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 3kqx_1_C DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNVNMEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.634 174.600 0.057 0.000 1.055 86 S CA 0.000 58.238 58.200 0.064 0.000 1.107 86 S CB 0.000 63.237 63.200 0.062 0.000 0.593 87 E N 2.326 122.559 120.200 0.055 0.000 2.324 87 E HA 0.529 4.879 4.350 0.001 0.000 0.271 87 E C -0.342 176.298 176.600 0.066 0.000 1.028 87 E CA -0.211 56.220 56.400 0.051 0.000 0.890 87 E CB 0.290 30.016 29.700 0.042 0.000 1.004 87 E HN 0.317 nan 8.360 nan 0.000 0.431 88 V N 6.093 126.048 119.914 0.069 0.000 2.455 88 V HA 0.297 4.417 4.120 0.001 0.000 0.273 88 V C -1.669 174.491 176.094 0.109 0.000 1.045 88 V CA -1.190 61.172 62.300 0.104 0.000 0.976 88 V CB 0.906 32.774 31.823 0.075 0.000 0.993 88 V HN 0.832 nan 8.190 nan 0.000 0.475 89 P HA 0.325 nan 4.420 nan 0.000 0.274 89 P C -1.013 176.325 177.300 0.063 0.000 1.231 89 P CA -0.464 62.672 63.100 0.060 0.000 0.790 89 P CB 0.858 32.553 31.700 -0.009 0.000 0.951 90 Q N 0.240 120.045 119.800 0.008 0.000 2.397 90 Q HA 0.342 4.682 4.340 0.001 0.000 0.275 90 Q C 0.559 176.538 176.000 -0.035 0.000 1.090 90 Q CA -0.980 54.822 55.803 -0.003 0.000 0.809 90 Q CB 2.306 31.042 28.738 -0.003 0.000 1.362 90 Q HN 0.037 nan 8.270 nan 0.000 0.431 91 V N 0.355 120.242 119.914 -0.044 0.000 2.500 91 V HA 0.014 4.134 4.120 0.001 0.000 0.243 91 V C 0.693 176.766 176.094 -0.036 0.000 1.039 91 V CA 0.752 63.023 62.300 -0.050 0.000 1.053 91 V CB 0.458 32.246 31.823 -0.058 0.000 0.695 91 V HN 0.649 nan 8.190 nan 0.000 0.463 92 V N -2.371 117.524 119.914 -0.032 0.000 3.074 92 V HA 0.582 4.702 4.120 0.001 0.000 0.314 92 V C 1.104 177.185 176.094 -0.022 0.000 1.117 92 V CA 0.116 62.401 62.300 -0.025 0.000 1.014 92 V CB 1.442 33.249 31.823 -0.026 0.000 1.057 92 V HN 0.223 nan 8.190 nan 0.000 0.438 93 S N 0.776 116.466 115.700 -0.017 0.000 2.515 93 S HA 0.038 4.508 4.470 0.001 0.000 0.231 93 S C 1.273 175.863 174.600 -0.017 0.000 0.987 93 S CA 1.113 59.305 58.200 -0.013 0.000 0.936 93 S CB -0.766 62.429 63.200 -0.008 0.000 0.766 93 S HN 0.731 nan 8.310 nan 0.000 0.528 94 L N 0.837 122.046 121.223 -0.022 0.000 2.558 94 L HA 0.236 4.576 4.340 0.001 0.000 0.225 94 L C 0.002 176.840 176.870 -0.054 0.000 1.128 94 L CA -0.076 54.749 54.840 -0.026 0.000 0.868 94 L CB -0.447 41.602 42.059 -0.018 0.000 1.006 94 L HN 0.153 nan 8.230 nan 0.000 0.454 95 D N 1.938 122.301 120.400 -0.062 0.000 2.390 95 D HA 0.156 4.796 4.640 0.001 0.000 0.249 95 D C -2.062 174.161 176.300 -0.129 0.000 1.144 95 D CA -1.120 52.819 54.000 -0.101 0.000 0.880 95 D CB 0.927 41.693 40.800 -0.057 0.000 1.182 95 D HN -0.060 nan 8.370 nan 0.000 0.451 96 P HA 0.087 nan 4.420 nan 0.000 0.272 96 P C 0.553 177.778 177.300 -0.125 0.000 1.223 96 P CA -0.156 62.789 63.100 -0.257 0.000 0.784 96 P CB 0.537 31.824 31.700 -0.689 0.000 0.923 97 T N -3.324 111.205 114.554 -0.042 0.000 3.084 97 T HA 0.314 4.664 4.350 0.001 0.000 0.270 97 T C 0.347 175.062 174.700 0.025 0.000 1.008 97 T CA -0.179 61.921 62.100 0.000 0.000 0.900 97 T CB -0.411 68.465 68.868 0.015 0.000 1.084 97 T HN 0.516 nan 8.240 nan 0.000 0.538 98 S N 0.373 116.102 115.700 0.049 0.000 2.625 98 S HA 0.690 5.161 4.470 0.001 0.000 0.271 98 S C -1.069 173.625 174.600 0.157 0.000 1.161 98 S CA -1.206 57.040 58.200 0.077 0.000 0.820 98 S CB 0.802 64.044 63.200 0.071 0.000 1.137 98 S HN 0.276 nan 8.310 nan 0.000 0.470 99 I N 2.818 123.462 120.570 0.124 0.000 2.352 99 I HA 0.329 4.500 4.170 0.001 0.000 0.290 99 I C -2.001 174.146 176.117 0.051 0.000 1.036 99 I CA -1.939 59.445 61.300 0.140 0.000 1.336 99 I CB 0.876 38.902 38.000 0.042 0.000 1.407 99 I HN 0.493 nan 8.210 nan 0.000 0.497 100 P HA 0.310 nan 4.420 nan 0.000 0.276 100 P C -0.753 176.430 177.300 -0.195 0.000 1.230 100 P CA 0.064 63.092 63.100 -0.120 0.000 0.776 100 P CB 1.240 32.792 31.700 -0.247 0.000 0.888 101 I N 1.541 121.996 120.570 -0.192 0.000 2.512 101 I HA 0.230 4.401 4.170 0.001 0.000 0.287 101 I C 0.299 176.222 176.117 -0.323 0.000 1.069 101 I CA -0.663 60.442 61.300 -0.325 0.000 1.056 101 I CB 2.410 40.154 38.000 -0.426 0.000 1.229 101 I HN 0.317 nan 8.210 nan 0.000 0.429 102 E N 5.278 125.344 120.200 -0.224 0.000 2.167 102 E HA 0.251 4.601 4.350 0.001 0.000 0.284 102 E C -0.661 175.947 176.600 0.014 0.000 1.016 102 E CA -0.074 56.290 56.400 -0.060 0.000 0.817 102 E CB 0.903 30.634 29.700 0.052 0.000 1.080 102 E HN 0.516 nan 8.360 nan 0.000 0.397 103 Y N 2.708 123.061 120.300 0.088 0.000 2.314 103 Y HA 0.092 4.643 4.550 0.001 0.000 0.294 103 Y C 0.550 176.238 175.900 -0.353 0.000 1.139 103 Y CA -0.047 57.988 58.100 -0.107 0.000 1.162 103 Y CB 0.347 38.705 38.460 -0.171 0.000 1.121 103 Y HN 0.442 nan 8.280 nan 0.000 0.529 104 N N 1.294 119.964 118.700 -0.050 0.000 2.555 104 N HA 0.125 4.865 4.740 0.001 0.000 0.244 104 N C -0.457 175.054 175.510 0.002 0.000 1.114 104 N CA -0.188 52.784 53.050 -0.131 0.000 0.963 104 N CB 0.543 38.972 38.487 -0.097 0.000 1.276 104 N HN 0.160 nan 8.380 nan 0.000 0.510 105 T N -1.183 113.465 114.554 0.158 0.000 2.881 105 T HA 0.343 4.693 4.350 0.001 0.000 0.278 105 T C -1.778 172.849 174.700 -0.120 0.000 0.982 105 T CA -2.035 60.099 62.100 0.057 0.000 0.989 105 T CB 1.686 70.641 68.868 0.144 0.000 1.058 105 T HN 0.018 nan 8.240 nan 0.000 0.529 106 P HA 0.027 nan 4.420 nan 0.000 0.220 106 P C 1.605 178.593 177.300 -0.520 0.000 1.148 106 P CA 0.376 63.171 63.100 -0.507 0.000 0.803 106 P CB -0.113 30.993 31.700 -0.989 0.000 0.782 107 I N -0.878 119.314 120.570 -0.631 0.000 2.264 107 I HA -0.239 3.932 4.170 0.001 0.000 0.248 107 I C 1.883 177.596 176.117 -0.674 0.000 1.111 107 I CA 1.822 62.666 61.300 -0.761 0.000 1.382 107 I CB -1.837 35.464 38.000 -1.164 0.000 1.060 107 I HN 0.167 nan 8.210 nan 0.000 0.418 108 H N 0.589 119.469 119.070 -0.316 0.000 2.491 108 H HA -0.083 4.474 4.556 0.001 0.000 0.290 108 H C 1.374 176.577 175.328 -0.207 0.000 1.050 108 H CA 1.088 57.002 56.048 -0.223 0.000 1.309 108 H CB -0.016 29.651 29.762 -0.159 0.000 1.392 108 H HN 0.295 nan 8.280 nan 0.000 0.554 109 D N 0.171 120.484 120.400 -0.146 0.000 2.340 109 D HA 0.034 4.674 4.640 0.001 0.000 0.220 109 D C 0.220 176.414 176.300 -0.176 0.000 1.039 109 D CA 0.235 54.153 54.000 -0.135 0.000 0.866 109 D CB 0.234 40.959 40.800 -0.126 0.000 0.913 109 D HN 0.376 nan 8.370 nan 0.000 0.523 110 I N 1.656 122.090 120.570 -0.226 0.000 2.436 110 I HA -0.043 4.127 4.170 0.001 0.000 0.289 110 I C 0.416 176.438 176.117 -0.158 0.000 1.083 110 I CA -0.109 61.069 61.300 -0.204 0.000 1.372 110 I CB 0.369 38.238 38.000 -0.218 0.000 1.408 110 I HN -0.416 nan 8.210 nan 0.000 0.516 111 K N 5.543 125.844 120.400 -0.165 0.000 2.312 111 K HA 0.373 4.694 4.320 0.001 0.000 0.287 111 K C -0.308 176.302 176.600 0.017 0.000 1.062 111 K CA -0.538 55.712 56.287 -0.061 0.000 0.934 111 K CB 1.411 33.903 32.500 -0.013 0.000 1.027 111 K HN 0.408 nan 8.250 nan 0.000 0.478 112 V N 3.601 123.529 119.914 0.024 0.000 2.459 112 V HA 0.382 4.502 4.120 0.001 0.000 0.295 112 V C -0.152 175.925 176.094 -0.027 0.000 1.029 112 V CA -0.748 61.577 62.300 0.042 0.000 0.874 112 V CB 1.518 33.401 31.823 0.099 0.000 0.985 112 V HN 0.792 nan 8.190 nan 0.000 0.438 113 Q N 3.009 122.732 119.800 -0.128 0.000 2.321 113 Q HA 0.625 4.965 4.340 0.001 0.000 0.270 113 Q C -1.420 174.215 176.000 -0.608 0.000 1.032 113 Q CA -0.673 54.903 55.803 -0.380 0.000 0.784 113 Q CB 2.950 31.396 28.738 -0.487 0.000 1.264 113 Q HN 0.598 nan 8.270 nan 0.000 0.448 114 V N 3.149 122.758 119.914 -0.509 0.000 2.394 114 V HA 0.443 4.563 4.120 0.001 0.000 0.282 114 V C -0.911 174.852 176.094 -0.551 0.000 1.031 114 V CA -0.578 61.464 62.300 -0.431 0.000 0.881 114 V CB 0.310 32.025 31.823 -0.181 0.000 0.982 114 V HN 0.630 nan 8.190 nan 0.000 0.451 115 Y N 1.225 121.363 120.300 -0.269 0.000 2.485 115 Y HA 0.411 4.961 4.550 0.000 0.000 0.345 115 Y C 0.347 176.149 175.900 -0.162 0.000 0.998 115 Y CA -0.982 56.941 58.100 -0.295 0.000 1.059 115 Y CB 1.560 39.627 38.460 -0.655 0.000 1.234 115 Y HN 0.537 nan 8.280 nan 0.000 0.461 116 D N 2.406 122.881 120.400 0.125 0.000 2.351 116 D HA 0.044 4.685 4.640 0.001 0.000 0.251 116 D C 0.733 177.164 176.300 0.218 0.000 1.137 116 D CA 0.348 54.421 54.000 0.121 0.000 0.879 116 D CB 1.281 42.133 40.800 0.087 0.000 1.181 116 D HN 0.740 nan 8.370 nan 0.000 0.448 117 I N 3.401 124.098 120.570 0.211 0.000 2.394 117 I HA -0.284 3.887 4.170 0.001 0.000 0.251 117 I C 2.586 178.798 176.117 0.160 0.000 1.136 117 I CA 0.921 62.372 61.300 0.250 0.000 1.425 117 I CB 0.092 38.205 38.000 0.189 0.000 1.079 117 I HN 0.338 nan 8.210 nan 0.000 0.425 118 K N 0.351 120.821 120.400 0.115 0.000 2.218 118 K HA -0.110 4.211 4.320 0.001 0.000 0.205 118 K C 1.716 178.362 176.600 0.077 0.000 1.046 118 K CA 1.280 57.615 56.287 0.080 0.000 0.933 118 K CB -2.163 30.373 32.500 0.061 0.000 0.728 118 K HN 0.584 nan 8.250 nan 0.000 0.454 119 G N 0.003 108.865 108.800 0.103 0.000 2.813 119 G HA2 0.396 4.356 3.960 0.001 0.000 0.209 119 G HA3 0.396 4.356 3.960 0.001 0.000 0.209 119 G C 0.909 175.851 174.900 0.070 0.000 1.150 119 G CA 0.234 45.385 45.100 0.086 0.000 0.785 119 G HN 1.239 nan 8.290 nan 0.000 0.535 120 G N -1.629 107.210 108.800 0.066 0.000 2.758 120 G HA2 -0.101 3.859 3.960 0.001 0.000 0.686 120 G HA3 -0.101 3.859 3.960 0.001 0.000 0.686 120 G C -0.244 174.582 174.900 -0.124 0.000 1.389 120 G CA -0.506 44.585 45.100 -0.014 0.000 0.845 120 G HN 0.777 nan 8.290 nan 0.000 0.572 121 C N 1.637 120.752 119.300 -0.309 0.000 2.330 121 C HA 0.612 5.073 4.460 0.001 0.000 0.344 121 C C 0.402 175.245 174.990 -0.245 0.000 1.273 121 C CA -1.436 57.198 59.018 -0.641 0.000 1.879 121 C CB 0.460 27.760 27.740 -0.733 0.000 2.376 121 C HN 0.700 nan 8.230 nan 0.000 0.534 122 N N 1.394 120.014 118.700 -0.133 0.000 2.499 122 N HA 0.447 5.187 4.740 0.001 0.000 0.281 122 N C -0.770 174.714 175.510 -0.044 0.000 1.098 122 N CA -0.177 52.841 53.050 -0.053 0.000 0.979 122 N CB 1.392 39.862 38.487 -0.028 0.000 1.121 122 N HN 0.480 nan 8.380 nan 0.000 0.466 123 V N 2.265 122.162 119.914 -0.029 0.000 2.357 123 V HA 0.266 4.386 4.120 0.001 0.000 0.281 123 V C 0.423 176.505 176.094 -0.020 0.000 1.015 123 V CA -0.339 61.949 62.300 -0.019 0.000 0.827 123 V CB 0.963 32.785 31.823 -0.002 0.000 1.018 123 V HN 0.709 nan 8.190 nan 0.000 0.432 124 E N 3.040 123.228 120.200 -0.019 0.000 2.535 124 E HA 0.221 4.572 4.350 0.001 0.000 0.216 124 E C 0.268 176.851 176.600 -0.028 0.000 0.845 124 E CA -0.012 56.375 56.400 -0.022 0.000 1.306 124 E CB 1.335 31.025 29.700 -0.016 0.000 1.291 124 E HN 0.895 nan 8.360 nan 0.000 0.635 125 E N -0.651 119.534 120.200 -0.026 0.000 2.432 125 E HA 0.461 4.811 4.350 0.001 0.000 0.279 125 E C 0.419 177.011 176.600 -0.013 0.000 1.099 125 E CA -0.747 55.639 56.400 -0.024 0.000 0.859 125 E CB 0.606 30.296 29.700 -0.015 0.000 1.402 125 E HN 0.041 nan 8.360 nan 0.000 0.451 126 G N 0.113 108.911 108.800 -0.003 0.000 2.602 126 G HA2 -0.255 3.705 3.960 0.001 0.000 0.306 126 G HA3 -0.255 3.705 3.960 0.001 0.000 0.306 126 G C -0.730 174.169 174.900 -0.002 0.000 1.301 126 G CA 0.484 45.590 45.100 0.010 0.000 0.974 126 G HN 0.808 nan 8.290 nan 0.000 0.547 127 L N 0.450 121.672 121.223 -0.002 0.000 2.313 127 L HA 0.726 5.067 4.340 0.001 0.000 0.283 127 L C 0.233 177.076 176.870 -0.045 0.000 1.013 127 L CA -0.126 54.700 54.840 -0.022 0.000 0.816 127 L CB 2.015 44.058 42.059 -0.027 0.000 1.236 127 L HN 0.691 nan 8.230 nan 0.000 0.419 128 T N 6.397 120.915 114.554 -0.060 0.000 2.772 128 T HA 0.576 4.927 4.350 0.001 0.000 0.288 128 T C -0.392 174.215 174.700 -0.156 0.000 0.994 128 T CA -0.271 61.759 62.100 -0.116 0.000 0.951 128 T CB 0.738 69.537 68.868 -0.114 0.000 0.933 128 T HN 0.269 nan 8.240 nan 0.000 0.447 129 I N 3.902 124.337 120.570 -0.226 0.000 2.362 129 I HA 0.402 4.572 4.170 0.001 0.000 0.289 129 I C -0.487 175.461 176.117 -0.282 0.000 0.994 129 I CA -1.153 60.032 61.300 -0.191 0.000 1.158 129 I CB 0.885 38.772 38.000 -0.189 0.000 1.315 129 I HN 0.549 nan 8.210 nan 0.000 0.451 130 F N 5.895 125.819 119.950 -0.043 0.000 2.420 130 F HA 0.356 4.884 4.527 0.000 0.000 0.352 130 F C 0.536 176.301 175.800 -0.058 0.000 1.108 130 F CA -0.430 57.550 58.000 -0.033 0.000 1.162 130 F CB 0.768 39.787 39.000 0.031 0.000 1.118 130 F HN 0.151 nan 8.300 nan 0.000 0.510 131 L N 5.105 126.307 121.223 -0.035 0.000 2.261 131 L HA 0.515 4.856 4.340 0.001 0.000 0.289 131 L C -0.693 176.188 176.870 0.018 0.000 1.059 131 L CA -0.598 54.181 54.840 -0.102 0.000 0.816 131 L CB 0.592 42.397 42.059 -0.424 0.000 1.191 131 L HN 0.316 nan 8.230 nan 0.000 0.431 132 V N 3.003 122.966 119.914 0.082 0.000 2.638 132 V HA 0.479 4.599 4.120 0.001 0.000 0.306 132 V C -0.456 175.670 176.094 0.053 0.000 1.052 132 V CA -0.776 61.563 62.300 0.065 0.000 0.885 132 V CB 2.047 33.885 31.823 0.025 0.000 0.999 132 V HN 0.891 nan 8.190 nan 0.000 0.424 133 N N 2.349 121.071 118.700 0.037 0.000 2.966 133 N HA 0.488 5.228 4.740 0.001 0.000 0.314 133 N C -1.015 174.507 175.510 0.021 0.000 1.397 133 N CA -0.905 52.168 53.050 0.039 0.000 0.776 133 N CB 1.479 39.995 38.487 0.048 0.000 1.576 133 N HN 0.450 nan 8.380 nan 0.000 0.592 134 N N -0.559 118.156 118.700 0.025 0.000 2.685 134 N HA 0.377 5.118 4.740 0.001 0.000 0.252 134 N C -3.027 172.497 175.510 0.022 0.000 1.261 134 N CA -1.072 51.988 53.050 0.016 0.000 0.768 134 N CB 1.134 39.626 38.487 0.009 0.000 1.304 134 N HN 0.377 nan 8.380 nan 0.000 0.536 135 P HA 0.218 nan 4.420 nan 0.000 0.265 135 P C 0.871 178.184 177.300 0.022 0.000 1.222 135 P CA 0.730 63.846 63.100 0.027 0.000 0.767 135 P CB 0.630 32.347 31.700 0.028 0.000 0.801 136 G N 1.695 110.509 108.800 0.023 0.000 2.956 136 G HA2 -0.249 3.711 3.960 0.001 0.000 0.210 136 G HA3 -0.249 3.711 3.960 0.001 0.000 0.210 136 G C 0.463 175.374 174.900 0.018 0.000 1.316 136 G CA 0.060 45.172 45.100 0.019 0.000 0.819 136 G HN 0.797 nan 8.290 nan 0.000 0.544 137 K N 1.501 121.910 120.400 0.017 0.000 2.220 137 K HA 0.750 5.071 4.320 0.001 0.000 0.283 137 K C 0.249 176.862 176.600 0.022 0.000 1.098 137 K CA 1.413 57.709 56.287 0.015 0.000 0.928 137 K CB -0.678 31.828 32.500 0.010 0.000 1.214 137 K HN 1.931 nan 8.250 nan 0.000 0.442 138 E N 2.988 123.202 120.200 0.024 0.000 2.417 138 E HA 0.176 4.526 4.350 0.001 0.000 0.261 138 E C 0.372 176.991 176.600 0.032 0.000 1.000 138 E CA -0.015 56.403 56.400 0.029 0.000 0.919 138 E CB -0.512 29.204 29.700 0.027 0.000 0.955 138 E HN 0.754 nan 8.360 nan 0.000 0.455 139 N N 0.725 119.450 118.700 0.041 0.000 2.710 139 N HA -0.140 4.600 4.740 0.001 0.000 0.249 139 N C 0.627 176.161 175.510 0.041 0.000 1.059 139 N CA 1.083 54.163 53.050 0.050 0.000 0.720 139 N CB -1.577 36.940 38.487 0.049 0.000 0.983 139 N HN 1.001 nan 8.380 nan 0.000 0.544 140 G N 0.491 109.310 108.800 0.031 0.000 2.616 140 G HA2 0.418 4.378 3.960 0.001 0.000 0.268 140 G HA3 0.418 4.378 3.960 0.001 0.000 0.268 140 G C -2.084 172.824 174.900 0.013 0.000 1.213 140 G CA -0.643 44.467 45.100 0.017 0.000 0.926 140 G HN 0.065 nan 8.290 nan 0.000 0.523 141 P HA 0.182 nan 4.420 nan 0.000 0.274 141 P C -0.173 177.098 177.300 -0.048 0.000 1.237 141 P CA -0.342 62.747 63.100 -0.019 0.000 0.793 141 P CB 1.141 32.819 31.700 -0.036 0.000 0.977 142 V N 3.044 122.907 119.914 -0.084 0.000 2.508 142 V HA 0.121 4.241 4.120 0.001 0.000 0.281 142 V C 0.763 176.779 176.094 -0.130 0.000 1.041 142 V CA 0.527 62.719 62.300 -0.179 0.000 1.016 142 V CB -0.378 31.234 31.823 -0.352 0.000 0.984 142 V HN 0.488 nan 8.190 nan 0.000 0.478 143 K N 5.349 125.674 120.400 -0.126 0.000 2.578 143 K HA 0.504 4.824 4.320 0.001 0.000 0.250 143 K C -1.215 175.309 176.600 -0.127 0.000 0.955 143 K CA -0.733 55.487 56.287 -0.112 0.000 0.825 143 K CB 1.974 34.427 32.500 -0.077 0.000 1.151 143 K HN 0.392 nan 8.250 nan 0.000 0.432 144 I N 2.919 123.383 120.570 -0.176 0.000 2.471 144 I HA -0.018 4.152 4.170 0.001 0.000 0.286 144 I C 1.382 177.422 176.117 -0.129 0.000 1.079 144 I CA 0.419 61.578 61.300 -0.235 0.000 1.398 144 I CB 0.905 38.636 38.000 -0.447 0.000 1.403 144 I HN 0.720 nan 8.210 nan 0.000 0.530 145 S N 2.617 118.281 115.700 -0.059 0.000 2.511 145 S HA 0.144 4.614 4.470 0.001 0.000 0.214 145 S C 0.851 175.463 174.600 0.019 0.000 0.997 145 S CA -0.414 57.779 58.200 -0.011 0.000 0.908 145 S CB 0.155 63.364 63.200 0.014 0.000 0.803 145 S HN 0.551 nan 8.310 nan 0.000 0.504 146 S N 2.150 117.883 115.700 0.056 0.000 2.617 146 S HA 0.602 5.072 4.470 0.001 0.000 0.269 146 S C 0.314 174.942 174.600 0.047 0.000 1.292 146 S CA -0.480 57.775 58.200 0.091 0.000 1.010 146 S CB 0.787 64.109 63.200 0.204 0.000 0.944 146 S HN 0.731 nan 8.310 nan 0.000 0.536 147 K N 0.965 121.386 120.400 0.034 0.000 2.218 147 K HA 0.562 4.882 4.320 0.001 0.000 0.276 147 K C -0.636 175.971 176.600 0.012 0.000 1.022 147 K CA -0.534 55.762 56.287 0.015 0.000 0.946 147 K CB 0.319 32.825 32.500 0.011 0.000 1.000 147 K HN 0.480 nan 8.250 nan 0.000 0.468 148 V N 3.181 123.103 119.914 0.013 0.000 2.487 148 V HA 0.241 4.362 4.120 0.001 0.000 0.298 148 V C -0.361 175.733 176.094 0.000 0.000 1.028 148 V CA -1.160 61.149 62.300 0.015 0.000 0.860 148 V CB 1.744 33.604 31.823 0.061 0.000 0.991 148 V HN 0.931 nan 8.190 nan 0.000 0.427 149 N N 4.334 123.025 118.700 -0.016 0.000 3.259 149 N HA 0.191 4.931 4.740 0.001 0.000 0.308 149 N C -0.528 174.980 175.510 -0.003 0.000 1.334 149 N CA 0.141 53.185 53.050 -0.010 0.000 1.202 149 N CB 0.158 38.636 38.487 -0.016 0.000 1.485 149 N HN 0.771 nan 8.380 nan 0.000 0.549 150 D N -0.458 119.946 120.400 0.007 0.000 2.804 150 D HA 0.100 4.740 4.640 0.001 0.000 0.209 150 D C 0.696 177.008 176.300 0.021 0.000 1.314 150 D CA -0.224 53.784 54.000 0.013 0.000 0.894 150 D CB 1.056 41.865 40.800 0.015 0.000 1.615 150 D HN 0.118 nan 8.370 nan 0.000 0.571 151 K N 2.712 123.124 120.400 0.020 0.000 2.009 151 K HA -0.203 4.118 4.320 0.001 0.000 0.210 151 K C 1.783 178.404 176.600 0.035 0.000 1.049 151 K CA 1.517 57.817 56.287 0.022 0.000 0.929 151 K CB -0.711 31.799 32.500 0.017 0.000 0.714 151 K HN 0.514 nan 8.250 nan 0.000 0.440 152 Q N 0.255 120.082 119.800 0.045 0.000 2.030 152 Q HA -0.110 4.230 4.340 0.001 0.000 0.204 152 Q C 2.364 178.416 176.000 0.088 0.000 0.986 152 Q CA 1.823 57.667 55.803 0.068 0.000 0.843 152 Q CB -0.853 27.929 28.738 0.073 0.000 0.904 152 Q HN 0.428 nan 8.270 nan 0.000 0.420 153 V N 1.085 121.040 119.914 0.068 0.000 2.343 153 V HA -0.226 3.894 4.120 0.001 0.000 0.247 153 V C 2.416 178.569 176.094 0.100 0.000 1.051 153 V CA 1.852 64.204 62.300 0.087 0.000 1.036 153 V CB -0.824 31.038 31.823 0.065 0.000 0.654 153 V HN 0.274 nan 8.190 nan 0.000 0.451 154 S N -0.171 115.564 115.700 0.057 0.000 2.374 154 S HA -0.250 4.221 4.470 0.001 0.000 0.227 154 S C 2.115 176.728 174.600 0.021 0.000 1.037 154 S CA 1.810 60.026 58.200 0.026 0.000 1.024 154 S CB -0.330 62.877 63.200 0.011 0.000 0.861 154 S HN 0.715 nan 8.310 nan 0.000 0.456 155 E N 0.309 120.533 120.200 0.040 0.000 2.077 155 E HA -0.057 4.293 4.350 0.001 0.000 0.193 155 E C 1.646 178.252 176.600 0.009 0.000 0.989 155 E CA 0.887 57.298 56.400 0.018 0.000 0.800 155 E CB -0.657 29.062 29.700 0.031 0.000 0.746 155 E HN 0.738 nan 8.360 nan 0.000 0.452 156 F N 0.426 120.341 119.950 -0.059 0.000 2.216 156 F HA -0.000 4.527 4.527 0.001 0.000 0.300 156 F C 1.845 177.554 175.800 -0.152 0.000 1.085 156 F CA 1.252 59.194 58.000 -0.097 0.000 1.326 156 F CB 0.070 39.021 39.000 -0.082 0.000 1.027 156 F HN 0.057 nan 8.300 nan 0.000 0.497 157 L N -0.168 121.080 121.223 0.042 0.000 2.611 157 L HA 0.019 4.360 4.340 0.001 0.000 0.229 157 L C 0.715 177.510 176.870 -0.124 0.000 1.137 157 L CA -0.196 54.611 54.840 -0.054 0.000 0.901 157 L CB -0.668 41.349 42.059 -0.069 0.000 1.098 157 L HN -0.312 nan 8.230 nan 0.000 0.456 158 K N 0.220 120.542 120.400 -0.131 0.000 2.518 158 K HA -0.076 4.244 4.320 0.001 0.000 0.276 158 K C 0.778 177.291 176.600 -0.145 0.000 0.974 158 K CA -0.125 56.086 56.287 -0.127 0.000 0.986 158 K CB 0.559 32.987 32.500 -0.120 0.000 0.901 158 K HN 0.141 nan 8.250 nan 0.000 0.497 159 D N 1.561 121.889 120.400 -0.119 0.000 2.116 159 D HA -0.155 4.486 4.640 0.001 0.000 0.193 159 D C 2.032 178.253 176.300 -0.131 0.000 0.998 159 D CA 1.830 55.762 54.000 -0.114 0.000 0.836 159 D CB -0.206 40.540 40.800 -0.090 0.000 0.951 159 D HN 0.635 nan 8.370 nan 0.000 0.449 160 E N 1.031 121.152 120.200 -0.132 0.000 2.114 160 E HA -0.189 4.161 4.350 0.001 0.000 0.199 160 E C 1.789 178.271 176.600 -0.197 0.000 1.008 160 E CA 1.120 57.434 56.400 -0.145 0.000 0.810 160 E CB -0.762 28.860 29.700 -0.130 0.000 0.739 160 E HN 0.449 nan 8.360 nan 0.000 0.456 161 N N -0.309 118.249 118.700 -0.237 0.000 2.270 161 N HA 0.028 4.768 4.740 0.001 0.000 0.181 161 N C 1.520 176.839 175.510 -0.319 0.000 1.016 161 N CA 1.096 53.945 53.050 -0.334 0.000 0.870 161 N CB -0.148 38.049 38.487 -0.484 0.000 0.979 161 N HN 0.266 nan 8.380 nan 0.000 0.431 162 M N 0.584 120.058 119.600 -0.210 0.000 2.502 162 M HA 0.034 4.515 4.480 0.001 0.000 0.243 162 M C 1.541 177.755 176.300 -0.143 0.000 1.130 162 M CA 0.490 55.754 55.300 -0.060 0.000 1.055 162 M CB -0.422 32.161 32.600 -0.028 0.000 1.457 162 M HN 0.253 nan 8.290 nan 0.000 0.488 163 E N 1.236 121.303 120.200 -0.222 0.000 2.216 163 E HA -0.165 4.185 4.350 0.001 0.000 0.192 163 E C 1.497 177.967 176.600 -0.218 0.000 0.988 163 E CA 0.926 57.222 56.400 -0.173 0.000 0.834 163 E CB -0.496 29.117 29.700 -0.145 0.000 0.772 163 E HN 0.554 nan 8.360 nan 0.000 0.479 164 K N 0.519 120.678 120.400 -0.402 0.000 2.442 164 K HA -0.083 4.237 4.320 0.001 0.000 0.199 164 K C -0.254 176.122 176.600 -0.373 0.000 1.044 164 K CA 0.673 56.679 56.287 -0.468 0.000 0.941 164 K CB -0.420 31.670 32.500 -0.684 0.000 0.759 164 K HN 0.134 nan 8.250 nan 0.000 0.472 165 F N 1.807 121.784 119.950 0.046 0.000 2.492 165 F HA 0.278 4.805 4.527 0.000 0.000 0.327 165 F C 0.286 176.113 175.800 0.046 0.000 1.079 165 F CA -1.487 56.579 58.000 0.110 0.000 0.967 165 F CB 1.301 40.422 39.000 0.202 0.000 1.169 165 F HN 0.042 nan 8.300 nan 0.000 0.472 166 N N -0.748 118.143 118.700 0.319 0.000 2.545 166 N HA 0.450 5.191 4.740 0.001 0.000 0.289 166 N C -0.381 175.248 175.510 0.199 0.000 1.279 166 N CA -0.845 52.309 53.050 0.173 0.000 0.824 166 N CB 1.426 39.989 38.487 0.125 0.000 1.395 166 N HN 0.379 nan 8.380 nan 0.000 0.526 167 V N -3.817 116.171 119.914 0.123 0.000 3.514 167 V HA 0.308 4.428 4.120 0.001 0.000 0.301 167 V C 0.628 176.801 176.094 0.131 0.000 1.346 167 V CA -0.371 62.010 62.300 0.136 0.000 1.156 167 V CB -1.452 30.409 31.823 0.063 0.000 1.029 167 V HN 0.712 nan 8.190 nan 0.000 0.428 168 K N 1.615 122.089 120.400 0.122 0.000 2.550 168 K HA 0.038 4.358 4.320 0.001 0.000 0.280 168 K C 0.093 176.744 176.600 0.085 0.000 0.987 168 K CA -0.134 56.208 56.287 0.091 0.000 1.048 168 K CB 0.274 32.823 32.500 0.083 0.000 0.879 168 K HN 0.560 nan 8.250 nan 0.000 0.491 169 L N 4.776 126.040 121.223 0.069 0.000 2.601 169 L HA -0.050 4.290 4.340 0.001 0.000 0.277 169 L C 1.169 178.067 176.870 0.047 0.000 1.219 169 L CA 1.702 56.579 54.840 0.061 0.000 0.915 169 L CB -0.263 41.831 42.059 0.059 0.000 1.160 169 L HN 1.174 nan 8.230 nan 0.000 0.494 170 G N 2.290 111.110 108.800 0.033 0.000 2.199 170 G HA2 -0.289 3.671 3.960 0.001 0.000 0.254 170 G HA3 -0.289 3.671 3.960 0.001 0.000 0.254 170 G C 0.501 175.384 174.900 -0.028 0.000 0.982 170 G CA 0.418 45.520 45.100 0.003 0.000 0.632 170 G HN 0.686 nan 8.290 nan 0.000 0.529 171 T N 0.895 115.443 114.554 -0.011 0.000 2.899 171 T HA 0.601 4.952 4.350 0.001 0.000 0.295 171 T C 0.521 175.094 174.700 -0.213 0.000 1.033 171 T CA 1.168 63.240 62.100 -0.047 0.000 1.084 171 T CB 0.832 69.729 68.868 0.048 0.000 0.979 171 T HN 1.635 nan 8.240 nan 0.000 0.532 172 S N 2.613 118.112 115.700 -0.335 0.000 2.596 172 S HA 0.824 5.294 4.470 0.001 0.000 0.270 172 S C -1.587 172.613 174.600 -0.666 0.000 1.155 172 S CA -1.109 56.692 58.200 -0.665 0.000 0.827 172 S CB 2.026 64.928 63.200 -0.497 0.000 1.130 172 S HN 0.668 nan 8.310 nan 0.000 0.467 173 K N -0.119 119.722 120.400 -0.932 0.000 2.508 173 K HA 0.642 4.962 4.320 0.001 0.000 0.260 173 K C -2.032 174.050 176.600 -0.864 0.000 0.949 173 K CA -0.421 55.441 56.287 -0.708 0.000 0.834 173 K CB 1.750 33.785 32.500 -0.776 0.000 1.365 173 K HN 0.819 nan 8.250 nan 0.000 0.437 174 H N 0.584 119.293 119.070 -0.602 0.000 2.538 174 H HA 0.587 5.143 4.556 0.001 0.000 0.353 174 H C -1.082 174.034 175.328 -0.354 0.000 1.109 174 H CA -0.406 55.335 56.048 -0.512 0.000 1.192 174 H CB 0.931 30.559 29.762 -0.223 0.000 1.555 174 H HN 0.323 nan 8.280 nan 0.000 0.518 175 F N 1.620 121.624 119.950 0.089 0.000 2.577 175 F HA 0.336 4.863 4.527 0.000 0.000 0.318 175 F C -1.009 174.751 175.800 -0.066 0.000 1.065 175 F CA -1.183 56.798 58.000 -0.033 0.000 0.929 175 F CB 1.861 40.721 39.000 -0.234 0.000 1.237 175 F HN 0.412 nan 8.300 nan 0.000 0.468 176 Y N 4.834 125.084 120.300 -0.083 0.000 2.391 176 Y HA 0.709 5.259 4.550 0.001 0.000 0.341 176 Y C -0.893 174.848 175.900 -0.266 0.000 0.965 176 Y CA -1.112 56.898 58.100 -0.150 0.000 1.067 176 Y CB 1.436 39.845 38.460 -0.084 0.000 1.199 176 Y HN 0.648 nan 8.280 nan 0.000 0.450 177 M N 3.412 122.549 119.600 -0.772 0.000 2.924 177 M HA 0.561 5.041 4.480 0.001 0.000 0.271 177 M C -2.207 173.672 176.300 -0.702 0.000 1.280 177 M CA -0.830 54.133 55.300 -0.562 0.000 0.813 177 M CB 2.406 34.795 32.600 -0.351 0.000 1.658 177 M HN 0.503 nan 8.290 nan 0.000 0.467 178 F N 2.494 122.287 119.950 -0.262 0.000 2.427 178 F HA 0.418 4.946 4.527 0.001 0.000 0.346 178 F C 0.500 176.239 175.800 -0.101 0.000 1.120 178 F CA -0.257 57.638 58.000 -0.175 0.000 1.033 178 F CB 1.358 40.298 39.000 -0.100 0.000 1.126 178 F HN 0.752 nan 8.300 nan 0.000 0.462 179 N N 1.023 119.757 118.700 0.057 0.000 2.328 179 N HA 0.030 4.770 4.740 0.001 0.000 0.277 179 N C 0.490 176.043 175.510 0.073 0.000 1.286 179 N CA -0.233 52.843 53.050 0.044 0.000 0.949 179 N CB 0.254 38.744 38.487 0.004 0.000 1.136 179 N HN 0.428 nan 8.380 nan 0.000 0.550 180 D N -1.123 119.304 120.400 0.044 0.000 2.218 180 D HA -0.103 4.537 4.640 0.001 0.000 0.204 180 D C 0.320 176.642 176.300 0.036 0.000 0.976 180 D CA 1.004 55.025 54.000 0.036 0.000 0.853 180 D CB -0.351 40.462 40.800 0.023 0.000 0.939 180 D HN 0.496 nan 8.370 nan 0.000 0.481 181 N N 0.570 119.294 118.700 0.041 0.000 2.362 181 N HA -0.024 4.716 4.740 0.001 0.000 0.204 181 N C 0.518 176.067 175.510 0.065 0.000 1.166 181 N CA 0.556 53.630 53.050 0.040 0.000 0.831 181 N CB 0.118 38.623 38.487 0.030 0.000 1.008 181 N HN 0.235 nan 8.380 nan 0.000 0.472 182 K N 0.257 120.713 120.400 0.094 0.000 3.177 182 K HA -0.254 4.067 4.320 0.001 0.000 0.266 182 K C -0.467 176.311 176.600 0.298 0.000 0.937 182 K CA 1.321 57.703 56.287 0.157 0.000 0.702 182 K CB -2.877 29.638 32.500 0.025 0.000 1.365 182 K HN 0.648 nan 8.250 nan 0.000 0.466 183 N N 0.079 118.928 118.700 0.248 0.000 2.314 183 N HA 0.509 5.249 4.740 0.001 0.000 0.304 183 N C -0.015 175.432 175.510 -0.104 0.000 1.073 183 N CA -0.290 52.849 53.050 0.148 0.000 0.822 183 N CB 1.834 40.347 38.487 0.045 0.000 1.280 183 N HN 0.532 nan 8.380 nan 0.000 0.489 184 S N 0.710 116.167 115.700 -0.406 0.000 2.562 184 S HA 0.365 4.836 4.470 0.001 0.000 0.281 184 S C -0.178 174.123 174.600 -0.499 0.000 1.333 184 S CA -0.485 57.162 58.200 -0.922 0.000 1.052 184 S CB 0.819 63.514 63.200 -0.841 0.000 0.884 184 S HN 0.315 nan 8.310 nan 0.000 0.506 185 V N 1.686 121.255 119.914 -0.576 0.000 2.932 185 V HA 0.741 4.861 4.120 0.001 0.000 0.307 185 V C -0.352 175.580 176.094 -0.270 0.000 1.147 185 V CA -0.420 61.700 62.300 -0.301 0.000 0.951 185 V CB 2.064 33.759 31.823 -0.214 0.000 1.031 185 V HN 1.343 nan 8.190 nan 0.000 0.426 186 A N 4.916 127.671 122.820 -0.108 0.000 2.305 186 A HA 0.920 5.240 4.320 0.001 0.000 0.322 186 A C -1.040 176.536 177.584 -0.014 0.000 1.187 186 A CA -0.428 51.596 52.037 -0.022 0.000 0.825 186 A CB 1.511 20.543 19.000 0.052 0.000 1.164 186 A HN 0.887 nan 8.150 nan 0.000 0.498 187 V N 0.798 120.719 119.914 0.013 0.000 3.007 187 V HA 0.923 5.044 4.120 0.001 0.000 0.311 187 V C 0.492 176.514 176.094 -0.120 0.000 1.120 187 V CA 0.172 62.516 62.300 0.073 0.000 0.980 187 V CB 2.228 34.201 31.823 0.250 0.000 1.033 187 V HN 1.543 nan 8.190 nan 0.000 0.429 188 G N 1.153 109.877 108.800 -0.127 0.000 2.550 188 G HA2 0.715 4.675 3.960 0.001 0.000 0.293 188 G HA3 0.715 4.675 3.960 0.001 0.000 0.293 188 G C -2.044 172.793 174.900 -0.104 0.000 1.402 188 G CA -0.369 44.429 45.100 -0.504 0.000 0.784 188 G HN 1.275 nan 8.290 nan 0.000 0.482 189 Y N -1.753 118.347 120.300 -0.333 0.000 2.597 189 Y HA 0.802 5.353 4.550 0.001 0.000 0.340 189 Y C -1.400 174.394 175.900 -0.176 0.000 1.097 189 Y CA -1.510 56.519 58.100 -0.119 0.000 1.037 189 Y CB 1.679 40.143 38.460 0.006 0.000 1.305 189 Y HN 0.521 nan 8.280 nan 0.000 0.463 190 V N 2.365 122.216 119.914 -0.105 0.000 2.555 190 V HA 0.722 4.842 4.120 0.001 0.000 0.302 190 V C 0.389 176.565 176.094 0.137 0.000 1.038 190 V CA -0.429 61.779 62.300 -0.154 0.000 0.887 190 V CB 1.574 33.321 31.823 -0.128 0.000 0.991 190 V HN 1.127 nan 8.190 nan 0.000 0.434 191 G N 1.802 110.691 108.800 0.148 0.000 2.370 191 G HA2 0.344 4.304 3.960 0.001 0.000 0.272 191 G HA3 0.344 4.304 3.960 0.001 0.000 0.272 191 G C 0.347 175.313 174.900 0.109 0.000 1.208 191 G CA -0.197 45.040 45.100 0.227 0.000 0.856 191 G HN 0.888 nan 8.290 nan 0.000 0.500 192 C N 2.146 121.504 119.300 0.096 0.000 2.881 192 C HA 0.659 5.120 4.460 0.001 0.000 0.290 192 C C 1.584 176.616 174.990 0.071 0.000 1.362 192 C CA 0.042 59.103 59.018 0.072 0.000 1.757 192 C CB -1.565 26.209 27.740 0.057 0.000 2.265 192 C HN 1.388 nan 8.230 nan 0.000 0.600 193 G N 1.892 110.736 108.800 0.073 0.000 2.632 193 G HA2 -0.179 3.782 3.960 0.001 0.000 0.224 193 G HA3 -0.179 3.782 3.960 0.001 0.000 0.224 193 G C 0.536 175.469 174.900 0.054 0.000 1.341 193 G CA 0.231 45.369 45.100 0.064 0.000 0.880 193 G HN 0.826 nan 8.290 nan 0.000 0.566 194 S N -1.957 113.772 115.700 0.049 0.000 2.578 194 S HA 0.483 4.953 4.470 0.001 0.000 0.228 194 S C 0.414 175.038 174.600 0.041 0.000 1.022 194 S CA 0.822 59.047 58.200 0.041 0.000 0.967 194 S CB 0.890 64.111 63.200 0.036 0.000 0.914 194 S HN 1.364 nan 8.310 nan 0.000 0.515 195 V N 3.021 122.962 119.914 0.046 0.000 2.334 195 V HA 0.579 4.700 4.120 0.001 0.000 0.267 195 V C 1.394 177.519 176.094 0.052 0.000 1.040 195 V CA -0.104 62.224 62.300 0.046 0.000 0.866 195 V CB 0.345 32.197 31.823 0.048 0.000 1.019 195 V HN 0.479 nan 8.190 nan 0.000 0.468 196 A N 3.072 125.921 122.820 0.049 0.000 2.234 196 A HA 0.052 4.373 4.320 0.001 0.000 0.216 196 A C 1.140 178.761 177.584 0.061 0.000 1.167 196 A CA 1.357 53.426 52.037 0.054 0.000 0.698 196 A CB -0.736 18.293 19.000 0.048 0.000 0.779 196 A HN 0.945 nan 8.150 nan 0.000 0.475 197 D N 0.088 120.523 120.400 0.059 0.000 2.453 197 D HA 0.587 5.227 4.640 0.001 0.000 0.238 197 D C -0.517 175.823 176.300 0.068 0.000 1.088 197 D CA -0.555 53.482 54.000 0.062 0.000 0.854 197 D CB 0.367 41.199 40.800 0.053 0.000 1.076 197 D HN 0.287 nan 8.370 nan 0.000 0.533 198 L N 2.361 123.633 121.223 0.081 0.000 2.290 198 L HA 0.407 4.748 4.340 0.001 0.000 0.284 198 L C 1.431 178.348 176.870 0.078 0.000 1.078 198 L CA -0.743 54.151 54.840 0.089 0.000 0.815 198 L CB 1.419 43.549 42.059 0.117 0.000 1.162 198 L HN 0.641 nan 8.230 nan 0.000 0.435 199 S N 1.614 117.357 115.700 0.072 0.000 2.617 199 S HA 0.003 4.473 4.470 0.001 0.000 0.259 199 S C 1.070 175.695 174.600 0.042 0.000 1.301 199 S CA -0.440 57.791 58.200 0.051 0.000 0.984 199 S CB 1.047 64.289 63.200 0.069 0.000 0.954 199 S HN 0.749 nan 8.310 nan 0.000 0.572 200 E N 1.035 121.211 120.200 -0.040 0.000 2.085 200 E HA -0.214 4.136 4.350 0.001 0.000 0.194 200 E C 1.959 178.632 176.600 0.121 0.000 0.994 200 E CA 1.714 58.031 56.400 -0.138 0.000 0.801 200 E CB -0.786 28.728 29.700 -0.311 0.000 0.743 200 E HN 0.780 nan 8.360 nan 0.000 0.453 201 A N 1.154 124.049 122.820 0.125 0.000 1.968 201 A HA -0.140 4.180 4.320 0.001 0.000 0.217 201 A C 1.851 179.525 177.584 0.151 0.000 1.169 201 A CA 1.495 53.628 52.037 0.159 0.000 0.638 201 A CB -0.303 18.782 19.000 0.142 0.000 0.812 201 A HN 0.234 nan 8.150 nan 0.000 0.446 202 D N -0.665 119.815 120.400 0.133 0.000 2.097 202 D HA -0.150 4.491 4.640 0.001 0.000 0.195 202 D C 1.803 178.196 176.300 0.156 0.000 0.989 202 D CA 1.714 55.788 54.000 0.124 0.000 0.827 202 D CB -0.385 40.479 40.800 0.107 0.000 0.966 202 D HN 0.396 nan 8.370 nan 0.000 0.456 203 M N 0.970 120.700 119.600 0.216 0.000 2.213 203 M HA -0.116 4.364 4.480 0.001 0.000 0.263 203 M C 1.798 178.247 176.300 0.248 0.000 1.062 203 M CA 1.440 56.910 55.300 0.284 0.000 1.105 203 M CB -0.128 32.726 32.600 0.425 0.000 1.385 203 M HN -0.195 nan 8.290 nan 0.000 0.417 204 K N -0.401 120.162 120.400 0.272 0.000 2.057 204 K HA -0.102 4.219 4.320 0.001 0.000 0.207 204 K C 2.072 178.722 176.600 0.082 0.000 1.049 204 K CA 1.482 57.865 56.287 0.159 0.000 0.931 204 K CB -0.109 32.519 32.500 0.214 0.000 0.714 204 K HN 0.338 nan 8.250 nan 0.000 0.440 205 R N -0.083 120.473 120.500 0.093 0.000 2.092 205 R HA -0.069 4.272 4.340 0.001 0.000 0.231 205 R C 2.216 178.536 176.300 0.034 0.000 1.119 205 R CA 1.374 57.508 56.100 0.057 0.000 0.970 205 R CB -0.375 29.962 30.300 0.061 0.000 0.864 205 R HN 0.083 nan 8.270 nan 0.000 0.440 206 V N 0.632 120.581 119.914 0.058 0.000 2.295 206 V HA -0.225 3.896 4.120 0.001 0.000 0.246 206 V C 2.441 178.540 176.094 0.009 0.000 1.049 206 V CA 1.660 63.987 62.300 0.045 0.000 1.024 206 V CB -0.383 31.497 31.823 0.095 0.000 0.648 206 V HN 0.096 nan 8.190 nan 0.000 0.447 207 V N -0.553 119.356 119.914 -0.009 0.000 2.343 207 V HA -0.236 3.884 4.120 0.001 0.000 0.247 207 V C 2.414 178.422 176.094 -0.143 0.000 1.051 207 V CA 1.565 63.779 62.300 -0.143 0.000 1.036 207 V CB -0.633 31.014 31.823 -0.293 0.000 0.654 207 V HN 0.363 nan 8.190 nan 0.000 0.451 208 L N 0.224 121.397 121.223 -0.084 0.000 2.012 208 L HA -0.161 4.179 4.340 0.001 0.000 0.210 208 L C 2.635 179.452 176.870 -0.088 0.000 1.073 208 L CA 2.101 56.899 54.840 -0.070 0.000 0.748 208 L CB -1.401 40.645 42.059 -0.020 0.000 0.891 208 L HN 0.330 nan 8.230 nan 0.000 0.431 209 S N -0.617 115.035 115.700 -0.079 0.000 2.382 209 S HA -0.162 4.308 4.470 0.001 0.000 0.228 209 S C 1.853 176.362 174.600 -0.151 0.000 1.027 209 S CA 1.051 59.190 58.200 -0.103 0.000 0.991 209 S CB -0.408 62.730 63.200 -0.103 0.000 0.823 209 S HN 0.331 nan 8.310 nan 0.000 0.469 210 L N 2.076 123.202 121.223 -0.161 0.000 2.046 210 L HA -0.019 4.321 4.340 0.001 0.000 0.208 210 L C 2.145 178.859 176.870 -0.260 0.000 1.077 210 L CA 1.613 56.330 54.840 -0.204 0.000 0.747 210 L CB -0.828 41.130 42.059 -0.169 0.000 0.896 210 L HN 0.144 nan 8.230 nan 0.000 0.432 211 V N -0.147 119.598 119.914 -0.282 0.000 2.490 211 V HA -0.268 3.853 4.120 0.001 0.000 0.250 211 V C 2.706 178.572 176.094 -0.382 0.000 1.061 211 V CA 1.886 63.945 62.300 -0.401 0.000 1.064 211 V CB -1.415 30.194 31.823 -0.356 0.000 0.670 211 V HN 0.770 nan 8.190 nan 0.000 0.461 212 T N -1.975 112.460 114.554 -0.198 0.000 2.833 212 T HA -0.215 4.135 4.350 0.001 0.000 0.269 212 T C 1.721 176.387 174.700 -0.056 0.000 1.054 212 T CA 1.612 63.661 62.100 -0.085 0.000 1.135 212 T CB -0.399 68.447 68.868 -0.036 0.000 0.869 212 T HN 0.419 nan 8.240 nan 0.000 0.466 213 M N 0.431 119.969 119.600 -0.103 0.000 2.394 213 M HA 0.213 4.693 4.480 0.001 0.000 0.264 213 M C 2.005 178.285 176.300 -0.034 0.000 1.073 213 M CA 1.132 56.415 55.300 -0.028 0.000 1.111 213 M CB -0.444 32.045 32.600 -0.185 0.000 1.401 213 M HN 0.249 nan 8.290 nan 0.000 0.448 214 L N -1.623 119.505 121.223 -0.158 0.000 2.307 214 L HA 0.028 4.369 4.340 0.001 0.000 0.211 214 L C 0.721 177.609 176.870 0.031 0.000 1.099 214 L CA 0.049 54.803 54.840 -0.144 0.000 0.816 214 L CB -0.571 41.236 42.059 -0.419 0.000 0.952 214 L HN 0.203 nan 8.230 nan 0.000 0.455 215 H N 1.077 120.142 119.070 -0.008 0.000 2.629 215 H HA 0.070 4.626 4.556 0.001 0.000 0.357 215 H C 0.178 175.486 175.328 -0.032 0.000 1.121 215 H CA -0.626 55.414 56.048 -0.012 0.000 1.406 215 H CB 0.614 30.368 29.762 -0.013 0.000 1.456 215 H HN 0.095 nan 8.280 nan 0.000 0.579 216 D N 0.495 120.937 120.400 0.070 0.000 2.911 216 D HA -0.233 4.407 4.640 0.001 0.000 0.227 216 D C -0.224 176.070 176.300 -0.010 0.000 1.164 216 D CA 0.741 54.743 54.000 0.004 0.000 0.782 216 D CB -0.745 40.054 40.800 -0.002 0.000 1.094 216 D HN 0.476 nan 8.370 nan 0.000 0.425 217 N N 0.320 119.023 118.700 0.005 0.000 2.242 217 N HA 0.365 5.105 4.740 0.001 0.000 0.292 217 N C -1.163 174.347 175.510 0.000 0.000 1.125 217 N CA -0.520 52.523 53.050 -0.011 0.000 0.783 217 N CB 1.585 40.069 38.487 -0.006 0.000 1.558 217 N HN -0.199 nan 8.380 nan 0.000 0.472 218 K N 1.770 122.167 120.400 -0.004 0.000 2.263 218 K HA 0.588 4.909 4.320 0.001 0.000 0.272 218 K C -0.967 175.645 176.600 0.021 0.000 1.033 218 K CA -0.095 56.196 56.287 0.006 0.000 0.884 218 K CB 0.702 33.201 32.500 -0.001 0.000 1.107 218 K HN 0.410 nan 8.250 nan 0.000 0.460 219 L N 1.651 122.898 121.223 0.040 0.000 2.422 219 L HA 0.334 4.675 4.340 0.001 0.000 0.264 219 L C 0.797 177.713 176.870 0.077 0.000 0.984 219 L CA -0.451 54.419 54.840 0.051 0.000 0.819 219 L CB 2.218 44.304 42.059 0.045 0.000 1.330 219 L HN 0.707 nan 8.230 nan 0.000 0.410 220 S N 1.263 117.013 115.700 0.083 0.000 2.486 220 S HA 0.126 4.596 4.470 0.001 0.000 0.220 220 S C 0.392 175.096 174.600 0.173 0.000 1.011 220 S CA 0.238 58.513 58.200 0.124 0.000 0.921 220 S CB 0.238 63.511 63.200 0.121 0.000 0.785 220 S HN 0.607 nan 8.310 nan 0.000 0.517 221 K N 0.147 120.624 120.400 0.128 0.000 2.535 221 K HA 0.537 4.858 4.320 0.001 0.000 0.251 221 K C -2.155 174.493 176.600 0.079 0.000 0.942 221 K CA -0.912 55.457 56.287 0.138 0.000 0.798 221 K CB 1.698 34.265 32.500 0.111 0.000 1.267 221 K HN 0.214 nan 8.250 nan 0.000 0.434 222 L N 3.098 124.366 121.223 0.075 0.000 2.322 222 L HA 0.601 4.941 4.340 0.001 0.000 0.281 222 L C -0.915 175.991 176.870 0.059 0.000 1.014 222 L CA 0.163 55.019 54.840 0.026 0.000 0.815 222 L CB 1.903 43.946 42.059 -0.026 0.000 1.247 222 L HN 0.743 nan 8.230 nan 0.000 0.421 223 T N 3.500 118.076 114.554 0.037 0.000 2.863 223 T HA 0.786 5.137 4.350 0.001 0.000 0.285 223 T C -1.181 173.520 174.700 0.001 0.000 1.009 223 T CA -0.539 61.609 62.100 0.080 0.000 0.989 223 T CB 1.409 70.387 68.868 0.185 0.000 1.004 223 T HN 0.435 nan 8.240 nan 0.000 0.455 224 V N 4.232 124.176 119.914 0.050 0.000 2.487 224 V HA 0.551 4.672 4.120 0.001 0.000 0.298 224 V C -0.369 175.708 176.094 -0.028 0.000 1.028 224 V CA -0.818 61.442 62.300 -0.066 0.000 0.860 224 V CB 1.872 33.669 31.823 -0.044 0.000 0.991 224 V HN 0.881 nan 8.190 nan 0.000 0.427 225 V N 5.116 124.888 119.914 -0.236 0.000 2.328 225 V HA 0.419 4.540 4.120 0.001 0.000 0.278 225 V C -0.447 175.578 176.094 -0.115 0.000 1.021 225 V CA -0.440 61.774 62.300 -0.144 0.000 0.838 225 V CB 1.048 32.563 31.823 -0.513 0.000 0.999 225 V HN 0.666 nan 8.190 nan 0.000 0.447 226 F N 3.400 123.310 119.950 -0.066 0.000 2.462 226 F HA 0.273 4.800 4.527 0.001 0.000 0.360 226 F C 1.335 177.134 175.800 -0.002 0.000 1.134 226 F CA -0.001 57.951 58.000 -0.080 0.000 1.148 226 F CB 0.483 39.394 39.000 -0.148 0.000 1.147 226 F HN 0.552 nan 8.300 nan 0.000 0.550 227 E N 5.016 125.285 120.200 0.115 0.000 2.499 227 E HA 0.204 4.554 4.350 0.001 0.000 0.207 227 E C -0.133 176.527 176.600 0.099 0.000 1.034 227 E CA -0.026 56.449 56.400 0.125 0.000 1.098 227 E CB 0.250 30.033 29.700 0.138 0.000 1.148 227 E HN 0.587 nan 8.360 nan 0.000 0.447 228 I N -3.507 117.140 120.570 0.128 0.000 3.145 228 I HA 0.447 4.618 4.170 0.001 0.000 0.313 228 I C -0.557 175.649 176.117 0.148 0.000 1.122 228 I CA -1.168 60.206 61.300 0.123 0.000 0.987 228 I CB 2.034 40.100 38.000 0.109 0.000 1.236 228 I HN -0.247 nan 8.210 nan 0.000 0.453 229 N N 2.471 121.241 118.700 0.117 0.000 2.425 229 N HA 0.548 5.288 4.740 0.001 0.000 0.268 229 N C -1.275 174.305 175.510 0.116 0.000 0.991 229 N CA -0.310 52.800 53.050 0.101 0.000 0.931 229 N CB 1.941 40.476 38.487 0.079 0.000 1.130 229 N HN 0.617 nan 8.380 nan 0.000 0.493 230 V N 0.484 120.463 119.914 0.108 0.000 2.841 230 V HA 0.468 4.589 4.120 0.001 0.000 0.310 230 V C -0.327 175.869 176.094 0.170 0.000 1.090 230 V CA -1.117 61.264 62.300 0.135 0.000 0.930 230 V CB 1.690 33.608 31.823 0.157 0.000 1.014 230 V HN 0.627 nan 8.190 nan 0.000 0.425 231 D N 2.806 123.302 120.400 0.160 0.000 2.414 231 D HA 0.237 4.878 4.640 0.001 0.000 0.251 231 D C 0.840 177.288 176.300 0.247 0.000 1.252 231 D CA -0.237 53.856 54.000 0.155 0.000 0.999 231 D CB 0.837 41.685 40.800 0.080 0.000 1.093 231 D HN 0.573 nan 8.370 nan 0.000 0.515 232 K N -0.773 119.710 120.400 0.137 0.000 2.057 232 K HA -0.113 4.208 4.320 0.001 0.000 0.207 232 K C 1.706 178.436 176.600 0.216 0.000 1.049 232 K CA 1.226 57.603 56.287 0.149 0.000 0.931 232 K CB -0.133 32.320 32.500 -0.079 0.000 0.714 232 K HN 0.328 nan 8.250 nan 0.000 0.440 233 N N 0.776 119.558 118.700 0.136 0.000 2.223 233 N HA -0.152 4.588 4.740 0.001 0.000 0.185 233 N C 1.642 177.267 175.510 0.191 0.000 1.016 233 N CA 0.888 54.016 53.050 0.129 0.000 0.863 233 N CB -0.103 38.425 38.487 0.070 0.000 0.983 233 N HN 0.078 nan 8.380 nan 0.000 0.429 234 L N -0.104 121.245 121.223 0.209 0.000 2.209 234 L HA 0.114 4.455 4.340 0.001 0.000 0.207 234 L C 1.890 178.959 176.870 0.331 0.000 1.094 234 L CA 0.882 55.875 54.840 0.255 0.000 0.790 234 L CB -0.660 41.517 42.059 0.197 0.000 0.932 234 L HN -0.018 nan 8.230 nan 0.000 0.447 235 F N 0.325 120.360 119.950 0.141 0.000 2.134 235 F HA -0.175 4.352 4.527 0.001 0.000 0.299 235 F C 2.700 178.579 175.800 0.132 0.000 1.097 235 F CA 1.836 59.856 58.000 0.034 0.000 1.264 235 F CB -0.276 38.665 39.000 -0.098 0.000 1.001 235 F HN 0.045 nan 8.300 nan 0.000 0.479 236 R N -0.633 119.961 120.500 0.157 0.000 2.081 236 R HA -0.218 4.122 4.340 0.001 0.000 0.235 236 R C 2.399 178.703 176.300 0.007 0.000 1.131 236 R CA 1.861 57.965 56.100 0.007 0.000 0.960 236 R CB -0.923 29.418 30.300 0.070 0.000 0.856 236 R HN 0.397 nan 8.270 nan 0.000 0.436 237 F N 0.833 120.779 119.950 -0.007 0.000 2.126 237 F HA -0.255 4.273 4.527 0.001 0.000 0.299 237 F C 1.865 177.634 175.800 -0.053 0.000 1.096 237 F CA 1.605 59.605 58.000 -0.001 0.000 1.255 237 F CB -0.616 38.412 39.000 0.048 0.000 0.997 237 F HN 0.072 nan 8.300 nan 0.000 0.479 238 F N 0.270 120.145 119.950 -0.126 0.000 2.065 238 F HA -0.269 4.258 4.527 0.001 0.000 0.298 238 F C 1.908 177.429 175.800 -0.466 0.000 1.112 238 F CA 1.764 59.613 58.000 -0.252 0.000 1.212 238 F CB -0.758 38.194 39.000 -0.079 0.000 0.975 238 F HN -0.025 nan 8.300 nan 0.000 0.476 239 L N 0.873 121.755 121.223 -0.568 0.000 1.994 239 L HA -0.194 4.146 4.340 0.001 0.000 0.208 239 L C 2.387 178.609 176.870 -1.081 0.000 1.071 239 L CA 1.885 56.137 54.840 -0.981 0.000 0.745 239 L CB -1.452 40.101 42.059 -0.844 0.000 0.892 239 L HN 0.243 nan 8.230 nan 0.000 0.431 240 E N -1.318 118.551 120.200 -0.553 0.000 2.086 240 E HA -0.245 4.105 4.350 0.001 0.000 0.200 240 E C 1.955 178.418 176.600 -0.230 0.000 1.012 240 E CA 2.077 58.352 56.400 -0.210 0.000 0.812 240 E CB -0.199 29.478 29.700 -0.039 0.000 0.743 240 E HN 0.490 nan 8.360 nan 0.000 0.453 241 T N 1.224 115.480 114.554 -0.497 0.000 2.812 241 T HA -0.109 4.241 4.350 0.001 0.000 0.264 241 T C 1.832 176.329 174.700 -0.338 0.000 1.042 241 T CA 0.795 62.628 62.100 -0.445 0.000 1.140 241 T CB -0.239 68.162 68.868 -0.779 0.000 0.870 241 T HN 0.044 nan 8.240 nan 0.000 0.445 242 L N 0.860 121.722 121.223 -0.601 0.000 2.012 242 L HA -0.053 4.288 4.340 0.001 0.000 0.210 242 L C 1.958 178.738 176.870 -0.151 0.000 1.073 242 L CA 1.873 56.399 54.840 -0.522 0.000 0.748 242 L CB -0.980 40.566 42.059 -0.855 0.000 0.891 242 L HN 0.098 nan 8.230 nan 0.000 0.431 243 F N -0.992 118.796 119.950 -0.271 0.000 2.095 243 F HA -0.227 4.301 4.527 0.001 0.000 0.298 243 F C 2.572 178.266 175.800 -0.177 0.000 1.104 243 F CA 1.462 59.249 58.000 -0.354 0.000 1.232 243 F CB -1.672 36.921 39.000 -0.679 0.000 0.987 243 F HN 0.220 nan 8.300 nan 0.000 0.475 244 Y N 1.233 121.636 120.300 0.171 0.000 2.163 244 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 244 Y C 2.336 178.317 175.900 0.134 0.000 1.136 244 Y CA 1.757 60.014 58.100 0.261 0.000 1.147 244 Y CB -0.308 38.278 38.460 0.211 0.000 0.987 244 Y HN -0.033 nan 8.280 nan 0.000 0.509 245 E N -0.849 119.416 120.200 0.108 0.000 2.106 245 E HA -0.227 4.123 4.350 0.001 0.000 0.192 245 E C 1.987 178.633 176.600 0.077 0.000 0.984 245 E CA 1.129 57.541 56.400 0.020 0.000 0.806 245 E CB -0.793 28.915 29.700 0.013 0.000 0.750 245 E HN 0.558 nan 8.360 nan 0.000 0.458 246 Y N 1.236 121.495 120.300 -0.068 0.000 2.163 246 Y HA -0.068 4.483 4.550 0.001 0.000 0.288 246 Y C 1.131 177.121 175.900 0.151 0.000 1.136 246 Y CA 0.415 58.516 58.100 0.000 0.000 1.147 246 Y CB -0.340 38.117 38.460 -0.006 0.000 0.987 246 Y HN -0.011 nan 8.280 nan 0.000 0.509 247 M N 1.489 121.098 119.600 0.015 0.000 2.284 247 M HA 0.080 4.560 4.480 0.001 0.000 0.351 247 M C -0.622 175.628 176.300 -0.083 0.000 1.443 247 M CA 0.838 56.030 55.300 -0.181 0.000 1.031 247 M CB 0.080 32.382 32.600 -0.496 0.000 1.893 247 M HN 0.072 nan 8.290 nan 0.000 0.456 248 T N 4.412 118.984 114.554 0.031 0.000 2.779 248 T HA 0.244 4.594 4.350 0.001 0.000 0.280 248 T C -0.977 173.762 174.700 0.065 0.000 0.987 248 T CA -0.572 61.549 62.100 0.034 0.000 0.966 248 T CB 0.703 69.573 68.868 0.003 0.000 0.933 248 T HN 0.577 nan 8.240 nan 0.000 0.442 249 D N 2.687 123.143 120.400 0.094 0.000 2.411 249 D HA 0.122 4.763 4.640 0.001 0.000 0.225 249 D C 0.478 176.803 176.300 0.041 0.000 1.156 249 D CA -0.253 53.819 54.000 0.120 0.000 0.874 249 D CB 0.675 41.548 40.800 0.122 0.000 1.034 249 D HN 0.507 nan 8.370 nan 0.000 0.502 250 E N 2.897 123.098 120.200 0.002 0.000 2.569 250 E HA 0.104 4.454 4.350 0.001 0.000 0.205 250 E C 1.333 177.864 176.600 -0.115 0.000 1.006 250 E CA -0.198 56.185 56.400 -0.029 0.000 0.985 250 E CB 0.633 30.320 29.700 -0.022 0.000 1.060 250 E HN 0.401 nan 8.360 nan 0.000 0.460 251 R N -0.121 120.236 120.500 -0.238 0.000 2.127 251 R HA -0.103 4.237 4.340 0.001 0.000 0.238 251 R C 0.986 176.880 176.300 -0.677 0.000 1.134 251 R CA 1.331 57.116 56.100 -0.525 0.000 0.975 251 R CB -0.066 29.726 30.300 -0.846 0.000 0.865 251 R HN 0.133 nan 8.270 nan 0.000 0.447 252 F N 0.431 120.306 119.950 -0.125 0.000 2.653 252 F HA 0.200 4.727 4.527 0.001 0.000 0.304 252 F C 0.493 176.255 175.800 -0.064 0.000 1.092 252 F CA -0.306 57.615 58.000 -0.131 0.000 1.279 252 F CB 0.333 39.225 39.000 -0.180 0.000 1.044 252 F HN -0.363 nan 8.300 nan 0.000 0.564 253 K N 0.348 120.774 120.400 0.044 0.000 2.237 253 K HA 0.326 4.646 4.320 0.001 0.000 0.270 253 K C 0.796 177.403 176.600 0.011 0.000 1.015 253 K CA 0.132 56.436 56.287 0.029 0.000 0.949 253 K CB 1.964 34.468 32.500 0.005 0.000 0.976 253 K HN 0.092 nan 8.250 nan 0.000 0.472 254 S N 0.079 115.790 115.700 0.018 0.000 4.403 254 S HA -0.070 4.400 4.470 0.001 0.000 0.183 254 S C 1.229 175.834 174.600 0.009 0.000 1.070 254 S CA 0.520 58.728 58.200 0.015 0.000 1.145 254 S CB -0.319 62.900 63.200 0.031 0.000 1.585 254 S HN 0.671 nan 8.310 nan 0.000 0.634 255 T N -0.878 113.683 114.554 0.012 0.000 3.129 255 T HA 0.231 4.582 4.350 0.001 0.000 0.251 255 T C 0.430 175.131 174.700 0.001 0.000 1.117 255 T CA 1.178 63.282 62.100 0.006 0.000 1.034 255 T CB -0.035 68.838 68.868 0.008 0.000 0.968 255 T HN 0.356 nan 8.240 nan 0.000 0.526 256 D N 0.401 120.802 120.400 0.002 0.000 2.650 256 D HA 0.234 4.874 4.640 0.001 0.000 0.265 256 D C -0.255 176.039 176.300 -0.011 0.000 1.339 256 D CA -0.511 53.486 54.000 -0.004 0.000 0.816 256 D CB 0.153 40.954 40.800 0.001 0.000 1.091 256 D HN 0.244 nan 8.370 nan 0.000 0.483 257 K N 0.701 121.093 120.400 -0.012 0.000 2.489 257 K HA 0.044 4.365 4.320 0.001 0.000 0.278 257 K C 0.332 176.915 176.600 -0.029 0.000 1.000 257 K CA -0.177 56.097 56.287 -0.020 0.000 1.012 257 K CB 0.359 32.848 32.500 -0.019 0.000 0.903 257 K HN 0.101 nan 8.250 nan 0.000 0.485 258 N N 2.926 121.601 118.700 -0.041 0.000 2.405 258 N HA -0.012 4.728 4.740 0.001 0.000 0.260 258 N C 0.819 176.296 175.510 -0.055 0.000 1.152 258 N CA 0.096 53.111 53.050 -0.058 0.000 0.948 258 N CB 1.049 39.482 38.487 -0.090 0.000 1.111 258 N HN 0.535 nan 8.380 nan 0.000 0.485 259 V N 3.269 123.156 119.914 -0.046 0.000 2.427 259 V HA -0.257 3.864 4.120 0.001 0.000 0.248 259 V C 1.865 177.932 176.094 -0.046 0.000 1.051 259 V CA 2.677 64.954 62.300 -0.038 0.000 1.048 259 V CB -1.345 30.460 31.823 -0.030 0.000 0.666 259 V HN 0.809 nan 8.190 nan 0.000 0.456 260 N N -0.690 117.974 118.700 -0.059 0.000 2.314 260 N HA 0.525 5.266 4.740 0.001 0.000 0.200 260 N C 0.825 176.278 175.510 -0.096 0.000 1.135 260 N CA 0.798 53.809 53.050 -0.065 0.000 0.835 260 N CB -0.503 37.950 38.487 -0.057 0.000 0.989 260 N HN 1.055 nan 8.380 nan 0.000 0.478 261 M N 0.892 120.418 119.600 -0.123 0.000 2.201 261 M HA 0.685 5.165 4.480 0.001 0.000 0.345 261 M C 0.247 176.419 176.300 -0.214 0.000 1.352 261 M CA -0.475 54.696 55.300 -0.215 0.000 1.218 261 M CB -1.359 31.096 32.600 -0.242 0.000 1.512 261 M HN 0.712 nan 8.290 nan 0.000 0.447 262 E N 1.898 121.961 120.200 -0.228 0.000 2.227 262 E HA 0.763 5.113 4.350 0.001 0.000 0.268 262 E C -1.740 174.702 176.600 -0.262 0.000 0.907 262 E CA -0.679 55.637 56.400 -0.139 0.000 0.786 262 E CB 1.334 31.009 29.700 -0.041 0.000 1.191 262 E HN 0.876 nan 8.360 nan 0.000 0.411 263 Y N 0.256 120.521 120.300 -0.058 0.000 2.387 263 Y HA 0.432 4.982 4.550 0.001 0.000 0.336 263 Y C 1.271 177.207 175.900 0.060 0.000 1.067 263 Y CA -1.094 56.972 58.100 -0.057 0.000 1.114 263 Y CB 1.481 39.785 38.460 -0.261 0.000 1.208 263 Y HN 0.754 nan 8.280 nan 0.000 0.458 264 I N 0.708 121.483 120.570 0.342 0.000 3.058 264 I HA -0.023 4.147 4.170 0.001 0.000 0.299 264 I C 0.400 176.586 176.117 0.116 0.000 1.238 264 I CA -0.077 61.351 61.300 0.214 0.000 1.423 264 I CB 0.786 38.906 38.000 0.201 0.000 1.330 264 I HN 0.571 nan 8.210 nan 0.000 0.589 265 K N 3.149 123.574 120.400 0.042 0.000 2.354 265 K HA 0.253 4.573 4.320 0.001 0.000 0.194 265 K C -0.089 176.239 176.600 -0.452 0.000 1.045 265 K CA 0.532 56.715 56.287 -0.173 0.000 1.026 265 K CB 0.086 32.472 32.500 -0.190 0.000 0.866 265 K HN 0.693 nan 8.250 nan 0.000 0.530 266 H N -0.182 118.921 119.070 0.054 0.000 2.806 266 H HA 0.342 4.899 4.556 0.001 0.000 0.367 266 H C -1.252 174.115 175.328 0.066 0.000 1.136 266 H CA -1.051 55.029 56.048 0.053 0.000 1.178 266 H CB 2.240 32.038 29.762 0.059 0.000 1.718 266 H HN -0.146 nan 8.280 nan 0.000 0.540 267 L N 1.776 123.100 121.223 0.167 0.000 2.376 267 L HA 0.598 4.939 4.340 0.001 0.000 0.275 267 L C -0.284 176.660 176.870 0.124 0.000 0.987 267 L CA -0.195 54.730 54.840 0.142 0.000 0.828 267 L CB 1.673 43.823 42.059 0.152 0.000 1.249 267 L HN 0.779 nan 8.230 nan 0.000 0.409 268 G N 4.039 112.922 108.800 0.139 0.000 2.388 268 G HA2 0.639 4.599 3.960 0.001 0.000 0.330 268 G HA3 0.639 4.599 3.960 0.001 0.000 0.330 268 G C -1.632 173.341 174.900 0.122 0.000 1.142 268 G CA -0.510 44.662 45.100 0.120 0.000 0.908 268 G HN 0.495 nan 8.290 nan 0.000 0.473 269 V N 2.088 122.012 119.914 0.018 0.000 2.525 269 V HA 0.345 4.466 4.120 0.001 0.000 0.299 269 V C -1.335 174.772 176.094 0.022 0.000 1.034 269 V CA -0.834 61.541 62.300 0.126 0.000 0.863 269 V CB 1.322 33.265 31.823 0.201 0.000 0.999 269 V HN 0.685 nan 8.190 nan 0.000 0.423 270 Y N 5.135 125.530 120.300 0.158 0.000 2.331 270 Y HA 0.779 5.329 4.550 0.000 0.000 0.338 270 Y C 0.068 176.016 175.900 0.080 0.000 0.992 270 Y CA -0.397 57.783 58.100 0.133 0.000 1.121 270 Y CB 1.751 40.270 38.460 0.097 0.000 1.184 270 Y HN 0.589 nan 8.280 nan 0.000 0.469 271 I N 2.143 122.772 120.570 0.098 0.000 3.004 271 I HA 0.322 4.492 4.170 0.001 0.000 0.305 271 I C -1.239 174.859 176.117 -0.032 0.000 1.312 271 I CA -0.843 60.419 61.300 -0.063 0.000 0.992 271 I CB 2.013 39.710 38.000 -0.505 0.000 1.282 271 I HN 0.595 nan 8.210 nan 0.000 0.449 272 N N 4.711 123.396 118.700 -0.026 0.000 2.492 272 N HA 0.184 4.924 4.740 0.001 0.000 0.262 272 N C -0.651 174.902 175.510 0.072 0.000 1.202 272 N CA 0.148 53.219 53.050 0.035 0.000 0.926 272 N CB 0.151 38.666 38.487 0.047 0.000 1.078 272 N HN 0.554 nan 8.380 nan 0.000 0.454 273 N N 0.625 119.363 118.700 0.064 0.000 2.727 273 N HA -0.242 4.499 4.740 0.001 0.000 0.251 273 N C 0.436 175.998 175.510 0.086 0.000 1.040 273 N CA 0.620 53.704 53.050 0.056 0.000 0.712 273 N CB -1.245 37.265 38.487 0.038 0.000 0.912 273 N HN 0.677 nan 8.380 nan 0.000 0.545 274 A N 0.280 123.130 122.820 0.049 0.000 1.908 274 A HA -0.203 4.117 4.320 0.001 0.000 0.218 274 A C 1.850 179.428 177.584 -0.010 0.000 1.181 274 A CA 1.911 53.957 52.037 0.015 0.000 0.627 274 A CB -0.144 18.839 19.000 -0.029 0.000 0.818 274 A HN 0.360 nan 8.150 nan 0.000 0.445 275 D N -1.078 119.305 120.400 -0.029 0.000 2.172 275 D HA -0.132 4.508 4.640 0.001 0.000 0.196 275 D C 1.891 178.132 176.300 -0.098 0.000 0.999 275 D CA 1.836 55.804 54.000 -0.053 0.000 0.856 275 D CB -0.518 40.256 40.800 -0.042 0.000 0.934 275 D HN 0.419 nan 8.370 nan 0.000 0.453 276 T N -1.324 113.135 114.554 -0.159 0.000 2.995 276 T HA -0.110 4.240 4.350 0.001 0.000 0.269 276 T C 1.230 175.661 174.700 -0.448 0.000 1.091 276 T CA 0.641 62.557 62.100 -0.306 0.000 1.128 276 T CB -0.072 68.563 68.868 -0.389 0.000 0.891 276 T HN 0.189 nan 8.240 nan 0.000 0.492 277 Y N 0.588 120.718 120.300 -0.284 0.000 2.497 277 Y HA 0.375 4.926 4.550 0.001 0.000 0.265 277 Y C 2.248 178.013 175.900 -0.225 0.000 1.111 277 Y CA -0.024 57.826 58.100 -0.416 0.000 1.288 277 Y CB 0.141 37.999 38.460 -1.003 0.000 1.082 277 Y HN 0.082 nan 8.280 nan 0.000 0.536 278 K N 0.594 120.975 120.400 -0.033 0.000 2.152 278 K HA -0.224 4.097 4.320 0.001 0.000 0.206 278 K C 2.294 178.912 176.600 0.030 0.000 1.048 278 K CA 1.564 57.853 56.287 0.002 0.000 0.933 278 K CB -0.124 32.358 32.500 -0.030 0.000 0.721 278 K HN 0.490 nan 8.250 nan 0.000 0.447 279 E N 1.663 121.862 120.200 -0.002 0.000 2.204 279 E HA -0.188 4.162 4.350 0.001 0.000 0.195 279 E C 1.625 178.246 176.600 0.036 0.000 0.990 279 E CA 1.170 57.571 56.400 0.001 0.000 0.821 279 E CB -0.402 29.277 29.700 -0.034 0.000 0.750 279 E HN 0.307 nan 8.360 nan 0.000 0.477 280 E N 0.136 120.395 120.200 0.099 0.000 2.274 280 E HA -0.033 4.317 4.350 0.001 0.000 0.194 280 E C 2.293 178.981 176.600 0.145 0.000 0.996 280 E CA 0.844 57.331 56.400 0.145 0.000 0.840 280 E CB -0.091 29.805 29.700 0.327 0.000 0.772 280 E HN 0.467 nan 8.360 nan 0.000 0.491 281 V N 2.004 122.030 119.914 0.187 0.000 2.233 281 V HA -0.238 3.883 4.120 0.001 0.000 0.247 281 V C 2.253 178.435 176.094 0.147 0.000 1.050 281 V CA 1.851 64.253 62.300 0.169 0.000 1.010 281 V CB -0.336 31.585 31.823 0.164 0.000 0.637 281 V HN 0.159 nan 8.190 nan 0.000 0.444 282 E N -0.141 120.124 120.200 0.109 0.000 2.152 282 E HA -0.182 4.168 4.350 0.001 0.000 0.192 282 E C 2.143 178.801 176.600 0.098 0.000 0.983 282 E CA 0.902 57.367 56.400 0.110 0.000 0.818 282 E CB -0.296 29.451 29.700 0.078 0.000 0.758 282 E HN 0.564 nan 8.360 nan 0.000 0.467 283 K N 0.812 121.226 120.400 0.024 0.000 2.063 283 K HA -0.131 4.190 4.320 0.001 0.000 0.208 283 K C 2.063 178.604 176.600 -0.099 0.000 1.048 283 K CA 1.293 57.524 56.287 -0.093 0.000 0.928 283 K CB -0.069 32.301 32.500 -0.218 0.000 0.713 283 K HN 0.062 nan 8.250 nan 0.000 0.442 284 A N 1.293 124.108 122.820 -0.008 0.000 1.908 284 A HA -0.220 4.100 4.320 0.001 0.000 0.218 284 A C 2.109 179.908 177.584 0.357 0.000 1.181 284 A CA 1.860 53.951 52.037 0.090 0.000 0.627 284 A CB -0.562 18.412 19.000 -0.043 0.000 0.818 284 A HN 0.391 nan 8.150 nan 0.000 0.445 285 R N -0.673 120.071 120.500 0.406 0.000 2.096 285 R HA -0.067 4.273 4.340 0.001 0.000 0.235 285 R C 1.824 178.454 176.300 0.550 0.000 1.127 285 R CA 1.676 58.061 56.100 0.475 0.000 0.968 285 R CB -0.386 30.076 30.300 0.269 0.000 0.861 285 R HN 0.295 nan 8.270 nan 0.000 0.440 286 V N -0.255 119.940 119.914 0.467 0.000 2.379 286 V HA -0.191 3.929 4.120 0.001 0.000 0.245 286 V C 1.781 178.281 176.094 0.675 0.000 1.044 286 V CA 1.389 64.032 62.300 0.572 0.000 1.036 286 V CB -0.602 31.438 31.823 0.361 0.000 0.664 286 V HN 0.295 nan 8.190 nan 0.000 0.453 287 Y N -0.187 120.292 120.300 0.299 0.000 2.224 287 Y HA -0.230 4.320 4.550 0.001 0.000 0.289 287 Y C 2.499 178.544 175.900 0.242 0.000 1.146 287 Y CA 1.217 59.453 58.100 0.226 0.000 1.182 287 Y CB -1.211 37.343 38.460 0.156 0.000 0.983 287 Y HN 0.480 nan 8.280 nan 0.000 0.524 288 Y N -0.669 119.874 120.300 0.405 0.000 2.165 288 Y HA -0.308 4.242 4.550 0.001 0.000 0.286 288 Y C 2.265 178.375 175.900 0.350 0.000 1.155 288 Y CA 1.640 59.946 58.100 0.345 0.000 1.164 288 Y CB -1.136 37.577 38.460 0.422 0.000 0.978 288 Y HN 0.038 nan 8.280 nan 0.000 0.513 289 F N 1.091 120.900 119.950 -0.236 0.000 2.206 289 F HA 0.099 4.626 4.527 0.001 0.000 0.298 289 F C 2.438 178.104 175.800 -0.223 0.000 1.090 289 F CA 1.506 59.238 58.000 -0.446 0.000 1.323 289 F CB -0.876 38.013 39.000 -0.184 0.000 1.028 289 F HN 0.124 nan 8.300 nan 0.000 0.492 290 G N -0.732 108.062 108.800 -0.010 0.000 2.469 290 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 290 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 290 G C 1.665 176.471 174.900 -0.156 0.000 1.150 290 G CA 1.566 46.662 45.100 -0.007 0.000 0.763 290 G HN 0.382 nan 8.290 nan 0.000 0.561 291 T N -0.455 114.017 114.554 -0.136 0.000 2.770 291 T HA -0.105 4.246 4.350 0.001 0.000 0.263 291 T C 2.006 176.643 174.700 -0.104 0.000 1.039 291 T CA 1.168 63.177 62.100 -0.152 0.000 1.142 291 T CB -0.313 68.443 68.868 -0.187 0.000 0.868 291 T HN 0.301 nan 8.240 nan 0.000 0.435 292 Y N 0.794 120.942 120.300 -0.253 0.000 2.224 292 Y HA -0.179 4.371 4.550 0.001 0.000 0.289 292 Y C 2.205 177.877 175.900 -0.380 0.000 1.146 292 Y CA 0.787 58.772 58.100 -0.191 0.000 1.182 292 Y CB -0.621 37.587 38.460 -0.419 0.000 0.983 292 Y HN 0.310 nan 8.280 nan 0.000 0.524 293 Y N 0.166 119.915 120.300 -0.918 0.000 2.145 293 Y HA -0.230 4.320 4.550 0.001 0.000 0.286 293 Y C 2.474 178.076 175.900 -0.497 0.000 1.145 293 Y CA 1.886 59.454 58.100 -0.887 0.000 1.148 293 Y CB -0.914 36.917 38.460 -1.047 0.000 0.981 293 Y HN 0.125 nan 8.280 nan 0.000 0.507 294 A N -0.716 121.925 122.820 -0.298 0.000 1.892 294 A HA -0.274 4.047 4.320 0.001 0.000 0.218 294 A C 2.517 179.955 177.584 -0.244 0.000 1.188 294 A CA 2.264 54.166 52.037 -0.224 0.000 0.631 294 A CB -1.595 17.349 19.000 -0.094 0.000 0.822 294 A HN 0.543 nan 8.150 nan 0.000 0.447 295 S N -0.811 114.757 115.700 -0.219 0.000 2.359 295 S HA -0.274 4.197 4.470 0.001 0.000 0.224 295 S C 2.174 176.604 174.600 -0.284 0.000 1.035 295 S CA 1.876 59.977 58.200 -0.165 0.000 1.018 295 S CB -0.449 62.752 63.200 0.001 0.000 0.876 295 S HN 0.675 nan 8.310 nan 0.000 0.448 296 Q N 0.166 119.649 119.800 -0.529 0.000 2.096 296 Q HA -0.094 4.246 4.340 0.001 0.000 0.204 296 Q C 2.326 178.138 176.000 -0.314 0.000 0.982 296 Q CA 1.739 57.255 55.803 -0.479 0.000 0.850 296 Q CB -0.344 28.002 28.738 -0.655 0.000 0.901 296 Q HN 0.554 nan 8.270 nan 0.000 0.422 297 L N -0.024 120.967 121.223 -0.387 0.000 2.056 297 L HA -0.172 4.169 4.340 0.001 0.000 0.207 297 L C 2.307 179.111 176.870 -0.110 0.000 1.078 297 L CA 0.873 55.553 54.840 -0.266 0.000 0.749 297 L CB -0.386 41.470 42.059 -0.338 0.000 0.901 297 L HN 0.239 nan 8.230 nan 0.000 0.433 298 I N 0.110 120.636 120.570 -0.073 0.000 2.202 298 I HA -0.235 3.935 4.170 0.001 0.000 0.242 298 I C 2.807 179.005 176.117 0.136 0.000 1.091 298 I CA 1.176 62.516 61.300 0.066 0.000 1.368 298 I CB -0.450 37.627 38.000 0.128 0.000 1.058 298 I HN 0.160 nan 8.210 nan 0.000 0.410 299 A N 0.988 123.873 122.820 0.109 0.000 1.972 299 A HA 0.067 4.387 4.320 0.001 0.000 0.219 299 A C 1.624 179.221 177.584 0.022 0.000 1.169 299 A CA 0.890 53.011 52.037 0.140 0.000 0.635 299 A CB -0.815 18.245 19.000 0.100 0.000 0.810 299 A HN 0.366 nan 8.150 nan 0.000 0.446 300 A N 1.015 123.844 122.820 0.015 0.000 2.561 300 A HA 0.424 4.744 4.320 0.001 0.000 0.251 300 A C -2.199 175.328 177.584 -0.095 0.000 1.062 300 A CA -0.785 51.229 52.037 -0.039 0.000 0.761 300 A CB -0.488 18.566 19.000 0.090 0.000 0.986 300 A HN 0.295 nan 8.150 nan 0.000 0.510 301 P HA 0.112 nan 4.420 nan 0.000 0.270 301 P C 0.929 178.230 177.300 0.003 0.000 1.223 301 P CA -0.125 62.909 63.100 -0.110 0.000 0.785 301 P CB 0.595 32.199 31.700 -0.159 0.000 0.923 302 S N 0.828 116.522 115.700 -0.009 0.000 2.419 302 S HA -0.144 4.326 4.470 0.001 0.000 0.233 302 S C 1.518 176.083 174.600 -0.057 0.000 1.016 302 S CA 1.325 59.519 58.200 -0.009 0.000 0.974 302 S CB -0.883 62.314 63.200 -0.005 0.000 0.786 302 S HN 0.659 nan 8.310 nan 0.000 0.492 303 N N 0.371 119.036 118.700 -0.058 0.000 2.396 303 N HA -0.106 4.635 4.740 0.001 0.000 0.180 303 N C 1.193 176.603 175.510 -0.166 0.000 1.028 303 N CA 1.051 54.047 53.050 -0.090 0.000 0.893 303 N CB -0.544 37.874 38.487 -0.115 0.000 0.967 303 N HN 0.452 nan 8.380 nan 0.000 0.440 304 Y N 0.522 120.787 120.300 -0.058 0.000 2.262 304 Y HA 0.190 4.740 4.550 0.001 0.000 0.295 304 Y C 1.135 177.004 175.900 -0.052 0.000 1.121 304 Y CA 0.367 58.463 58.100 -0.008 0.000 1.144 304 Y CB -0.038 38.466 38.460 0.075 0.000 1.043 304 Y HN 0.119 nan 8.280 nan 0.000 0.528 305 C N 3.044 122.394 119.300 0.084 0.000 2.206 305 C HA 0.482 4.942 4.460 0.001 0.000 0.324 305 C C -0.328 174.599 174.990 -0.106 0.000 1.120 305 C CA -0.858 58.157 59.018 -0.004 0.000 1.546 305 C CB -2.537 25.212 27.740 0.015 0.000 2.023 305 C HN 0.563 nan 8.230 nan 0.000 0.448 306 N N 4.198 122.761 118.700 -0.228 0.000 2.701 306 N HA 0.651 5.391 4.740 0.001 0.000 0.290 306 N C -2.561 172.787 175.510 -0.271 0.000 1.338 306 N CA -1.701 51.086 53.050 -0.439 0.000 0.799 306 N CB 0.664 38.434 38.487 -1.194 0.000 1.491 306 N HN 0.040 nan 8.380 nan 0.000 0.540 307 P HA -0.096 nan 4.420 nan 0.000 0.218 307 P C 0.914 178.204 177.300 -0.016 0.000 1.149 307 P CA 0.783 63.859 63.100 -0.040 0.000 0.817 307 P CB 0.231 31.967 31.700 0.060 0.000 0.785 308 V N 0.025 119.915 119.914 -0.039 0.000 2.302 308 V HA -0.179 3.942 4.120 0.001 0.000 0.243 308 V C 2.501 178.593 176.094 -0.003 0.000 1.036 308 V CA 2.298 64.611 62.300 0.022 0.000 1.020 308 V CB -1.685 30.183 31.823 0.075 0.000 0.657 308 V HN 0.230 nan 8.190 nan 0.000 0.453 309 S N 0.610 116.280 115.700 -0.049 0.000 2.399 309 S HA -0.171 4.299 4.470 0.001 0.000 0.231 309 S C 1.941 176.535 174.600 -0.009 0.000 1.022 309 S CA 1.638 59.825 58.200 -0.021 0.000 0.983 309 S CB -0.537 62.645 63.200 -0.030 0.000 0.803 309 S HN 0.385 nan 8.310 nan 0.000 0.480 310 L N 2.854 124.061 121.223 -0.027 0.000 2.072 310 L HA 0.043 4.383 4.340 0.001 0.000 0.205 310 L C 2.610 179.488 176.870 0.013 0.000 1.079 310 L CA 2.084 56.916 54.840 -0.014 0.000 0.752 310 L CB -1.078 40.964 42.059 -0.029 0.000 0.906 310 L HN 0.536 nan 8.230 nan 0.000 0.436 311 S N -0.919 114.794 115.700 0.022 0.000 2.399 311 S HA -0.149 4.322 4.470 0.001 0.000 0.231 311 S C 1.837 176.459 174.600 0.037 0.000 1.022 311 S CA 1.131 59.357 58.200 0.044 0.000 0.983 311 S CB -0.825 62.416 63.200 0.068 0.000 0.803 311 S HN 0.516 nan 8.310 nan 0.000 0.480 312 N N 2.671 121.390 118.700 0.031 0.000 2.142 312 N HA 0.106 4.846 4.740 0.001 0.000 0.186 312 N C 1.946 177.471 175.510 0.025 0.000 1.023 312 N CA 1.509 54.573 53.050 0.023 0.000 0.852 312 N CB -0.933 37.572 38.487 0.031 0.000 0.998 312 N HN 0.611 nan 8.380 nan 0.000 0.424 313 A N 0.776 123.624 122.820 0.047 0.000 1.930 313 A HA 0.083 4.403 4.320 0.001 0.000 0.217 313 A C 2.320 179.973 177.584 0.116 0.000 1.175 313 A CA 1.710 53.803 52.037 0.094 0.000 0.627 313 A CB -0.747 18.302 19.000 0.083 0.000 0.815 313 A HN 0.296 nan 8.150 nan 0.000 0.443 314 A N -0.511 122.356 122.820 0.078 0.000 1.933 314 A HA -0.019 4.302 4.320 0.001 0.000 0.218 314 A C 2.222 179.779 177.584 -0.044 0.000 1.175 314 A CA 1.796 53.869 52.037 0.060 0.000 0.628 314 A CB -0.875 18.164 19.000 0.064 0.000 0.814 314 A HN 0.363 nan 8.150 nan 0.000 0.444 315 V N -0.170 119.666 119.914 -0.130 0.000 2.295 315 V HA -0.257 3.863 4.120 0.001 0.000 0.246 315 V C 2.486 178.375 176.094 -0.341 0.000 1.049 315 V CA 2.239 64.288 62.300 -0.418 0.000 1.024 315 V CB -0.677 30.928 31.823 -0.364 0.000 0.648 315 V HN 0.655 nan 8.190 nan 0.000 0.447 316 E N -0.430 119.693 120.200 -0.129 0.000 2.085 316 E HA -0.276 4.074 4.350 0.001 0.000 0.194 316 E C 2.174 178.747 176.600 -0.045 0.000 0.994 316 E CA 1.648 58.015 56.400 -0.055 0.000 0.801 316 E CB -0.153 29.583 29.700 0.059 0.000 0.743 316 E HN 0.434 nan 8.360 nan 0.000 0.453 317 L N 0.730 121.961 121.223 0.012 0.000 2.017 317 L HA -0.153 4.187 4.340 0.001 0.000 0.208 317 L C 2.235 179.080 176.870 -0.042 0.000 1.073 317 L CA 2.206 57.048 54.840 0.003 0.000 0.745 317 L CB -0.648 41.416 42.059 0.007 0.000 0.894 317 L HN 0.063 nan 8.230 nan 0.000 0.432 318 A N -1.098 121.684 122.820 -0.064 0.000 1.883 318 A HA -0.299 4.021 4.320 0.001 0.000 0.217 318 A C 2.214 179.811 177.584 0.022 0.000 1.186 318 A CA 2.067 54.099 52.037 -0.009 0.000 0.624 318 A CB -0.698 18.305 19.000 0.006 0.000 0.822 318 A HN 0.672 nan 8.150 nan 0.000 0.444 319 Q N -0.477 119.287 119.800 -0.059 0.000 2.084 319 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 319 Q C 2.045 178.038 176.000 -0.011 0.000 0.978 319 Q CA 1.757 57.562 55.803 0.005 0.000 0.844 319 Q CB -0.185 28.531 28.738 -0.038 0.000 0.898 319 Q HN 0.652 nan 8.270 nan 0.000 0.426 320 K N 0.179 120.544 120.400 -0.059 0.000 2.211 320 K HA -0.086 4.234 4.320 0.001 0.000 0.203 320 K C 1.614 178.189 176.600 -0.042 0.000 1.050 320 K CA 0.795 57.031 56.287 -0.084 0.000 0.945 320 K CB 0.109 32.505 32.500 -0.172 0.000 0.732 320 K HN 0.200 nan 8.250 nan 0.000 0.451 321 L N 0.303 121.519 121.223 -0.011 0.000 2.607 321 L HA 0.087 4.427 4.340 0.001 0.000 0.228 321 L C 0.155 177.050 176.870 0.042 0.000 1.123 321 L CA -0.149 54.695 54.840 0.006 0.000 0.890 321 L CB -0.102 41.955 42.059 -0.004 0.000 1.103 321 L HN 0.245 nan 8.230 nan 0.000 0.468 322 N N 1.374 120.105 118.700 0.053 0.000 2.740 322 N HA -0.172 4.568 4.740 0.001 0.000 0.248 322 N C -0.341 175.230 175.510 0.103 0.000 1.062 322 N CA 0.462 53.557 53.050 0.075 0.000 0.704 322 N CB -0.832 37.685 38.487 0.050 0.000 0.968 322 N HN 0.280 nan 8.380 nan 0.000 0.547 323 L N 0.833 122.140 121.223 0.141 0.000 2.375 323 L HA 0.182 4.522 4.340 0.001 0.000 0.271 323 L C 1.059 178.051 176.870 0.203 0.000 1.107 323 L CA -0.502 54.442 54.840 0.174 0.000 0.806 323 L CB 0.974 43.147 42.059 0.190 0.000 1.146 323 L HN -0.039 nan 8.230 nan 0.000 0.447 324 E N 0.760 121.036 120.200 0.127 0.000 2.404 324 E HA 0.230 4.580 4.350 0.001 0.000 0.261 324 E C -1.071 175.628 176.600 0.165 0.000 1.074 324 E CA 0.033 56.465 56.400 0.054 0.000 0.917 324 E CB 1.027 30.720 29.700 -0.012 0.000 0.965 324 E HN 0.477 nan 8.360 nan 0.000 0.433 325 Y N -2.053 118.276 120.300 0.048 0.000 2.641 325 Y HA 0.723 5.273 4.550 0.001 0.000 0.333 325 Y C -0.834 175.101 175.900 0.060 0.000 1.174 325 Y CA -1.396 56.750 58.100 0.076 0.000 1.057 325 Y CB 1.644 40.162 38.460 0.097 0.000 1.322 325 Y HN 0.506 nan 8.280 nan 0.000 0.457 326 K N 2.609 123.176 120.400 0.278 0.000 2.561 326 K HA 0.623 4.943 4.320 0.001 0.000 0.254 326 K C -2.316 174.479 176.600 0.324 0.000 0.942 326 K CA -0.650 55.763 56.287 0.212 0.000 0.818 326 K CB 1.667 34.233 32.500 0.110 0.000 1.306 326 K HN 0.742 nan 8.250 nan 0.000 0.435 327 I N 5.711 126.455 120.570 0.290 0.000 2.389 327 I HA 0.318 4.488 4.170 0.001 0.000 0.288 327 I C -0.342 175.910 176.117 0.226 0.000 0.999 327 I CA -0.706 60.754 61.300 0.266 0.000 1.129 327 I CB 1.236 39.367 38.000 0.218 0.000 1.288 327 I HN 0.573 nan 8.210 nan 0.000 0.444 328 L N 5.551 126.926 121.223 0.254 0.000 2.292 328 L HA 0.629 4.969 4.340 0.001 0.000 0.284 328 L C 0.907 177.886 176.870 0.181 0.000 1.065 328 L CA -0.353 54.597 54.840 0.183 0.000 0.806 328 L CB 1.388 43.516 42.059 0.115 0.000 1.175 328 L HN 0.670 nan 8.230 nan 0.000 0.431 329 G N 1.560 110.434 108.800 0.124 0.000 2.613 329 G HA2 0.424 4.385 3.960 0.001 0.000 0.303 329 G HA3 0.424 4.385 3.960 0.001 0.000 0.303 329 G C 0.843 175.781 174.900 0.064 0.000 1.312 329 G CA -0.579 44.580 45.100 0.098 0.000 1.036 329 G HN 0.343 nan 8.290 nan 0.000 0.513 330 V N 0.410 120.345 119.914 0.035 0.000 2.343 330 V HA -0.127 3.993 4.120 0.001 0.000 0.247 330 V C 2.892 178.988 176.094 0.004 0.000 1.051 330 V CA 1.623 63.922 62.300 -0.003 0.000 1.036 330 V CB -0.361 31.451 31.823 -0.018 0.000 0.654 330 V HN 0.492 nan 8.190 nan 0.000 0.451 331 K N 0.070 120.479 120.400 0.016 0.000 2.057 331 K HA -0.183 4.138 4.320 0.001 0.000 0.207 331 K C 2.123 178.735 176.600 0.020 0.000 1.049 331 K CA 1.441 57.737 56.287 0.015 0.000 0.931 331 K CB -0.315 32.197 32.500 0.020 0.000 0.714 331 K HN 0.508 nan 8.250 nan 0.000 0.440 332 E N 0.744 120.962 120.200 0.030 0.000 2.110 332 E HA -0.099 4.251 4.350 0.001 0.000 0.193 332 E C 2.030 178.645 176.600 0.024 0.000 0.988 332 E CA 0.853 57.273 56.400 0.033 0.000 0.804 332 E CB -0.116 29.613 29.700 0.048 0.000 0.745 332 E HN 0.172 nan 8.360 nan 0.000 0.458 333 L N 0.432 121.669 121.223 0.023 0.000 2.156 333 L HA -0.131 4.209 4.340 0.001 0.000 0.208 333 L C 2.126 179.002 176.870 0.010 0.000 1.095 333 L CA 1.003 55.855 54.840 0.020 0.000 0.770 333 L CB -0.283 41.791 42.059 0.025 0.000 0.914 333 L HN 0.129 nan 8.230 nan 0.000 0.439 334 E N 0.254 120.455 120.200 0.001 0.000 2.072 334 E HA -0.225 4.126 4.350 0.001 0.000 0.191 334 E C 2.048 178.654 176.600 0.011 0.000 0.985 334 E CA 1.113 57.514 56.400 0.002 0.000 0.801 334 E CB 0.007 29.706 29.700 -0.003 0.000 0.750 334 E HN 0.492 nan 8.360 nan 0.000 0.452 335 E N 0.479 120.687 120.200 0.013 0.000 2.150 335 E HA -0.120 4.231 4.350 0.001 0.000 0.193 335 E C 1.783 178.393 176.600 0.017 0.000 0.985 335 E CA 0.610 57.019 56.400 0.015 0.000 0.814 335 E CB 0.070 29.779 29.700 0.016 0.000 0.752 335 E HN 0.217 nan 8.360 nan 0.000 0.466 336 L N 0.257 121.493 121.223 0.021 0.000 2.610 336 L HA 0.030 4.370 4.340 0.001 0.000 0.232 336 L C 0.218 177.108 176.870 0.033 0.000 1.149 336 L CA 0.238 55.094 54.840 0.027 0.000 0.872 336 L CB -0.154 41.925 42.059 0.035 0.000 0.992 336 L HN 0.018 nan 8.230 nan 0.000 0.447 337 K N -0.147 120.270 120.400 0.030 0.000 3.071 337 K HA -0.190 4.130 4.320 0.001 0.000 0.265 337 K C 0.068 176.698 176.600 0.051 0.000 1.060 337 K CA 0.596 56.904 56.287 0.034 0.000 0.767 337 K CB -1.329 31.191 32.500 0.033 0.000 1.241 337 K HN 0.280 nan 8.250 nan 0.000 0.486 338 M N 0.430 120.066 119.600 0.059 0.000 3.596 338 M HA 0.044 4.524 4.480 0.001 0.000 0.219 338 M C 1.732 178.079 176.300 0.077 0.000 1.471 338 M CA 0.431 55.790 55.300 0.099 0.000 1.644 338 M CB 0.211 32.912 32.600 0.168 0.000 1.083 338 M HN 0.450 nan 8.290 nan 0.000 0.579 339 G N 0.552 109.387 108.800 0.058 0.000 2.432 339 G HA2 -0.153 3.808 3.960 0.001 0.000 0.219 339 G HA3 -0.153 3.808 3.960 0.001 0.000 0.219 339 G C 1.495 176.417 174.900 0.036 0.000 1.135 339 G CA 1.055 46.178 45.100 0.037 0.000 0.767 339 G HN 0.657 nan 8.290 nan 0.000 0.550 340 A N 0.164 123.022 122.820 0.063 0.000 1.873 340 A HA 0.009 4.330 4.320 0.001 0.000 0.215 340 A C 2.220 179.835 177.584 0.051 0.000 1.186 340 A CA 1.672 53.740 52.037 0.052 0.000 0.616 340 A CB -0.734 18.289 19.000 0.038 0.000 0.823 340 A HN 0.421 nan 8.150 nan 0.000 0.442 341 Y N 0.752 121.022 120.300 -0.051 0.000 2.145 341 Y HA -0.153 4.397 4.550 0.001 0.000 0.286 341 Y C 1.895 177.754 175.900 -0.067 0.000 1.145 341 Y CA 1.649 59.721 58.100 -0.047 0.000 1.148 341 Y CB -0.690 37.782 38.460 0.019 0.000 0.981 341 Y HN 0.202 nan 8.280 nan 0.000 0.507 342 L N -0.732 120.358 121.223 -0.223 0.000 2.046 342 L HA -0.229 4.111 4.340 0.001 0.000 0.208 342 L C 2.528 179.260 176.870 -0.231 0.000 1.077 342 L CA 1.513 56.161 54.840 -0.321 0.000 0.747 342 L CB -0.783 41.153 42.059 -0.204 0.000 0.896 342 L HN 0.107 nan 8.230 nan 0.000 0.432 343 S N -0.418 115.171 115.700 -0.185 0.000 2.387 343 S HA -0.186 4.285 4.470 0.001 0.000 0.230 343 S C 2.029 176.276 174.600 -0.588 0.000 1.035 343 S CA 1.431 59.477 58.200 -0.256 0.000 1.014 343 S CB -0.375 62.724 63.200 -0.168 0.000 0.836 343 S HN 0.193 nan 8.310 nan 0.000 0.466 344 V N 1.228 120.780 119.914 -0.603 0.000 2.343 344 V HA -0.122 3.998 4.120 0.001 0.000 0.247 344 V C 2.423 178.343 176.094 -0.291 0.000 1.051 344 V CA 1.946 63.862 62.300 -0.640 0.000 1.036 344 V CB -1.181 30.468 31.823 -0.290 0.000 0.654 344 V HN 0.606 nan 8.190 nan 0.000 0.451 345 G N -1.221 107.459 108.800 -0.201 0.000 2.985 345 G HA2 -0.056 3.904 3.960 0.001 0.000 0.209 345 G HA3 -0.056 3.904 3.960 0.001 0.000 0.209 345 G C 1.447 176.306 174.900 -0.069 0.000 1.165 345 G CA -0.049 44.994 45.100 -0.096 0.000 0.776 345 G HN 0.432 nan 8.290 nan 0.000 0.541 346 K N 0.255 120.602 120.400 -0.088 0.000 2.074 346 K HA -0.104 4.216 4.320 0.001 0.000 0.209 346 K C 2.439 179.052 176.600 0.021 0.000 1.048 346 K CA 1.227 57.497 56.287 -0.028 0.000 0.926 346 K CB -0.160 32.343 32.500 0.005 0.000 0.713 346 K HN 0.265 nan 8.250 nan 0.000 0.444 347 G N 0.279 109.114 108.800 0.058 0.000 2.920 347 G HA2 -0.073 3.887 3.960 0.001 0.000 0.208 347 G HA3 -0.073 3.887 3.960 0.001 0.000 0.208 347 G C 0.199 175.124 174.900 0.042 0.000 1.159 347 G CA -0.156 44.989 45.100 0.075 0.000 0.784 347 G HN 0.164 nan 8.290 nan 0.000 0.535 348 S N 0.115 115.834 115.700 0.032 0.000 2.585 348 S HA 0.350 4.820 4.470 0.001 0.000 0.277 348 S C 1.708 176.272 174.600 -0.060 0.000 1.241 348 S CA -0.625 57.593 58.200 0.029 0.000 1.041 348 S CB 0.825 64.093 63.200 0.114 0.000 0.987 348 S HN 0.301 nan 8.310 nan 0.000 0.512 349 M N 3.065 122.546 119.600 -0.198 0.000 2.630 349 M HA 0.146 4.626 4.480 0.001 0.000 0.254 349 M C -0.941 175.115 176.300 -0.408 0.000 1.092 349 M CA 0.768 55.864 55.300 -0.339 0.000 1.087 349 M CB -0.526 31.785 32.600 -0.482 0.000 1.453 349 M HN 0.541 nan 8.290 nan 0.000 0.509 350 Y N 1.825 122.129 120.300 0.007 0.000 2.335 350 Y HA 0.523 5.073 4.550 0.001 0.000 0.339 350 Y C -2.217 173.687 175.900 0.006 0.000 0.987 350 Y CA -2.791 55.315 58.100 0.010 0.000 1.140 350 Y CB 0.298 38.770 38.460 0.021 0.000 1.173 350 Y HN 0.003 nan 8.280 nan 0.000 0.486 351 P HA -0.058 nan 4.420 nan 0.000 0.265 351 P C -0.682 176.666 177.300 0.080 0.000 1.187 351 P CA 0.039 63.182 63.100 0.072 0.000 0.766 351 P CB 0.505 32.244 31.700 0.065 0.000 0.820 352 N N 2.836 121.540 118.700 0.007 0.000 2.356 352 N HA 0.016 4.757 4.740 0.001 0.000 0.252 352 N C -0.059 175.520 175.510 0.115 0.000 1.241 352 N CA 0.786 53.835 53.050 -0.001 0.000 0.861 352 N CB 0.046 38.347 38.487 -0.311 0.000 1.075 352 N HN 0.182 nan 8.380 nan 0.000 0.461 353 K N 2.024 122.552 120.400 0.214 0.000 2.471 353 K HA 0.308 4.628 4.320 0.001 0.000 0.252 353 K C -1.222 175.564 176.600 0.311 0.000 0.938 353 K CA -0.537 55.887 56.287 0.229 0.000 0.796 353 K CB 1.568 34.157 32.500 0.149 0.000 1.161 353 K HN 0.405 nan 8.250 nan 0.000 0.425 354 F N 3.997 124.049 119.950 0.170 0.000 2.385 354 F HA 0.436 4.964 4.527 0.001 0.000 0.360 354 F C -0.035 175.796 175.800 0.052 0.000 1.122 354 F CA -0.961 57.081 58.000 0.069 0.000 1.090 354 F CB 0.521 39.532 39.000 0.018 0.000 1.150 354 F HN 0.399 nan 8.300 nan 0.000 0.472 355 I N 6.178 126.703 120.570 -0.076 0.000 2.371 355 I HA 0.155 4.326 4.170 0.001 0.000 0.290 355 I C -0.432 175.810 176.117 0.208 0.000 1.028 355 I CA -0.091 61.261 61.300 0.088 0.000 1.345 355 I CB 0.704 38.713 38.000 0.016 0.000 1.407 355 I HN 0.599 nan 8.210 nan 0.000 0.501 356 H N 6.821 126.063 119.070 0.287 0.000 2.991 356 H HA 0.436 4.992 4.556 0.001 0.000 0.304 356 H C -1.443 174.113 175.328 0.381 0.000 1.040 356 H CA -0.952 55.320 56.048 0.374 0.000 1.410 356 H CB 0.842 30.879 29.762 0.458 0.000 1.529 356 H HN 0.351 nan 8.280 nan 0.000 0.509 357 L N 3.333 124.936 121.223 0.633 0.000 2.352 357 L HA 0.509 4.850 4.340 0.001 0.000 0.269 357 L C 0.178 177.432 176.870 0.640 0.000 1.034 357 L CA -0.452 54.704 54.840 0.528 0.000 0.806 357 L CB 1.950 44.263 42.059 0.423 0.000 1.244 357 L HN 0.631 nan 8.230 nan 0.000 0.447 358 T N 0.794 115.615 114.554 0.445 0.000 2.971 358 T HA 0.359 4.709 4.350 0.001 0.000 0.304 358 T C -1.513 173.372 174.700 0.309 0.000 1.038 358 T CA -0.387 61.896 62.100 0.305 0.000 1.007 358 T CB 1.121 70.057 68.868 0.113 0.000 1.055 358 T HN 0.327 nan 8.240 nan 0.000 0.451 359 Y N 2.744 123.188 120.300 0.240 0.000 2.341 359 Y HA 0.667 5.217 4.550 0.001 0.000 0.337 359 Y C -0.284 175.636 175.900 0.033 0.000 1.014 359 Y CA -0.775 57.432 58.100 0.179 0.000 1.111 359 Y CB 1.010 39.656 38.460 0.310 0.000 1.194 359 Y HN 0.482 nan 8.280 nan 0.000 0.462 360 K N 4.692 124.628 120.400 -0.774 0.000 2.545 360 K HA 0.414 4.735 4.320 0.001 0.000 0.252 360 K C -0.945 175.242 176.600 -0.689 0.000 0.948 360 K CA -0.537 55.426 56.287 -0.541 0.000 0.827 360 K CB 1.196 33.540 32.500 -0.260 0.000 1.128 360 K HN 0.817 nan 8.250 nan 0.000 0.429 361 S N 2.755 118.212 115.700 -0.405 0.000 2.563 361 S HA 0.032 4.503 4.470 0.001 0.000 0.284 361 S C -0.144 174.381 174.600 -0.126 0.000 1.331 361 S CA -0.075 58.028 58.200 -0.162 0.000 1.047 361 S CB 0.482 63.704 63.200 0.037 0.000 0.859 361 S HN 0.458 nan 8.310 nan 0.000 0.514 362 K N 1.502 121.859 120.400 -0.072 0.000 2.382 362 K HA 0.433 4.754 4.320 0.001 0.000 0.275 362 K C 1.117 177.702 176.600 -0.024 0.000 1.009 362 K CA 0.671 56.930 56.287 -0.046 0.000 0.970 362 K CB 0.266 32.752 32.500 -0.024 0.000 0.934 362 K HN 0.867 nan 8.250 nan 0.000 0.479 363 G N 0.946 109.732 108.800 -0.024 0.000 2.503 363 G HA2 -0.273 3.687 3.960 0.001 0.000 0.235 363 G HA3 -0.273 3.687 3.960 0.001 0.000 0.235 363 G C -0.562 174.329 174.900 -0.015 0.000 1.179 363 G CA -0.281 44.810 45.100 -0.015 0.000 0.944 363 G HN 0.823 nan 8.290 nan 0.000 0.580 364 D N -0.256 120.139 120.400 -0.008 0.000 2.295 364 D HA 0.619 5.260 4.640 0.001 0.000 0.248 364 D C 0.227 176.524 176.300 -0.006 0.000 1.154 364 D CA 0.369 54.364 54.000 -0.008 0.000 0.857 364 D CB 1.565 42.361 40.800 -0.005 0.000 1.117 364 D HN 1.121 nan 8.370 nan 0.000 0.468 365 V N 3.198 123.107 119.914 -0.009 0.000 2.368 365 V HA 0.223 4.344 4.120 0.001 0.000 0.266 365 V C 1.193 177.284 176.094 -0.005 0.000 1.045 365 V CA -0.179 62.118 62.300 -0.006 0.000 0.899 365 V CB 0.973 32.789 31.823 -0.011 0.000 1.006 365 V HN 0.727 nan 8.190 nan 0.000 0.470 366 K N 2.957 123.356 120.400 -0.002 0.000 2.334 366 K HA 0.261 4.582 4.320 0.001 0.000 0.195 366 K C 0.282 176.872 176.600 -0.018 0.000 1.045 366 K CA 0.324 56.606 56.287 -0.009 0.000 1.004 366 K CB 0.441 32.938 32.500 -0.005 0.000 0.837 366 K HN 0.343 nan 8.250 nan 0.000 0.510 367 K N 1.328 121.721 120.400 -0.012 0.000 2.482 367 K HA 0.329 4.649 4.320 0.001 0.000 0.251 367 K C -1.231 175.366 176.600 -0.004 0.000 0.936 367 K CA -0.434 55.839 56.287 -0.024 0.000 0.791 367 K CB 2.358 34.861 32.500 0.004 0.000 1.213 367 K HN -0.121 nan 8.250 nan 0.000 0.428 368 K N 3.087 123.478 120.400 -0.015 0.000 2.274 368 K HA 0.585 4.905 4.320 0.001 0.000 0.262 368 K C -0.345 176.300 176.600 0.074 0.000 0.961 368 K CA -0.514 55.797 56.287 0.040 0.000 0.833 368 K CB 1.479 34.016 32.500 0.062 0.000 1.102 368 K HN 0.431 nan 8.250 nan 0.000 0.436 369 I N 1.792 122.435 120.570 0.122 0.000 2.582 369 I HA 0.419 4.589 4.170 0.001 0.000 0.292 369 I C -0.698 175.518 176.117 0.165 0.000 1.066 369 I CA -1.036 60.375 61.300 0.184 0.000 1.053 369 I CB 2.174 40.295 38.000 0.201 0.000 1.241 369 I HN 0.594 nan 8.210 nan 0.000 0.421 370 A N 7.432 130.367 122.820 0.192 0.000 2.271 370 A HA 0.816 5.136 4.320 0.001 0.000 0.317 370 A C -0.830 176.832 177.584 0.129 0.000 1.245 370 A CA -0.440 51.691 52.037 0.156 0.000 0.857 370 A CB 0.602 19.697 19.000 0.157 0.000 1.175 370 A HN 0.677 nan 8.150 nan 0.000 0.512 371 L N 3.205 124.461 121.223 0.056 0.000 2.287 371 L HA 0.556 4.896 4.340 0.001 0.000 0.287 371 L C -0.818 176.115 176.870 0.105 0.000 1.022 371 L CA -0.811 54.080 54.840 0.085 0.000 0.814 371 L CB 1.680 43.786 42.059 0.078 0.000 1.217 371 L HN 0.396 nan 8.230 nan 0.000 0.420 372 V N 2.139 122.117 119.914 0.107 0.000 2.409 372 V HA 0.657 4.777 4.120 0.001 0.000 0.291 372 V C 0.422 176.549 176.094 0.055 0.000 1.020 372 V CA -0.486 61.856 62.300 0.071 0.000 0.848 372 V CB 1.603 33.488 31.823 0.103 0.000 0.990 372 V HN 0.860 nan 8.190 nan 0.000 0.430 373 G N 2.938 111.740 108.800 0.003 0.000 2.415 373 G HA2 0.504 4.464 3.960 0.001 0.000 0.327 373 G HA3 0.504 4.464 3.960 0.001 0.000 0.327 373 G C -0.665 174.203 174.900 -0.053 0.000 1.182 373 G CA -0.733 44.367 45.100 0.001 0.000 0.924 373 G HN 0.656 nan 8.290 nan 0.000 0.470 374 K N 1.085 121.465 120.400 -0.034 0.000 2.416 374 K HA 0.348 4.668 4.320 0.001 0.000 0.283 374 K C 0.443 176.993 176.600 -0.083 0.000 1.037 374 K CA -0.037 56.212 56.287 -0.063 0.000 0.995 374 K CB 0.477 32.955 32.500 -0.036 0.000 0.938 374 K HN 0.476 nan 8.250 nan 0.000 0.475 375 G N 6.361 115.103 108.800 -0.096 0.000 4.876 375 G HA2 0.252 4.212 3.960 0.001 0.000 0.304 375 G HA3 0.252 4.212 3.960 0.001 0.000 0.304 375 G C -0.434 174.444 174.900 -0.037 0.000 1.396 375 G CA -0.492 44.563 45.100 -0.075 0.000 0.978 375 G HN 0.504 nan 8.290 nan 0.000 0.565 376 I N 2.927 123.477 120.570 -0.033 0.000 2.308 376 I HA 0.112 4.282 4.170 0.001 0.000 0.293 376 I C 1.784 177.908 176.117 0.013 0.000 1.078 376 I CA -0.087 61.211 61.300 -0.002 0.000 1.292 376 I CB 0.434 38.420 38.000 -0.023 0.000 1.423 376 I HN 0.336 nan 8.210 nan 0.000 0.493 377 T N 2.853 117.436 114.554 0.048 0.000 3.023 377 T HA -0.001 4.349 4.350 0.001 0.000 0.266 377 T C 0.239 175.046 174.700 0.177 0.000 1.093 377 T CA 0.598 62.740 62.100 0.069 0.000 1.129 377 T CB 0.015 68.897 68.868 0.024 0.000 0.899 377 T HN 0.320 nan 8.240 nan 0.000 0.491 378 F N 0.990 120.952 119.950 0.020 0.000 2.604 378 F HA 0.511 5.039 4.527 0.001 0.000 0.316 378 F C -2.276 173.550 175.800 0.043 0.000 1.136 378 F CA -1.748 56.270 58.000 0.030 0.000 0.989 378 F CB 2.075 41.091 39.000 0.026 0.000 1.258 378 F HN -0.136 nan 8.300 nan 0.000 0.451 379 D N 2.633 122.497 120.400 -0.892 0.000 2.464 379 D HA 0.224 4.864 4.640 0.001 0.000 0.243 379 D C 0.609 176.423 176.300 -0.810 0.000 1.104 379 D CA 0.124 53.772 54.000 -0.587 0.000 0.883 379 D CB 1.354 41.981 40.800 -0.290 0.000 1.050 379 D HN 0.471 nan 8.370 nan 0.000 0.524 380 S N 2.095 117.510 115.700 -0.476 0.000 2.481 380 S HA 0.162 4.632 4.470 0.001 0.000 0.231 380 S C 1.745 176.291 174.600 -0.090 0.000 0.996 380 S CA 0.707 58.825 58.200 -0.137 0.000 0.942 380 S CB 0.024 63.321 63.200 0.162 0.000 0.768 380 S HN 0.763 nan 8.310 nan 0.000 0.520 381 G N 0.589 109.337 108.800 -0.087 0.000 2.254 381 G HA2 0.147 4.108 3.960 0.001 0.000 0.225 381 G HA3 0.147 4.108 3.960 0.001 0.000 0.225 381 G C 1.201 176.108 174.900 0.013 0.000 1.003 381 G CA 0.297 45.378 45.100 -0.032 0.000 0.622 381 G HN 1.808 nan 8.290 nan 0.000 0.507 382 G N -0.665 108.145 108.800 0.018 0.000 2.601 382 G HA2 -0.176 3.785 3.960 0.001 0.000 0.252 382 G HA3 -0.176 3.785 3.960 0.001 0.000 0.252 382 G C 0.530 175.394 174.900 -0.060 0.000 1.294 382 G CA 0.627 45.743 45.100 0.026 0.000 0.912 382 G HN 1.092 nan 8.290 nan 0.000 0.574 383 Y N 1.091 121.378 120.300 -0.023 0.000 2.315 383 Y HA -0.073 4.477 4.550 0.001 0.000 0.288 383 Y C 2.320 178.192 175.900 -0.047 0.000 1.154 383 Y CA 1.972 60.048 58.100 -0.040 0.000 1.229 383 Y CB -0.222 38.197 38.460 -0.068 0.000 0.980 383 Y HN 0.415 nan 8.280 nan 0.000 0.540 384 N N 1.158 119.893 118.700 0.058 0.000 3.178 384 N HA 0.130 4.871 4.740 0.001 0.000 0.300 384 N C -0.797 174.711 175.510 -0.004 0.000 1.242 384 N CA -0.222 52.835 53.050 0.013 0.000 1.192 384 N CB -0.147 38.331 38.487 -0.015 0.000 1.463 384 N HN 0.077 nan 8.380 nan 0.000 0.539 385 L N 0.779 121.997 121.223 -0.010 0.000 2.483 385 L HA 0.037 4.377 4.340 0.001 0.000 0.276 385 L C 0.258 177.119 176.870 -0.016 0.000 1.213 385 L CA 0.127 54.953 54.840 -0.023 0.000 0.843 385 L CB 0.460 42.500 42.059 -0.032 0.000 1.107 385 L HN 0.264 nan 8.230 nan 0.000 0.487 386 K N 5.045 125.433 120.400 -0.020 0.000 2.081 386 K HA 0.190 4.510 4.320 0.001 0.000 0.230 386 K C 0.470 177.065 176.600 -0.008 0.000 1.199 386 K CA 0.556 56.831 56.287 -0.019 0.000 1.130 386 K CB -0.081 32.397 32.500 -0.036 0.000 1.386 386 K HN 0.755 nan 8.250 nan 0.000 0.280 387 A N 1.400 124.216 122.820 -0.008 0.000 2.324 387 A HA 0.280 4.600 4.320 0.001 0.000 0.220 387 A C 0.801 178.381 177.584 -0.007 0.000 1.209 387 A CA -0.107 51.927 52.037 -0.005 0.000 0.918 387 A CB 0.496 19.493 19.000 -0.005 0.000 0.959 387 A HN 0.546 nan 8.150 nan 0.000 0.507 388 A N 1.227 124.041 122.820 -0.009 0.000 2.371 388 A HA 0.573 4.893 4.320 0.001 0.000 0.257 388 A C -2.531 175.048 177.584 -0.008 0.000 1.089 388 A CA -1.212 50.819 52.037 -0.010 0.000 0.794 388 A CB -0.454 18.538 19.000 -0.012 0.000 1.029 388 A HN 0.178 nan 8.150 nan 0.000 0.488 389 P HA 0.290 nan 4.420 nan 0.000 0.264 389 P C 0.934 178.232 177.300 -0.004 0.000 1.193 389 P CA 1.687 64.782 63.100 -0.007 0.000 0.763 389 P CB 0.646 32.343 31.700 -0.006 0.000 0.810 390 G N 2.522 111.318 108.800 -0.007 0.000 2.175 390 G HA2 -0.304 3.656 3.960 0.001 0.000 0.244 390 G HA3 -0.304 3.656 3.960 0.001 0.000 0.244 390 G C 1.124 176.022 174.900 -0.003 0.000 0.982 390 G CA 0.462 45.560 45.100 -0.003 0.000 0.641 390 G HN 0.592 nan 8.290 nan 0.000 0.527 391 S N 0.021 115.716 115.700 -0.008 0.000 2.489 391 S HA 0.250 4.721 4.470 0.001 0.000 0.228 391 S C 1.510 176.093 174.600 -0.028 0.000 0.995 391 S CA 1.098 59.292 58.200 -0.011 0.000 0.934 391 S CB -0.421 62.772 63.200 -0.013 0.000 0.771 391 S HN 1.255 nan 8.310 nan 0.000 0.522 392 M N 0.308 119.886 119.600 -0.038 0.000 2.212 392 M HA -0.174 4.306 4.480 0.001 0.000 0.193 392 M C 0.687 176.935 176.300 -0.087 0.000 0.493 392 M CA 0.308 55.566 55.300 -0.070 0.000 0.427 392 M CB -1.641 30.901 32.600 -0.097 0.000 1.120 392 M HN 0.529 nan 8.290 nan 0.000 0.929 393 I N 1.470 122.014 120.570 -0.042 0.000 2.454 393 I HA -0.249 3.921 4.170 0.001 0.000 0.254 393 I C 2.046 178.189 176.117 0.043 0.000 1.156 393 I CA 2.258 63.550 61.300 -0.014 0.000 1.433 393 I CB -0.023 38.007 38.000 0.050 0.000 1.082 393 I HN 0.577 nan 8.210 nan 0.000 0.432 394 D N 0.565 120.960 120.400 -0.007 0.000 2.371 394 D HA -0.194 4.446 4.640 0.001 0.000 0.221 394 D C 1.919 178.139 176.300 -0.134 0.000 0.986 394 D CA 0.537 54.524 54.000 -0.022 0.000 0.899 394 D CB -0.157 40.608 40.800 -0.059 0.000 0.902 394 D HN 0.400 nan 8.370 nan 0.000 0.530 395 L N -0.283 120.790 121.223 -0.250 0.000 2.529 395 L HA 0.151 4.491 4.340 0.001 0.000 0.223 395 L C 1.730 178.369 176.870 -0.385 0.000 1.113 395 L CA 0.410 54.916 54.840 -0.556 0.000 0.861 395 L CB -0.101 41.501 42.059 -0.761 0.000 1.012 395 L HN -0.199 nan 8.230 nan 0.000 0.461 396 M N 0.048 119.578 119.600 -0.116 0.000 2.659 396 M HA -0.039 4.441 4.480 0.001 0.000 0.243 396 M C 1.708 178.065 176.300 0.096 0.000 1.111 396 M CA 0.588 55.846 55.300 -0.070 0.000 1.070 396 M CB -0.848 31.478 32.600 -0.456 0.000 1.525 396 M HN 0.409 nan 8.290 nan 0.000 0.517 397 K N 0.600 121.140 120.400 0.233 0.000 2.360 397 K HA -0.156 4.164 4.320 0.001 0.000 0.201 397 K C 1.464 178.189 176.600 0.210 0.000 1.046 397 K CA 1.211 57.639 56.287 0.236 0.000 0.945 397 K CB -0.915 31.662 32.500 0.128 0.000 0.750 397 K HN 0.506 nan 8.250 nan 0.000 0.464 398 F N 0.198 120.114 119.950 -0.057 0.000 2.773 398 F HA 0.234 4.762 4.527 0.001 0.000 0.304 398 F C 0.712 176.508 175.800 -0.006 0.000 1.129 398 F CA -0.619 57.374 58.000 -0.012 0.000 1.378 398 F CB 0.177 39.162 39.000 -0.025 0.000 1.095 398 F HN -0.149 nan 8.300 nan 0.000 0.565 399 D N 1.813 122.227 120.400 0.023 0.000 2.349 399 D HA -0.010 4.630 4.640 0.001 0.000 0.224 399 D C 1.460 177.663 176.300 -0.160 0.000 1.029 399 D CA 0.631 54.511 54.000 -0.200 0.000 0.879 399 D CB 0.079 40.840 40.800 -0.065 0.000 0.906 399 D HN 0.474 nan 8.370 nan 0.000 0.528 400 M N -2.105 117.437 119.600 -0.096 0.000 2.475 400 M HA 0.380 4.861 4.480 0.001 0.000 0.261 400 M C 1.406 177.653 176.300 -0.089 0.000 1.177 400 M CA -0.030 55.223 55.300 -0.079 0.000 0.979 400 M CB 0.186 32.764 32.600 -0.036 0.000 1.482 400 M HN -0.325 nan 8.290 nan 0.000 0.484 401 S N 1.455 117.067 115.700 -0.147 0.000 2.400 401 S HA -0.045 4.426 4.470 0.001 0.000 0.232 401 S C 1.976 176.539 174.600 -0.061 0.000 1.025 401 S CA 1.626 59.762 58.200 -0.106 0.000 0.993 401 S CB -0.752 62.330 63.200 -0.197 0.000 0.808 401 S HN 0.800 nan 8.310 nan 0.000 0.478 402 G N -0.002 108.753 108.800 -0.075 0.000 2.404 402 G HA2 -0.244 3.716 3.960 0.001 0.000 0.215 402 G HA3 -0.244 3.716 3.960 0.001 0.000 0.215 402 G C 1.749 176.647 174.900 -0.003 0.000 1.174 402 G CA 1.000 46.088 45.100 -0.021 0.000 0.780 402 G HN 0.608 nan 8.290 nan 0.000 0.537 403 C N 1.054 120.337 119.300 -0.028 0.000 2.429 403 C HA 0.226 4.686 4.460 0.001 0.000 0.277 403 C C 3.416 178.410 174.990 0.007 0.000 1.262 403 C CA 1.550 60.557 59.018 -0.018 0.000 1.733 403 C CB -1.092 26.619 27.740 -0.047 0.000 2.010 403 C HN 0.536 nan 8.230 nan 0.000 0.483 404 A N 0.710 123.521 122.820 -0.016 0.000 1.883 404 A HA 0.029 4.349 4.320 0.001 0.000 0.217 404 A C 2.541 180.136 177.584 0.018 0.000 1.186 404 A CA 2.517 54.540 52.037 -0.022 0.000 0.624 404 A CB -1.312 17.648 19.000 -0.066 0.000 0.822 404 A HN 0.936 nan 8.150 nan 0.000 0.444 405 A N -0.736 122.098 122.820 0.023 0.000 1.908 405 A HA -0.040 4.281 4.320 0.001 0.000 0.218 405 A C 2.242 179.868 177.584 0.069 0.000 1.181 405 A CA 1.921 53.979 52.037 0.036 0.000 0.627 405 A CB -0.946 18.085 19.000 0.052 0.000 0.818 405 A HN 0.433 nan 8.150 nan 0.000 0.445 406 V N -0.445 119.528 119.914 0.098 0.000 2.427 406 V HA -0.177 3.943 4.120 0.001 0.000 0.248 406 V C 2.452 178.640 176.094 0.157 0.000 1.051 406 V CA 1.603 64.012 62.300 0.182 0.000 1.048 406 V CB -0.592 31.344 31.823 0.188 0.000 0.666 406 V HN 0.462 nan 8.190 nan 0.000 0.456 407 L N 0.813 122.099 121.223 0.104 0.000 2.109 407 L HA 0.062 4.402 4.340 0.001 0.000 0.207 407 L C 2.549 179.461 176.870 0.070 0.000 1.086 407 L CA 2.155 57.044 54.840 0.082 0.000 0.760 407 L CB -1.786 40.393 42.059 0.200 0.000 0.910 407 L HN 0.344 nan 8.230 nan 0.000 0.437 408 G N -1.692 107.187 108.800 0.131 0.000 2.418 408 G HA2 -0.303 3.657 3.960 0.001 0.000 0.217 408 G HA3 -0.303 3.657 3.960 0.001 0.000 0.217 408 G C 1.927 176.851 174.900 0.041 0.000 1.158 408 G CA 0.937 46.100 45.100 0.105 0.000 0.771 408 G HN 0.485 nan 8.290 nan 0.000 0.545 409 C N 0.988 120.303 119.300 0.025 0.000 2.413 409 C HA 0.112 4.572 4.460 0.001 0.000 0.276 409 C C 3.444 178.384 174.990 -0.083 0.000 1.248 409 C CA 1.676 60.718 59.018 0.040 0.000 1.742 409 C CB -1.081 26.777 27.740 0.196 0.000 2.017 409 C HN 0.549 nan 8.230 nan 0.000 0.481 410 A N -1.013 121.551 122.820 -0.428 0.000 1.908 410 A HA -0.193 4.127 4.320 0.001 0.000 0.218 410 A C 2.036 179.349 177.584 -0.450 0.000 1.181 410 A CA 1.948 53.352 52.037 -1.054 0.000 0.627 410 A CB -1.292 16.933 19.000 -1.292 0.000 0.818 410 A HN 0.808 nan 8.150 nan 0.000 0.445 411 Y N 0.490 120.596 120.300 -0.325 0.000 2.069 411 Y HA -0.365 4.185 4.550 0.001 0.000 0.278 411 Y C 2.600 178.448 175.900 -0.086 0.000 1.175 411 Y CA 1.840 59.824 58.100 -0.193 0.000 1.134 411 Y CB -0.948 37.399 38.460 -0.189 0.000 0.965 411 Y HN 0.394 nan 8.280 nan 0.000 0.498 412 C N -1.222 117.919 119.300 -0.265 0.000 2.446 412 C HA -0.110 4.350 4.460 0.001 0.000 0.277 412 C C 2.841 177.690 174.990 -0.235 0.000 1.275 412 C CA 0.905 59.785 59.018 -0.229 0.000 1.727 412 C CB -1.241 26.484 27.740 -0.026 0.000 2.010 412 C HN 0.504 nan 8.230 nan 0.000 0.486 413 V N 1.480 121.268 119.914 -0.209 0.000 2.358 413 V HA -0.092 4.029 4.120 0.001 0.000 0.246 413 V C 2.663 178.496 176.094 -0.435 0.000 1.047 413 V CA 2.427 64.565 62.300 -0.270 0.000 1.035 413 V CB -1.445 30.318 31.823 -0.100 0.000 0.658 413 V HN 0.647 nan 8.190 nan 0.000 0.452 414 G N -1.077 107.520 108.800 -0.338 0.000 2.471 414 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 414 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 414 G C 1.647 176.431 174.900 -0.194 0.000 1.125 414 G CA 1.427 46.413 45.100 -0.190 0.000 0.775 414 G HN 0.486 nan 8.290 nan 0.000 0.548 415 T N 0.642 114.999 114.554 -0.327 0.000 2.901 415 T HA 0.135 4.485 4.350 0.001 0.000 0.252 415 T C 2.316 176.925 174.700 -0.151 0.000 1.035 415 T CA 0.309 62.239 62.100 -0.285 0.000 1.142 415 T CB -0.047 68.516 68.868 -0.508 0.000 0.869 415 T HN 0.123 nan 8.240 nan 0.000 0.442 416 L N 0.244 121.374 121.223 -0.154 0.000 2.341 416 L HA 0.228 4.568 4.340 0.001 0.000 0.214 416 L C 0.508 177.336 176.870 -0.069 0.000 1.115 416 L CA 0.404 55.197 54.840 -0.079 0.000 0.820 416 L CB -0.256 41.783 42.059 -0.033 0.000 0.944 416 L HN 0.208 nan 8.230 nan 0.000 0.452 417 K N -0.222 120.100 120.400 -0.131 0.000 3.239 417 K HA -0.121 4.199 4.320 0.001 0.000 0.270 417 K C -2.205 174.424 176.600 0.048 0.000 1.049 417 K CA -0.229 56.056 56.287 -0.004 0.000 0.769 417 K CB -1.547 31.012 32.500 0.098 0.000 1.305 417 K HN 0.246 nan 8.250 nan 0.000 0.469 418 P HA -0.030 nan 4.420 nan 0.000 0.267 418 P C -0.031 177.362 177.300 0.155 0.000 1.200 418 P CA 0.404 63.524 63.100 0.032 0.000 0.772 418 P CB 0.647 32.334 31.700 -0.020 0.000 0.855 419 E N 1.083 121.341 120.200 0.097 0.000 2.342 419 E HA 0.112 4.462 4.350 0.001 0.000 0.257 419 E C 0.426 177.073 176.600 0.077 0.000 1.150 419 E CA -0.633 55.821 56.400 0.090 0.000 0.926 419 E CB 0.126 29.855 29.700 0.048 0.000 1.074 419 E HN 0.380 nan 8.360 nan 0.000 0.449 420 N N -1.117 117.616 118.700 0.056 0.000 2.714 420 N HA -0.176 4.564 4.740 0.001 0.000 0.250 420 N C -0.697 174.837 175.510 0.040 0.000 1.117 420 N CA 1.240 54.310 53.050 0.034 0.000 0.719 420 N CB -1.856 36.641 38.487 0.018 0.000 1.081 420 N HN 0.321 nan 8.380 nan 0.000 0.557 421 V N -3.536 116.426 119.914 0.079 0.000 3.007 421 V HA 0.744 4.864 4.120 0.001 0.000 0.311 421 V C -0.213 175.931 176.094 0.084 0.000 1.120 421 V CA -0.954 61.395 62.300 0.082 0.000 0.980 421 V CB 3.055 34.935 31.823 0.096 0.000 1.033 421 V HN 0.142 nan 8.190 nan 0.000 0.429 422 E N 2.891 123.114 120.200 0.038 0.000 2.218 422 E HA 0.607 4.957 4.350 0.001 0.000 0.263 422 E C -1.703 174.854 176.600 -0.071 0.000 0.879 422 E CA -0.812 55.573 56.400 -0.025 0.000 0.762 422 E CB 1.771 31.439 29.700 -0.053 0.000 1.166 422 E HN 0.751 nan 8.360 nan 0.000 0.415 423 I N 4.387 124.887 120.570 -0.117 0.000 2.436 423 I HA 0.307 4.477 4.170 0.001 0.000 0.289 423 I C -0.372 175.422 176.117 -0.537 0.000 1.010 423 I CA -0.706 60.410 61.300 -0.307 0.000 1.098 423 I CB 1.163 38.925 38.000 -0.396 0.000 1.266 423 I HN 0.581 nan 8.210 nan 0.000 0.434 424 H N 6.210 125.147 119.070 -0.221 0.000 2.488 424 H HA 0.415 4.972 4.556 0.001 0.000 0.322 424 H C -1.149 174.045 175.328 -0.223 0.000 1.078 424 H CA -0.306 55.720 56.048 -0.036 0.000 1.260 424 H CB 1.490 31.320 29.762 0.114 0.000 1.425 424 H HN 0.303 nan 8.280 nan 0.000 0.471 425 F N 3.949 124.092 119.950 0.321 0.000 2.347 425 F HA 0.324 4.851 4.527 0.001 0.000 0.366 425 F C 0.032 175.936 175.800 0.173 0.000 1.107 425 F CA -0.507 57.616 58.000 0.206 0.000 1.058 425 F CB 0.838 39.945 39.000 0.178 0.000 1.236 425 F HN 0.177 nan 8.300 nan 0.000 0.456 426 L N 2.521 123.857 121.223 0.189 0.000 2.346 426 L HA 0.737 5.077 4.340 0.001 0.000 0.274 426 L C -0.188 176.541 176.870 -0.234 0.000 1.007 426 L CA -0.720 54.100 54.840 -0.034 0.000 0.818 426 L CB 2.227 44.280 42.059 -0.010 0.000 1.284 426 L HN 0.513 nan 8.230 nan 0.000 0.424 427 S N 1.526 116.884 115.700 -0.571 0.000 2.649 427 S HA 0.644 5.114 4.470 0.001 0.000 0.274 427 S C -0.774 173.239 174.600 -0.978 0.000 1.176 427 S CA -0.469 57.383 58.200 -0.579 0.000 0.988 427 S CB 1.593 64.637 63.200 -0.260 0.000 1.071 427 S HN 0.685 nan 8.310 nan 0.000 0.478 428 A N 4.709 126.953 122.820 -0.959 0.000 2.807 428 A HA 0.559 4.880 4.320 0.001 0.000 0.307 428 A C -0.068 177.237 177.584 -0.465 0.000 1.532 428 A CA -0.336 51.072 52.037 -1.050 0.000 1.215 428 A CB -0.430 17.785 19.000 -1.308 0.000 1.127 428 A HN 0.797 nan 8.150 nan 0.000 0.543 429 V N 2.609 122.455 119.914 -0.113 0.000 2.461 429 V HA 0.448 4.568 4.120 0.001 0.000 0.275 429 V C 0.609 176.859 176.094 0.259 0.000 1.047 429 V CA -0.093 62.240 62.300 0.055 0.000 0.955 429 V CB -0.257 31.576 31.823 0.018 0.000 0.988 429 V HN 1.167 nan 8.190 nan 0.000 0.471 430 C N 2.470 121.889 119.300 0.199 0.000 3.272 430 C HA 0.832 5.292 4.460 0.001 0.000 0.363 430 C C -0.893 174.170 174.990 0.121 0.000 1.514 430 C CA -0.881 58.243 59.018 0.177 0.000 1.185 430 C CB 1.663 29.524 27.740 0.202 0.000 1.716 430 C HN 0.883 nan 8.230 nan 0.000 0.440 431 E N 0.692 120.968 120.200 0.127 0.000 2.272 431 E HA 0.447 4.797 4.350 0.001 0.000 0.269 431 E C -1.609 175.068 176.600 0.127 0.000 0.877 431 E CA -0.290 56.201 56.400 0.152 0.000 0.755 431 E CB 1.554 31.396 29.700 0.237 0.000 1.192 431 E HN 0.660 nan 8.360 nan 0.000 0.422 432 N N 5.065 123.833 118.700 0.113 0.000 2.589 432 N HA 0.225 4.966 4.740 0.001 0.000 0.232 432 N C -1.122 174.466 175.510 0.129 0.000 1.015 432 N CA -0.078 53.031 53.050 0.098 0.000 0.931 432 N CB 0.359 38.881 38.487 0.059 0.000 1.150 432 N HN 0.423 nan 8.380 nan 0.000 0.512 433 M N 1.320 121.000 119.600 0.132 0.000 2.796 433 M HA 0.479 4.959 4.480 0.001 0.000 0.303 433 M C -0.600 175.720 176.300 0.034 0.000 1.240 433 M CA -1.062 54.305 55.300 0.112 0.000 0.831 433 M CB 1.566 34.232 32.600 0.110 0.000 1.750 433 M HN -0.076 nan 8.290 nan 0.000 0.484 434 V N 0.647 120.531 119.914 -0.051 0.000 2.398 434 V HA 0.713 4.833 4.120 0.001 0.000 0.286 434 V C -0.082 175.934 176.094 -0.128 0.000 1.026 434 V CA -0.202 61.957 62.300 -0.234 0.000 0.868 434 V CB 1.409 33.011 31.823 -0.368 0.000 0.982 434 V HN 0.959 nan 8.190 nan 0.000 0.443 435 S N 2.958 118.627 115.700 -0.051 0.000 2.611 435 S HA 0.333 4.803 4.470 0.001 0.000 0.268 435 S C 0.700 175.400 174.600 0.167 0.000 1.156 435 S CA -0.253 57.976 58.200 0.050 0.000 0.817 435 S CB 1.738 64.970 63.200 0.053 0.000 1.122 435 S HN 0.861 nan 8.310 nan 0.000 0.466 436 K N 1.415 121.887 120.400 0.120 0.000 2.281 436 K HA -0.065 4.255 4.320 0.001 0.000 0.203 436 K C 0.768 177.435 176.600 0.113 0.000 1.046 436 K CA 2.090 58.449 56.287 0.120 0.000 0.938 436 K CB -0.589 31.950 32.500 0.064 0.000 0.737 436 K HN 0.543 nan 8.250 nan 0.000 0.458 437 N N 0.436 119.199 118.700 0.105 0.000 2.336 437 N HA 0.040 4.780 4.740 0.001 0.000 0.189 437 N C -0.477 175.113 175.510 0.133 0.000 1.113 437 N CA -0.313 52.790 53.050 0.088 0.000 0.858 437 N CB 0.590 39.106 38.487 0.049 0.000 0.970 437 N HN 0.047 nan 8.380 nan 0.000 0.471 438 S N 0.770 116.604 115.700 0.223 0.000 2.593 438 S HA 0.038 4.508 4.470 0.001 0.000 0.269 438 S C -0.170 174.624 174.600 0.324 0.000 1.334 438 S CA -0.617 57.766 58.200 0.306 0.000 1.015 438 S CB 0.208 63.670 63.200 0.437 0.000 0.912 438 S HN 0.287 nan 8.310 nan 0.000 0.541 439 Y N 1.051 121.411 120.300 0.101 0.000 2.357 439 Y HA 0.596 5.146 4.550 0.001 0.000 0.340 439 Y C 0.095 176.034 175.900 0.065 0.000 1.260 439 Y CA -1.096 57.039 58.100 0.058 0.000 1.425 439 Y CB 0.190 38.675 38.460 0.042 0.000 1.326 439 Y HN 0.462 nan 8.280 nan 0.000 0.580 440 R N 1.758 122.158 120.500 -0.167 0.000 2.803 440 R HA 0.491 4.831 4.340 0.001 0.000 0.276 440 R C -2.732 173.375 176.300 -0.323 0.000 0.978 440 R CA -2.274 53.654 56.100 -0.285 0.000 0.939 440 R CB 1.254 31.401 30.300 -0.255 0.000 1.179 440 R HN 0.464 nan 8.270 nan 0.000 0.472 441 P HA -0.013 nan 4.420 nan 0.000 0.262 441 P C 0.509 177.728 177.300 -0.136 0.000 1.182 441 P CA 0.936 63.923 63.100 -0.189 0.000 0.761 441 P CB 0.592 32.215 31.700 -0.128 0.000 0.795 442 G N 2.100 110.842 108.800 -0.096 0.000 2.234 442 G HA2 -0.196 3.765 3.960 0.001 0.000 0.235 442 G HA3 -0.196 3.765 3.960 0.001 0.000 0.235 442 G C -0.052 174.821 174.900 -0.045 0.000 0.997 442 G CA -0.259 44.802 45.100 -0.064 0.000 0.623 442 G HN 0.510 nan 8.290 nan 0.000 0.514 443 D N 0.601 120.973 120.400 -0.047 0.000 2.443 443 D HA 0.439 5.079 4.640 0.001 0.000 0.239 443 D C 0.749 177.076 176.300 0.046 0.000 1.136 443 D CA 0.380 54.381 54.000 0.003 0.000 0.879 443 D CB 0.735 41.562 40.800 0.046 0.000 1.195 443 D HN 0.361 nan 8.370 nan 0.000 0.443 444 I N 3.557 124.156 120.570 0.049 0.000 2.330 444 I HA 0.277 4.447 4.170 0.001 0.000 0.289 444 I C 0.279 176.449 176.117 0.088 0.000 1.001 444 I CA -0.649 60.697 61.300 0.076 0.000 1.193 444 I CB 0.581 38.622 38.000 0.067 0.000 1.345 444 I HN 0.193 nan 8.210 nan 0.000 0.461 445 I N 2.177 122.816 120.570 0.114 0.000 2.750 445 I HA 0.655 4.826 4.170 0.001 0.000 0.308 445 I C -0.618 175.567 176.117 0.112 0.000 1.016 445 I CA -0.442 60.924 61.300 0.109 0.000 1.098 445 I CB 2.284 40.360 38.000 0.127 0.000 1.279 445 I HN 0.268 nan 8.210 nan 0.000 0.454 446 T N 3.490 118.101 114.554 0.094 0.000 2.786 446 T HA 0.657 5.007 4.350 0.001 0.000 0.283 446 T C 0.143 174.904 174.700 0.103 0.000 0.992 446 T CA -0.420 61.739 62.100 0.099 0.000 0.954 446 T CB 1.428 70.340 68.868 0.073 0.000 0.934 446 T HN 0.844 nan 8.240 nan 0.000 0.440 447 A N 2.153 125.056 122.820 0.139 0.000 2.313 447 A HA 0.496 4.816 4.320 0.001 0.000 0.261 447 A C 1.649 179.306 177.584 0.122 0.000 1.090 447 A CA -0.213 51.908 52.037 0.139 0.000 0.807 447 A CB 0.059 19.204 19.000 0.243 0.000 1.055 447 A HN 0.950 nan 8.150 nan 0.000 0.492 448 S N 0.295 116.061 115.700 0.109 0.000 2.507 448 S HA -0.148 4.322 4.470 0.001 0.000 0.235 448 S C 0.911 175.560 174.600 0.081 0.000 0.988 448 S CA 1.092 59.343 58.200 0.086 0.000 0.944 448 S CB -0.537 62.712 63.200 0.080 0.000 0.762 448 S HN 0.876 nan 8.310 nan 0.000 0.526 449 N N 1.090 119.860 118.700 0.116 0.000 2.314 449 N HA 0.245 4.986 4.740 0.001 0.000 0.200 449 N C 1.194 176.728 175.510 0.040 0.000 1.135 449 N CA 0.523 53.612 53.050 0.066 0.000 0.835 449 N CB -0.422 38.096 38.487 0.052 0.000 0.989 449 N HN 0.545 nan 8.380 nan 0.000 0.478 450 G N -0.053 108.783 108.800 0.060 0.000 2.199 450 G HA2 -0.318 3.642 3.960 0.001 0.000 0.254 450 G HA3 -0.318 3.642 3.960 0.001 0.000 0.254 450 G C -0.188 174.739 174.900 0.046 0.000 0.982 450 G CA 0.130 45.254 45.100 0.041 0.000 0.632 450 G HN 0.467 nan 8.290 nan 0.000 0.529 451 K N 2.132 122.570 120.400 0.063 0.000 2.368 451 K HA 0.417 4.737 4.320 0.001 0.000 0.282 451 K C 0.798 177.472 176.600 0.123 0.000 1.035 451 K CA 0.642 56.965 56.287 0.060 0.000 0.973 451 K CB 0.580 33.076 32.500 -0.007 0.000 0.957 451 K HN 0.398 nan 8.250 nan 0.000 0.474 452 T N 0.547 115.160 114.554 0.099 0.000 2.845 452 T HA 0.539 4.890 4.350 0.001 0.000 0.288 452 T C 0.190 174.986 174.700 0.160 0.000 0.980 452 T CA -0.765 61.407 62.100 0.120 0.000 1.071 452 T CB 0.504 69.428 68.868 0.094 0.000 0.941 452 T HN 0.349 nan 8.240 nan 0.000 0.487 453 I N 1.788 122.470 120.570 0.188 0.000 2.466 453 I HA 0.344 4.514 4.170 0.001 0.000 0.289 453 I C 0.057 176.284 176.117 0.184 0.000 1.026 453 I CA -0.815 60.631 61.300 0.244 0.000 1.078 453 I CB 2.283 40.488 38.000 0.342 0.000 1.249 453 I HN 0.733 nan 8.210 nan 0.000 0.429 454 E N 5.802 126.103 120.200 0.168 0.000 2.130 454 E HA 0.323 4.674 4.350 0.001 0.000 0.284 454 E C -1.063 175.593 176.600 0.093 0.000 1.018 454 E CA -0.645 55.827 56.400 0.119 0.000 0.817 454 E CB 1.261 31.032 29.700 0.117 0.000 1.078 454 E HN 0.364 nan 8.360 nan 0.000 0.396 455 V N 4.874 124.827 119.914 0.065 0.000 2.446 455 V HA 0.128 4.248 4.120 0.001 0.000 0.276 455 V C 1.161 177.237 176.094 -0.030 0.000 1.030 455 V CA 0.748 63.057 62.300 0.014 0.000 1.033 455 V CB 1.099 32.915 31.823 -0.012 0.000 0.993 455 V HN 0.932 nan 8.190 nan 0.000 0.477 456 G N 3.832 112.609 108.800 -0.037 0.000 2.762 456 G HA2 0.068 4.028 3.960 0.001 0.000 0.209 456 G HA3 0.068 4.028 3.960 0.001 0.000 0.209 456 G C 0.479 175.340 174.900 -0.064 0.000 1.134 456 G CA 0.058 45.134 45.100 -0.040 0.000 0.781 456 G HN 0.597 nan 8.290 nan 0.000 0.528 457 N N -0.009 118.642 118.700 -0.082 0.000 2.503 457 N HA 0.071 4.812 4.740 0.001 0.000 0.287 457 N C 0.996 176.446 175.510 -0.100 0.000 1.096 457 N CA 0.273 53.273 53.050 -0.084 0.000 0.936 457 N CB 1.501 39.953 38.487 -0.059 0.000 1.570 457 N HN -0.034 nan 8.380 nan 0.000 0.504 458 T N -0.934 113.530 114.554 -0.150 0.000 3.051 458 T HA -0.067 4.284 4.350 0.001 0.000 0.269 458 T C 0.903 175.634 174.700 0.051 0.000 1.127 458 T CA 0.905 62.895 62.100 -0.184 0.000 1.107 458 T CB 0.078 68.759 68.868 -0.311 0.000 0.898 458 T HN 0.364 nan 8.240 nan 0.000 0.517 459 D N 1.364 121.768 120.400 0.005 0.000 2.340 459 D HA 0.276 4.916 4.640 0.001 0.000 0.220 459 D C 1.366 177.668 176.300 0.004 0.000 1.039 459 D CA 0.065 54.073 54.000 0.013 0.000 0.866 459 D CB -0.294 40.500 40.800 -0.011 0.000 0.913 459 D HN 0.517 nan 8.370 nan 0.000 0.523 460 A N 0.980 123.796 122.820 -0.007 0.000 2.734 460 A HA 0.069 4.389 4.320 0.001 0.000 0.279 460 A C 1.624 179.192 177.584 -0.027 0.000 1.386 460 A CA -0.190 51.821 52.037 -0.044 0.000 0.987 460 A CB -0.391 18.543 19.000 -0.109 0.000 1.041 460 A HN 0.201 nan 8.150 nan 0.000 0.569 461 E N 0.006 120.229 120.200 0.039 0.000 2.274 461 E HA -0.090 4.261 4.350 0.001 0.000 0.194 461 E C 1.537 178.135 176.600 -0.003 0.000 0.996 461 E CA 1.359 57.798 56.400 0.065 0.000 0.840 461 E CB -0.824 28.936 29.700 0.100 0.000 0.772 461 E HN 0.362 nan 8.360 nan 0.000 0.491 462 G N 2.520 111.307 108.800 -0.021 0.000 2.402 462 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 462 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 462 G C 1.869 176.747 174.900 -0.036 0.000 1.162 462 G CA 1.079 46.164 45.100 -0.026 0.000 0.777 462 G HN 0.463 nan 8.290 nan 0.000 0.539 463 R N 0.215 120.674 120.500 -0.069 0.000 2.189 463 R HA 0.206 4.547 4.340 0.001 0.000 0.218 463 R C 2.131 178.419 176.300 -0.021 0.000 1.074 463 R CA 0.664 56.728 56.100 -0.060 0.000 0.991 463 R CB -0.492 29.700 30.300 -0.180 0.000 0.883 463 R HN 0.376 nan 8.270 nan 0.000 0.457 464 L N 1.663 122.847 121.223 -0.065 0.000 2.044 464 L HA -0.099 4.242 4.340 0.001 0.000 0.205 464 L C 2.872 179.729 176.870 -0.021 0.000 1.075 464 L CA 1.861 56.692 54.840 -0.016 0.000 0.747 464 L CB -0.856 41.203 42.059 -0.000 0.000 0.903 464 L HN 0.409 nan 8.230 nan 0.000 0.435 465 T N -1.394 113.155 114.554 -0.009 0.000 2.708 465 T HA -0.182 4.169 4.350 0.001 0.000 0.266 465 T C 1.885 176.519 174.700 -0.110 0.000 1.037 465 T CA 1.122 63.203 62.100 -0.030 0.000 1.146 465 T CB -0.630 68.214 68.868 -0.041 0.000 0.865 465 T HN 0.201 nan 8.240 nan 0.000 0.435 466 L N 1.123 122.296 121.223 -0.082 0.000 2.093 466 L HA 0.051 4.391 4.340 0.001 0.000 0.208 466 L C 3.397 180.206 176.870 -0.102 0.000 1.085 466 L CA 1.049 55.851 54.840 -0.065 0.000 0.755 466 L CB -0.898 41.157 42.059 -0.006 0.000 0.904 466 L HN 0.410 nan 8.230 nan 0.000 0.435 467 A N 0.091 122.783 122.820 -0.214 0.000 1.892 467 A HA -0.275 4.045 4.320 0.001 0.000 0.218 467 A C 2.004 179.402 177.584 -0.311 0.000 1.188 467 A CA 2.255 53.949 52.037 -0.572 0.000 0.631 467 A CB -0.579 17.589 19.000 -1.387 0.000 0.822 467 A HN 0.364 nan 8.150 nan 0.000 0.447 468 D N -0.408 119.897 120.400 -0.157 0.000 2.144 468 D HA 0.016 4.657 4.640 0.001 0.000 0.200 468 D C 2.238 178.587 176.300 0.082 0.000 0.978 468 D CA 1.318 55.319 54.000 0.002 0.000 0.833 468 D CB -0.322 40.534 40.800 0.093 0.000 0.961 468 D HN 0.424 nan 8.370 nan 0.000 0.470 469 A N 0.643 123.501 122.820 0.064 0.000 1.933 469 A HA -0.104 4.216 4.320 0.001 0.000 0.218 469 A C 2.375 180.070 177.584 0.185 0.000 1.175 469 A CA 0.786 52.934 52.037 0.185 0.000 0.628 469 A CB -0.620 18.389 19.000 0.015 0.000 0.814 469 A HN 0.192 nan 8.150 nan 0.000 0.444 470 L N -0.707 120.568 121.223 0.087 0.000 2.056 470 L HA -0.137 4.203 4.340 0.001 0.000 0.207 470 L C 2.525 179.443 176.870 0.080 0.000 1.078 470 L CA 0.942 55.822 54.840 0.067 0.000 0.749 470 L CB -0.598 41.442 42.059 -0.032 0.000 0.901 470 L HN 0.231 nan 8.230 nan 0.000 0.433 471 V N -0.726 119.246 119.914 0.096 0.000 2.287 471 V HA -0.370 3.751 4.120 0.001 0.000 0.248 471 V C 2.255 178.396 176.094 0.080 0.000 1.053 471 V CA 2.134 64.487 62.300 0.089 0.000 1.027 471 V CB -0.741 31.149 31.823 0.112 0.000 0.646 471 V HN 0.396 nan 8.190 nan 0.000 0.447 472 Y N 1.222 121.513 120.300 -0.016 0.000 2.128 472 Y HA -0.287 4.264 4.550 0.001 0.000 0.284 472 Y C 2.412 178.281 175.900 -0.051 0.000 1.154 472 Y CA 1.904 59.966 58.100 -0.063 0.000 1.149 472 Y CB -0.519 37.876 38.460 -0.108 0.000 0.976 472 Y HN 0.161 nan 8.280 nan 0.000 0.505 473 A N -0.078 122.857 122.820 0.192 0.000 1.902 473 A HA -0.258 4.062 4.320 0.001 0.000 0.217 473 A C 2.201 179.775 177.584 -0.016 0.000 1.181 473 A CA 1.952 54.044 52.037 0.092 0.000 0.623 473 A CB -0.891 18.199 19.000 0.150 0.000 0.818 473 A HN 0.651 nan 8.150 nan 0.000 0.443 474 E N -0.273 119.926 120.200 -0.002 0.000 2.150 474 E HA -0.155 4.196 4.350 0.001 0.000 0.193 474 E C 1.763 178.319 176.600 -0.074 0.000 0.985 474 E CA 1.080 57.467 56.400 -0.022 0.000 0.814 474 E CB -0.069 29.625 29.700 -0.011 0.000 0.752 474 E HN 0.586 nan 8.360 nan 0.000 0.466 475 K N 0.080 120.406 120.400 -0.124 0.000 2.442 475 K HA -0.033 4.288 4.320 0.001 0.000 0.198 475 K C 1.745 178.221 176.600 -0.207 0.000 1.042 475 K CA 0.311 56.500 56.287 -0.165 0.000 0.958 475 K CB 0.118 32.492 32.500 -0.209 0.000 0.766 475 K HN 0.227 nan 8.250 nan 0.000 0.474 476 L N -0.267 120.813 121.223 -0.240 0.000 2.478 476 L HA 0.022 4.363 4.340 0.001 0.000 0.223 476 L C 0.930 177.722 176.870 -0.130 0.000 1.140 476 L CA 0.436 55.127 54.840 -0.248 0.000 0.842 476 L CB -0.256 41.571 42.059 -0.386 0.000 0.953 476 L HN 0.355 nan 8.230 nan 0.000 0.452 477 G N 0.811 109.559 108.800 -0.086 0.000 2.291 477 G HA2 -0.214 3.746 3.960 0.001 0.000 0.271 477 G HA3 -0.214 3.746 3.960 0.001 0.000 0.271 477 G C -0.191 174.695 174.900 -0.023 0.000 1.099 477 G CA 0.057 45.129 45.100 -0.046 0.000 0.919 477 G HN 0.090 nan 8.290 nan 0.000 0.496 478 V N -0.090 119.817 119.914 -0.012 0.000 2.837 478 V HA 0.435 4.556 4.120 0.001 0.000 0.310 478 V C 1.164 177.238 176.094 -0.032 0.000 1.059 478 V CA -0.038 62.271 62.300 0.015 0.000 1.004 478 V CB 1.542 33.402 31.823 0.062 0.000 1.045 478 V HN 0.348 nan 8.190 nan 0.000 0.465 479 D N 1.400 121.734 120.400 -0.109 0.000 2.183 479 D HA 0.029 4.669 4.640 0.001 0.000 0.205 479 D C -0.590 175.485 176.300 -0.374 0.000 0.962 479 D CA 1.491 55.306 54.000 -0.308 0.000 0.849 479 D CB 0.281 40.764 40.800 -0.528 0.000 0.978 479 D HN 0.478 nan 8.370 nan 0.000 0.488 480 Y N -0.375 120.002 120.300 0.128 0.000 2.492 480 Y HA 0.487 5.038 4.550 0.000 0.000 0.346 480 Y C -0.173 175.835 175.900 0.180 0.000 0.997 480 Y CA -0.958 57.244 58.100 0.169 0.000 1.025 480 Y CB 1.841 40.447 38.460 0.245 0.000 1.263 480 Y HN -0.311 nan 8.280 nan 0.000 0.454 481 I N 3.451 124.249 120.570 0.380 0.000 2.418 481 I HA 0.526 4.696 4.170 0.001 0.000 0.287 481 I C -1.112 175.175 176.117 0.283 0.000 1.008 481 I CA -0.941 60.558 61.300 0.331 0.000 1.104 481 I CB 1.563 39.784 38.000 0.368 0.000 1.264 481 I HN 0.241 nan 8.210 nan 0.000 0.438 482 V N 4.875 124.890 119.914 0.169 0.000 2.444 482 V HA 0.307 4.427 4.120 0.001 0.000 0.294 482 V C -0.637 175.519 176.094 0.103 0.000 1.022 482 V CA -0.596 61.716 62.300 0.019 0.000 0.850 482 V CB 1.876 33.581 31.823 -0.198 0.000 0.992 482 V HN 0.842 nan 8.190 nan 0.000 0.426 483 D N 4.118 124.615 120.400 0.161 0.000 2.228 483 D HA 0.686 5.327 4.640 0.001 0.000 0.247 483 D C -0.627 175.769 176.300 0.159 0.000 0.995 483 D CA -0.540 53.587 54.000 0.212 0.000 0.903 483 D CB 2.409 43.420 40.800 0.352 0.000 1.205 483 D HN 0.516 nan 8.370 nan 0.000 0.459 484 I N 0.717 121.364 120.570 0.129 0.000 2.619 484 I HA 0.733 4.903 4.170 0.001 0.000 0.292 484 I C -1.810 174.354 176.117 0.078 0.000 1.100 484 I CA -0.628 60.722 61.300 0.083 0.000 1.043 484 I CB 1.505 39.541 38.000 0.060 0.000 1.239 484 I HN 0.804 nan 8.210 nan 0.000 0.420 485 A N 3.355 126.211 122.820 0.060 0.000 2.555 485 A HA 0.500 4.821 4.320 0.001 0.000 0.297 485 A C -0.525 177.053 177.584 -0.011 0.000 1.060 485 A CA -0.417 51.647 52.037 0.046 0.000 0.710 485 A CB 1.133 20.232 19.000 0.166 0.000 1.282 485 A HN 0.688 nan 8.150 nan 0.000 0.399 486 T N 1.430 115.913 114.554 -0.119 0.000 3.781 486 T HA 0.332 4.682 4.350 0.001 0.000 0.286 486 T C 0.747 175.417 174.700 -0.050 0.000 1.277 486 T CA -0.036 61.956 62.100 -0.181 0.000 1.136 486 T CB -0.238 68.270 68.868 -0.601 0.000 1.202 486 T HN 0.575 nan 8.240 nan 0.000 0.884 487 L N 2.832 124.083 121.223 0.048 0.000 2.200 487 L HA 0.306 4.646 4.340 0.001 0.000 0.200 487 L C 1.122 178.040 176.870 0.079 0.000 1.072 487 L CA 1.166 56.055 54.840 0.081 0.000 0.787 487 L CB 0.111 42.275 42.059 0.176 0.000 0.957 487 L HN 0.826 nan 8.230 nan 0.000 0.459 488 T N -4.346 110.272 114.554 0.107 0.000 2.928 488 T HA 0.485 4.835 4.350 0.001 0.000 0.296 488 T C 0.888 175.671 174.700 0.138 0.000 1.000 488 T CA -0.306 61.858 62.100 0.106 0.000 0.989 488 T CB 1.277 70.206 68.868 0.102 0.000 1.005 488 T HN 0.133 nan 8.240 nan 0.000 0.442 489 G N 1.529 110.410 108.800 0.136 0.000 2.479 489 G HA2 -0.011 3.950 3.960 0.001 0.000 0.220 489 G HA3 -0.011 3.950 3.960 0.001 0.000 0.220 489 G C 1.594 176.623 174.900 0.215 0.000 1.115 489 G CA 0.623 45.825 45.100 0.170 0.000 0.757 489 G HN 1.158 nan 8.290 nan 0.000 0.560 490 A N 0.644 123.572 122.820 0.181 0.000 2.076 490 A HA -0.049 4.271 4.320 0.001 0.000 0.220 490 A C 2.370 180.100 177.584 0.244 0.000 1.160 490 A CA 1.734 53.901 52.037 0.216 0.000 0.653 490 A CB -0.315 18.756 19.000 0.119 0.000 0.801 490 A HN 0.313 nan 8.150 nan 0.000 0.455 491 M N -0.363 119.355 119.600 0.197 0.000 2.144 491 M HA -0.141 4.340 4.480 0.001 0.000 0.260 491 M C 2.027 178.389 176.300 0.104 0.000 1.067 491 M CA 1.235 56.631 55.300 0.161 0.000 1.095 491 M CB -1.449 31.238 32.600 0.146 0.000 1.365 491 M HN 0.446 nan 8.290 nan 0.000 0.406 492 L N -1.633 119.639 121.223 0.082 0.000 2.189 492 L HA -0.257 4.083 4.340 0.001 0.000 0.214 492 L C 2.032 178.746 176.870 -0.260 0.000 1.097 492 L CA 1.434 56.215 54.840 -0.099 0.000 0.764 492 L CB -0.774 41.174 42.059 -0.185 0.000 0.900 492 L HN 0.262 nan 8.230 nan 0.000 0.436 493 Y N -1.359 118.942 120.300 0.001 0.000 2.497 493 Y HA -0.048 4.502 4.550 0.000 0.000 0.265 493 Y C 2.711 178.603 175.900 -0.013 0.000 1.111 493 Y CA 0.703 58.796 58.100 -0.012 0.000 1.288 493 Y CB 0.082 38.538 38.460 -0.006 0.000 1.082 493 Y HN 0.206 nan 8.280 nan 0.000 0.536 494 S N -1.181 114.586 115.700 0.113 0.000 2.517 494 S HA 0.093 4.563 4.470 0.001 0.000 0.228 494 S C 1.445 176.025 174.600 -0.032 0.000 1.060 494 S CA 0.359 58.595 58.200 0.060 0.000 0.937 494 S CB -0.394 62.870 63.200 0.106 0.000 0.840 494 S HN 0.326 nan 8.310 nan 0.000 0.546 495 L N 0.869 122.074 121.223 -0.029 0.000 2.672 495 L HA 0.412 4.752 4.340 0.001 0.000 0.236 495 L C 1.541 178.344 176.870 -0.112 0.000 1.092 495 L CA 0.319 55.102 54.840 -0.096 0.000 0.887 495 L CB -0.163 41.892 42.059 -0.007 0.000 1.168 495 L HN 0.679 nan 8.230 nan 0.000 0.502 496 G N 1.312 110.065 108.800 -0.078 0.000 2.525 496 G HA2 -0.365 3.595 3.960 0.001 0.000 0.248 496 G HA3 -0.365 3.595 3.960 0.001 0.000 0.248 496 G C 0.627 175.517 174.900 -0.017 0.000 1.238 496 G CA 0.315 45.361 45.100 -0.091 0.000 0.926 496 G HN 0.228 nan 8.290 nan 0.000 0.574 497 T N -2.868 111.691 114.554 0.009 0.000 3.060 497 T HA 0.459 4.809 4.350 0.001 0.000 0.249 497 T C 2.124 176.892 174.700 0.114 0.000 1.079 497 T CA 1.678 63.838 62.100 0.101 0.000 1.013 497 T CB 0.410 69.372 68.868 0.157 0.000 0.975 497 T HN 0.626 nan 8.240 nan 0.000 0.518 498 S N -0.161 115.605 115.700 0.110 0.000 2.452 498 S HA 0.302 4.772 4.470 0.001 0.000 0.225 498 S C -0.024 174.829 174.600 0.421 0.000 1.057 498 S CA -0.156 58.188 58.200 0.240 0.000 0.949 498 S CB -0.086 63.248 63.200 0.223 0.000 0.836 498 S HN 0.629 nan 8.310 nan 0.000 0.518 499 Y N 1.033 121.350 120.300 0.027 0.000 2.360 499 Y HA 0.642 5.192 4.550 0.000 0.000 0.337 499 Y C 0.321 176.212 175.900 -0.016 0.000 1.039 499 Y CA -1.412 56.722 58.100 0.057 0.000 1.109 499 Y CB 1.105 39.614 38.460 0.082 0.000 1.201 499 Y HN 0.150 nan 8.280 nan 0.000 0.458 500 A N 1.993 124.868 122.820 0.091 0.000 2.304 500 A HA 0.677 4.997 4.320 0.001 0.000 0.271 500 A C 0.282 177.926 177.584 0.100 0.000 1.091 500 A CA -0.105 51.916 52.037 -0.025 0.000 0.812 500 A CB 0.295 19.196 19.000 -0.164 0.000 1.056 500 A HN 0.854 nan 8.150 nan 0.000 0.489 501 G N -0.979 107.857 108.800 0.060 0.000 2.371 501 G HA2 0.527 4.488 3.960 0.001 0.000 0.326 501 G HA3 0.527 4.488 3.960 0.001 0.000 0.326 501 G C -1.034 173.805 174.900 -0.101 0.000 1.127 501 G CA -0.290 44.808 45.100 -0.004 0.000 0.885 501 G HN 1.233 nan 8.290 nan 0.000 0.477 502 V N 2.458 122.245 119.914 -0.211 0.000 2.495 502 V HA 0.834 4.954 4.120 0.001 0.000 0.298 502 V C -1.257 174.668 176.094 -0.282 0.000 1.031 502 V CA -0.927 61.259 62.300 -0.189 0.000 0.871 502 V CB 0.990 32.717 31.823 -0.160 0.000 0.988 502 V HN 0.546 nan 8.190 nan 0.000 0.432 503 F N 4.409 124.349 119.950 -0.017 0.000 2.561 503 F HA 0.985 5.513 4.527 0.001 0.000 0.321 503 F C 0.696 176.373 175.800 -0.205 0.000 1.065 503 F CA 0.010 58.047 58.000 0.061 0.000 0.934 503 F CB 2.538 41.634 39.000 0.160 0.000 1.215 503 F HN 0.812 nan 8.300 nan 0.000 0.471 504 G N 0.723 109.571 108.800 0.079 0.000 2.441 504 G HA2 0.232 4.192 3.960 0.001 0.000 0.294 504 G HA3 0.232 4.192 3.960 0.001 0.000 0.294 504 G C -1.263 173.693 174.900 0.093 0.000 1.393 504 G CA -0.825 44.140 45.100 -0.226 0.000 0.796 504 G HN 0.625 nan 8.290 nan 0.000 0.494 505 N N -0.453 118.346 118.700 0.165 0.000 2.203 505 N HA 0.111 4.851 4.740 0.001 0.000 0.207 505 N C -0.105 175.506 175.510 0.169 0.000 1.130 505 N CA -0.248 52.971 53.050 0.281 0.000 0.861 505 N CB 0.650 39.415 38.487 0.464 0.000 1.005 505 N HN 0.471 nan 8.380 nan 0.000 0.507 506 N N 0.536 119.283 118.700 0.079 0.000 2.542 506 N HA 0.082 4.822 4.740 0.001 0.000 0.288 506 N C -0.509 174.959 175.510 -0.070 0.000 1.115 506 N CA -0.089 52.987 53.050 0.043 0.000 0.924 506 N CB 1.758 40.299 38.487 0.091 0.000 1.526 506 N HN 0.008 nan 8.380 nan 0.000 0.515 507 E N 0.829 120.984 120.200 -0.075 0.000 2.106 507 E HA -0.143 4.207 4.350 0.001 0.000 0.192 507 E C 0.926 177.390 176.600 -0.225 0.000 0.984 507 E CA 1.269 57.543 56.400 -0.210 0.000 0.806 507 E CB 0.452 30.079 29.700 -0.122 0.000 0.750 507 E HN 0.566 nan 8.360 nan 0.000 0.458 508 E N 0.370 120.503 120.200 -0.110 0.000 2.058 508 E HA -0.204 4.147 4.350 0.001 0.000 0.194 508 E C 1.963 178.479 176.600 -0.139 0.000 0.997 508 E CA 1.038 57.385 56.400 -0.089 0.000 0.801 508 E CB -0.513 29.188 29.700 0.000 0.000 0.746 508 E HN 0.249 nan 8.360 nan 0.000 0.450 509 L N 0.494 121.633 121.223 -0.140 0.000 1.989 509 L HA -0.076 4.264 4.340 0.001 0.000 0.211 509 L C 2.312 178.998 176.870 -0.305 0.000 1.071 509 L CA 1.745 56.442 54.840 -0.239 0.000 0.749 509 L CB -0.663 41.289 42.059 -0.177 0.000 0.890 509 L HN 0.241 nan 8.230 nan 0.000 0.431 510 I N 0.078 120.426 120.570 -0.371 0.000 2.145 510 I HA -0.384 3.787 4.170 0.001 0.000 0.244 510 I C 2.128 177.966 176.117 -0.464 0.000 1.075 510 I CA 1.589 62.574 61.300 -0.524 0.000 1.332 510 I CB -0.560 36.914 38.000 -0.877 0.000 1.033 510 I HN 0.416 nan 8.210 nan 0.000 0.410 511 N N 0.719 119.181 118.700 -0.397 0.000 2.244 511 N HA -0.151 4.590 4.740 0.001 0.000 0.183 511 N C 1.738 177.134 175.510 -0.190 0.000 1.016 511 N CA 1.153 54.031 53.050 -0.287 0.000 0.866 511 N CB -0.169 38.185 38.487 -0.221 0.000 0.980 511 N HN 0.402 nan 8.380 nan 0.000 0.430 512 K N 0.320 120.626 120.400 -0.156 0.000 2.097 512 K HA 0.032 4.353 4.320 0.001 0.000 0.205 512 K C 1.758 178.346 176.600 -0.020 0.000 1.050 512 K CA 0.556 56.818 56.287 -0.043 0.000 0.938 512 K CB 0.119 32.641 32.500 0.036 0.000 0.718 512 K HN 0.088 nan 8.250 nan 0.000 0.442 513 I N 1.307 121.772 120.570 -0.175 0.000 2.252 513 I HA -0.227 3.944 4.170 0.001 0.000 0.245 513 I C 2.181 178.200 176.117 -0.164 0.000 1.102 513 I CA 1.408 62.569 61.300 -0.232 0.000 1.385 513 I CB -0.996 36.787 38.000 -0.363 0.000 1.064 513 I HN 0.167 nan 8.210 nan 0.000 0.414 514 L N 0.111 121.219 121.223 -0.192 0.000 2.083 514 L HA -0.242 4.098 4.340 0.001 0.000 0.209 514 L C 2.657 179.460 176.870 -0.112 0.000 1.083 514 L CA 1.154 55.897 54.840 -0.162 0.000 0.752 514 L CB -0.660 41.278 42.059 -0.201 0.000 0.899 514 L HN 0.258 nan 8.230 nan 0.000 0.433 515 Q N 0.413 120.157 119.800 -0.093 0.000 2.061 515 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 515 Q C 2.248 178.228 176.000 -0.033 0.000 0.984 515 Q CA 2.381 58.150 55.803 -0.057 0.000 0.846 515 Q CB -0.200 28.512 28.738 -0.044 0.000 0.902 515 Q HN 0.361 nan 8.270 nan 0.000 0.421 516 S N -0.420 115.274 115.700 -0.010 0.000 2.423 516 S HA -0.133 4.338 4.470 0.001 0.000 0.231 516 S C 1.911 176.492 174.600 -0.031 0.000 1.014 516 S CA 0.895 59.104 58.200 0.015 0.000 0.965 516 S CB -0.491 62.756 63.200 0.079 0.000 0.785 516 S HN 0.523 nan 8.310 nan 0.000 0.495 517 S N 1.699 117.359 115.700 -0.066 0.000 2.368 517 S HA -0.171 4.299 4.470 0.001 0.000 0.225 517 S C 2.039 176.582 174.600 -0.095 0.000 1.030 517 S CA 1.803 59.949 58.200 -0.090 0.000 0.999 517 S CB -0.298 62.847 63.200 -0.093 0.000 0.844 517 S HN 0.445 nan 8.310 nan 0.000 0.459 518 K N 0.495 120.848 120.400 -0.079 0.000 2.097 518 K HA -0.047 4.273 4.320 0.001 0.000 0.205 518 K C 2.394 178.958 176.600 -0.060 0.000 1.050 518 K CA 1.980 58.223 56.287 -0.074 0.000 0.938 518 K CB -1.490 30.976 32.500 -0.056 0.000 0.718 518 K HN 0.884 nan 8.250 nan 0.000 0.442 519 T N -1.833 112.703 114.554 -0.030 0.000 3.043 519 T HA -0.019 4.332 4.350 0.001 0.000 0.263 519 T C 2.007 176.724 174.700 0.028 0.000 1.094 519 T CA 1.229 63.330 62.100 0.002 0.000 1.127 519 T CB -0.275 68.607 68.868 0.023 0.000 0.905 519 T HN 0.464 nan 8.240 nan 0.000 0.490 520 S N 1.494 117.200 115.700 0.010 0.000 2.501 520 S HA 0.081 4.551 4.470 0.001 0.000 0.220 520 S C 1.047 175.622 174.600 -0.041 0.000 0.997 520 S CA 0.080 58.303 58.200 0.038 0.000 0.919 520 S CB -0.631 62.556 63.200 -0.020 0.000 0.778 520 S HN 0.526 nan 8.310 nan 0.000 0.523 521 N N 1.516 120.122 118.700 -0.157 0.000 2.741 521 N HA -0.130 4.611 4.740 0.001 0.000 0.250 521 N C -1.220 174.128 175.510 -0.270 0.000 1.115 521 N CA 0.976 53.819 53.050 -0.344 0.000 0.724 521 N CB -1.290 36.703 38.487 -0.823 0.000 1.090 521 N HN 0.722 nan 8.380 nan 0.000 0.558 522 E N 1.072 121.151 120.200 -0.202 0.000 2.073 522 E HA 0.246 4.596 4.350 0.001 0.000 0.269 522 E C -2.339 174.204 176.600 -0.094 0.000 0.917 522 E CA -1.550 54.707 56.400 -0.239 0.000 0.757 522 E CB 1.272 30.611 29.700 -0.602 0.000 1.111 522 E HN 0.115 nan 8.360 nan 0.000 0.410 523 P HA 0.111 nan 4.420 nan 0.000 0.281 523 P C -0.503 176.765 177.300 -0.053 0.000 1.252 523 P CA -0.181 62.785 63.100 -0.224 0.000 0.778 523 P CB 1.172 32.488 31.700 -0.641 0.000 0.895 524 V N 4.232 124.109 119.914 -0.062 0.000 2.823 524 V HA 0.482 4.602 4.120 0.001 0.000 0.312 524 V C -0.690 175.507 176.094 0.173 0.000 1.072 524 V CA -0.619 61.733 62.300 0.086 0.000 0.937 524 V CB 3.039 34.891 31.823 0.048 0.000 1.013 524 V HN 0.658 nan 8.190 nan 0.000 0.430 525 W N 3.396 124.726 121.300 0.049 0.000 2.739 525 W HA 0.393 5.054 4.660 0.000 0.000 0.331 525 W C -1.408 175.145 176.519 0.057 0.000 1.049 525 W CA -0.869 56.534 57.345 0.097 0.000 1.234 525 W CB 1.996 31.564 29.460 0.180 0.000 1.404 525 W HN 0.756 nan 8.180 nan 0.000 0.477 526 W N 7.671 128.697 121.300 -0.458 0.000 2.303 526 W HA 0.447 5.107 4.660 0.000 0.000 0.318 526 W C -1.303 175.063 176.519 -0.255 0.000 1.362 526 W CA -0.510 56.614 57.345 -0.368 0.000 1.234 526 W CB 0.080 29.311 29.460 -0.382 0.000 1.248 526 W HN 0.189 nan 8.180 nan 0.000 0.546 527 L N 9.082 130.147 121.223 -0.263 0.000 2.333 527 L HA 0.557 4.897 4.340 0.001 0.000 0.269 527 L C -1.781 174.876 176.870 -0.355 0.000 1.010 527 L CA -2.252 52.334 54.840 -0.423 0.000 0.818 527 L CB 2.394 44.091 42.059 -0.602 0.000 1.306 527 L HN 0.278 nan 8.230 nan 0.000 0.430 528 P HA 0.339 nan 4.420 nan 0.000 0.287 528 P C -1.040 176.455 177.300 0.324 0.000 1.270 528 P CA -0.412 62.685 63.100 -0.004 0.000 0.844 528 P CB 1.598 33.237 31.700 -0.101 0.000 1.068 529 I N 3.141 123.895 120.570 0.308 0.000 2.307 529 I HA 0.311 4.481 4.170 0.001 0.000 0.289 529 I C 0.482 176.683 176.117 0.140 0.000 1.021 529 I CA -0.637 60.844 61.300 0.303 0.000 1.224 529 I CB 0.568 38.770 38.000 0.337 0.000 1.376 529 I HN 0.122 nan 8.210 nan 0.000 0.470 530 I N 6.802 127.411 120.570 0.065 0.000 2.291 530 I HA 0.142 4.313 4.170 0.001 0.000 0.290 530 I C 1.230 177.236 176.117 -0.184 0.000 1.050 530 I CA -0.243 60.956 61.300 -0.170 0.000 1.245 530 I CB 0.536 38.229 38.000 -0.512 0.000 1.405 530 I HN 0.554 nan 8.210 nan 0.000 0.478 531 N N 4.298 122.942 118.700 -0.093 0.000 2.381 531 N HA -0.185 4.555 4.740 0.001 0.000 0.182 531 N C 1.566 177.040 175.510 -0.060 0.000 1.025 531 N CA 0.844 53.873 53.050 -0.036 0.000 0.888 531 N CB 0.120 38.606 38.487 -0.002 0.000 0.965 531 N HN 0.625 nan 8.380 nan 0.000 0.438 532 E N 0.356 120.462 120.200 -0.157 0.000 2.209 532 E HA -0.166 4.184 4.350 0.001 0.000 0.196 532 E C 0.917 177.528 176.600 0.019 0.000 0.993 532 E CA 0.906 57.243 56.400 -0.105 0.000 0.819 532 E CB -0.052 29.553 29.700 -0.158 0.000 0.745 532 E HN 0.562 nan 8.360 nan 0.000 0.477 533 Y N -0.955 119.375 120.300 0.049 0.000 2.561 533 Y HA -0.020 4.530 4.550 0.001 0.000 0.291 533 Y C 2.271 178.201 175.900 0.051 0.000 1.141 533 Y CA 0.014 58.143 58.100 0.049 0.000 1.303 533 Y CB 0.116 38.611 38.460 0.058 0.000 1.015 533 Y HN -0.012 nan 8.280 nan 0.000 0.547 534 R N 1.911 122.510 120.500 0.165 0.000 2.127 534 R HA -0.158 4.182 4.340 0.001 0.000 0.238 534 R C 2.120 178.478 176.300 0.098 0.000 1.134 534 R CA 1.492 57.664 56.100 0.120 0.000 0.975 534 R CB -0.768 29.575 30.300 0.072 0.000 0.865 534 R HN 0.222 nan 8.270 nan 0.000 0.447 535 A N -0.376 122.496 122.820 0.087 0.000 2.076 535 A HA -0.149 4.171 4.320 0.001 0.000 0.220 535 A C 2.029 179.655 177.584 0.070 0.000 1.160 535 A CA 1.896 53.973 52.037 0.066 0.000 0.653 535 A CB -1.116 17.917 19.000 0.056 0.000 0.801 535 A HN 0.639 nan 8.150 nan 0.000 0.455 536 T N -2.432 112.177 114.554 0.091 0.000 3.113 536 T HA 0.151 4.502 4.350 0.001 0.000 0.263 536 T C 1.224 175.969 174.700 0.075 0.000 1.143 536 T CA 0.806 62.948 62.100 0.071 0.000 1.090 536 T CB -0.367 68.536 68.868 0.058 0.000 0.922 536 T HN 0.338 nan 8.240 nan 0.000 0.521 537 L N 0.629 121.909 121.223 0.095 0.000 2.611 537 L HA 0.301 4.641 4.340 0.001 0.000 0.229 537 L C 0.215 177.141 176.870 0.092 0.000 1.137 537 L CA -0.433 54.476 54.840 0.115 0.000 0.901 537 L CB -0.365 41.791 42.059 0.163 0.000 1.098 537 L HN 0.149 nan 8.230 nan 0.000 0.456 538 N N 0.922 119.659 118.700 0.063 0.000 2.470 538 N HA 0.045 4.785 4.740 0.001 0.000 0.268 538 N C -0.121 175.415 175.510 0.042 0.000 1.136 538 N CA 0.270 53.345 53.050 0.042 0.000 0.961 538 N CB 1.453 39.954 38.487 0.023 0.000 1.067 538 N HN -0.081 nan 8.380 nan 0.000 0.468 539 S N 1.077 116.803 115.700 0.043 0.000 2.509 539 S HA 0.231 4.702 4.470 0.001 0.000 0.297 539 S C 1.157 175.756 174.600 -0.001 0.000 1.118 539 S CA -0.675 57.556 58.200 0.052 0.000 1.074 539 S CB 1.283 64.538 63.200 0.092 0.000 1.038 539 S HN 0.528 nan 8.310 nan 0.000 0.498 540 K N 3.229 123.611 120.400 -0.032 0.000 2.097 540 K HA 0.007 4.327 4.320 0.001 0.000 0.205 540 K C 0.677 177.047 176.600 -0.385 0.000 1.050 540 K CA 1.946 58.100 56.287 -0.221 0.000 0.938 540 K CB -0.280 32.054 32.500 -0.276 0.000 0.718 540 K HN 0.792 nan 8.250 nan 0.000 0.442 541 Y N -1.079 119.234 120.300 0.021 0.000 2.539 541 Y HA 0.438 4.988 4.550 0.001 0.000 0.284 541 Y C 0.915 176.831 175.900 0.027 0.000 1.134 541 Y CA 0.011 58.124 58.100 0.021 0.000 1.251 541 Y CB 0.052 38.523 38.460 0.018 0.000 1.260 541 Y HN 0.021 nan 8.280 nan 0.000 0.528 542 A N 0.148 123.070 122.820 0.170 0.000 2.242 542 A HA 0.237 4.557 4.320 0.001 0.000 0.304 542 A C 0.610 178.243 177.584 0.082 0.000 1.100 542 A CA -0.183 51.930 52.037 0.125 0.000 0.860 542 A CB 0.174 19.256 19.000 0.137 0.000 1.168 542 A HN 0.235 nan 8.150 nan 0.000 0.503 543 D N -0.692 119.750 120.400 0.070 0.000 2.144 543 D HA -0.014 4.627 4.640 0.001 0.000 0.199 543 D C 0.375 176.701 176.300 0.043 0.000 0.984 543 D CA 1.798 55.819 54.000 0.035 0.000 0.834 543 D CB 0.045 40.850 40.800 0.010 0.000 0.955 543 D HN 0.437 nan 8.370 nan 0.000 0.465 544 I N -0.481 120.147 120.570 0.096 0.000 2.918 544 I HA 0.137 4.307 4.170 0.001 0.000 0.301 544 I C -1.447 174.791 176.117 0.201 0.000 1.312 544 I CA -0.793 60.584 61.300 0.129 0.000 1.007 544 I CB 2.004 40.064 38.000 0.100 0.000 1.281 544 I HN -0.330 nan 8.210 nan 0.000 0.440 545 N N 4.669 123.487 118.700 0.198 0.000 2.524 545 N HA 0.153 4.893 4.740 0.001 0.000 0.283 545 N C 0.241 175.911 175.510 0.267 0.000 1.142 545 N CA -0.250 52.912 53.050 0.187 0.000 0.984 545 N CB 1.620 40.178 38.487 0.119 0.000 1.155 545 N HN 0.664 nan 8.380 nan 0.000 0.467 546 Q N 1.547 121.418 119.800 0.118 0.000 2.119 546 Q HA -0.038 4.302 4.340 0.001 0.000 0.201 546 Q C 0.211 176.074 176.000 -0.229 0.000 0.972 546 Q CA 1.121 56.798 55.803 -0.210 0.000 0.847 546 Q CB 0.171 28.797 28.738 -0.187 0.000 0.903 546 Q HN 0.744 nan 8.270 nan 0.000 0.433 547 I N -3.092 117.438 120.570 -0.066 0.000 2.934 547 I HA 0.490 4.660 4.170 0.001 0.000 0.306 547 I C -0.587 175.531 176.117 0.002 0.000 1.110 547 I CA -1.238 60.031 61.300 -0.052 0.000 1.019 547 I CB 2.156 40.119 38.000 -0.061 0.000 1.227 547 I HN -0.230 nan 8.210 nan 0.000 0.434 548 S N 1.279 116.976 115.700 -0.004 0.000 2.537 548 S HA 0.281 4.751 4.470 0.001 0.000 0.275 548 S C 1.010 175.601 174.600 -0.016 0.000 1.272 548 S CA 0.017 58.218 58.200 0.000 0.000 1.050 548 S CB 0.942 64.130 63.200 -0.020 0.000 0.961 548 S HN 0.840 nan 8.310 nan 0.000 0.496 549 S N 2.760 118.456 115.700 -0.008 0.000 2.524 549 S HA 0.005 4.476 4.470 0.001 0.000 0.216 549 S C 1.484 176.067 174.600 -0.028 0.000 0.987 549 S CA 0.582 58.772 58.200 -0.017 0.000 0.909 549 S CB -0.163 63.033 63.200 -0.006 0.000 0.781 549 S HN 0.772 nan 8.310 nan 0.000 0.521 550 S N 0.278 115.958 115.700 -0.033 0.000 2.527 550 S HA 0.315 4.786 4.470 0.001 0.000 0.227 550 S C 0.367 174.914 174.600 -0.087 0.000 1.059 550 S CA -0.226 57.946 58.200 -0.046 0.000 0.919 550 S CB -0.321 62.863 63.200 -0.027 0.000 0.805 550 S HN 0.231 nan 8.310 nan 0.000 0.500 551 V N 3.637 123.475 119.914 -0.128 0.000 2.461 551 V HA 0.350 4.470 4.120 0.001 0.000 0.275 551 V C 0.615 176.596 176.094 -0.189 0.000 1.047 551 V CA -0.452 61.702 62.300 -0.243 0.000 0.955 551 V CB 1.416 32.979 31.823 -0.432 0.000 0.988 551 V HN 0.284 nan 8.190 nan 0.000 0.471 552 K N 3.228 123.521 120.400 -0.178 0.000 2.404 552 K HA 0.229 4.549 4.320 0.001 0.000 0.194 552 K C 0.980 177.517 176.600 -0.105 0.000 1.023 552 K CA 0.365 56.578 56.287 -0.125 0.000 1.094 552 K CB 0.312 32.747 32.500 -0.109 0.000 0.841 552 K HN 0.662 nan 8.250 nan 0.000 0.523 553 A N 2.255 124.992 122.820 -0.137 0.000 3.037 553 A HA 0.126 4.446 4.320 0.001 0.000 0.272 553 A C 1.336 178.918 177.584 -0.004 0.000 1.723 553 A CA -0.129 51.884 52.037 -0.040 0.000 1.413 553 A CB -0.463 18.524 19.000 -0.022 0.000 1.112 553 A HN 0.237 nan 8.150 nan 0.000 0.606 554 S N 0.277 115.978 115.700 0.002 0.000 2.428 554 S HA -0.117 4.354 4.470 0.001 0.000 0.230 554 S C 1.708 176.326 174.600 0.029 0.000 1.014 554 S CA 1.353 59.554 58.200 0.002 0.000 0.957 554 S CB -0.275 62.920 63.200 -0.008 0.000 0.784 554 S HN 0.546 nan 8.310 nan 0.000 0.499 555 S N 2.109 117.854 115.700 0.074 0.000 2.402 555 S HA 0.127 4.597 4.470 0.001 0.000 0.229 555 S C 1.705 176.229 174.600 -0.128 0.000 1.021 555 S CA 1.202 59.434 58.200 0.053 0.000 0.974 555 S CB -0.472 62.873 63.200 0.241 0.000 0.800 555 S HN 0.535 nan 8.310 nan 0.000 0.484 556 I N 0.963 121.560 120.570 0.045 0.000 2.333 556 I HA -0.088 4.082 4.170 0.001 0.000 0.246 556 I C 2.124 178.294 176.117 0.089 0.000 1.106 556 I CA 0.748 62.104 61.300 0.094 0.000 1.411 556 I CB -0.400 37.807 38.000 0.344 0.000 1.082 556 I HN 0.143 nan 8.210 nan 0.000 0.420 557 V N 1.237 121.208 119.914 0.094 0.000 2.343 557 V HA -0.274 3.847 4.120 0.001 0.000 0.247 557 V C 2.775 178.926 176.094 0.095 0.000 1.051 557 V CA 1.948 64.313 62.300 0.108 0.000 1.036 557 V CB -1.058 30.796 31.823 0.051 0.000 0.654 557 V HN 0.473 nan 8.190 nan 0.000 0.451 558 A N -0.172 122.664 122.820 0.026 0.000 1.908 558 A HA -0.232 4.088 4.320 0.001 0.000 0.218 558 A C 2.484 180.095 177.584 0.045 0.000 1.181 558 A CA 2.386 54.435 52.037 0.020 0.000 0.627 558 A CB -0.735 18.247 19.000 -0.030 0.000 0.818 558 A HN 0.518 nan 8.150 nan 0.000 0.445 559 S N -0.261 115.408 115.700 -0.053 0.000 2.382 559 S HA -0.074 4.397 4.470 0.001 0.000 0.228 559 S C 1.781 176.516 174.600 0.226 0.000 1.027 559 S CA 1.365 59.594 58.200 0.049 0.000 0.991 559 S CB -0.420 62.697 63.200 -0.138 0.000 0.823 559 S HN 0.504 nan 8.310 nan 0.000 0.469 560 L N -0.071 121.264 121.223 0.186 0.000 2.083 560 L HA -0.086 4.254 4.340 0.001 0.000 0.209 560 L C 2.169 179.134 176.870 0.159 0.000 1.083 560 L CA 1.204 56.153 54.840 0.181 0.000 0.752 560 L CB -0.420 41.747 42.059 0.180 0.000 0.899 560 L HN 0.280 nan 8.230 nan 0.000 0.433 561 F N 0.501 120.491 119.950 0.067 0.000 2.084 561 F HA -0.217 4.310 4.527 0.001 0.000 0.296 561 F C 2.201 178.086 175.800 0.141 0.000 1.111 561 F CA 1.526 59.588 58.000 0.103 0.000 1.224 561 F CB -0.120 38.934 39.000 0.090 0.000 0.991 561 F HN -0.144 nan 8.300 nan 0.000 0.471 562 L N 0.449 121.805 121.223 0.222 0.000 2.079 562 L HA -0.259 4.082 4.340 0.001 0.000 0.210 562 L C 2.500 179.155 176.870 -0.359 0.000 1.081 562 L CA 1.815 56.657 54.840 0.002 0.000 0.752 562 L CB -0.817 41.246 42.059 0.007 0.000 0.896 562 L HN 0.172 nan 8.230 nan 0.000 0.433 563 K N 0.210 120.393 120.400 -0.362 0.000 2.209 563 K HA -0.169 4.151 4.320 0.001 0.000 0.204 563 K C 1.762 178.133 176.600 -0.380 0.000 1.048 563 K CA 0.976 56.963 56.287 -0.500 0.000 0.940 563 K CB 0.126 32.604 32.500 -0.036 0.000 0.729 563 K HN 0.234 nan 8.250 nan 0.000 0.451 564 E N -0.251 119.723 120.200 -0.378 0.000 2.463 564 E HA -0.154 4.196 4.350 0.001 0.000 0.201 564 E C 0.549 176.623 176.600 -0.877 0.000 1.045 564 E CA 0.842 56.885 56.400 -0.595 0.000 0.872 564 E CB 0.028 29.261 29.700 -0.778 0.000 0.797 564 E HN 0.390 nan 8.360 nan 0.000 0.538 565 F N -0.367 119.343 119.950 -0.400 0.000 2.654 565 F HA 0.139 4.666 4.527 0.001 0.000 0.303 565 F C 0.299 175.914 175.800 -0.309 0.000 1.099 565 F CA -0.172 57.635 58.000 -0.321 0.000 1.270 565 F CB 0.963 39.783 39.000 -0.300 0.000 1.024 565 F HN -0.317 nan 8.300 nan 0.000 0.548 566 V N 0.030 119.772 119.914 -0.287 0.000 2.407 566 V HA 0.157 4.277 4.120 0.001 0.000 0.291 566 V C 0.356 176.358 176.094 -0.153 0.000 1.018 566 V CA -0.306 61.860 62.300 -0.222 0.000 0.842 566 V CB 1.391 33.017 31.823 -0.328 0.000 0.996 566 V HN 0.046 nan 8.190 nan 0.000 0.426 567 Q N 1.976 121.717 119.800 -0.099 0.000 2.134 567 Q HA 0.137 4.478 4.340 0.001 0.000 0.195 567 Q C 1.181 177.159 176.000 -0.036 0.000 0.958 567 Q CA 1.016 56.770 55.803 -0.081 0.000 0.840 567 Q CB 0.140 28.834 28.738 -0.074 0.000 0.918 567 Q HN 0.799 nan 8.270 nan 0.000 0.467 568 N N -0.139 118.554 118.700 -0.011 0.000 2.527 568 N HA 0.138 4.879 4.740 0.001 0.000 0.279 568 N C -1.478 174.053 175.510 0.036 0.000 1.571 568 N CA 0.190 53.247 53.050 0.012 0.000 0.858 568 N CB 1.492 39.978 38.487 -0.003 0.000 1.422 568 N HN 0.213 nan 8.380 nan 0.000 0.491 569 T N 0.021 114.616 114.554 0.068 0.000 2.893 569 T HA 0.528 4.878 4.350 0.001 0.000 0.293 569 T C -0.139 174.675 174.700 0.191 0.000 1.027 569 T CA -0.458 61.704 62.100 0.103 0.000 0.988 569 T CB 2.188 71.115 68.868 0.097 0.000 1.043 569 T HN 0.205 nan 8.240 nan 0.000 0.461 570 A N 2.407 125.352 122.820 0.208 0.000 2.522 570 A HA 0.447 4.767 4.320 0.001 0.000 0.256 570 A C -0.773 177.039 177.584 0.380 0.000 1.086 570 A CA -0.121 52.090 52.037 0.291 0.000 0.763 570 A CB -0.369 18.842 19.000 0.352 0.000 1.024 570 A HN 0.839 nan 8.150 nan 0.000 0.502 571 W N 2.602 123.983 121.300 0.135 0.000 3.022 571 W HA 0.631 5.291 4.660 0.001 0.000 0.335 571 W C -0.602 175.976 176.519 0.098 0.000 1.133 571 W CA -0.026 57.391 57.345 0.120 0.000 1.219 571 W CB 1.450 30.977 29.460 0.111 0.000 1.409 571 W HN 0.942 nan 8.180 nan 0.000 0.507 572 A N 3.587 125.956 122.820 -0.751 0.000 2.515 572 A HA 0.676 4.997 4.320 0.001 0.000 0.296 572 A C -2.244 174.873 177.584 -0.779 0.000 1.094 572 A CA -0.673 50.834 52.037 -0.883 0.000 0.718 572 A CB 1.682 20.399 19.000 -0.472 0.000 1.307 572 A HN 0.935 nan 8.150 nan 0.000 0.408 573 H N 0.421 119.125 119.070 -0.610 0.000 2.840 573 H HA 0.671 5.227 4.556 0.001 0.000 0.340 573 H C -1.752 173.593 175.328 0.029 0.000 1.004 573 H CA -0.640 55.300 56.048 -0.179 0.000 1.288 573 H CB 0.754 30.494 29.762 -0.037 0.000 1.607 573 H HN 0.477 nan 8.280 nan 0.000 0.522 574 I N 4.542 124.953 120.570 -0.266 0.000 2.354 574 I HA 0.157 4.327 4.170 0.001 0.000 0.286 574 I C -0.284 175.675 176.117 -0.262 0.000 1.007 574 I CA -0.649 60.525 61.300 -0.209 0.000 1.167 574 I CB 1.154 39.114 38.000 -0.066 0.000 1.320 574 I HN 0.584 nan 8.210 nan 0.000 0.458 575 D N 7.734 128.002 120.400 -0.220 0.000 2.339 575 D HA 0.229 4.870 4.640 0.001 0.000 0.241 575 D C 0.624 176.904 176.300 -0.034 0.000 1.183 575 D CA -0.215 53.739 54.000 -0.077 0.000 0.859 575 D CB 1.063 41.932 40.800 0.115 0.000 1.067 575 D HN 0.565 nan 8.370 nan 0.000 0.484 576 I N 0.853 121.387 120.570 -0.060 0.000 3.914 576 I HA 0.330 4.501 4.170 0.001 0.000 0.333 576 I C 1.563 177.638 176.117 -0.070 0.000 1.449 576 I CA -0.578 60.634 61.300 -0.146 0.000 1.135 576 I CB 0.559 38.464 38.000 -0.159 0.000 1.073 576 I HN 0.187 nan 8.210 nan 0.000 0.401 577 A N 1.863 124.692 122.820 0.015 0.000 1.978 577 A HA -0.035 4.285 4.320 0.001 0.000 0.220 577 A C 2.269 180.005 177.584 0.253 0.000 1.170 577 A CA 1.992 54.108 52.037 0.131 0.000 0.636 577 A CB -1.067 18.030 19.000 0.161 0.000 0.810 577 A HN 0.573 nan 8.150 nan 0.000 0.448 578 G N -0.969 107.922 108.800 0.152 0.000 2.539 578 G HA2 0.116 4.076 3.960 0.001 0.000 0.215 578 G HA3 0.116 4.076 3.960 0.001 0.000 0.215 578 G C 1.375 176.383 174.900 0.180 0.000 1.141 578 G CA 1.193 46.401 45.100 0.181 0.000 0.806 578 G HN 0.970 nan 8.290 nan 0.000 0.533 579 V N -1.979 117.942 119.914 0.012 0.000 3.590 579 V HA 0.190 4.310 4.120 0.001 0.000 0.265 579 V C 2.379 178.477 176.094 0.007 0.000 1.239 579 V CA 1.554 63.805 62.300 -0.083 0.000 1.117 579 V CB 0.303 31.805 31.823 -0.536 0.000 0.818 579 V HN 0.236 nan 8.190 nan 0.000 0.451 580 S N -0.427 115.340 115.700 0.111 0.000 2.368 580 S HA -0.107 4.363 4.470 0.001 0.000 0.224 580 S C 0.688 175.467 174.600 0.299 0.000 1.029 580 S CA 0.496 58.815 58.200 0.198 0.000 0.988 580 S CB -0.243 63.058 63.200 0.168 0.000 0.838 580 S HN 0.810 nan 8.310 nan 0.000 0.462 581 W N 3.006 124.366 121.300 0.099 0.000 2.390 581 W HA 0.400 5.060 4.660 0.001 0.000 0.312 581 W C -0.446 175.883 176.519 -0.316 0.000 1.123 581 W CA -0.862 56.360 57.345 -0.204 0.000 1.202 581 W CB 0.658 29.748 29.460 -0.616 0.000 1.251 581 W HN 0.149 nan 8.180 nan 0.000 0.511 582 N N 5.611 123.936 118.700 -0.626 0.000 2.555 582 N HA 0.017 4.757 4.740 0.001 0.000 0.244 582 N C 0.692 175.966 175.510 -0.393 0.000 1.114 582 N CA 0.008 52.850 53.050 -0.347 0.000 0.963 582 N CB -0.205 38.131 38.487 -0.252 0.000 1.276 582 N HN 0.295 nan 8.380 nan 0.000 0.510 583 F N 1.587 121.598 119.950 0.102 0.000 2.161 583 F HA -0.212 4.316 4.527 0.000 0.000 0.300 583 F C 2.325 178.183 175.800 0.098 0.000 1.089 583 F CA 0.903 59.028 58.000 0.209 0.000 1.282 583 F CB -0.126 38.982 39.000 0.180 0.000 1.010 583 F HN 0.306 nan 8.300 nan 0.000 0.485 584 K N -0.046 120.482 120.400 0.213 0.000 2.001 584 K HA 0.032 4.353 4.320 0.001 0.000 0.208 584 K C 2.253 178.893 176.600 0.067 0.000 1.048 584 K CA 1.011 57.374 56.287 0.125 0.000 0.932 584 K CB -1.233 31.326 32.500 0.097 0.000 0.715 584 K HN 0.352 nan 8.250 nan 0.000 0.437 585 A N -0.129 122.696 122.820 0.008 0.000 2.218 585 A HA 0.186 4.506 4.320 0.001 0.000 0.209 585 A C 0.596 178.133 177.584 -0.080 0.000 1.168 585 A CA 0.459 52.478 52.037 -0.031 0.000 0.804 585 A CB -0.290 18.684 19.000 -0.043 0.000 0.834 585 A HN 0.522 nan 8.150 nan 0.000 0.482 586 R N -0.983 119.458 120.500 -0.099 0.000 3.332 586 R HA -0.183 4.158 4.340 0.001 0.000 0.263 586 R C -0.370 175.770 176.300 -0.266 0.000 1.053 586 R CA 1.406 57.500 56.100 -0.009 0.000 0.705 586 R CB -2.305 28.076 30.300 0.134 0.000 1.166 586 R HN 0.843 nan 8.270 nan 0.000 0.427 587 K N -2.746 117.079 120.400 -0.958 0.000 2.607 587 K HA 0.592 4.912 4.320 0.001 0.000 0.287 587 K C -3.278 172.449 176.600 -1.454 0.000 0.996 587 K CA -2.374 53.264 56.287 -1.083 0.000 0.876 587 K CB 2.285 34.545 32.500 -0.400 0.000 1.496 587 K HN -0.272 nan 8.250 nan 0.000 0.415 588 P HA 0.159 nan 4.420 nan 0.000 0.272 588 P C -0.457 176.787 177.300 -0.093 0.000 1.230 588 P CA -0.478 62.404 63.100 -0.363 0.000 0.788 588 P CB 0.617 32.294 31.700 -0.037 0.000 0.949 589 K N 1.002 121.402 120.400 -0.000 0.000 2.356 589 K HA 0.123 4.443 4.320 0.001 0.000 0.195 589 K C 1.164 177.729 176.600 -0.059 0.000 1.037 589 K CA 0.593 56.905 56.287 0.043 0.000 1.014 589 K CB -0.362 32.211 32.500 0.121 0.000 0.815 589 K HN 0.811 nan 8.250 nan 0.000 0.507 590 G N 2.494 111.301 108.800 0.011 0.000 2.283 590 G HA2 -0.304 3.657 3.960 0.001 0.000 0.280 590 G HA3 -0.304 3.657 3.960 0.001 0.000 0.280 590 G C -0.061 174.824 174.900 -0.025 0.000 1.029 590 G CA -0.045 45.028 45.100 -0.045 0.000 0.840 590 G HN 0.361 nan 8.290 nan 0.000 0.505 591 F N 0.436 120.345 119.950 -0.068 0.000 2.607 591 F HA 0.383 4.910 4.527 0.000 0.000 0.374 591 F C 1.588 177.362 175.800 -0.044 0.000 1.104 591 F CA 1.911 59.884 58.000 -0.045 0.000 1.296 591 F CB 0.646 39.647 39.000 0.001 0.000 1.085 591 F HN 0.859 nan 8.300 nan 0.000 0.584 592 G N 3.114 111.675 108.800 -0.398 0.000 2.339 592 G HA2 -0.289 3.672 3.960 0.001 0.000 0.209 592 G HA3 -0.289 3.672 3.960 0.001 0.000 0.209 592 G C 0.797 175.596 174.900 -0.168 0.000 1.015 592 G CA -0.013 44.988 45.100 -0.166 0.000 0.635 592 G HN 0.658 nan 8.290 nan 0.000 0.499 593 V N 1.398 121.213 119.914 -0.165 0.000 2.287 593 V HA -0.178 3.942 4.120 0.001 0.000 0.248 593 V C 2.865 178.804 176.094 -0.259 0.000 1.053 593 V CA 2.914 65.123 62.300 -0.152 0.000 1.027 593 V CB -0.546 31.193 31.823 -0.141 0.000 0.646 593 V HN 0.496 nan 8.190 nan 0.000 0.447 594 R N -0.752 119.547 120.500 -0.334 0.000 2.090 594 R HA -0.049 4.292 4.340 0.001 0.000 0.228 594 R C 2.222 178.378 176.300 -0.240 0.000 1.110 594 R CA 1.153 56.995 56.100 -0.430 0.000 0.973 594 R CB -0.507 29.635 30.300 -0.264 0.000 0.869 594 R HN 0.403 nan 8.270 nan 0.000 0.440 595 L N 1.318 122.407 121.223 -0.223 0.000 1.990 595 L HA -0.190 4.150 4.340 0.001 0.000 0.213 595 L C 1.918 178.757 176.870 -0.051 0.000 1.072 595 L CA 1.808 56.560 54.840 -0.147 0.000 0.755 595 L CB -0.452 41.476 42.059 -0.218 0.000 0.889 595 L HN 0.130 nan 8.230 nan 0.000 0.432 596 L N -1.234 119.959 121.223 -0.049 0.000 2.046 596 L HA -0.197 4.144 4.340 0.001 0.000 0.208 596 L C 2.369 179.306 176.870 0.112 0.000 1.077 596 L CA 1.713 56.591 54.840 0.064 0.000 0.747 596 L CB -1.129 40.971 42.059 0.068 0.000 0.896 596 L HN 0.330 nan 8.230 nan 0.000 0.432 597 T N -1.006 113.536 114.554 -0.020 0.000 2.708 597 T HA -0.159 4.191 4.350 0.001 0.000 0.266 597 T C 1.787 176.524 174.700 0.062 0.000 1.037 597 T CA 1.111 63.197 62.100 -0.023 0.000 1.146 597 T CB -0.157 68.566 68.868 -0.240 0.000 0.865 597 T HN 0.278 nan 8.240 nan 0.000 0.435 598 E N 0.716 120.962 120.200 0.076 0.000 2.097 598 E HA -0.127 4.224 4.350 0.001 0.000 0.196 598 E C 1.896 178.558 176.600 0.104 0.000 1.000 598 E CA 0.959 57.436 56.400 0.127 0.000 0.804 598 E CB -0.510 29.263 29.700 0.122 0.000 0.740 598 E HN 0.539 nan 8.360 nan 0.000 0.454 599 F N 1.497 121.429 119.950 -0.030 0.000 2.095 599 F HA -0.225 4.302 4.527 0.000 0.000 0.298 599 F C 2.261 178.047 175.800 -0.023 0.000 1.104 599 F CA 1.144 59.114 58.000 -0.050 0.000 1.232 599 F CB -0.392 38.564 39.000 -0.073 0.000 0.987 599 F HN -0.204 nan 8.300 nan 0.000 0.475 600 V N 0.083 119.942 119.914 -0.092 0.000 2.295 600 V HA -0.274 3.846 4.120 0.001 0.000 0.246 600 V C 2.388 178.400 176.094 -0.137 0.000 1.049 600 V CA 1.631 63.828 62.300 -0.171 0.000 1.024 600 V CB -0.707 31.119 31.823 0.005 0.000 0.648 600 V HN 0.298 nan 8.190 nan 0.000 0.447 601 L N 0.978 122.171 121.223 -0.049 0.000 2.109 601 L HA -0.063 4.278 4.340 0.001 0.000 0.207 601 L C 2.644 179.487 176.870 -0.045 0.000 1.086 601 L CA 2.184 57.012 54.840 -0.021 0.000 0.760 601 L CB -1.818 40.267 42.059 0.045 0.000 0.910 601 L HN 0.547 nan 8.230 nan 0.000 0.437 602 N N -0.827 117.836 118.700 -0.062 0.000 2.069 602 N HA -0.166 4.575 4.740 0.001 0.000 0.191 602 N C 1.169 176.614 175.510 -0.109 0.000 1.031 602 N CA 1.705 54.711 53.050 -0.074 0.000 0.852 602 N CB -0.781 37.667 38.487 -0.065 0.000 1.018 602 N HN 0.399 nan 8.380 nan 0.000 0.423 603 D N 0.000 120.280 120.400 -0.200 0.000 6.856 603 D HA 0.000 4.640 4.640 0.001 0.000 0.175 603 D CA 0.000 53.900 54.000 -0.167 0.000 0.868 603 D CB 0.000 40.637 40.800 -0.272 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683