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 2vcy_1_B DATA FIRST_RESID 42 DATA SEQUENCE RVRALVYGHH GDPAKVVELK NLELAAVRGS DVRVKMLAAP INPSDINMIQ DATA SEQUENCE GNYGLLPELP AVGGNEGVAQ VVAVGSNVTG LKPGDWVIPA NAGLGTWRTE DATA SEQUENCE AVFSEEALIQ VPSDIPLQSA ATLGVNPCTA YRMLMDFEQL QPGDSVIQNA DATA SEQUENCE SNSGVGQAVI QIAAALGLRT INVVRDRPDI QKLSDRLKSL GAEHVITEEE DATA SEQUENCE LRRPEMKNFF KDMPQPRLAL NCVGGKSSTE LLRQLARGGT MVTYGGMAKQ DATA SEQUENCE PVVASVSLLI FKDLKLRGFW LSQWKKDHSP DQFKELILTL CDLIRRGQLT DATA SEQUENCE APACSQVPLQ DYQSALEASM KPFISSKQIL TM 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 42 R HA 0.000 nan 4.340 nan 0.000 0.208 42 R C 0.000 176.295 176.300 -0.009 0.000 0.893 42 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 42 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 43 V N 4.828 124.734 119.914 -0.013 0.000 2.372 43 V HA 0.386 4.506 4.120 -0.000 0.000 0.261 43 V C 0.593 176.679 176.094 -0.014 0.000 1.055 43 V CA -0.127 62.162 62.300 -0.017 0.000 0.930 43 V CB 0.797 32.604 31.823 -0.028 0.000 1.031 43 V HN 0.430 nan 8.190 nan 0.000 0.479 44 R N 3.236 123.729 120.500 -0.011 0.000 2.428 44 R HA 0.826 5.166 4.340 -0.000 0.000 0.294 44 R C -0.284 176.013 176.300 -0.006 0.000 1.000 44 R CA -0.052 56.041 56.100 -0.013 0.000 0.960 44 R CB 1.794 32.085 30.300 -0.015 0.000 1.076 44 R HN 0.811 nan 8.270 nan 0.000 0.475 45 A N 2.745 125.557 122.820 -0.013 0.000 2.556 45 A HA 0.516 4.836 4.320 -0.000 0.000 0.294 45 A C -1.394 176.181 177.584 -0.014 0.000 1.091 45 A CA -0.726 51.320 52.037 0.014 0.000 0.704 45 A CB 1.397 20.413 19.000 0.027 0.000 1.300 45 A HN 0.590 nan 8.150 nan 0.000 0.406 46 L N 2.506 123.760 121.223 0.052 0.000 2.287 46 L HA 0.495 4.835 4.340 -0.000 0.000 0.280 46 L C -0.169 176.799 176.870 0.165 0.000 1.055 46 L CA -0.577 54.287 54.840 0.040 0.000 0.863 46 L CB 0.872 43.034 42.059 0.172 0.000 1.245 46 L HN 0.652 nan 8.230 nan 0.000 0.432 47 V N 3.651 123.634 119.914 0.116 0.000 2.919 47 V HA 0.652 4.772 4.120 -0.000 0.000 0.316 47 V C -1.311 174.927 176.094 0.239 0.000 1.077 47 V CA -0.447 61.949 62.300 0.160 0.000 0.977 47 V CB 2.089 33.929 31.823 0.028 0.000 1.039 47 V HN 0.521 nan 8.190 nan 0.000 0.441 48 Y N 2.280 122.580 120.300 0.001 0.000 2.373 48 Y HA 0.869 5.419 4.550 -0.000 0.000 0.336 48 Y C 0.556 176.402 175.900 -0.090 0.000 0.979 48 Y CA -0.893 57.207 58.100 -0.001 0.000 1.080 48 Y CB 1.519 40.004 38.460 0.042 0.000 1.190 48 Y HN 0.684 nan 8.280 nan 0.000 0.446 49 G N 1.857 110.581 108.800 -0.128 0.000 2.662 49 G HA2 0.057 4.017 3.960 -0.000 0.000 0.212 49 G HA3 0.057 4.017 3.960 -0.000 0.000 0.212 49 G C 0.139 174.676 174.900 -0.605 0.000 1.141 49 G CA 0.146 45.013 45.100 -0.389 0.000 0.797 49 G HN 0.667 nan 8.290 nan 0.000 0.531 50 H N -1.039 118.013 119.070 -0.031 0.000 2.797 50 H HA 0.373 4.929 4.556 -0.000 0.000 0.372 50 H C -0.969 174.411 175.328 0.087 0.000 1.168 50 H CA -0.758 55.281 56.048 -0.014 0.000 1.163 50 H CB 1.351 31.138 29.762 0.042 0.000 1.778 50 H HN 0.168 nan 8.280 nan 0.000 0.551 51 H N -0.394 118.845 119.070 0.282 0.000 2.525 51 H HA 0.503 5.059 4.556 -0.000 0.000 0.339 51 H C 0.599 176.032 175.328 0.174 0.000 1.109 51 H CA 0.533 56.731 56.048 0.250 0.000 1.352 51 H CB 1.275 31.148 29.762 0.184 0.000 1.461 51 H HN 0.913 nan 8.280 nan 0.000 0.533 52 G N 1.743 110.705 108.800 0.270 0.000 2.343 52 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.289 52 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.289 52 G C -1.400 173.559 174.900 0.099 0.000 1.295 52 G CA -0.998 44.193 45.100 0.151 0.000 0.869 52 G HN 0.716 nan 8.290 nan 0.000 0.522 53 D N 0.767 121.210 120.400 0.071 0.000 2.554 53 D HA 0.270 4.910 4.640 -0.000 0.000 0.251 53 D C -0.586 175.751 176.300 0.062 0.000 1.213 53 D CA -0.376 53.656 54.000 0.052 0.000 0.900 53 D CB 1.095 41.919 40.800 0.040 0.000 1.135 53 D HN 0.041 nan 8.370 nan 0.000 0.522 54 P HA -0.281 nan 4.420 nan 0.000 0.216 54 P C 1.031 178.391 177.300 0.100 0.000 1.167 54 P CA 2.254 65.398 63.100 0.074 0.000 0.914 54 P CB -0.075 31.674 31.700 0.082 0.000 0.793 55 A N -1.615 121.241 122.820 0.061 0.000 2.285 55 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 55 A C 2.073 179.685 177.584 0.048 0.000 1.188 55 A CA 1.563 53.618 52.037 0.031 0.000 0.707 55 A CB -0.831 18.166 19.000 -0.004 0.000 0.771 55 A HN 0.167 nan 8.150 nan 0.000 0.488 56 K N -1.483 118.963 120.400 0.077 0.000 2.412 56 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 56 K C 1.782 178.457 176.600 0.126 0.000 1.275 56 K CA 1.113 57.450 56.287 0.083 0.000 0.910 56 K CB 0.225 32.763 32.500 0.063 0.000 1.346 56 K HN 0.352 nan 8.250 nan 0.000 0.490 57 V N 0.842 120.845 119.914 0.149 0.000 2.453 57 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 57 V C 1.350 177.588 176.094 0.240 0.000 1.048 57 V CA 0.432 62.855 62.300 0.205 0.000 1.049 57 V CB -0.599 31.365 31.823 0.236 0.000 0.672 57 V HN -0.188 nan 8.190 nan 0.000 0.457 58 V N 3.343 123.400 119.914 0.239 0.000 2.555 58 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 58 V C 0.056 176.338 176.094 0.313 0.000 1.044 58 V CA -0.007 62.465 62.300 0.287 0.000 1.026 58 V CB 0.366 32.387 31.823 0.331 0.000 0.981 58 V HN 0.843 nan 8.190 nan 0.000 0.480 59 E N 4.703 125.017 120.200 0.189 0.000 2.366 59 E HA 0.512 4.862 4.350 -0.000 0.000 0.278 59 E C -1.428 175.132 176.600 -0.066 0.000 0.923 59 E CA -1.025 55.459 56.400 0.140 0.000 0.761 59 E CB 2.024 31.813 29.700 0.147 0.000 1.231 59 E HN 0.492 nan 8.360 nan 0.000 0.443 60 L N 2.820 123.946 121.223 -0.162 0.000 2.410 60 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 60 L C -0.269 176.566 176.870 -0.058 0.000 1.144 60 L CA 0.348 55.070 54.840 -0.197 0.000 0.863 60 L CB 0.295 42.245 42.059 -0.182 0.000 1.140 60 L HN 0.475 nan 8.230 nan 0.000 0.463 61 K N 3.807 124.177 120.400 -0.048 0.000 2.375 61 K HA 0.401 4.721 4.320 -0.000 0.000 0.249 61 K C -1.124 175.466 176.600 -0.017 0.000 0.942 61 K CA -0.958 55.318 56.287 -0.018 0.000 0.806 61 K CB 2.007 34.501 32.500 -0.010 0.000 1.227 61 K HN 0.522 nan 8.250 nan 0.000 0.430 62 N N 2.207 120.901 118.700 -0.011 0.000 2.479 62 N HA 0.359 5.099 4.740 -0.000 0.000 0.285 62 N C -0.800 174.702 175.510 -0.013 0.000 1.075 62 N CA -0.413 52.631 53.050 -0.011 0.000 0.967 62 N CB 0.994 39.477 38.487 -0.006 0.000 1.137 62 N HN 0.179 nan 8.380 nan 0.000 0.472 63 L N 1.296 122.510 121.223 -0.015 0.000 2.371 63 L HA 0.350 4.690 4.340 -0.000 0.000 0.262 63 L C 0.115 176.971 176.870 -0.022 0.000 1.006 63 L CA -0.661 54.167 54.840 -0.019 0.000 0.818 63 L CB 1.654 43.700 42.059 -0.021 0.000 1.354 63 L HN 0.423 nan 8.230 nan 0.000 0.415 64 E N 0.854 121.040 120.200 -0.023 0.000 2.167 64 E HA 0.394 4.744 4.350 -0.000 0.000 0.284 64 E C -0.859 175.721 176.600 -0.033 0.000 1.016 64 E CA -0.570 55.816 56.400 -0.024 0.000 0.817 64 E CB 1.054 30.742 29.700 -0.020 0.000 1.080 64 E HN 0.339 nan 8.360 nan 0.000 0.397 65 L N 3.406 124.607 121.223 -0.037 0.000 2.452 65 L HA 0.366 4.706 4.340 -0.000 0.000 0.267 65 L C 0.146 176.991 176.870 -0.043 0.000 1.188 65 L CA 0.516 55.325 54.840 -0.051 0.000 0.821 65 L CB 0.650 42.677 42.059 -0.054 0.000 1.102 65 L HN 0.670 nan 8.230 nan 0.000 0.470 66 A N 3.496 126.286 122.820 -0.051 0.000 2.445 66 A HA 0.815 5.135 4.320 -0.000 0.000 0.270 66 A C -0.324 177.241 177.584 -0.032 0.000 1.495 66 A CA 0.100 52.115 52.037 -0.037 0.000 0.840 66 A CB -0.348 18.630 19.000 -0.036 0.000 1.472 66 A HN 1.050 nan 8.150 nan 0.000 0.541 67 A N -1.383 121.423 122.820 -0.023 0.000 2.337 67 A HA 0.537 4.857 4.320 -0.000 0.000 0.329 67 A C 0.031 177.607 177.584 -0.015 0.000 1.146 67 A CA -0.415 51.611 52.037 -0.017 0.000 0.800 67 A CB 0.901 19.894 19.000 -0.011 0.000 1.220 67 A HN 1.187 nan 8.150 nan 0.000 0.472 68 V N 1.971 121.877 119.914 -0.012 0.000 3.264 68 V HA -0.046 4.074 4.120 -0.000 0.000 0.343 68 V C 0.546 176.640 176.094 0.001 0.000 1.235 68 V CA 0.223 62.519 62.300 -0.006 0.000 1.439 68 V CB -2.411 29.409 31.823 -0.004 0.000 1.119 68 V HN 0.754 nan 8.190 nan 0.000 0.423 69 R N 1.990 122.490 120.500 0.000 0.000 2.723 69 R HA 0.366 4.706 4.340 -0.000 0.000 0.358 69 R C 1.447 177.752 176.300 0.008 0.000 0.966 69 R CA 0.777 56.879 56.100 0.003 0.000 1.022 69 R CB -1.124 29.177 30.300 0.002 0.000 0.945 69 R HN 0.539 nan 8.270 nan 0.000 0.420 70 G N 1.635 110.440 108.800 0.008 0.000 3.274 70 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.313 70 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.313 70 G C 0.998 175.907 174.900 0.016 0.000 1.295 70 G CA 0.471 45.577 45.100 0.011 0.000 1.004 70 G HN 0.514 nan 8.290 nan 0.000 0.614 71 S N 1.892 117.604 115.700 0.019 0.000 2.575 71 S HA 0.283 4.752 4.470 -0.000 0.000 0.215 71 S C 0.420 175.041 174.600 0.036 0.000 0.966 71 S CA 0.465 58.681 58.200 0.026 0.000 0.911 71 S CB -0.136 63.079 63.200 0.025 0.000 0.780 71 S HN 0.542 nan 8.310 nan 0.000 0.514 72 D N 1.155 121.575 120.400 0.032 0.000 2.368 72 D HA 0.254 4.894 4.640 -0.000 0.000 0.240 72 D C -0.346 175.977 176.300 0.039 0.000 1.169 72 D CA 0.332 54.355 54.000 0.039 0.000 0.906 72 D CB 1.188 42.001 40.800 0.021 0.000 1.187 72 D HN -0.061 nan 8.370 nan 0.000 0.435 73 V N 1.925 121.869 119.914 0.050 0.000 2.623 73 V HA 0.303 4.423 4.120 -0.000 0.000 0.304 73 V C 0.148 176.251 176.094 0.015 0.000 1.054 73 V CA -0.844 61.486 62.300 0.049 0.000 0.882 73 V CB 2.065 33.941 31.823 0.088 0.000 1.002 73 V HN 0.354 nan 8.190 nan 0.000 0.424 74 R N 2.823 123.323 120.500 -0.001 0.000 2.459 74 R HA 0.812 5.152 4.340 -0.000 0.000 0.281 74 R C -0.827 175.468 176.300 -0.009 0.000 1.050 74 R CA -0.289 55.789 56.100 -0.036 0.000 1.055 74 R CB 1.690 31.972 30.300 -0.031 0.000 1.045 74 R HN 0.715 nan 8.270 nan 0.000 0.495 75 V N -0.261 119.629 119.914 -0.040 0.000 3.012 75 V HA 0.534 4.654 4.120 -0.000 0.000 0.307 75 V C -1.411 174.679 176.094 -0.006 0.000 1.166 75 V CA -1.084 61.221 62.300 0.010 0.000 0.974 75 V CB 2.188 34.053 31.823 0.069 0.000 1.040 75 V HN 0.712 nan 8.190 nan 0.000 0.428 76 K N 3.977 124.392 120.400 0.024 0.000 2.293 76 K HA 0.578 4.898 4.320 -0.000 0.000 0.267 76 K C -0.342 176.273 176.600 0.024 0.000 1.010 76 K CA -0.851 55.448 56.287 0.019 0.000 0.875 76 K CB 1.442 33.960 32.500 0.030 0.000 1.106 76 K HN 0.725 nan 8.250 nan 0.000 0.450 77 M N 4.169 123.785 119.600 0.027 0.000 2.260 77 M HA -0.052 4.428 4.480 -0.000 0.000 0.348 77 M C 0.765 177.064 176.300 -0.001 0.000 1.342 77 M CA 0.239 55.558 55.300 0.031 0.000 1.040 77 M CB 0.466 33.105 32.600 0.064 0.000 1.810 77 M HN 0.582 nan 8.290 nan 0.000 0.453 78 L N 3.217 124.410 121.223 -0.051 0.000 2.189 78 L HA 0.371 4.711 4.340 -0.000 0.000 0.199 78 L C 0.576 177.407 176.870 -0.065 0.000 1.074 78 L CA 1.018 55.808 54.840 -0.084 0.000 0.783 78 L CB -0.324 41.597 42.059 -0.230 0.000 0.955 78 L HN 0.809 nan 8.230 nan 0.000 0.460 79 A N -1.513 121.265 122.820 -0.070 0.000 2.577 79 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 79 A C -1.509 176.076 177.584 0.003 0.000 1.060 79 A CA 0.069 52.083 52.037 -0.038 0.000 0.697 79 A CB 1.059 20.023 19.000 -0.059 0.000 1.281 79 A HN 0.127 nan 8.150 nan 0.000 0.402 80 A N 3.338 126.185 122.820 0.044 0.000 2.385 80 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 80 A C -2.969 174.693 177.584 0.131 0.000 1.094 80 A CA -1.588 50.533 52.037 0.139 0.000 0.729 80 A CB 1.114 20.294 19.000 0.300 0.000 1.194 80 A HN 0.528 nan 8.150 nan 0.000 0.442 81 P HA 0.348 nan 4.420 nan 0.000 0.275 81 P C -0.539 176.911 177.300 0.249 0.000 1.266 81 P CA -0.138 63.038 63.100 0.126 0.000 0.793 81 P CB 0.854 32.617 31.700 0.106 0.000 1.074 82 I N 1.690 122.361 120.570 0.168 0.000 2.371 82 I HA 0.244 4.414 4.170 -0.000 0.000 0.282 82 I C 0.319 176.560 176.117 0.206 0.000 1.031 82 I CA -0.482 60.982 61.300 0.272 0.000 1.180 82 I CB 0.487 38.525 38.000 0.063 0.000 1.336 82 I HN 0.176 nan 8.210 nan 0.000 0.467 83 N N 7.581 126.411 118.700 0.217 0.000 2.477 83 N HA 0.371 5.111 4.740 -0.000 0.000 0.284 83 N C -1.920 173.637 175.510 0.079 0.000 1.182 83 N CA -1.713 51.410 53.050 0.121 0.000 0.949 83 N CB 1.316 39.861 38.487 0.097 0.000 1.204 83 N HN 0.142 nan 8.380 nan 0.000 0.526 84 P HA -0.145 nan 4.420 nan 0.000 0.216 84 P C 1.413 178.691 177.300 -0.037 0.000 1.150 84 P CA 1.579 64.694 63.100 0.025 0.000 0.837 84 P CB 0.171 31.895 31.700 0.039 0.000 0.786 85 S N -1.200 114.460 115.700 -0.067 0.000 2.423 85 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 85 S C 1.624 175.975 174.600 -0.415 0.000 1.014 85 S CA 1.288 59.304 58.200 -0.306 0.000 0.965 85 S CB -1.124 61.939 63.200 -0.228 0.000 0.785 85 S HN 0.067 nan 8.310 nan 0.000 0.495 86 D N 1.883 122.155 120.400 -0.214 0.000 2.117 86 D HA 0.003 4.643 4.640 -0.000 0.000 0.198 86 D C 2.056 178.235 176.300 -0.202 0.000 0.982 86 D CA 0.857 54.705 54.000 -0.253 0.000 0.828 86 D CB -0.271 40.434 40.800 -0.158 0.000 0.967 86 D HN 0.355 nan 8.370 nan 0.000 0.464 87 I N 1.532 122.057 120.570 -0.076 0.000 2.142 87 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 87 I C 1.774 177.836 176.117 -0.092 0.000 1.078 87 I CA 1.144 62.419 61.300 -0.043 0.000 1.343 87 I CB -1.302 36.705 38.000 0.012 0.000 1.046 87 I HN 0.028 nan 8.210 nan 0.000 0.405 88 N N 0.291 118.928 118.700 -0.105 0.000 2.205 88 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 88 N C 1.952 177.401 175.510 -0.101 0.000 1.015 88 N CA 1.095 54.104 53.050 -0.068 0.000 0.862 88 N CB -0.148 38.351 38.487 0.021 0.000 0.986 88 N HN 0.299 nan 8.380 nan 0.000 0.429 89 M N 0.239 119.702 119.600 -0.227 0.000 2.077 89 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 89 M C 1.766 178.032 176.300 -0.057 0.000 1.070 89 M CA 1.500 56.713 55.300 -0.145 0.000 1.125 89 M CB -0.039 32.432 32.600 -0.215 0.000 1.339 89 M HN 0.114 nan 8.290 nan 0.000 0.409 90 I N -0.102 120.326 120.570 -0.236 0.000 2.226 90 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 90 I C 2.370 178.512 176.117 0.041 0.000 1.100 90 I CA 1.489 62.566 61.300 -0.372 0.000 1.374 90 I CB -0.401 37.259 38.000 -0.566 0.000 1.057 90 I HN 0.366 nan 8.210 nan 0.000 0.413 91 Q N 0.095 119.879 119.800 -0.027 0.000 2.135 91 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 91 Q C 1.726 177.699 176.000 -0.045 0.000 0.981 91 Q CA 1.468 57.275 55.803 0.006 0.000 0.856 91 Q CB -0.059 28.671 28.738 -0.015 0.000 0.902 91 Q HN 0.711 nan 8.270 nan 0.000 0.425 92 G N 0.278 108.943 108.800 -0.225 0.000 2.211 92 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.201 92 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.201 92 G C -0.367 174.413 174.900 -0.200 0.000 0.997 92 G CA -0.023 44.795 45.100 -0.470 0.000 0.652 92 G HN 0.435 nan 8.290 nan 0.000 0.500 93 N N 0.328 118.979 118.700 -0.082 0.000 3.229 93 N HA 0.574 5.314 4.740 -0.000 0.000 0.275 93 N C -0.902 174.640 175.510 0.054 0.000 1.225 93 N CA -0.317 52.715 53.050 -0.031 0.000 1.119 93 N CB 0.536 39.009 38.487 -0.024 0.000 1.392 93 N HN 0.365 nan 8.380 nan 0.000 0.520 94 Y N -0.986 119.229 120.300 -0.141 0.000 2.571 94 Y HA 0.453 5.003 4.550 -0.000 0.000 0.341 94 Y C 1.013 176.831 175.900 -0.137 0.000 1.076 94 Y CA -1.132 56.883 58.100 -0.141 0.000 1.029 94 Y CB 1.684 40.098 38.460 -0.078 0.000 1.308 94 Y HN 0.194 nan 8.280 nan 0.000 0.461 95 G N 1.962 110.291 108.800 -0.785 0.000 2.679 95 G HA2 0.117 4.077 3.960 -0.000 0.000 0.212 95 G HA3 0.117 4.077 3.960 -0.000 0.000 0.212 95 G C -0.657 174.248 174.900 0.010 0.000 1.137 95 G CA 0.588 45.369 45.100 -0.532 0.000 0.787 95 G HN 0.391 nan 8.290 nan 0.000 0.534 96 L N 0.278 121.626 121.223 0.207 0.000 2.541 96 L HA 0.583 4.923 4.340 -0.000 0.000 0.266 96 L C -1.391 175.686 176.870 0.346 0.000 0.966 96 L CA -0.638 54.407 54.840 0.343 0.000 0.871 96 L CB 1.581 43.920 42.059 0.467 0.000 1.232 96 L HN -0.105 nan 8.230 nan 0.000 0.408 97 L N 6.182 127.539 121.223 0.222 0.000 2.325 97 L HA 0.667 5.007 4.340 -0.000 0.000 0.281 97 L C -2.089 174.890 176.870 0.182 0.000 1.004 97 L CA -1.545 53.429 54.840 0.224 0.000 0.823 97 L CB 1.702 43.880 42.059 0.198 0.000 1.236 97 L HN 0.474 nan 8.230 nan 0.000 0.415 98 P HA 0.191 nan 4.420 nan 0.000 0.279 98 P C -1.009 176.301 177.300 0.017 0.000 1.239 98 P CA -0.661 62.483 63.100 0.074 0.000 0.789 98 P CB 0.600 32.329 31.700 0.048 0.000 0.933 99 E N 2.198 122.385 120.200 -0.022 0.000 2.415 99 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 99 E C -0.244 176.246 176.600 -0.184 0.000 0.995 99 E CA -0.298 56.059 56.400 -0.072 0.000 0.915 99 E CB 0.072 29.742 29.700 -0.049 0.000 0.951 99 E HN 0.297 nan 8.360 nan 0.000 0.449 100 L N 4.194 125.260 121.223 -0.261 0.000 2.439 100 L HA 0.249 4.589 4.340 -0.000 0.000 0.269 100 L C -1.564 175.149 176.870 -0.262 0.000 1.179 100 L CA -1.966 52.643 54.840 -0.385 0.000 0.828 100 L CB -0.225 41.567 42.059 -0.446 0.000 1.106 100 L HN 0.509 nan 8.230 nan 0.000 0.467 101 P HA 0.350 nan 4.420 nan 0.000 0.280 101 P C -1.059 176.028 177.300 -0.355 0.000 1.244 101 P CA -0.361 62.533 63.100 -0.343 0.000 0.784 101 P CB 1.582 33.146 31.700 -0.228 0.000 0.913 102 A N 2.856 125.316 122.820 -0.600 0.000 2.354 102 A HA 0.597 4.917 4.320 -0.000 0.000 0.321 102 A C -0.453 176.999 177.584 -0.220 0.000 1.125 102 A CA -0.742 51.025 52.037 -0.450 0.000 0.799 102 A CB 1.258 19.932 19.000 -0.544 0.000 1.293 102 A HN 0.341 nan 8.150 nan 0.000 0.452 103 V N 1.303 121.204 119.914 -0.023 0.000 2.465 103 V HA 0.514 4.634 4.120 -0.000 0.000 0.279 103 V C 1.233 177.391 176.094 0.106 0.000 1.045 103 V CA 0.001 62.352 62.300 0.085 0.000 0.938 103 V CB 1.037 32.903 31.823 0.071 0.000 0.986 103 V HN 1.127 nan 8.190 nan 0.000 0.467 104 G N 2.401 111.250 108.800 0.082 0.000 2.606 104 G HA2 0.542 4.502 3.960 -0.000 0.000 0.252 104 G HA3 0.542 4.502 3.960 -0.000 0.000 0.252 104 G C 0.293 174.526 174.900 -1.112 0.000 1.206 104 G CA 0.327 45.148 45.100 -0.466 0.000 0.861 104 G HN 1.692 nan 8.290 nan 0.000 0.561 105 G N 0.087 107.907 108.800 -1.634 0.000 2.907 105 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 105 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 105 G C 0.045 174.651 174.900 -0.491 0.000 1.115 105 G CA -0.075 44.218 45.100 -1.345 0.000 0.760 105 G HN 0.731 nan 8.290 nan 0.000 0.620 106 N N 0.038 118.574 118.700 -0.274 0.000 2.145 106 N HA 0.096 4.836 4.740 -0.000 0.000 0.219 106 N C 0.411 175.887 175.510 -0.056 0.000 1.266 106 N CA 0.685 53.649 53.050 -0.143 0.000 0.902 106 N CB 1.715 40.131 38.487 -0.119 0.000 1.078 106 N HN 0.880 nan 8.380 nan 0.000 0.513 107 E N -0.016 120.185 120.200 0.002 0.000 2.343 107 E HA 0.650 5.000 4.350 -0.000 0.000 0.270 107 E C -0.813 175.839 176.600 0.087 0.000 0.895 107 E CA -0.830 55.600 56.400 0.050 0.000 0.767 107 E CB 2.305 32.048 29.700 0.072 0.000 1.248 107 E HN 0.042 nan 8.360 nan 0.000 0.440 108 G N 0.367 109.203 108.800 0.059 0.000 2.347 108 G HA2 0.350 4.310 3.960 -0.000 0.000 0.303 108 G HA3 0.350 4.310 3.960 -0.000 0.000 0.303 108 G C -1.291 173.600 174.900 -0.014 0.000 1.481 108 G CA -0.309 44.818 45.100 0.045 0.000 0.914 108 G HN 0.781 nan 8.290 nan 0.000 0.638 109 V N -1.623 118.238 119.914 -0.088 0.000 2.732 109 V HA 1.004 5.124 4.120 -0.000 0.000 0.310 109 V C 0.550 176.528 176.094 -0.194 0.000 1.053 109 V CA -0.259 61.918 62.300 -0.206 0.000 0.957 109 V CB 0.988 32.538 31.823 -0.455 0.000 1.018 109 V HN 2.397 nan 8.190 nan 0.000 0.452 110 A N 2.330 125.036 122.820 -0.190 0.000 2.587 110 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 110 A C -1.047 176.511 177.584 -0.044 0.000 1.087 110 A CA -0.732 51.253 52.037 -0.087 0.000 0.692 110 A CB 2.132 21.162 19.000 0.049 0.000 1.291 110 A HN 0.840 nan 8.150 nan 0.000 0.407 111 Q N 0.677 120.515 119.800 0.063 0.000 2.312 111 Q HA 0.565 4.905 4.340 -0.000 0.000 0.263 111 Q C -1.120 174.967 176.000 0.146 0.000 0.995 111 Q CA -0.663 55.272 55.803 0.219 0.000 0.853 111 Q CB 1.935 30.838 28.738 0.275 0.000 1.300 111 Q HN 0.603 nan 8.270 nan 0.000 0.448 112 V N 4.257 124.262 119.914 0.151 0.000 2.572 112 V HA -0.010 4.110 4.120 -0.000 0.000 0.291 112 V C 1.155 177.294 176.094 0.076 0.000 1.039 112 V CA 0.307 62.667 62.300 0.100 0.000 1.055 112 V CB 0.942 32.820 31.823 0.092 0.000 0.969 112 V HN 0.800 nan 8.190 nan 0.000 0.482 113 V N 2.899 122.843 119.914 0.050 0.000 2.581 113 V HA 0.690 4.810 4.120 -0.000 0.000 0.240 113 V C 0.658 176.768 176.094 0.027 0.000 1.054 113 V CA 1.008 63.330 62.300 0.036 0.000 1.076 113 V CB 0.329 32.166 31.823 0.023 0.000 0.748 113 V HN 0.995 nan 8.190 nan 0.000 0.474 114 A N 0.028 122.861 122.820 0.022 0.000 2.594 114 A HA 0.799 5.119 4.320 -0.000 0.000 0.295 114 A C -0.762 176.833 177.584 0.019 0.000 1.071 114 A CA 0.069 52.116 52.037 0.017 0.000 0.685 114 A CB 1.766 20.771 19.000 0.009 0.000 1.285 114 A HN 1.456 nan 8.150 nan 0.000 0.405 115 V N -0.863 119.063 119.914 0.019 0.000 3.096 115 V HA 0.992 5.112 4.120 -0.000 0.000 0.319 115 V C 0.588 176.691 176.094 0.016 0.000 1.103 115 V CA -0.191 62.122 62.300 0.022 0.000 1.016 115 V CB 1.295 33.133 31.823 0.026 0.000 1.090 115 V HN 1.657 nan 8.190 nan 0.000 0.449 116 G N 0.396 109.207 108.800 0.018 0.000 2.504 116 G HA2 0.427 4.387 3.960 -0.000 0.000 0.288 116 G HA3 0.427 4.387 3.960 -0.000 0.000 0.288 116 G C 0.800 175.708 174.900 0.013 0.000 1.182 116 G CA 0.158 45.267 45.100 0.014 0.000 0.894 116 G HN 1.127 nan 8.290 nan 0.000 0.521 117 S N 0.680 116.386 115.700 0.010 0.000 2.422 117 S HA -0.246 4.224 4.470 -0.000 0.000 0.241 117 S C 1.315 175.920 174.600 0.009 0.000 1.076 117 S CA 1.836 60.041 58.200 0.008 0.000 1.066 117 S CB -0.279 62.924 63.200 0.006 0.000 0.890 117 S HN 0.873 nan 8.310 nan 0.000 0.465 118 N N -0.039 118.668 118.700 0.011 0.000 2.723 118 N HA 0.269 5.009 4.740 -0.000 0.000 0.290 118 N C -1.355 174.163 175.510 0.015 0.000 1.882 118 N CA -0.300 52.757 53.050 0.011 0.000 0.851 118 N CB 0.203 38.696 38.487 0.010 0.000 1.234 118 N HN 0.076 nan 8.380 nan 0.000 0.491 119 V N 0.953 120.878 119.914 0.017 0.000 2.370 119 V HA 0.271 4.391 4.120 -0.000 0.000 0.279 119 V C 1.308 177.413 176.094 0.018 0.000 1.029 119 V CA -0.283 62.029 62.300 0.021 0.000 0.870 119 V CB 1.260 33.098 31.823 0.026 0.000 0.984 119 V HN 0.615 nan 8.190 nan 0.000 0.451 120 T N 3.297 117.862 114.554 0.018 0.000 2.983 120 T HA 0.070 4.420 4.350 -0.000 0.000 0.250 120 T C 1.625 176.334 174.700 0.016 0.000 1.037 120 T CA 1.319 63.428 62.100 0.015 0.000 1.142 120 T CB 0.006 68.882 68.868 0.012 0.000 0.876 120 T HN 0.768 nan 8.240 nan 0.000 0.455 121 G N 0.573 109.385 108.800 0.020 0.000 2.986 121 G HA2 0.375 4.335 3.960 -0.000 0.000 0.213 121 G HA3 0.375 4.335 3.960 -0.000 0.000 0.213 121 G C 0.091 175.006 174.900 0.025 0.000 1.156 121 G CA -0.138 44.974 45.100 0.020 0.000 0.763 121 G HN 0.484 nan 8.290 nan 0.000 0.547 122 L N 1.041 122.283 121.223 0.031 0.000 2.356 122 L HA 0.498 4.838 4.340 -0.000 0.000 0.277 122 L C -0.799 176.091 176.870 0.034 0.000 0.996 122 L CA -0.976 53.887 54.840 0.039 0.000 0.822 122 L CB 2.349 44.440 42.059 0.054 0.000 1.256 122 L HN -0.018 nan 8.230 nan 0.000 0.413 123 K N 2.653 123.072 120.400 0.032 0.000 2.203 123 K HA 0.674 4.994 4.320 -0.000 0.000 0.251 123 K C -2.729 173.892 176.600 0.034 0.000 0.944 123 K CA -2.067 54.235 56.287 0.026 0.000 0.829 123 K CB 0.808 33.317 32.500 0.015 0.000 1.125 123 K HN 0.102 nan 8.250 nan 0.000 0.430 124 P HA -0.017 nan 4.420 nan 0.000 0.268 124 P C 0.608 177.932 177.300 0.040 0.000 1.208 124 P CA 0.895 64.019 63.100 0.040 0.000 0.777 124 P CB 0.530 32.249 31.700 0.030 0.000 0.875 125 G N 0.695 109.532 108.800 0.062 0.000 2.175 125 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 125 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 125 G C -0.075 174.863 174.900 0.063 0.000 0.982 125 G CA -0.275 44.859 45.100 0.056 0.000 0.641 125 G HN 0.499 nan 8.290 nan 0.000 0.527 126 D N -0.270 120.186 120.400 0.093 0.000 2.345 126 D HA 0.423 5.063 4.640 -0.000 0.000 0.247 126 D C 0.060 176.531 176.300 0.285 0.000 1.108 126 D CA -0.016 54.055 54.000 0.118 0.000 0.894 126 D CB 0.458 41.314 40.800 0.093 0.000 1.203 126 D HN 0.147 nan 8.370 nan 0.000 0.430 127 W N 2.375 123.686 121.300 0.018 0.000 2.351 127 W HA 0.388 5.048 4.660 -0.000 0.000 0.311 127 W C -0.146 176.389 176.519 0.026 0.000 1.168 127 W CA -0.849 56.510 57.345 0.024 0.000 1.200 127 W CB 0.545 30.015 29.460 0.017 0.000 1.221 127 W HN 0.013 nan 8.180 nan 0.000 0.519 128 V N 3.359 123.378 119.914 0.176 0.000 3.102 128 V HA 0.796 4.916 4.120 -0.000 0.000 0.312 128 V C -0.431 175.691 176.094 0.047 0.000 1.135 128 V CA -1.392 60.972 62.300 0.107 0.000 1.022 128 V CB 1.818 33.709 31.823 0.113 0.000 1.056 128 V HN 0.458 nan 8.190 nan 0.000 0.436 129 I N -2.186 118.414 120.570 0.050 0.000 3.239 129 I HA 0.858 5.028 4.170 -0.000 0.000 0.314 129 I C -2.938 173.214 176.117 0.059 0.000 1.126 129 I CA -2.851 58.475 61.300 0.044 0.000 0.973 129 I CB 2.252 40.285 38.000 0.054 0.000 1.252 129 I HN 0.354 nan 8.210 nan 0.000 0.463 130 P HA 0.256 nan 4.420 nan 0.000 0.278 130 P C -0.032 177.353 177.300 0.142 0.000 1.238 130 P CA -0.152 62.952 63.100 0.006 0.000 0.794 130 P CB 1.583 33.240 31.700 -0.073 0.000 0.955 131 A N 2.734 125.622 122.820 0.114 0.000 1.930 131 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 131 A C 1.018 178.614 177.584 0.020 0.000 1.176 131 A CA 1.540 53.711 52.037 0.223 0.000 0.632 131 A CB -0.445 18.637 19.000 0.137 0.000 0.819 131 A HN 0.568 nan 8.150 nan 0.000 0.445 132 N N -2.635 116.028 118.700 -0.060 0.000 2.647 132 N HA 0.586 5.326 4.740 -0.000 0.000 0.266 132 N C -0.496 174.949 175.510 -0.108 0.000 1.373 132 N CA 0.166 53.139 53.050 -0.129 0.000 0.807 132 N CB 1.612 40.016 38.487 -0.137 0.000 1.513 132 N HN 0.232 nan 8.380 nan 0.000 0.505 133 A N -0.578 122.183 122.820 -0.099 0.000 2.325 133 A HA 0.512 4.832 4.320 -0.000 0.000 0.260 133 A C 1.232 178.778 177.584 -0.062 0.000 1.133 133 A CA 0.857 52.858 52.037 -0.059 0.000 0.801 133 A CB -0.773 18.235 19.000 0.013 0.000 1.092 133 A HN 1.338 nan 8.150 nan 0.000 0.504 134 G N -1.779 106.990 108.800 -0.051 0.000 2.217 134 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 134 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 134 G C 0.932 175.784 174.900 -0.079 0.000 0.990 134 G CA 0.506 45.582 45.100 -0.040 0.000 0.627 134 G HN 0.667 nan 8.290 nan 0.000 0.522 135 L N 0.755 121.887 121.223 -0.153 0.000 2.079 135 L HA 0.204 4.544 4.340 -0.000 0.000 0.210 135 L C 1.905 178.715 176.870 -0.100 0.000 1.081 135 L CA 1.938 56.628 54.840 -0.251 0.000 0.752 135 L CB -0.673 41.055 42.059 -0.552 0.000 0.896 135 L HN 1.526 nan 8.230 nan 0.000 0.433 136 G N -0.166 108.587 108.800 -0.079 0.000 2.884 136 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.261 136 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.261 136 G C 0.539 175.499 174.900 0.100 0.000 1.025 136 G CA 0.258 45.354 45.100 -0.007 0.000 1.228 136 G HN 0.339 nan 8.290 nan 0.000 0.558 137 T N -2.931 111.629 114.554 0.010 0.000 3.057 137 T HA 0.100 4.450 4.350 -0.000 0.000 0.254 137 T C 0.838 175.724 174.700 0.310 0.000 1.094 137 T CA 0.540 62.737 62.100 0.161 0.000 1.088 137 T CB 0.146 69.088 68.868 0.123 0.000 0.934 137 T HN 0.501 nan 8.240 nan 0.000 0.497 138 W N 5.062 126.401 121.300 0.065 0.000 1.564 138 W HA 0.478 5.138 4.660 -0.000 0.000 0.480 138 W C 0.570 177.100 176.519 0.019 0.000 0.699 138 W CA -1.540 55.825 57.345 0.034 0.000 1.985 138 W CB -1.306 28.167 29.460 0.023 0.000 1.738 138 W HN 0.439 nan 8.180 nan 0.000 0.218 139 R N -1.507 119.123 120.500 0.216 0.000 2.733 139 R HA 0.423 4.762 4.340 -0.000 0.000 0.272 139 R C 0.909 177.252 176.300 0.072 0.000 1.029 139 R CA -0.382 55.784 56.100 0.110 0.000 0.888 139 R CB 0.572 30.924 30.300 0.086 0.000 1.251 139 R HN -0.043 nan 8.270 nan 0.000 0.464 140 T N -2.559 112.014 114.554 0.032 0.000 2.809 140 T HA 0.019 4.369 4.350 -0.000 0.000 0.260 140 T C 0.419 175.122 174.700 0.006 0.000 1.039 140 T CA 0.897 63.008 62.100 0.017 0.000 1.141 140 T CB 0.020 68.891 68.868 0.006 0.000 0.869 140 T HN 0.590 nan 8.240 nan 0.000 0.437 141 E N -0.439 119.751 120.200 -0.017 0.000 2.408 141 E HA 0.668 5.018 4.350 -0.000 0.000 0.275 141 E C -1.661 174.865 176.600 -0.124 0.000 0.935 141 E CA -0.874 55.493 56.400 -0.056 0.000 0.775 141 E CB 2.328 31.999 29.700 -0.049 0.000 1.277 141 E HN 0.534 nan 8.360 nan 0.000 0.455 142 A N 1.134 123.814 122.820 -0.233 0.000 2.586 142 A HA 0.586 4.906 4.320 -0.000 0.000 0.290 142 A C -1.828 175.440 177.584 -0.528 0.000 1.086 142 A CA -0.538 51.228 52.037 -0.451 0.000 0.665 142 A CB 1.635 20.168 19.000 -0.778 0.000 1.279 142 A HN 0.427 nan 8.150 nan 0.000 0.423 143 V N 1.081 120.660 119.914 -0.558 0.000 2.444 143 V HA 0.848 4.968 4.120 -0.000 0.000 0.294 143 V C -1.842 174.022 176.094 -0.382 0.000 1.022 143 V CA -0.578 61.509 62.300 -0.355 0.000 0.850 143 V CB 0.665 32.392 31.823 -0.160 0.000 0.992 143 V HN 0.721 nan 8.190 nan 0.000 0.426 144 F N 3.698 123.656 119.950 0.014 0.000 2.561 144 F HA 0.670 5.197 4.527 -0.000 0.000 0.321 144 F C 0.672 176.481 175.800 0.015 0.000 1.065 144 F CA -0.622 57.387 58.000 0.014 0.000 0.934 144 F CB 2.161 41.172 39.000 0.019 0.000 1.215 144 F HN 0.644 nan 8.300 nan 0.000 0.471 145 S N 0.639 116.480 115.700 0.234 0.000 2.579 145 S HA 0.048 4.518 4.470 -0.000 0.000 0.275 145 S C 1.194 175.866 174.600 0.120 0.000 1.345 145 S CA 0.064 58.339 58.200 0.125 0.000 1.031 145 S CB 0.644 63.895 63.200 0.084 0.000 0.892 145 S HN 0.861 nan 8.310 nan 0.000 0.529 146 E N 1.750 122.000 120.200 0.084 0.000 2.204 146 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 146 E C 1.397 178.035 176.600 0.062 0.000 0.990 146 E CA 1.507 57.952 56.400 0.075 0.000 0.821 146 E CB -0.267 29.467 29.700 0.056 0.000 0.750 146 E HN 0.927 nan 8.360 nan 0.000 0.477 147 E N 0.494 120.724 120.200 0.049 0.000 2.208 147 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 147 E C 1.933 178.553 176.600 0.032 0.000 0.988 147 E CA 0.735 57.157 56.400 0.037 0.000 0.828 147 E CB -0.092 29.622 29.700 0.024 0.000 0.763 147 E HN 0.341 nan 8.360 nan 0.000 0.478 148 A N 1.164 123.998 122.820 0.022 0.000 2.239 148 A HA 0.124 4.444 4.320 -0.000 0.000 0.209 148 A C 1.007 178.575 177.584 -0.028 0.000 1.171 148 A CA 0.404 52.425 52.037 -0.028 0.000 0.768 148 A CB -0.246 18.708 19.000 -0.077 0.000 0.790 148 A HN 0.087 nan 8.150 nan 0.000 0.478 149 L N -1.410 119.834 121.223 0.034 0.000 2.279 149 L HA 0.766 5.106 4.340 -0.000 0.000 0.262 149 L C -0.718 176.195 176.870 0.072 0.000 1.019 149 L CA -1.118 53.756 54.840 0.056 0.000 0.823 149 L CB 1.976 44.090 42.059 0.092 0.000 1.358 149 L HN 0.188 nan 8.230 nan 0.000 0.432 150 I N 0.561 121.170 120.570 0.065 0.000 2.680 150 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 150 I C -0.728 175.400 176.117 0.019 0.000 1.244 150 I CA -0.218 61.098 61.300 0.026 0.000 1.042 150 I CB 2.046 40.028 38.000 -0.030 0.000 1.277 150 I HN 0.666 nan 8.210 nan 0.000 0.423 151 Q N 5.334 125.144 119.800 0.016 0.000 2.373 151 Q HA 0.645 4.985 4.340 -0.000 0.000 0.255 151 Q C -1.104 174.911 176.000 0.025 0.000 0.980 151 Q CA -0.333 55.496 55.803 0.044 0.000 0.882 151 Q CB 1.231 29.992 28.738 0.038 0.000 1.249 151 Q HN 0.773 nan 8.270 nan 0.000 0.438 152 V N 1.561 121.528 119.914 0.089 0.000 2.604 152 V HA 0.692 4.812 4.120 -0.000 0.000 0.305 152 V C -2.588 173.580 176.094 0.123 0.000 1.043 152 V CA -2.667 59.688 62.300 0.092 0.000 0.888 152 V CB 1.268 33.174 31.823 0.138 0.000 0.995 152 V HN 0.794 nan 8.190 nan 0.000 0.429 153 P HA 0.206 nan 4.420 nan 0.000 0.267 153 P C 0.603 177.939 177.300 0.060 0.000 1.200 153 P CA 0.246 63.368 63.100 0.036 0.000 0.772 153 P CB 0.718 32.425 31.700 0.012 0.000 0.855 154 S N 0.341 115.991 115.700 -0.083 0.000 2.593 154 S HA -0.053 4.417 4.470 -0.000 0.000 0.217 154 S C 0.826 175.250 174.600 -0.293 0.000 0.966 154 S CA 0.340 58.332 58.200 -0.346 0.000 0.914 154 S CB -0.414 62.451 63.200 -0.557 0.000 0.776 154 S HN 0.624 nan 8.310 nan 0.000 0.523 155 D N 1.870 122.200 120.400 -0.117 0.000 2.434 155 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 155 D C 0.324 176.624 176.300 -0.000 0.000 1.166 155 D CA -0.365 53.593 54.000 -0.071 0.000 0.830 155 D CB -0.603 40.164 40.800 -0.056 0.000 0.960 155 D HN 0.499 nan 8.370 nan 0.000 0.497 156 I N -4.220 116.388 120.570 0.064 0.000 2.846 156 I HA 0.615 4.785 4.170 -0.000 0.000 0.307 156 I C -2.759 173.476 176.117 0.197 0.000 1.053 156 I CA -2.824 58.543 61.300 0.112 0.000 1.050 156 I CB 1.792 39.863 38.000 0.118 0.000 1.239 156 I HN -0.395 nan 8.210 nan 0.000 0.439 157 P HA 0.113 nan 4.420 nan 0.000 0.271 157 P C 0.585 178.041 177.300 0.261 0.000 1.218 157 P CA -0.325 62.892 63.100 0.196 0.000 0.780 157 P CB 1.179 32.945 31.700 0.111 0.000 0.901 158 L N 2.233 123.655 121.223 0.332 0.000 2.127 158 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 158 L C 2.342 179.178 176.870 -0.056 0.000 1.089 158 L CA 1.878 56.722 54.840 0.007 0.000 0.757 158 L CB -0.450 41.609 42.059 0.000 0.000 0.899 158 L HN 0.291 nan 8.230 nan 0.000 0.434 159 Q N -0.815 119.001 119.800 0.026 0.000 2.079 159 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 159 Q C 2.342 178.349 176.000 0.011 0.000 0.974 159 Q CA 2.063 57.872 55.803 0.010 0.000 0.840 159 Q CB -0.088 28.667 28.738 0.029 0.000 0.898 159 Q HN 0.565 nan 8.270 nan 0.000 0.430 160 S N -0.469 115.253 115.700 0.035 0.000 2.345 160 S HA -0.118 4.352 4.470 -0.000 0.000 0.220 160 S C 1.882 176.497 174.600 0.026 0.000 1.031 160 S CA 0.944 59.167 58.200 0.037 0.000 0.996 160 S CB -0.511 62.722 63.200 0.056 0.000 0.882 160 S HN 0.587 nan 8.310 nan 0.000 0.445 161 A N 1.206 124.041 122.820 0.026 0.000 1.986 161 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 161 A C 2.203 179.759 177.584 -0.046 0.000 1.171 161 A CA 1.849 53.884 52.037 -0.003 0.000 0.640 161 A CB -0.881 18.107 19.000 -0.020 0.000 0.811 161 A HN 0.553 nan 8.150 nan 0.000 0.451 162 A N -0.834 121.946 122.820 -0.068 0.000 2.119 162 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 162 A C 1.962 179.551 177.584 0.008 0.000 1.153 162 A CA 1.908 53.916 52.037 -0.049 0.000 0.692 162 A CB -0.650 18.312 19.000 -0.063 0.000 0.799 162 A HN 0.808 nan 8.150 nan 0.000 0.458 163 T N -3.874 110.693 114.554 0.020 0.000 3.132 163 T HA 0.289 4.639 4.350 -0.000 0.000 0.274 163 T C 1.171 175.901 174.700 0.051 0.000 1.011 163 T CA 0.316 62.441 62.100 0.043 0.000 0.899 163 T CB 0.020 68.912 68.868 0.040 0.000 1.089 163 T HN 0.102 nan 8.240 nan 0.000 0.543 164 L N 1.873 123.125 121.223 0.048 0.000 2.131 164 L HA 0.455 4.795 4.340 -0.000 0.000 0.206 164 L C 2.403 179.331 176.870 0.097 0.000 1.087 164 L CA 1.671 56.544 54.840 0.056 0.000 0.767 164 L CB -0.744 41.338 42.059 0.038 0.000 0.917 164 L HN 0.367 nan 8.230 nan 0.000 0.441 165 G N -1.456 107.420 108.800 0.128 0.000 2.559 165 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.216 165 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.216 165 G C 0.991 175.989 174.900 0.164 0.000 1.126 165 G CA 1.054 46.287 45.100 0.221 0.000 0.778 165 G HN 0.325 nan 8.290 nan 0.000 0.543 166 V N 0.298 120.282 119.914 0.116 0.000 3.949 166 V HA 0.072 4.192 4.120 -0.000 0.000 0.195 166 V C 2.135 178.291 176.094 0.105 0.000 1.114 166 V CA 0.435 62.799 62.300 0.107 0.000 1.384 166 V CB -0.526 31.358 31.823 0.102 0.000 1.685 166 V HN 0.105 nan 8.190 nan 0.000 0.492 167 N N 1.241 119.998 118.700 0.096 0.000 2.036 167 N HA -0.141 4.598 4.740 -0.000 0.000 0.195 167 N C -0.725 174.813 175.510 0.046 0.000 1.037 167 N CA 2.184 55.283 53.050 0.081 0.000 0.855 167 N CB -1.813 36.721 38.487 0.079 0.000 1.033 167 N HN 0.376 nan 8.380 nan 0.000 0.423 168 P HA 0.025 nan 4.420 nan 0.000 0.220 168 P C 1.192 178.511 177.300 0.032 0.000 1.148 168 P CA 0.752 63.871 63.100 0.032 0.000 0.803 168 P CB 0.028 31.746 31.700 0.031 0.000 0.782 169 C N -1.531 117.795 119.300 0.043 0.000 2.466 169 C HA -0.082 4.378 4.460 -0.000 0.000 0.278 169 C C 2.700 177.686 174.990 -0.006 0.000 1.288 169 C CA 1.591 60.623 59.018 0.023 0.000 1.722 169 C CB -1.700 26.081 27.740 0.069 0.000 2.017 169 C HN 0.277 nan 8.230 nan 0.000 0.488 170 T N 1.253 115.836 114.554 0.048 0.000 2.684 170 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 170 T C 2.099 176.664 174.700 -0.226 0.000 1.036 170 T CA 1.803 63.935 62.100 0.054 0.000 1.148 170 T CB -0.481 68.474 68.868 0.144 0.000 0.863 170 T HN 0.632 nan 8.240 nan 0.000 0.436 171 A N 0.624 123.343 122.820 -0.168 0.000 1.865 171 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 171 A C 2.124 179.600 177.584 -0.179 0.000 1.191 171 A CA 1.796 53.713 52.037 -0.200 0.000 0.623 171 A CB -1.230 17.708 19.000 -0.104 0.000 0.826 171 A HN 0.583 nan 8.150 nan 0.000 0.444 172 Y N 0.561 120.737 120.300 -0.207 0.000 2.207 172 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 172 Y C 2.543 178.277 175.900 -0.277 0.000 1.156 172 Y CA 2.008 59.991 58.100 -0.196 0.000 1.182 172 Y CB -0.064 38.306 38.460 -0.151 0.000 0.979 172 Y HN 0.191 nan 8.280 nan 0.000 0.521 173 R N -0.496 119.851 120.500 -0.255 0.000 2.090 173 R HA -0.113 4.227 4.340 -0.000 0.000 0.228 173 R C 2.232 178.197 176.300 -0.558 0.000 1.110 173 R CA 1.645 57.458 56.100 -0.479 0.000 0.973 173 R CB -0.551 29.361 30.300 -0.647 0.000 0.869 173 R HN 0.459 nan 8.270 nan 0.000 0.440 174 M N 0.516 119.739 119.600 -0.629 0.000 2.296 174 M HA -0.071 4.409 4.480 -0.000 0.000 0.265 174 M C 2.078 178.270 176.300 -0.179 0.000 1.064 174 M CA 1.232 56.298 55.300 -0.390 0.000 1.109 174 M CB -0.100 32.210 32.600 -0.484 0.000 1.396 174 M HN 0.067 nan 8.290 nan 0.000 0.430 175 L N -0.786 120.277 121.223 -0.268 0.000 2.313 175 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 175 L C 2.265 178.994 176.870 -0.235 0.000 1.119 175 L CA 0.423 55.123 54.840 -0.233 0.000 0.809 175 L CB -0.213 41.670 42.059 -0.293 0.000 0.933 175 L HN 0.373 nan 8.230 nan 0.000 0.449 176 M N -1.413 118.011 119.600 -0.293 0.000 2.691 176 M HA 0.039 4.519 4.480 -0.000 0.000 0.261 176 M C 1.362 177.559 176.300 -0.171 0.000 1.227 176 M CA 1.011 56.160 55.300 -0.252 0.000 1.197 176 M CB -0.633 31.769 32.600 -0.330 0.000 1.294 176 M HN 0.029 nan 8.290 nan 0.000 0.508 177 D N -0.054 120.212 120.400 -0.224 0.000 2.347 177 D HA 0.020 4.660 4.640 -0.000 0.000 0.215 177 D C 1.509 177.413 176.300 -0.660 0.000 0.976 177 D CA 0.925 54.685 54.000 -0.400 0.000 0.884 177 D CB 0.031 40.539 40.800 -0.487 0.000 0.915 177 D HN 0.274 nan 8.370 nan 0.000 0.526 178 F N 0.365 120.288 119.950 -0.046 0.000 2.537 178 F HA 0.246 4.773 4.527 -0.000 0.000 0.277 178 F C 1.075 176.864 175.800 -0.020 0.000 1.013 178 F CA 0.041 58.032 58.000 -0.015 0.000 1.332 178 F CB 0.533 39.524 39.000 -0.015 0.000 1.108 178 F HN -0.335 nan 8.300 nan 0.000 0.679 179 E N 0.754 121.026 120.200 0.121 0.000 2.288 179 E HA 0.245 4.595 4.350 -0.000 0.000 0.268 179 E C -0.934 175.669 176.600 0.005 0.000 0.885 179 E CA -0.552 55.880 56.400 0.053 0.000 0.767 179 E CB 1.935 31.663 29.700 0.047 0.000 1.220 179 E HN 0.121 nan 8.360 nan 0.000 0.427 180 Q N 2.262 122.061 119.800 -0.002 0.000 2.441 180 Q HA 0.292 4.632 4.340 -0.000 0.000 0.234 180 Q C -0.415 175.574 176.000 -0.018 0.000 1.078 180 Q CA -0.213 55.580 55.803 -0.017 0.000 0.907 180 Q CB 0.312 29.043 28.738 -0.011 0.000 1.269 180 Q HN 0.284 nan 8.270 nan 0.000 0.502 181 L N 2.375 123.579 121.223 -0.031 0.000 2.305 181 L HA 0.303 4.643 4.340 -0.000 0.000 0.281 181 L C 0.496 177.351 176.870 -0.025 0.000 1.085 181 L CA -0.307 54.516 54.840 -0.027 0.000 0.813 181 L CB 0.668 42.705 42.059 -0.037 0.000 1.157 181 L HN 0.360 nan 8.230 nan 0.000 0.436 182 Q N 2.959 122.751 119.800 -0.012 0.000 2.240 182 Q HA 0.460 4.800 4.340 -0.000 0.000 0.260 182 Q C -2.395 173.604 176.000 -0.003 0.000 1.018 182 Q CA -2.061 53.737 55.803 -0.007 0.000 0.898 182 Q CB 1.642 30.378 28.738 -0.002 0.000 1.301 182 Q HN 0.325 nan 8.270 nan 0.000 0.469 183 P HA 0.014 nan 4.420 nan 0.000 0.267 183 P C 0.315 177.622 177.300 0.011 0.000 1.205 183 P CA 1.026 64.129 63.100 0.005 0.000 0.765 183 P CB 0.416 32.119 31.700 0.006 0.000 0.828 184 G N 2.174 110.984 108.800 0.017 0.000 2.232 184 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.226 184 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.226 184 G C -0.005 174.915 174.900 0.034 0.000 0.996 184 G CA -0.389 44.726 45.100 0.026 0.000 0.626 184 G HN 0.482 nan 8.290 nan 0.000 0.509 185 D N 1.389 121.804 120.400 0.026 0.000 2.362 185 D HA 0.524 5.164 4.640 -0.000 0.000 0.242 185 D C 0.962 177.292 176.300 0.050 0.000 1.132 185 D CA 0.878 54.895 54.000 0.029 0.000 0.907 185 D CB 1.444 42.251 40.800 0.012 0.000 1.195 185 D HN 0.596 nan 8.370 nan 0.000 0.429 186 S N -0.230 115.513 115.700 0.071 0.000 2.651 186 S HA 0.761 5.231 4.470 -0.000 0.000 0.291 186 S C -0.392 174.267 174.600 0.098 0.000 1.141 186 S CA -0.735 57.536 58.200 0.119 0.000 1.027 186 S CB 1.561 64.901 63.200 0.233 0.000 1.043 186 S HN 0.179 nan 8.310 nan 0.000 0.530 187 V N 2.031 122.010 119.914 0.108 0.000 2.971 187 V HA 0.592 4.712 4.120 -0.000 0.000 0.309 187 V C -0.753 175.401 176.094 0.101 0.000 1.130 187 V CA -0.783 61.563 62.300 0.076 0.000 0.964 187 V CB 1.876 33.714 31.823 0.025 0.000 1.029 187 V HN 1.015 nan 8.190 nan 0.000 0.427 188 I N 3.538 124.162 120.570 0.091 0.000 2.608 188 I HA 0.715 4.885 4.170 -0.000 0.000 0.295 188 I C -0.720 175.430 176.117 0.055 0.000 1.049 188 I CA -0.201 61.153 61.300 0.091 0.000 1.063 188 I CB 1.947 40.034 38.000 0.144 0.000 1.248 188 I HN 0.990 nan 8.210 nan 0.000 0.424 189 Q N 5.015 124.844 119.800 0.048 0.000 2.553 189 Q HA 0.522 4.862 4.340 -0.000 0.000 0.293 189 Q C -1.966 174.061 176.000 0.045 0.000 1.038 189 Q CA -1.009 54.826 55.803 0.054 0.000 0.777 189 Q CB 2.049 30.820 28.738 0.055 0.000 1.487 189 Q HN 0.667 nan 8.270 nan 0.000 0.426 190 N N -0.281 118.451 118.700 0.054 0.000 2.381 190 N HA 0.585 5.325 4.740 -0.000 0.000 0.294 190 N C -0.607 174.921 175.510 0.029 0.000 1.216 190 N CA -0.107 52.957 53.050 0.023 0.000 0.803 190 N CB 1.629 40.116 38.487 0.000 0.000 1.372 190 N HN 1.267 nan 8.380 nan 0.000 0.500 191 A N -0.472 122.344 122.820 -0.006 0.000 2.846 191 A HA -0.179 4.141 4.320 -0.000 0.000 0.287 191 A C 0.993 178.591 177.584 0.022 0.000 1.469 191 A CA 0.813 52.842 52.037 -0.013 0.000 0.757 191 A CB -2.584 16.404 19.000 -0.021 0.000 1.033 191 A HN 0.716 nan 8.150 nan 0.000 0.516 192 S N -0.652 115.056 115.700 0.013 0.000 2.500 192 S HA -0.116 4.354 4.470 -0.000 0.000 0.239 192 S C 1.413 176.019 174.600 0.011 0.000 0.989 192 S CA 1.348 59.560 58.200 0.020 0.000 0.951 192 S CB -0.249 62.958 63.200 0.012 0.000 0.759 192 S HN 0.896 nan 8.310 nan 0.000 0.523 193 N N 1.521 120.216 118.700 -0.008 0.000 2.280 193 N HA 0.061 4.801 4.740 -0.000 0.000 0.192 193 N C 0.539 176.046 175.510 -0.005 0.000 1.109 193 N CA 0.029 53.071 53.050 -0.015 0.000 0.855 193 N CB 0.163 38.626 38.487 -0.041 0.000 0.974 193 N HN 0.377 nan 8.380 nan 0.000 0.482 194 S N -2.088 113.620 115.700 0.013 0.000 2.634 194 S HA 0.348 4.818 4.470 -0.000 0.000 0.261 194 S C 1.664 176.296 174.600 0.054 0.000 1.271 194 S CA -0.163 58.058 58.200 0.035 0.000 0.985 194 S CB 0.834 64.074 63.200 0.067 0.000 0.968 194 S HN 0.175 nan 8.310 nan 0.000 0.568 195 G N 0.106 108.945 108.800 0.066 0.000 2.446 195 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 195 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 195 G C 1.227 176.169 174.900 0.070 0.000 1.168 195 G CA 0.977 46.117 45.100 0.066 0.000 0.771 195 G HN 0.629 nan 8.290 nan 0.000 0.551 196 V N 1.592 121.572 119.914 0.110 0.000 2.270 196 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 196 V C 3.189 179.298 176.094 0.025 0.000 1.043 196 V CA 2.019 64.357 62.300 0.063 0.000 1.014 196 V CB -1.287 30.593 31.823 0.095 0.000 0.645 196 V HN 0.431 nan 8.190 nan 0.000 0.447 197 G N -1.263 107.585 108.800 0.081 0.000 2.476 197 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 197 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 197 G C 1.542 176.455 174.900 0.022 0.000 1.164 197 G CA 1.081 46.212 45.100 0.052 0.000 0.768 197 G HN 0.529 nan 8.290 nan 0.000 0.560 198 Q N -0.097 119.718 119.800 0.025 0.000 2.096 198 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 198 Q C 3.031 179.038 176.000 0.011 0.000 0.982 198 Q CA 1.310 57.123 55.803 0.016 0.000 0.850 198 Q CB -0.260 28.490 28.738 0.019 0.000 0.901 198 Q HN 0.500 nan 8.270 nan 0.000 0.422 199 A N -0.104 122.722 122.820 0.011 0.000 1.969 199 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 199 A C 2.236 179.816 177.584 -0.007 0.000 1.169 199 A CA 1.112 53.153 52.037 0.007 0.000 0.635 199 A CB -0.514 18.492 19.000 0.009 0.000 0.810 199 A HN 0.230 nan 8.150 nan 0.000 0.445 200 V N 0.043 119.942 119.914 -0.026 0.000 2.295 200 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 200 V C 2.397 178.479 176.094 -0.020 0.000 1.049 200 V CA 2.134 64.408 62.300 -0.042 0.000 1.024 200 V CB -0.704 31.082 31.823 -0.061 0.000 0.648 200 V HN 0.575 nan 8.190 nan 0.000 0.447 201 I N -0.156 120.410 120.570 -0.007 0.000 2.127 201 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 201 I C 2.768 178.885 176.117 0.001 0.000 1.075 201 I CA 1.893 63.193 61.300 -0.001 0.000 1.334 201 I CB -0.434 37.568 38.000 0.003 0.000 1.040 201 I HN 0.392 nan 8.210 nan 0.000 0.405 202 Q N 0.288 120.090 119.800 0.005 0.000 2.050 202 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 202 Q C 2.389 178.398 176.000 0.015 0.000 0.980 202 Q CA 1.677 57.486 55.803 0.010 0.000 0.840 202 Q CB -0.320 28.426 28.738 0.014 0.000 0.898 202 Q HN 0.513 nan 8.270 nan 0.000 0.424 203 I N 1.259 121.840 120.570 0.018 0.000 2.179 203 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 203 I C 2.552 178.673 176.117 0.006 0.000 1.088 203 I CA 1.080 62.401 61.300 0.034 0.000 1.357 203 I CB -0.492 37.544 38.000 0.059 0.000 1.051 203 I HN 0.163 nan 8.210 nan 0.000 0.409 204 A N 0.732 123.543 122.820 -0.014 0.000 1.917 204 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 204 A C 2.535 180.115 177.584 -0.006 0.000 1.182 204 A CA 2.161 54.185 52.037 -0.021 0.000 0.633 204 A CB -1.005 17.984 19.000 -0.019 0.000 0.819 204 A HN 0.447 nan 8.150 nan 0.000 0.448 205 A N -0.151 122.670 122.820 0.001 0.000 1.858 205 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 205 A C 2.518 180.106 177.584 0.007 0.000 1.190 205 A CA 2.238 54.277 52.037 0.003 0.000 0.617 205 A CB -1.180 17.822 19.000 0.003 0.000 0.827 205 A HN 1.218 nan 8.150 nan 0.000 0.443 206 A N -1.387 121.441 122.820 0.013 0.000 2.076 206 A HA 0.019 4.338 4.320 -0.000 0.000 0.220 206 A C 1.777 179.373 177.584 0.019 0.000 1.160 206 A CA 1.535 53.584 52.037 0.020 0.000 0.653 206 A CB -0.342 18.677 19.000 0.032 0.000 0.801 206 A HN 0.390 nan 8.150 nan 0.000 0.455 207 L N -1.571 119.659 121.223 0.010 0.000 2.567 207 L HA 0.251 4.591 4.340 -0.000 0.000 0.225 207 L C 1.736 178.605 176.870 -0.002 0.000 1.119 207 L CA 1.077 55.917 54.840 -0.001 0.000 0.871 207 L CB -0.680 41.362 42.059 -0.028 0.000 1.036 207 L HN 0.648 nan 8.230 nan 0.000 0.459 208 G N -0.629 108.172 108.800 0.003 0.000 2.136 208 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 208 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 208 G C 0.397 175.301 174.900 0.008 0.000 0.989 208 G CA 0.456 45.559 45.100 0.005 0.000 0.682 208 G HN 0.305 nan 8.290 nan 0.000 0.522 209 L N -0.969 120.257 121.223 0.005 0.000 2.431 209 L HA 0.711 5.051 4.340 -0.000 0.000 0.260 209 L C 1.035 177.921 176.870 0.027 0.000 1.098 209 L CA -1.022 53.826 54.840 0.013 0.000 0.800 209 L CB 0.712 42.772 42.059 0.002 0.000 1.210 209 L HN 0.064 nan 8.230 nan 0.000 0.465 210 R N 0.136 120.665 120.500 0.048 0.000 2.360 210 R HA 0.370 4.710 4.340 -0.000 0.000 0.318 210 R C -0.673 175.680 176.300 0.089 0.000 0.950 210 R CA -0.501 55.643 56.100 0.072 0.000 0.837 210 R CB 1.623 31.986 30.300 0.104 0.000 1.165 210 R HN 0.672 nan 8.270 nan 0.000 0.458 211 T N 0.157 114.757 114.554 0.075 0.000 2.867 211 T HA 0.572 4.922 4.350 -0.000 0.000 0.282 211 T C 0.058 174.820 174.700 0.103 0.000 1.000 211 T CA -0.913 61.232 62.100 0.074 0.000 1.042 211 T CB 1.111 70.002 68.868 0.039 0.000 0.973 211 T HN 0.486 nan 8.240 nan 0.000 0.465 212 I N 1.010 121.627 120.570 0.079 0.000 2.420 212 I HA 0.477 4.647 4.170 -0.000 0.000 0.282 212 I C -1.114 175.022 176.117 0.031 0.000 1.019 212 I CA -1.007 60.317 61.300 0.040 0.000 1.130 212 I CB 1.126 39.056 38.000 -0.117 0.000 1.262 212 I HN 0.604 nan 8.210 nan 0.000 0.454 213 N N 6.413 125.134 118.700 0.035 0.000 2.437 213 N HA 0.346 5.086 4.740 -0.000 0.000 0.259 213 N C -0.923 174.591 175.510 0.005 0.000 0.983 213 N CA -0.627 52.436 53.050 0.022 0.000 0.937 213 N CB 2.551 41.051 38.487 0.021 0.000 1.122 213 N HN 0.414 nan 8.380 nan 0.000 0.499 214 V N 2.703 122.617 119.914 -0.000 0.000 2.385 214 V HA 0.176 4.296 4.120 -0.000 0.000 0.269 214 V C 0.666 176.747 176.094 -0.021 0.000 1.043 214 V CA -0.688 61.603 62.300 -0.016 0.000 0.906 214 V CB 0.925 32.738 31.823 -0.017 0.000 0.995 214 V HN 0.442 nan 8.190 nan 0.000 0.467 215 V N 3.099 122.995 119.914 -0.030 0.000 2.732 215 V HA 0.657 4.777 4.120 -0.000 0.000 0.310 215 V C 0.201 176.260 176.094 -0.058 0.000 1.053 215 V CA -1.210 61.062 62.300 -0.047 0.000 0.957 215 V CB 1.468 33.264 31.823 -0.044 0.000 1.018 215 V HN 0.770 nan 8.190 nan 0.000 0.452 216 R N 1.475 121.919 120.500 -0.093 0.000 2.738 216 R HA 0.200 4.540 4.340 -0.000 0.000 0.268 216 R C -0.120 176.148 176.300 -0.054 0.000 1.062 216 R CA -0.188 55.858 56.100 -0.091 0.000 1.158 216 R CB 0.247 30.436 30.300 -0.184 0.000 1.046 216 R HN 0.840 nan 8.270 nan 0.000 0.493 217 D N 2.293 122.695 120.400 0.003 0.000 2.389 217 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 217 D C 0.143 176.517 176.300 0.123 0.000 1.128 217 D CA 0.587 54.614 54.000 0.045 0.000 0.884 217 D CB 0.920 41.751 40.800 0.051 0.000 1.194 217 D HN 0.401 nan 8.370 nan 0.000 0.441 218 R N 1.720 122.292 120.500 0.119 0.000 2.692 218 R HA 0.281 4.621 4.340 -0.000 0.000 0.269 218 R C -2.556 173.815 176.300 0.118 0.000 1.030 218 R CA -1.198 55.025 56.100 0.206 0.000 0.882 218 R CB 0.919 31.345 30.300 0.210 0.000 1.250 218 R HN -0.037 nan 8.270 nan 0.000 0.465 219 P HA -0.203 nan 4.420 nan 0.000 0.219 219 P C -0.113 177.215 177.300 0.047 0.000 1.158 219 P CA 1.739 64.874 63.100 0.059 0.000 0.895 219 P CB 0.064 31.794 31.700 0.051 0.000 0.792 220 D N -1.750 118.681 120.400 0.052 0.000 2.613 220 D HA 0.117 4.757 4.640 -0.000 0.000 0.312 220 D C 1.098 177.417 176.300 0.031 0.000 1.202 220 D CA -0.220 53.801 54.000 0.035 0.000 0.825 220 D CB -0.463 40.355 40.800 0.030 0.000 1.113 220 D HN -0.008 nan 8.370 nan 0.000 0.502 221 I N -0.522 120.065 120.570 0.029 0.000 3.010 221 I HA -0.144 4.026 4.170 -0.000 0.000 0.271 221 I C 1.824 177.948 176.117 0.012 0.000 1.293 221 I CA 0.560 61.870 61.300 0.017 0.000 1.452 221 I CB -0.188 37.819 38.000 0.012 0.000 1.082 221 I HN 0.196 nan 8.210 nan 0.000 0.484 222 Q N 2.080 121.889 119.800 0.015 0.000 2.245 222 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 222 Q C 2.031 178.037 176.000 0.010 0.000 0.955 222 Q CA 1.453 57.264 55.803 0.012 0.000 0.870 222 Q CB 0.009 28.755 28.738 0.013 0.000 0.945 222 Q HN 0.431 nan 8.270 nan 0.000 0.461 223 K N -0.294 120.113 120.400 0.012 0.000 2.031 223 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 223 K C 1.967 178.571 176.600 0.006 0.000 1.049 223 K CA 0.971 57.264 56.287 0.010 0.000 0.939 223 K CB -0.248 32.261 32.500 0.014 0.000 0.717 223 K HN 0.262 nan 8.250 nan 0.000 0.438 224 L N 0.834 122.060 121.223 0.005 0.000 1.971 224 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 224 L C 2.572 179.441 176.870 -0.002 0.000 1.072 224 L CA 1.649 56.488 54.840 -0.001 0.000 0.758 224 L CB -0.626 41.428 42.059 -0.008 0.000 0.889 224 L HN 0.266 nan 8.230 nan 0.000 0.433 225 S N 0.006 115.706 115.700 -0.000 0.000 2.378 225 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 225 S C 1.414 176.012 174.600 -0.002 0.000 1.052 225 S CA 2.370 60.571 58.200 0.000 0.000 1.084 225 S CB -0.402 62.801 63.200 0.005 0.000 0.950 225 S HN 0.563 nan 8.310 nan 0.000 0.440 226 D N 0.288 120.688 120.400 -0.001 0.000 2.178 226 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 226 D C 2.319 178.617 176.300 -0.004 0.000 0.980 226 D CA 0.820 54.818 54.000 -0.003 0.000 0.842 226 D CB -0.127 40.672 40.800 -0.001 0.000 0.948 226 D HN 0.303 nan 8.370 nan 0.000 0.472 227 R N 0.187 120.686 120.500 -0.002 0.000 2.075 227 R HA -0.061 4.279 4.340 -0.000 0.000 0.230 227 R C 2.350 178.649 176.300 -0.003 0.000 1.140 227 R CA 0.907 57.006 56.100 -0.001 0.000 0.928 227 R CB -0.592 29.708 30.300 0.001 0.000 0.834 227 R HN 0.253 nan 8.270 nan 0.000 0.429 228 L N 0.607 121.828 121.223 -0.003 0.000 2.012 228 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 228 L C 2.560 179.425 176.870 -0.009 0.000 1.073 228 L CA 1.504 56.342 54.840 -0.004 0.000 0.748 228 L CB -0.496 41.561 42.059 -0.003 0.000 0.891 228 L HN 0.158 nan 8.230 nan 0.000 0.431 229 K N -0.074 120.318 120.400 -0.013 0.000 2.113 229 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 229 K C 2.112 178.699 176.600 -0.021 0.000 1.047 229 K CA 1.681 57.954 56.287 -0.024 0.000 0.928 229 K CB -0.038 32.446 32.500 -0.027 0.000 0.716 229 K HN 0.175 nan 8.250 nan 0.000 0.446 230 S N 0.291 115.983 115.700 -0.013 0.000 2.496 230 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 230 S C 1.245 175.841 174.600 -0.007 0.000 0.996 230 S CA 0.345 58.539 58.200 -0.010 0.000 0.927 230 S CB 0.071 63.267 63.200 -0.006 0.000 0.774 230 S HN 0.115 nan 8.310 nan 0.000 0.524 231 L N 0.708 121.928 121.223 -0.005 0.000 2.418 231 L HA 0.284 4.624 4.340 -0.000 0.000 0.218 231 L C 1.731 178.599 176.870 -0.004 0.000 1.125 231 L CA 1.194 56.032 54.840 -0.002 0.000 0.835 231 L CB -0.616 41.444 42.059 0.001 0.000 0.953 231 L HN 0.452 nan 8.230 nan 0.000 0.454 232 G N -2.283 106.511 108.800 -0.010 0.000 2.318 232 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.172 232 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.172 232 G C 0.551 175.440 174.900 -0.019 0.000 1.002 232 G CA -0.151 44.941 45.100 -0.013 0.000 0.697 232 G HN 0.559 nan 8.290 nan 0.000 0.483 233 A N 0.831 123.641 122.820 -0.017 0.000 2.548 233 A HA 0.497 4.817 4.320 -0.000 0.000 0.247 233 A C 1.160 178.712 177.584 -0.054 0.000 1.067 233 A CA 1.444 53.470 52.037 -0.017 0.000 0.757 233 A CB 0.287 19.282 19.000 -0.007 0.000 0.996 233 A HN 0.537 nan 8.150 nan 0.000 0.504 234 E N 1.529 121.691 120.200 -0.063 0.000 2.112 234 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 234 E C -0.174 176.157 176.600 -0.448 0.000 0.979 234 E CA 0.738 57.013 56.400 -0.208 0.000 0.814 234 E CB 0.063 29.679 29.700 -0.141 0.000 0.762 234 E HN 0.846 nan 8.360 nan 0.000 0.460 235 H N -0.910 118.146 119.070 -0.024 0.000 2.806 235 H HA 0.368 4.924 4.556 -0.000 0.000 0.367 235 H C -1.271 174.042 175.328 -0.025 0.000 1.136 235 H CA -0.701 55.330 56.048 -0.027 0.000 1.178 235 H CB 2.036 31.766 29.762 -0.053 0.000 1.718 235 H HN -0.137 nan 8.280 nan 0.000 0.540 236 V N 5.012 124.981 119.914 0.091 0.000 2.444 236 V HA 0.352 4.472 4.120 -0.000 0.000 0.294 236 V C 0.092 176.207 176.094 0.035 0.000 1.022 236 V CA -0.616 61.709 62.300 0.043 0.000 0.850 236 V CB 2.052 33.886 31.823 0.018 0.000 0.992 236 V HN 0.605 nan 8.190 nan 0.000 0.426 237 I N 3.262 123.835 120.570 0.005 0.000 2.969 237 I HA 0.690 4.860 4.170 -0.000 0.000 0.307 237 I C -0.007 176.088 176.117 -0.038 0.000 1.149 237 I CA -0.246 61.039 61.300 -0.025 0.000 1.008 237 I CB 2.930 40.890 38.000 -0.066 0.000 1.232 237 I HN 0.635 nan 8.210 nan 0.000 0.435 238 T N 3.044 117.569 114.554 -0.049 0.000 2.847 238 T HA 0.258 4.608 4.350 -0.000 0.000 0.279 238 T C 1.013 175.681 174.700 -0.053 0.000 0.984 238 T CA -0.579 61.495 62.100 -0.043 0.000 0.988 238 T CB 1.101 69.948 68.868 -0.034 0.000 1.040 238 T HN 0.574 nan 8.240 nan 0.000 0.528 239 E N 0.680 120.856 120.200 -0.040 0.000 2.077 239 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 239 E C 2.129 178.702 176.600 -0.045 0.000 0.989 239 E CA 1.378 57.755 56.400 -0.038 0.000 0.800 239 E CB -0.259 29.425 29.700 -0.025 0.000 0.746 239 E HN 0.862 nan 8.360 nan 0.000 0.452 240 E N 1.884 122.060 120.200 -0.040 0.000 2.012 240 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 240 E C 1.752 178.306 176.600 -0.076 0.000 1.007 240 E CA 1.960 58.333 56.400 -0.044 0.000 0.816 240 E CB -0.331 29.351 29.700 -0.030 0.000 0.762 240 E HN 0.252 nan 8.360 nan 0.000 0.451 241 E N -0.027 120.115 120.200 -0.098 0.000 2.273 241 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 241 E C 2.172 178.633 176.600 -0.231 0.000 1.002 241 E CA 1.123 57.421 56.400 -0.169 0.000 0.828 241 E CB -0.325 29.267 29.700 -0.181 0.000 0.747 241 E HN 0.367 nan 8.360 nan 0.000 0.491 242 L N 1.016 122.141 121.223 -0.163 0.000 2.209 242 L HA -0.043 4.296 4.340 -0.000 0.000 0.207 242 L C 1.743 178.549 176.870 -0.106 0.000 1.094 242 L CA 1.187 55.937 54.840 -0.149 0.000 0.790 242 L CB 0.183 42.186 42.059 -0.095 0.000 0.932 242 L HN -0.105 nan 8.230 nan 0.000 0.447 243 R N 0.319 120.770 120.500 -0.081 0.000 2.356 243 R HA 0.180 4.520 4.340 -0.000 0.000 0.234 243 R C 0.386 176.655 176.300 -0.052 0.000 0.929 243 R CA -0.136 55.932 56.100 -0.053 0.000 1.084 243 R CB -0.398 29.880 30.300 -0.036 0.000 1.105 243 R HN 0.433 nan 8.270 nan 0.000 0.515 244 R N 1.365 121.818 120.500 -0.078 0.000 2.650 244 R HA 0.164 4.503 4.340 -0.000 0.000 0.232 244 R C -1.264 175.010 176.300 -0.042 0.000 1.247 244 R CA -1.345 54.718 56.100 -0.062 0.000 1.061 244 R CB -0.270 29.978 30.300 -0.087 0.000 1.279 244 R HN -0.103 nan 8.270 nan 0.000 0.549 245 P HA 0.056 nan 4.420 nan 0.000 0.232 245 P C -0.323 176.991 177.300 0.023 0.000 1.170 245 P CA 0.633 63.735 63.100 0.004 0.000 0.824 245 P CB 0.321 32.030 31.700 0.016 0.000 0.896 246 E N 0.412 120.628 120.200 0.026 0.000 2.443 246 E HA 0.096 4.446 4.350 -0.000 0.000 0.310 246 E C 0.734 177.359 176.600 0.042 0.000 1.202 246 E CA 0.334 56.806 56.400 0.120 0.000 1.301 246 E CB -0.315 29.519 29.700 0.224 0.000 1.104 246 E HN 0.236 nan 8.360 nan 0.000 0.487 247 M N -0.637 119.004 119.600 0.068 0.000 1.957 247 M HA 0.040 4.520 4.480 -0.000 0.000 0.281 247 M C 1.097 177.487 176.300 0.149 0.000 1.076 247 M CA 0.257 55.586 55.300 0.049 0.000 1.083 247 M CB 0.246 32.825 32.600 -0.034 0.000 1.933 247 M HN 0.094 nan 8.290 nan 0.000 0.667 248 K N 0.660 121.129 120.400 0.115 0.000 2.519 248 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 248 K C 0.841 177.519 176.600 0.130 0.000 1.041 248 K CA 0.804 57.156 56.287 0.107 0.000 0.954 248 K CB 0.182 32.723 32.500 0.069 0.000 0.774 248 K HN 0.384 nan 8.250 nan 0.000 0.480 249 N N -0.813 117.992 118.700 0.175 0.000 2.325 249 N HA 0.061 4.801 4.740 -0.000 0.000 0.220 249 N C 1.284 176.893 175.510 0.165 0.000 1.176 249 N CA 0.008 53.147 53.050 0.147 0.000 0.861 249 N CB 0.100 38.648 38.487 0.103 0.000 1.230 249 N HN -0.022 nan 8.380 nan 0.000 0.479 250 F N 1.240 121.197 119.950 0.011 0.000 2.126 250 F HA -0.035 4.492 4.527 -0.000 0.000 0.299 250 F C 0.860 176.621 175.800 -0.064 0.000 1.096 250 F CA 0.987 58.953 58.000 -0.058 0.000 1.255 250 F CB -0.162 38.769 39.000 -0.115 0.000 0.997 250 F HN -0.073 nan 8.300 nan 0.000 0.479 251 F N 1.340 121.357 119.950 0.111 0.000 2.567 251 F HA 0.219 4.746 4.527 -0.000 0.000 0.352 251 F C 1.072 176.880 175.800 0.013 0.000 1.229 251 F CA -0.260 57.756 58.000 0.026 0.000 1.228 251 F CB -0.313 38.700 39.000 0.022 0.000 1.568 251 F HN -0.113 nan 8.300 nan 0.000 0.634 252 K N 0.595 121.123 120.400 0.212 0.000 2.770 252 K HA 0.020 4.340 4.320 -0.000 0.000 0.195 252 K C 1.127 177.777 176.600 0.083 0.000 1.515 252 K CA 0.184 56.539 56.287 0.113 0.000 1.199 252 K CB 0.554 33.089 32.500 0.058 0.000 1.681 252 K HN 0.272 nan 8.250 nan 0.000 0.586 253 D N 2.037 122.477 120.400 0.066 0.000 2.084 253 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 253 D C 1.398 177.748 176.300 0.085 0.000 0.981 253 D CA 0.982 55.012 54.000 0.049 0.000 0.841 253 D CB -0.133 40.678 40.800 0.019 0.000 0.997 253 D HN 0.266 nan 8.370 nan 0.000 0.454 254 M N 1.073 120.751 119.600 0.129 0.000 2.227 254 M HA 0.400 4.880 4.480 -0.000 0.000 0.316 254 M C -2.517 173.911 176.300 0.213 0.000 1.144 254 M CA -1.710 53.691 55.300 0.169 0.000 1.121 254 M CB 0.021 32.739 32.600 0.196 0.000 1.440 254 M HN -0.285 nan 8.290 nan 0.000 0.473 255 P HA 0.128 nan 4.420 nan 0.000 0.275 255 P C -1.252 176.022 177.300 -0.043 0.000 1.228 255 P CA -0.044 63.087 63.100 0.053 0.000 0.786 255 P CB 0.617 32.340 31.700 0.039 0.000 0.927 256 Q N 2.720 122.334 119.800 -0.309 0.000 2.392 256 Q HA 0.195 4.535 4.340 -0.000 0.000 0.262 256 Q C -1.886 173.893 176.000 -0.369 0.000 1.003 256 Q CA -1.328 54.033 55.803 -0.736 0.000 0.888 256 Q CB 0.140 28.560 28.738 -0.530 0.000 1.260 256 Q HN 0.392 nan 8.270 nan 0.000 0.435 257 P HA 0.150 nan 4.420 nan 0.000 0.284 257 P C -0.588 176.666 177.300 -0.077 0.000 1.253 257 P CA -0.345 62.710 63.100 -0.075 0.000 0.800 257 P CB 1.036 32.773 31.700 0.062 0.000 0.961 258 R N 1.248 121.726 120.500 -0.038 0.000 2.276 258 R HA 0.207 4.547 4.340 -0.000 0.000 0.196 258 R C 0.308 176.603 176.300 -0.009 0.000 0.961 258 R CA 0.041 56.125 56.100 -0.026 0.000 1.024 258 R CB -0.654 29.639 30.300 -0.013 0.000 0.940 258 R HN 0.391 nan 8.270 nan 0.000 0.480 259 L N 0.360 121.580 121.223 -0.004 0.000 2.362 259 L HA 0.643 4.983 4.340 -0.000 0.000 0.275 259 L C -1.294 175.576 176.870 -0.000 0.000 0.998 259 L CA -0.800 54.038 54.840 -0.005 0.000 0.820 259 L CB 1.996 44.051 42.059 -0.005 0.000 1.270 259 L HN 0.037 nan 8.230 nan 0.000 0.415 260 A N 5.836 128.648 122.820 -0.014 0.000 2.356 260 A HA 0.772 5.091 4.320 -0.000 0.000 0.310 260 A C -1.495 176.082 177.584 -0.013 0.000 1.075 260 A CA -0.489 51.549 52.037 0.002 0.000 0.746 260 A CB 0.973 19.978 19.000 0.008 0.000 1.221 260 A HN 0.653 nan 8.150 nan 0.000 0.443 261 L N 2.752 123.986 121.223 0.018 0.000 2.295 261 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 261 L C -0.158 176.806 176.870 0.157 0.000 1.018 261 L CA -0.625 54.252 54.840 0.062 0.000 0.841 261 L CB 1.256 43.324 42.059 0.015 0.000 1.218 261 L HN 0.800 nan 8.230 nan 0.000 0.424 262 N N 1.705 120.491 118.700 0.143 0.000 2.421 262 N HA 0.280 5.020 4.740 -0.000 0.000 0.285 262 N C 0.003 175.457 175.510 -0.092 0.000 1.027 262 N CA -0.355 52.725 53.050 0.050 0.000 0.918 262 N CB 1.754 40.238 38.487 -0.005 0.000 1.152 262 N HN 0.638 nan 8.380 nan 0.000 0.485 263 C N 2.561 121.737 119.300 -0.207 0.000 3.730 263 C HA 0.341 4.801 4.460 -0.000 0.000 0.397 263 C C 1.581 176.430 174.990 -0.235 0.000 1.468 263 C CA -0.006 58.746 59.018 -0.443 0.000 1.931 263 C CB -0.613 26.770 27.740 -0.595 0.000 2.773 263 C HN 0.643 nan 8.230 nan 0.000 0.692 264 V N 1.521 121.353 119.914 -0.136 0.000 2.326 264 V HA 0.460 4.580 4.120 -0.000 0.000 0.237 264 V C 1.663 177.712 176.094 -0.074 0.000 1.044 264 V CA 1.796 64.041 62.300 -0.092 0.000 1.035 264 V CB -1.362 30.423 31.823 -0.063 0.000 0.675 264 V HN 0.811 nan 8.190 nan 0.000 0.470 265 G N -1.295 107.469 108.800 -0.060 0.000 2.500 265 G HA2 0.382 4.341 3.960 -0.000 0.000 0.209 265 G HA3 0.382 4.341 3.960 -0.000 0.000 0.209 265 G C 0.453 175.333 174.900 -0.033 0.000 1.283 265 G CA -0.468 44.603 45.100 -0.047 0.000 0.960 265 G HN 1.730 nan 8.290 nan 0.000 0.528 266 G N -0.476 108.307 108.800 -0.028 0.000 2.581 266 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.291 266 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.291 266 G C 1.102 175.992 174.900 -0.017 0.000 1.277 266 G CA 1.416 46.503 45.100 -0.021 0.000 0.959 266 G HN 1.513 nan 8.290 nan 0.000 0.554 267 K N -0.175 120.217 120.400 -0.014 0.000 2.147 267 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 267 K C 3.045 179.637 176.600 -0.013 0.000 1.049 267 K CA 1.727 58.007 56.287 -0.012 0.000 0.936 267 K CB -0.330 32.164 32.500 -0.010 0.000 0.722 267 K HN 0.418 nan 8.250 nan 0.000 0.446 268 S N 0.406 116.096 115.700 -0.017 0.000 2.368 268 S HA -0.157 4.312 4.470 -0.000 0.000 0.225 268 S C 1.970 176.561 174.600 -0.015 0.000 1.030 268 S CA 1.931 60.120 58.200 -0.018 0.000 0.999 268 S CB -0.280 62.906 63.200 -0.023 0.000 0.844 268 S HN 0.445 nan 8.310 nan 0.000 0.459 269 S N -0.084 115.605 115.700 -0.019 0.000 2.428 269 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 269 S C 1.744 176.337 174.600 -0.010 0.000 1.014 269 S CA 1.420 59.610 58.200 -0.017 0.000 0.957 269 S CB -1.024 62.160 63.200 -0.025 0.000 0.784 269 S HN 0.602 nan 8.310 nan 0.000 0.499 270 T N 1.438 115.986 114.554 -0.009 0.000 2.985 270 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 270 T C 1.612 176.312 174.700 0.000 0.000 1.076 270 T CA 0.904 63.001 62.100 -0.005 0.000 1.135 270 T CB -0.188 68.677 68.868 -0.005 0.000 0.890 270 T HN 0.275 nan 8.240 nan 0.000 0.480 271 E N 1.102 121.301 120.200 -0.001 0.000 2.158 271 E HA 0.141 4.491 4.350 -0.000 0.000 0.191 271 E C 2.152 178.761 176.600 0.015 0.000 0.982 271 E CA 0.333 56.735 56.400 0.003 0.000 0.823 271 E CB -0.350 29.346 29.700 -0.008 0.000 0.766 271 E HN 0.407 nan 8.360 nan 0.000 0.468 272 L N 0.001 121.231 121.223 0.013 0.000 2.056 272 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 272 L C 2.246 179.130 176.870 0.025 0.000 1.078 272 L CA 0.590 55.445 54.840 0.025 0.000 0.749 272 L CB -0.290 41.779 42.059 0.016 0.000 0.901 272 L HN 0.202 nan 8.230 nan 0.000 0.433 273 L N 0.108 121.338 121.223 0.011 0.000 2.042 273 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 273 L C 2.634 179.510 176.870 0.010 0.000 1.076 273 L CA 1.763 56.606 54.840 0.006 0.000 0.749 273 L CB -0.805 41.254 42.059 0.000 0.000 0.893 273 L HN 0.133 nan 8.230 nan 0.000 0.432 274 R N -1.144 119.366 120.500 0.017 0.000 2.152 274 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 274 R C 1.923 178.240 176.300 0.029 0.000 1.117 274 R CA 0.940 57.053 56.100 0.023 0.000 0.981 274 R CB 0.015 30.330 30.300 0.025 0.000 0.870 274 R HN 0.461 nan 8.270 nan 0.000 0.451 275 Q N 0.017 119.847 119.800 0.050 0.000 2.451 275 Q HA 0.061 4.401 4.340 -0.000 0.000 0.206 275 Q C 0.353 176.323 176.000 -0.051 0.000 0.947 275 Q CA 0.377 56.226 55.803 0.076 0.000 0.937 275 Q CB 0.193 29.071 28.738 0.233 0.000 1.025 275 Q HN 0.354 nan 8.270 nan 0.000 0.511 276 L N 1.070 122.269 121.223 -0.041 0.000 2.461 276 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 276 L C 0.514 177.320 176.870 -0.107 0.000 1.197 276 L CA -0.529 54.267 54.840 -0.074 0.000 0.836 276 L CB 0.470 42.509 42.059 -0.034 0.000 1.105 276 L HN 0.025 nan 8.230 nan 0.000 0.477 277 A N 3.974 126.718 122.820 -0.127 0.000 2.313 277 A HA 0.357 4.677 4.320 -0.000 0.000 0.261 277 A C 0.193 177.744 177.584 -0.055 0.000 1.090 277 A CA -0.459 51.513 52.037 -0.109 0.000 0.807 277 A CB 0.248 19.177 19.000 -0.117 0.000 1.055 277 A HN 0.770 nan 8.150 nan 0.000 0.492 278 R N -0.270 120.208 120.500 -0.036 0.000 2.583 278 R HA 0.278 4.618 4.340 -0.000 0.000 0.274 278 R C 1.357 177.651 176.300 -0.011 0.000 0.998 278 R CA 1.619 57.711 56.100 -0.012 0.000 1.081 278 R CB -0.025 30.274 30.300 -0.001 0.000 0.940 278 R HN 1.570 nan 8.270 nan 0.000 0.413 279 G N 1.662 110.460 108.800 -0.003 0.000 2.179 279 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 279 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 279 G C 0.487 175.389 174.900 0.003 0.000 0.977 279 G CA -0.109 44.992 45.100 0.002 0.000 0.641 279 G HN 0.910 nan 8.290 nan 0.000 0.533 280 G N -0.747 108.049 108.800 -0.007 0.000 2.606 280 G HA2 0.555 4.515 3.960 -0.000 0.000 0.252 280 G HA3 0.555 4.515 3.960 -0.000 0.000 0.252 280 G C -0.028 174.874 174.900 0.003 0.000 1.206 280 G CA 0.765 45.861 45.100 -0.006 0.000 0.861 280 G HN 0.613 nan 8.290 nan 0.000 0.561 281 T N 0.742 115.301 114.554 0.008 0.000 2.829 281 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 281 T C -0.132 174.547 174.700 -0.036 0.000 0.999 281 T CA -0.309 61.792 62.100 0.002 0.000 0.983 281 T CB 1.563 70.456 68.868 0.042 0.000 0.968 281 T HN 0.512 nan 8.240 nan 0.000 0.446 282 M N 3.937 123.506 119.600 -0.052 0.000 2.114 282 M HA 0.571 5.051 4.480 -0.000 0.000 0.332 282 M C -1.600 174.627 176.300 -0.121 0.000 1.014 282 M CA -0.628 54.633 55.300 -0.065 0.000 0.956 282 M CB 0.652 33.232 32.600 -0.034 0.000 1.551 282 M HN 0.322 nan 8.290 nan 0.000 0.427 283 V N 4.270 124.074 119.914 -0.184 0.000 2.394 283 V HA 0.415 4.535 4.120 -0.000 0.000 0.282 283 V C 0.052 176.115 176.094 -0.052 0.000 1.031 283 V CA -0.479 61.658 62.300 -0.271 0.000 0.881 283 V CB 1.542 33.004 31.823 -0.602 0.000 0.982 283 V HN 0.852 nan 8.190 nan 0.000 0.451 284 T N 5.251 119.802 114.554 -0.005 0.000 2.749 284 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 284 T C 0.106 174.905 174.700 0.165 0.000 0.970 284 T CA -0.033 62.100 62.100 0.056 0.000 0.980 284 T CB 0.343 69.204 68.868 -0.012 0.000 0.924 284 T HN 0.766 nan 8.240 nan 0.000 0.456 285 Y N 1.265 121.587 120.300 0.037 0.000 2.612 285 Y HA 0.702 5.251 4.550 -0.000 0.000 0.250 285 Y C 0.453 176.397 175.900 0.073 0.000 1.175 285 Y CA -0.746 57.420 58.100 0.109 0.000 1.205 285 Y CB 0.211 38.779 38.460 0.180 0.000 1.201 285 Y HN 0.767 nan 8.280 nan 0.000 0.532 286 G N -1.212 107.424 108.800 -0.272 0.000 2.321 286 G HA2 0.533 4.493 3.960 -0.000 0.000 0.296 286 G HA3 0.533 4.493 3.960 -0.000 0.000 0.296 286 G C -0.552 174.218 174.900 -0.217 0.000 1.287 286 G CA 0.057 45.007 45.100 -0.249 0.000 0.846 286 G HN 0.997 nan 8.290 nan 0.000 0.508 287 G N -1.493 107.212 108.800 -0.158 0.000 2.334 287 G HA2 0.456 4.416 3.960 -0.000 0.000 0.315 287 G HA3 0.456 4.416 3.960 -0.000 0.000 0.315 287 G C -0.489 174.366 174.900 -0.075 0.000 1.284 287 G CA -0.331 44.699 45.100 -0.117 0.000 0.985 287 G HN 0.820 nan 8.290 nan 0.000 0.504 288 M N 0.926 120.491 119.600 -0.059 0.000 2.235 288 M HA 0.442 4.922 4.480 -0.000 0.000 0.351 288 M C 1.710 177.983 176.300 -0.045 0.000 1.178 288 M CA 0.317 55.592 55.300 -0.042 0.000 1.143 288 M CB 1.401 33.982 32.600 -0.031 0.000 1.530 288 M HN 1.131 nan 8.290 nan 0.000 0.461 289 A N 2.751 125.547 122.820 -0.039 0.000 2.121 289 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 289 A C 1.708 179.271 177.584 -0.036 0.000 1.154 289 A CA 1.445 53.456 52.037 -0.043 0.000 0.679 289 A CB -0.173 18.803 19.000 -0.040 0.000 0.795 289 A HN 0.843 nan 8.150 nan 0.000 0.458 290 K N -0.746 119.637 120.400 -0.029 0.000 2.414 290 K HA 0.178 4.498 4.320 -0.000 0.000 0.204 290 K C 0.128 176.713 176.600 -0.024 0.000 1.026 290 K CA 0.018 56.291 56.287 -0.024 0.000 1.108 290 K CB 0.384 32.873 32.500 -0.017 0.000 0.855 290 K HN 0.239 nan 8.250 nan 0.000 0.517 291 Q N 1.553 121.335 119.800 -0.030 0.000 2.928 291 Q HA 0.177 4.517 4.340 -0.000 0.000 0.353 291 Q C -2.570 173.408 176.000 -0.037 0.000 0.870 291 Q CA -1.679 54.106 55.803 -0.030 0.000 0.963 291 Q CB 1.423 30.143 28.738 -0.030 0.000 1.419 291 Q HN 0.202 nan 8.270 nan 0.000 0.396 292 P HA -0.022 nan 4.420 nan 0.000 0.272 292 P C 0.106 177.385 177.300 -0.035 0.000 1.243 292 P CA -0.127 62.951 63.100 -0.037 0.000 0.803 292 P CB 1.009 32.690 31.700 -0.032 0.000 0.974 293 V N 0.566 120.460 119.914 -0.034 0.000 2.509 293 V HA 0.183 4.303 4.120 -0.000 0.000 0.284 293 V C 0.319 176.398 176.094 -0.024 0.000 1.047 293 V CA -0.451 61.831 62.300 -0.030 0.000 0.952 293 V CB 1.584 33.388 31.823 -0.031 0.000 0.988 293 V HN 0.227 nan 8.190 nan 0.000 0.469 294 V N 4.005 123.907 119.914 -0.020 0.000 2.357 294 V HA 0.748 4.868 4.120 -0.000 0.000 0.284 294 V C 0.229 176.315 176.094 -0.014 0.000 1.018 294 V CA -0.593 61.697 62.300 -0.016 0.000 0.841 294 V CB 1.365 33.180 31.823 -0.013 0.000 0.991 294 V HN 0.949 nan 8.190 nan 0.000 0.437 295 A N 3.501 126.312 122.820 -0.015 0.000 2.287 295 A HA 0.718 5.038 4.320 -0.000 0.000 0.317 295 A C 0.313 177.889 177.584 -0.013 0.000 1.220 295 A CA -0.379 51.649 52.037 -0.014 0.000 0.835 295 A CB 1.173 20.162 19.000 -0.018 0.000 1.180 295 A HN 1.020 nan 8.150 nan 0.000 0.500 296 S N 2.621 118.317 115.700 -0.007 0.000 2.549 296 S HA 0.188 4.657 4.470 -0.000 0.000 0.283 296 S C 1.254 175.846 174.600 -0.014 0.000 1.320 296 S CA -0.097 58.102 58.200 -0.002 0.000 1.058 296 S CB 0.638 63.845 63.200 0.012 0.000 0.882 296 S HN 0.820 nan 8.310 nan 0.000 0.498 297 V N 4.341 124.245 119.914 -0.016 0.000 2.287 297 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 297 V C 2.919 178.965 176.094 -0.079 0.000 1.053 297 V CA 2.507 64.780 62.300 -0.046 0.000 1.027 297 V CB -1.305 30.500 31.823 -0.031 0.000 0.646 297 V HN 1.076 nan 8.190 nan 0.000 0.447 298 S N -0.798 114.902 115.700 -0.000 0.000 2.399 298 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 298 S C 1.930 176.563 174.600 0.055 0.000 1.022 298 S CA 1.501 59.750 58.200 0.082 0.000 0.983 298 S CB -0.324 63.021 63.200 0.243 0.000 0.803 298 S HN 0.528 nan 8.310 nan 0.000 0.480 299 L N 0.375 121.612 121.223 0.023 0.000 2.072 299 L HA 0.054 4.394 4.340 -0.000 0.000 0.205 299 L C 2.507 179.361 176.870 -0.027 0.000 1.079 299 L CA 0.911 55.761 54.840 0.017 0.000 0.752 299 L CB -0.399 41.667 42.059 0.012 0.000 0.906 299 L HN 0.341 nan 8.230 nan 0.000 0.436 300 L N -0.577 120.609 121.223 -0.062 0.000 2.056 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 300 L C 2.350 179.142 176.870 -0.131 0.000 1.078 300 L CA 1.268 56.061 54.840 -0.077 0.000 0.749 300 L CB -0.260 41.754 42.059 -0.075 0.000 0.901 300 L HN 0.197 nan 8.230 nan 0.000 0.433 301 I N -1.077 119.342 120.570 -0.251 0.000 2.185 301 I HA -0.229 3.940 4.170 -0.000 0.000 0.235 301 I C 2.130 178.007 176.117 -0.400 0.000 1.069 301 I CA 1.338 62.377 61.300 -0.435 0.000 1.354 301 I CB -0.365 37.185 38.000 -0.751 0.000 1.093 301 I HN 0.046 nan 8.210 nan 0.000 0.411 302 F N 0.807 120.755 119.950 -0.003 0.000 2.558 302 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 302 F C 2.146 177.942 175.800 -0.006 0.000 1.119 302 F CA 0.759 58.757 58.000 -0.004 0.000 1.451 302 F CB -0.511 38.486 39.000 -0.004 0.000 1.091 302 F HN -0.045 nan 8.300 nan 0.000 0.563 303 K N -0.114 120.340 120.400 0.091 0.000 2.355 303 K HA 0.058 4.378 4.320 -0.000 0.000 0.198 303 K C -0.095 176.514 176.600 0.016 0.000 1.039 303 K CA 0.217 56.537 56.287 0.054 0.000 1.075 303 K CB 0.143 32.669 32.500 0.043 0.000 0.870 303 K HN -0.057 nan 8.250 nan 0.000 0.540 304 D N 0.787 121.183 120.400 -0.007 0.000 2.689 304 D HA -0.202 4.438 4.640 -0.000 0.000 0.237 304 D C -1.081 175.214 176.300 -0.008 0.000 1.148 304 D CA 0.545 54.536 54.000 -0.014 0.000 0.656 304 D CB -1.028 39.771 40.800 -0.001 0.000 1.050 304 D HN 0.222 nan 8.370 nan 0.000 0.426 305 L N -0.072 121.143 121.223 -0.013 0.000 2.395 305 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 305 L C 0.988 177.855 176.870 -0.005 0.000 1.133 305 L CA -0.271 54.564 54.840 -0.008 0.000 0.812 305 L CB 0.842 42.895 42.059 -0.010 0.000 1.125 305 L HN -0.089 nan 8.230 nan 0.000 0.452 306 K N 2.581 122.984 120.400 0.004 0.000 2.259 306 K HA 0.683 5.003 4.320 -0.000 0.000 0.252 306 K C -1.336 175.267 176.600 0.005 0.000 0.936 306 K CA -0.268 56.028 56.287 0.015 0.000 0.810 306 K CB 1.890 34.415 32.500 0.041 0.000 1.143 306 K HN 0.265 nan 8.250 nan 0.000 0.427 307 L N 3.290 124.517 121.223 0.006 0.000 2.349 307 L HA 0.576 4.916 4.340 -0.000 0.000 0.278 307 L C -0.153 176.721 176.870 0.007 0.000 0.996 307 L CA -0.591 54.244 54.840 -0.008 0.000 0.825 307 L CB 1.194 43.246 42.059 -0.011 0.000 1.243 307 L HN 0.398 nan 8.230 nan 0.000 0.412 308 R N 1.467 121.953 120.500 -0.024 0.000 2.950 308 R HA 0.857 5.197 4.340 -0.000 0.000 0.253 308 R C -0.396 175.897 176.300 -0.012 0.000 1.168 308 R CA -1.072 55.037 56.100 0.016 0.000 1.014 308 R CB 1.778 32.117 30.300 0.064 0.000 1.228 308 R HN 0.675 nan 8.270 nan 0.000 0.487 309 G N -0.028 108.824 108.800 0.086 0.000 2.537 309 G HA2 0.678 4.638 3.960 -0.000 0.000 0.308 309 G HA3 0.678 4.638 3.960 -0.000 0.000 0.308 309 G C -1.839 173.239 174.900 0.297 0.000 1.237 309 G CA -0.362 44.812 45.100 0.122 0.000 0.968 309 G HN 0.304 nan 8.290 nan 0.000 0.481 310 F N 0.405 120.461 119.950 0.176 0.000 2.573 310 F HA 0.659 5.186 4.527 -0.000 0.000 0.316 310 F C -2.138 173.880 175.800 0.363 0.000 1.148 310 F CA -1.501 56.681 58.000 0.303 0.000 0.940 310 F CB 2.077 41.229 39.000 0.252 0.000 1.214 310 F HN 0.461 nan 8.300 nan 0.000 0.448 311 W N 8.962 129.846 121.300 -0.694 0.000 2.543 311 W HA 0.337 4.997 4.660 -0.000 0.000 0.318 311 W C -0.202 175.902 176.519 -0.692 0.000 1.002 311 W CA -1.491 55.572 57.345 -0.471 0.000 1.302 311 W CB 1.422 30.739 29.460 -0.238 0.000 1.299 311 W HN 0.627 nan 8.180 nan 0.000 0.424 312 L N 4.030 125.028 121.223 -0.375 0.000 2.043 312 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 312 L C 2.334 179.014 176.870 -0.317 0.000 1.075 312 L CA 2.889 57.578 54.840 -0.252 0.000 0.752 312 L CB -1.093 41.017 42.059 0.084 0.000 0.891 312 L HN 0.513 nan 8.230 nan 0.000 0.432 313 S N -1.472 113.874 115.700 -0.589 0.000 2.383 313 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 313 S C 2.004 176.112 174.600 -0.822 0.000 1.030 313 S CA 1.622 59.378 58.200 -0.740 0.000 1.002 313 S CB -0.253 62.425 63.200 -0.871 0.000 0.829 313 S HN 0.676 nan 8.310 nan 0.000 0.467 314 Q N -0.378 118.798 119.800 -1.040 0.000 2.083 314 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 314 Q C 1.654 177.511 176.000 -0.239 0.000 0.969 314 Q CA 1.792 57.238 55.803 -0.594 0.000 0.838 314 Q CB -0.668 27.863 28.738 -0.346 0.000 0.900 314 Q HN 0.777 nan 8.270 nan 0.000 0.436 315 W N 0.883 121.988 121.300 -0.325 0.000 2.363 315 W HA -0.106 4.554 4.660 -0.000 0.000 0.296 315 W C 1.472 177.947 176.519 -0.073 0.000 1.212 315 W CA 1.500 58.776 57.345 -0.116 0.000 1.260 315 W CB 0.134 29.516 29.460 -0.130 0.000 1.131 315 W HN 0.031 nan 8.180 nan 0.000 0.530 316 K N 0.160 120.563 120.400 0.005 0.000 2.217 316 K HA -0.164 4.156 4.320 -0.000 0.000 0.202 316 K C 2.057 178.501 176.600 -0.260 0.000 1.051 316 K CA 1.362 57.547 56.287 -0.170 0.000 0.952 316 K CB -0.214 32.146 32.500 -0.232 0.000 0.736 316 K HN 0.174 nan 8.250 nan 0.000 0.453 317 K N 0.884 121.130 120.400 -0.256 0.000 2.211 317 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 317 K C 0.605 177.068 176.600 -0.229 0.000 1.052 317 K CA 1.162 57.312 56.287 -0.228 0.000 0.973 317 K CB 0.300 32.656 32.500 -0.240 0.000 0.766 317 K HN -0.111 nan 8.250 nan 0.000 0.466 318 D N 0.226 120.476 120.400 -0.250 0.000 2.363 318 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 318 D C -0.241 175.737 176.300 -0.538 0.000 0.994 318 D CA 0.701 54.515 54.000 -0.309 0.000 0.890 318 D CB 0.119 40.774 40.800 -0.242 0.000 0.906 318 D HN 0.284 nan 8.370 nan 0.000 0.530 319 H N -1.527 117.211 119.070 -0.554 0.000 2.797 319 H HA 0.461 5.017 4.556 -0.000 0.000 0.362 319 H C 0.177 175.294 175.328 -0.352 0.000 1.183 319 H CA -0.950 54.746 56.048 -0.587 0.000 1.197 319 H CB 1.326 30.368 29.762 -1.200 0.000 1.835 319 H HN -0.208 nan 8.280 nan 0.000 0.567 320 S N 0.915 116.543 115.700 -0.120 0.000 2.614 320 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 320 S C -1.785 172.834 174.600 0.032 0.000 1.303 320 S CA -1.017 57.154 58.200 -0.047 0.000 1.000 320 S CB 1.360 64.546 63.200 -0.024 0.000 0.935 320 S HN 0.414 nan 8.310 nan 0.000 0.551 321 P HA -0.058 nan 4.420 nan 0.000 0.217 321 P C 0.863 178.242 177.300 0.131 0.000 1.150 321 P CA 1.080 64.256 63.100 0.127 0.000 0.832 321 P CB -0.022 31.724 31.700 0.076 0.000 0.787 322 D N -0.719 119.730 120.400 0.081 0.000 2.144 322 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 322 D C 1.990 178.357 176.300 0.112 0.000 0.984 322 D CA 1.102 55.144 54.000 0.070 0.000 0.834 322 D CB -0.175 40.653 40.800 0.046 0.000 0.955 322 D HN 0.303 nan 8.370 nan 0.000 0.465 323 Q N -0.685 119.204 119.800 0.148 0.000 2.167 323 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 323 Q C 1.895 178.150 176.000 0.425 0.000 0.970 323 Q CA 0.579 56.524 55.803 0.237 0.000 0.855 323 Q CB -0.040 28.812 28.738 0.190 0.000 0.911 323 Q HN 0.208 nan 8.270 nan 0.000 0.438 324 F N 1.561 121.635 119.950 0.207 0.000 2.206 324 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 324 F C 1.609 177.495 175.800 0.144 0.000 1.090 324 F CA 1.213 59.376 58.000 0.273 0.000 1.323 324 F CB -0.013 39.109 39.000 0.204 0.000 1.028 324 F HN -0.148 nan 8.300 nan 0.000 0.492 325 K N 0.180 120.573 120.400 -0.011 0.000 2.097 325 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 325 K C 1.936 178.490 176.600 -0.077 0.000 1.049 325 K CA 1.737 57.938 56.287 -0.143 0.000 0.933 325 K CB -0.184 32.278 32.500 -0.063 0.000 0.717 325 K HN 0.356 nan 8.250 nan 0.000 0.442 326 E N 0.770 120.984 120.200 0.023 0.000 2.047 326 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 326 E C 1.929 178.512 176.600 -0.030 0.000 0.987 326 E CA 0.783 57.194 56.400 0.019 0.000 0.799 326 E CB -0.064 29.683 29.700 0.078 0.000 0.752 326 E HN 0.084 nan 8.360 nan 0.000 0.449 327 L N 1.179 122.413 121.223 0.018 0.000 2.012 327 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 327 L C 1.956 178.722 176.870 -0.174 0.000 1.073 327 L CA 1.627 56.409 54.840 -0.097 0.000 0.748 327 L CB -0.337 41.757 42.059 0.059 0.000 0.891 327 L HN 0.141 nan 8.230 nan 0.000 0.431 328 I N -0.614 119.853 120.570 -0.172 0.000 2.226 328 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 328 I C 2.573 178.600 176.117 -0.151 0.000 1.100 328 I CA 1.340 62.514 61.300 -0.209 0.000 1.374 328 I CB -1.096 36.682 38.000 -0.369 0.000 1.057 328 I HN 0.339 nan 8.210 nan 0.000 0.413 329 L N 0.062 121.207 121.223 -0.129 0.000 2.083 329 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 329 L C 2.529 179.341 176.870 -0.096 0.000 1.083 329 L CA 1.454 56.240 54.840 -0.090 0.000 0.752 329 L CB -1.024 40.996 42.059 -0.064 0.000 0.899 329 L HN 0.231 nan 8.230 nan 0.000 0.433 330 T N 0.085 114.555 114.554 -0.140 0.000 2.821 330 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 330 T C 1.881 176.473 174.700 -0.179 0.000 1.046 330 T CA 0.912 62.912 62.100 -0.168 0.000 1.139 330 T CB -0.057 68.653 68.868 -0.264 0.000 0.871 330 T HN 0.016 nan 8.240 nan 0.000 0.454 331 L N 0.715 121.810 121.223 -0.213 0.000 2.072 331 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 331 L C 2.621 179.449 176.870 -0.070 0.000 1.079 331 L CA 1.016 55.768 54.840 -0.145 0.000 0.752 331 L CB -1.178 40.799 42.059 -0.138 0.000 0.906 331 L HN 0.350 nan 8.230 nan 0.000 0.436 332 C N -0.625 118.637 119.300 -0.064 0.000 2.419 332 C HA -0.134 4.325 4.460 -0.000 0.000 0.283 332 C C 2.494 177.470 174.990 -0.022 0.000 1.373 332 C CA 0.733 59.733 59.018 -0.030 0.000 1.781 332 C CB -0.782 26.941 27.740 -0.029 0.000 1.886 332 C HN 0.571 nan 8.230 nan 0.000 0.520 333 D N 0.283 120.664 120.400 -0.032 0.000 2.149 333 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 333 D C 1.957 178.253 176.300 -0.008 0.000 0.972 333 D CA 0.959 54.947 54.000 -0.019 0.000 0.835 333 D CB -0.021 40.766 40.800 -0.022 0.000 0.966 333 D HN 0.101 nan 8.370 nan 0.000 0.476 334 L N 0.643 121.861 121.223 -0.009 0.000 2.046 334 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 334 L C 2.374 179.248 176.870 0.007 0.000 1.077 334 L CA 1.134 55.977 54.840 0.005 0.000 0.747 334 L CB -1.089 40.977 42.059 0.011 0.000 0.896 334 L HN 0.258 nan 8.230 nan 0.000 0.432 335 I N -0.810 119.763 120.570 0.005 0.000 2.099 335 I HA -0.349 3.820 4.170 -0.000 0.000 0.239 335 I C 2.698 178.822 176.117 0.012 0.000 1.066 335 I CA 1.138 62.446 61.300 0.012 0.000 1.324 335 I CB -0.373 37.637 38.000 0.017 0.000 1.037 335 I HN 0.206 nan 8.210 nan 0.000 0.401 336 R N 0.702 121.207 120.500 0.008 0.000 2.153 336 R HA -0.205 4.135 4.340 -0.000 0.000 0.252 336 R C 1.913 178.217 176.300 0.006 0.000 1.158 336 R CA 1.665 57.769 56.100 0.006 0.000 0.975 336 R CB -0.162 30.138 30.300 0.000 0.000 0.871 336 R HN 0.412 nan 8.270 nan 0.000 0.450 337 R N -0.980 119.523 120.500 0.006 0.000 2.359 337 R HA 0.147 4.487 4.340 -0.000 0.000 0.231 337 R C 0.850 177.155 176.300 0.008 0.000 0.913 337 R CA 0.534 56.638 56.100 0.006 0.000 1.075 337 R CB 0.722 31.026 30.300 0.006 0.000 1.087 337 R HN 0.348 nan 8.270 nan 0.000 0.515 338 G N 1.956 110.762 108.800 0.010 0.000 2.198 338 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 338 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 338 G C 0.576 175.483 174.900 0.011 0.000 1.025 338 G CA 0.389 45.496 45.100 0.011 0.000 0.769 338 G HN 0.457 nan 8.290 nan 0.000 0.507 339 Q N -1.656 118.151 119.800 0.012 0.000 2.356 339 Q HA 0.449 4.789 4.340 -0.000 0.000 0.205 339 Q C 0.511 176.520 176.000 0.016 0.000 0.901 339 Q CA 0.312 56.123 55.803 0.013 0.000 0.938 339 Q CB 0.784 29.531 28.738 0.015 0.000 1.081 339 Q HN 0.559 nan 8.270 nan 0.000 0.517 340 L N 0.802 122.035 121.223 0.016 0.000 2.491 340 L HA 0.373 4.713 4.340 -0.000 0.000 0.267 340 L C -0.851 176.030 176.870 0.019 0.000 0.971 340 L CA -0.209 54.642 54.840 0.018 0.000 0.857 340 L CB 1.982 44.052 42.059 0.018 0.000 1.226 340 L HN -0.036 nan 8.230 nan 0.000 0.408 341 T N 2.216 116.781 114.554 0.019 0.000 2.912 341 T HA 0.909 5.259 4.350 -0.000 0.000 0.288 341 T C 0.255 174.968 174.700 0.022 0.000 1.030 341 T CA -0.274 61.838 62.100 0.020 0.000 1.020 341 T CB 1.612 70.490 68.868 0.018 0.000 1.056 341 T HN 0.952 nan 8.240 nan 0.000 0.480 342 A N 3.457 126.291 122.820 0.025 0.000 2.483 342 A HA 0.577 4.897 4.320 -0.000 0.000 0.238 342 A C -1.695 175.902 177.584 0.022 0.000 1.070 342 A CA -0.919 51.133 52.037 0.025 0.000 0.770 342 A CB -0.856 18.160 19.000 0.026 0.000 1.008 342 A HN 0.837 nan 8.150 nan 0.000 0.497 343 P HA 0.471 nan 4.420 nan 0.000 0.281 343 P C -0.286 177.025 177.300 0.018 0.000 1.281 343 P CA -0.318 62.794 63.100 0.020 0.000 0.811 343 P CB 0.716 32.430 31.700 0.024 0.000 1.154 344 A N 0.040 122.869 122.820 0.015 0.000 2.498 344 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 344 A C 0.723 178.315 177.584 0.013 0.000 1.068 344 A CA 0.147 52.192 52.037 0.013 0.000 0.766 344 A CB -0.988 18.019 19.000 0.012 0.000 1.003 344 A HN 0.837 nan 8.150 nan 0.000 0.497 345 C N -0.434 118.873 119.300 0.011 0.000 3.291 345 C HA 0.892 5.352 4.460 -0.000 0.000 0.316 345 C C -0.356 174.635 174.990 0.003 0.000 1.391 345 C CA -0.580 58.443 59.018 0.007 0.000 1.394 345 C CB 1.204 28.949 27.740 0.008 0.000 1.744 345 C HN 0.840 nan 8.230 nan 0.000 0.461 346 S N 1.272 116.970 115.700 -0.004 0.000 2.659 346 S HA 0.497 4.967 4.470 -0.000 0.000 0.312 346 S C -0.931 173.659 174.600 -0.017 0.000 1.114 346 S CA -0.320 57.875 58.200 -0.009 0.000 1.063 346 S CB 1.177 64.370 63.200 -0.011 0.000 0.996 346 S HN 0.797 nan 8.310 nan 0.000 0.478 347 Q N 1.666 121.458 119.800 -0.014 0.000 2.259 347 Q HA 0.649 4.989 4.340 -0.000 0.000 0.249 347 Q C -0.925 175.060 176.000 -0.024 0.000 0.914 347 Q CA -0.563 55.229 55.803 -0.019 0.000 0.904 347 Q CB 1.507 30.239 28.738 -0.011 0.000 1.213 347 Q HN 0.402 nan 8.270 nan 0.000 0.428 348 V N 3.832 123.725 119.914 -0.035 0.000 2.668 348 V HA 0.307 4.427 4.120 -0.000 0.000 0.304 348 V C -2.425 173.649 176.094 -0.033 0.000 1.071 348 V CA -1.933 60.345 62.300 -0.036 0.000 0.894 348 V CB 2.043 33.835 31.823 -0.052 0.000 1.008 348 V HN 0.679 nan 8.190 nan 0.000 0.425 349 P HA 0.071 nan 4.420 nan 0.000 0.268 349 P C 0.841 178.140 177.300 -0.003 0.000 1.204 349 P CA -0.126 62.969 63.100 -0.008 0.000 0.768 349 P CB 0.777 32.478 31.700 0.002 0.000 0.842 350 L N 3.963 125.180 121.223 -0.010 0.000 2.230 350 L HA -0.265 4.075 4.340 -0.000 0.000 0.217 350 L C 2.190 179.095 176.870 0.058 0.000 1.090 350 L CA 1.930 56.764 54.840 -0.010 0.000 0.771 350 L CB -1.313 40.733 42.059 -0.021 0.000 0.892 350 L HN 0.440 nan 8.230 nan 0.000 0.438 351 Q N -0.259 119.578 119.800 0.061 0.000 1.967 351 Q HA -0.202 4.138 4.340 -0.000 0.000 0.210 351 Q C -0.082 176.030 176.000 0.188 0.000 1.005 351 Q CA 2.026 57.892 55.803 0.103 0.000 0.862 351 Q CB -0.168 28.603 28.738 0.055 0.000 0.939 351 Q HN 0.632 nan 8.270 nan 0.000 0.417 352 D N 0.493 120.945 120.400 0.086 0.000 2.551 352 D HA 0.016 4.656 4.640 -0.000 0.000 0.223 352 D C 0.279 176.581 176.300 0.003 0.000 1.144 352 D CA -0.006 54.002 54.000 0.014 0.000 1.025 352 D CB -0.273 40.510 40.800 -0.028 0.000 1.085 352 D HN 0.426 nan 8.370 nan 0.000 0.506 353 Y N -0.285 119.962 120.300 -0.087 0.000 2.343 353 Y HA 0.050 4.600 4.550 -0.000 0.000 0.294 353 Y C 1.929 177.758 175.900 -0.120 0.000 1.122 353 Y CA 0.343 58.357 58.100 -0.143 0.000 1.173 353 Y CB -0.460 37.910 38.460 -0.150 0.000 1.077 353 Y HN -0.035 nan 8.280 nan 0.000 0.542 354 Q N 1.379 120.621 119.800 -0.929 0.000 2.112 354 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 354 Q C 2.317 178.152 176.000 -0.274 0.000 0.987 354 Q CA 2.196 57.649 55.803 -0.583 0.000 0.858 354 Q CB -0.525 27.850 28.738 -0.605 0.000 0.905 354 Q HN 0.694 nan 8.270 nan 0.000 0.420 355 S N 1.348 116.911 115.700 -0.229 0.000 2.359 355 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 355 S C 2.134 176.670 174.600 -0.106 0.000 1.035 355 S CA 1.342 59.462 58.200 -0.133 0.000 1.018 355 S CB -0.452 62.686 63.200 -0.103 0.000 0.876 355 S HN 0.514 nan 8.310 nan 0.000 0.448 356 A N 1.347 124.098 122.820 -0.114 0.000 1.930 356 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 356 A C 2.132 179.657 177.584 -0.098 0.000 1.175 356 A CA 1.000 52.975 52.037 -0.103 0.000 0.627 356 A CB -0.661 18.259 19.000 -0.133 0.000 0.815 356 A HN 0.345 nan 8.150 nan 0.000 0.443 357 L N -0.169 120.988 121.223 -0.111 0.000 1.994 357 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 357 L C 2.336 179.183 176.870 -0.039 0.000 1.071 357 L CA 2.333 57.134 54.840 -0.064 0.000 0.745 357 L CB -1.076 40.959 42.059 -0.040 0.000 0.892 357 L HN 0.490 nan 8.230 nan 0.000 0.431 358 E N -0.919 119.246 120.200 -0.059 0.000 2.038 358 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 358 E C 2.232 178.818 176.600 -0.023 0.000 1.000 358 E CA 1.597 57.973 56.400 -0.041 0.000 0.803 358 E CB -0.312 29.355 29.700 -0.056 0.000 0.750 358 E HN 0.489 nan 8.360 nan 0.000 0.448 359 A N 0.219 123.022 122.820 -0.029 0.000 1.948 359 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 359 A C 2.242 179.829 177.584 0.005 0.000 1.177 359 A CA 2.324 54.354 52.037 -0.012 0.000 0.636 359 A CB -0.723 18.265 19.000 -0.020 0.000 0.815 359 A HN 0.369 nan 8.150 nan 0.000 0.449 360 S N -0.767 114.934 115.700 0.002 0.000 2.496 360 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 360 S C 1.463 176.082 174.600 0.031 0.000 0.996 360 S CA 0.836 59.048 58.200 0.020 0.000 0.927 360 S CB -0.168 63.046 63.200 0.024 0.000 0.774 360 S HN 0.492 nan 8.310 nan 0.000 0.524 361 M N 0.986 120.601 119.600 0.025 0.000 2.561 361 M HA 0.249 4.729 4.480 -0.000 0.000 0.238 361 M C -0.093 176.229 176.300 0.037 0.000 1.131 361 M CA 0.544 55.861 55.300 0.029 0.000 1.046 361 M CB -0.700 31.913 32.600 0.021 0.000 1.532 361 M HN 0.200 nan 8.290 nan 0.000 0.497 362 K N 1.978 122.406 120.400 0.045 0.000 2.201 362 K HA 0.210 4.530 4.320 -0.000 0.000 0.278 362 K C -1.464 175.207 176.600 0.117 0.000 1.027 362 K CA -1.509 54.821 56.287 0.072 0.000 0.909 362 K CB 1.363 33.901 32.500 0.063 0.000 1.062 362 K HN -0.136 nan 8.250 nan 0.000 0.465 363 P HA -0.104 nan 4.420 nan 0.000 0.223 363 P C 0.152 177.636 177.300 0.307 0.000 1.151 363 P CA 1.150 64.404 63.100 0.257 0.000 0.787 363 P CB 0.213 32.142 31.700 0.381 0.000 0.788 364 F N -0.726 119.222 119.950 -0.004 0.000 2.668 364 F HA 0.303 4.830 4.527 -0.000 0.000 0.301 364 F C 1.275 177.074 175.800 -0.001 0.000 1.106 364 F CA -1.961 56.038 58.000 -0.002 0.000 1.289 364 F CB -0.518 38.480 39.000 -0.004 0.000 1.006 364 F HN -0.166 nan 8.300 nan 0.000 0.535 365 I N 1.682 122.333 120.570 0.133 0.000 3.148 365 I HA -0.233 3.937 4.170 -0.000 0.000 0.317 365 I C 1.444 177.590 176.117 0.047 0.000 1.237 365 I CA 0.589 61.932 61.300 0.072 0.000 1.423 365 I CB 0.734 38.762 38.000 0.047 0.000 1.352 365 I HN 0.309 nan 8.210 nan 0.000 0.526 366 S N 4.567 120.295 115.700 0.046 0.000 2.368 366 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 366 S C 0.692 175.303 174.600 0.019 0.000 1.029 366 S CA 0.654 58.874 58.200 0.033 0.000 0.988 366 S CB -0.324 62.896 63.200 0.033 0.000 0.838 366 S HN 0.814 nan 8.310 nan 0.000 0.462 367 S N 0.088 115.798 115.700 0.017 0.000 2.595 367 S HA 0.663 5.133 4.470 -0.000 0.000 0.281 367 S C -1.034 173.574 174.600 0.013 0.000 1.117 367 S CA -1.155 57.053 58.200 0.013 0.000 0.873 367 S CB 1.783 64.989 63.200 0.009 0.000 1.108 367 S HN 0.164 nan 8.310 nan 0.000 0.477 368 K N 1.778 122.187 120.400 0.015 0.000 2.416 368 K HA 0.130 4.450 4.320 -0.000 0.000 0.283 368 K C -0.396 176.208 176.600 0.007 0.000 1.037 368 K CA 0.401 56.699 56.287 0.019 0.000 0.995 368 K CB 0.174 32.690 32.500 0.027 0.000 0.938 368 K HN 0.519 nan 8.250 nan 0.000 0.475 369 Q N 4.717 124.517 119.800 -0.000 0.000 2.323 369 Q HA 0.220 4.560 4.340 -0.000 0.000 0.257 369 Q C -0.257 175.720 176.000 -0.038 0.000 1.022 369 Q CA 0.071 55.858 55.803 -0.027 0.000 0.919 369 Q CB 0.490 29.201 28.738 -0.046 0.000 1.220 369 Q HN 0.570 nan 8.270 nan 0.000 0.427 370 I N 4.018 124.564 120.570 -0.039 0.000 2.354 370 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 370 I C -0.048 176.025 176.117 -0.073 0.000 0.989 370 I CA -0.841 60.434 61.300 -0.042 0.000 1.188 370 I CB 1.164 39.154 38.000 -0.016 0.000 1.342 370 I HN 0.292 nan 8.210 nan 0.000 0.457 371 L N 6.123 127.280 121.223 -0.110 0.000 2.305 371 L HA 0.390 4.730 4.340 -0.000 0.000 0.281 371 L C 0.524 177.357 176.870 -0.063 0.000 1.085 371 L CA -0.225 54.538 54.840 -0.128 0.000 0.813 371 L CB 1.270 43.176 42.059 -0.256 0.000 1.157 371 L HN 0.648 nan 8.230 nan 0.000 0.436 372 T N 1.212 115.738 114.554 -0.045 0.000 2.912 372 T HA 0.847 5.197 4.350 -0.000 0.000 0.288 372 T C -0.300 174.392 174.700 -0.013 0.000 1.030 372 T CA -0.956 61.130 62.100 -0.023 0.000 1.020 372 T CB 2.101 70.960 68.868 -0.016 0.000 1.056 372 T HN 0.496 nan 8.240 nan 0.000 0.480 373 M N 0.000 119.598 119.600 -0.003 0.000 2.572 373 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 373 M CA 0.000 55.303 55.300 0.004 0.000 0.988 373 M CB 0.000 32.607 32.600 0.011 0.000 1.302 373 M HN 0.000 nan 8.290 nan 0.000 0.411