126 S N 0.259 116.012 115.700 0.089 0.000 2.558 126 S HA -0.027 4.443 4.470 0.000 0.000 0.291 126 S C 1.440 176.138 174.600 0.165 0.000 1.306 126 S CA -0.630 57.621 58.200 0.085 0.000 1.056 126 S CB 0.017 63.216 63.200 -0.001 0.000 0.836 126 S HN 0.506 nan 8.310 nan 0.000 0.504 127 I N 3.328 124.017 120.570 0.197 0.000 2.676 127 I HA 0.122 4.292 4.170 0.000 0.000 0.259 127 I C 0.334 176.536 176.117 0.141 0.000 1.194 127 I CA 0.112 61.603 61.300 0.318 0.000 1.473 127 I CB -0.400 37.764 38.000 0.274 0.000 1.096 127 I HN 0.256 nan 8.210 nan 0.000 0.443 128 V N 3.661 123.536 119.914 -0.065 0.000 2.585 128 V HA -0.009 4.111 4.120 0.000 0.000 0.296 128 V C 1.063 177.095 176.094 -0.104 0.000 1.035 128 V CA 0.025 62.203 62.300 -0.204 0.000 1.084 128 V CB 0.772 32.295 31.823 -0.500 0.000 0.953 128 V HN 0.544 nan 8.190 nan 0.000 0.483 129 L N 2.790 123.989 121.223 -0.040 0.000 3.159 129 L HA -0.347 3.993 4.340 0.000 0.000 0.370 129 L C 1.701 178.506 176.870 -0.108 0.000 1.458 129 L CA 2.611 57.435 54.840 -0.027 0.000 3.093 129 L CB -1.657 40.404 42.059 0.002 0.000 1.152 129 L HN 0.790 nan 8.230 nan 0.000 0.779 130 N N -1.794 116.766 118.700 -0.234 0.000 2.166 130 N HA -0.071 4.670 4.740 0.000 0.000 0.186 130 N C 1.263 176.260 175.510 -0.856 0.000 1.019 130 N CA 2.005 54.680 53.050 -0.626 0.000 0.856 130 N CB -0.136 37.815 38.487 -0.894 0.000 0.993 130 N HN 0.540 nan 8.380 nan 0.000 0.426 131 F N -1.187 118.747 119.950 -0.027 0.000 2.570 131 F HA 0.294 4.821 4.527 0.000 0.000 0.290 131 F C -0.019 175.705 175.800 -0.126 0.000 0.910 131 F CA -0.671 57.327 58.000 -0.003 0.000 1.119 131 F CB -0.306 38.755 39.000 0.102 0.000 0.922 131 F HN -0.280 nan 8.300 nan 0.000 0.703 132 N N 3.957 122.680 118.700 0.038 0.000 2.431 132 N HA 0.185 4.925 4.740 0.000 0.000 0.265 132 N C -2.534 172.760 175.510 -0.360 0.000 1.184 132 N CA -1.113 51.800 53.050 -0.229 0.000 0.943 132 N CB 0.226 38.663 38.487 -0.083 0.000 1.080 132 N HN 0.070 nan 8.380 nan 0.000 0.477 133 P HA 0.490 nan 4.420 nan 0.000 0.307 133 P C -1.049 176.063 177.300 -0.313 0.000 1.307 133 P CA -0.606 62.239 63.100 -0.425 0.000 0.814 133 P CB 1.080 32.442 31.700 -0.563 0.000 1.311 137 F N 1.616 121.839 119.950 0.454 0.000 2.450 137 F HA 0.252 4.779 4.527 -0.000 0.000 0.339 137 F C 1.311 177.192 175.800 0.134 0.000 1.146 137 F CA 0.754 58.891 58.000 0.228 0.000 1.267 137 F CB 0.711 39.743 39.000 0.054 0.000 1.178 137 F HN 0.710 nan 8.300 nan 0.000 0.585 138 N N 3.045 121.850 118.700 0.175 0.000 2.381 138 N HA 0.111 4.851 4.740 0.000 0.000 0.241 138 N C -2.381 173.327 175.510 0.329 0.000 1.279 138 N CA -1.048 52.101 53.050 0.166 0.000 0.896 138 N CB 0.196 38.692 38.487 0.015 0.000 1.118 138 N HN 0.264 nan 8.380 nan 0.000 0.438 139 P HA -0.039 nan 4.420 nan 0.000 0.272 139 P C -0.837 176.622 177.300 0.265 0.000 1.240 139 P CA -0.111 63.128 63.100 0.232 0.000 0.791 139 P CB 0.486 32.281 31.700 0.158 0.000 0.978 140 D N 1.766 122.256 120.400 0.150 0.000 2.458 140 D HA -0.013 4.627 4.640 0.000 0.000 0.243 140 D C -1.138 175.202 176.300 0.066 0.000 1.146 140 D CA -1.330 52.694 54.000 0.041 0.000 0.877 140 D CB 0.607 41.404 40.800 -0.005 0.000 1.176 140 D HN 0.189 nan 8.370 nan 0.000 0.461 141 P HA -0.074 nan 4.420 nan 0.000 0.230 141 P C -0.250 177.062 177.300 0.020 0.000 1.158 141 P CA 0.711 63.839 63.100 0.046 0.000 0.769 141 P CB 0.250 31.975 31.700 0.041 0.000 0.807 142 K N 0.224 120.616 120.400 -0.014 0.000 2.285 142 K HA 0.250 4.570 4.320 0.000 0.000 0.286 142 K C 1.279 177.960 176.600 0.135 0.000 1.072 142 K CA -0.265 56.045 56.287 0.039 0.000 0.913 142 K CB 0.668 33.135 32.500 -0.055 0.000 1.067 142 K HN -0.132 nan 8.250 nan 0.000 0.479 143 S N 2.710 118.477 115.700 0.111 0.000 2.359 143 S HA -0.206 4.264 4.470 0.000 0.000 0.223 143 S C 1.248 175.913 174.600 0.108 0.000 1.039 143 S CA 1.473 59.730 58.200 0.096 0.000 1.042 143 S CB -0.099 63.141 63.200 0.065 0.000 0.915 143 S HN 0.637 nan 8.310 nan 0.000 0.439 144 E N -0.407 119.862 120.200 0.115 0.000 2.418 144 E HA -0.055 4.295 4.350 0.000 0.000 0.197 144 E C 0.910 177.503 176.600 -0.011 0.000 1.026 144 E CA 0.454 56.873 56.400 0.031 0.000 0.862 144 E CB -0.129 29.554 29.700 -0.028 0.000 0.799 144 E HN 0.602 nan 8.360 nan 0.000 0.518 145 Y N 0.760 121.051 120.300 -0.014 0.000 2.578 145 Y HA 0.034 4.584 4.550 -0.000 0.000 0.297 145 Y C 1.489 177.376 175.900 -0.022 0.000 1.176 145 Y CA 0.382 58.466 58.100 -0.026 0.000 1.315 145 Y CB 0.155 38.589 38.460 -0.043 0.000 1.031 145 Y HN 0.050 nan 8.280 nan 0.000 0.524 146 N N 0.382 119.149 118.700 0.111 0.000 2.336 146 N HA -0.048 4.692 4.740 0.000 0.000 0.189 146 N C -0.197 175.335 175.510 0.036 0.000 1.113 146 N CA 0.193 53.286 53.050 0.072 0.000 0.858 146 N CB -0.062 38.473 38.487 0.080 0.000 0.970 146 N HN 0.398 nan 8.380 nan 0.000 0.471 147 D N 1.192 121.597 120.400 0.009 0.000 2.488 147 D HA -0.096 4.544 4.640 0.000 0.000 0.238 147 D C 1.373 177.668 176.300 -0.009 0.000 1.138 147 D CA 0.198 54.190 54.000 -0.013 0.000 0.873 147 D CB 1.034 41.805 40.800 -0.048 0.000 1.183 147 D HN 0.054 nan 8.370 nan 0.000 0.458 148 Q N 2.627 122.422 119.800 -0.007 0.000 2.050 148 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 148 Q C 1.799 177.797 176.000 -0.004 0.000 0.980 148 Q CA 1.144 56.944 55.803 -0.005 0.000 0.840 148 Q CB -0.129 28.601 28.738 -0.014 0.000 0.898 148 Q HN 0.708 nan 8.270 nan 0.000 0.424 149 L N 0.466 121.679 121.223 -0.016 0.000 2.017 149 L HA -0.138 4.202 4.340 0.000 0.000 0.208 149 L C 2.138 178.998 176.870 -0.016 0.000 1.073 149 L CA 2.314 57.144 54.840 -0.016 0.000 0.745 149 L CB -0.922 41.118 42.059 -0.031 0.000 0.894 149 L HN 0.200 nan 8.230 nan 0.000 0.432 150 T N -0.487 114.046 114.554 -0.036 0.000 2.708 150 T HA -0.211 4.139 4.350 0.000 0.000 0.266 150 T C 2.074 176.772 174.700 -0.004 0.000 1.037 150 T CA 1.768 63.839 62.100 -0.049 0.000 1.146 150 T CB -0.261 68.536 68.868 -0.118 0.000 0.865 150 T HN 0.317 nan 8.240 nan 0.000 0.435 151 R N 0.441 120.946 120.500 0.007 0.000 2.093 151 R HA 0.116 4.456 4.340 0.000 0.000 0.224 151 R C 2.665 178.976 176.300 0.018 0.000 1.101 151 R CA 0.962 57.071 56.100 0.014 0.000 0.979 151 R CB -0.322 29.986 30.300 0.013 0.000 0.877 151 R HN 0.371 nan 8.270 nan 0.000 0.441 152 A N -0.069 122.774 122.820 0.039 0.000 1.933 152 A HA -0.132 4.188 4.320 0.000 0.000 0.218 152 A C 2.065 179.711 177.584 0.104 0.000 1.175 152 A CA 1.947 54.032 52.037 0.081 0.000 0.628 152 A CB -0.675 18.375 19.000 0.083 0.000 0.814 152 A HN 0.346 nan 8.150 nan 0.000 0.444 153 T N 0.304 114.902 114.554 0.073 0.000 2.737 153 T HA -0.128 4.222 4.350 0.000 0.000 0.265 153 T C 1.773 176.519 174.700 0.077 0.000 1.038 153 T CA 1.717 63.866 62.100 0.082 0.000 1.144 153 T CB -0.491 68.400 68.868 0.039 0.000 0.866 153 T HN 0.696 nan 8.240 nan 0.000 0.434 154 N N 0.784 119.511 118.700 0.046 0.000 2.142 154 N HA 0.039 4.779 4.740 0.000 0.000 0.186 154 N C 1.842 177.353 175.510 0.002 0.000 1.023 154 N CA 0.750 53.815 53.050 0.026 0.000 0.852 154 N CB -0.279 38.223 38.487 0.024 0.000 0.998 154 N HN 0.225 nan 8.380 nan 0.000 0.424 155 L N 0.381 121.593 121.223 -0.018 0.000 2.046 155 L HA -0.171 4.169 4.340 0.000 0.000 0.208 155 L C 2.316 179.251 176.870 0.108 0.000 1.077 155 L CA 1.116 55.927 54.840 -0.048 0.000 0.747 155 L CB -0.699 41.304 42.059 -0.094 0.000 0.896 155 L HN 0.231 nan 8.230 nan 0.000 0.432 156 T N -0.681 114.004 114.554 0.219 0.000 2.708 156 T HA -0.166 4.184 4.350 0.000 0.000 0.266 156 T C 1.974 176.857 174.700 0.305 0.000 1.037 156 T CA 1.444 63.775 62.100 0.385 0.000 1.146 156 T CB -0.186 68.888 68.868 0.342 0.000 0.865 156 T HN 0.049 nan 8.240 nan 0.000 0.435 157 V N 1.287 121.312 119.914 0.186 0.000 2.358 157 V HA -0.151 3.969 4.120 0.000 0.000 0.246 157 V C 2.696 178.865 176.094 0.125 0.000 1.047 157 V CA 1.735 64.118 62.300 0.139 0.000 1.035 157 V CB -0.700 31.175 31.823 0.088 0.000 0.658 157 V HN 0.428 nan 8.190 nan 0.000 0.452 158 S N 0.119 115.873 115.700 0.089 0.000 2.382 158 S HA -0.167 4.303 4.470 0.000 0.000 0.228 158 S C 2.206 176.892 174.600 0.144 0.000 1.027 158 S CA 1.391 59.630 58.200 0.065 0.000 0.991 158 S CB -0.440 62.740 63.200 -0.033 0.000 0.823 158 S HN 0.656 nan 8.310 nan 0.000 0.469 159 A N 1.070 124.011 122.820 0.201 0.000 1.902 159 A HA -0.043 4.277 4.320 0.000 0.000 0.217 159 A C 2.317 180.198 177.584 0.496 0.000 1.181 159 A CA 1.519 53.812 52.037 0.426 0.000 0.623 159 A CB -0.833 18.442 19.000 0.460 0.000 0.818 159 A HN 0.356 nan 8.150 nan 0.000 0.443 160 V N 0.033 120.161 119.914 0.355 0.000 2.427 160 V HA -0.247 3.873 4.120 0.000 0.000 0.248 160 V C 2.572 178.726 176.094 0.100 0.000 1.051 160 V CA 2.051 64.459 62.300 0.179 0.000 1.048 160 V CB -0.884 31.032 31.823 0.154 0.000 0.666 160 V HN 0.505 nan 8.190 nan 0.000 0.456 161 R N -0.809 119.768 120.500 0.128 0.000 2.091 161 R HA -0.207 4.133 4.340 0.000 0.000 0.238 161 R C 2.251 178.645 176.300 0.157 0.000 1.136 161 R CA 2.131 58.287 56.100 0.094 0.000 0.959 161 R CB -0.606 29.744 30.300 0.082 0.000 0.856 161 R HN 0.514 nan 8.270 nan 0.000 0.437 162 F N 1.598 121.626 119.950 0.130 0.000 2.069 162 F HA -0.253 4.274 4.527 0.000 0.000 0.298 162 F C 2.257 178.162 175.800 0.175 0.000 1.113 162 F CA 1.598 59.736 58.000 0.230 0.000 1.214 162 F CB -0.364 38.899 39.000 0.439 0.000 0.978 162 F HN -0.029 nan 8.300 nan 0.000 0.474 163 L N 0.525 121.823 121.223 0.126 0.000 2.013 163 L HA -0.300 4.040 4.340 0.000 0.000 0.212 163 L C 2.418 179.246 176.870 -0.069 0.000 1.073 163 L CA 1.773 56.411 54.840 -0.337 0.000 0.753 163 L CB -0.513 40.996 42.059 -0.916 0.000 0.890 163 L HN 0.092 nan 8.230 nan 0.000 0.432 164 K N -0.747 119.651 120.400 -0.003 0.000 2.097 164 K HA -0.100 4.220 4.320 0.000 0.000 0.205 164 K C 1.981 178.720 176.600 0.232 0.000 1.050 164 K CA 1.840 58.193 56.287 0.109 0.000 0.938 164 K CB -0.414 32.114 32.500 0.046 0.000 0.718 164 K HN 0.448 nan 8.250 nan 0.000 0.442 165 T N 2.369 117.012 114.554 0.148 0.000 2.777 165 T HA -0.128 4.222 4.350 0.000 0.000 0.266 165 T C 1.868 176.490 174.700 -0.129 0.000 1.040 165 T CA 0.839 62.936 62.100 -0.005 0.000 1.141 165 T CB -0.237 68.564 68.868 -0.112 0.000 0.868 165 T HN 0.061 nan 8.240 nan 0.000 0.444 166 L N 1.288 122.430 121.223 -0.135 0.000 2.012 166 L HA -0.125 4.215 4.340 0.000 0.000 0.210 166 L C 2.492 179.378 176.870 0.028 0.000 1.073 166 L CA 1.815 56.633 54.840 -0.036 0.000 0.748 166 L CB -0.716 41.419 42.059 0.127 0.000 0.891 166 L HN 0.245 nan 8.230 nan 0.000 0.431 167 Q N -0.764 119.068 119.800 0.052 0.000 2.135 167 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 167 Q C 2.098 178.101 176.000 0.005 0.000 0.981 167 Q CA 1.581 57.415 55.803 0.052 0.000 0.856 167 Q CB -0.383 28.394 28.738 0.065 0.000 0.902 167 Q HN 0.697 nan 8.270 nan 0.000 0.425 168 A N 0.066 122.863 122.820 -0.040 0.000 2.167 168 A HA 0.185 4.505 4.320 0.000 0.000 0.214 168 A C 1.558 179.042 177.584 -0.166 0.000 1.151 168 A CA 0.852 52.804 52.037 -0.143 0.000 0.735 168 A CB -0.464 18.300 19.000 -0.392 0.000 0.802 168 A HN 0.487 nan 8.150 nan 0.000 0.467 169 G N -1.209 107.518 108.800 -0.122 0.000 2.160 169 G HA2 -0.245 3.715 3.960 0.000 0.000 0.251 169 G HA3 -0.245 3.715 3.960 0.000 0.000 0.251 169 G C 0.546 175.353 174.900 -0.155 0.000 1.008 169 G CA 0.544 45.578 45.100 -0.109 0.000 0.724 169 G HN 0.504 nan 8.290 nan 0.000 0.514 170 L N -1.045 120.045 121.223 -0.222 0.000 2.585 170 L HA 0.383 4.723 4.340 0.000 0.000 0.226 170 L C 1.340 178.095 176.870 -0.191 0.000 1.113 170 L CA -0.420 54.265 54.840 -0.258 0.000 0.876 170 L CB 0.151 41.925 42.059 -0.475 0.000 1.072 170 L HN 0.296 nan 8.230 nan 0.000 0.468 171 L N 1.158 122.285 121.223 -0.159 0.000 2.410 171 L HA 0.093 4.433 4.340 0.000 0.000 0.273 171 L C 0.618 177.468 176.870 -0.032 0.000 1.152 171 L CA 0.227 54.999 54.840 -0.114 0.000 0.855 171 L CB 0.357 42.327 42.059 -0.149 0.000 1.129 171 L HN 0.043 nan 8.230 nan 0.000 0.463 172 E N 6.187 126.399 120.200 0.020 0.000 2.414 172 E HA 0.070 4.420 4.350 0.000 0.000 0.263 172 E C -2.097 174.567 176.600 0.108 0.000 1.000 172 E CA -1.473 54.969 56.400 0.071 0.000 0.914 172 E CB 0.102 29.865 29.700 0.106 0.000 0.948 172 E HN 0.487 nan 8.360 nan 0.000 0.444 173 P HA -0.088 nan 4.420 nan 0.000 0.266 173 P C -0.572 176.840 177.300 0.186 0.000 1.193 173 P CA 0.439 63.650 63.100 0.184 0.000 0.770 173 P CB 0.450 32.368 31.700 0.363 0.000 0.836 174 E N 1.568 121.851 120.200 0.138 0.000 2.299 174 E HA 0.211 4.561 4.350 0.000 0.000 0.272 174 E C -0.514 176.155 176.600 0.115 0.000 1.043 174 E CA 0.065 56.556 56.400 0.152 0.000 0.895 174 E CB 0.546 30.338 29.700 0.153 0.000 1.011 174 E HN 0.127 nan 8.360 nan 0.000 0.432 175 V N 4.593 124.562 119.914 0.093 0.000 2.668 175 V HA 0.232 4.352 4.120 0.000 0.000 0.304 175 V C -0.775 175.279 176.094 -0.066 0.000 1.071 175 V CA -0.911 61.339 62.300 -0.083 0.000 0.894 175 V CB 1.601 33.262 31.823 -0.270 0.000 1.008 175 V HN 0.547 nan 8.190 nan 0.000 0.425 176 F N 4.727 124.581 119.950 -0.161 0.000 2.350 176 F HA 0.607 5.134 4.527 -0.000 0.000 0.365 176 F C 0.277 176.014 175.800 -0.106 0.000 1.122 176 F CA -0.056 57.912 58.000 -0.054 0.000 1.139 176 F CB 0.350 39.352 39.000 0.003 0.000 1.220 176 F HN 0.605 nan 8.300 nan 0.000 0.499 177 H N 6.030 124.866 119.070 -0.390 0.000 2.502 177 H HA 0.276 4.832 4.556 0.000 0.000 0.327 177 H C 0.923 175.999 175.328 -0.421 0.000 1.099 177 H CA -0.519 55.346 56.048 -0.306 0.000 1.323 177 H CB 1.599 31.204 29.762 -0.262 0.000 1.450 177 H HN 0.676 nan 8.280 nan 0.000 0.502 178 L N 1.320 122.513 121.223 -0.051 0.000 2.179 178 L HA 0.016 4.356 4.340 0.000 0.000 0.208 178 L C 0.125 176.953 176.870 -0.070 0.000 1.096 178 L CA 0.894 55.716 54.840 -0.030 0.000 0.779 178 L CB 0.074 42.189 42.059 0.094 0.000 0.922 178 L HN 0.630 nan 8.230 nan 0.000 0.443 179 N N -0.448 118.210 118.700 -0.071 0.000 2.790 179 N HA 0.183 4.923 4.740 0.000 0.000 0.256 179 N C -2.086 173.348 175.510 -0.127 0.000 1.409 179 N CA -1.018 51.978 53.050 -0.091 0.000 0.799 179 N CB 1.261 39.695 38.487 -0.088 0.000 1.170 179 N HN -0.130 nan 8.380 nan 0.000 0.507 180 P HA -0.177 nan 4.420 nan 0.000 0.218 180 P C 1.362 178.526 177.300 -0.226 0.000 1.146 180 P CA 1.434 64.362 63.100 -0.286 0.000 0.820 180 P CB 0.271 31.836 31.700 -0.226 0.000 0.778 181 S N -2.164 113.450 115.700 -0.143 0.000 2.522 181 S HA 0.014 4.484 4.470 0.000 0.000 0.227 181 S C 1.747 176.293 174.600 -0.090 0.000 0.986 181 S CA 0.586 58.725 58.200 -0.102 0.000 0.929 181 S CB -0.357 62.800 63.200 -0.072 0.000 0.769 181 S HN 0.188 nan 8.310 nan 0.000 0.529 182 K N 0.936 121.268 120.400 -0.113 0.000 2.424 182 K HA 0.151 4.471 4.320 0.000 0.000 0.198 182 K C 1.864 178.382 176.600 -0.135 0.000 1.190 182 K CA 0.839 57.067 56.287 -0.098 0.000 0.935 182 K CB 0.255 32.696 32.500 -0.099 0.000 1.087 182 K HN 0.427 nan 8.250 nan 0.000 0.524 183 S N -0.563 115.007 115.700 -0.217 0.000 2.497 183 S HA 0.016 4.486 4.470 0.000 0.000 0.221 183 S C 0.768 175.250 174.600 -0.197 0.000 1.037 183 S CA 0.132 58.117 58.200 -0.357 0.000 0.920 183 S CB 0.142 63.132 63.200 -0.350 0.000 0.800 183 S HN 0.138 nan 8.310 nan 0.000 0.505 184 D N 3.177 123.358 120.400 -0.366 0.000 3.057 184 D HA 0.274 4.914 4.640 0.000 0.000 0.246 184 D C -0.154 176.081 176.300 -0.107 0.000 1.238 184 D CA 0.064 53.846 54.000 -0.365 0.000 0.949 184 D CB -0.154 40.195 40.800 -0.752 0.000 1.086 184 D HN 0.563 nan 8.370 nan 0.000 0.487 185 T N -2.926 111.645 114.554 0.029 0.000 2.907 185 T HA 0.301 4.651 4.350 0.000 0.000 0.292 185 T C 0.871 175.635 174.700 0.106 0.000 1.043 185 T CA -0.849 61.283 62.100 0.052 0.000 1.003 185 T CB 1.765 70.665 68.868 0.054 0.000 1.084 185 T HN -0.267 nan 8.240 nan 0.000 0.483 186 D N 1.082 121.521 120.400 0.066 0.000 2.178 186 D HA -0.020 4.620 4.640 0.000 0.000 0.201 186 D C 2.274 178.615 176.300 0.068 0.000 0.980 186 D CA 1.589 55.625 54.000 0.059 0.000 0.842 186 D CB -0.541 40.280 40.800 0.035 0.000 0.948 186 D HN 0.762 nan 8.370 nan 0.000 0.472 187 A N 0.225 123.093 122.820 0.081 0.000 1.933 187 A HA -0.166 4.154 4.320 0.000 0.000 0.218 187 A C 2.057 179.716 177.584 0.124 0.000 1.175 187 A CA 0.924 53.011 52.037 0.084 0.000 0.628 187 A CB -0.841 18.205 19.000 0.076 0.000 0.814 187 A HN 0.259 nan 8.150 nan 0.000 0.444 188 F N 0.676 120.643 119.950 0.030 0.000 2.128 188 F HA -0.051 4.476 4.527 0.000 0.000 0.295 188 F C 2.060 177.900 175.800 0.067 0.000 1.100 188 F CA 1.928 59.957 58.000 0.048 0.000 1.260 188 F CB -0.265 38.764 39.000 0.048 0.000 1.009 188 F HN 0.107 nan 8.300 nan 0.000 0.476 189 K N 0.060 120.472 120.400 0.020 0.000 2.103 189 K HA -0.182 4.138 4.320 0.000 0.000 0.207 189 K C 2.148 178.660 176.600 -0.146 0.000 1.048 189 K CA 1.763 58.001 56.287 -0.082 0.000 0.930 189 K CB -0.245 32.278 32.500 0.038 0.000 0.716 189 K HN 0.236 nan 8.250 nan 0.000 0.444 190 R N 0.392 120.855 120.500 -0.061 0.000 2.148 190 R HA -0.028 4.312 4.340 0.000 0.000 0.227 190 R C 2.084 178.423 176.300 0.065 0.000 1.103 190 R CA 0.881 56.978 56.100 -0.005 0.000 0.983 190 R CB -0.093 30.232 30.300 0.041 0.000 0.874 190 R HN 0.186 nan 8.270 nan 0.000 0.451 191 L N -0.678 120.526 121.223 -0.031 0.000 2.145 191 L HA -0.029 4.311 4.340 0.000 0.000 0.201 191 L C 2.144 178.986 176.870 -0.047 0.000 1.075 191 L CA 0.296 55.144 54.840 0.013 0.000 0.773 191 L CB -0.241 41.789 42.059 -0.049 0.000 0.936 191 L HN 0.087 nan 8.230 nan 0.000 0.451 192 I N 1.008 121.371 120.570 -0.346 0.000 2.454 192 I HA -0.263 3.907 4.170 0.000 0.000 0.254 192 I C 2.728 178.762 176.117 -0.138 0.000 1.156 192 I CA 1.309 62.431 61.300 -0.297 0.000 1.433 192 I CB -0.312 37.334 38.000 -0.590 0.000 1.082 192 I HN 0.221 nan 8.210 nan 0.000 0.432 193 R N -0.783 119.532 120.500 -0.309 0.000 2.193 193 R HA -0.148 4.192 4.340 0.000 0.000 0.229 193 R C 1.683 177.744 176.300 -0.397 0.000 1.110 193 R CA 1.633 57.402 56.100 -0.553 0.000 0.988 193 R CB -1.008 28.950 30.300 -0.571 0.000 0.871 193 R HN 0.270 nan 8.270 nan 0.000 0.458 194 F N 1.147 121.040 119.950 -0.094 0.000 2.743 194 F HA 0.175 4.702 4.527 0.000 0.000 0.297 194 F C 0.565 176.384 175.800 0.031 0.000 1.131 194 F CA -0.123 57.860 58.000 -0.029 0.000 1.426 194 F CB 0.504 39.481 39.000 -0.039 0.000 1.116 194 F HN -0.225 nan 8.300 nan 0.000 0.583 195 V N 3.831 123.878 119.914 0.223 0.000 2.488 195 V HA 0.142 4.262 4.120 0.000 0.000 0.277 195 V C -1.826 174.358 176.094 0.151 0.000 1.046 195 V CA -1.962 60.447 62.300 0.181 0.000 0.986 195 V CB 0.295 32.220 31.823 0.170 0.000 0.989 195 V HN -0.121 nan 8.190 nan 0.000 0.475 196 P HA 0.137 nan 4.420 nan 0.000 0.268 196 P C -2.297 174.948 177.300 -0.091 0.000 1.208 196 P CA -1.491 61.627 63.100 0.030 0.000 0.777 196 P CB 0.225 31.951 31.700 0.043 0.000 0.875 197 P HA -0.179 nan 4.420 nan 0.000 0.218 197 P C 1.638 178.901 177.300 -0.062 0.000 1.146 197 P CA 1.764 64.708 63.100 -0.261 0.000 0.813 197 P CB -0.413 31.185 31.700 -0.171 0.000 0.778 198 S N -1.707 113.997 115.700 0.007 0.000 2.469 198 S HA -0.060 4.410 4.470 0.000 0.000 0.238 198 S C 1.524 176.236 174.600 0.187 0.000 0.998 198 S CA 1.024 59.270 58.200 0.078 0.000 0.957 198 S CB -0.985 62.252 63.200 0.063 0.000 0.764 198 S HN 0.158 nan 8.310 nan 0.000 0.514 199 L N 0.810 122.150 121.223 0.194 0.000 3.128 199 L HA 0.197 4.537 4.340 0.000 0.000 0.277 199 L C 2.328 179.433 176.870 0.392 0.000 1.171 199 L CA 0.606 55.666 54.840 0.367 0.000 1.008 199 L CB -0.083 42.105 42.059 0.215 0.000 1.442 199 L HN 0.392 nan 8.230 nan 0.000 0.584 200 S N 0.050 115.871 115.700 0.201 0.000 2.383 200 S HA -0.271 4.199 4.470 0.000 0.000 0.229 200 S C 1.622 176.492 174.600 0.449 0.000 1.030 200 S CA 1.163 59.495 58.200 0.220 0.000 1.002 200 S CB -0.800 62.272 63.200 -0.214 0.000 0.829 200 S HN 0.616 nan 8.310 nan 0.000 0.467 201 W N 1.778 123.200 121.300 0.203 0.000 2.342 201 W HA -0.182 4.478 4.660 -0.000 0.000 0.297 201 W C 1.706 178.181 176.519 -0.073 0.000 1.213 201 W CA 1.508 58.846 57.345 -0.012 0.000 1.251 201 W CB -0.501 28.815 29.460 -0.240 0.000 1.136 201 W HN 0.316 nan 8.180 nan 0.000 0.526 202 Y N 0.191 120.654 120.300 0.271 0.000 2.165 202 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 202 Y C 2.753 178.652 175.900 -0.002 0.000 1.155 202 Y CA 1.783 59.952 58.100 0.114 0.000 1.164 202 Y CB -1.380 37.218 38.460 0.230 0.000 0.978 202 Y HN 0.036 nan 8.280 nan 0.000 0.513 203 G N -0.262 108.680 108.800 0.238 0.000 2.446 203 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 203 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 203 G C 1.947 176.965 174.900 0.196 0.000 1.168 203 G CA 1.279 46.522 45.100 0.238 0.000 0.771 203 G HN 0.492 nan 8.290 nan 0.000 0.551 204 A N -0.052 122.822 122.820 0.090 0.000 1.877 204 A HA -0.069 4.251 4.320 0.000 0.000 0.216 204 A C 2.237 179.470 177.584 -0.585 0.000 1.186 204 A CA 1.826 53.720 52.037 -0.238 0.000 0.620 204 A CB -0.825 17.860 19.000 -0.526 0.000 0.822 204 A HN 0.470 nan 8.150 nan 0.000 0.443 205 Y N 0.644 120.357 120.300 -0.978 0.000 2.114 205 Y HA -0.211 4.339 4.550 0.000 0.000 0.282 205 Y C 1.874 177.450 175.900 -0.540 0.000 1.165 205 Y CA 1.952 59.432 58.100 -1.034 0.000 1.148 205 Y CB -0.446 37.216 38.460 -1.331 0.000 0.972 205 Y HN 0.223 nan 8.280 nan 0.000 0.504 206 L N -0.073 120.933 121.223 -0.362 0.000 2.450 206 L HA -0.102 4.238 4.340 0.000 0.000 0.224 206 L C 1.617 178.308 176.870 -0.298 0.000 1.149 206 L CA 0.933 55.602 54.840 -0.285 0.000 0.816 206 L CB -0.423 41.598 42.059 -0.063 0.000 0.932 206 L HN 0.323 nan 8.230 nan 0.000 0.449 207 V N -4.130 115.563 119.914 -0.368 0.000 3.177 207 V HA 0.263 4.383 4.120 0.000 0.000 0.342 207 V C 0.571 176.419 176.094 -0.410 0.000 1.379 207 V CA -0.541 61.539 62.300 -0.366 0.000 1.191 207 V CB -0.651 30.906 31.823 -0.443 0.000 1.167 207 V HN 0.540 nan 8.190 nan 0.000 0.471 208 N N 0.792 119.189 118.700 -0.506 0.000 2.740 208 N HA -0.175 4.565 4.740 0.000 0.000 0.248 208 N C 0.264 175.470 175.510 -0.505 0.000 1.062 208 N CA 0.992 53.765 53.050 -0.462 0.000 0.704 208 N CB -0.961 37.418 38.487 -0.180 0.000 0.968 208 N HN 1.015 nan 8.380 nan 0.000 0.547 209 A N 0.498 122.850 122.820 -0.781 0.000 2.342 209 A HA 0.674 4.994 4.320 0.000 0.000 0.323 209 A C -0.947 176.078 177.584 -0.931 0.000 1.125 209 A CA -0.466 51.150 52.037 -0.702 0.000 0.785 209 A CB 0.871 19.480 19.000 -0.651 0.000 1.221 209 A HN 0.257 nan 8.150 nan 0.000 0.463 210 Y N 2.553 122.689 120.300 -0.273 0.000 2.686 210 Y HA 0.362 4.912 4.550 0.000 0.000 0.331 210 Y C -2.454 173.348 175.900 -0.163 0.000 0.996 210 Y CA -2.375 55.638 58.100 -0.145 0.000 1.293 210 Y CB 1.098 39.568 38.460 0.017 0.000 1.092 210 Y HN 0.481 nan 8.280 nan 0.000 0.524 211 P HA 0.047 nan 4.420 nan 0.000 0.267 211 P C -0.428 176.898 177.300 0.045 0.000 1.200 211 P CA 0.309 63.314 63.100 -0.158 0.000 0.772 211 P CB 0.860 32.321 31.700 -0.399 0.000 0.855 212 L N 1.481 122.739 121.223 0.058 0.000 2.334 212 L HA 0.408 4.748 4.340 0.000 0.000 0.272 212 L C 1.020 177.931 176.870 0.069 0.000 1.020 212 L CA -0.925 53.952 54.840 0.062 0.000 0.812 212 L CB 1.073 43.184 42.059 0.086 0.000 1.264 212 L HN 0.396 nan 8.230 nan 0.000 0.439 216 Q N -0.031 120.077 119.800 0.512 0.000 2.398 216 Q HA 0.289 4.629 4.340 0.000 0.000 0.204 216 Q C 0.775 176.996 176.000 0.367 0.000 0.932 216 Q CA 0.654 56.710 55.803 0.422 0.000 0.916 216 Q CB -0.228 28.737 28.738 0.379 0.000 1.024 216 Q HN 0.624 nan 8.270 nan 0.000 0.504 217 Y N 0.015 120.473 120.300 0.262 0.000 2.256 217 Y HA -0.254 4.296 4.550 0.000 0.000 0.288 217 Y C 1.922 177.928 175.900 0.178 0.000 1.155 217 Y CA 1.012 59.264 58.100 0.253 0.000 1.203 217 Y CB -0.682 37.971 38.460 0.321 0.000 0.980 217 Y HN 0.296 nan 8.280 nan 0.000 0.530 218 F N -0.247 119.886 119.950 0.306 0.000 2.234 218 F HA -0.040 4.487 4.527 0.000 0.000 0.299 218 F C 1.905 177.731 175.800 0.042 0.000 1.087 218 F CA 0.924 59.047 58.000 0.206 0.000 1.340 218 F CB -0.654 38.439 39.000 0.155 0.000 1.031 218 F HN -0.273 nan 8.300 nan 0.000 0.500 219 R N 1.310 121.110 120.500 -1.166 0.000 2.328 219 R HA 0.011 4.351 4.340 0.000 0.000 0.207 219 R C 2.105 177.676 176.300 -1.214 0.000 1.056 219 R CA 0.535 55.946 56.100 -1.148 0.000 1.016 219 R CB -0.882 28.790 30.300 -1.048 0.000 0.872 219 R HN 0.484 nan 8.270 nan 0.000 0.471 220 L N -0.258 120.380 121.223 -0.975 0.000 2.079 220 L HA -0.129 4.211 4.340 0.000 0.000 0.210 220 L C 0.238 176.617 176.870 -0.818 0.000 1.081 220 L CA 1.289 55.499 54.840 -1.050 0.000 0.752 220 L CB -0.078 41.260 42.059 -1.200 0.000 0.896 220 L HN -0.040 nan 8.230 nan 0.000 0.433 221 F N -1.253 118.617 119.950 -0.133 0.000 2.561 221 F HA 0.298 4.825 4.527 -0.000 0.000 0.321 221 F C 0.809 176.575 175.800 -0.056 0.000 1.065 221 F CA -1.388 56.607 58.000 -0.008 0.000 0.934 221 F CB 0.897 39.971 39.000 0.122 0.000 1.215 221 F HN -0.090 nan 8.300 nan 0.000 0.471 222 N N -0.030 118.763 118.700 0.155 0.000 2.725 222 N HA -0.197 4.543 4.740 0.000 0.000 0.249 222 N C -1.158 174.369 175.510 0.027 0.000 1.103 222 N CA 0.874 53.959 53.050 0.058 0.000 0.707 222 N CB -0.783 37.739 38.487 0.058 0.000 1.043 222 N HN 0.409 nan 8.380 nan 0.000 0.553 223 S N -1.093 114.600 115.700 -0.011 0.000 2.549 223 S HA 0.812 5.282 4.470 0.000 0.000 0.280 223 S C -0.190 174.442 174.600 0.054 0.000 1.109 223 S CA -0.600 57.578 58.200 -0.037 0.000 0.905 223 S CB 2.987 66.018 63.200 -0.280 0.000 1.081 223 S HN 0.202 nan 8.310 nan 0.000 0.477 224 T N 0.863 115.526 114.554 0.181 0.000 2.769 224 T HA 0.501 4.851 4.350 0.000 0.000 0.306 224 T C -1.885 172.976 174.700 0.268 0.000 1.400 224 T CA -0.705 61.553 62.100 0.263 0.000 1.007 224 T CB 1.396 70.487 68.868 0.371 0.000 1.392 224 T HN 0.590 nan 8.240 nan 0.000 0.500 225 R N 2.721 123.390 120.500 0.281 0.000 2.295 225 R HA 0.587 4.927 4.340 0.000 0.000 0.324 225 R C -0.792 175.630 176.300 0.203 0.000 0.968 225 R CA -0.660 55.581 56.100 0.235 0.000 0.837 225 R CB 0.411 30.857 30.300 0.243 0.000 1.133 225 R HN 0.468 nan 8.270 nan 0.000 0.450 226 I N 7.047 127.695 120.570 0.130 0.000 2.336 226 I HA 0.314 4.484 4.170 0.000 0.000 0.292 226 I C -2.060 174.023 176.117 -0.057 0.000 0.991 226 I CA -2.919 58.393 61.300 0.021 0.000 1.227 226 I CB 1.404 39.399 38.000 -0.008 0.000 1.366 226 I HN 0.498 nan 8.210 nan 0.000 0.466 227 P HA 0.252 nan 4.420 nan 0.000 0.276 227 P C -0.560 176.626 177.300 -0.191 0.000 1.243 227 P CA -0.309 62.656 63.100 -0.226 0.000 0.768 227 P CB 1.024 32.403 31.700 -0.534 0.000 0.856 228 R N 3.466 123.912 120.500 -0.090 0.000 2.771 228 R HA 0.522 4.862 4.340 0.000 0.000 0.274 228 R C -2.619 173.660 176.300 -0.035 0.000 0.987 228 R CA -2.458 53.603 56.100 -0.065 0.000 0.908 228 R CB 1.383 31.663 30.300 -0.033 0.000 1.213 228 R HN 0.308 nan 8.270 nan 0.000 0.468 229 P HA 0.055 nan 4.420 nan 0.000 0.269 229 P C -0.124 177.174 177.300 -0.004 0.000 1.209 229 P CA 0.151 63.244 63.100 -0.013 0.000 0.776 229 P CB 0.501 32.193 31.700 -0.015 0.000 0.876 230 N N -0.665 118.036 118.700 0.002 0.000 1.922 230 N HA -0.249 4.491 4.740 0.000 0.000 0.219 230 N C 0.346 175.864 175.510 0.012 0.000 0.931 230 N CA 1.908 54.962 53.050 0.006 0.000 3.603 230 N CB -0.980 37.509 38.487 0.005 0.000 0.737 230 N HN 0.659 nan 8.380 nan 0.000 0.353 231 R N 1.193 121.701 120.500 0.014 0.000 2.508 231 R HA 0.266 4.606 4.340 0.000 0.000 0.283 231 R C -1.799 174.515 176.300 0.022 0.000 1.120 231 R CA -0.465 55.650 56.100 0.024 0.000 0.958 231 R CB 1.182 31.505 30.300 0.038 0.000 1.215 231 R HN -0.097 nan 8.270 nan 0.000 0.427 232 D N 1.831 122.247 120.400 0.027 0.000 2.371 232 D HA 0.065 4.705 4.640 0.000 0.000 0.242 232 D C -0.393 175.934 176.300 0.045 0.000 1.218 232 D CA 0.210 54.228 54.000 0.031 0.000 0.945 232 D CB 0.948 41.776 40.800 0.047 0.000 1.137 232 D HN 0.456 nan 8.370 nan 0.000 0.464 233 E N 0.626 120.858 120.200 0.053 0.000 2.199 233 E HA 0.352 4.702 4.350 0.000 0.000 0.269 233 E C -1.077 175.589 176.600 0.110 0.000 0.899 233 E CA -0.645 55.798 56.400 0.072 0.000 0.772 233 E CB 0.881 30.625 29.700 0.072 0.000 1.155 233 E HN 0.298 nan 8.360 nan 0.000 0.408 234 L N 5.065 126.345 121.223 0.096 0.000 2.276 234 L HA 0.409 4.749 4.340 0.000 0.000 0.286 234 L C -0.409 176.564 176.870 0.172 0.000 1.061 234 L CA -0.703 54.209 54.840 0.120 0.000 0.807 234 L CB 0.513 42.601 42.059 0.048 0.000 1.177 234 L HN 0.536 nan 8.230 nan 0.000 0.429 235 F N 2.575 122.555 119.950 0.049 0.000 2.495 235 F HA 0.619 5.146 4.527 -0.000 0.000 0.327 235 F C -0.321 175.514 175.800 0.059 0.000 1.103 235 F CA -0.129 57.905 58.000 0.058 0.000 0.949 235 F CB 1.914 40.954 39.000 0.067 0.000 1.142 235 F HN 0.294 nan 8.300 nan 0.000 0.457 236 T N 4.343 118.433 114.554 -0.773 0.000 2.916 236 T HA 0.291 4.641 4.350 0.000 0.000 0.298 236 T C -1.983 172.222 174.700 -0.825 0.000 1.031 236 T CA -0.568 61.194 62.100 -0.562 0.000 0.993 236 T CB 1.473 70.297 68.868 -0.073 0.000 1.045 236 T HN 0.540 nan 8.240 nan 0.000 0.454 237 D N 1.486 121.606 120.400 -0.465 0.000 2.375 237 D HA 0.254 4.894 4.640 0.000 0.000 0.259 237 D C 1.381 177.649 176.300 -0.052 0.000 1.235 237 D CA -0.512 53.351 54.000 -0.227 0.000 0.924 237 D CB 0.927 41.698 40.800 -0.048 0.000 1.143 237 D HN 0.504 nan 8.370 nan 0.000 0.529 238 T N 0.432 114.968 114.554 -0.030 0.000 3.051 238 T HA -0.096 4.254 4.350 0.000 0.000 0.269 238 T C 1.373 176.086 174.700 0.022 0.000 1.127 238 T CA 0.774 62.886 62.100 0.021 0.000 1.107 238 T CB -0.015 68.868 68.868 0.025 0.000 0.898 238 T HN 0.273 nan 8.240 nan 0.000 0.517 239 K N 1.226 121.637 120.400 0.019 0.000 2.365 239 K HA 0.386 4.706 4.320 0.000 0.000 0.197 239 K C 1.080 177.707 176.600 0.046 0.000 1.042 239 K CA 0.222 56.527 56.287 0.031 0.000 0.987 239 K CB 0.035 32.554 32.500 0.033 0.000 0.779 239 K HN 0.455 nan 8.250 nan 0.000 0.484 240 A N 1.593 124.443 122.820 0.051 0.000 2.450 240 A HA 0.120 4.440 4.320 0.000 0.000 0.255 240 A C 0.383 177.973 177.584 0.011 0.000 1.096 240 A CA -0.035 52.043 52.037 0.069 0.000 0.778 240 A CB 0.242 19.269 19.000 0.045 0.000 1.031 240 A HN 0.264 nan 8.150 nan 0.000 0.494 241 R N 0.383 120.922 120.500 0.064 0.000 2.472 241 R HA 0.115 4.455 4.340 0.000 0.000 0.279 241 R C -0.414 175.887 176.300 0.003 0.000 0.953 241 R CA 0.084 56.197 56.100 0.022 0.000 1.088 241 R CB 0.155 30.482 30.300 0.046 0.000 1.197 241 R HN 1.004 nan 8.270 nan 0.000 0.536 242 H N -1.693 117.324 119.070 -0.088 0.000 2.533 242 H HA 0.460 5.016 4.556 -0.000 0.000 0.343 242 H C -0.818 174.350 175.328 -0.267 0.000 1.160 242 H CA -1.144 54.801 56.048 -0.172 0.000 1.218 242 H CB 1.179 30.863 29.762 -0.131 0.000 1.566 242 H HN -0.149 nan 8.280 nan 0.000 0.522 243 L N 2.233 123.199 121.223 -0.430 0.000 2.325 243 L HA 0.362 4.702 4.340 0.000 0.000 0.279 243 L C -1.124 175.527 176.870 -0.365 0.000 1.054 243 L CA -0.920 53.566 54.840 -0.590 0.000 0.804 243 L CB 1.219 42.778 42.059 -0.832 0.000 1.200 243 L HN 0.747 nan 8.230 nan 0.000 0.436 244 L N 5.454 126.493 121.223 -0.306 0.000 2.309 244 L HA 0.707 5.047 4.340 0.000 0.000 0.282 244 L C -1.135 175.676 176.870 -0.099 0.000 1.036 244 L CA -0.114 54.659 54.840 -0.111 0.000 0.806 244 L CB 1.616 43.631 42.059 -0.074 0.000 1.220 244 L HN 0.419 nan 8.230 nan 0.000 0.429 245 V N 6.148 126.094 119.914 0.052 0.000 2.588 245 V HA 0.466 4.586 4.120 0.000 0.000 0.304 245 V C -0.305 175.878 176.094 0.149 0.000 1.042 245 V CA -0.625 61.745 62.300 0.116 0.000 0.877 245 V CB 1.696 33.647 31.823 0.213 0.000 0.996 245 V HN 0.617 nan 8.190 nan 0.000 0.425 246 L N 5.051 126.288 121.223 0.024 0.000 2.296 246 L HA 0.730 5.070 4.340 0.000 0.000 0.286 246 L C -0.112 176.787 176.870 0.049 0.000 1.023 246 L CA -0.493 54.303 54.840 -0.073 0.000 0.812 246 L CB 1.675 43.571 42.059 -0.271 0.000 1.223 246 L HN 0.630 nan 8.230 nan 0.000 0.421 247 R N 3.519 124.121 120.500 0.170 0.000 2.515 247 R HA 0.278 4.618 4.340 0.000 0.000 0.291 247 R C -0.548 175.853 176.300 0.168 0.000 1.046 247 R CA -0.601 55.593 56.100 0.157 0.000 0.914 247 R CB 1.062 31.462 30.300 0.168 0.000 1.191 247 R HN 0.583 nan 8.270 nan 0.000 0.435 248 K N 2.694 123.128 120.400 0.057 0.000 3.016 248 K HA -0.242 4.078 4.320 0.000 0.000 0.262 248 K C 0.512 176.982 176.600 -0.216 0.000 1.043 248 K CA 0.995 57.281 56.287 -0.002 0.000 0.761 248 K CB -1.266 31.305 32.500 0.118 0.000 1.230 248 K HN 1.169 nan 8.250 nan 0.000 0.485 249 G N -0.014 108.656 108.800 -0.217 0.000 2.184 249 G HA2 -0.304 3.656 3.960 0.000 0.000 0.264 249 G HA3 -0.304 3.656 3.960 0.000 0.000 0.264 249 G C -0.037 174.698 174.900 -0.275 0.000 0.975 249 G CA 0.660 45.587 45.100 -0.289 0.000 0.642 249 G HN 0.554 nan 8.290 nan 0.000 0.536 250 H N -0.775 118.282 119.070 -0.021 0.000 2.481 250 H HA 0.569 5.125 4.556 -0.000 0.000 0.339 250 H C -0.248 174.941 175.328 -0.231 0.000 1.131 250 H CA -0.423 55.599 56.048 -0.044 0.000 1.301 250 H CB 0.750 30.429 29.762 -0.137 0.000 1.476 250 H HN 0.128 nan 8.280 nan 0.000 0.529 251 F N 2.122 121.949 119.950 -0.206 0.000 2.427 251 F HA 0.291 4.818 4.527 0.000 0.000 0.346 251 F C -0.428 175.149 175.800 -0.372 0.000 1.120 251 F CA -0.632 57.268 58.000 -0.167 0.000 1.033 251 F CB 0.817 39.792 39.000 -0.041 0.000 1.126 251 F HN 0.374 nan 8.300 nan 0.000 0.462 252 Y N 1.924 122.342 120.300 0.197 0.000 2.462 252 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 252 Y C -0.479 175.505 175.900 0.140 0.000 0.976 252 Y CA -1.535 56.670 58.100 0.175 0.000 1.044 252 Y CB 2.050 40.636 38.460 0.211 0.000 1.230 252 Y HN 0.376 nan 8.280 nan 0.000 0.455 253 V N 0.947 121.021 119.914 0.266 0.000 2.789 253 V HA 0.898 5.018 4.120 0.000 0.000 0.311 253 V C -1.214 175.006 176.094 0.210 0.000 1.073 253 V CA -1.162 61.230 62.300 0.152 0.000 0.921 253 V CB 1.618 33.454 31.823 0.021 0.000 1.009 253 V HN 0.741 nan 8.190 nan 0.000 0.426 254 F N 0.358 120.336 119.950 0.046 0.000 2.654 254 F HA 0.782 5.309 4.527 -0.000 0.000 0.308 254 F C -0.827 175.003 175.800 0.050 0.000 1.108 254 F CA -0.994 56.994 58.000 -0.019 0.000 0.957 254 F CB 1.135 40.065 39.000 -0.118 0.000 1.309 254 F HN 0.449 nan 8.300 nan 0.000 0.446 255 D N 1.710 122.220 120.400 0.184 0.000 2.424 255 D HA 0.296 4.936 4.640 0.000 0.000 0.244 255 D C 1.113 177.500 176.300 0.145 0.000 1.134 255 D CA 0.124 54.193 54.000 0.114 0.000 0.881 255 D CB 1.979 42.849 40.800 0.116 0.000 1.191 255 D HN 0.617 nan 8.370 nan 0.000 0.445 256 V N 0.105 120.028 119.914 0.015 0.000 3.621 256 V HA 0.286 4.406 4.120 0.000 0.000 0.263 256 V C 0.568 176.694 176.094 0.054 0.000 1.272 256 V CA 0.079 62.410 62.300 0.053 0.000 1.080 256 V CB -0.274 31.531 31.823 -0.031 0.000 0.816 256 V HN 0.245 nan 8.190 nan 0.000 0.451 257 L N 2.767 124.010 121.223 0.034 0.000 2.322 257 L HA 0.602 4.942 4.340 0.000 0.000 0.281 257 L C -0.255 176.639 176.870 0.040 0.000 1.014 257 L CA -0.736 54.120 54.840 0.028 0.000 0.815 257 L CB 1.731 43.795 42.059 0.010 0.000 1.247 257 L HN 0.310 nan 8.230 nan 0.000 0.421 258 D N 0.760 121.182 120.400 0.035 0.000 2.414 258 D HA -0.010 4.630 4.640 0.000 0.000 0.251 258 D C 0.811 177.126 176.300 0.026 0.000 1.252 258 D CA -0.498 53.523 54.000 0.035 0.000 0.999 258 D CB 0.603 41.421 40.800 0.030 0.000 1.093 258 D HN 0.533 nan 8.370 nan 0.000 0.515 259 Q N -0.665 119.149 119.800 0.024 0.000 2.197 259 Q HA -0.191 4.149 4.340 0.000 0.000 0.207 259 Q C 0.541 176.552 176.000 0.017 0.000 0.984 259 Q CA 1.972 57.787 55.803 0.020 0.000 0.869 259 Q CB -0.166 28.581 28.738 0.016 0.000 0.906 259 Q HN 0.502 nan 8.270 nan 0.000 0.426 260 D N -1.685 118.724 120.400 0.015 0.000 2.340 260 D HA 0.133 4.773 4.640 0.000 0.000 0.220 260 D C 0.868 177.176 176.300 0.014 0.000 1.039 260 D CA 0.869 54.877 54.000 0.014 0.000 0.866 260 D CB 0.498 41.304 40.800 0.011 0.000 0.913 260 D HN 0.479 nan 8.370 nan 0.000 0.523 261 G N 1.116 109.924 108.800 0.014 0.000 2.175 261 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 261 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 261 G C 0.053 174.952 174.900 -0.002 0.000 0.982 261 G CA -0.317 44.790 45.100 0.012 0.000 0.641 261 G HN 0.368 nan 8.290 nan 0.000 0.527 262 N N -0.108 118.588 118.700 -0.006 0.000 2.513 262 N HA 0.582 5.322 4.740 0.000 0.000 0.274 262 N C 0.562 176.062 175.510 -0.016 0.000 1.189 262 N CA -0.604 52.431 53.050 -0.026 0.000 0.975 262 N CB 1.092 39.566 38.487 -0.022 0.000 1.157 262 N HN 0.255 nan 8.380 nan 0.000 0.465 263 I N 1.464 122.015 120.570 -0.031 0.000 2.648 263 I HA -0.021 4.149 4.170 0.000 0.000 0.284 263 I C 0.231 176.359 176.117 0.018 0.000 1.153 263 I CA -0.445 60.853 61.300 -0.003 0.000 1.426 263 I CB 0.437 38.429 38.000 -0.012 0.000 1.381 263 I HN 0.202 nan 8.210 nan 0.000 0.571 264 V N 6.075 126.020 119.914 0.051 0.000 2.788 264 V HA -0.126 3.994 4.120 0.000 0.000 0.307 264 V C 0.846 176.965 176.094 0.041 0.000 1.069 264 V CA -0.098 62.241 62.300 0.065 0.000 1.173 264 V CB 0.396 32.298 31.823 0.132 0.000 0.925 264 V HN 0.789 nan 8.190 nan 0.000 0.492 265 N N 6.655 125.365 118.700 0.017 0.000 2.223 265 N HA -0.035 4.705 4.740 0.000 0.000 0.271 265 N C -1.540 173.963 175.510 -0.012 0.000 1.315 265 N CA -1.021 52.026 53.050 -0.006 0.000 0.835 265 N CB 1.029 39.503 38.487 -0.021 0.000 1.066 265 N HN 0.298 nan 8.380 nan 0.000 0.486 266 P HA -0.139 nan 4.420 nan 0.000 0.217 266 P C 1.407 178.684 177.300 -0.039 0.000 1.148 266 P CA 1.177 64.276 63.100 -0.001 0.000 0.828 266 P CB 0.187 31.891 31.700 0.006 0.000 0.783 267 L N -0.781 120.408 121.223 -0.057 0.000 2.201 267 L HA -0.146 4.194 4.340 0.000 0.000 0.212 267 L C 2.335 179.112 176.870 -0.155 0.000 1.105 267 L CA 1.413 56.201 54.840 -0.086 0.000 0.775 267 L CB -0.762 41.256 42.059 -0.069 0.000 0.913 267 L HN 0.053 nan 8.230 nan 0.000 0.440 268 E N 0.268 120.357 120.200 -0.186 0.000 2.076 268 E HA -0.129 4.221 4.350 0.000 0.000 0.190 268 E C 2.340 178.573 176.600 -0.612 0.000 0.979 268 E CA 0.792 56.965 56.400 -0.378 0.000 0.807 268 E CB 0.036 29.587 29.700 -0.248 0.000 0.761 268 E HN 0.449 nan 8.360 nan 0.000 0.454 269 I N 1.444 121.863 120.570 -0.252 0.000 2.163 269 I HA -0.347 3.823 4.170 0.000 0.000 0.243 269 I C 2.829 178.841 176.117 -0.174 0.000 1.085 269 I CA 1.294 62.538 61.300 -0.093 0.000 1.347 269 I CB -0.305 37.787 38.000 0.152 0.000 1.044 269 I HN 0.184 nan 8.210 nan 0.000 0.408 270 Q N 1.007 120.723 119.800 -0.138 0.000 2.077 270 Q HA -0.281 4.059 4.340 0.000 0.000 0.206 270 Q C 2.333 178.237 176.000 -0.160 0.000 0.989 270 Q CA 2.282 58.018 55.803 -0.111 0.000 0.853 270 Q CB -0.134 28.552 28.738 -0.088 0.000 0.907 270 Q HN 0.572 nan 8.270 nan 0.000 0.418 271 A N 0.163 122.831 122.820 -0.254 0.000 1.877 271 A HA -0.229 4.091 4.320 0.000 0.000 0.216 271 A C 1.598 179.070 177.584 -0.186 0.000 1.186 271 A CA 1.828 53.728 52.037 -0.228 0.000 0.620 271 A CB -1.032 17.799 19.000 -0.283 0.000 0.822 271 A HN 0.654 nan 8.150 nan 0.000 0.443 272 H N -0.599 118.279 119.070 -0.320 0.000 2.389 272 H HA 0.030 4.586 4.556 0.000 0.000 0.299 272 H C 1.938 177.058 175.328 -0.348 0.000 1.081 272 H CA 1.078 56.818 56.048 -0.513 0.000 1.345 272 H CB -0.123 28.929 29.762 -1.184 0.000 1.393 272 H HN 0.362 nan 8.280 nan 0.000 0.520 273 L N 0.710 121.837 121.223 -0.160 0.000 2.109 273 L HA -0.144 4.196 4.340 0.000 0.000 0.207 273 L C 2.579 179.424 176.870 -0.043 0.000 1.086 273 L CA 1.101 55.916 54.840 -0.042 0.000 0.760 273 L CB -0.263 41.816 42.059 0.032 0.000 0.910 273 L HN 0.218 nan 8.230 nan 0.000 0.437 274 K N -0.115 120.262 120.400 -0.038 0.000 2.057 274 K HA -0.276 4.044 4.320 0.000 0.000 0.207 274 K C 2.326 178.914 176.600 -0.020 0.000 1.049 274 K CA 1.691 57.959 56.287 -0.032 0.000 0.931 274 K CB -0.340 32.142 32.500 -0.030 0.000 0.714 274 K HN 0.138 nan 8.250 nan 0.000 0.440 275 Y N 1.534 121.762 120.300 -0.120 0.000 2.081 275 Y HA -0.273 4.278 4.550 0.000 0.000 0.280 275 Y C 1.837 177.634 175.900 -0.172 0.000 1.163 275 Y CA 2.113 60.141 58.100 -0.120 0.000 1.135 275 Y CB -0.244 38.151 38.460 -0.109 0.000 0.970 275 Y HN 0.048 nan 8.280 nan 0.000 0.498 276 I N -0.303 120.139 120.570 -0.213 0.000 2.226 276 I HA -0.319 3.851 4.170 0.000 0.000 0.245 276 I C 2.251 178.158 176.117 -0.350 0.000 1.100 276 I CA 1.282 62.281 61.300 -0.503 0.000 1.374 276 I CB -0.356 37.329 38.000 -0.525 0.000 1.057 276 I HN 0.261 nan 8.210 nan 0.000 0.413 277 L N -0.302 120.806 121.223 -0.192 0.000 2.275 277 L HA -0.128 4.212 4.340 0.000 0.000 0.215 277 L C 2.283 179.086 176.870 -0.111 0.000 1.119 277 L CA 0.794 55.564 54.840 -0.117 0.000 0.790 277 L CB -0.321 41.695 42.059 -0.071 0.000 0.919 277 L HN 0.137 nan 8.230 nan 0.000 0.443 278 S N -1.528 114.080 115.700 -0.154 0.000 2.562 278 S HA -0.046 4.424 4.470 0.000 0.000 0.221 278 S C 0.571 175.072 174.600 -0.165 0.000 0.975 278 S CA -0.080 58.036 58.200 -0.140 0.000 0.918 278 S CB -0.297 62.819 63.200 -0.139 0.000 0.772 278 S HN 0.330 nan 8.310 nan 0.000 0.531 279 D N 2.135 122.407 120.400 -0.213 0.000 2.417 279 D HA 0.066 4.706 4.640 0.000 0.000 0.250 279 D C 0.868 177.131 176.300 -0.061 0.000 1.166 279 D CA 0.167 54.069 54.000 -0.163 0.000 0.881 279 D CB 0.883 41.603 40.800 -0.133 0.000 1.164 279 D HN 0.211 nan 8.370 nan 0.000 0.467 280 S N 1.270 116.940 115.700 -0.050 0.000 2.540 280 S HA 0.103 4.573 4.470 0.000 0.000 0.218 280 S C 0.414 175.024 174.600 0.016 0.000 0.977 280 S CA -0.583 57.611 58.200 -0.009 0.000 0.918 280 S CB 0.020 63.212 63.200 -0.014 0.000 0.806 280 S HN 0.237 nan 8.310 nan 0.000 0.496 281 S N 5.058 120.756 115.700 -0.003 0.000 2.537 281 S HA 0.278 4.748 4.470 0.000 0.000 0.286 281 S C -1.970 172.735 174.600 0.174 0.000 1.299 281 S CA -0.621 57.594 58.200 0.025 0.000 1.067 281 S CB 0.187 63.299 63.200 -0.148 0.000 0.864 281 S HN 0.497 nan 8.310 nan 0.000 0.494 282 P HA 0.158 nan 4.420 nan 0.000 0.274 282 P C -0.456 176.984 177.300 0.234 0.000 1.256 282 P CA -0.585 62.615 63.100 0.167 0.000 0.795 282 P CB 0.331 32.088 31.700 0.095 0.000 1.038 283 V N 2.484 122.451 119.914 0.089 0.000 2.625 283 V HA -0.062 4.058 4.120 0.000 0.000 0.305 283 V C -1.654 174.423 176.094 -0.029 0.000 1.055 283 V CA -0.289 61.979 62.300 -0.054 0.000 1.209 283 V CB -1.259 30.541 31.823 -0.038 0.000 0.877 283 V HN 0.622 nan 8.190 nan 0.000 0.489 284 P HA -0.010 nan 4.420 nan 0.000 0.267 284 P C 0.970 178.264 177.300 -0.011 0.000 1.195 284 P CA 0.084 63.203 63.100 0.031 0.000 0.773 284 P CB 0.547 32.275 31.700 0.046 0.000 0.837 285 E N 0.370 120.556 120.200 -0.024 0.000 2.150 285 E HA -0.111 4.239 4.350 0.000 0.000 0.193 285 E C -0.226 176.029 176.600 -0.574 0.000 0.985 285 E CA 1.026 57.260 56.400 -0.276 0.000 0.814 285 E CB -0.009 29.542 29.700 -0.249 0.000 0.752 285 E HN 0.396 nan 8.360 nan 0.000 0.466 286 F N 0.581 120.572 119.950 0.069 0.000 2.691 286 F HA 0.324 4.852 4.527 0.000 0.000 0.371 286 F C -2.416 173.441 175.800 0.095 0.000 1.159 286 F CA -2.477 55.568 58.000 0.076 0.000 1.174 286 F CB 1.466 40.495 39.000 0.049 0.000 1.419 286 F HN -0.195 nan 8.300 nan 0.000 0.514 287 P HA 0.093 nan 4.420 nan 0.000 0.270 287 P C 0.951 178.360 177.300 0.182 0.000 1.242 287 P CA 0.053 63.244 63.100 0.153 0.000 0.768 287 P CB 1.281 32.979 31.700 -0.004 0.000 0.820 288 V N 3.454 123.452 119.914 0.141 0.000 2.594 288 V HA -0.251 3.869 4.120 0.000 0.000 0.253 288 V C 2.315 178.483 176.094 0.123 0.000 1.069 288 V CA 2.348 64.649 62.300 0.002 0.000 1.082 288 V CB -1.411 30.102 31.823 -0.516 0.000 0.680 288 V HN 0.605 nan 8.190 nan 0.000 0.469 289 A N -1.075 121.895 122.820 0.250 0.000 2.024 289 A HA -0.241 4.079 4.320 0.000 0.000 0.220 289 A C 2.014 179.486 177.584 -0.186 0.000 1.164 289 A CA 1.559 53.670 52.037 0.125 0.000 0.643 289 A CB -0.801 18.180 19.000 -0.031 0.000 0.806 289 A HN 0.606 nan 8.150 nan 0.000 0.451 290 Y N 0.048 120.252 120.300 -0.159 0.000 2.193 290 Y HA -0.251 4.299 4.550 -0.000 0.000 0.285 290 Y C 2.143 177.867 175.900 -0.294 0.000 1.166 290 Y CA 1.356 59.329 58.100 -0.212 0.000 1.181 290 Y CB -0.313 38.050 38.460 -0.162 0.000 0.976 290 Y HN 0.248 nan 8.280 nan 0.000 0.520 291 L N -0.592 120.441 121.223 -0.317 0.000 2.131 291 L HA -0.208 4.132 4.340 0.000 0.000 0.210 291 L C 2.469 178.623 176.870 -1.195 0.000 1.092 291 L CA 1.712 56.114 54.840 -0.729 0.000 0.759 291 L CB -1.023 40.412 42.059 -1.040 0.000 0.903 291 L HN 0.340 nan 8.230 nan 0.000 0.435 292 T N -3.970 109.932 114.554 -1.086 0.000 3.098 292 T HA -0.089 4.261 4.350 0.000 0.000 0.266 292 T C 1.745 176.313 174.700 -0.220 0.000 1.145 292 T CA 0.934 62.534 62.100 -0.833 0.000 1.092 292 T CB -0.267 68.155 68.868 -0.744 0.000 0.908 292 T HN 0.420 nan 8.240 nan 0.000 0.526 293 S N -0.637 114.997 115.700 -0.110 0.000 2.556 293 S HA 0.192 4.662 4.470 0.000 0.000 0.216 293 S C 0.635 175.236 174.600 0.003 0.000 0.970 293 S CA -0.566 57.626 58.200 -0.013 0.000 0.912 293 S CB -0.073 63.253 63.200 0.210 0.000 0.790 293 S HN 0.393 nan 8.310 nan 0.000 0.504 294 E N 3.020 123.194 120.200 -0.045 0.000 2.392 294 E HA 0.101 4.451 4.350 0.000 0.000 0.256 294 E C 0.169 176.824 176.600 0.091 0.000 1.145 294 E CA -0.279 56.141 56.400 0.032 0.000 0.929 294 E CB 0.316 30.043 29.700 0.045 0.000 0.998 294 E HN 0.463 nan 8.360 nan 0.000 0.442 295 N N 1.684 120.435 118.700 0.085 0.000 2.294 295 N HA -0.150 4.590 4.740 0.000 0.000 0.248 295 N C 0.685 176.286 175.510 0.151 0.000 1.242 295 N CA 0.211 53.319 53.050 0.095 0.000 0.848 295 N CB 0.559 39.083 38.487 0.062 0.000 1.084 295 N HN 0.244 nan 8.380 nan 0.000 0.457 296 R N 2.601 123.186 120.500 0.142 0.000 2.115 296 R HA -0.066 4.274 4.340 0.000 0.000 0.230 296 R C 1.020 177.388 176.300 0.114 0.000 1.111 296 R CA 0.942 57.137 56.100 0.159 0.000 0.976 296 R CB -0.560 29.807 30.300 0.111 0.000 0.870 296 R HN 0.663 nan 8.270 nan 0.000 0.445 297 D N 0.380 120.828 120.400 0.081 0.000 2.117 297 D HA -0.080 4.560 4.640 0.000 0.000 0.198 297 D C 2.023 178.368 176.300 0.075 0.000 0.982 297 D CA 0.866 54.898 54.000 0.054 0.000 0.828 297 D CB 0.018 40.840 40.800 0.036 0.000 0.967 297 D HN -0.049 nan 8.370 nan 0.000 0.464 298 V N 0.681 120.658 119.914 0.105 0.000 2.261 298 V HA -0.213 3.907 4.120 0.000 0.000 0.246 298 V C 2.222 178.449 176.094 0.222 0.000 1.047 298 V CA 1.536 63.912 62.300 0.127 0.000 1.015 298 V CB -0.661 31.226 31.823 0.107 0.000 0.642 298 V HN 0.412 nan 8.190 nan 0.000 0.446 299 W N 0.634 121.944 121.300 0.017 0.000 2.363 299 W HA -0.186 4.474 4.660 0.000 0.000 0.296 299 W C 2.391 178.925 176.519 0.024 0.000 1.212 299 W CA 0.924 58.281 57.345 0.019 0.000 1.260 299 W CB 0.006 29.474 29.460 0.015 0.000 1.131 299 W HN 0.299 nan 8.180 nan 0.000 0.530 300 A N 0.927 123.744 122.820 -0.005 0.000 1.908 300 A HA -0.262 4.058 4.320 0.000 0.000 0.218 300 A C 1.784 179.316 177.584 -0.088 0.000 1.181 300 A CA 1.986 53.936 52.037 -0.145 0.000 0.627 300 A CB -0.920 18.035 19.000 -0.074 0.000 0.818 300 A HN 0.470 nan 8.150 nan 0.000 0.445 301 E N -0.258 119.942 120.200 0.000 0.000 2.047 301 E HA -0.121 4.229 4.350 0.000 0.000 0.191 301 E C 2.008 178.628 176.600 0.033 0.000 0.987 301 E CA 1.137 57.541 56.400 0.006 0.000 0.799 301 E CB -0.309 29.403 29.700 0.020 0.000 0.752 301 E HN 0.629 nan 8.360 nan 0.000 0.449 302 L N 0.632 121.928 121.223 0.121 0.000 2.083 302 L HA -0.154 4.186 4.340 0.000 0.000 0.209 302 L C 2.764 179.746 176.870 0.187 0.000 1.083 302 L CA 0.922 55.881 54.840 0.198 0.000 0.752 302 L CB -0.352 41.908 42.059 0.335 0.000 0.899 302 L HN 0.068 nan 8.230 nan 0.000 0.433 303 R N 0.097 120.598 120.500 0.001 0.000 2.081 303 R HA -0.194 4.146 4.340 0.000 0.000 0.235 303 R C 2.322 178.591 176.300 -0.053 0.000 1.131 303 R CA 1.568 57.552 56.100 -0.193 0.000 0.960 303 R CB -0.104 29.764 30.300 -0.721 0.000 0.856 303 R HN 0.421 nan 8.270 nan 0.000 0.436 304 Q N 0.112 119.878 119.800 -0.056 0.000 2.096 304 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 304 Q C 2.048 178.091 176.000 0.072 0.000 0.982 304 Q CA 1.833 57.634 55.803 -0.004 0.000 0.850 304 Q CB 0.031 28.750 28.738 -0.030 0.000 0.901 304 Q HN 0.316 nan 8.270 nan 0.000 0.422 305 K N 0.385 120.828 120.400 0.071 0.000 2.097 305 K HA -0.128 4.192 4.320 0.000 0.000 0.206 305 K C 2.112 178.833 176.600 0.201 0.000 1.049 305 K CA 0.904 57.270 56.287 0.132 0.000 0.933 305 K CB -0.146 32.403 32.500 0.081 0.000 0.717 305 K HN 0.200 nan 8.250 nan 0.000 0.442 306 L N 1.010 122.333 121.223 0.167 0.000 2.042 306 L HA -0.229 4.111 4.340 0.000 0.000 0.210 306 L C 2.374 179.333 176.870 0.148 0.000 1.076 306 L CA 0.900 55.848 54.840 0.180 0.000 0.749 306 L CB -0.412 41.783 42.059 0.228 0.000 0.893 306 L HN 0.182 nan 8.230 nan 0.000 0.432 307 I N -0.744 119.900 120.570 0.123 0.000 2.179 307 I HA -0.332 3.838 4.170 0.000 0.000 0.242 307 I C 2.542 178.726 176.117 0.112 0.000 1.088 307 I CA 1.680 63.033 61.300 0.089 0.000 1.357 307 I CB -1.062 36.974 38.000 0.061 0.000 1.051 307 I HN 0.212 nan 8.210 nan 0.000 0.409 308 F N 2.432 122.385 119.950 0.006 0.000 2.154 308 F HA -0.258 4.269 4.527 -0.000 0.000 0.301 308 F C 1.823 177.627 175.800 0.007 0.000 1.087 308 F CA 1.762 59.764 58.000 0.004 0.000 1.274 308 F CB -0.291 38.712 39.000 0.004 0.000 1.009 308 F HN 0.131 nan 8.300 nan 0.000 0.485 309 D N 0.038 120.473 120.400 0.058 0.000 2.325 309 D HA 0.165 4.805 4.640 0.000 0.000 0.234 309 D C 1.629 177.899 176.300 -0.050 0.000 1.122 309 D CA 0.983 54.960 54.000 -0.037 0.000 0.850 309 D CB -0.377 40.470 40.800 0.077 0.000 0.921 309 D HN 0.465 nan 8.370 nan 0.000 0.513 310 G N 1.405 110.171 108.800 -0.058 0.000 2.132 310 G HA2 -0.313 3.647 3.960 0.000 0.000 0.228 310 G HA3 -0.313 3.647 3.960 0.000 0.000 0.228 310 G C 0.679 175.555 174.900 -0.040 0.000 1.000 310 G CA -0.104 44.960 45.100 -0.060 0.000 0.693 310 G HN 0.347 nan 8.290 nan 0.000 0.515 311 N N -0.330 118.369 118.700 -0.001 0.000 2.236 311 N HA 0.222 4.962 4.740 0.000 0.000 0.196 311 N C 1.533 177.029 175.510 -0.023 0.000 1.114 311 N CA 0.447 53.493 53.050 -0.006 0.000 0.859 311 N CB 0.159 38.721 38.487 0.124 0.000 0.982 311 N HN 0.560 nan 8.380 nan 0.000 0.493 312 E N 1.648 121.835 120.200 -0.022 0.000 2.086 312 E HA -0.312 4.038 4.350 0.000 0.000 0.200 312 E C 1.647 178.207 176.600 -0.066 0.000 1.012 312 E CA 1.317 57.696 56.400 -0.035 0.000 0.812 312 E CB 0.108 29.790 29.700 -0.031 0.000 0.743 312 E HN 0.401 nan 8.360 nan 0.000 0.453 313 E N -0.885 119.266 120.200 -0.083 0.000 2.077 313 E HA -0.167 4.183 4.350 0.000 0.000 0.193 313 E C 1.942 178.454 176.600 -0.148 0.000 0.989 313 E CA 1.676 58.016 56.400 -0.100 0.000 0.800 313 E CB 0.052 29.693 29.700 -0.099 0.000 0.746 313 E HN 0.240 nan 8.360 nan 0.000 0.452 314 T N 1.354 115.779 114.554 -0.214 0.000 2.777 314 T HA -0.110 4.240 4.350 0.000 0.000 0.266 314 T C 1.905 176.439 174.700 -0.276 0.000 1.040 314 T CA 0.894 62.782 62.100 -0.354 0.000 1.141 314 T CB -0.170 68.306 68.868 -0.654 0.000 0.868 314 T HN 0.138 nan 8.240 nan 0.000 0.444 315 L N 0.649 121.791 121.223 -0.135 0.000 2.042 315 L HA -0.136 4.204 4.340 0.000 0.000 0.210 315 L C 2.745 179.576 176.870 -0.066 0.000 1.076 315 L CA 1.222 56.052 54.840 -0.017 0.000 0.749 315 L CB -0.448 41.650 42.059 0.066 0.000 0.893 315 L HN 0.145 nan 8.230 nan 0.000 0.432 316 K N 0.325 120.671 120.400 -0.090 0.000 2.147 316 K HA -0.161 4.159 4.320 0.000 0.000 0.205 316 K C 2.033 178.641 176.600 0.013 0.000 1.049 316 K CA 1.190 57.431 56.287 -0.077 0.000 0.936 316 K CB -0.143 32.327 32.500 -0.051 0.000 0.722 316 K HN 0.391 nan 8.250 nan 0.000 0.446 317 K N 0.619 121.003 120.400 -0.026 0.000 2.057 317 K HA -0.066 4.254 4.320 0.000 0.000 0.206 317 K C 2.216 178.900 176.600 0.141 0.000 1.050 317 K CA 0.930 57.232 56.287 0.025 0.000 0.935 317 K CB -0.137 32.265 32.500 -0.163 0.000 0.715 317 K HN -0.120 nan 8.250 nan 0.000 0.439 318 V N 2.206 122.103 119.914 -0.028 0.000 2.237 318 V HA -0.265 3.855 4.120 0.000 0.000 0.245 318 V C 1.633 177.705 176.094 -0.036 0.000 1.046 318 V CA 2.023 64.251 62.300 -0.119 0.000 1.007 318 V CB -0.470 31.123 31.823 -0.383 0.000 0.638 318 V HN 0.277 nan 8.190 nan 0.000 0.445 319 D N 0.698 121.113 120.400 0.025 0.000 2.133 319 D HA -0.141 4.499 4.640 0.000 0.000 0.195 319 D C 2.246 178.700 176.300 0.257 0.000 0.997 319 D CA 2.008 56.080 54.000 0.119 0.000 0.840 319 D CB -0.285 40.429 40.800 -0.144 0.000 0.947 319 D HN 0.623 nan 8.370 nan 0.000 0.452 320 S N -0.728 115.125 115.700 0.255 0.000 2.556 320 S HA 0.422 4.892 4.470 0.000 0.000 0.216 320 S C 0.860 175.449 174.600 -0.019 0.000 0.970 320 S CA -0.174 58.200 58.200 0.290 0.000 0.912 320 S CB 0.146 63.572 63.200 0.377 0.000 0.790 320 S HN 0.233 nan 8.310 nan 0.000 0.504 321 A N 1.893 124.623 122.820 -0.150 0.000 2.466 321 A HA 0.483 4.803 4.320 0.000 0.000 0.238 321 A C 1.717 179.138 177.584 -0.271 0.000 1.074 321 A CA 0.006 51.758 52.037 -0.474 0.000 0.774 321 A CB 0.059 18.868 19.000 -0.318 0.000 1.015 321 A HN 0.969 nan 8.150 nan 0.000 0.498 322 V N -0.114 119.612 119.914 -0.313 0.000 2.324 322 V HA 0.038 4.158 4.120 0.000 0.000 0.250 322 V C 0.745 176.936 176.094 0.162 0.000 1.060 322 V CA 2.020 64.305 62.300 -0.026 0.000 1.042 322 V CB -1.875 29.946 31.823 -0.003 0.000 0.650 322 V HN 1.372 nan 8.190 nan 0.000 0.450 323 F N -3.093 116.762 119.950 -0.158 0.000 3.122 323 F HA 0.693 5.219 4.527 -0.000 0.000 0.325 323 F C -0.870 174.783 175.800 -0.245 0.000 1.162 323 F CA -1.311 56.449 58.000 -0.399 0.000 0.876 323 F CB 0.990 39.452 39.000 -0.897 0.000 1.429 323 F HN -0.057 nan 8.300 nan 0.000 0.484 324 C N 2.651 121.938 119.300 -0.022 0.000 2.298 324 C HA 0.808 5.268 4.460 0.000 0.000 0.323 324 C C -0.679 174.431 174.990 0.200 0.000 1.284 324 C CA -0.657 58.368 59.018 0.012 0.000 1.577 324 C CB -0.147 27.640 27.740 0.078 0.000 2.249 324 C HN 0.806 nan 8.230 nan 0.000 0.497 325 L N 7.409 128.694 121.223 0.103 0.000 2.282 325 L HA 0.646 4.986 4.340 0.000 0.000 0.288 325 L C -0.552 176.392 176.870 0.123 0.000 1.033 325 L CA 0.252 55.231 54.840 0.232 0.000 0.807 325 L CB 0.651 42.830 42.059 0.199 0.000 1.209 325 L HN 0.793 nan 8.230 nan 0.000 0.423 326 C N 6.091 125.465 119.300 0.122 0.000 2.319 326 C HA 0.528 4.988 4.460 0.000 0.000 0.323 326 C C -0.056 174.949 174.990 0.025 0.000 1.277 326 C CA -1.039 58.001 59.018 0.036 0.000 1.517 326 C CB 0.378 28.116 27.740 -0.003 0.000 2.206 326 C HN 0.677 nan 8.230 nan 0.000 0.486 327 L N 3.768 124.991 121.223 -0.001 0.000 2.277 327 L HA 0.376 4.716 4.340 0.000 0.000 0.284 327 L C -0.565 176.250 176.870 -0.092 0.000 1.028 327 L CA 0.009 54.832 54.840 -0.029 0.000 0.835 327 L CB 0.574 42.629 42.059 -0.007 0.000 1.215 327 L HN 0.595 nan 8.230 nan 0.000 0.425 328 D N 2.119 122.399 120.400 -0.199 0.000 2.210 328 D HA 0.172 4.812 4.640 0.000 0.000 0.249 328 D C -0.153 175.908 176.300 -0.398 0.000 1.062 328 D CA -0.193 53.568 54.000 -0.400 0.000 0.891 328 D CB 1.762 42.079 40.800 -0.806 0.000 1.186 328 D HN 0.370 nan 8.370 nan 0.000 0.432 329 D N 2.542 122.791 120.400 -0.251 0.000 3.179 329 D HA 0.182 4.822 4.640 0.000 0.000 0.267 329 D C -0.379 175.976 176.300 0.091 0.000 1.348 329 D CA -0.175 53.790 54.000 -0.058 0.000 0.897 329 D CB -0.336 40.495 40.800 0.051 0.000 1.062 329 D HN 0.271 nan 8.370 nan 0.000 0.494 330 F N -1.534 118.450 119.950 0.058 0.000 2.665 330 F HA 0.556 5.083 4.527 -0.000 0.000 0.308 330 F C -3.077 172.779 175.800 0.094 0.000 1.112 330 F CA -2.306 55.742 58.000 0.079 0.000 0.972 330 F CB 0.955 40.021 39.000 0.110 0.000 1.295 330 F HN -0.317 nan 8.300 nan 0.000 0.440 334 D N -1.111 119.405 120.400 0.193 0.000 2.792 334 D HA 0.175 4.815 4.640 0.000 0.000 0.335 334 D C 0.410 176.807 176.300 0.162 0.000 1.353 334 D CA -0.844 53.242 54.000 0.143 0.000 0.839 334 D CB 0.288 41.152 40.800 0.106 0.000 1.396 334 D HN -0.104 nan 8.370 nan 0.000 0.479 335 L N -0.138 121.160 121.223 0.124 0.000 2.131 335 L HA -0.006 4.334 4.340 0.000 0.000 0.210 335 L C 2.105 179.048 176.870 0.121 0.000 1.092 335 L CA 0.991 55.903 54.840 0.120 0.000 0.759 335 L CB -0.506 41.617 42.059 0.107 0.000 0.903 335 L HN 0.428 nan 8.230 nan 0.000 0.435 336 I N -1.016 119.637 120.570 0.138 0.000 2.202 336 I HA -0.306 3.864 4.170 0.000 0.000 0.242 336 I C 2.633 178.900 176.117 0.251 0.000 1.091 336 I CA 1.171 62.566 61.300 0.158 0.000 1.368 336 I CB -0.407 37.701 38.000 0.180 0.000 1.058 336 I HN 0.264 nan 8.210 nan 0.000 0.410 337 H N 1.337 120.496 119.070 0.148 0.000 2.321 337 H HA -0.179 4.377 4.556 0.001 0.000 0.300 337 H C 2.099 177.494 175.328 0.112 0.000 1.087 337 H CA 1.754 57.888 56.048 0.143 0.000 1.319 337 H CB -0.289 29.532 29.762 0.098 0.000 1.379 337 H HN 0.224 nan 8.280 nan 0.000 0.501 338 L N -0.509 120.722 121.223 0.014 0.000 1.990 338 L HA -0.259 4.081 4.340 0.000 0.000 0.213 338 L C 2.385 179.131 176.870 -0.207 0.000 1.072 338 L CA 1.997 56.783 54.840 -0.090 0.000 0.755 338 L CB -0.523 41.552 42.059 0.027 0.000 0.889 338 L HN 0.286 nan 8.230 nan 0.000 0.432 339 S N -1.206 114.430 115.700 -0.107 0.000 2.359 339 S HA -0.218 4.252 4.470 0.000 0.000 0.224 339 S C 1.814 176.242 174.600 -0.286 0.000 1.035 339 S CA 1.129 59.238 58.200 -0.151 0.000 1.018 339 S CB -0.589 62.638 63.200 0.046 0.000 0.876 339 S HN 0.546 nan 8.310 nan 0.000 0.448 340 H N 1.210 120.179 119.070 -0.168 0.000 2.353 340 H HA 0.024 4.580 4.556 -0.000 0.000 0.300 340 H C 1.219 176.177 175.328 -0.617 0.000 1.090 340 H CA 1.210 57.039 56.048 -0.365 0.000 1.327 340 H CB -0.736 28.976 29.762 -0.083 0.000 1.383 340 H HN 0.324 nan 8.280 nan 0.000 0.508 344 H N -2.273 116.994 119.070 0.329 0.000 3.412 344 H HA 0.723 5.279 4.556 -0.000 0.000 0.233 344 H C 1.109 176.761 175.328 0.540 0.000 0.953 344 H CA 0.448 56.761 56.048 0.442 0.000 1.049 344 H CB -0.115 29.801 29.762 0.257 0.000 1.406 344 H HN 0.438 nan 8.280 nan 0.000 0.557 345 G N 1.512 110.442 108.800 0.216 0.000 2.575 345 G HA2 -0.366 3.594 3.960 0.000 0.000 0.267 345 G HA3 -0.366 3.594 3.960 0.000 0.000 0.267 345 G C 0.443 175.669 174.900 0.543 0.000 1.264 345 G CA 0.669 45.941 45.100 0.286 0.000 0.935 345 G HN 0.781 nan 8.290 nan 0.000 0.568 346 D N 0.138 120.722 120.400 0.307 0.000 2.369 346 D HA 0.407 5.047 4.640 0.000 0.000 0.211 346 D C 1.730 177.964 176.300 -0.109 0.000 1.077 346 D CA 1.200 55.361 54.000 0.269 0.000 0.842 346 D CB -0.081 40.805 40.800 0.144 0.000 0.947 346 D HN 2.215 nan 8.370 nan 0.000 0.509 347 G N 0.178 108.736 108.800 -0.404 0.000 2.213 347 G HA2 -0.352 3.608 3.960 0.000 0.000 0.236 347 G HA3 -0.352 3.608 3.960 0.000 0.000 0.236 347 G C 1.215 175.422 174.900 -1.155 0.000 0.991 347 G CA 0.833 45.245 45.100 -1.147 0.000 0.629 347 G HN 0.614 nan 8.290 nan 0.000 0.517 348 T N -3.048 111.013 114.554 -0.821 0.000 3.051 348 T HA 0.250 4.600 4.350 0.000 0.000 0.255 348 T C 1.173 175.621 174.700 -0.421 0.000 1.085 348 T CA 1.360 63.050 62.100 -0.684 0.000 1.109 348 T CB 0.100 68.719 68.868 -0.415 0.000 0.921 348 T HN 0.333 nan 8.240 nan 0.000 0.488 349 N N 0.821 119.314 118.700 -0.345 0.000 2.433 349 N HA 0.170 4.910 4.740 0.000 0.000 0.270 349 N C -0.965 174.358 175.510 -0.312 0.000 1.354 349 N CA -0.311 52.576 53.050 -0.272 0.000 0.889 349 N CB 0.390 38.788 38.487 -0.148 0.000 1.285 349 N HN 0.143 nan 8.380 nan 0.000 0.503 350 R N 0.562 120.771 120.500 -0.486 0.000 2.621 350 R HA 0.185 4.526 4.340 0.000 0.000 0.284 350 R C -1.264 174.695 176.300 -0.568 0.000 0.998 350 R CA -0.498 55.216 56.100 -0.644 0.000 0.895 350 R CB 1.456 30.968 30.300 -1.313 0.000 1.195 350 R HN 0.239 nan 8.270 nan 0.000 0.450 351 W N 5.416 126.457 121.300 -0.432 0.000 2.289 351 W HA 0.166 4.826 4.660 -0.000 0.000 0.342 351 W C -0.501 175.990 176.519 -0.047 0.000 0.958 351 W CA -0.624 56.613 57.345 -0.180 0.000 1.492 351 W CB 0.225 29.697 29.460 0.020 0.000 1.336 351 W HN 0.593 nan 8.180 nan 0.000 0.371 352 F N 1.762 121.619 119.950 -0.154 0.000 2.269 352 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 352 F C 1.993 177.864 175.800 0.118 0.000 1.082 352 F CA 1.346 59.367 58.000 0.036 0.000 1.360 352 F CB -0.407 38.612 39.000 0.031 0.000 1.041 352 F HN 0.153 nan 8.300 nan 0.000 0.512 353 D N 0.060 120.523 120.400 0.106 0.000 2.224 353 D HA -0.090 4.550 4.640 0.000 0.000 0.205 353 D C 1.112 177.626 176.300 0.357 0.000 0.965 353 D CA 0.704 54.842 54.000 0.230 0.000 0.852 353 D CB -0.223 40.690 40.800 0.189 0.000 0.947 353 D HN 0.082 nan 8.370 nan 0.000 0.494 354 K N 0.702 121.359 120.400 0.428 0.000 2.414 354 K HA -0.021 4.299 4.320 0.000 0.000 0.272 354 K C 1.451 178.243 176.600 0.321 0.000 0.993 354 K CA 0.154 56.673 56.287 0.387 0.000 0.964 354 K CB 0.755 33.476 32.500 0.369 0.000 0.925 354 K HN -0.094 nan 8.250 nan 0.000 0.487 355 S N 3.280 119.060 115.700 0.133 0.000 2.389 355 S HA -0.195 4.275 4.470 0.000 0.000 0.231 355 S C 0.493 175.451 174.600 0.597 0.000 1.052 355 S CA 1.451 59.689 58.200 0.063 0.000 1.053 355 S CB -0.932 61.914 63.200 -0.589 0.000 0.886 355 S HN 0.604 nan 8.310 nan 0.000 0.456 356 F N -1.385 118.726 119.950 0.267 0.000 2.703 356 F HA 0.639 5.166 4.527 -0.000 0.000 0.308 356 F C -1.482 174.526 175.800 0.347 0.000 1.126 356 F CA -1.427 56.786 58.000 0.355 0.000 0.959 356 F CB 0.912 40.044 39.000 0.219 0.000 1.297 356 F HN -0.181 nan 8.300 nan 0.000 0.441 357 N N 2.379 121.404 118.700 0.542 0.000 2.417 357 N HA 0.448 5.188 4.740 0.000 0.000 0.274 357 N C -1.822 174.029 175.510 0.568 0.000 0.987 357 N CA -0.586 52.707 53.050 0.405 0.000 0.912 357 N CB 2.581 41.232 38.487 0.274 0.000 1.177 357 N HN 0.701 nan 8.380 nan 0.000 0.490 358 L N 4.498 126.063 121.223 0.569 0.000 2.260 358 L HA 0.507 4.847 4.340 0.000 0.000 0.289 358 L C -0.833 176.271 176.870 0.390 0.000 1.057 358 L CA -0.180 54.995 54.840 0.558 0.000 0.811 358 L CB 0.286 42.697 42.059 0.587 0.000 1.184 358 L HN 0.407 nan 8.230 nan 0.000 0.429 359 I N 5.590 126.360 120.570 0.333 0.000 2.377 359 I HA 0.494 4.664 4.170 0.000 0.000 0.293 359 I C -0.812 175.404 176.117 0.165 0.000 0.987 359 I CA -0.723 60.694 61.300 0.196 0.000 1.185 359 I CB 1.856 39.937 38.000 0.135 0.000 1.341 359 I HN 0.241 nan 8.210 nan 0.000 0.455 360 V N 5.463 125.429 119.914 0.087 0.000 2.482 360 V HA 0.663 4.783 4.120 0.000 0.000 0.295 360 V C 0.213 176.285 176.094 -0.037 0.000 1.026 360 V CA -0.553 61.779 62.300 0.054 0.000 0.856 360 V CB 1.416 33.281 31.823 0.070 0.000 1.001 360 V HN 0.864 nan 8.190 nan 0.000 0.424 361 A N 2.781 125.565 122.820 -0.061 0.000 2.239 361 A HA 0.567 4.887 4.320 0.000 0.000 0.303 361 A C 1.137 178.660 177.584 -0.101 0.000 1.114 361 A CA -0.184 51.754 52.037 -0.165 0.000 0.871 361 A CB 0.605 19.504 19.000 -0.168 0.000 1.201 361 A HN 0.885 nan 8.150 nan 0.000 0.506 362 E N -0.484 119.644 120.200 -0.121 0.000 2.268 362 E HA -0.203 4.147 4.350 0.000 0.000 0.195 362 E C 0.230 176.830 176.600 -0.000 0.000 0.995 362 E CA 1.545 57.917 56.400 -0.046 0.000 0.836 362 E CB -0.053 29.635 29.700 -0.019 0.000 0.763 362 E HN 0.723 nan 8.360 nan 0.000 0.491 363 D N -1.541 118.870 120.400 0.018 0.000 2.328 363 D HA 0.110 4.750 4.640 0.000 0.000 0.221 363 D C 1.171 177.497 176.300 0.043 0.000 1.072 363 D CA 0.625 54.650 54.000 0.041 0.000 0.850 363 D CB 0.302 41.141 40.800 0.065 0.000 0.922 363 D HN 0.244 nan 8.370 nan 0.000 0.516 364 G N -0.246 108.572 108.800 0.030 0.000 2.179 364 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 364 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 364 G C 0.466 175.407 174.900 0.069 0.000 0.977 364 G CA 0.291 45.416 45.100 0.042 0.000 0.641 364 G HN 0.434 nan 8.290 nan 0.000 0.533 365 T N 1.426 116.026 114.554 0.076 0.000 2.871 365 T HA 0.494 4.844 4.350 0.000 0.000 0.296 365 T C 0.503 175.283 174.700 0.133 0.000 0.998 365 T CA 1.061 63.228 62.100 0.112 0.000 1.162 365 T CB 1.319 70.244 68.868 0.094 0.000 0.947 365 T HN 1.554 nan 8.240 nan 0.000 0.536 366 A N 2.177 125.137 122.820 0.234 0.000 2.414 366 A HA 0.918 5.238 4.320 0.000 0.000 0.306 366 A C -0.491 177.416 177.584 0.538 0.000 1.054 366 A CA -0.663 51.577 52.037 0.338 0.000 0.724 366 A CB 1.688 20.849 19.000 0.268 0.000 1.267 366 A HN 1.134 nan 8.150 nan 0.000 0.418 367 A N 0.460 123.572 122.820 0.486 0.000 2.593 367 A HA 0.763 5.083 4.320 0.000 0.000 0.290 367 A C -1.514 176.362 177.584 0.487 0.000 1.126 367 A CA -0.474 51.831 52.037 0.447 0.000 0.695 367 A CB 1.215 20.406 19.000 0.318 0.000 1.290 367 A HN 1.417 nan 8.150 nan 0.000 0.414 368 V N 2.448 122.641 119.914 0.465 0.000 2.378 368 V HA 0.372 4.492 4.120 0.000 0.000 0.288 368 V C -0.415 176.013 176.094 0.558 0.000 1.016 368 V CA -0.478 62.128 62.300 0.509 0.000 0.840 368 V CB 1.238 33.300 31.823 0.398 0.000 0.994 368 V HN 0.908 nan 8.190 nan 0.000 0.431 369 H N 6.204 125.565 119.070 0.484 0.000 2.467 369 H HA 0.606 5.162 4.556 -0.000 0.000 0.326 369 H C -1.298 174.357 175.328 0.544 0.000 1.094 369 H CA -0.512 55.805 56.048 0.449 0.000 1.253 369 H CB 1.573 31.551 29.762 0.360 0.000 1.439 369 H HN 0.591 nan 8.280 nan 0.000 0.479 370 F N 2.060 122.038 119.950 0.047 0.000 2.613 370 F HA 0.406 4.933 4.527 -0.000 0.000 0.314 370 F C -0.616 175.296 175.800 0.188 0.000 1.075 370 F CA -1.216 56.938 58.000 0.257 0.000 0.945 370 F CB 1.275 40.423 39.000 0.247 0.000 1.310 370 F HN 0.299 nan 8.300 nan 0.000 0.467 371 E N 1.386 121.912 120.200 0.544 0.000 2.229 371 E HA 0.062 4.412 4.350 0.000 0.000 0.283 371 E C -0.254 176.485 176.600 0.232 0.000 1.030 371 E CA 0.001 56.640 56.400 0.400 0.000 0.836 371 E CB 0.670 30.704 29.700 0.556 0.000 1.068 371 E HN 0.889 nan 8.360 nan 0.000 0.401 372 H N 2.676 121.704 119.070 -0.070 0.000 2.512 372 H HA -0.017 4.539 4.556 0.000 0.000 0.279 372 H C 1.876 176.979 175.328 -0.376 0.000 0.999 372 H CA 1.640 57.545 56.048 -0.238 0.000 1.283 372 H CB 0.359 30.041 29.762 -0.132 0.000 1.421 372 H HN 0.464 nan 8.280 nan 0.000 0.554 373 S N 0.450 116.055 115.700 -0.158 0.000 2.423 373 S HA -0.117 4.353 4.470 0.000 0.000 0.231 373 S C 2.096 176.681 174.600 -0.025 0.000 1.014 373 S CA 0.859 58.921 58.200 -0.229 0.000 0.965 373 S CB -0.804 62.422 63.200 0.044 0.000 0.785 373 S HN 0.731 nan 8.310 nan 0.000 0.495 374 W N 1.806 123.148 121.300 0.070 0.000 2.770 374 W HA 0.501 5.161 4.660 -0.000 0.000 0.256 374 W C 0.521 177.153 176.519 0.188 0.000 1.291 374 W CA 0.090 57.526 57.345 0.152 0.000 1.396 374 W CB -0.691 28.799 29.460 0.051 0.000 1.114 374 W HN 0.449 nan 8.180 nan 0.000 0.637 375 G N 0.398 108.939 108.800 -0.432 0.000 2.606 375 G HA2 0.114 4.074 3.960 0.000 0.000 0.300 375 G HA3 0.114 4.074 3.960 0.000 0.000 0.300 375 G C -0.779 173.828 174.900 -0.489 0.000 1.360 375 G CA -0.446 44.408 45.100 -0.410 0.000 0.783 375 G HN -0.084 nan 8.290 nan 0.000 0.484 376 D N -0.066 120.138 120.400 -0.327 0.000 2.342 376 D HA 0.241 4.881 4.640 0.000 0.000 0.221 376 D C 1.748 177.949 176.300 -0.165 0.000 1.101 376 D CA 0.986 54.864 54.000 -0.204 0.000 0.837 376 D CB 0.592 41.295 40.800 -0.163 0.000 0.938 376 D HN 1.230 nan 8.370 nan 0.000 0.508 377 G N 0.832 109.428 108.800 -0.340 0.000 2.184 377 G HA2 -0.372 3.588 3.960 0.000 0.000 0.264 377 G HA3 -0.372 3.588 3.960 0.000 0.000 0.264 377 G C 1.337 176.004 174.900 -0.389 0.000 0.975 377 G CA 0.534 45.370 45.100 -0.440 0.000 0.642 377 G HN 0.341 nan 8.290 nan 0.000 0.536 378 V N 0.806 120.565 119.914 -0.258 0.000 2.358 378 V HA 0.032 4.152 4.120 0.000 0.000 0.246 378 V C 3.250 179.186 176.094 -0.264 0.000 1.047 378 V CA 2.762 64.970 62.300 -0.153 0.000 1.035 378 V CB -1.174 30.658 31.823 0.015 0.000 0.658 378 V HN 0.949 nan 8.190 nan 0.000 0.452 379 A N 0.394 122.887 122.820 -0.545 0.000 1.903 379 A HA -0.215 4.105 4.320 0.000 0.000 0.219 379 A C 2.405 179.692 177.584 -0.494 0.000 1.191 379 A CA 2.531 53.988 52.037 -0.967 0.000 0.638 379 A CB -0.879 17.621 19.000 -0.833 0.000 0.823 379 A HN 0.364 nan 8.150 nan 0.000 0.451 380 V N -0.439 119.181 119.914 -0.488 0.000 2.295 380 V HA -0.247 3.873 4.120 0.000 0.000 0.246 380 V C 2.476 178.387 176.094 -0.305 0.000 1.049 380 V CA 1.972 63.954 62.300 -0.530 0.000 1.024 380 V CB -0.961 30.250 31.823 -1.020 0.000 0.648 380 V HN 0.565 nan 8.190 nan 0.000 0.447 381 L N 0.362 121.405 121.223 -0.299 0.000 2.046 381 L HA -0.147 4.193 4.340 0.000 0.000 0.208 381 L C 2.553 179.430 176.870 0.012 0.000 1.077 381 L CA 2.079 56.824 54.840 -0.160 0.000 0.747 381 L CB -0.747 41.214 42.059 -0.163 0.000 0.896 381 L HN 0.250 nan 8.230 nan 0.000 0.432 382 R N -0.750 119.770 120.500 0.032 0.000 2.073 382 R HA -0.242 4.098 4.340 0.000 0.000 0.234 382 R C 2.234 178.625 176.300 0.151 0.000 1.134 382 R CA 2.146 58.363 56.100 0.197 0.000 0.952 382 R CB -1.257 29.274 30.300 0.384 0.000 0.850 382 R HN 0.448 nan 8.270 nan 0.000 0.433 383 F N 0.101 119.849 119.950 -0.337 0.000 2.065 383 F HA -0.209 4.318 4.527 0.000 0.000 0.298 383 F C 1.905 177.506 175.800 -0.332 0.000 1.112 383 F CA 1.964 59.419 58.000 -0.909 0.000 1.212 383 F CB -0.898 37.471 39.000 -1.050 0.000 0.975 383 F HN 0.116 nan 8.300 nan 0.000 0.476 384 F N 1.670 121.428 119.950 -0.319 0.000 2.063 384 F HA -0.348 4.179 4.527 -0.000 0.000 0.298 384 F C 2.313 178.104 175.800 -0.015 0.000 1.109 384 F CA 2.397 60.267 58.000 -0.217 0.000 1.212 384 F CB -0.765 38.087 39.000 -0.246 0.000 0.973 384 F HN 0.014 nan 8.300 nan 0.000 0.480 385 N N 0.398 119.243 118.700 0.242 0.000 2.084 385 N HA -0.165 4.575 4.740 0.000 0.000 0.190 385 N C 1.774 177.401 175.510 0.196 0.000 1.030 385 N CA 1.592 54.790 53.050 0.247 0.000 0.849 385 N CB -0.580 38.040 38.487 0.222 0.000 1.012 385 N HN 0.372 nan 8.380 nan 0.000 0.423 386 E N 0.591 120.887 120.200 0.159 0.000 2.077 386 E HA -0.069 4.281 4.350 0.000 0.000 0.193 386 E C 2.180 178.813 176.600 0.056 0.000 0.989 386 E CA 0.519 57.029 56.400 0.183 0.000 0.800 386 E CB -0.476 29.482 29.700 0.430 0.000 0.746 386 E HN 0.128 nan 8.360 nan 0.000 0.452 387 V N 1.251 121.083 119.914 -0.137 0.000 2.358 387 V HA -0.219 3.902 4.120 0.000 0.000 0.246 387 V C 2.151 178.126 176.094 -0.197 0.000 1.047 387 V CA 1.600 63.742 62.300 -0.263 0.000 1.035 387 V CB -0.581 30.851 31.823 -0.652 0.000 0.658 387 V HN 0.125 nan 8.190 nan 0.000 0.452 388 F N 1.276 121.092 119.950 -0.224 0.000 2.095 388 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 388 F C 2.631 178.362 175.800 -0.115 0.000 1.104 388 F CA 2.326 60.208 58.000 -0.196 0.000 1.232 388 F CB -0.356 38.639 39.000 -0.007 0.000 0.987 388 F HN -0.055 nan 8.300 nan 0.000 0.475 389 R N 0.110 120.594 120.500 -0.027 0.000 2.070 389 R HA -0.207 4.133 4.340 0.000 0.000 0.233 389 R C 2.091 178.293 176.300 -0.163 0.000 1.137 389 R CA 2.207 58.249 56.100 -0.097 0.000 0.945 389 R CB -0.833 29.506 30.300 0.064 0.000 0.845 389 R HN 0.385 nan 8.270 nan 0.000 0.430 390 D N -0.314 120.028 120.400 -0.097 0.000 2.097 390 D HA -0.140 4.500 4.640 0.000 0.000 0.195 390 D C 1.933 178.151 176.300 -0.138 0.000 0.989 390 D CA 1.914 55.868 54.000 -0.076 0.000 0.827 390 D CB 0.016 40.809 40.800 -0.012 0.000 0.966 390 D HN 0.333 nan 8.370 nan 0.000 0.456 391 S N -1.385 114.192 115.700 -0.206 0.000 2.423 391 S HA -0.157 4.313 4.470 0.000 0.000 0.231 391 S C 2.034 176.467 174.600 -0.279 0.000 1.014 391 S CA 1.682 59.749 58.200 -0.220 0.000 0.965 391 S CB -0.829 62.212 63.200 -0.266 0.000 0.785 391 S HN 0.442 nan 8.310 nan 0.000 0.495 392 T N -1.200 113.106 114.554 -0.414 0.000 3.039 392 T HA 0.193 4.543 4.350 0.000 0.000 0.250 392 T C 1.853 176.339 174.700 -0.358 0.000 1.052 392 T CA 0.202 62.022 62.100 -0.467 0.000 1.125 392 T CB -0.302 68.135 68.868 -0.717 0.000 0.908 392 T HN 0.441 nan 8.240 nan 0.000 0.473 393 Q N 0.778 120.417 119.800 -0.269 0.000 2.339 393 Q HA 0.150 4.490 4.340 0.000 0.000 0.205 393 Q C 0.382 176.304 176.000 -0.129 0.000 0.925 393 Q CA 0.809 56.506 55.803 -0.177 0.000 0.898 393 Q CB 0.615 29.283 28.738 -0.117 0.000 1.013 393 Q HN 0.436 nan 8.270 nan 0.000 0.504 394 T N 2.013 116.499 114.554 -0.114 0.000 3.741 394 T HA 0.215 4.565 4.350 0.000 0.000 0.242 394 T C -2.658 172.014 174.700 -0.046 0.000 1.042 394 T CA -0.910 61.154 62.100 -0.060 0.000 1.278 394 T CB 0.793 69.647 68.868 -0.025 0.000 0.994 394 T HN 0.067 nan 8.240 nan 0.000 0.594 395 P HA 0.245 nan 4.420 nan 0.000 0.268 395 P C 0.846 178.171 177.300 0.041 0.000 1.205 395 P CA -0.045 63.059 63.100 0.006 0.000 0.771 395 P CB 1.019 32.773 31.700 0.090 0.000 0.858 396 A N 4.341 127.184 122.820 0.037 0.000 1.929 396 A HA 0.014 4.334 4.320 0.000 0.000 0.216 396 A C 1.344 178.949 177.584 0.035 0.000 1.176 396 A CA 1.232 53.288 52.037 0.031 0.000 0.628 396 A CB -0.804 18.213 19.000 0.028 0.000 0.816 396 A HN 0.723 nan 8.150 nan 0.000 0.444 397 I N -3.948 116.650 120.570 0.047 0.000 3.002 397 I HA 0.682 4.852 4.170 0.000 0.000 0.310 397 I C -0.152 175.981 176.117 0.026 0.000 1.087 397 I CA -0.520 60.792 61.300 0.019 0.000 1.017 397 I CB 2.260 40.249 38.000 -0.018 0.000 1.226 397 I HN 0.065 nan 8.210 nan 0.000 0.443 398 T N -0.654 113.863 114.554 -0.062 0.000 2.948 398 T HA 0.578 4.928 4.350 0.000 0.000 0.285 398 T C -2.170 172.310 174.700 -0.367 0.000 1.019 398 T CA -1.978 59.974 62.100 -0.247 0.000 1.013 398 T CB 1.508 70.305 68.868 -0.119 0.000 1.117 398 T HN 0.512 nan 8.240 nan 0.000 0.533 399 P HA 0.034 nan 4.420 nan 0.000 0.225 399 P C 0.821 177.999 177.300 -0.202 0.000 1.148 399 P CA 0.780 63.659 63.100 -0.367 0.000 0.779 399 P CB 0.047 31.510 31.700 -0.395 0.000 0.780 400 Q N -1.564 118.133 119.800 -0.171 0.000 2.282 400 Q HA 0.180 4.520 4.340 0.000 0.000 0.206 400 Q C 0.302 176.254 176.000 -0.081 0.000 0.878 400 Q CA 0.053 55.795 55.803 -0.102 0.000 0.944 400 Q CB -0.136 28.557 28.738 -0.076 0.000 1.100 400 Q HN 0.029 nan 8.270 nan 0.000 0.509 401 S N 1.853 117.498 115.700 -0.091 0.000 2.552 401 S HA 0.045 4.515 4.470 0.000 0.000 0.289 401 S C -0.043 174.520 174.600 -0.061 0.000 1.304 401 S CA -0.031 58.129 58.200 -0.067 0.000 1.063 401 S CB 0.360 63.521 63.200 -0.065 0.000 0.848 401 S HN 0.153 nan 8.310 nan 0.000 0.499 402 Q N 2.879 122.649 119.800 -0.051 0.000 2.303 402 Q HA 0.347 4.687 4.340 0.000 0.000 0.257 402 Q C -2.382 173.584 176.000 -0.056 0.000 0.941 402 Q CA -2.378 53.395 55.803 -0.049 0.000 0.931 402 Q CB 0.608 29.322 28.738 -0.040 0.000 1.215 402 Q HN 0.363 nan 8.270 nan 0.000 0.437 403 P HA 0.016 nan 4.420 nan 0.000 0.269 403 P C -0.699 176.553 177.300 -0.081 0.000 1.209 403 P CA -0.042 63.010 63.100 -0.081 0.000 0.776 403 P CB 0.521 32.171 31.700 -0.084 0.000 0.876 404 A N 2.931 125.690 122.820 -0.102 0.000 2.540 404 A HA 0.344 4.664 4.320 0.000 0.000 0.239 404 A C 0.753 178.289 177.584 -0.081 0.000 1.061 404 A CA 0.158 52.141 52.037 -0.090 0.000 0.758 404 A CB -0.557 18.377 19.000 -0.109 0.000 0.991 404 A HN 0.591 nan 8.150 nan 0.000 0.502 405 A N 3.277 126.063 122.820 -0.055 0.000 2.770 405 A HA 0.486 4.806 4.320 0.000 0.000 0.292 405 A C 0.636 178.194 177.584 -0.042 0.000 1.604 405 A CA 0.870 52.882 52.037 -0.043 0.000 1.271 405 A CB -0.818 18.163 19.000 -0.031 0.000 1.075 405 A HN 1.110 nan 8.150 nan 0.000 0.573 406 T N 0.940 115.465 114.554 -0.048 0.000 2.887 406 T HA 0.462 4.812 4.350 0.000 0.000 0.292 406 T C -0.562 174.119 174.700 -0.031 0.000 1.087 406 T CA -0.759 61.321 62.100 -0.033 0.000 1.009 406 T CB 1.138 69.991 68.868 -0.026 0.000 1.203 406 T HN 0.528 nan 8.240 nan 0.000 0.518 407 N N 1.419 120.099 118.700 -0.033 0.000 2.678 407 N HA 0.337 5.077 4.740 0.000 0.000 0.231 407 N C 0.749 176.171 175.510 -0.147 0.000 1.038 407 N CA -0.179 52.829 53.050 -0.069 0.000 0.932 407 N CB 0.512 38.966 38.487 -0.054 0.000 1.176 407 N HN 0.407 nan 8.380 nan 0.000 0.511 408 S N 0.795 116.346 115.700 -0.248 0.000 2.428 408 S HA -0.138 4.332 4.470 0.000 0.000 0.230 408 S C 1.886 175.970 174.600 -0.859 0.000 1.014 408 S CA 1.055 58.930 58.200 -0.541 0.000 0.957 408 S CB -0.207 62.614 63.200 -0.633 0.000 0.784 408 S HN 0.791 nan 8.310 nan 0.000 0.499 409 S N 2.357 117.655 115.700 -0.670 0.000 2.402 409 S HA -0.084 4.386 4.470 0.000 0.000 0.233 409 S C 1.902 176.385 174.600 -0.195 0.000 1.030 409 S CA 0.942 58.949 58.200 -0.321 0.000 1.003 409 S CB -0.479 62.714 63.200 -0.011 0.000 0.813 409 S HN 0.528 nan 8.310 nan 0.000 0.477 410 A N 1.068 123.771 122.820 -0.194 0.000 1.975 410 A HA 0.229 4.549 4.320 0.000 0.000 0.215 410 A C 2.348 179.832 177.584 -0.168 0.000 1.170 410 A CA 1.225 53.181 52.037 -0.135 0.000 0.656 410 A CB -0.653 18.290 19.000 -0.095 0.000 0.821 410 A HN 0.526 nan 8.150 nan 0.000 0.449 411 S N -1.017 114.514 115.700 -0.282 0.000 2.458 411 S HA 0.148 4.618 4.470 0.000 0.000 0.223 411 S C 0.421 174.834 174.600 -0.312 0.000 1.019 411 S CA 0.292 58.290 58.200 -0.337 0.000 0.937 411 S CB 0.163 63.003 63.200 -0.600 0.000 0.788 411 S HN 0.194 nan 8.310 nan 0.000 0.511 412 V N 2.685 122.401 119.914 -0.330 0.000 2.357 412 V HA 0.337 4.457 4.120 0.000 0.000 0.284 412 V C -0.145 175.978 176.094 0.047 0.000 1.018 412 V CA -0.871 61.377 62.300 -0.087 0.000 0.841 412 V CB 1.357 33.127 31.823 -0.089 0.000 0.991 412 V HN 0.274 nan 8.190 nan 0.000 0.437 413 E N 3.312 123.561 120.200 0.081 0.000 2.229 413 E HA 0.304 4.654 4.350 0.000 0.000 0.283 413 E C -0.532 176.146 176.600 0.130 0.000 1.030 413 E CA -0.458 55.979 56.400 0.063 0.000 0.836 413 E CB 1.003 30.691 29.700 -0.019 0.000 1.068 413 E HN 0.668 nan 8.360 nan 0.000 0.401 414 T N 5.856 120.473 114.554 0.105 0.000 2.727 414 T HA 0.244 4.595 4.350 0.000 0.000 0.298 414 T C 0.319 174.972 174.700 -0.078 0.000 0.942 414 T CA -0.487 61.610 62.100 -0.005 0.000 0.997 414 T CB 0.096 68.960 68.868 -0.008 0.000 0.917 414 T HN 0.406 nan 8.240 nan 0.000 0.487 415 L N 2.521 123.677 121.223 -0.111 0.000 2.467 415 L HA 0.428 4.768 4.340 0.000 0.000 0.270 415 L C 0.848 177.597 176.870 -0.203 0.000 1.205 415 L CA -0.287 54.436 54.840 -0.195 0.000 0.828 415 L CB 0.636 42.536 42.059 -0.266 0.000 1.101 415 L HN 0.543 nan 8.230 nan 0.000 0.479 416 S N 1.338 116.850 115.700 -0.315 0.000 2.614 416 S HA 0.615 5.085 4.470 0.000 0.000 0.288 416 S C -0.963 173.427 174.600 -0.350 0.000 1.137 416 S CA -0.596 57.483 58.200 -0.200 0.000 0.992 416 S CB 0.631 63.772 63.200 -0.100 0.000 1.026 416 S HN 0.297 nan 8.310 nan 0.000 0.486 417 F N 3.471 123.365 119.950 -0.095 0.000 2.421 417 F HA 0.424 4.951 4.527 0.000 0.000 0.337 417 F C 0.749 176.529 175.800 -0.034 0.000 1.105 417 F CA -0.813 57.138 58.000 -0.081 0.000 1.049 417 F CB 1.148 40.093 39.000 -0.093 0.000 1.139 417 F HN 0.580 nan 8.300 nan 0.000 0.479 418 N N 4.338 123.113 118.700 0.126 0.000 2.448 418 N HA 0.220 4.960 4.740 0.000 0.000 0.250 418 N C -1.331 174.236 175.510 0.095 0.000 1.136 418 N CA -0.001 53.096 53.050 0.078 0.000 0.953 418 N CB 0.110 38.613 38.487 0.026 0.000 1.251 418 N HN 0.542 nan 8.380 nan 0.000 0.502 419 L N 2.634 123.901 121.223 0.073 0.000 2.257 419 L HA 0.324 4.664 4.340 0.000 0.000 0.290 419 L C 0.779 177.638 176.870 -0.019 0.000 1.044 419 L CA -0.754 54.102 54.840 0.027 0.000 0.810 419 L CB 0.891 42.946 42.059 -0.007 0.000 1.193 419 L HN 0.560 nan 8.230 nan 0.000 0.425 420 S N 1.722 117.419 115.700 -0.006 0.000 2.624 420 S HA 0.248 4.718 4.470 0.000 0.000 0.263 420 S C 1.379 175.935 174.600 -0.074 0.000 1.287 420 S CA -0.112 58.081 58.200 -0.012 0.000 0.990 420 S CB 1.520 64.746 63.200 0.043 0.000 0.950 420 S HN 0.723 nan 8.310 nan 0.000 0.561 421 G N 0.544 109.308 108.800 -0.061 0.000 2.469 421 G HA2 -0.090 3.870 3.960 0.000 0.000 0.220 421 G HA3 -0.090 3.870 3.960 0.000 0.000 0.220 421 G C 1.509 176.356 174.900 -0.090 0.000 1.136 421 G CA 0.899 45.946 45.100 -0.088 0.000 0.759 421 G HN 1.130 nan 8.290 nan 0.000 0.562 422 A N 0.088 122.882 122.820 -0.044 0.000 1.929 422 A HA 0.231 4.551 4.320 0.000 0.000 0.216 422 A C 2.393 179.956 177.584 -0.036 0.000 1.176 422 A CA 1.084 53.104 52.037 -0.030 0.000 0.628 422 A CB -0.308 18.689 19.000 -0.005 0.000 0.816 422 A HN 0.341 nan 8.150 nan 0.000 0.444 423 L N -0.632 120.568 121.223 -0.040 0.000 2.093 423 L HA -0.143 4.197 4.340 0.000 0.000 0.208 423 L C 2.473 179.266 176.870 -0.129 0.000 1.085 423 L CA 1.454 56.272 54.840 -0.037 0.000 0.755 423 L CB -0.185 41.875 42.059 0.002 0.000 0.904 423 L HN 0.312 nan 8.230 nan 0.000 0.435 424 K N -0.619 119.605 120.400 -0.293 0.000 2.097 424 K HA -0.110 4.210 4.320 0.000 0.000 0.205 424 K C 2.161 178.584 176.600 -0.294 0.000 1.050 424 K CA 1.183 57.072 56.287 -0.663 0.000 0.938 424 K CB -0.232 31.553 32.500 -1.192 0.000 0.718 424 K HN 0.306 nan 8.250 nan 0.000 0.442 425 A N 1.152 123.885 122.820 -0.146 0.000 1.898 425 A HA -0.077 4.244 4.320 0.000 0.000 0.216 425 A C 2.402 179.985 177.584 -0.001 0.000 1.181 425 A CA 1.853 53.871 52.037 -0.031 0.000 0.620 425 A CB -1.121 17.864 19.000 -0.025 0.000 0.819 425 A HN 0.415 nan 8.150 nan 0.000 0.442 426 G N -0.036 108.759 108.800 -0.009 0.000 2.418 426 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 426 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 426 G C 1.516 176.423 174.900 0.012 0.000 1.158 426 G CA 1.101 46.208 45.100 0.013 0.000 0.771 426 G HN 0.467 nan 8.290 nan 0.000 0.545 427 I N 0.861 121.449 120.570 0.030 0.000 2.226 427 I HA -0.161 4.009 4.170 0.000 0.000 0.245 427 I C 3.000 179.112 176.117 -0.008 0.000 1.100 427 I CA 1.422 62.758 61.300 0.059 0.000 1.374 427 I CB -0.406 37.705 38.000 0.186 0.000 1.057 427 I HN 0.087 nan 8.210 nan 0.000 0.413 428 T N 0.727 115.332 114.554 0.085 0.000 2.684 428 T HA -0.198 4.152 4.350 0.000 0.000 0.267 428 T C 2.047 176.706 174.700 -0.068 0.000 1.036 428 T CA 1.587 63.697 62.100 0.017 0.000 1.148 428 T CB -0.370 68.578 68.868 0.134 0.000 0.863 428 T HN 0.485 nan 8.240 nan 0.000 0.436 429 A N 1.305 124.107 122.820 -0.031 0.000 1.933 429 A HA 0.192 4.512 4.320 0.000 0.000 0.218 429 A C 2.631 180.182 177.584 -0.055 0.000 1.175 429 A CA 1.765 53.781 52.037 -0.035 0.000 0.628 429 A CB -1.032 17.963 19.000 -0.010 0.000 0.814 429 A HN 0.508 nan 8.150 nan 0.000 0.444 430 A N 0.002 122.779 122.820 -0.072 0.000 1.902 430 A HA -0.185 4.135 4.320 0.000 0.000 0.217 430 A C 2.137 179.635 177.584 -0.144 0.000 1.181 430 A CA 2.033 54.030 52.037 -0.067 0.000 0.623 430 A CB -0.474 18.497 19.000 -0.049 0.000 0.818 430 A HN 0.565 nan 8.150 nan 0.000 0.443 431 K N -0.233 119.892 120.400 -0.458 0.000 2.057 431 K HA -0.219 4.101 4.320 0.000 0.000 0.207 431 K C 2.085 178.570 176.600 -0.191 0.000 1.049 431 K CA 1.742 57.598 56.287 -0.717 0.000 0.931 431 K CB -0.205 31.684 32.500 -1.019 0.000 0.714 431 K HN 0.624 nan 8.250 nan 0.000 0.440 432 E N 0.864 120.985 120.200 -0.131 0.000 2.038 432 E HA -0.261 4.089 4.350 0.000 0.000 0.195 432 E C 2.075 178.671 176.600 -0.007 0.000 1.000 432 E CA 1.520 57.891 56.400 -0.050 0.000 0.803 432 E CB -0.024 29.649 29.700 -0.046 0.000 0.750 432 E HN 0.240 nan 8.360 nan 0.000 0.448 433 K N -0.176 120.224 120.400 0.000 0.000 2.032 433 K HA -0.207 4.113 4.320 0.000 0.000 0.209 433 K C 2.127 178.745 176.600 0.031 0.000 1.048 433 K CA 1.542 57.833 56.287 0.006 0.000 0.927 433 K CB -0.376 32.129 32.500 0.009 0.000 0.712 433 K HN 0.176 nan 8.250 nan 0.000 0.441 434 F N 2.266 122.187 119.950 -0.049 0.000 2.102 434 F HA -0.229 4.297 4.527 -0.000 0.000 0.298 434 F C 1.792 177.581 175.800 -0.019 0.000 1.105 434 F CA 1.942 59.936 58.000 -0.009 0.000 1.239 434 F CB -0.147 38.916 39.000 0.104 0.000 0.991 434 F HN 0.132 nan 8.300 nan 0.000 0.474 435 D N -0.388 120.157 120.400 0.241 0.000 2.144 435 D HA -0.150 4.490 4.640 0.000 0.000 0.200 435 D C 2.428 178.716 176.300 -0.020 0.000 0.978 435 D CA 2.100 56.182 54.000 0.137 0.000 0.833 435 D CB -0.764 40.115 40.800 0.133 0.000 0.961 435 D HN 0.452 nan 8.370 nan 0.000 0.470 436 T N -2.082 112.451 114.554 -0.035 0.000 2.857 436 T HA -0.076 4.274 4.350 0.000 0.000 0.266 436 T C 2.046 176.686 174.700 -0.100 0.000 1.048 436 T CA 1.448 63.513 62.100 -0.058 0.000 1.139 436 T CB -0.667 68.173 68.868 -0.047 0.000 0.874 436 T HN -0.055 nan 8.240 nan 0.000 0.455 437 T N 2.049 116.513 114.554 -0.149 0.000 2.674 437 T HA -0.036 4.314 4.350 0.000 0.000 0.265 437 T C 2.144 176.725 174.700 -0.199 0.000 1.039 437 T CA 1.300 63.286 62.100 -0.190 0.000 1.150 437 T CB -0.736 67.990 68.868 -0.237 0.000 0.864 437 T HN 0.206 nan 8.240 nan 0.000 0.427 438 V N 1.629 121.327 119.914 -0.359 0.000 2.392 438 V HA -0.212 3.908 4.120 0.000 0.000 0.249 438 V C 2.502 178.484 176.094 -0.186 0.000 1.059 438 V CA 1.562 63.610 62.300 -0.421 0.000 1.051 438 V CB -0.550 30.835 31.823 -0.730 0.000 0.658 438 V HN 0.471 nan 8.190 nan 0.000 0.455 439 K N 0.160 120.487 120.400 -0.123 0.000 2.160 439 K HA -0.212 4.109 4.320 0.000 0.000 0.206 439 K C 2.074 178.666 176.600 -0.014 0.000 1.047 439 K CA 1.969 58.222 56.287 -0.058 0.000 0.930 439 K CB -0.369 32.105 32.500 -0.043 0.000 0.720 439 K HN 0.746 nan 8.250 nan 0.000 0.450 440 T N -1.178 113.379 114.554 0.005 0.000 3.113 440 T HA 0.034 4.384 4.350 0.000 0.000 0.256 440 T C 0.525 175.315 174.700 0.151 0.000 1.131 440 T CA -0.129 62.014 62.100 0.072 0.000 1.074 440 T CB 0.054 68.960 68.868 0.063 0.000 0.944 440 T HN -0.062 nan 8.240 nan 0.000 0.516 441 L N 2.378 123.673 121.223 0.120 0.000 2.264 441 L HA 0.576 4.916 4.340 0.000 0.000 0.289 441 L C -0.691 176.280 176.870 0.169 0.000 1.044 441 L CA -0.125 54.769 54.840 0.090 0.000 0.807 441 L CB 1.365 43.457 42.059 0.055 0.000 1.192 441 L HN 0.054 nan 8.230 nan 0.000 0.425 442 S N 5.737 121.486 115.700 0.082 0.000 2.532 442 S HA 0.770 5.240 4.470 0.000 0.000 0.301 442 S C -0.581 174.033 174.600 0.024 0.000 1.083 442 S CA -0.500 57.775 58.200 0.125 0.000 1.025 442 S CB 1.419 64.676 63.200 0.095 0.000 1.056 442 S HN 0.498 nan 8.310 nan 0.000 0.494 443 I N 1.768 122.350 120.570 0.020 0.000 2.686 443 I HA 0.576 4.746 4.170 0.000 0.000 0.295 443 I C -0.956 175.154 176.117 -0.012 0.000 1.114 443 I CA -0.529 60.719 61.300 -0.086 0.000 1.038 443 I CB 2.360 40.196 38.000 -0.274 0.000 1.238 443 I HN 0.473 nan 8.210 nan 0.000 0.420 444 D N 2.016 122.402 120.400 -0.023 0.000 2.665 444 D HA 0.624 5.264 4.640 0.000 0.000 0.287 444 D C -1.531 174.766 176.300 -0.006 0.000 1.266 444 D CA -0.040 53.960 54.000 0.000 0.000 0.830 444 D CB 2.588 43.386 40.800 -0.003 0.000 1.356 444 D HN 0.605 nan 8.370 nan 0.000 0.437 445 S N -0.479 115.229 115.700 0.014 0.000 2.607 445 S HA 0.852 5.322 4.470 0.000 0.000 0.273 445 S C -0.732 173.896 174.600 0.046 0.000 1.148 445 S CA -0.813 57.411 58.200 0.040 0.000 0.833 445 S CB 1.492 64.740 63.200 0.080 0.000 1.130 445 S HN 0.534 nan 8.310 nan 0.000 0.470 446 I N -1.480 119.142 120.570 0.087 0.000 2.865 446 I HA 0.779 4.949 4.170 0.000 0.000 0.302 446 I C -1.812 174.434 176.117 0.214 0.000 1.140 446 I CA -1.128 60.240 61.300 0.113 0.000 1.021 446 I CB 2.253 40.306 38.000 0.090 0.000 1.233 446 I HN 0.511 nan 8.210 nan 0.000 0.427 447 Q N 4.151 124.074 119.800 0.205 0.000 2.401 447 Q HA 0.418 4.759 4.340 0.000 0.000 0.260 447 Q C -1.284 174.872 176.000 0.260 0.000 1.034 447 Q CA -0.255 55.735 55.803 0.312 0.000 0.737 447 Q CB 1.730 30.499 28.738 0.051 0.000 1.227 447 Q HN 0.622 nan 8.270 nan 0.000 0.488 448 F N 2.139 122.204 119.950 0.191 0.000 2.444 448 F HA 0.183 4.710 4.527 0.000 0.000 0.360 448 F C 0.633 176.479 175.800 0.077 0.000 1.106 448 F CA 0.352 58.382 58.000 0.049 0.000 1.170 448 F CB 0.776 39.752 39.000 -0.040 0.000 1.113 448 F HN 0.553 nan 8.300 nan 0.000 0.521 449 Q N 4.106 123.562 119.800 -0.573 0.000 2.281 449 Q HA 0.173 4.513 4.340 0.000 0.000 0.215 449 Q C 1.853 177.550 176.000 -0.505 0.000 0.867 449 Q CA -0.038 55.551 55.803 -0.355 0.000 0.940 449 Q CB 0.378 28.967 28.738 -0.249 0.000 1.111 449 Q HN 0.728 nan 8.270 nan 0.000 0.513 450 R N 0.081 119.951 120.500 -1.050 0.000 2.152 450 R HA -0.021 4.319 4.340 0.000 0.000 0.232 450 R C 0.626 176.695 176.300 -0.385 0.000 1.117 450 R CA 1.144 56.798 56.100 -0.743 0.000 0.981 450 R CB 0.215 29.976 30.300 -0.898 0.000 0.870 450 R HN 0.181 nan 8.270 nan 0.000 0.451 451 G N -2.610 106.014 108.800 -0.294 0.000 2.322 451 G HA2 0.404 4.364 3.960 0.000 0.000 0.295 451 G HA3 0.404 4.364 3.960 0.000 0.000 0.295 451 G C -0.942 174.196 174.900 0.397 0.000 1.369 451 G CA -0.467 44.754 45.100 0.200 0.000 0.821 451 G HN 0.240 nan 8.290 nan 0.000 0.536 452 G N -0.899 108.197 108.800 0.493 0.000 3.255 452 G HA2 0.467 4.427 3.960 0.000 0.000 0.161 452 G HA3 0.467 4.427 3.960 0.000 0.000 0.161 452 G C 0.896 176.003 174.900 0.346 0.000 1.173 452 G CA 0.756 46.104 45.100 0.414 0.000 1.106 452 G HN 0.807 nan 8.290 nan 0.000 0.650 453 K N 0.145 120.662 120.400 0.195 0.000 2.063 453 K HA -0.077 4.243 4.320 0.000 0.000 0.208 453 K C 2.223 178.893 176.600 0.117 0.000 1.048 453 K CA 2.050 58.409 56.287 0.120 0.000 0.928 453 K CB -0.012 32.525 32.500 0.062 0.000 0.713 453 K HN 0.344 nan 8.250 nan 0.000 0.442 454 E N -0.061 120.230 120.200 0.152 0.000 2.072 454 E HA -0.186 4.164 4.350 0.000 0.000 0.191 454 E C 1.893 178.574 176.600 0.134 0.000 0.985 454 E CA 0.931 57.407 56.400 0.126 0.000 0.801 454 E CB -0.356 29.426 29.700 0.137 0.000 0.750 454 E HN 0.345 nan 8.360 nan 0.000 0.452 455 F N 1.791 121.788 119.950 0.079 0.000 2.134 455 F HA -0.150 4.377 4.527 0.001 0.000 0.299 455 F C 2.131 177.902 175.800 -0.048 0.000 1.097 455 F CA 1.176 59.199 58.000 0.039 0.000 1.264 455 F CB -0.209 38.856 39.000 0.110 0.000 1.001 455 F HN -0.106 nan 8.300 nan 0.000 0.479 456 L N -0.038 121.128 121.223 -0.094 0.000 2.093 456 L HA -0.181 4.159 4.340 0.000 0.000 0.208 456 L C 2.427 179.162 176.870 -0.225 0.000 1.085 456 L CA 1.370 56.063 54.840 -0.244 0.000 0.755 456 L CB -0.689 41.332 42.059 -0.062 0.000 0.904 456 L HN 0.041 nan 8.230 nan 0.000 0.435 457 K N -0.093 120.234 120.400 -0.121 0.000 2.057 457 K HA -0.137 4.183 4.320 0.000 0.000 0.207 457 K C 2.170 178.690 176.600 -0.134 0.000 1.049 457 K CA 0.935 57.164 56.287 -0.097 0.000 0.931 457 K CB 0.011 32.487 32.500 -0.040 0.000 0.714 457 K HN 0.101 nan 8.250 nan 0.000 0.440 458 K N 0.939 121.238 120.400 -0.169 0.000 2.103 458 K HA -0.122 4.198 4.320 0.000 0.000 0.207 458 K C 1.484 177.939 176.600 -0.240 0.000 1.048 458 K CA 1.145 57.323 56.287 -0.182 0.000 0.930 458 K CB 0.012 32.403 32.500 -0.182 0.000 0.716 458 K HN 0.034 nan 8.250 nan 0.000 0.444 459 K N 1.175 121.353 120.400 -0.370 0.000 2.505 459 K HA 0.010 4.330 4.320 0.000 0.000 0.192 459 K C 0.008 176.482 176.600 -0.210 0.000 1.025 459 K CA 0.117 56.202 56.287 -0.337 0.000 1.086 459 K CB 0.245 32.441 32.500 -0.506 0.000 0.840 459 K HN 0.108 nan 8.250 nan 0.000 0.514 460 Q N -0.522 119.178 119.800 -0.167 0.000 2.502 460 Q HA -0.183 4.157 4.340 0.000 0.000 0.273 460 Q C -0.555 175.379 176.000 -0.111 0.000 1.127 460 Q CA 0.786 56.521 55.803 -0.114 0.000 0.952 460 Q CB -2.473 26.211 28.738 -0.090 0.000 1.333 460 Q HN 0.342 nan 8.270 nan 0.000 0.494 461 L N -0.276 120.870 121.223 -0.129 0.000 2.342 461 L HA 0.541 4.881 4.340 0.000 0.000 0.271 461 L C 0.719 177.541 176.870 -0.081 0.000 1.008 461 L CA -0.791 53.981 54.840 -0.113 0.000 0.818 461 L CB 1.904 43.877 42.059 -0.145 0.000 1.296 461 L HN 0.075 nan 8.230 nan 0.000 0.427 462 S N 2.232 117.899 115.700 -0.056 0.000 2.465 462 S HA 0.207 4.677 4.470 0.000 0.000 0.280 462 S C -1.691 172.888 174.600 -0.035 0.000 1.232 462 S CA -1.079 57.107 58.200 -0.023 0.000 1.066 462 S CB 0.864 64.076 63.200 0.020 0.000 0.929 462 S HN 0.370 nan 8.310 nan 0.000 0.494 463 P HA -0.110 nan 4.420 nan 0.000 0.216 463 P C 0.970 178.267 177.300 -0.005 0.000 1.153 463 P CA 1.108 64.206 63.100 -0.002 0.000 0.858 463 P CB 0.072 31.786 31.700 0.022 0.000 0.789 464 D N -0.822 119.601 120.400 0.037 0.000 2.144 464 D HA -0.147 4.493 4.640 0.000 0.000 0.199 464 D C 1.896 178.126 176.300 -0.117 0.000 0.984 464 D CA 1.431 55.484 54.000 0.088 0.000 0.834 464 D CB -0.594 40.318 40.800 0.186 0.000 0.955 464 D HN -0.007 nan 8.370 nan 0.000 0.465 465 A N -0.379 122.333 122.820 -0.180 0.000 1.930 465 A HA -0.065 4.255 4.320 0.000 0.000 0.217 465 A C 2.455 179.810 177.584 -0.381 0.000 1.175 465 A CA 1.247 53.007 52.037 -0.462 0.000 0.627 465 A CB -0.609 18.276 19.000 -0.191 0.000 0.815 465 A HN 0.202 nan 8.150 nan 0.000 0.443 466 V N -0.104 119.654 119.914 -0.259 0.000 2.307 466 V HA -0.229 3.891 4.120 0.000 0.000 0.245 466 V C 3.067 178.921 176.094 -0.400 0.000 1.045 466 V CA 1.835 63.978 62.300 -0.261 0.000 1.024 466 V CB -1.235 30.496 31.823 -0.153 0.000 0.651 466 V HN 0.605 nan 8.190 nan 0.000 0.449 467 A N -0.659 121.896 122.820 -0.442 0.000 1.883 467 A HA -0.281 4.039 4.320 0.000 0.000 0.217 467 A C 2.186 178.948 177.584 -1.370 0.000 1.186 467 A CA 1.867 53.403 52.037 -0.835 0.000 0.624 467 A CB -0.541 18.073 19.000 -0.643 0.000 0.822 467 A HN 0.541 nan 8.150 nan 0.000 0.444 468 Q N -0.972 118.311 119.800 -0.863 0.000 2.124 468 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 468 Q C 2.134 177.872 176.000 -0.437 0.000 0.977 468 Q CA 1.518 56.980 55.803 -0.569 0.000 0.850 468 Q CB -0.659 27.859 28.738 -0.367 0.000 0.901 468 Q HN 0.626 nan 8.270 nan 0.000 0.429 469 L N 0.835 121.803 121.223 -0.425 0.000 2.012 469 L HA -0.126 4.214 4.340 0.000 0.000 0.210 469 L C 2.181 178.860 176.870 -0.319 0.000 1.073 469 L CA 2.259 56.925 54.840 -0.291 0.000 0.748 469 L CB -0.947 40.948 42.059 -0.273 0.000 0.891 469 L HN 0.122 nan 8.230 nan 0.000 0.431 470 A N -0.633 121.892 122.820 -0.491 0.000 1.908 470 A HA -0.216 4.104 4.320 0.000 0.000 0.218 470 A C 2.044 179.468 177.584 -0.268 0.000 1.181 470 A CA 2.108 53.872 52.037 -0.456 0.000 0.627 470 A CB -1.086 17.563 19.000 -0.586 0.000 0.818 470 A HN 0.510 nan 8.150 nan 0.000 0.445 471 F N 0.350 120.224 119.950 -0.127 0.000 2.146 471 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 471 F C 1.812 177.716 175.800 0.174 0.000 1.096 471 F CA 0.087 58.119 58.000 0.052 0.000 1.275 471 F CB -1.178 37.886 39.000 0.105 0.000 1.008 471 F HN 0.157 nan 8.300 nan 0.000 0.480 475 F N 0.780 120.939 119.950 0.348 0.000 2.234 475 F HA 0.039 4.566 4.527 0.000 0.000 0.299 475 F C 1.766 177.754 175.800 0.314 0.000 1.087 475 F CA 1.969 60.264 58.000 0.490 0.000 1.340 475 F CB 0.108 39.407 39.000 0.498 0.000 1.031 475 F HN 0.269 nan 8.300 nan 0.000 0.500 476 L N 0.645 122.092 121.223 0.373 0.000 2.027 476 L HA -0.134 4.206 4.340 0.000 0.000 0.206 476 L C 2.611 179.547 176.870 0.110 0.000 1.074 476 L CA 1.739 56.722 54.840 0.239 0.000 0.745 476 L CB -0.836 41.336 42.059 0.189 0.000 0.898 476 L HN 0.074 nan 8.230 nan 0.000 0.433 477 R N -0.961 119.580 120.500 0.068 0.000 2.096 477 R HA -0.252 4.088 4.340 0.000 0.000 0.240 477 R C 2.408 178.663 176.300 -0.074 0.000 1.139 477 R CA 2.240 58.342 56.100 0.003 0.000 0.952 477 R CB -0.315 29.978 30.300 -0.012 0.000 0.854 477 R HN 0.597 nan 8.270 nan 0.000 0.436 478 Q N -1.325 118.383 119.800 -0.153 0.000 2.096 478 Q HA -0.136 4.204 4.340 0.000 0.000 0.197 478 Q C 0.711 176.361 176.000 -0.583 0.000 0.964 478 Q CA 1.319 56.874 55.803 -0.413 0.000 0.838 478 Q CB 0.248 28.662 28.738 -0.542 0.000 0.906 478 Q HN 0.447 nan 8.270 nan 0.000 0.444 479 Y N -1.885 118.279 120.300 -0.227 0.000 2.453 479 Y HA 0.344 4.894 4.550 0.000 0.000 0.247 479 Y C 1.090 176.959 175.900 -0.051 0.000 1.124 479 Y CA 0.242 58.204 58.100 -0.230 0.000 1.243 479 Y CB 1.291 39.408 38.460 -0.571 0.000 1.213 479 Y HN 0.231 nan 8.280 nan 0.000 0.523 480 G N 1.016 109.889 108.800 0.121 0.000 2.179 480 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 480 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 480 G C -0.067 174.944 174.900 0.185 0.000 1.010 480 G CA 0.284 45.464 45.100 0.132 0.000 0.736 480 G HN 0.398 nan 8.290 nan 0.000 0.513 481 Q N -0.919 119.059 119.800 0.297 0.000 2.451 481 Q HA 0.659 4.999 4.340 0.000 0.000 0.281 481 Q C -0.726 175.490 176.000 0.359 0.000 1.099 481 Q CA -0.662 55.332 55.803 0.320 0.000 0.806 481 Q CB 1.999 30.967 28.738 0.383 0.000 1.419 481 Q HN 0.172 nan 8.270 nan 0.000 0.427 482 T N 1.288 115.965 114.554 0.205 0.000 2.771 482 T HA 0.565 4.915 4.350 0.000 0.000 0.281 482 T C -0.554 174.174 174.700 0.047 0.000 0.982 482 T CA -0.591 61.585 62.100 0.127 0.000 0.978 482 T CB 0.817 69.733 68.868 0.080 0.000 0.930 482 T HN 0.430 nan 8.240 nan 0.000 0.447 483 V N 0.152 120.023 119.914 -0.071 0.000 3.102 483 V HA 0.977 5.097 4.120 0.000 0.000 0.312 483 V C 0.043 176.077 176.094 -0.100 0.000 1.135 483 V CA -1.803 60.417 62.300 -0.132 0.000 1.022 483 V CB 1.322 32.947 31.823 -0.329 0.000 1.056 483 V HN 0.993 nan 8.190 nan 0.000 0.436 484 A N 1.545 124.337 122.820 -0.047 0.000 2.545 484 A HA 0.541 4.861 4.320 0.000 0.000 0.253 484 A C 0.481 178.067 177.584 0.003 0.000 1.074 484 A CA 0.638 52.683 52.037 0.012 0.000 0.760 484 A CB -0.811 18.217 19.000 0.047 0.000 1.005 484 A HN 1.124 nan 8.150 nan 0.000 0.506 485 T N 2.411 116.999 114.554 0.058 0.000 2.861 485 T HA 0.488 4.838 4.350 0.000 0.000 0.287 485 T C -1.175 173.615 174.700 0.150 0.000 1.003 485 T CA -0.064 62.089 62.100 0.088 0.000 0.977 485 T CB 0.965 69.885 68.868 0.086 0.000 0.996 485 T HN 0.504 nan 8.240 nan 0.000 0.448 486 Y N 2.086 122.414 120.300 0.047 0.000 2.341 486 Y HA 0.563 5.113 4.550 0.000 0.000 0.338 486 Y C -0.150 175.795 175.900 0.075 0.000 0.965 486 Y CA -0.644 57.483 58.100 0.045 0.000 1.108 486 Y CB 1.088 39.560 38.460 0.020 0.000 1.180 486 Y HN 0.663 nan 8.280 nan 0.000 0.458 487 E N 4.046 124.168 120.200 -0.129 0.000 2.248 487 E HA 0.369 4.719 4.350 0.000 0.000 0.267 487 E C -1.437 175.016 176.600 -0.244 0.000 0.877 487 E CA -0.731 55.679 56.400 0.017 0.000 0.759 487 E CB 1.886 31.659 29.700 0.121 0.000 1.182 487 E HN 0.586 nan 8.360 nan 0.000 0.418 488 S N 2.444 118.141 115.700 -0.004 0.000 2.586 488 S HA 0.392 4.862 4.470 0.000 0.000 0.274 488 S C -0.923 173.618 174.600 -0.098 0.000 1.281 488 S CA -0.548 57.630 58.200 -0.037 0.000 1.035 488 S CB 0.837 64.117 63.200 0.134 0.000 0.962 488 S HN 0.577 nan 8.310 nan 0.000 0.512 489 C N 3.776 122.987 119.300 -0.149 0.000 2.482 489 C HA 0.701 5.161 4.460 0.000 0.000 0.317 489 C C 0.319 175.220 174.990 -0.149 0.000 1.197 489 C CA -0.652 58.276 59.018 -0.149 0.000 1.432 489 C CB 0.851 28.483 27.740 -0.180 0.000 2.062 489 C HN 0.911 nan 8.230 nan 0.000 0.471 490 S N 2.622 118.241 115.700 -0.136 0.000 2.533 490 S HA 0.254 4.724 4.470 0.000 0.000 0.282 490 S C 1.123 175.650 174.600 -0.123 0.000 1.304 490 S CA 0.499 58.623 58.200 -0.126 0.000 1.063 490 S CB 0.491 63.627 63.200 -0.107 0.000 0.881 490 S HN 1.022 nan 8.310 nan 0.000 0.493 491 T N 2.360 116.856 114.554 -0.095 0.000 3.251 491 T HA 0.414 4.764 4.350 0.000 0.000 0.259 491 T C 1.085 175.823 174.700 0.062 0.000 0.998 491 T CA 0.036 62.144 62.100 0.013 0.000 0.905 491 T CB 0.133 69.000 68.868 -0.002 0.000 1.067 491 T HN 0.619 nan 8.240 nan 0.000 0.569 492 A N 0.701 123.506 122.820 -0.024 0.000 2.239 492 A HA 0.597 4.917 4.320 0.000 0.000 0.209 492 A C 2.371 179.920 177.584 -0.058 0.000 1.171 492 A CA 0.613 52.649 52.037 -0.001 0.000 0.768 492 A CB -0.791 18.225 19.000 0.027 0.000 0.790 492 A HN 0.736 nan 8.150 nan 0.000 0.478 493 A N -0.903 121.796 122.820 -0.202 0.000 2.172 493 A HA 0.320 4.640 4.320 0.000 0.000 0.216 493 A C 0.387 177.603 177.584 -0.615 0.000 1.154 493 A CA 0.428 52.229 52.037 -0.393 0.000 0.701 493 A CB -0.389 18.257 19.000 -0.591 0.000 0.789 493 A HN 0.383 nan 8.150 nan 0.000 0.465 494 F N -1.335 118.567 119.950 -0.080 0.000 2.523 494 F HA 0.541 5.068 4.527 0.000 0.000 0.329 494 F C 0.371 176.102 175.800 -0.114 0.000 1.061 494 F CA -1.525 56.391 58.000 -0.139 0.000 0.967 494 F CB 1.010 39.926 39.000 -0.140 0.000 1.218 494 F HN -0.228 nan 8.300 nan 0.000 0.480 495 K N 1.055 121.470 120.400 0.025 0.000 2.436 495 K HA 0.037 4.357 4.320 0.000 0.000 0.282 495 K C -0.046 176.549 176.600 -0.008 0.000 1.044 495 K CA 0.596 56.839 56.287 -0.073 0.000 1.028 495 K CB -0.859 31.528 32.500 -0.189 0.000 0.919 495 K HN 0.668 nan 8.250 nan 0.000 0.474 496 H N 0.982 120.072 119.070 0.034 0.000 2.690 496 H HA -0.207 4.349 4.556 0.000 0.000 0.309 496 H C 0.572 175.883 175.328 -0.028 0.000 1.138 496 H CA -0.097 55.970 56.048 0.030 0.000 1.142 496 H CB -1.252 28.529 29.762 0.031 0.000 1.410 496 H HN 0.764 nan 8.280 nan 0.000 0.409 497 G N -0.130 108.732 108.800 0.103 0.000 2.527 497 G HA2 0.340 4.300 3.960 0.000 0.000 0.248 497 G HA3 0.340 4.300 3.960 0.000 0.000 0.248 497 G C 0.666 175.528 174.900 -0.064 0.000 1.231 497 G CA -0.471 44.641 45.100 0.021 0.000 0.838 497 G HN 0.151 nan 8.290 nan 0.000 0.570 498 R N -0.409 119.980 120.500 -0.185 0.000 2.642 498 R HA 0.479 4.819 4.340 0.000 0.000 0.103 498 R C 0.481 176.612 176.300 -0.281 0.000 1.144 498 R CA 0.268 56.198 56.100 -0.284 0.000 0.955 498 R CB -0.519 29.488 30.300 -0.489 0.000 0.817 498 R HN 0.695 nan 8.270 nan 0.000 0.381 499 T N -0.793 113.506 114.554 -0.426 0.000 2.901 499 T HA 0.651 5.001 4.350 0.000 0.000 0.293 499 T C -0.834 173.617 174.700 -0.414 0.000 1.084 499 T CA -0.710 61.189 62.100 -0.334 0.000 1.008 499 T CB 2.818 71.548 68.868 -0.230 0.000 1.170 499 T HN 0.179 nan 8.240 nan 0.000 0.509 500 E N -0.030 119.985 120.200 -0.308 0.000 2.312 500 E HA 0.573 4.923 4.350 0.000 0.000 0.267 500 E C -1.120 175.277 176.600 -0.339 0.000 0.894 500 E CA -0.586 55.621 56.400 -0.322 0.000 0.773 500 E CB 2.081 31.631 29.700 -0.251 0.000 1.241 500 E HN 0.732 nan 8.360 nan 0.000 0.432 501 T N 3.362 117.669 114.554 -0.411 0.000 2.749 501 T HA 0.418 4.768 4.350 0.000 0.000 0.295 501 T C 0.276 174.702 174.700 -0.456 0.000 0.936 501 T CA -0.292 61.454 62.100 -0.590 0.000 1.060 501 T CB -0.054 68.417 68.868 -0.662 0.000 0.904 501 T HN 0.334 nan 8.240 nan 0.000 0.500 502 I N 3.744 124.073 120.570 -0.402 0.000 2.395 502 I HA 0.258 4.428 4.170 0.000 0.000 0.289 502 I C 0.753 176.747 176.117 -0.206 0.000 1.023 502 I CA -0.590 60.545 61.300 -0.274 0.000 1.350 502 I CB 0.616 38.469 38.000 -0.244 0.000 1.409 502 I HN 0.225 nan 8.210 nan 0.000 0.507 503 R N 7.453 127.903 120.500 -0.082 0.000 2.369 503 R HA 0.264 4.604 4.340 0.000 0.000 0.310 503 R C -1.989 174.396 176.300 0.141 0.000 1.141 503 R CA -1.890 54.240 56.100 0.051 0.000 1.116 503 R CB 0.542 30.957 30.300 0.191 0.000 1.135 503 R HN 0.363 nan 8.270 nan 0.000 0.529 504 P HA -0.028 nan 4.420 nan 0.000 0.226 504 P C 0.048 177.483 177.300 0.226 0.000 1.153 504 P CA 0.599 63.869 63.100 0.284 0.000 0.777 504 P CB 0.417 32.273 31.700 0.261 0.000 0.794 505 A N 0.520 123.445 122.820 0.174 0.000 2.457 505 A HA 0.445 4.766 4.320 0.000 0.000 0.298 505 A C 0.632 178.310 177.584 0.157 0.000 1.288 505 A CA 0.039 52.159 52.037 0.137 0.000 0.956 505 A CB -0.630 18.426 19.000 0.093 0.000 1.135 505 A HN 0.231 nan 8.150 nan 0.000 0.535 506 S N 2.059 117.856 115.700 0.161 0.000 2.677 506 S HA 0.561 5.031 4.470 0.000 0.000 0.304 506 S C 1.107 175.666 174.600 -0.068 0.000 1.108 506 S CA -0.202 58.077 58.200 0.133 0.000 0.944 506 S CB 0.749 64.164 63.200 0.358 0.000 1.127 506 S HN 0.936 nan 8.310 nan 0.000 0.511 507 I N -1.687 118.690 120.570 -0.321 0.000 2.335 507 I HA -0.092 4.078 4.170 0.000 0.000 0.251 507 I C 1.667 177.501 176.117 -0.473 0.000 1.129 507 I CA 1.560 62.569 61.300 -0.486 0.000 1.402 507 I CB -0.797 36.767 38.000 -0.727 0.000 1.069 507 I HN 0.502 nan 8.210 nan 0.000 0.424 508 F N 2.428 122.298 119.950 -0.133 0.000 2.128 508 F HA -0.116 4.411 4.527 -0.000 0.000 0.295 508 F C 3.098 178.878 175.800 -0.033 0.000 1.100 508 F CA 1.781 59.728 58.000 -0.088 0.000 1.260 508 F CB -1.492 37.445 39.000 -0.104 0.000 1.009 508 F HN 0.150 nan 8.300 nan 0.000 0.476 509 T N -1.309 113.342 114.554 0.162 0.000 2.833 509 T HA -0.232 4.118 4.350 0.000 0.000 0.269 509 T C 1.947 176.679 174.700 0.054 0.000 1.054 509 T CA 1.532 63.684 62.100 0.087 0.000 1.135 509 T CB -0.451 68.464 68.868 0.079 0.000 0.869 509 T HN 0.270 nan 8.240 nan 0.000 0.466 510 K N 0.846 121.262 120.400 0.026 0.000 2.001 510 K HA -0.022 4.298 4.320 0.000 0.000 0.208 510 K C 2.778 179.390 176.600 0.019 0.000 1.048 510 K CA 0.744 57.041 56.287 0.018 0.000 0.932 510 K CB -0.126 32.363 32.500 -0.018 0.000 0.715 510 K HN 0.270 nan 8.250 nan 0.000 0.437 511 R N 0.101 120.595 120.500 -0.009 0.000 2.096 511 R HA -0.192 4.149 4.340 0.000 0.000 0.240 511 R C 2.648 178.972 176.300 0.040 0.000 1.139 511 R CA 1.741 57.845 56.100 0.006 0.000 0.952 511 R CB -0.752 29.542 30.300 -0.010 0.000 0.854 511 R HN 0.386 nan 8.270 nan 0.000 0.436 512 C N 0.109 119.452 119.300 0.071 0.000 2.446 512 C HA -0.044 4.416 4.460 0.000 0.000 0.277 512 C C 2.747 177.855 174.990 0.196 0.000 1.275 512 C CA 1.122 60.217 59.018 0.128 0.000 1.727 512 C CB -0.746 27.063 27.740 0.114 0.000 2.010 512 C HN 0.463 nan 8.230 nan 0.000 0.486 513 S N 0.489 116.255 115.700 0.110 0.000 2.368 513 S HA -0.168 4.302 4.470 0.000 0.000 0.225 513 S C 1.626 176.314 174.600 0.147 0.000 1.030 513 S CA 1.654 59.921 58.200 0.111 0.000 0.999 513 S CB -0.435 62.812 63.200 0.078 0.000 0.844 513 S HN 0.720 nan 8.310 nan 0.000 0.459 514 E N 1.366 121.630 120.200 0.108 0.000 2.085 514 E HA -0.132 4.218 4.350 0.000 0.000 0.194 514 E C 2.355 179.017 176.600 0.104 0.000 0.994 514 E CA 1.040 57.497 56.400 0.096 0.000 0.801 514 E CB -0.279 29.462 29.700 0.068 0.000 0.743 514 E HN 0.517 nan 8.360 nan 0.000 0.453 515 A N 0.587 123.453 122.820 0.077 0.000 1.902 515 A HA -0.176 4.144 4.320 0.000 0.000 0.217 515 A C 1.901 179.492 177.584 0.013 0.000 1.181 515 A CA 1.220 53.253 52.037 -0.008 0.000 0.623 515 A CB -0.699 18.086 19.000 -0.359 0.000 0.818 515 A HN 0.191 nan 8.150 nan 0.000 0.443 516 F N -0.764 119.179 119.950 -0.012 0.000 2.206 516 F HA -0.064 4.462 4.527 -0.000 0.000 0.298 516 F C 2.303 178.116 175.800 0.023 0.000 1.090 516 F CA 1.506 59.510 58.000 0.007 0.000 1.323 516 F CB 0.060 39.055 39.000 -0.008 0.000 1.028 516 F HN 0.042 nan 8.300 nan 0.000 0.492 517 V N -0.619 119.419 119.914 0.206 0.000 2.436 517 V HA -0.057 4.063 4.120 0.000 0.000 0.240 517 V C 2.144 178.291 176.094 0.089 0.000 1.040 517 V CA 1.236 63.615 62.300 0.131 0.000 1.052 517 V CB -0.325 31.565 31.823 0.110 0.000 0.707 517 V HN 0.116 nan 8.190 nan 0.000 0.469 518 R N 1.310 121.862 120.500 0.087 0.000 2.127 518 R HA 0.026 4.366 4.340 0.000 0.000 0.217 518 R C -0.080 176.253 176.300 0.056 0.000 1.074 518 R CA 1.361 57.500 56.100 0.065 0.000 0.991 518 R CB -0.017 30.321 30.300 0.064 0.000 0.895 518 R HN 0.727 nan 8.270 nan 0.000 0.450 519 D N -0.998 119.445 120.400 0.070 0.000 2.714 519 D HA 0.094 4.734 4.640 0.000 0.000 0.264 519 D C -2.246 174.092 176.300 0.063 0.000 1.231 519 D CA -1.568 52.464 54.000 0.053 0.000 0.802 519 D CB 1.266 42.088 40.800 0.036 0.000 1.319 519 D HN -0.145 nan 8.370 nan 0.000 0.528 520 P HA -0.073 nan 4.420 nan 0.000 0.226 520 P C 0.851 178.138 177.300 -0.021 0.000 1.153 520 P CA 0.479 63.565 63.100 -0.022 0.000 0.777 520 P CB 0.359 32.044 31.700 -0.025 0.000 0.794 521 S N -0.295 115.397 115.700 -0.014 0.000 2.527 521 S HA 0.015 4.485 4.470 0.000 0.000 0.222 521 S C 1.748 176.312 174.600 -0.060 0.000 0.985 521 S CA 0.237 58.419 58.200 -0.029 0.000 0.921 521 S CB -0.420 62.765 63.200 -0.025 0.000 0.772 521 S HN 0.249 nan 8.310 nan 0.000 0.529 522 K N 0.858 121.205 120.400 -0.089 0.000 2.366 522 K HA -0.008 4.312 4.320 0.000 0.000 0.198 522 K C -0.513 175.823 176.600 -0.440 0.000 1.044 522 K CA 0.749 56.880 56.287 -0.260 0.000 0.973 522 K CB 0.132 32.433 32.500 -0.331 0.000 0.767 522 K HN 0.431 nan 8.250 nan 0.000 0.475 523 H N -0.796 118.228 119.070 -0.076 0.000 2.690 523 H HA 0.162 4.718 4.556 -0.000 0.000 0.368 523 H C -0.476 174.804 175.328 -0.080 0.000 1.150 523 H CA -0.697 55.304 56.048 -0.078 0.000 1.174 523 H CB 1.859 31.558 29.762 -0.105 0.000 1.684 523 H HN 0.051 nan 8.280 nan 0.000 0.538 524 S N 0.536 116.272 115.700 0.061 0.000 2.593 524 S HA 0.047 4.517 4.470 0.000 0.000 0.269 524 S C 1.654 176.264 174.600 0.016 0.000 1.334 524 S CA -0.196 58.018 58.200 0.023 0.000 1.015 524 S CB 0.835 64.045 63.200 0.016 0.000 0.912 524 S HN 0.594 nan 8.310 nan 0.000 0.541 525 V N 0.033 119.950 119.914 0.005 0.000 2.324 525 V HA -0.039 4.081 4.120 0.000 0.000 0.250 525 V C 2.411 178.521 176.094 0.027 0.000 1.060 525 V CA 2.071 64.376 62.300 0.009 0.000 1.042 525 V CB -2.200 29.639 31.823 0.026 0.000 0.650 525 V HN 0.985 nan 8.190 nan 0.000 0.450 526 G N -0.164 108.654 108.800 0.029 0.000 2.446 526 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 526 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 526 G C 1.446 176.379 174.900 0.056 0.000 1.168 526 G CA 1.035 46.157 45.100 0.037 0.000 0.771 526 G HN 0.626 nan 8.290 nan 0.000 0.551 527 E N -0.011 120.220 120.200 0.051 0.000 2.051 527 E HA -0.072 4.278 4.350 0.000 0.000 0.192 527 E C 2.639 179.273 176.600 0.056 0.000 0.991 527 E CA 0.736 57.179 56.400 0.070 0.000 0.799 527 E CB -0.224 29.546 29.700 0.117 0.000 0.748 527 E HN 0.399 nan 8.360 nan 0.000 0.449 528 L N 0.809 122.031 121.223 -0.003 0.000 2.012 528 L HA -0.267 4.073 4.340 0.000 0.000 0.210 528 L C 2.622 179.554 176.870 0.104 0.000 1.073 528 L CA 1.380 56.208 54.840 -0.020 0.000 0.748 528 L CB -0.495 41.466 42.059 -0.163 0.000 0.891 528 L HN 0.174 nan 8.230 nan 0.000 0.431 529 Q N -1.085 118.769 119.800 0.091 0.000 2.061 529 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 529 Q C 1.054 177.096 176.000 0.069 0.000 0.984 529 Q CA 1.213 57.064 55.803 0.079 0.000 0.846 529 Q CB -0.301 28.472 28.738 0.058 0.000 0.902 529 Q HN 0.492 nan 8.270 nan 0.000 0.421 534 E N 0.518 120.526 120.200 -0.320 0.000 2.072 534 E HA -0.118 4.232 4.350 0.000 0.000 0.191 534 E C 1.961 178.349 176.600 -0.354 0.000 0.985 534 E CA 1.543 57.699 56.400 -0.407 0.000 0.801 534 E CB -0.621 28.837 29.700 -0.404 0.000 0.750 534 E HN 0.676 nan 8.360 nan 0.000 0.452 535 C N 0.666 119.891 119.300 -0.126 0.000 2.413 535 C HA -0.123 4.337 4.460 0.000 0.000 0.276 535 C C 3.088 178.087 174.990 0.015 0.000 1.236 535 C CA 1.267 60.294 59.018 0.016 0.000 1.735 535 C CB -1.034 26.715 27.740 0.015 0.000 2.031 535 C HN 0.434 nan 8.230 nan 0.000 0.474 536 S N 0.132 115.800 115.700 -0.053 0.000 2.348 536 S HA -0.191 4.279 4.470 0.000 0.000 0.221 536 S C 1.951 176.547 174.600 -0.007 0.000 1.033 536 S CA 1.578 59.758 58.200 -0.033 0.000 1.010 536 S CB -0.252 62.902 63.200 -0.077 0.000 0.891 536 S HN 0.636 nan 8.310 nan 0.000 0.442 537 K N -0.859 119.497 120.400 -0.073 0.000 2.057 537 K HA -0.120 4.200 4.320 0.000 0.000 0.207 537 K C 2.049 178.630 176.600 -0.033 0.000 1.049 537 K CA 1.661 57.904 56.287 -0.074 0.000 0.931 537 K CB -0.373 32.049 32.500 -0.131 0.000 0.714 537 K HN 0.503 nan 8.250 nan 0.000 0.440 538 Y N 0.646 120.832 120.300 -0.189 0.000 2.200 538 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 538 Y C 2.368 178.274 175.900 0.011 0.000 1.137 538 Y CA 1.757 59.791 58.100 -0.110 0.000 1.163 538 Y CB -0.350 38.022 38.460 -0.147 0.000 0.988 538 Y HN 0.179 nan 8.280 nan 0.000 0.518 539 H N -0.797 118.267 119.070 -0.011 0.000 2.353 539 H HA -0.047 4.509 4.556 0.000 0.000 0.300 539 H C 2.402 177.668 175.328 -0.104 0.000 1.090 539 H CA 1.777 57.789 56.048 -0.059 0.000 1.327 539 H CB -0.653 29.105 29.762 -0.005 0.000 1.383 539 H HN 0.411 nan 8.280 nan 0.000 0.508 540 G N -0.114 108.672 108.800 -0.023 0.000 2.440 540 G HA2 -0.367 3.593 3.960 0.000 0.000 0.218 540 G HA3 -0.367 3.593 3.960 0.000 0.000 0.218 540 G C 1.619 176.434 174.900 -0.141 0.000 1.154 540 G CA 0.852 45.907 45.100 -0.074 0.000 0.767 540 G HN 0.542 nan 8.290 nan 0.000 0.552 541 Q N -0.142 119.561 119.800 -0.162 0.000 2.030 541 Q HA -0.052 4.288 4.340 0.000 0.000 0.204 541 Q C 2.616 178.468 176.000 -0.247 0.000 0.986 541 Q CA 1.200 56.892 55.803 -0.185 0.000 0.843 541 Q CB -0.263 28.364 28.738 -0.184 0.000 0.904 541 Q HN 0.505 nan 8.270 nan 0.000 0.420 542 L N 0.193 121.192 121.223 -0.372 0.000 2.083 542 L HA -0.178 4.162 4.340 0.000 0.000 0.209 542 L C 2.533 179.228 176.870 -0.291 0.000 1.083 542 L CA 1.522 56.154 54.840 -0.348 0.000 0.752 542 L CB -0.647 41.167 42.059 -0.410 0.000 0.899 542 L HN 0.315 nan 8.230 nan 0.000 0.433 543 T N -0.398 113.957 114.554 -0.331 0.000 2.708 543 T HA -0.205 4.145 4.350 0.000 0.000 0.266 543 T C 1.941 176.522 174.700 -0.198 0.000 1.037 543 T CA 1.365 63.302 62.100 -0.273 0.000 1.146 543 T CB -0.092 68.622 68.868 -0.257 0.000 0.865 543 T HN 0.276 nan 8.240 nan 0.000 0.435 544 K N 0.786 121.085 120.400 -0.168 0.000 2.057 544 K HA -0.077 4.243 4.320 0.000 0.000 0.207 544 K C 2.478 179.008 176.600 -0.115 0.000 1.049 544 K CA 1.249 57.455 56.287 -0.136 0.000 0.931 544 K CB -0.073 32.366 32.500 -0.102 0.000 0.714 544 K HN 0.458 nan 8.250 nan 0.000 0.440 545 E N 0.496 120.627 120.200 -0.114 0.000 2.047 545 E HA -0.176 4.174 4.350 0.000 0.000 0.191 545 E C 2.081 178.626 176.600 -0.092 0.000 0.987 545 E CA 1.022 57.372 56.400 -0.084 0.000 0.799 545 E CB -0.114 29.539 29.700 -0.077 0.000 0.752 545 E HN 0.317 nan 8.360 nan 0.000 0.449 546 A N 1.955 124.696 122.820 -0.132 0.000 1.883 546 A HA -0.059 4.261 4.320 0.000 0.000 0.217 546 A C 1.655 179.165 177.584 -0.122 0.000 1.186 546 A CA 1.283 53.231 52.037 -0.148 0.000 0.624 546 A CB -0.758 18.124 19.000 -0.196 0.000 0.822 546 A HN 0.298 nan 8.150 nan 0.000 0.444 550 Q N 1.215 120.972 119.800 -0.071 0.000 2.237 550 Q HA 0.298 4.638 4.340 0.000 0.000 0.252 550 Q C 1.130 177.133 176.000 0.004 0.000 0.877 550 Q CA 0.046 55.834 55.803 -0.026 0.000 1.011 550 Q CB 1.113 29.840 28.738 -0.018 0.000 1.118 550 Q HN 0.435 nan 8.270 nan 0.000 0.458 551 G N -0.021 108.760 108.800 -0.032 0.000 2.588 551 G HA2 0.256 4.216 3.960 0.000 0.000 0.278 551 G HA3 0.256 4.216 3.960 0.000 0.000 0.278 551 G C 0.284 175.235 174.900 0.086 0.000 1.307 551 G CA -0.397 44.677 45.100 -0.043 0.000 1.016 551 G HN 0.334 nan 8.290 nan 0.000 0.503 552 F N -2.784 117.223 119.950 0.095 0.000 2.694 552 F HA 0.339 4.866 4.527 0.000 0.000 0.292 552 F C 1.532 177.441 175.800 0.181 0.000 1.121 552 F CA 0.166 58.261 58.000 0.158 0.000 1.352 552 F CB 0.167 39.272 39.000 0.175 0.000 1.107 552 F HN 0.294 nan 8.300 nan 0.000 0.597 553 D N 1.467 121.586 120.400 -0.468 0.000 2.097 553 D HA -0.115 4.525 4.640 0.000 0.000 0.195 553 D C 2.019 178.403 176.300 0.140 0.000 0.989 553 D CA 1.123 55.016 54.000 -0.179 0.000 0.827 553 D CB -0.016 40.570 40.800 -0.357 0.000 0.966 553 D HN 0.169 nan 8.370 nan 0.000 0.456 554 R N 0.252 120.790 120.500 0.064 0.000 2.081 554 R HA -0.089 4.251 4.340 0.000 0.000 0.235 554 R C 2.181 178.737 176.300 0.427 0.000 1.131 554 R CA 0.814 57.012 56.100 0.163 0.000 0.960 554 R CB -1.422 28.834 30.300 -0.074 0.000 0.856 554 R HN 0.554 nan 8.270 nan 0.000 0.436 555 H N 0.532 119.779 119.070 0.295 0.000 2.290 555 H HA -0.040 4.516 4.556 0.000 0.000 0.298 555 H C 2.118 177.633 175.328 0.311 0.000 1.087 555 H CA 1.549 57.775 56.048 0.296 0.000 1.291 555 H CB 0.075 29.951 29.762 0.191 0.000 1.369 555 H HN 0.036 nan 8.280 nan 0.000 0.492 556 L N -0.152 121.284 121.223 0.355 0.000 2.083 556 L HA -0.232 4.108 4.340 0.000 0.000 0.209 556 L C 2.550 179.681 176.870 0.435 0.000 1.083 556 L CA 1.251 56.284 54.840 0.321 0.000 0.752 556 L CB -0.567 41.669 42.059 0.295 0.000 0.899 556 L HN 0.405 nan 8.230 nan 0.000 0.433 557 Y N 0.944 121.454 120.300 0.350 0.000 2.163 557 Y HA -0.232 4.318 4.550 0.000 0.000 0.288 557 Y C 2.486 178.548 175.900 0.270 0.000 1.136 557 Y CA 1.124 59.404 58.100 0.300 0.000 1.147 557 Y CB -0.434 38.239 38.460 0.355 0.000 0.987 557 Y HN 0.076 nan 8.280 nan 0.000 0.509 558 A N 0.483 123.363 122.820 0.100 0.000 1.972 558 A HA -0.148 4.172 4.320 0.000 0.000 0.219 558 A C 2.317 179.960 177.584 0.097 0.000 1.169 558 A CA 1.807 53.870 52.037 0.043 0.000 0.635 558 A CB -1.141 18.104 19.000 0.408 0.000 0.810 558 A HN 0.573 nan 8.150 nan 0.000 0.446 559 L N -1.107 120.228 121.223 0.187 0.000 2.056 559 L HA -0.160 4.180 4.340 0.000 0.000 0.207 559 L C 2.799 179.721 176.870 0.086 0.000 1.078 559 L CA 1.732 56.696 54.840 0.207 0.000 0.749 559 L CB -0.497 41.776 42.059 0.358 0.000 0.901 559 L HN 0.494 nan 8.230 nan 0.000 0.433 560 R N -0.526 119.900 120.500 -0.125 0.000 2.073 560 R HA -0.219 4.121 4.340 0.000 0.000 0.229 560 R C 2.463 178.621 176.300 -0.236 0.000 1.120 560 R CA 1.412 57.245 56.100 -0.444 0.000 0.967 560 R CB -0.461 29.204 30.300 -1.058 0.000 0.862 560 R HN 0.251 nan 8.270 nan 0.000 0.436 561 Y N 1.092 121.171 120.300 -0.368 0.000 2.097 561 Y HA -0.287 4.263 4.550 0.000 0.000 0.282 561 Y C 2.085 177.898 175.900 -0.145 0.000 1.152 561 Y CA 1.840 59.764 58.100 -0.294 0.000 1.136 561 Y CB -0.357 37.824 38.460 -0.465 0.000 0.975 561 Y HN 0.144 nan 8.280 nan 0.000 0.498 562 L N 0.600 121.890 121.223 0.111 0.000 2.042 562 L HA -0.181 4.159 4.340 0.000 0.000 0.210 562 L C 2.485 179.332 176.870 -0.039 0.000 1.076 562 L CA 2.128 57.010 54.840 0.070 0.000 0.749 562 L CB -1.514 40.610 42.059 0.108 0.000 0.893 562 L HN 0.337 nan 8.230 nan 0.000 0.432 563 A N -1.717 121.076 122.820 -0.045 0.000 1.865 563 A HA -0.249 4.071 4.320 0.000 0.000 0.217 563 A C 2.276 179.799 177.584 -0.103 0.000 1.191 563 A CA 2.585 54.586 52.037 -0.060 0.000 0.623 563 A CB -1.285 17.703 19.000 -0.022 0.000 0.826 563 A HN 0.507 nan 8.150 nan 0.000 0.444 564 T N 0.347 114.809 114.554 -0.154 0.000 2.674 564 T HA -0.030 4.320 4.350 0.000 0.000 0.265 564 T C 2.219 176.799 174.700 -0.199 0.000 1.039 564 T CA 1.739 63.732 62.100 -0.178 0.000 1.150 564 T CB -0.575 68.161 68.868 -0.220 0.000 0.864 564 T HN 0.630 nan 8.240 nan 0.000 0.427 565 A N 1.662 124.312 122.820 -0.282 0.000 2.024 565 A HA -0.124 4.196 4.320 0.000 0.000 0.220 565 A C 2.180 179.694 177.584 -0.116 0.000 1.164 565 A CA 1.182 53.081 52.037 -0.230 0.000 0.643 565 A CB -0.307 18.543 19.000 -0.250 0.000 0.806 565 A HN 0.199 nan 8.150 nan 0.000 0.451 566 R N -1.225 119.215 120.500 -0.101 0.000 2.310 566 R HA 0.146 4.486 4.340 0.000 0.000 0.202 566 R C 1.225 177.480 176.300 -0.074 0.000 0.933 566 R CA 0.639 56.691 56.100 -0.080 0.000 1.054 566 R CB -0.784 29.457 30.300 -0.098 0.000 0.985 566 R HN 0.856 nan 8.270 nan 0.000 0.489 567 G N 1.268 110.021 108.800 -0.079 0.000 2.147 567 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 567 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 567 G C 0.046 174.913 174.900 -0.054 0.000 1.005 567 G CA -0.005 45.057 45.100 -0.063 0.000 0.713 567 G HN 0.219 nan 8.290 nan 0.000 0.515 568 L N -0.143 121.045 121.223 -0.059 0.000 2.375 568 L HA 0.398 4.738 4.340 0.000 0.000 0.271 568 L C 0.740 177.590 176.870 -0.033 0.000 1.107 568 L CA -1.226 53.588 54.840 -0.043 0.000 0.806 568 L CB 0.545 42.579 42.059 -0.043 0.000 1.146 568 L HN -0.000 nan 8.230 nan 0.000 0.447 569 N N 1.489 120.178 118.700 -0.017 0.000 2.353 569 N HA 0.038 4.778 4.740 0.000 0.000 0.248 569 N C -0.378 175.138 175.510 0.010 0.000 1.240 569 N CA -0.239 52.808 53.050 -0.005 0.000 0.862 569 N CB 0.272 38.761 38.487 0.003 0.000 1.086 569 N HN 0.310 nan 8.380 nan 0.000 0.453 570 L N 4.621 125.852 121.223 0.013 0.000 2.584 570 L HA 0.160 4.500 4.340 0.000 0.000 0.272 570 L C -1.964 174.971 176.870 0.108 0.000 1.195 570 L CA -0.926 53.938 54.840 0.040 0.000 0.920 570 L CB -0.221 41.852 42.059 0.024 0.000 1.173 570 L HN 0.560 nan 8.230 nan 0.000 0.489 571 P HA -0.000 nan 4.420 nan 0.000 0.268 571 P C 0.292 177.665 177.300 0.121 0.000 1.208 571 P CA -0.073 63.157 63.100 0.216 0.000 0.777 571 P CB 0.475 32.419 31.700 0.408 0.000 0.875 572 E N 0.812 121.041 120.200 0.047 0.000 2.268 572 E HA -0.164 4.186 4.350 0.000 0.000 0.195 572 E C 1.612 178.144 176.600 -0.114 0.000 0.995 572 E CA 0.428 56.822 56.400 -0.011 0.000 0.836 572 E CB -0.188 29.512 29.700 -0.001 0.000 0.763 572 E HN 0.292 nan 8.360 nan 0.000 0.491 573 L N 0.076 121.136 121.223 -0.272 0.000 2.079 573 L HA -0.221 4.119 4.340 0.000 0.000 0.210 573 L C 1.540 177.997 176.870 -0.688 0.000 1.081 573 L CA 1.663 56.146 54.840 -0.595 0.000 0.752 573 L CB -0.248 41.075 42.059 -1.228 0.000 0.896 573 L HN 0.191 nan 8.230 nan 0.000 0.433 574 Y N -1.647 118.400 120.300 -0.422 0.000 2.523 574 Y HA 0.100 4.650 4.550 -0.000 0.000 0.279 574 Y C 1.976 177.778 175.900 -0.163 0.000 1.139 574 Y CA 0.330 58.091 58.100 -0.565 0.000 1.296 574 Y CB -0.184 37.965 38.460 -0.518 0.000 1.045 574 Y HN 0.102 nan 8.280 nan 0.000 0.538 575 L N -0.680 120.558 121.223 0.025 0.000 2.446 575 L HA 0.008 4.348 4.340 0.000 0.000 0.219 575 L C 0.461 177.367 176.870 0.061 0.000 1.116 575 L CA 0.064 54.940 54.840 0.059 0.000 0.844 575 L CB -0.101 41.980 42.059 0.038 0.000 0.970 575 L HN 0.011 nan 8.230 nan 0.000 0.457 576 D N 0.982 121.406 120.400 0.040 0.000 2.531 576 D HA -0.052 4.588 4.640 0.000 0.000 0.239 576 D C -1.556 174.812 176.300 0.114 0.000 1.144 576 D CA -1.234 52.802 54.000 0.060 0.000 0.869 576 D CB 1.333 42.161 40.800 0.047 0.000 1.160 576 D HN -0.098 nan 8.370 nan 0.000 0.484 577 P HA -0.159 nan 4.420 nan 0.000 0.216 577 P C 0.964 178.313 177.300 0.082 0.000 1.150 577 P CA 1.955 65.095 63.100 0.067 0.000 0.843 577 P CB 0.070 31.788 31.700 0.031 0.000 0.787 578 A N -1.571 121.297 122.820 0.081 0.000 1.940 578 A HA -0.256 4.064 4.320 0.000 0.000 0.219 578 A C 2.265 179.947 177.584 0.162 0.000 1.176 578 A CA 1.611 53.696 52.037 0.080 0.000 0.631 578 A CB -1.881 17.138 19.000 0.030 0.000 0.814 578 A HN 0.192 nan 8.150 nan 0.000 0.446 579 Y N 0.460 120.842 120.300 0.136 0.000 2.163 579 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 579 Y C 2.603 178.606 175.900 0.172 0.000 1.136 579 Y CA 2.214 60.435 58.100 0.201 0.000 1.147 579 Y CB -0.347 38.188 38.460 0.124 0.000 0.987 579 Y HN 0.456 nan 8.280 nan 0.000 0.509 580 Q N 0.352 120.295 119.800 0.240 0.000 2.061 580 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 580 Q C 1.306 177.344 176.000 0.063 0.000 0.984 580 Q CA 1.460 57.349 55.803 0.144 0.000 0.846 580 Q CB -0.277 28.535 28.738 0.123 0.000 0.902 580 Q HN 0.548 nan 8.270 nan 0.000 0.421 584 H N 1.303 120.351 119.070 -0.038 0.000 2.572 584 H HA 0.316 4.872 4.556 0.000 0.000 0.248 584 H C -0.896 174.401 175.328 -0.051 0.000 1.397 584 H CA -0.323 55.696 56.048 -0.049 0.000 1.319 584 H CB 0.058 29.793 29.762 -0.045 0.000 1.452 584 H HN 0.102 nan 8.280 nan 0.000 0.535 585 N N 6.288 124.898 118.700 -0.150 0.000 2.605 585 N HA 0.028 4.768 4.740 0.000 0.000 0.258 585 N C 1.554 176.978 175.510 -0.145 0.000 1.156 585 N CA -0.033 52.970 53.050 -0.078 0.000 1.008 585 N CB 0.826 39.304 38.487 -0.016 0.000 1.354 585 N HN 0.652 nan 8.380 nan 0.000 0.509 586 I N 0.728 121.217 120.570 -0.136 0.000 2.226 586 I HA -0.191 3.979 4.170 0.000 0.000 0.245 586 I C 0.723 176.734 176.117 -0.177 0.000 1.100 586 I CA 1.132 62.316 61.300 -0.193 0.000 1.374 586 I CB 0.161 38.027 38.000 -0.224 0.000 1.057 586 I HN 0.274 nan 8.210 nan 0.000 0.413 587 L N 0.895 122.030 121.223 -0.146 0.000 2.287 587 L HA 0.242 4.582 4.340 0.000 0.000 0.280 587 L C 0.056 176.950 176.870 0.039 0.000 1.055 587 L CA -0.143 54.660 54.840 -0.060 0.000 0.863 587 L CB 0.965 42.985 42.059 -0.065 0.000 1.245 587 L HN -0.016 nan 8.230 nan 0.000 0.432 588 S N 2.196 117.937 115.700 0.068 0.000 2.429 588 S HA 0.621 5.092 4.470 0.000 0.000 0.302 588 S C -0.075 174.715 174.600 0.317 0.000 1.115 588 S CA -0.487 57.819 58.200 0.177 0.000 1.095 588 S CB 0.809 64.090 63.200 0.135 0.000 0.987 588 S HN 0.628 nan 8.310 nan 0.000 0.474 589 T N 1.442 116.198 114.554 0.337 0.000 2.908 589 T HA 0.786 5.136 4.350 0.000 0.000 0.290 589 T C -0.528 174.394 174.700 0.369 0.000 1.034 589 T CA -0.734 61.605 62.100 0.398 0.000 1.010 589 T CB 1.733 70.797 68.868 0.327 0.000 1.068 589 T HN 0.498 nan 8.240 nan 0.000 0.481 590 S N 0.432 116.370 115.700 0.397 0.000 2.533 590 S HA 0.695 5.165 4.470 0.000 0.000 0.271 590 S C -1.142 173.371 174.600 -0.145 0.000 1.143 590 S CA -0.525 57.723 58.200 0.080 0.000 0.891 590 S CB 1.995 65.073 63.200 -0.202 0.000 1.105 590 S HN 1.146 nan 8.310 nan 0.000 0.468 591 T N 3.380 117.721 114.554 -0.354 0.000 2.906 591 T HA 0.790 5.140 4.350 0.000 0.000 0.295 591 T C -1.634 172.852 174.700 -0.357 0.000 1.075 591 T CA -0.474 61.257 62.100 -0.614 0.000 1.005 591 T CB 0.848 69.068 68.868 -1.079 0.000 1.136 591 T HN 0.566 nan 8.240 nan 0.000 0.498 592 L N 3.123 124.141 121.223 -0.343 0.000 2.388 592 L HA 0.623 4.963 4.340 0.000 0.000 0.264 592 L C -0.511 176.211 176.870 -0.247 0.000 0.998 592 L CA -1.074 53.610 54.840 -0.260 0.000 0.817 592 L CB 2.330 44.227 42.059 -0.270 0.000 1.338 592 L HN 0.568 nan 8.230 nan 0.000 0.414 593 N N 1.743 120.338 118.700 -0.175 0.000 2.623 593 N HA 0.373 5.113 4.740 0.000 0.000 0.256 593 N C -1.425 174.039 175.510 -0.076 0.000 1.045 593 N CA -0.151 52.812 53.050 -0.146 0.000 0.863 593 N CB 2.037 40.458 38.487 -0.109 0.000 1.182 593 N HN 0.495 nan 8.380 nan 0.000 0.523 594 S N 1.757 117.423 115.700 -0.057 0.000 2.543 594 S HA 0.430 4.900 4.470 0.000 0.000 0.273 594 S C -2.131 172.490 174.600 0.035 0.000 1.152 594 S CA -0.983 57.218 58.200 0.002 0.000 0.910 594 S CB 1.550 64.746 63.200 -0.005 0.000 1.105 594 S HN 0.190 nan 8.310 nan 0.000 0.465 595 P HA 0.112 nan 4.420 nan 0.000 0.226 595 P C 1.056 178.298 177.300 -0.097 0.000 1.153 595 P CA 0.831 63.966 63.100 0.059 0.000 0.777 595 P CB -0.039 31.730 31.700 0.116 0.000 0.794 596 A N -0.251 122.473 122.820 -0.160 0.000 2.067 596 A HA 0.109 4.429 4.320 0.000 0.000 0.217 596 A C 1.136 178.619 177.584 -0.169 0.000 1.156 596 A CA 0.478 52.175 52.037 -0.566 0.000 0.683 596 A CB -0.467 18.469 19.000 -0.107 0.000 0.808 596 A HN 0.097 nan 8.150 nan 0.000 0.455 597 V N 1.375 121.306 119.914 0.029 0.000 2.370 597 V HA 0.226 4.346 4.120 0.000 0.000 0.279 597 V C 1.362 177.505 176.094 0.081 0.000 1.029 597 V CA 0.339 62.675 62.300 0.059 0.000 0.870 597 V CB 1.243 32.984 31.823 -0.136 0.000 0.984 597 V HN 0.582 nan 8.190 nan 0.000 0.451 598 S N 5.888 121.666 115.700 0.130 0.000 2.356 598 S HA 0.247 4.717 4.470 0.000 0.000 0.219 598 S C 0.425 175.138 174.600 0.189 0.000 1.036 598 S CA 0.569 58.871 58.200 0.170 0.000 0.965 598 S CB -0.165 63.146 63.200 0.185 0.000 0.864 598 S HN 0.763 nan 8.310 nan 0.000 0.471 599 L N -3.442 117.876 121.223 0.159 0.000 2.838 599 L HA 0.923 5.263 4.340 0.000 0.000 0.266 599 L C -0.541 176.327 176.870 -0.002 0.000 1.040 599 L CA -1.026 53.883 54.840 0.115 0.000 0.906 599 L CB 1.272 43.442 42.059 0.185 0.000 1.501 599 L HN 0.202 nan 8.230 nan 0.000 0.407 600 G N -1.484 107.188 108.800 -0.213 0.000 2.798 600 G HA2 0.866 4.826 3.960 0.000 0.000 0.286 600 G HA3 0.866 4.826 3.960 0.000 0.000 0.286 600 G C -1.134 173.264 174.900 -0.838 0.000 1.389 600 G CA -0.618 44.073 45.100 -0.682 0.000 0.894 600 G HN 1.160 nan 8.290 nan 0.000 0.488 601 G N -1.533 106.532 108.800 -1.226 0.000 2.632 601 G HA2 0.764 4.724 3.960 0.000 0.000 0.292 601 G HA3 0.764 4.724 3.960 0.000 0.000 0.292 601 G C -1.391 173.350 174.900 -0.266 0.000 1.465 601 G CA -0.345 44.370 45.100 -0.641 0.000 0.824 601 G HN 1.567 nan 8.290 nan 0.000 0.509 602 F N -0.873 118.931 119.950 -0.243 0.000 2.703 602 F HA 0.857 5.384 4.527 0.000 0.000 0.308 602 F C -0.037 175.666 175.800 -0.162 0.000 1.126 602 F CA -1.272 56.614 58.000 -0.190 0.000 0.959 602 F CB 0.931 39.779 39.000 -0.253 0.000 1.297 602 F HN 0.940 nan 8.300 nan 0.000 0.441 603 A N 1.548 124.341 122.820 -0.045 0.000 2.287 603 A HA 0.798 5.118 4.320 0.000 0.000 0.273 603 A C -2.702 174.772 177.584 -0.182 0.000 1.091 603 A CA -1.824 50.081 52.037 -0.219 0.000 0.817 603 A CB -0.323 18.573 19.000 -0.174 0.000 1.069 603 A HN 0.587 nan 8.150 nan 0.000 0.492 604 P HA 0.081 nan 4.420 nan 0.000 0.267 604 P C 0.988 178.249 177.300 -0.065 0.000 1.200 604 P CA 0.180 63.173 63.100 -0.179 0.000 0.772 604 P CB 0.446 32.004 31.700 -0.236 0.000 0.855 605 V N 1.325 121.180 119.914 -0.098 0.000 3.306 605 V HA 0.049 4.169 4.120 0.000 0.000 0.264 605 V C 0.618 176.575 176.094 -0.229 0.000 1.149 605 V CA 0.858 63.042 62.300 -0.194 0.000 1.143 605 V CB -0.754 30.927 31.823 -0.238 0.000 0.767 605 V HN 0.330 nan 8.190 nan 0.000 0.476 606 V N -5.659 114.128 119.914 -0.211 0.000 3.040 606 V HA 0.639 4.759 4.120 0.000 0.000 0.312 606 V C -1.946 174.084 176.094 -0.106 0.000 1.115 606 V CA -1.927 60.206 62.300 -0.278 0.000 0.998 606 V CB 1.156 32.560 31.823 -0.698 0.000 1.042 606 V HN -0.007 nan 8.190 nan 0.000 0.433 607 P HA -0.105 nan 4.420 nan 0.000 0.216 607 P C 0.432 177.726 177.300 -0.010 0.000 1.150 607 P CA 1.806 64.848 63.100 -0.096 0.000 0.837 607 P CB 0.003 31.620 31.700 -0.139 0.000 0.786 608 D N -1.205 119.167 120.400 -0.047 0.000 2.722 608 D HA 0.189 4.829 4.640 0.000 0.000 0.239 608 D C 0.630 176.787 176.300 -0.239 0.000 1.249 608 D CA -0.354 53.575 54.000 -0.118 0.000 0.830 608 D CB -0.375 40.380 40.800 -0.074 0.000 1.025 608 D HN -0.007 nan 8.370 nan 0.000 0.486 609 G N -0.506 108.145 108.800 -0.247 0.000 2.597 609 G HA2 0.558 4.518 3.960 0.000 0.000 0.317 609 G HA3 0.558 4.518 3.960 0.000 0.000 0.317 609 G C -1.248 173.370 174.900 -0.470 0.000 1.230 609 G CA -0.725 44.173 45.100 -0.337 0.000 0.996 609 G HN 0.042 nan 8.290 nan 0.000 0.490 610 F N -0.631 119.180 119.950 -0.232 0.000 2.492 610 F HA 0.629 5.156 4.527 -0.000 0.000 0.327 610 F C 0.769 176.362 175.800 -0.344 0.000 1.079 610 F CA -1.018 56.782 58.000 -0.335 0.000 0.967 610 F CB 2.484 41.187 39.000 -0.494 0.000 1.169 610 F HN 0.536 nan 8.300 nan 0.000 0.472 611 G N 3.371 112.014 108.800 -0.263 0.000 2.468 611 G HA2 0.600 4.560 3.960 0.000 0.000 0.320 611 G HA3 0.600 4.560 3.960 0.000 0.000 0.320 611 G C -0.949 173.431 174.900 -0.866 0.000 1.137 611 G CA -0.367 44.306 45.100 -0.710 0.000 0.984 611 G HN 0.559 nan 8.290 nan 0.000 0.462 612 I N 2.805 123.017 120.570 -0.597 0.000 2.388 612 I HA 0.368 4.538 4.170 0.000 0.000 0.281 612 I C 0.605 176.670 176.117 -0.085 0.000 1.046 612 I CA -0.552 60.523 61.300 -0.374 0.000 1.187 612 I CB 1.628 39.349 38.000 -0.465 0.000 1.351 612 I HN 0.480 nan 8.210 nan 0.000 0.472 613 A N 7.383 130.119 122.820 -0.140 0.000 2.276 613 A HA 0.669 4.989 4.320 0.000 0.000 0.300 613 A C -0.819 176.842 177.584 0.127 0.000 1.235 613 A CA -0.198 51.890 52.037 0.085 0.000 0.867 613 A CB 0.128 19.095 19.000 -0.055 0.000 1.137 613 A HN 0.707 nan 8.150 nan 0.000 0.527 614 Y N -0.333 119.981 120.300 0.023 0.000 2.605 614 Y HA 0.846 5.396 4.550 -0.000 0.000 0.343 614 Y C -0.357 175.531 175.900 -0.021 0.000 1.036 614 Y CA -1.081 57.053 58.100 0.056 0.000 1.065 614 Y CB 1.565 40.172 38.460 0.245 0.000 1.288 614 Y HN 0.919 nan 8.280 nan 0.000 0.481 615 A N 1.356 124.144 122.820 -0.053 0.000 2.488 615 A HA 0.649 4.969 4.320 0.000 0.000 0.298 615 A C -2.046 175.344 177.584 -0.324 0.000 1.044 615 A CA -0.791 51.042 52.037 -0.340 0.000 0.693 615 A CB 1.458 20.150 19.000 -0.514 0.000 1.272 615 A HN 0.747 nan 8.150 nan 0.000 0.402 616 V N 4.025 123.755 119.914 -0.307 0.000 2.318 616 V HA 0.306 4.426 4.120 0.000 0.000 0.271 616 V C 0.088 175.941 176.094 -0.403 0.000 1.030 616 V CA -0.169 62.000 62.300 -0.219 0.000 0.844 616 V CB -0.111 31.696 31.823 -0.026 0.000 1.015 616 V HN 0.970 nan 8.190 nan 0.000 0.460 617 H N 1.794 120.628 119.070 -0.392 0.000 2.437 617 H HA 0.280 4.836 4.556 0.000 0.000 0.338 617 H C 0.940 176.200 175.328 -0.114 0.000 1.495 617 H CA -0.485 55.346 56.048 -0.362 0.000 1.453 617 H CB 0.731 30.011 29.762 -0.803 0.000 1.707 617 H HN 0.449 nan 8.280 nan 0.000 0.655 618 D N -0.037 120.448 120.400 0.142 0.000 2.097 618 D HA -0.128 4.512 4.640 0.000 0.000 0.195 618 D C 0.474 176.901 176.300 0.212 0.000 0.989 618 D CA 1.545 55.642 54.000 0.160 0.000 0.827 618 D CB 0.062 40.959 40.800 0.161 0.000 0.966 618 D HN 0.520 nan 8.370 nan 0.000 0.456 619 D N -1.577 118.991 120.400 0.280 0.000 2.500 619 D HA 0.063 4.703 4.640 0.000 0.000 0.217 619 D C 0.408 176.930 176.300 0.369 0.000 1.159 619 D CA -0.103 54.072 54.000 0.292 0.000 0.828 619 D CB 1.227 42.174 40.800 0.244 0.000 1.039 619 D HN 0.356 nan 8.370 nan 0.000 0.512 620 W N 0.385 121.773 121.300 0.147 0.000 3.025 620 W HA 0.584 5.245 4.660 0.001 0.000 0.343 620 W C -2.173 174.507 176.519 0.267 0.000 1.246 620 W CA -0.994 56.431 57.345 0.134 0.000 1.178 620 W CB 0.360 29.845 29.460 0.043 0.000 1.463 620 W HN -0.401 nan 8.180 nan 0.000 0.578 621 I N 1.907 122.683 120.570 0.344 0.000 2.466 621 I HA 0.539 4.709 4.170 0.000 0.000 0.289 621 I C 0.396 176.673 176.117 0.266 0.000 1.026 621 I CA -0.678 60.712 61.300 0.149 0.000 1.078 621 I CB 2.071 40.194 38.000 0.205 0.000 1.249 621 I HN 0.600 nan 8.210 nan 0.000 0.429 622 G N 4.700 113.535 108.800 0.059 0.000 2.388 622 G HA2 0.609 4.569 3.960 0.000 0.000 0.330 622 G HA3 0.609 4.569 3.960 0.000 0.000 0.330 622 G C -1.150 173.890 174.900 0.233 0.000 1.142 622 G CA -0.281 44.987 45.100 0.280 0.000 0.908 622 G HN 0.649 nan 8.290 nan 0.000 0.473 623 C N 1.358 120.794 119.300 0.227 0.000 2.481 623 C HA 0.530 4.990 4.460 0.000 0.000 0.324 623 C C -0.193 174.853 174.990 0.093 0.000 1.170 623 C CA -1.276 57.845 59.018 0.170 0.000 1.361 623 C CB 1.152 28.989 27.740 0.161 0.000 1.977 623 C HN 0.749 nan 8.230 nan 0.000 0.459 624 N N 1.710 120.429 118.700 0.031 0.000 2.479 624 N HA 0.656 5.396 4.740 0.000 0.000 0.261 624 N C -1.188 174.241 175.510 -0.134 0.000 0.979 624 N CA -0.087 52.948 53.050 -0.025 0.000 0.930 624 N CB 1.167 39.647 38.487 -0.012 0.000 1.172 624 N HN 0.476 nan 8.380 nan 0.000 0.499 625 V N 2.332 122.169 119.914 -0.129 0.000 2.448 625 V HA 0.564 4.684 4.120 0.000 0.000 0.295 625 V C -0.017 175.969 176.094 -0.180 0.000 1.025 625 V CA -0.795 61.386 62.300 -0.198 0.000 0.859 625 V CB 1.423 33.156 31.823 -0.151 0.000 0.988 625 V HN 0.785 nan 8.190 nan 0.000 0.431 626 S N 3.260 118.809 115.700 -0.252 0.000 2.593 626 S HA 0.940 5.410 4.470 0.000 0.000 0.297 626 S C -0.282 174.245 174.600 -0.121 0.000 1.112 626 S CA -0.426 57.644 58.200 -0.218 0.000 1.043 626 S CB 1.957 64.955 63.200 -0.337 0.000 1.054 626 S HN 1.126 nan 8.310 nan 0.000 0.516 627 S N 0.507 116.121 115.700 -0.143 0.000 2.596 627 S HA 0.707 5.177 4.470 0.000 0.000 0.270 627 S C -1.521 172.921 174.600 -0.264 0.000 1.155 627 S CA -0.809 57.301 58.200 -0.151 0.000 0.827 627 S CB 0.286 63.547 63.200 0.103 0.000 1.130 627 S HN 0.688 nan 8.310 nan 0.000 0.467 628 Y N 0.709 120.957 120.300 -0.087 0.000 2.564 628 Y HA 0.521 5.071 4.550 0.000 0.000 0.347 628 Y C 2.348 178.213 175.900 -0.057 0.000 1.284 628 Y CA -0.743 57.311 58.100 -0.076 0.000 1.449 628 Y CB 0.122 38.517 38.460 -0.109 0.000 1.606 628 Y HN 0.744 nan 8.280 nan 0.000 0.594 629 S N -0.117 115.672 115.700 0.148 0.000 2.383 629 S HA -0.182 4.288 4.470 0.000 0.000 0.229 629 S C 1.952 176.574 174.600 0.036 0.000 1.030 629 S CA 1.518 59.757 58.200 0.065 0.000 1.002 629 S CB -0.856 62.362 63.200 0.030 0.000 0.829 629 S HN 0.930 nan 8.310 nan 0.000 0.467 630 G N 1.184 109.991 108.800 0.011 0.000 2.744 630 G HA2 0.017 3.977 3.960 0.000 0.000 0.211 630 G HA3 0.017 3.977 3.960 0.000 0.000 0.211 630 G C 0.618 175.477 174.900 -0.069 0.000 1.143 630 G CA 0.061 45.144 45.100 -0.029 0.000 0.788 630 G HN 0.185 nan 8.290 nan 0.000 0.534 631 R N -0.794 119.655 120.500 -0.085 0.000 2.919 631 R HA 0.380 4.720 4.340 0.000 0.000 0.260 631 R C -1.442 174.937 176.300 0.131 0.000 1.067 631 R CA -0.936 55.104 56.100 -0.101 0.000 1.003 631 R CB 0.895 30.788 30.300 -0.679 0.000 1.192 631 R HN 0.031 nan 8.270 nan 0.000 0.488 632 N N 0.395 119.311 118.700 0.360 0.000 2.573 632 N HA 0.225 4.965 4.740 0.000 0.000 0.262 632 N C 0.032 175.812 175.510 0.450 0.000 1.029 632 N CA -0.059 53.188 53.050 0.328 0.000 0.882 632 N CB 1.667 40.294 38.487 0.234 0.000 1.204 632 N HN 0.620 nan 8.380 nan 0.000 0.519 633 A N 4.013 127.055 122.820 0.369 0.000 1.898 633 A HA -0.110 4.210 4.320 0.000 0.000 0.216 633 A C 2.131 179.760 177.584 0.074 0.000 1.181 633 A CA 1.029 53.193 52.037 0.212 0.000 0.620 633 A CB -0.321 18.753 19.000 0.122 0.000 0.819 633 A HN 0.732 nan 8.150 nan 0.000 0.442 634 R N -0.373 120.153 120.500 0.044 0.000 2.094 634 R HA -0.249 4.091 4.340 0.000 0.000 0.239 634 R C 2.182 178.399 176.300 -0.138 0.000 1.137 634 R CA 2.154 58.208 56.100 -0.078 0.000 0.943 634 R CB -0.282 30.002 30.300 -0.027 0.000 0.850 634 R HN 0.530 nan 8.270 nan 0.000 0.433 635 E N -0.051 120.176 120.200 0.046 0.000 2.077 635 E HA -0.203 4.147 4.350 0.000 0.000 0.193 635 E C 1.658 178.283 176.600 0.043 0.000 0.989 635 E CA 1.389 57.850 56.400 0.102 0.000 0.800 635 E CB -0.483 29.272 29.700 0.091 0.000 0.746 635 E HN 0.368 nan 8.360 nan 0.000 0.452 636 F N 0.666 120.549 119.950 -0.111 0.000 2.091 636 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 636 F C 1.830 177.514 175.800 -0.194 0.000 1.103 636 F CA 1.598 59.466 58.000 -0.220 0.000 1.228 636 F CB -0.363 38.268 39.000 -0.615 0.000 0.984 636 F HN 0.064 nan 8.300 nan 0.000 0.477 637 L N -0.787 120.312 121.223 -0.207 0.000 2.083 637 L HA -0.271 4.069 4.340 0.000 0.000 0.209 637 L C 2.445 179.183 176.870 -0.219 0.000 1.083 637 L CA 1.785 56.471 54.840 -0.257 0.000 0.752 637 L CB -1.018 40.924 42.059 -0.194 0.000 0.899 637 L HN 0.220 nan 8.230 nan 0.000 0.433 638 H N -1.799 117.209 119.070 -0.103 0.000 2.353 638 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 638 H C 2.427 177.677 175.328 -0.129 0.000 1.090 638 H CA 1.553 57.550 56.048 -0.084 0.000 1.327 638 H CB -0.120 29.610 29.762 -0.053 0.000 1.383 638 H HN 0.371 nan 8.280 nan 0.000 0.508 639 C N -0.188 119.068 119.300 -0.073 0.000 2.440 639 C HA -0.092 4.368 4.460 0.000 0.000 0.278 639 C C 2.819 177.661 174.990 -0.247 0.000 1.295 639 C CA 0.521 59.445 59.018 -0.157 0.000 1.738 639 C CB -0.565 27.060 27.740 -0.192 0.000 1.987 639 C HN 0.384 nan 8.230 nan 0.000 0.492 640 V N 0.717 120.393 119.914 -0.396 0.000 2.343 640 V HA -0.248 3.872 4.120 0.000 0.000 0.247 640 V C 2.535 178.477 176.094 -0.253 0.000 1.051 640 V CA 2.267 64.347 62.300 -0.367 0.000 1.036 640 V CB -0.837 30.749 31.823 -0.394 0.000 0.654 640 V HN 0.526 nan 8.190 nan 0.000 0.451 641 Q N 1.186 120.894 119.800 -0.154 0.000 2.045 641 Q HA -0.284 4.056 4.340 0.000 0.000 0.206 641 Q C 2.134 178.097 176.000 -0.062 0.000 0.991 641 Q CA 2.617 58.387 55.803 -0.055 0.000 0.851 641 Q CB -0.462 28.311 28.738 0.058 0.000 0.911 641 Q HN 0.590 nan 8.270 nan 0.000 0.418 642 K N -0.528 119.845 120.400 -0.045 0.000 2.032 642 K HA -0.131 4.189 4.320 0.000 0.000 0.209 642 K C 2.020 178.585 176.600 -0.058 0.000 1.048 642 K CA 1.988 58.260 56.287 -0.024 0.000 0.927 642 K CB -0.907 31.582 32.500 -0.018 0.000 0.712 642 K HN 0.407 nan 8.250 nan 0.000 0.441 643 C N 0.460 119.681 119.300 -0.131 0.000 2.429 643 C HA -0.009 4.451 4.460 0.000 0.000 0.277 643 C C 2.546 177.393 174.990 -0.237 0.000 1.262 643 C CA 0.665 59.574 59.018 -0.182 0.000 1.733 643 C CB -1.013 26.590 27.740 -0.229 0.000 2.010 643 C HN 0.504 nan 8.230 nan 0.000 0.483 644 L N 0.607 121.616 121.223 -0.357 0.000 2.083 644 L HA -0.132 4.208 4.340 0.000 0.000 0.209 644 L C 2.792 179.499 176.870 -0.273 0.000 1.083 644 L CA 1.286 55.796 54.840 -0.550 0.000 0.752 644 L CB -0.717 40.523 42.059 -1.365 0.000 0.899 644 L HN 0.401 nan 8.230 nan 0.000 0.433 645 E N 0.263 120.417 120.200 -0.076 0.000 2.051 645 E HA -0.219 4.131 4.350 0.000 0.000 0.192 645 E C 1.744 178.452 176.600 0.181 0.000 0.991 645 E CA 1.421 57.921 56.400 0.167 0.000 0.799 645 E CB -0.241 29.546 29.700 0.146 0.000 0.748 645 E HN 0.506 nan 8.360 nan 0.000 0.449 646 D N 0.824 121.305 120.400 0.135 0.000 2.097 646 D HA -0.109 4.531 4.640 0.000 0.000 0.195 646 D C 2.170 178.657 176.300 0.312 0.000 0.989 646 D CA 0.664 54.806 54.000 0.237 0.000 0.827 646 D CB -0.411 40.565 40.800 0.294 0.000 0.966 646 D HN 0.153 nan 8.370 nan 0.000 0.456 647 I N 0.023 120.664 120.570 0.119 0.000 2.151 647 I HA -0.302 3.868 4.170 0.000 0.000 0.243 647 I C 2.114 178.383 176.117 0.254 0.000 1.080 647 I CA 1.010 62.356 61.300 0.076 0.000 1.339 647 I CB -0.185 37.766 38.000 -0.080 0.000 1.039 647 I HN -0.087 nan 8.210 nan 0.000 0.409 648 F N 0.898 120.913 119.950 0.109 0.000 2.234 648 F HA -0.184 4.343 4.527 0.001 0.000 0.299 648 F C 2.200 178.088 175.800 0.146 0.000 1.087 648 F CA 1.245 59.342 58.000 0.162 0.000 1.340 648 F CB -0.615 38.471 39.000 0.143 0.000 1.031 648 F HN 0.089 nan 8.300 nan 0.000 0.500 649 D N 0.071 120.655 120.400 0.307 0.000 2.092 649 D HA -0.178 4.462 4.640 0.000 0.000 0.193 649 D C 2.380 178.793 176.300 0.190 0.000 0.994 649 D CA 1.634 55.759 54.000 0.209 0.000 0.828 649 D CB -0.664 40.244 40.800 0.179 0.000 0.963 649 D HN 0.203 nan 8.370 nan 0.000 0.450 650 A N 0.257 123.213 122.820 0.226 0.000 1.972 650 A HA -0.093 4.227 4.320 0.000 0.000 0.219 650 A C 2.362 180.040 177.584 0.156 0.000 1.169 650 A CA 0.847 52.996 52.037 0.187 0.000 0.635 650 A CB -0.672 18.491 19.000 0.271 0.000 0.810 650 A HN 0.226 nan 8.150 nan 0.000 0.446 651 L N -1.039 120.288 121.223 0.173 0.000 2.156 651 L HA -0.112 4.228 4.340 0.000 0.000 0.208 651 L C 2.265 179.261 176.870 0.210 0.000 1.095 651 L CA 1.155 56.084 54.840 0.148 0.000 0.770 651 L CB -0.334 41.805 42.059 0.134 0.000 0.914 651 L HN 0.421 nan 8.230 nan 0.000 0.439 652 E N -0.409 119.932 120.200 0.235 0.000 2.482 652 E HA -0.014 4.336 4.350 0.000 0.000 0.196 652 E C 1.405 178.080 176.600 0.126 0.000 1.047 652 E CA 0.528 57.048 56.400 0.200 0.000 0.869 652 E CB 0.198 29.989 29.700 0.153 0.000 0.836 652 E HN 0.532 nan 8.360 nan 0.000 0.520 653 G N 1.468 110.332 108.800 0.106 0.000 2.179 653 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 653 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 653 G C 0.026 174.964 174.900 0.063 0.000 0.990 653 G CA -0.184 44.960 45.100 0.073 0.000 0.646 653 G HN 0.129 nan 8.290 nan 0.000 0.517 654 K N 0.900 121.345 120.400 0.075 0.000 2.144 654 K HA 0.684 5.004 4.320 0.000 0.000 0.270 654 K C 0.806 177.438 176.600 0.054 0.000 1.005 654 K CA 0.027 56.351 56.287 0.062 0.000 0.932 654 K CB 1.495 34.038 32.500 0.072 0.000 1.021 654 K HN 0.505 nan 8.250 nan 0.000 0.462 655 A N 3.147 125.989 122.820 0.036 0.000 2.425 655 A HA 0.166 4.486 4.320 0.000 0.000 0.242 655 A C 0.398 178.001 177.584 0.032 0.000 1.077 655 A CA -0.274 51.775 52.037 0.021 0.000 0.781 655 A CB -0.048 18.959 19.000 0.012 0.000 1.020 655 A HN 0.693 nan 8.150 nan 0.000 0.494 656 I N 0.000 120.579 120.570 0.014 0.000 2.984 656 I HA 0.000 4.170 4.170 0.000 0.000 0.288 656 I CA 0.000 61.322 61.300 0.036 0.000 1.566 656 I CB 0.000 38.002 38.000 0.004 0.000 1.214 656 I HN 0.000 nan 8.210 nan 0.000 0.494