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 2zeo_1_A DATA FIRST_RESID 33 DATA SEQUENCE ASAWPEEKNY HQPAILNSSA LRQIAEGTSI SEMWQNDLQP LLIERYPGSP DATA SEQUENCE GSYAARQHIM QRIQRLQADW VLEIDTFLSQ TPYGYRSFSN IISTLNPTAK DATA SEQUENCE RHLVLACHYD SKYFSHWNNR VFVGATDSAV PCAMMLELAR ALDKKLLSLK DATA SEQUENCE XXXXXXPDLS LQLIFFDGEE AFLHWSPQDS LYGSRHLAAK MASTPHPPGA DATA SEQUENCE RGTSQLHGMD LLVLLDLIGA PNPTFPNFFP NSARWFERLQ AIEHELHELG DATA SEQUENCE LLKDHSLEGR YFQNYSYGGV IQEDHIPFLR RGVPVLHLIP SPFPEVWHTM DATA SEQUENCE DDNEENLDES TIDNLNKILQ VFVLEYLHL 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.597 177.584 0.022 0.000 1.274 33 A CA 0.000 52.048 52.037 0.018 0.000 0.836 33 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 34 S N 1.006 116.745 115.700 0.064 0.000 2.561 34 S HA 0.337 4.769 4.470 -0.063 0.000 0.294 34 S C 1.241 175.846 174.600 0.010 0.000 1.294 34 S CA 0.695 58.957 58.200 0.102 0.000 1.055 34 S CB 0.576 63.942 63.200 0.276 0.000 0.819 34 S HN 1.941 nan 8.310 nan 0.000 0.503 35 A N 6.273 129.114 122.820 0.034 0.000 2.507 35 A HA 0.226 4.508 4.320 -0.063 0.000 0.270 35 A C 1.455 179.045 177.584 0.011 0.000 1.318 35 A CA -0.276 51.747 52.037 -0.023 0.000 0.924 35 A CB -0.554 18.461 19.000 0.025 0.000 1.061 35 A HN 1.022 nan 8.150 nan 0.000 0.516 36 W N 0.245 121.569 121.300 0.041 0.000 2.350 36 W HA -0.076 4.546 4.660 -0.064 0.000 0.289 36 W C -1.916 174.643 176.519 0.067 0.000 1.215 36 W CA 1.308 58.685 57.345 0.052 0.000 1.236 36 W CB -1.975 27.509 29.460 0.039 0.000 1.130 36 W HN 0.273 nan 8.180 nan 0.000 0.541 37 P HA -0.094 nan 4.420 nan 0.000 0.234 37 P C 0.979 178.202 177.300 -0.129 0.000 1.167 37 P CA 1.805 64.588 63.100 -0.529 0.000 0.763 37 P CB -0.267 30.939 31.700 -0.822 0.000 0.835 38 E N -0.504 119.674 120.200 -0.037 0.000 2.442 38 E HA -0.059 4.253 4.350 -0.063 0.000 0.195 38 E C 1.497 178.207 176.600 0.184 0.000 1.030 38 E CA 0.148 56.589 56.400 0.068 0.000 0.869 38 E CB -0.125 29.651 29.700 0.126 0.000 0.857 38 E HN 0.417 nan 8.360 nan 0.000 0.505 39 E N 1.545 121.885 120.200 0.233 0.000 2.130 39 E HA -0.252 4.060 4.350 -0.063 0.000 0.196 39 E C 1.939 178.692 176.600 0.255 0.000 0.998 39 E CA 1.439 58.017 56.400 0.296 0.000 0.806 39 E CB -0.131 29.732 29.700 0.271 0.000 0.738 39 E HN 0.265 nan 8.360 nan 0.000 0.459 40 K N 0.742 121.256 120.400 0.192 0.000 2.211 40 K HA -0.165 4.117 4.320 -0.063 0.000 0.204 40 K C 1.385 178.093 176.600 0.179 0.000 1.047 40 K CA 1.830 58.240 56.287 0.205 0.000 0.935 40 K CB -0.363 32.248 32.500 0.186 0.000 0.728 40 K HN 0.122 nan 8.250 nan 0.000 0.452 41 N N -0.312 118.368 118.700 -0.033 0.000 2.309 41 N HA -0.125 4.577 4.740 -0.063 0.000 0.182 41 N C 0.589 175.827 175.510 -0.455 0.000 1.018 41 N CA 1.009 53.874 53.050 -0.309 0.000 0.876 41 N CB -0.057 38.031 38.487 -0.664 0.000 0.972 41 N HN 0.280 nan 8.380 nan 0.000 0.434 42 Y N -0.807 119.593 120.300 0.167 0.000 2.481 42 Y HA 0.164 4.676 4.550 -0.063 0.000 0.247 42 Y C 0.555 176.543 175.900 0.147 0.000 1.151 42 Y CA -0.525 57.647 58.100 0.120 0.000 1.238 42 Y CB -0.362 38.149 38.460 0.086 0.000 1.179 42 Y HN 0.122 nan 8.280 nan 0.000 0.524 43 H N 2.652 121.842 119.070 0.201 0.000 2.964 43 H HA 0.070 4.588 4.556 -0.064 0.000 0.328 43 H C -0.399 175.043 175.328 0.189 0.000 1.030 43 H CA 0.599 56.747 56.048 0.167 0.000 1.445 43 H CB 0.711 30.541 29.762 0.114 0.000 1.449 43 H HN 0.177 nan 8.280 nan 0.000 0.581 44 Q N 5.611 125.202 119.800 -0.348 0.000 2.348 44 Q HA 0.380 4.682 4.340 -0.063 0.000 0.271 44 Q C -2.351 173.504 176.000 -0.242 0.000 1.067 44 Q CA -2.010 53.667 55.803 -0.209 0.000 0.839 44 Q CB 2.166 30.826 28.738 -0.131 0.000 1.354 44 Q HN 0.619 nan 8.270 nan 0.000 0.447 45 P HA 0.288 nan 4.420 nan 0.000 0.276 45 P C -1.269 175.871 177.300 -0.265 0.000 1.244 45 P CA -0.450 62.615 63.100 -0.059 0.000 0.801 45 P CB 0.815 32.551 31.700 0.060 0.000 1.006 46 A N 3.285 125.850 122.820 -0.426 0.000 2.412 46 A HA 0.442 4.724 4.320 -0.063 0.000 0.334 46 A C 0.413 177.871 177.584 -0.211 0.000 1.419 46 A CA -0.763 50.989 52.037 -0.475 0.000 0.930 46 A CB -0.748 17.812 19.000 -0.734 0.000 1.149 46 A HN 0.440 nan 8.150 nan 0.000 0.515 47 I N 2.833 123.317 120.570 -0.143 0.000 2.648 47 I HA 0.027 4.159 4.170 -0.063 0.000 0.284 47 I C 0.137 176.221 176.117 -0.054 0.000 1.153 47 I CA 0.195 61.450 61.300 -0.075 0.000 1.426 47 I CB 0.708 38.675 38.000 -0.055 0.000 1.381 47 I HN 0.467 nan 8.210 nan 0.000 0.571 48 L N 6.192 127.399 121.223 -0.026 0.000 2.371 48 L HA 0.194 4.496 4.340 -0.063 0.000 0.272 48 L C 0.292 177.159 176.870 -0.005 0.000 1.124 48 L CA -0.671 54.162 54.840 -0.013 0.000 0.816 48 L CB 0.434 42.496 42.059 0.005 0.000 1.129 48 L HN 0.697 nan 8.230 nan 0.000 0.448 49 N N 0.646 119.342 118.700 -0.006 0.000 2.364 49 N HA 0.104 4.806 4.740 -0.063 0.000 0.264 49 N C 0.642 176.157 175.510 0.008 0.000 1.263 49 N CA -0.580 52.469 53.050 -0.000 0.000 0.959 49 N CB 0.415 38.899 38.487 -0.004 0.000 1.204 49 N HN 0.449 nan 8.380 nan 0.000 0.550 50 S N -0.582 115.124 115.700 0.010 0.000 2.374 50 S HA -0.234 4.198 4.470 -0.063 0.000 0.227 50 S C 1.785 176.391 174.600 0.011 0.000 1.037 50 S CA 1.568 59.776 58.200 0.013 0.000 1.024 50 S CB -0.698 62.510 63.200 0.012 0.000 0.861 50 S HN 0.737 nan 8.310 nan 0.000 0.456 51 S N 1.460 117.165 115.700 0.008 0.000 2.368 51 S HA -0.074 4.358 4.470 -0.063 0.000 0.225 51 S C 2.028 176.634 174.600 0.010 0.000 1.030 51 S CA 1.220 59.425 58.200 0.008 0.000 0.999 51 S CB -0.473 62.730 63.200 0.005 0.000 0.844 51 S HN 0.537 nan 8.310 nan 0.000 0.459 52 A N 1.328 124.154 122.820 0.010 0.000 1.930 52 A HA 0.132 4.414 4.320 -0.063 0.000 0.217 52 A C 2.221 179.817 177.584 0.019 0.000 1.175 52 A CA 1.247 53.292 52.037 0.013 0.000 0.627 52 A CB -0.741 18.264 19.000 0.009 0.000 0.815 52 A HN 0.576 nan 8.150 nan 0.000 0.443 53 L N -0.888 120.346 121.223 0.020 0.000 2.046 53 L HA -0.205 4.097 4.340 -0.063 0.000 0.208 53 L C 2.837 179.721 176.870 0.024 0.000 1.077 53 L CA 1.459 56.314 54.840 0.026 0.000 0.747 53 L CB -0.480 41.596 42.059 0.027 0.000 0.896 53 L HN 0.366 nan 8.230 nan 0.000 0.432 54 R N -0.462 120.049 120.500 0.018 0.000 2.115 54 R HA -0.196 4.106 4.340 -0.063 0.000 0.230 54 R C 2.241 178.552 176.300 0.019 0.000 1.111 54 R CA 1.197 57.306 56.100 0.016 0.000 0.976 54 R CB -0.313 29.994 30.300 0.011 0.000 0.870 54 R HN 0.468 nan 8.270 nan 0.000 0.445 55 Q N 0.766 120.578 119.800 0.020 0.000 2.084 55 Q HA -0.158 4.143 4.340 -0.063 0.000 0.202 55 Q C 1.940 177.957 176.000 0.029 0.000 0.978 55 Q CA 1.229 57.045 55.803 0.022 0.000 0.844 55 Q CB 0.179 28.929 28.738 0.020 0.000 0.898 55 Q HN 0.202 nan 8.270 nan 0.000 0.426 56 I N 0.936 121.526 120.570 0.033 0.000 2.252 56 I HA -0.199 3.933 4.170 -0.063 0.000 0.245 56 I C 2.469 178.612 176.117 0.043 0.000 1.102 56 I CA 1.334 62.659 61.300 0.041 0.000 1.385 56 I CB -1.872 36.157 38.000 0.047 0.000 1.064 56 I HN 0.236 nan 8.210 nan 0.000 0.414 57 A N 0.571 123.414 122.820 0.038 0.000 1.908 57 A HA -0.184 4.098 4.320 -0.063 0.000 0.218 57 A C 2.130 179.735 177.584 0.036 0.000 1.181 57 A CA 1.478 53.537 52.037 0.038 0.000 0.627 57 A CB -0.466 18.551 19.000 0.028 0.000 0.818 57 A HN 0.383 nan 8.150 nan 0.000 0.445 58 E N -0.607 119.611 120.200 0.030 0.000 2.347 58 E HA -0.058 4.254 4.350 -0.063 0.000 0.196 58 E C 1.845 178.465 176.600 0.033 0.000 1.008 58 E CA 0.857 57.273 56.400 0.028 0.000 0.852 58 E CB -0.395 29.319 29.700 0.022 0.000 0.783 58 E HN 0.594 nan 8.360 nan 0.000 0.505 59 G N 0.502 109.324 108.800 0.037 0.000 2.985 59 G HA2 -0.062 3.860 3.960 -0.063 0.000 0.209 59 G HA3 -0.062 3.860 3.960 -0.063 0.000 0.209 59 G C 0.674 175.603 174.900 0.047 0.000 1.165 59 G CA 0.216 45.340 45.100 0.040 0.000 0.776 59 G HN 0.117 nan 8.290 nan 0.000 0.541 60 T N -0.546 114.039 114.554 0.051 0.000 2.855 60 T HA 0.550 4.862 4.350 -0.063 0.000 0.281 60 T C -0.642 174.094 174.700 0.061 0.000 1.007 60 T CA -0.438 61.697 62.100 0.060 0.000 1.009 60 T CB 1.601 70.509 68.868 0.067 0.000 0.983 60 T HN -0.017 nan 8.240 nan 0.000 0.455 61 S N 4.358 120.098 115.700 0.067 0.000 2.733 61 S HA 0.338 4.770 4.470 -0.063 0.000 0.307 61 S C 0.938 175.597 174.600 0.098 0.000 1.127 61 S CA -0.822 57.420 58.200 0.070 0.000 1.097 61 S CB 0.559 63.796 63.200 0.061 0.000 1.003 61 S HN 0.707 nan 8.310 nan 0.000 0.477 62 I N 5.705 126.339 120.570 0.107 0.000 2.394 62 I HA -0.075 4.057 4.170 -0.063 0.000 0.251 62 I C 2.302 178.544 176.117 0.207 0.000 1.136 62 I CA 2.224 63.626 61.300 0.169 0.000 1.425 62 I CB -0.317 37.777 38.000 0.156 0.000 1.079 62 I HN 0.807 nan 8.210 nan 0.000 0.425 63 S N -0.467 115.303 115.700 0.116 0.000 2.406 63 S HA -0.106 4.326 4.470 -0.063 0.000 0.228 63 S C 1.874 176.568 174.600 0.157 0.000 1.020 63 S CA 0.796 59.062 58.200 0.110 0.000 0.965 63 S CB -0.558 62.659 63.200 0.027 0.000 0.798 63 S HN 0.480 nan 8.310 nan 0.000 0.488 64 E N 1.233 121.505 120.200 0.120 0.000 2.072 64 E HA -0.064 4.248 4.350 -0.063 0.000 0.191 64 E C 1.986 178.661 176.600 0.124 0.000 0.985 64 E CA 1.022 57.485 56.400 0.105 0.000 0.801 64 E CB -0.432 29.312 29.700 0.074 0.000 0.750 64 E HN 0.644 nan 8.360 nan 0.000 0.452 65 M N -0.143 119.541 119.600 0.140 0.000 2.080 65 M HA -0.183 4.259 4.480 -0.063 0.000 0.260 65 M C 2.181 178.560 176.300 0.132 0.000 1.068 65 M CA 1.581 56.952 55.300 0.118 0.000 1.109 65 M CB -0.267 32.405 32.600 0.120 0.000 1.342 65 M HN 0.196 nan 8.290 nan 0.000 0.405 66 W N 1.137 122.449 121.300 0.020 0.000 2.317 66 W HA -0.304 4.317 4.660 -0.065 0.000 0.318 66 W C 2.375 178.897 176.519 0.005 0.000 1.227 66 W CA 2.400 59.752 57.345 0.012 0.000 1.269 66 W CB -0.802 28.664 29.460 0.010 0.000 1.155 66 W HN 0.494 nan 8.180 nan 0.000 0.484 67 Q N -0.364 119.592 119.800 0.261 0.000 2.096 67 Q HA -0.151 4.151 4.340 -0.063 0.000 0.197 67 Q C 1.675 177.717 176.000 0.070 0.000 0.964 67 Q CA 1.396 57.289 55.803 0.150 0.000 0.838 67 Q CB -0.235 28.580 28.738 0.128 0.000 0.906 67 Q HN 0.141 nan 8.270 nan 0.000 0.444 68 N N 0.115 118.860 118.700 0.076 0.000 2.409 68 N HA -0.029 4.673 4.740 -0.063 0.000 0.174 68 N C 0.497 176.081 175.510 0.123 0.000 1.037 68 N CA 0.838 53.933 53.050 0.074 0.000 0.898 68 N CB 0.351 38.877 38.487 0.064 0.000 1.010 68 N HN 0.278 nan 8.380 nan 0.000 0.445 69 D N -0.241 120.212 120.400 0.089 0.000 2.597 69 D HA 0.055 4.657 4.640 -0.063 0.000 0.261 69 D C 1.808 178.154 176.300 0.077 0.000 1.023 69 D CA -0.052 54.035 54.000 0.146 0.000 0.927 69 D CB 0.401 41.229 40.800 0.046 0.000 1.168 69 D HN 0.020 nan 8.370 nan 0.000 0.491 70 L N 1.332 122.499 121.223 -0.094 0.000 2.084 70 L HA 0.027 4.329 4.340 -0.063 0.000 0.202 70 L C 2.173 178.883 176.870 -0.266 0.000 1.074 70 L CA 1.683 56.377 54.840 -0.243 0.000 0.757 70 L CB -0.538 41.208 42.059 -0.521 0.000 0.918 70 L HN -0.137 nan 8.230 nan 0.000 0.444 71 Q N -0.213 119.443 119.800 -0.241 0.000 2.152 71 Q HA -0.184 4.118 4.340 -0.063 0.000 0.206 71 Q C -0.470 175.404 176.000 -0.210 0.000 0.985 71 Q CA 2.203 57.895 55.803 -0.186 0.000 0.863 71 Q CB -1.106 27.588 28.738 -0.073 0.000 0.904 71 Q HN 0.461 nan 8.270 nan 0.000 0.422 72 P HA -0.124 nan 4.420 nan 0.000 0.222 72 P C 0.658 177.722 177.300 -0.393 0.000 1.147 72 P CA 1.084 63.922 63.100 -0.437 0.000 0.790 72 P CB 0.078 31.266 31.700 -0.854 0.000 0.780 73 L N -1.896 119.136 121.223 -0.318 0.000 2.567 73 L HA 0.072 4.374 4.340 -0.063 0.000 0.225 73 L C 0.966 177.759 176.870 -0.128 0.000 1.119 73 L CA 0.075 54.813 54.840 -0.169 0.000 0.871 73 L CB -0.328 41.680 42.059 -0.085 0.000 1.036 73 L HN -0.072 nan 8.230 nan 0.000 0.459 74 L N 3.098 124.229 121.223 -0.152 0.000 2.437 74 L HA 0.259 4.561 4.340 -0.063 0.000 0.243 74 L C -0.084 176.726 176.870 -0.100 0.000 1.346 74 L CA 0.081 54.842 54.840 -0.132 0.000 1.233 74 L CB -0.653 41.321 42.059 -0.142 0.000 1.436 74 L HN 0.209 nan 8.230 nan 0.000 0.416 75 I N -3.208 117.317 120.570 -0.075 0.000 3.095 75 I HA 0.462 4.594 4.170 -0.063 0.000 0.310 75 I C -0.312 175.807 176.117 0.003 0.000 1.196 75 I CA -1.087 60.190 61.300 -0.039 0.000 0.985 75 I CB 2.025 40.002 38.000 -0.038 0.000 1.250 75 I HN 0.034 nan 8.210 nan 0.000 0.446 76 E N 3.507 123.736 120.200 0.049 0.000 2.415 76 E HA 0.144 4.456 4.350 -0.063 0.000 0.260 76 E C -0.330 176.320 176.600 0.083 0.000 1.016 76 E CA -0.219 56.264 56.400 0.139 0.000 0.924 76 E CB 0.528 30.362 29.700 0.224 0.000 0.961 76 E HN 0.721 nan 8.360 nan 0.000 0.459 77 R N 3.956 124.521 120.500 0.109 0.000 2.583 77 R HA 0.111 4.413 4.340 -0.063 0.000 0.329 77 R C -0.942 175.375 176.300 0.028 0.000 1.166 77 R CA -0.674 55.438 56.100 0.021 0.000 1.264 77 R CB -0.509 29.835 30.300 0.074 0.000 1.324 77 R HN 0.410 nan 8.270 nan 0.000 0.684 78 Y N -0.519 119.845 120.300 0.106 0.000 2.426 78 Y HA 0.509 5.021 4.550 -0.064 0.000 0.344 78 Y C -2.267 173.639 175.900 0.010 0.000 1.256 78 Y CA -2.978 55.158 58.100 0.060 0.000 1.451 78 Y CB -0.287 38.259 38.460 0.144 0.000 1.342 78 Y HN -0.013 nan 8.280 nan 0.000 0.600 79 P HA 0.098 nan 4.420 nan 0.000 0.262 79 P C 0.734 177.983 177.300 -0.086 0.000 1.182 79 P CA 2.069 65.139 63.100 -0.050 0.000 0.761 79 P CB 0.626 32.256 31.700 -0.117 0.000 0.795 80 G N 1.868 110.554 108.800 -0.190 0.000 2.199 80 G HA2 -0.245 3.676 3.960 -0.063 0.000 0.254 80 G HA3 -0.245 3.676 3.960 -0.063 0.000 0.254 80 G C 0.406 175.188 174.900 -0.196 0.000 0.982 80 G CA 0.312 45.301 45.100 -0.184 0.000 0.632 80 G HN 0.786 nan 8.290 nan 0.000 0.529 81 S N 0.163 115.649 115.700 -0.357 0.000 2.632 81 S HA 0.653 5.085 4.470 -0.063 0.000 0.267 81 S C -0.811 173.670 174.600 -0.199 0.000 1.276 81 S CA -0.522 57.406 58.200 -0.452 0.000 0.998 81 S CB 2.111 64.680 63.200 -1.051 0.000 0.953 81 S HN -0.020 nan 8.310 nan 0.000 0.547 82 P HA 0.058 nan 4.420 nan 0.000 0.218 82 P C 1.642 178.958 177.300 0.026 0.000 1.149 82 P CA 1.394 64.481 63.100 -0.022 0.000 0.817 82 P CB -0.433 31.257 31.700 -0.017 0.000 0.785 83 G N -0.692 108.083 108.800 -0.041 0.000 2.422 83 G HA2 -0.239 3.683 3.960 -0.063 0.000 0.218 83 G HA3 -0.239 3.683 3.960 -0.063 0.000 0.218 83 G C 1.823 176.736 174.900 0.023 0.000 1.140 83 G CA 0.930 46.024 45.100 -0.011 0.000 0.775 83 G HN 0.302 nan 8.290 nan 0.000 0.545 84 S N -0.642 115.058 115.700 0.001 0.000 2.368 84 S HA -0.178 4.254 4.470 -0.063 0.000 0.225 84 S C 2.102 176.805 174.600 0.172 0.000 1.030 84 S CA 1.486 59.750 58.200 0.106 0.000 0.999 84 S CB -0.446 62.768 63.200 0.024 0.000 0.844 84 S HN 0.502 nan 8.310 nan 0.000 0.459 85 Y N 2.003 122.308 120.300 0.007 0.000 2.181 85 Y HA 0.043 4.555 4.550 -0.063 0.000 0.288 85 Y C 2.381 178.274 175.900 -0.011 0.000 1.146 85 Y CA 1.212 59.311 58.100 -0.002 0.000 1.164 85 Y CB -0.952 37.490 38.460 -0.030 0.000 0.982 85 Y HN 0.306 nan 8.280 nan 0.000 0.515 86 A N 0.506 123.305 122.820 -0.034 0.000 1.902 86 A HA -0.096 4.186 4.320 -0.063 0.000 0.217 86 A C 2.426 179.934 177.584 -0.127 0.000 1.181 86 A CA 1.863 53.833 52.037 -0.113 0.000 0.623 86 A CB -1.470 17.520 19.000 -0.017 0.000 0.818 86 A HN 0.600 nan 8.150 nan 0.000 0.443 87 A N -0.293 122.497 122.820 -0.052 0.000 1.902 87 A HA -0.150 4.132 4.320 -0.063 0.000 0.217 87 A C 2.233 179.694 177.584 -0.204 0.000 1.181 87 A CA 1.778 53.795 52.037 -0.033 0.000 0.623 87 A CB -0.474 18.609 19.000 0.139 0.000 0.818 87 A HN 0.554 nan 8.150 nan 0.000 0.443 88 R N -0.876 119.455 120.500 -0.282 0.000 2.081 88 R HA -0.155 4.147 4.340 -0.063 0.000 0.235 88 R C 2.262 178.307 176.300 -0.426 0.000 1.131 88 R CA 1.625 57.440 56.100 -0.476 0.000 0.960 88 R CB -0.213 29.892 30.300 -0.326 0.000 0.856 88 R HN 0.471 nan 8.270 nan 0.000 0.436 89 Q N -0.555 118.989 119.800 -0.427 0.000 2.124 89 Q HA -0.209 4.093 4.340 -0.063 0.000 0.202 89 Q C 1.960 177.805 176.000 -0.259 0.000 0.977 89 Q CA 1.857 57.435 55.803 -0.376 0.000 0.850 89 Q CB -0.524 27.943 28.738 -0.452 0.000 0.901 89 Q HN 0.575 nan 8.270 nan 0.000 0.429 90 H N 0.692 119.582 119.070 -0.301 0.000 2.321 90 H HA -0.013 4.505 4.556 -0.064 0.000 0.300 90 H C 1.963 177.107 175.328 -0.307 0.000 1.087 90 H CA 1.626 57.523 56.048 -0.252 0.000 1.319 90 H CB -0.260 29.375 29.762 -0.212 0.000 1.379 90 H HN 0.134 nan 8.280 nan 0.000 0.501 91 I N -0.109 120.116 120.570 -0.574 0.000 2.179 91 I HA -0.303 3.829 4.170 -0.063 0.000 0.242 91 I C 2.454 178.195 176.117 -0.626 0.000 1.088 91 I CA 1.629 62.469 61.300 -0.768 0.000 1.357 91 I CB -0.272 37.129 38.000 -0.999 0.000 1.051 91 I HN 0.356 nan 8.210 nan 0.000 0.409 92 M N -0.326 118.981 119.600 -0.489 0.000 2.117 92 M HA -0.248 4.194 4.480 -0.063 0.000 0.262 92 M C 2.348 178.475 176.300 -0.287 0.000 1.065 92 M CA 1.838 56.925 55.300 -0.354 0.000 1.114 92 M CB -0.455 31.981 32.600 -0.273 0.000 1.361 92 M HN 0.244 nan 8.290 nan 0.000 0.408 93 Q N -0.302 119.332 119.800 -0.277 0.000 2.084 93 Q HA -0.110 4.192 4.340 -0.063 0.000 0.202 93 Q C 2.195 178.065 176.000 -0.217 0.000 0.978 93 Q CA 1.009 56.690 55.803 -0.203 0.000 0.844 93 Q CB -0.070 28.574 28.738 -0.156 0.000 0.898 93 Q HN 0.378 nan 8.270 nan 0.000 0.426 94 R N 0.316 120.620 120.500 -0.327 0.000 2.115 94 R HA -0.042 4.260 4.340 -0.063 0.000 0.230 94 R C 2.075 178.222 176.300 -0.255 0.000 1.111 94 R CA 0.973 56.896 56.100 -0.296 0.000 0.976 94 R CB -0.368 29.674 30.300 -0.431 0.000 0.870 94 R HN 0.363 nan 8.270 nan 0.000 0.445 95 I N 0.880 121.259 120.570 -0.318 0.000 2.333 95 I HA -0.223 3.909 4.170 -0.063 0.000 0.246 95 I C 2.287 178.308 176.117 -0.160 0.000 1.106 95 I CA 1.039 62.136 61.300 -0.338 0.000 1.411 95 I CB -0.196 37.520 38.000 -0.474 0.000 1.082 95 I HN 0.138 nan 8.210 nan 0.000 0.420 96 Q N 0.711 120.436 119.800 -0.126 0.000 2.226 96 Q HA -0.205 4.097 4.340 -0.063 0.000 0.204 96 Q C 2.079 178.073 176.000 -0.010 0.000 0.975 96 Q CA 1.204 56.982 55.803 -0.041 0.000 0.866 96 Q CB -0.191 28.513 28.738 -0.056 0.000 0.915 96 Q HN 0.570 nan 8.270 nan 0.000 0.440 97 R N 0.136 120.616 120.500 -0.034 0.000 2.316 97 R HA 0.041 4.343 4.340 -0.063 0.000 0.202 97 R C 0.390 176.705 176.300 0.024 0.000 1.029 97 R CA 0.131 56.225 56.100 -0.009 0.000 1.018 97 R CB -0.291 29.992 30.300 -0.027 0.000 0.888 97 R HN 0.088 nan 8.270 nan 0.000 0.471 98 L N 1.559 122.815 121.223 0.055 0.000 2.439 98 L HA 0.115 4.417 4.340 -0.063 0.000 0.261 98 L C 1.405 178.349 176.870 0.124 0.000 1.153 98 L CA -0.386 54.520 54.840 0.110 0.000 0.808 98 L CB 0.948 43.121 42.059 0.191 0.000 1.126 98 L HN 0.116 nan 8.230 nan 0.000 0.460 99 Q N 1.333 121.193 119.800 0.101 0.000 2.123 99 Q HA 0.035 4.337 4.340 -0.063 0.000 0.199 99 Q C 0.694 176.726 176.000 0.053 0.000 0.966 99 Q CA 0.680 56.522 55.803 0.065 0.000 0.845 99 Q CB -0.003 28.761 28.738 0.042 0.000 0.907 99 Q HN 0.777 nan 8.270 nan 0.000 0.439 100 A N 1.701 124.559 122.820 0.064 0.000 2.466 100 A HA -0.050 4.231 4.320 -0.063 0.000 0.238 100 A C 0.029 177.557 177.584 -0.093 0.000 1.074 100 A CA -0.121 51.869 52.037 -0.078 0.000 0.774 100 A CB 0.178 19.050 19.000 -0.213 0.000 1.015 100 A HN 0.089 nan 8.150 nan 0.000 0.498 101 D N 1.377 121.661 120.400 -0.193 0.000 2.934 101 D HA 0.142 4.744 4.640 -0.063 0.000 0.237 101 D C -0.637 175.600 176.300 -0.105 0.000 1.158 101 D CA -0.127 53.809 54.000 -0.108 0.000 0.971 101 D CB -0.597 40.141 40.800 -0.103 0.000 1.123 101 D HN 0.413 nan 8.370 nan 0.000 0.467 102 W N 0.567 121.867 121.300 0.000 0.000 2.210 102 W HA 0.201 4.823 4.660 -0.064 0.000 0.330 102 W C 0.238 176.753 176.519 -0.006 0.000 1.334 102 W CA -0.663 56.681 57.345 -0.001 0.000 1.227 102 W CB 0.757 30.213 29.460 -0.007 0.000 1.178 102 W HN -0.144 nan 8.180 nan 0.000 0.560 103 V N 6.057 126.130 119.914 0.266 0.000 2.357 103 V HA 0.305 4.387 4.120 -0.063 0.000 0.284 103 V C 0.025 176.204 176.094 0.141 0.000 1.018 103 V CA -0.962 61.427 62.300 0.149 0.000 0.841 103 V CB 0.687 32.564 31.823 0.090 0.000 0.991 103 V HN 0.334 nan 8.190 nan 0.000 0.437 104 L N 5.313 126.591 121.223 0.091 0.000 2.307 104 L HA 0.595 4.897 4.340 -0.063 0.000 0.282 104 L C 0.084 176.976 176.870 0.036 0.000 1.051 104 L CA -0.143 54.724 54.840 0.045 0.000 0.804 104 L CB 1.286 43.342 42.059 -0.006 0.000 1.197 104 L HN 0.639 nan 8.230 nan 0.000 0.431 105 E N 3.891 124.113 120.200 0.036 0.000 2.272 105 E HA 0.491 4.803 4.350 -0.063 0.000 0.269 105 E C -1.290 175.343 176.600 0.055 0.000 0.877 105 E CA -0.796 55.632 56.400 0.046 0.000 0.755 105 E CB 2.891 32.624 29.700 0.054 0.000 1.192 105 E HN 0.272 nan 8.360 nan 0.000 0.422 106 I N 2.286 122.896 120.570 0.067 0.000 2.330 106 I HA 0.170 4.302 4.170 -0.063 0.000 0.289 106 I C -0.385 175.818 176.117 0.143 0.000 1.001 106 I CA -0.767 60.590 61.300 0.095 0.000 1.193 106 I CB 1.026 39.069 38.000 0.072 0.000 1.345 106 I HN 0.549 nan 8.210 nan 0.000 0.461 107 D N 5.410 125.935 120.400 0.208 0.000 2.456 107 D HA 0.250 4.851 4.640 -0.063 0.000 0.219 107 D C -0.552 175.962 176.300 0.356 0.000 1.126 107 D CA 0.004 54.175 54.000 0.286 0.000 0.890 107 D CB 0.729 41.729 40.800 0.332 0.000 1.025 107 D HN 0.377 nan 8.370 nan 0.000 0.511 108 T N 4.355 119.066 114.554 0.263 0.000 2.795 108 T HA 0.590 4.902 4.350 -0.063 0.000 0.282 108 T C -0.449 174.360 174.700 0.182 0.000 0.980 108 T CA -0.471 61.733 62.100 0.174 0.000 1.012 108 T CB 0.311 69.234 68.868 0.091 0.000 0.936 108 T HN 0.349 nan 8.240 nan 0.000 0.457 109 F N 0.862 120.784 119.950 -0.047 0.000 2.685 109 F HA 0.774 5.262 4.527 -0.064 0.000 0.315 109 F C -1.981 173.821 175.800 0.002 0.000 1.126 109 F CA -1.751 56.168 58.000 -0.136 0.000 0.950 109 F CB 0.938 39.570 39.000 -0.614 0.000 1.360 109 F HN 0.304 nan 8.300 nan 0.000 0.469 110 L N 1.798 123.070 121.223 0.083 0.000 2.331 110 L HA 0.740 5.042 4.340 -0.063 0.000 0.275 110 L C -0.225 176.751 176.870 0.175 0.000 1.022 110 L CA -0.728 54.137 54.840 0.042 0.000 0.812 110 L CB 1.856 43.900 42.059 -0.025 0.000 1.257 110 L HN 0.880 nan 8.230 nan 0.000 0.435 111 S N 1.171 116.977 115.700 0.177 0.000 2.564 111 S HA 0.371 4.803 4.470 -0.063 0.000 0.274 111 S C -1.016 173.663 174.600 0.132 0.000 1.124 111 S CA -0.643 57.671 58.200 0.191 0.000 0.869 111 S CB 1.970 65.364 63.200 0.322 0.000 1.105 111 S HN 0.548 nan 8.310 nan 0.000 0.472 112 Q N 1.642 121.502 119.800 0.101 0.000 2.373 112 Q HA 0.604 4.906 4.340 -0.063 0.000 0.255 112 Q C -0.057 176.087 176.000 0.240 0.000 0.980 112 Q CA 0.307 56.236 55.803 0.209 0.000 0.882 112 Q CB 0.858 29.713 28.738 0.196 0.000 1.249 112 Q HN 0.823 nan 8.270 nan 0.000 0.438 113 T N -0.296 114.341 114.554 0.138 0.000 2.812 113 T HA 0.530 4.842 4.350 -0.063 0.000 0.294 113 T C -2.208 172.438 174.700 -0.092 0.000 1.159 113 T CA -1.617 60.519 62.100 0.061 0.000 1.008 113 T CB 1.167 69.865 68.868 -0.283 0.000 1.289 113 T HN 0.418 nan 8.240 nan 0.000 0.514 114 P HA 0.055 nan 4.420 nan 0.000 0.225 114 P C 0.091 177.020 177.300 -0.619 0.000 1.148 114 P CA 0.871 63.733 63.100 -0.395 0.000 0.779 114 P CB -0.163 31.247 31.700 -0.483 0.000 0.780 115 Y N -1.307 118.825 120.300 -0.279 0.000 2.524 115 Y HA 0.451 4.963 4.550 -0.064 0.000 0.266 115 Y C 1.588 177.345 175.900 -0.239 0.000 1.180 115 Y CA 0.269 58.194 58.100 -0.292 0.000 1.244 115 Y CB -0.132 38.065 38.460 -0.438 0.000 1.125 115 Y HN -0.083 nan 8.280 nan 0.000 0.524 116 G N -0.537 108.207 108.800 -0.094 0.000 2.610 116 G HA2 -0.226 3.696 3.960 -0.063 0.000 0.304 116 G HA3 -0.226 3.696 3.960 -0.063 0.000 0.304 116 G C -0.719 174.224 174.900 0.072 0.000 1.309 116 G CA -1.175 43.890 45.100 -0.059 0.000 0.906 116 G HN 0.164 nan 8.290 nan 0.000 0.521 117 Y N 0.961 121.219 120.300 -0.069 0.000 2.610 117 Y HA 0.410 4.922 4.550 -0.064 0.000 0.332 117 Y C 1.622 177.460 175.900 -0.104 0.000 1.201 117 Y CA -0.080 57.990 58.100 -0.050 0.000 1.465 117 Y CB 0.484 38.928 38.460 -0.027 0.000 1.283 117 Y HN 0.437 nan 8.280 nan 0.000 0.563 118 R N 1.130 121.656 120.500 0.044 0.000 2.799 118 R HA 0.390 4.692 4.340 -0.063 0.000 0.270 118 R C -1.195 174.973 176.300 -0.219 0.000 1.010 118 R CA -0.997 54.999 56.100 -0.174 0.000 0.916 118 R CB 2.210 32.261 30.300 -0.414 0.000 1.228 118 R HN 0.517 nan 8.270 nan 0.000 0.469 119 S N 0.792 116.266 115.700 -0.376 0.000 2.525 119 S HA 0.713 5.145 4.470 -0.063 0.000 0.290 119 S C -1.221 172.986 174.600 -0.654 0.000 1.152 119 S CA -0.436 57.548 58.200 -0.359 0.000 1.072 119 S CB 0.462 63.531 63.200 -0.219 0.000 1.027 119 S HN 0.355 nan 8.310 nan 0.000 0.500 120 F N 1.276 120.859 119.950 -0.612 0.000 2.588 120 F HA 0.546 5.035 4.527 -0.063 0.000 0.314 120 F C 0.189 175.760 175.800 -0.381 0.000 1.069 120 F CA -0.743 56.931 58.000 -0.543 0.000 0.931 120 F CB 2.531 40.995 39.000 -0.894 0.000 1.260 120 F HN 0.404 nan 8.300 nan 0.000 0.465 121 S N 2.004 117.803 115.700 0.164 0.000 2.789 121 S HA 0.336 4.768 4.470 -0.063 0.000 0.286 121 S C -0.991 173.877 174.600 0.446 0.000 1.153 121 S CA -0.890 57.468 58.200 0.265 0.000 1.084 121 S CB 0.602 63.926 63.200 0.207 0.000 1.036 121 S HN 0.431 nan 8.310 nan 0.000 0.484 122 N N 2.290 121.285 118.700 0.491 0.000 2.525 122 N HA 0.414 5.116 4.740 -0.063 0.000 0.271 122 N C -0.502 175.190 175.510 0.303 0.000 1.194 122 N CA -0.040 53.301 53.050 0.486 0.000 0.964 122 N CB 0.773 39.541 38.487 0.467 0.000 1.126 122 N HN 0.510 nan 8.380 nan 0.000 0.452 123 I N 2.244 122.956 120.570 0.237 0.000 2.378 123 I HA 0.369 4.501 4.170 -0.063 0.000 0.291 123 I C -0.353 175.836 176.117 0.121 0.000 0.992 123 I CA -0.645 60.714 61.300 0.097 0.000 1.154 123 I CB 1.040 38.993 38.000 -0.078 0.000 1.315 123 I HN 0.211 nan 8.210 nan 0.000 0.448 124 I N 4.962 125.573 120.570 0.069 0.000 2.436 124 I HA 0.305 4.437 4.170 -0.063 0.000 0.289 124 I C -0.098 176.048 176.117 0.048 0.000 1.010 124 I CA -0.083 61.236 61.300 0.033 0.000 1.098 124 I CB 2.043 40.050 38.000 0.011 0.000 1.266 124 I HN 0.408 nan 8.210 nan 0.000 0.434 125 S N 3.799 119.534 115.700 0.059 0.000 2.552 125 S HA 0.742 5.174 4.470 -0.063 0.000 0.314 125 S C -0.721 174.072 174.600 0.322 0.000 1.099 125 S CA -0.285 57.988 58.200 0.122 0.000 1.070 125 S CB 0.659 63.803 63.200 -0.092 0.000 0.998 125 S HN 0.616 nan 8.310 nan 0.000 0.474 126 T N 5.456 120.234 114.554 0.373 0.000 2.848 126 T HA 0.468 4.780 4.350 -0.063 0.000 0.285 126 T C -0.682 174.102 174.700 0.140 0.000 0.995 126 T CA -0.538 61.705 62.100 0.239 0.000 0.970 126 T CB 0.994 69.851 68.868 -0.018 0.000 0.976 126 T HN 0.527 nan 8.240 nan 0.000 0.441 127 L N 3.403 124.575 121.223 -0.084 0.000 2.312 127 L HA 0.432 4.734 4.340 -0.063 0.000 0.281 127 L C 0.305 177.180 176.870 0.008 0.000 1.070 127 L CA -0.797 53.877 54.840 -0.277 0.000 0.805 127 L CB 0.432 42.151 42.059 -0.568 0.000 1.174 127 L HN 0.773 nan 8.230 nan 0.000 0.434 128 N N 2.279 120.971 118.700 -0.013 0.000 2.681 128 N HA -0.140 4.562 4.740 -0.063 0.000 0.259 128 N C -2.144 173.490 175.510 0.206 0.000 1.066 128 N CA -0.049 53.035 53.050 0.056 0.000 0.717 128 N CB -0.692 37.788 38.487 -0.011 0.000 0.885 128 N HN 0.466 nan 8.380 nan 0.000 0.547 129 P HA -0.178 nan 4.420 nan 0.000 0.217 129 P C 1.607 179.041 177.300 0.224 0.000 1.148 129 P CA 1.850 65.021 63.100 0.118 0.000 0.828 129 P CB 0.028 31.767 31.700 0.064 0.000 0.783 130 T N -4.485 110.152 114.554 0.139 0.000 3.107 130 T HA 0.390 4.702 4.350 -0.063 0.000 0.249 130 T C 0.889 175.596 174.700 0.011 0.000 1.096 130 T CA -0.123 62.020 62.100 0.072 0.000 1.012 130 T CB -0.676 68.179 68.868 -0.021 0.000 0.977 130 T HN 0.047 nan 8.240 nan 0.000 0.527 131 A N 1.683 124.548 122.820 0.075 0.000 2.531 131 A HA 0.291 4.573 4.320 -0.063 0.000 0.236 131 A C 1.380 178.950 177.584 -0.023 0.000 1.062 131 A CA -0.227 51.763 52.037 -0.078 0.000 0.760 131 A CB 0.267 19.136 19.000 -0.219 0.000 0.995 131 A HN 0.479 nan 8.150 nan 0.000 0.501 132 K N 0.852 121.088 120.400 -0.273 0.000 2.097 132 K HA -0.074 4.208 4.320 -0.063 0.000 0.205 132 K C 0.408 176.960 176.600 -0.081 0.000 1.050 132 K CA 1.124 57.137 56.287 -0.456 0.000 0.938 132 K CB -0.007 31.754 32.500 -1.232 0.000 0.718 132 K HN 0.677 nan 8.250 nan 0.000 0.442 133 R N 0.293 120.721 120.500 -0.121 0.000 2.637 133 R HA 0.362 4.664 4.340 -0.063 0.000 0.291 133 R C -1.062 175.104 176.300 -0.222 0.000 0.963 133 R CA -0.605 55.502 56.100 0.012 0.000 0.901 133 R CB 1.598 31.916 30.300 0.029 0.000 1.160 133 R HN 0.067 nan 8.270 nan 0.000 0.457 134 H N 0.463 119.542 119.070 0.014 0.000 2.806 134 H HA 0.287 4.804 4.556 -0.064 0.000 0.367 134 H C -1.269 174.003 175.328 -0.093 0.000 1.136 134 H CA -0.846 55.177 56.048 -0.041 0.000 1.178 134 H CB 1.686 31.416 29.762 -0.053 0.000 1.718 134 H HN 0.251 nan 8.280 nan 0.000 0.540 135 L N 3.078 124.263 121.223 -0.063 0.000 2.331 135 L HA 0.502 4.804 4.340 -0.063 0.000 0.278 135 L C -1.119 175.676 176.870 -0.125 0.000 1.106 135 L CA -0.209 54.477 54.840 -0.257 0.000 0.824 135 L CB 0.567 42.370 42.059 -0.426 0.000 1.142 135 L HN 0.443 nan 8.230 nan 0.000 0.443 136 V N 6.500 126.314 119.914 -0.167 0.000 2.487 136 V HA 0.455 4.537 4.120 -0.063 0.000 0.298 136 V C -0.051 175.933 176.094 -0.183 0.000 1.028 136 V CA -0.626 61.584 62.300 -0.150 0.000 0.860 136 V CB 1.502 33.219 31.823 -0.177 0.000 0.991 136 V HN 0.642 nan 8.190 nan 0.000 0.427 137 L N 4.108 125.223 121.223 -0.180 0.000 2.325 137 L HA 0.974 5.276 4.340 -0.063 0.000 0.278 137 L C 0.126 176.820 176.870 -0.292 0.000 1.023 137 L CA -0.436 54.284 54.840 -0.201 0.000 0.811 137 L CB 1.793 43.752 42.059 -0.167 0.000 1.249 137 L HN 0.780 nan 8.230 nan 0.000 0.431 138 A N 1.765 124.434 122.820 -0.252 0.000 2.587 138 A HA 0.872 5.153 4.320 -0.063 0.000 0.293 138 A C -0.893 176.615 177.584 -0.127 0.000 1.087 138 A CA -0.513 51.346 52.037 -0.296 0.000 0.692 138 A CB 1.774 20.651 19.000 -0.204 0.000 1.291 138 A HN 0.966 nan 8.150 nan 0.000 0.407 139 C N -0.623 118.621 119.300 -0.093 0.000 3.314 139 C HA 0.922 5.344 4.460 -0.063 0.000 0.344 139 C C -0.757 174.435 174.990 0.336 0.000 1.461 139 C CA -0.595 58.496 59.018 0.122 0.000 1.249 139 C CB 0.609 28.358 27.740 0.016 0.000 1.632 139 C HN 1.616 nan 8.230 nan 0.000 0.452 140 H N -0.818 118.450 119.070 0.331 0.000 2.457 140 H HA 0.646 5.163 4.556 -0.064 0.000 0.335 140 H C -0.185 175.356 175.328 0.356 0.000 1.115 140 H CA -0.323 55.956 56.048 0.386 0.000 1.219 140 H CB 0.812 30.755 29.762 0.303 0.000 1.471 140 H HN 0.878 nan 8.280 nan 0.000 0.491 141 Y N 0.877 121.358 120.300 0.302 0.000 2.458 141 Y HA 0.184 4.695 4.550 -0.064 0.000 0.256 141 Y C -0.331 175.692 175.900 0.205 0.000 1.159 141 Y CA -0.835 57.372 58.100 0.178 0.000 1.261 141 Y CB -0.030 38.528 38.460 0.164 0.000 1.119 141 Y HN 0.664 nan 8.280 nan 0.000 0.524 142 D N 1.736 122.093 120.400 -0.071 0.000 2.344 142 D HA 0.223 4.825 4.640 -0.063 0.000 0.244 142 D C -0.233 176.211 176.300 0.241 0.000 1.134 142 D CA -0.012 53.980 54.000 -0.015 0.000 0.930 142 D CB 1.798 42.590 40.800 -0.014 0.000 1.175 142 D HN 0.292 nan 8.370 nan 0.000 0.437 143 S N -0.560 115.272 115.700 0.220 0.000 2.537 143 S HA 0.348 4.780 4.470 -0.063 0.000 0.301 143 S C -0.102 174.677 174.600 0.298 0.000 1.092 143 S CA -1.134 57.266 58.200 0.333 0.000 1.048 143 S CB 2.017 65.396 63.200 0.299 0.000 1.053 143 S HN 0.562 nan 8.310 nan 0.000 0.501 144 K N 1.332 121.899 120.400 0.278 0.000 2.448 144 K HA 0.030 4.312 4.320 -0.063 0.000 0.278 144 K C -0.816 175.629 176.600 -0.258 0.000 1.009 144 K CA -0.332 55.845 56.287 -0.183 0.000 0.995 144 K CB 0.120 32.241 32.500 -0.631 0.000 0.917 144 K HN 0.713 nan 8.250 nan 0.000 0.481 145 Y N 4.926 124.928 120.300 -0.495 0.000 2.465 145 Y HA 0.214 4.726 4.550 -0.063 0.000 0.331 145 Y C -1.334 174.105 175.900 -0.768 0.000 1.102 145 Y CA 0.207 57.993 58.100 -0.522 0.000 1.358 145 Y CB 0.216 38.333 38.460 -0.571 0.000 1.213 145 Y HN 0.425 nan 8.280 nan 0.000 0.525 146 F N 3.331 122.507 119.950 -1.289 0.000 2.581 146 F HA 0.338 4.827 4.527 -0.064 0.000 0.311 146 F C -0.135 175.105 175.800 -0.934 0.000 1.113 146 F CA -0.965 56.458 58.000 -0.961 0.000 0.935 146 F CB 1.686 40.412 39.000 -0.457 0.000 1.232 146 F HN 0.506 nan 8.300 nan 0.000 0.445 147 S N 1.288 116.753 115.700 -0.393 0.000 2.593 147 S HA 0.312 4.744 4.470 -0.063 0.000 0.269 147 S C -0.333 174.359 174.600 0.154 0.000 1.334 147 S CA -0.690 57.445 58.200 -0.108 0.000 1.015 147 S CB 0.298 63.518 63.200 0.033 0.000 0.912 147 S HN 0.500 nan 8.310 nan 0.000 0.541 148 H N 0.302 119.425 119.070 0.089 0.000 2.897 148 H HA 0.249 4.766 4.556 -0.064 0.000 0.347 148 H C -0.734 174.709 175.328 0.192 0.000 1.068 148 H CA -0.352 55.771 56.048 0.126 0.000 1.426 148 H CB 0.056 29.872 29.762 0.091 0.000 1.410 148 H HN 0.820 nan 8.280 nan 0.000 0.597 149 W N 3.208 124.572 121.300 0.107 0.000 2.715 149 W HA 0.266 4.888 4.660 -0.062 0.000 0.331 149 W C -0.403 176.132 176.519 0.027 0.000 1.031 149 W CA -0.691 56.680 57.345 0.045 0.000 1.237 149 W CB 0.539 29.998 29.460 -0.001 0.000 1.378 149 W HN 0.803 nan 8.180 nan 0.000 0.454 150 N N 6.081 124.413 118.700 -0.614 0.000 2.714 150 N HA -0.347 4.355 4.740 -0.063 0.000 0.252 150 N C 0.087 175.456 175.510 -0.235 0.000 1.014 150 N CA 0.906 53.589 53.050 -0.612 0.000 0.735 150 N CB -0.766 37.018 38.487 -1.170 0.000 0.924 150 N HN 0.732 nan 8.380 nan 0.000 0.540 151 N N -1.845 116.798 118.700 -0.096 0.000 2.863 151 N HA -0.187 4.515 4.740 -0.063 0.000 0.245 151 N C -0.439 175.054 175.510 -0.029 0.000 1.001 151 N CA 1.387 54.415 53.050 -0.036 0.000 0.901 151 N CB -0.507 37.948 38.487 -0.053 0.000 1.124 151 N HN 0.574 nan 8.380 nan 0.000 0.582 152 R N 0.372 120.891 120.500 0.033 0.000 2.486 152 R HA 0.636 4.938 4.340 -0.063 0.000 0.286 152 R C -0.062 176.241 176.300 0.006 0.000 0.999 152 R CA -0.537 55.592 56.100 0.048 0.000 0.993 152 R CB 1.660 32.060 30.300 0.166 0.000 1.084 152 R HN -0.157 nan 8.270 nan 0.000 0.487 153 V N 3.013 122.894 119.914 -0.055 0.000 2.604 153 V HA 0.273 4.354 4.120 -0.063 0.000 0.305 153 V C -0.717 175.416 176.094 0.066 0.000 1.043 153 V CA -0.859 61.401 62.300 -0.067 0.000 0.888 153 V CB 1.701 33.387 31.823 -0.228 0.000 0.995 153 V HN 0.562 nan 8.190 nan 0.000 0.429 154 F N 5.222 125.180 119.950 0.014 0.000 2.438 154 F HA 0.437 4.925 4.527 -0.065 0.000 0.356 154 F C 0.903 176.740 175.800 0.062 0.000 1.099 154 F CA -0.021 57.987 58.000 0.014 0.000 1.185 154 F CB 1.435 40.482 39.000 0.079 0.000 1.115 154 F HN 0.331 nan 8.300 nan 0.000 0.526 155 V N 3.127 122.685 119.914 -0.593 0.000 3.477 155 V HA 0.388 4.470 4.120 -0.063 0.000 0.297 155 V C 0.963 176.705 176.094 -0.587 0.000 1.433 155 V CA 0.149 62.201 62.300 -0.413 0.000 1.052 155 V CB -0.303 31.384 31.823 -0.225 0.000 0.895 155 V HN 1.292 nan 8.190 nan 0.000 0.438 156 G N 1.303 109.342 108.800 -1.267 0.000 2.386 156 G HA2 -0.161 3.761 3.960 -0.063 0.000 0.295 156 G HA3 -0.161 3.761 3.960 -0.063 0.000 0.295 156 G C 0.991 175.737 174.900 -0.257 0.000 0.979 156 G CA 0.737 45.456 45.100 -0.636 0.000 1.193 156 G HN 1.408 nan 8.290 nan 0.000 0.508 157 A N 0.436 123.108 122.820 -0.246 0.000 1.877 157 A HA 0.029 4.311 4.320 -0.063 0.000 0.216 157 A C 2.664 180.195 177.584 -0.088 0.000 1.186 157 A CA 2.760 54.706 52.037 -0.153 0.000 0.620 157 A CB -0.661 18.263 19.000 -0.126 0.000 0.822 157 A HN 1.644 nan 8.150 nan 0.000 0.443 158 T N -3.576 110.962 114.554 -0.027 0.000 3.067 158 T HA 0.069 4.381 4.350 -0.063 0.000 0.261 158 T C 0.333 175.061 174.700 0.047 0.000 1.110 158 T CA 1.001 63.112 62.100 0.018 0.000 1.113 158 T CB -0.009 68.898 68.868 0.065 0.000 0.917 158 T HN 0.259 nan 8.240 nan 0.000 0.499 159 D N 0.902 121.343 120.400 0.068 0.000 2.456 159 D HA 0.390 4.992 4.640 -0.063 0.000 0.287 159 D C -0.781 175.567 176.300 0.081 0.000 1.186 159 D CA -0.495 53.605 54.000 0.167 0.000 0.916 159 D CB 0.392 41.395 40.800 0.337 0.000 1.029 159 D HN 0.081 nan 8.370 nan 0.000 0.498 160 S N 0.886 116.454 115.700 -0.219 0.000 2.526 160 S HA 0.363 4.795 4.470 -0.063 0.000 0.220 160 S C 1.217 175.748 174.600 -0.115 0.000 1.159 160 S CA -0.111 57.978 58.200 -0.185 0.000 1.196 160 S CB 0.984 63.989 63.200 -0.326 0.000 1.225 160 S HN 0.455 nan 8.310 nan 0.000 0.432 161 A N 0.779 123.545 122.820 -0.090 0.000 1.902 161 A HA -0.024 4.258 4.320 -0.063 0.000 0.217 161 A C 2.021 179.553 177.584 -0.086 0.000 1.181 161 A CA 1.620 53.610 52.037 -0.077 0.000 0.623 161 A CB -0.581 18.350 19.000 -0.116 0.000 0.818 161 A HN 0.446 nan 8.150 nan 0.000 0.443 162 V N 0.358 120.211 119.914 -0.101 0.000 2.261 162 V HA -0.155 3.927 4.120 -0.063 0.000 0.246 162 V C -0.078 175.992 176.094 -0.041 0.000 1.047 162 V CA 2.517 64.754 62.300 -0.104 0.000 1.015 162 V CB -1.408 30.359 31.823 -0.093 0.000 0.642 162 V HN 0.344 nan 8.190 nan 0.000 0.446 163 P HA -0.147 nan 4.420 nan 0.000 0.216 163 P C 1.849 179.162 177.300 0.022 0.000 1.153 163 P CA 1.740 64.843 63.100 0.004 0.000 0.858 163 P CB -0.184 31.523 31.700 0.012 0.000 0.789 164 C N -0.790 118.546 119.300 0.060 0.000 2.432 164 C HA -0.082 4.340 4.460 -0.063 0.000 0.277 164 C C 2.890 177.961 174.990 0.134 0.000 1.249 164 C CA 1.345 60.479 59.018 0.193 0.000 1.725 164 C CB -1.803 26.055 27.740 0.197 0.000 2.028 164 C HN 0.231 nan 8.230 nan 0.000 0.477 165 A N -0.011 122.831 122.820 0.036 0.000 1.933 165 A HA -0.171 4.111 4.320 -0.063 0.000 0.218 165 A C 2.112 179.703 177.584 0.012 0.000 1.175 165 A CA 1.781 53.820 52.037 0.003 0.000 0.628 165 A CB -0.556 18.401 19.000 -0.072 0.000 0.814 165 A HN 0.637 nan 8.150 nan 0.000 0.444 166 M N -1.401 118.206 119.600 0.012 0.000 2.159 166 M HA -0.127 4.315 4.480 -0.063 0.000 0.263 166 M C 2.336 178.647 176.300 0.018 0.000 1.063 166 M CA 1.635 56.946 55.300 0.019 0.000 1.110 166 M CB -0.415 32.194 32.600 0.014 0.000 1.374 166 M HN 0.410 nan 8.290 nan 0.000 0.411 167 M N -0.112 119.497 119.600 0.015 0.000 2.132 167 M HA -0.150 4.292 4.480 -0.063 0.000 0.263 167 M C 2.031 178.342 176.300 0.019 0.000 1.065 167 M CA 1.445 56.740 55.300 -0.007 0.000 1.122 167 M CB -0.304 32.243 32.600 -0.088 0.000 1.365 167 M HN 0.256 nan 8.290 nan 0.000 0.411 168 L N -0.417 120.830 121.223 0.040 0.000 2.093 168 L HA -0.186 4.115 4.340 -0.063 0.000 0.208 168 L C 2.469 179.326 176.870 -0.021 0.000 1.085 168 L CA 1.053 55.873 54.840 -0.034 0.000 0.755 168 L CB -0.659 41.345 42.059 -0.091 0.000 0.904 168 L HN 0.269 nan 8.230 nan 0.000 0.435 169 E N 0.980 121.186 120.200 0.010 0.000 2.106 169 E HA -0.228 4.084 4.350 -0.063 0.000 0.192 169 E C 2.107 178.734 176.600 0.045 0.000 0.984 169 E CA 1.102 57.521 56.400 0.031 0.000 0.806 169 E CB -0.260 29.468 29.700 0.047 0.000 0.750 169 E HN 0.423 nan 8.360 nan 0.000 0.458 170 L N -0.310 120.941 121.223 0.047 0.000 2.056 170 L HA -0.039 4.263 4.340 -0.063 0.000 0.207 170 L C 2.295 179.225 176.870 0.100 0.000 1.078 170 L CA 1.694 56.576 54.840 0.070 0.000 0.749 170 L CB -0.502 41.595 42.059 0.064 0.000 0.901 170 L HN 0.234 nan 8.230 nan 0.000 0.433 171 A N -0.005 122.867 122.820 0.086 0.000 1.902 171 A HA -0.251 4.031 4.320 -0.063 0.000 0.217 171 A C 2.485 180.160 177.584 0.151 0.000 1.181 171 A CA 1.815 53.950 52.037 0.164 0.000 0.623 171 A CB -0.669 18.316 19.000 -0.026 0.000 0.818 171 A HN 0.535 nan 8.150 nan 0.000 0.443 172 R N -0.450 120.094 120.500 0.074 0.000 2.062 172 R HA -0.074 4.228 4.340 -0.063 0.000 0.231 172 R C 2.369 178.715 176.300 0.077 0.000 1.136 172 R CA 1.434 57.574 56.100 0.067 0.000 0.948 172 R CB -0.458 29.863 30.300 0.035 0.000 0.845 172 R HN 0.419 nan 8.270 nan 0.000 0.430 173 A N 1.003 123.866 122.820 0.072 0.000 1.940 173 A HA -0.092 4.189 4.320 -0.063 0.000 0.219 173 A C 1.974 179.603 177.584 0.074 0.000 1.176 173 A CA 1.165 53.244 52.037 0.069 0.000 0.631 173 A CB -0.309 18.731 19.000 0.067 0.000 0.814 173 A HN 0.372 nan 8.150 nan 0.000 0.446 174 L N -0.721 120.558 121.223 0.093 0.000 2.628 174 L HA 0.063 4.365 4.340 -0.063 0.000 0.229 174 L C 1.555 178.483 176.870 0.096 0.000 1.137 174 L CA 0.203 55.098 54.840 0.092 0.000 0.909 174 L CB -0.228 41.894 42.059 0.105 0.000 1.137 174 L HN 0.269 nan 8.230 nan 0.000 0.470 175 D N 1.556 122.021 120.400 0.108 0.000 2.106 175 D HA -0.274 4.328 4.640 -0.063 0.000 0.191 175 D C 2.147 178.484 176.300 0.062 0.000 0.997 175 D CA 1.584 55.652 54.000 0.112 0.000 0.834 175 D CB 0.249 41.118 40.800 0.115 0.000 0.956 175 D HN 0.156 nan 8.370 nan 0.000 0.448 176 K N 0.041 120.469 120.400 0.048 0.000 2.057 176 K HA -0.169 4.112 4.320 -0.063 0.000 0.207 176 K C 2.037 178.647 176.600 0.017 0.000 1.049 176 K CA 1.228 57.532 56.287 0.028 0.000 0.931 176 K CB 0.056 32.572 32.500 0.026 0.000 0.714 176 K HN 0.028 nan 8.250 nan 0.000 0.440 177 K N 0.431 120.846 120.400 0.025 0.000 2.097 177 K HA -0.063 4.219 4.320 -0.063 0.000 0.205 177 K C 2.033 178.632 176.600 -0.002 0.000 1.050 177 K CA 1.187 57.484 56.287 0.016 0.000 0.938 177 K CB -0.034 32.483 32.500 0.029 0.000 0.718 177 K HN 0.135 nan 8.250 nan 0.000 0.442 178 L N 0.654 121.875 121.223 -0.003 0.000 2.201 178 L HA -0.129 4.173 4.340 -0.063 0.000 0.212 178 L C 2.210 179.017 176.870 -0.105 0.000 1.105 178 L CA 0.242 55.044 54.840 -0.062 0.000 0.775 178 L CB -0.336 41.684 42.059 -0.064 0.000 0.913 178 L HN 0.167 nan 8.230 nan 0.000 0.440 179 L N 0.181 121.366 121.223 -0.063 0.000 2.187 179 L HA -0.194 4.108 4.340 -0.063 0.000 0.213 179 L C 2.684 179.516 176.870 -0.063 0.000 1.100 179 L CA 1.986 56.786 54.840 -0.067 0.000 0.765 179 L CB -0.570 41.472 42.059 -0.027 0.000 0.904 179 L HN 0.348 nan 8.230 nan 0.000 0.437 180 S N -1.589 114.082 115.700 -0.048 0.000 2.507 180 S HA -0.102 4.330 4.470 -0.063 0.000 0.235 180 S C 1.812 176.378 174.600 -0.055 0.000 0.988 180 S CA 0.880 59.056 58.200 -0.041 0.000 0.944 180 S CB -0.737 62.449 63.200 -0.023 0.000 0.762 180 S HN 0.537 nan 8.310 nan 0.000 0.526 181 L N 0.565 121.739 121.223 -0.082 0.000 2.478 181 L HA 0.208 4.510 4.340 -0.063 0.000 0.223 181 L C 1.597 178.408 176.870 -0.098 0.000 1.140 181 L CA 0.265 55.048 54.840 -0.095 0.000 0.842 181 L CB -0.332 41.649 42.059 -0.129 0.000 0.953 181 L HN 0.299 nan 8.230 nan 0.000 0.452 190 D N 2.551 122.882 120.400 -0.115 0.000 2.608 190 D HA 0.300 4.902 4.640 -0.063 0.000 0.224 190 D C -0.842 175.336 176.300 -0.203 0.000 1.123 190 D CA 0.041 53.944 54.000 -0.161 0.000 1.030 190 D CB -0.068 40.614 40.800 -0.196 0.000 1.093 190 D HN 0.252 nan 8.370 nan 0.000 0.497 191 L N 1.189 122.289 121.223 -0.204 0.000 2.410 191 L HA 0.620 4.922 4.340 -0.063 0.000 0.270 191 L C -0.823 175.890 176.870 -0.262 0.000 0.983 191 L CA -0.224 54.469 54.840 -0.244 0.000 0.822 191 L CB 1.905 43.847 42.059 -0.195 0.000 1.285 191 L HN 0.050 nan 8.230 nan 0.000 0.409 192 S N 3.227 118.687 115.700 -0.400 0.000 2.998 192 S HA 0.807 5.239 4.470 -0.063 0.000 0.321 192 S C -1.832 172.706 174.600 -0.104 0.000 1.171 192 S CA -0.478 57.562 58.200 -0.267 0.000 0.882 192 S CB 0.974 64.015 63.200 -0.264 0.000 1.301 192 S HN 0.746 nan 8.310 nan 0.000 0.629 193 L N 2.026 123.280 121.223 0.052 0.000 2.362 193 L HA 0.721 5.023 4.340 -0.063 0.000 0.271 193 L C -0.836 176.185 176.870 0.251 0.000 1.002 193 L CA -0.032 54.884 54.840 0.128 0.000 0.818 193 L CB 1.765 43.870 42.059 0.075 0.000 1.298 193 L HN 0.773 nan 8.230 nan 0.000 0.420 194 Q N 3.610 123.525 119.800 0.193 0.000 2.359 194 Q HA 0.664 4.966 4.340 -0.063 0.000 0.274 194 Q C -2.133 173.892 176.000 0.041 0.000 1.074 194 Q CA -0.677 55.209 55.803 0.137 0.000 0.810 194 Q CB 1.998 30.690 28.738 -0.077 0.000 1.342 194 Q HN 0.736 nan 8.270 nan 0.000 0.427 195 L N 4.378 125.601 121.223 -0.001 0.000 2.346 195 L HA 0.634 4.936 4.340 -0.063 0.000 0.276 195 L C -0.649 176.004 176.870 -0.362 0.000 1.006 195 L CA -0.815 53.867 54.840 -0.263 0.000 0.817 195 L CB 1.732 43.591 42.059 -0.334 0.000 1.272 195 L HN 0.591 nan 8.230 nan 0.000 0.421 196 I N 2.403 122.623 120.570 -0.583 0.000 2.498 196 I HA 0.378 4.510 4.170 -0.063 0.000 0.290 196 I C -1.165 174.469 176.117 -0.806 0.000 1.032 196 I CA -0.306 60.634 61.300 -0.600 0.000 1.073 196 I CB 2.094 39.637 38.000 -0.761 0.000 1.251 196 I HN 0.368 nan 8.210 nan 0.000 0.426 197 F N 5.785 125.554 119.950 -0.301 0.000 2.382 197 F HA 0.450 4.939 4.527 -0.063 0.000 0.361 197 F C -0.221 175.672 175.800 0.155 0.000 1.109 197 F CA -0.567 57.401 58.000 -0.054 0.000 1.031 197 F CB 0.713 39.677 39.000 -0.059 0.000 1.234 197 F HN 0.166 nan 8.300 nan 0.000 0.445 198 F N 1.572 121.788 119.950 0.443 0.000 2.429 198 F HA 0.236 4.725 4.527 -0.064 0.000 0.348 198 F C 0.684 176.710 175.800 0.377 0.000 1.109 198 F CA -0.369 57.877 58.000 0.410 0.000 1.232 198 F CB 0.465 39.649 39.000 0.306 0.000 1.157 198 F HN 0.349 nan 8.300 nan 0.000 0.564 199 D N 0.409 121.134 120.400 0.541 0.000 2.332 199 D HA 0.397 4.999 4.640 -0.063 0.000 0.252 199 D C 0.729 177.243 176.300 0.357 0.000 1.050 199 D CA 0.195 54.319 54.000 0.206 0.000 0.970 199 D CB 1.522 42.507 40.800 0.307 0.000 1.141 199 D HN 0.738 nan 8.370 nan 0.000 0.485 200 G N 1.930 110.920 108.800 0.316 0.000 2.305 200 G HA2 -0.293 3.629 3.960 -0.063 0.000 0.287 200 G HA3 -0.293 3.629 3.960 -0.063 0.000 0.287 200 G C 0.877 175.941 174.900 0.273 0.000 1.036 200 G CA 0.779 46.120 45.100 0.401 0.000 0.887 200 G HN 0.576 nan 8.290 nan 0.000 0.505 201 E N -0.082 120.184 120.200 0.109 0.000 2.107 201 E HA -0.053 4.259 4.350 -0.063 0.000 0.191 201 E C 0.967 177.530 176.600 -0.062 0.000 0.982 201 E CA 0.699 57.072 56.400 -0.044 0.000 0.809 201 E CB 0.080 29.616 29.700 -0.273 0.000 0.756 201 E HN 0.687 nan 8.360 nan 0.000 0.459 202 E N 0.578 120.719 120.200 -0.099 0.000 2.366 202 E HA 0.308 4.620 4.350 -0.063 0.000 0.266 202 E C -0.369 176.210 176.600 -0.034 0.000 1.051 202 E CA -0.146 56.204 56.400 -0.083 0.000 0.884 202 E CB 1.212 30.811 29.700 -0.169 0.000 1.006 202 E HN 0.177 nan 8.360 nan 0.000 0.417 203 A N 2.060 124.884 122.820 0.008 0.000 2.407 203 A HA 0.184 4.466 4.320 -0.063 0.000 0.248 203 A C 0.424 177.972 177.584 -0.060 0.000 1.082 203 A CA -0.207 51.868 52.037 0.063 0.000 0.785 203 A CB 0.011 19.066 19.000 0.092 0.000 1.020 203 A HN 0.625 nan 8.150 nan 0.000 0.489 204 F N 0.671 120.701 119.950 0.135 0.000 2.259 204 F HA 0.034 4.523 4.527 -0.063 0.000 0.298 204 F C 1.233 177.037 175.800 0.007 0.000 1.088 204 F CA 1.094 59.154 58.000 0.100 0.000 1.358 204 F CB -0.149 38.964 39.000 0.188 0.000 1.040 204 F HN 0.389 nan 8.300 nan 0.000 0.505 205 L N -2.195 119.093 121.223 0.109 0.000 2.727 205 L HA 0.279 4.581 4.340 -0.063 0.000 0.210 205 L C 0.363 177.152 176.870 -0.135 0.000 1.934 205 L CA -0.970 53.840 54.840 -0.050 0.000 2.874 205 L CB -0.347 41.695 42.059 -0.028 0.000 2.806 205 L HN -0.209 nan 8.230 nan 0.000 0.676 206 H N -1.317 117.783 119.070 0.049 0.000 2.495 206 H HA 0.058 4.576 4.556 -0.063 0.000 0.350 206 H C -1.090 174.325 175.328 0.144 0.000 1.202 206 H CA -0.803 55.315 56.048 0.117 0.000 1.322 206 H CB 0.944 30.801 29.762 0.158 0.000 1.544 206 H HN 0.395 nan 8.280 nan 0.000 0.565 207 W N 2.583 124.030 121.300 0.245 0.000 2.391 207 W HA 0.099 4.724 4.660 -0.059 0.000 0.339 207 W C -0.204 176.377 176.519 0.103 0.000 1.252 207 W CA 0.606 58.041 57.345 0.150 0.000 1.304 207 W CB 0.277 29.836 29.460 0.165 0.000 1.179 207 W HN 0.479 nan 8.180 nan 0.000 0.567 208 S N 4.199 119.143 115.700 -1.260 0.000 2.570 208 S HA 0.494 4.926 4.470 -0.063 0.000 0.270 208 S C -2.303 171.340 174.600 -1.596 0.000 1.149 208 S CA -1.360 55.960 58.200 -1.466 0.000 0.837 208 S CB 2.166 65.014 63.200 -0.586 0.000 1.124 208 S HN 0.276 nan 8.310 nan 0.000 0.465 209 P HA -0.089 nan 4.420 nan 0.000 0.217 209 P C 1.132 178.215 177.300 -0.361 0.000 1.148 209 P CA 1.306 64.112 63.100 -0.491 0.000 0.828 209 P CB 0.099 31.664 31.700 -0.225 0.000 0.783 210 Q N -1.414 118.175 119.800 -0.352 0.000 2.402 210 Q HA 0.001 4.303 4.340 -0.063 0.000 0.206 210 Q C 0.260 176.070 176.000 -0.317 0.000 0.919 210 Q CA 0.780 56.427 55.803 -0.260 0.000 0.923 210 Q CB -0.080 28.566 28.738 -0.153 0.000 1.048 210 Q HN 0.256 nan 8.270 nan 0.000 0.515 211 D N 1.163 121.353 120.400 -0.350 0.000 2.460 211 D HA 0.265 4.866 4.640 -0.063 0.000 0.268 211 D C -1.117 175.002 176.300 -0.301 0.000 1.153 211 D CA -0.253 53.624 54.000 -0.204 0.000 0.929 211 D CB 0.083 40.875 40.800 -0.013 0.000 1.015 211 D HN 0.067 nan 8.370 nan 0.000 0.502 212 S N 1.032 116.367 115.700 -0.608 0.000 2.735 212 S HA 0.175 4.607 4.470 -0.063 0.000 0.276 212 S C -0.206 174.127 174.600 -0.444 0.000 0.957 212 S CA -0.916 57.103 58.200 -0.301 0.000 0.933 212 S CB -0.232 62.972 63.200 0.008 0.000 1.182 212 S HN 0.454 nan 8.310 nan 0.000 0.459 213 L N 0.262 121.378 121.223 -0.177 0.000 3.678 213 L HA -0.278 4.024 4.340 -0.063 0.000 0.425 213 L C 0.838 177.594 176.870 -0.190 0.000 1.240 213 L CA 0.647 55.392 54.840 -0.158 0.000 0.876 213 L CB -2.335 39.637 42.059 -0.144 0.000 1.766 213 L HN 0.822 nan 8.230 nan 0.000 0.917 214 Y N 0.347 120.584 120.300 -0.105 0.000 2.145 214 Y HA -0.150 4.362 4.550 -0.063 0.000 0.286 214 Y C 2.433 178.315 175.900 -0.030 0.000 1.145 214 Y CA 2.034 60.022 58.100 -0.187 0.000 1.148 214 Y CB -0.384 37.686 38.460 -0.650 0.000 0.981 214 Y HN 0.383 nan 8.280 nan 0.000 0.507 215 G N -0.905 108.074 108.800 0.298 0.000 2.394 215 G HA2 -0.226 3.696 3.960 -0.063 0.000 0.215 215 G HA3 -0.226 3.696 3.960 -0.063 0.000 0.215 215 G C 1.810 176.860 174.900 0.250 0.000 1.165 215 G CA 1.150 46.518 45.100 0.447 0.000 0.784 215 G HN 0.474 nan 8.290 nan 0.000 0.535 216 S N 0.485 116.142 115.700 -0.072 0.000 2.387 216 S HA 0.021 4.453 4.470 -0.063 0.000 0.226 216 S C 2.218 176.686 174.600 -0.220 0.000 1.026 216 S CA 0.713 58.751 58.200 -0.270 0.000 0.972 216 S CB -0.252 62.510 63.200 -0.729 0.000 0.814 216 S HN 0.384 nan 8.310 nan 0.000 0.477 217 R N 0.294 120.659 120.500 -0.225 0.000 2.081 217 R HA -0.088 4.214 4.340 -0.063 0.000 0.235 217 R C 2.477 178.605 176.300 -0.286 0.000 1.131 217 R CA 1.671 57.611 56.100 -0.266 0.000 0.960 217 R CB -0.611 29.559 30.300 -0.216 0.000 0.856 217 R HN 0.646 nan 8.270 nan 0.000 0.436 218 H N 0.681 119.512 119.070 -0.398 0.000 2.293 218 H HA -0.125 4.392 4.556 -0.064 0.000 0.300 218 H C 1.873 176.991 175.328 -0.350 0.000 1.082 218 H CA 1.668 57.388 56.048 -0.547 0.000 1.308 218 H CB -0.140 28.829 29.762 -1.322 0.000 1.375 218 H HN 0.056 nan 8.280 nan 0.000 0.495 219 L N 0.341 121.441 121.223 -0.204 0.000 2.093 219 L HA 0.038 4.339 4.340 -0.063 0.000 0.208 219 L C 2.459 179.220 176.870 -0.182 0.000 1.085 219 L CA 1.826 56.631 54.840 -0.059 0.000 0.755 219 L CB -1.237 41.059 42.059 0.395 0.000 0.904 219 L HN 0.435 nan 8.230 nan 0.000 0.435 220 A N -0.606 121.931 122.820 -0.471 0.000 1.902 220 A HA -0.108 4.174 4.320 -0.063 0.000 0.217 220 A C 2.437 179.737 177.584 -0.473 0.000 1.181 220 A CA 1.747 53.264 52.037 -0.867 0.000 0.623 220 A CB -1.065 17.095 19.000 -1.400 0.000 0.818 220 A HN 0.530 nan 8.150 nan 0.000 0.443 221 A N -0.387 122.182 122.820 -0.418 0.000 1.930 221 A HA -0.128 4.154 4.320 -0.063 0.000 0.217 221 A C 2.129 179.542 177.584 -0.286 0.000 1.175 221 A CA 1.904 53.749 52.037 -0.321 0.000 0.627 221 A CB -0.402 18.415 19.000 -0.305 0.000 0.815 221 A HN 0.553 nan 8.150 nan 0.000 0.443 222 K N -0.775 119.411 120.400 -0.357 0.000 2.025 222 K HA -0.062 4.220 4.320 -0.063 0.000 0.207 222 K C 2.053 178.561 176.600 -0.155 0.000 1.049 222 K CA 1.602 57.726 56.287 -0.273 0.000 0.933 222 K CB -0.244 32.049 32.500 -0.344 0.000 0.714 222 K HN 0.482 nan 8.250 nan 0.000 0.438 223 M N 0.140 119.661 119.600 -0.131 0.000 2.229 223 M HA -0.099 4.343 4.480 -0.063 0.000 0.264 223 M C 2.245 178.482 176.300 -0.105 0.000 1.063 223 M CA 1.429 56.686 55.300 -0.072 0.000 1.114 223 M CB -0.151 32.454 32.600 0.009 0.000 1.387 223 M HN 0.256 nan 8.290 nan 0.000 0.420 224 A N 0.095 122.824 122.820 -0.151 0.000 2.019 224 A HA -0.105 4.177 4.320 -0.063 0.000 0.219 224 A C 2.051 179.556 177.584 -0.131 0.000 1.164 224 A CA 1.833 53.769 52.037 -0.168 0.000 0.644 224 A CB -0.574 18.320 19.000 -0.177 0.000 0.805 224 A HN 0.561 nan 8.150 nan 0.000 0.449 225 S N -1.538 114.098 115.700 -0.106 0.000 2.575 225 S HA 0.254 4.686 4.470 -0.063 0.000 0.237 225 S C 0.075 174.653 174.600 -0.036 0.000 0.975 225 S CA -0.104 58.056 58.200 -0.068 0.000 0.960 225 S CB -0.129 63.029 63.200 -0.071 0.000 0.822 225 S HN 0.172 nan 8.310 nan 0.000 0.472 226 T N 4.729 119.265 114.554 -0.030 0.000 2.772 226 T HA 0.481 4.793 4.350 -0.063 0.000 0.288 226 T C -2.929 171.806 174.700 0.059 0.000 0.994 226 T CA -1.488 60.620 62.100 0.013 0.000 0.951 226 T CB 1.487 70.363 68.868 0.013 0.000 0.933 226 T HN 0.062 nan 8.240 nan 0.000 0.447 227 P HA 0.245 nan 4.420 nan 0.000 0.268 227 P C -0.802 176.623 177.300 0.207 0.000 1.205 227 P CA 0.002 63.178 63.100 0.127 0.000 0.771 227 P CB 0.368 32.125 31.700 0.094 0.000 0.858 228 H N 2.400 121.553 119.070 0.139 0.000 3.029 228 H HA 0.395 4.913 4.556 -0.063 0.000 0.358 228 H C -2.745 172.732 175.328 0.249 0.000 1.129 228 H CA -1.939 54.203 56.048 0.157 0.000 1.230 228 H CB 1.515 31.379 29.762 0.171 0.000 1.827 228 H HN 0.207 nan 8.280 nan 0.000 0.530 229 P HA 0.177 nan 4.420 nan 0.000 0.275 229 P C -2.605 174.571 177.300 -0.206 0.000 1.266 229 P CA -1.577 61.079 63.100 -0.740 0.000 0.793 229 P CB -0.251 31.101 31.700 -0.580 0.000 1.074 230 P HA 0.008 nan 4.420 nan 0.000 0.261 230 P C 1.013 178.301 177.300 -0.019 0.000 1.173 230 P CA 1.891 64.981 63.100 -0.018 0.000 0.760 230 P CB -0.459 31.235 31.700 -0.010 0.000 0.783 231 G N 1.910 110.718 108.800 0.012 0.000 2.195 231 G HA2 -0.189 3.733 3.960 -0.063 0.000 0.246 231 G HA3 -0.189 3.733 3.960 -0.063 0.000 0.246 231 G C 0.469 175.388 174.900 0.033 0.000 0.984 231 G CA -0.051 45.059 45.100 0.017 0.000 0.633 231 G HN 0.843 nan 8.290 nan 0.000 0.525 232 A N -0.045 122.805 122.820 0.049 0.000 2.445 232 A HA 0.669 4.951 4.320 -0.063 0.000 0.242 232 A C 1.333 178.969 177.584 0.086 0.000 1.075 232 A CA 1.067 53.157 52.037 0.088 0.000 0.777 232 A CB 0.207 19.299 19.000 0.152 0.000 1.013 232 A HN 0.501 nan 8.150 nan 0.000 0.493 233 R N 1.494 122.046 120.500 0.087 0.000 2.140 233 R HA 0.102 4.404 4.340 -0.063 0.000 0.213 233 R C 1.245 177.590 176.300 0.075 0.000 1.059 233 R CA 1.034 57.175 56.100 0.069 0.000 1.000 233 R CB 0.319 30.653 30.300 0.055 0.000 0.910 233 R HN 0.767 nan 8.270 nan 0.000 0.455 234 G N 0.597 109.456 108.800 0.097 0.000 4.385 234 G HA2 0.059 3.981 3.960 -0.063 0.000 0.283 234 G HA3 0.059 3.981 3.960 -0.063 0.000 0.283 234 G C -0.307 174.682 174.900 0.147 0.000 1.020 234 G CA -0.203 44.953 45.100 0.093 0.000 0.790 234 G HN 0.207 nan 8.290 nan 0.000 0.420 235 T N -1.176 113.510 114.554 0.220 0.000 2.893 235 T HA 0.740 5.052 4.350 -0.063 0.000 0.291 235 T C 0.009 174.910 174.700 0.335 0.000 1.028 235 T CA -0.268 62.070 62.100 0.396 0.000 0.995 235 T CB 2.141 71.224 68.868 0.358 0.000 1.051 235 T HN 0.461 nan 8.240 nan 0.000 0.470 236 S N 1.382 117.194 115.700 0.187 0.000 2.766 236 S HA 0.361 4.793 4.470 -0.063 0.000 0.307 236 S C 1.067 175.718 174.600 0.085 0.000 1.121 236 S CA -0.951 57.240 58.200 -0.014 0.000 0.980 236 S CB 1.401 64.416 63.200 -0.308 0.000 1.159 236 S HN 0.753 nan 8.310 nan 0.000 0.546 237 Q N -0.229 119.595 119.800 0.040 0.000 2.181 237 Q HA -0.017 4.285 4.340 -0.063 0.000 0.205 237 Q C 1.826 177.817 176.000 -0.014 0.000 0.980 237 Q CA 1.409 57.188 55.803 -0.040 0.000 0.862 237 Q CB -0.619 28.054 28.738 -0.109 0.000 0.905 237 Q HN 0.633 nan 8.270 nan 0.000 0.429 238 L N -0.596 120.580 121.223 -0.080 0.000 2.141 238 L HA -0.184 4.118 4.340 -0.063 0.000 0.209 238 L C 1.896 178.797 176.870 0.051 0.000 1.094 238 L CA 1.236 56.061 54.840 -0.024 0.000 0.763 238 L CB -0.541 41.469 42.059 -0.081 0.000 0.908 238 L HN 0.388 nan 8.230 nan 0.000 0.437 239 H N -0.847 118.280 119.070 0.096 0.000 2.456 239 H HA -0.080 4.437 4.556 -0.064 0.000 0.296 239 H C 2.216 177.650 175.328 0.177 0.000 1.079 239 H CA 0.573 56.644 56.048 0.039 0.000 1.322 239 H CB 0.000 29.713 29.762 -0.082 0.000 1.388 239 H HN 0.379 nan 8.280 nan 0.000 0.538 240 G N 0.241 109.316 108.800 0.458 0.000 2.650 240 G HA2 -0.053 3.869 3.960 -0.063 0.000 0.214 240 G HA3 -0.053 3.869 3.960 -0.063 0.000 0.214 240 G C 0.509 175.589 174.900 0.299 0.000 1.136 240 G CA -0.169 45.264 45.100 0.555 0.000 0.789 240 G HN 0.198 nan 8.290 nan 0.000 0.536 241 M N 1.432 121.145 119.600 0.188 0.000 2.193 241 M HA 0.206 4.648 4.480 -0.063 0.000 0.342 241 M C 0.386 176.743 176.300 0.095 0.000 1.413 241 M CA -0.347 55.015 55.300 0.103 0.000 1.191 241 M CB 1.292 33.929 32.600 0.062 0.000 1.633 241 M HN -0.098 nan 8.290 nan 0.000 0.458 242 D N 2.023 122.465 120.400 0.069 0.000 2.117 242 D HA 0.031 4.633 4.640 -0.063 0.000 0.197 242 D C -0.253 176.060 176.300 0.022 0.000 0.987 242 D CA 1.370 55.412 54.000 0.070 0.000 0.829 242 D CB 0.359 41.185 40.800 0.044 0.000 0.961 242 D HN 0.363 nan 8.370 nan 0.000 0.460 243 L N -0.649 120.519 121.223 -0.092 0.000 2.592 243 L HA 0.377 4.679 4.340 -0.063 0.000 0.258 243 L C -2.220 174.556 176.870 -0.157 0.000 0.926 243 L CA -0.899 53.869 54.840 -0.120 0.000 0.885 243 L CB 1.718 43.613 42.059 -0.273 0.000 1.380 243 L HN -0.157 nan 8.230 nan 0.000 0.415 244 L N 5.575 126.729 121.223 -0.115 0.000 2.276 244 L HA 0.698 5.000 4.340 -0.063 0.000 0.286 244 L C -1.249 175.547 176.870 -0.122 0.000 1.024 244 L CA -0.250 54.496 54.840 -0.158 0.000 0.826 244 L CB 1.518 43.461 42.059 -0.194 0.000 1.211 244 L HN 0.386 nan 8.230 nan 0.000 0.422 245 V N 6.543 126.367 119.914 -0.150 0.000 2.334 245 V HA 0.336 4.418 4.120 -0.063 0.000 0.267 245 V C -0.207 175.832 176.094 -0.091 0.000 1.040 245 V CA -0.469 61.751 62.300 -0.133 0.000 0.866 245 V CB 1.119 32.813 31.823 -0.215 0.000 1.019 245 V HN 0.642 nan 8.190 nan 0.000 0.468 246 L N 7.257 128.471 121.223 -0.014 0.000 2.287 246 L HA 0.634 4.936 4.340 -0.063 0.000 0.287 246 L C -0.748 176.203 176.870 0.135 0.000 1.022 246 L CA -0.088 54.781 54.840 0.047 0.000 0.814 246 L CB 1.266 43.330 42.059 0.009 0.000 1.217 246 L HN 0.432 nan 8.230 nan 0.000 0.420 247 L N 5.202 126.478 121.223 0.088 0.000 2.282 247 L HA 0.632 4.934 4.340 -0.063 0.000 0.288 247 L C -0.547 176.414 176.870 0.151 0.000 1.033 247 L CA 0.017 54.913 54.840 0.094 0.000 0.807 247 L CB 1.349 43.420 42.059 0.021 0.000 1.209 247 L HN 0.605 nan 8.230 nan 0.000 0.423 248 D N 2.472 122.978 120.400 0.176 0.000 2.837 248 D HA 0.506 5.108 4.640 -0.063 0.000 0.220 248 D C -0.303 176.067 176.300 0.116 0.000 1.236 248 D CA -0.433 53.672 54.000 0.175 0.000 0.838 248 D CB 1.391 42.337 40.800 0.243 0.000 1.647 248 D HN 0.406 nan 8.370 nan 0.000 0.486 249 L N 2.043 123.324 121.223 0.097 0.000 3.634 249 L HA -0.216 4.085 4.340 -0.063 0.000 0.423 249 L C -0.491 176.418 176.870 0.065 0.000 1.253 249 L CA 0.472 55.348 54.840 0.060 0.000 0.885 249 L CB -1.847 40.170 42.059 -0.069 0.000 1.789 249 L HN 0.438 nan 8.230 nan 0.000 0.904 250 I N -0.359 120.262 120.570 0.084 0.000 2.460 250 I HA 0.608 4.740 4.170 -0.063 0.000 0.298 250 I C 1.221 177.368 176.117 0.050 0.000 0.989 250 I CA 0.602 61.958 61.300 0.093 0.000 1.173 250 I CB 1.666 39.745 38.000 0.132 0.000 1.338 250 I HN 0.294 nan 8.210 nan 0.000 0.456 251 G N 3.741 112.565 108.800 0.041 0.000 2.738 251 G HA2 -0.038 3.884 3.960 -0.063 0.000 0.195 251 G HA3 -0.038 3.884 3.960 -0.063 0.000 0.195 251 G C 0.116 175.051 174.900 0.058 0.000 1.001 251 G CA -0.012 45.118 45.100 0.049 0.000 0.759 251 G HN 0.843 nan 8.290 nan 0.000 0.494 252 A N 0.678 123.519 122.820 0.035 0.000 2.257 252 A HA 0.836 5.118 4.320 -0.063 0.000 0.289 252 A C -2.283 175.313 177.584 0.021 0.000 1.095 252 A CA -1.065 50.995 52.037 0.040 0.000 0.836 252 A CB 0.283 19.307 19.000 0.039 0.000 1.111 252 A HN 0.117 nan 8.150 nan 0.000 0.497 253 P HA 0.189 nan 4.420 nan 0.000 0.274 253 P C -0.694 176.622 177.300 0.027 0.000 1.231 253 P CA -0.152 62.974 63.100 0.043 0.000 0.790 253 P CB 0.240 31.970 31.700 0.050 0.000 0.951 254 N N -1.391 117.349 118.700 0.067 0.000 2.725 254 N HA -0.111 4.591 4.740 -0.063 0.000 0.251 254 N C -2.030 173.479 175.510 -0.002 0.000 1.031 254 N CA 0.421 53.515 53.050 0.073 0.000 0.720 254 N CB -1.789 36.719 38.487 0.036 0.000 0.930 254 N HN 0.439 nan 8.380 nan 0.000 0.543 255 P HA 0.158 nan 4.420 nan 0.000 0.271 255 P C -0.141 176.975 177.300 -0.307 0.000 1.218 255 P CA 0.251 63.160 63.100 -0.318 0.000 0.780 255 P CB 0.845 32.197 31.700 -0.580 0.000 0.901 256 T N -0.574 113.749 114.554 -0.386 0.000 2.840 256 T HA 0.567 4.879 4.350 -0.063 0.000 0.287 256 T C -0.632 173.872 174.700 -0.328 0.000 0.991 256 T CA -0.588 61.395 62.100 -0.194 0.000 0.964 256 T CB 0.105 68.998 68.868 0.042 0.000 0.954 256 T HN 0.079 nan 8.240 nan 0.000 0.438 257 F N 4.691 124.615 119.950 -0.044 0.000 2.385 257 F HA 0.490 4.979 4.527 -0.062 0.000 0.360 257 F C -2.028 173.727 175.800 -0.075 0.000 1.122 257 F CA -2.418 55.568 58.000 -0.024 0.000 1.090 257 F CB 1.507 40.537 39.000 0.050 0.000 1.150 257 F HN 0.374 nan 8.300 nan 0.000 0.472 258 P HA 0.076 nan 4.420 nan 0.000 0.278 258 P C -1.013 175.598 177.300 -1.148 0.000 1.258 258 P CA -0.720 61.694 63.100 -1.144 0.000 0.811 258 P CB 0.895 31.640 31.700 -1.592 0.000 1.063 259 N N 0.702 118.560 118.700 -1.404 0.000 2.602 259 N HA 0.153 4.855 4.740 -0.063 0.000 0.238 259 N C 0.380 175.422 175.510 -0.779 0.000 1.084 259 N CA -0.345 51.859 53.050 -1.410 0.000 0.952 259 N CB -0.260 37.289 38.487 -1.563 0.000 1.244 259 N HN 0.192 nan 8.380 nan 0.000 0.512 260 F N 2.172 121.790 119.950 -0.553 0.000 2.259 260 F HA 0.107 4.600 4.527 -0.055 0.000 0.298 260 F C 0.096 175.406 175.800 -0.816 0.000 1.088 260 F CA 0.627 58.166 58.000 -0.768 0.000 1.358 260 F CB 0.163 38.383 39.000 -1.298 0.000 1.040 260 F HN 0.319 nan 8.300 nan 0.000 0.505 261 F N -0.173 119.892 119.950 0.193 0.000 2.529 261 F HA 0.357 4.850 4.527 -0.057 0.000 0.320 261 F C -1.657 174.206 175.800 0.105 0.000 1.118 261 F CA -3.150 54.944 58.000 0.155 0.000 0.915 261 F CB 0.874 39.982 39.000 0.180 0.000 1.161 261 F HN -0.363 nan 8.300 nan 0.000 0.445 262 P HA -0.152 nan 4.420 nan 0.000 0.220 262 P C 0.682 178.087 177.300 0.175 0.000 1.148 262 P CA 1.393 64.591 63.100 0.164 0.000 0.803 262 P CB 0.131 31.902 31.700 0.119 0.000 0.782 263 N N 0.005 118.831 118.700 0.210 0.000 2.461 263 N HA -0.043 4.659 4.740 -0.063 0.000 0.188 263 N C 0.877 176.535 175.510 0.245 0.000 1.134 263 N CA 0.648 53.803 53.050 0.176 0.000 0.878 263 N CB -0.820 37.743 38.487 0.128 0.000 0.972 263 N HN 0.154 nan 8.380 nan 0.000 0.456 264 S N -2.999 112.891 115.700 0.316 0.000 2.780 264 S HA 0.513 4.945 4.470 -0.063 0.000 0.248 264 S C 1.510 176.339 174.600 0.382 0.000 1.036 264 S CA -0.083 58.373 58.200 0.426 0.000 1.061 264 S CB 0.058 63.530 63.200 0.453 0.000 1.037 264 S HN 0.304 nan 8.310 nan 0.000 0.584 265 A N 3.747 126.718 122.820 0.252 0.000 1.940 265 A HA -0.162 4.120 4.320 -0.063 0.000 0.219 265 A C 2.323 180.020 177.584 0.189 0.000 1.176 265 A CA 1.620 53.778 52.037 0.201 0.000 0.631 265 A CB -0.773 18.286 19.000 0.098 0.000 0.814 265 A HN 0.768 nan 8.150 nan 0.000 0.446 266 R N -1.928 118.600 120.500 0.047 0.000 2.189 266 R HA -0.126 4.176 4.340 -0.063 0.000 0.223 266 R C 1.771 177.993 176.300 -0.130 0.000 1.092 266 R CA 1.331 57.356 56.100 -0.125 0.000 0.989 266 R CB -0.527 29.570 30.300 -0.338 0.000 0.876 266 R HN 0.661 nan 8.270 nan 0.000 0.457 267 W N 0.134 121.597 121.300 0.271 0.000 2.523 267 W HA 0.108 4.730 4.660 -0.064 0.000 0.278 267 W C 1.891 178.579 176.519 0.282 0.000 1.236 267 W CA -0.404 57.159 57.345 0.362 0.000 1.306 267 W CB -0.199 29.541 29.460 0.466 0.000 1.101 267 W HN -0.021 nan 8.180 nan 0.000 0.577 268 F N 1.937 122.059 119.950 0.287 0.000 2.134 268 F HA -0.197 4.292 4.527 -0.065 0.000 0.299 268 F C 2.048 177.894 175.800 0.075 0.000 1.097 268 F CA 1.956 60.026 58.000 0.116 0.000 1.264 268 F CB -0.292 38.778 39.000 0.116 0.000 1.001 268 F HN -0.140 nan 8.300 nan 0.000 0.479 269 E N -0.275 120.085 120.200 0.267 0.000 2.153 269 E HA -0.206 4.106 4.350 -0.063 0.000 0.194 269 E C 2.218 178.843 176.600 0.041 0.000 0.988 269 E CA 0.678 57.161 56.400 0.138 0.000 0.811 269 E CB -0.090 29.677 29.700 0.113 0.000 0.746 269 E HN 0.259 nan 8.360 nan 0.000 0.466 270 R N 0.524 121.086 120.500 0.105 0.000 2.075 270 R HA -0.056 4.246 4.340 -0.063 0.000 0.232 270 R C 2.402 178.749 176.300 0.079 0.000 1.126 270 R CA 0.775 56.963 56.100 0.147 0.000 0.963 270 R CB -0.741 29.769 30.300 0.351 0.000 0.858 270 R HN 0.261 nan 8.270 nan 0.000 0.435 271 L N 0.952 122.127 121.223 -0.081 0.000 2.042 271 L HA -0.220 4.082 4.340 -0.063 0.000 0.210 271 L C 2.582 179.214 176.870 -0.396 0.000 1.076 271 L CA 1.448 56.013 54.840 -0.460 0.000 0.749 271 L CB -0.427 40.846 42.059 -1.310 0.000 0.893 271 L HN 0.237 nan 8.230 nan 0.000 0.432 272 Q N -0.432 119.178 119.800 -0.317 0.000 2.084 272 Q HA -0.195 4.107 4.340 -0.063 0.000 0.202 272 Q C 2.444 178.480 176.000 0.059 0.000 0.978 272 Q CA 1.595 57.370 55.803 -0.047 0.000 0.844 272 Q CB -0.260 28.491 28.738 0.022 0.000 0.898 272 Q HN 0.578 nan 8.270 nan 0.000 0.426 273 A N 0.815 123.655 122.820 0.033 0.000 1.930 273 A HA -0.144 4.138 4.320 -0.063 0.000 0.217 273 A C 2.023 179.671 177.584 0.107 0.000 1.175 273 A CA 0.975 53.051 52.037 0.065 0.000 0.627 273 A CB -0.522 18.496 19.000 0.030 0.000 0.815 273 A HN 0.277 nan 8.150 nan 0.000 0.443 274 I N -0.652 119.966 120.570 0.079 0.000 2.202 274 I HA -0.255 3.877 4.170 -0.063 0.000 0.242 274 I C 2.574 178.756 176.117 0.108 0.000 1.091 274 I CA 1.780 63.134 61.300 0.090 0.000 1.368 274 I CB -0.325 37.726 38.000 0.086 0.000 1.058 274 I HN 0.544 nan 8.210 nan 0.000 0.410 275 E N 0.521 120.793 120.200 0.120 0.000 2.058 275 E HA -0.350 3.962 4.350 -0.063 0.000 0.194 275 E C 2.169 178.858 176.600 0.149 0.000 0.997 275 E CA 1.859 58.349 56.400 0.151 0.000 0.801 275 E CB -0.149 29.716 29.700 0.275 0.000 0.746 275 E HN 0.548 nan 8.360 nan 0.000 0.450 276 H N -0.202 118.927 119.070 0.098 0.000 2.321 276 H HA -0.135 4.382 4.556 -0.065 0.000 0.300 276 H C 2.077 177.480 175.328 0.125 0.000 1.087 276 H CA 2.109 58.221 56.048 0.106 0.000 1.319 276 H CB 0.079 29.886 29.762 0.075 0.000 1.379 276 H HN 0.131 nan 8.280 nan 0.000 0.501 277 E N 0.283 120.624 120.200 0.236 0.000 2.072 277 E HA -0.090 4.222 4.350 -0.063 0.000 0.190 277 E C 2.271 178.917 176.600 0.077 0.000 0.982 277 E CA 1.052 57.546 56.400 0.158 0.000 0.803 277 E CB -0.292 29.487 29.700 0.131 0.000 0.755 277 E HN 0.573 nan 8.360 nan 0.000 0.453 278 L N 0.257 121.518 121.223 0.065 0.000 2.083 278 L HA -0.209 4.093 4.340 -0.063 0.000 0.209 278 L C 2.732 179.596 176.870 -0.010 0.000 1.083 278 L CA 1.608 56.461 54.840 0.022 0.000 0.752 278 L CB -0.705 41.365 42.059 0.018 0.000 0.899 278 L HN 0.387 nan 8.230 nan 0.000 0.433 279 H N 0.510 119.519 119.070 -0.103 0.000 2.293 279 H HA -0.160 4.360 4.556 -0.060 0.000 0.300 279 H C 1.974 177.256 175.328 -0.077 0.000 1.082 279 H CA 1.609 57.594 56.048 -0.105 0.000 1.308 279 H CB 0.326 30.039 29.762 -0.081 0.000 1.375 279 H HN 0.287 nan 8.280 nan 0.000 0.495 280 E N 0.852 121.032 120.200 -0.033 0.000 2.153 280 E HA -0.105 4.207 4.350 -0.063 0.000 0.194 280 E C 2.487 179.044 176.600 -0.071 0.000 0.988 280 E CA 0.407 56.773 56.400 -0.056 0.000 0.811 280 E CB -0.152 29.555 29.700 0.011 0.000 0.746 280 E HN 0.541 nan 8.360 nan 0.000 0.466 281 L N -0.260 120.932 121.223 -0.050 0.000 2.610 281 L HA 0.066 4.368 4.340 -0.063 0.000 0.232 281 L C 1.234 178.065 176.870 -0.064 0.000 1.149 281 L CA 0.447 55.264 54.840 -0.038 0.000 0.872 281 L CB -0.298 41.754 42.059 -0.011 0.000 0.992 281 L HN 0.189 nan 8.230 nan 0.000 0.447 282 G N 0.385 109.112 108.800 -0.122 0.000 2.176 282 G HA2 -0.282 3.640 3.960 -0.063 0.000 0.252 282 G HA3 -0.282 3.640 3.960 -0.063 0.000 0.252 282 G C 0.554 175.408 174.900 -0.076 0.000 1.024 282 G CA 0.189 45.215 45.100 -0.123 0.000 0.755 282 G HN 0.369 nan 8.290 nan 0.000 0.507 283 L N -0.901 120.283 121.223 -0.066 0.000 2.607 283 L HA 0.432 4.734 4.340 -0.063 0.000 0.228 283 L C 1.221 178.078 176.870 -0.022 0.000 1.123 283 L CA 0.069 54.891 54.840 -0.029 0.000 0.890 283 L CB 0.034 42.086 42.059 -0.011 0.000 1.103 283 L HN 0.215 nan 8.230 nan 0.000 0.468 284 L N -0.243 120.952 121.223 -0.046 0.000 2.322 284 L HA 0.498 4.800 4.340 -0.063 0.000 0.269 284 L C -0.359 176.533 176.870 0.037 0.000 1.012 284 L CA -0.844 53.984 54.840 -0.020 0.000 0.815 284 L CB 1.812 43.781 42.059 -0.149 0.000 1.295 284 L HN -0.188 nan 8.230 nan 0.000 0.438 285 K N 0.580 121.035 120.400 0.092 0.000 2.221 285 K HA 0.284 4.566 4.320 -0.063 0.000 0.258 285 K C -0.961 175.734 176.600 0.157 0.000 0.944 285 K CA -0.256 56.092 56.287 0.100 0.000 0.823 285 K CB 0.955 33.502 32.500 0.079 0.000 1.113 285 K HN 0.475 nan 8.250 nan 0.000 0.431 286 D N 2.538 123.014 120.400 0.126 0.000 2.735 286 D HA -0.252 4.350 4.640 -0.063 0.000 0.235 286 D C -1.172 175.238 176.300 0.184 0.000 1.175 286 D CA 1.090 55.165 54.000 0.124 0.000 0.683 286 D CB -0.994 39.867 40.800 0.103 0.000 1.008 286 D HN 0.588 nan 8.370 nan 0.000 0.416 287 H N -0.574 118.546 119.070 0.084 0.000 2.679 287 H HA 0.546 5.065 4.556 -0.061 0.000 0.360 287 H C -0.726 174.669 175.328 0.112 0.000 1.105 287 H CA -0.222 55.873 56.048 0.079 0.000 1.196 287 H CB 1.774 31.606 29.762 0.116 0.000 1.636 287 H HN 0.140 nan 8.280 nan 0.000 0.531 288 S N 4.018 119.432 115.700 -0.476 0.000 2.599 288 S HA 0.338 4.770 4.470 -0.063 0.000 0.287 288 S C 0.925 175.153 174.600 -0.620 0.000 1.105 288 S CA -0.933 57.087 58.200 -0.301 0.000 0.899 288 S CB 1.631 64.734 63.200 -0.160 0.000 1.100 288 S HN 0.595 nan 8.310 nan 0.000 0.482 289 L N 0.784 121.694 121.223 -0.521 0.000 2.156 289 L HA 0.027 4.329 4.340 -0.063 0.000 0.208 289 L C 2.498 179.227 176.870 -0.236 0.000 1.095 289 L CA 0.900 55.490 54.840 -0.416 0.000 0.770 289 L CB -0.408 41.451 42.059 -0.333 0.000 0.914 289 L HN 0.725 nan 8.230 nan 0.000 0.439 290 E N 0.447 120.536 120.200 -0.184 0.000 2.153 290 E HA -0.130 4.182 4.350 -0.063 0.000 0.194 290 E C 1.743 178.261 176.600 -0.137 0.000 0.988 290 E CA 1.262 57.590 56.400 -0.119 0.000 0.811 290 E CB -0.119 29.529 29.700 -0.086 0.000 0.746 290 E HN 0.449 nan 8.360 nan 0.000 0.466 291 G N 2.099 110.771 108.800 -0.213 0.000 3.702 291 G HA2 0.041 3.963 3.960 -0.063 0.000 0.288 291 G HA3 0.041 3.963 3.960 -0.063 0.000 0.288 291 G C 0.397 175.101 174.900 -0.326 0.000 1.193 291 G CA -0.546 44.431 45.100 -0.205 0.000 0.952 291 G HN 0.072 nan 8.290 nan 0.000 0.544 292 R N -1.141 119.175 120.500 -0.308 0.000 2.734 292 R HA 0.129 4.431 4.340 -0.063 0.000 0.266 292 R C 0.129 176.341 176.300 -0.147 0.000 1.044 292 R CA -0.161 55.748 56.100 -0.319 0.000 1.128 292 R CB 0.492 30.739 30.300 -0.088 0.000 1.010 292 R HN 0.123 nan 8.270 nan 0.000 0.461 293 Y N 0.316 120.651 120.300 0.059 0.000 2.314 293 Y HA 0.123 4.634 4.550 -0.065 0.000 0.294 293 Y C 0.471 176.223 175.900 -0.246 0.000 1.119 293 Y CA 0.133 58.159 58.100 -0.124 0.000 1.179 293 Y CB -0.029 38.306 38.460 -0.208 0.000 1.025 293 Y HN 0.348 nan 8.280 nan 0.000 0.541 294 F N 2.125 122.291 119.950 0.361 0.000 2.303 294 F HA 0.380 4.869 4.527 -0.064 0.000 0.368 294 F C 0.005 175.994 175.800 0.317 0.000 1.105 294 F CA -1.156 56.994 58.000 0.250 0.000 1.153 294 F CB 0.307 39.188 39.000 -0.199 0.000 1.362 294 F HN -0.094 nan 8.300 nan 0.000 0.511 295 Q N 1.583 121.707 119.800 0.541 0.000 2.266 295 Q HA 0.350 4.652 4.340 -0.063 0.000 0.261 295 Q C -0.676 175.617 176.000 0.488 0.000 0.985 295 Q CA -1.266 54.815 55.803 0.463 0.000 0.873 295 Q CB 1.647 30.629 28.738 0.407 0.000 1.306 295 Q HN 0.445 nan 8.270 nan 0.000 0.447 296 N N 2.590 121.513 118.700 0.371 0.000 2.406 296 N HA 0.186 4.888 4.740 -0.063 0.000 0.274 296 N C -1.271 174.409 175.510 0.284 0.000 1.249 296 N CA 0.243 53.446 53.050 0.256 0.000 0.951 296 N CB -0.307 38.290 38.487 0.184 0.000 1.241 296 N HN 0.503 nan 8.380 nan 0.000 0.485 297 Y N -1.238 119.015 120.300 -0.078 0.000 2.368 297 Y HA 0.247 4.781 4.550 -0.027 0.000 0.331 297 Y C -0.814 174.952 175.900 -0.224 0.000 1.380 297 Y CA -1.445 56.584 58.100 -0.118 0.000 1.395 297 Y CB -0.392 38.022 38.460 -0.078 0.000 1.291 297 Y HN 0.375 nan 8.280 nan 0.000 0.463 298 S N 2.344 117.940 115.700 -0.173 0.000 2.632 298 S HA 0.675 5.107 4.470 -0.063 0.000 0.267 298 S C -1.190 173.295 174.600 -0.193 0.000 1.193 298 S CA -0.223 57.810 58.200 -0.278 0.000 1.003 298 S CB 1.595 64.713 63.200 -0.136 0.000 1.073 298 S HN 1.281 nan 8.310 nan 0.000 0.553 299 Y N -0.733 119.385 120.300 -0.303 0.000 2.274 299 Y HA 0.496 5.007 4.550 -0.065 0.000 0.323 299 Y C 0.584 176.462 175.900 -0.037 0.000 1.171 299 Y CA -0.485 57.512 58.100 -0.172 0.000 1.163 299 Y CB 0.657 38.923 38.460 -0.324 0.000 1.183 299 Y HN 0.728 nan 8.280 nan 0.000 0.424 300 G N 3.044 111.746 108.800 -0.164 0.000 2.421 300 G HA2 0.063 3.985 3.960 -0.063 0.000 0.217 300 G HA3 0.063 3.985 3.960 -0.063 0.000 0.217 300 G C 0.833 175.738 174.900 0.009 0.000 1.143 300 G CA 0.448 45.513 45.100 -0.058 0.000 0.784 300 G HN 0.915 nan 8.290 nan 0.000 0.541 301 G N -0.806 107.907 108.800 -0.146 0.000 2.684 301 G HA2 0.385 4.307 3.960 -0.063 0.000 0.255 301 G HA3 0.385 4.307 3.960 -0.063 0.000 0.255 301 G C -0.658 174.452 174.900 0.349 0.000 1.219 301 G CA -0.266 44.879 45.100 0.075 0.000 0.901 301 G HN 0.203 nan 8.290 nan 0.000 0.548 302 V N 0.409 120.457 119.914 0.224 0.000 2.532 302 V HA 0.438 4.520 4.120 -0.063 0.000 0.295 302 V C 0.110 176.292 176.094 0.147 0.000 1.041 302 V CA -0.424 61.994 62.300 0.197 0.000 0.926 302 V CB 1.572 33.456 31.823 0.100 0.000 0.992 302 V HN 0.501 nan 8.190 nan 0.000 0.457 303 I N 3.590 124.244 120.570 0.140 0.000 2.406 303 I HA 0.328 4.460 4.170 -0.063 0.000 0.290 303 I C -0.329 175.863 176.117 0.125 0.000 0.999 303 I CA -0.722 60.637 61.300 0.098 0.000 1.124 303 I CB 1.877 39.914 38.000 0.062 0.000 1.289 303 I HN 0.487 nan 8.210 nan 0.000 0.441 304 Q N 6.363 126.141 119.800 -0.036 0.000 2.281 304 Q HA 0.326 4.628 4.340 -0.063 0.000 0.267 304 Q C -0.427 175.629 176.000 0.093 0.000 1.053 304 Q CA 0.481 56.242 55.803 -0.070 0.000 0.905 304 Q CB 1.349 29.857 28.738 -0.384 0.000 1.195 304 Q HN 0.521 nan 8.270 nan 0.000 0.398 305 E N 1.117 121.380 120.200 0.104 0.000 2.442 305 E HA 0.097 4.409 4.350 -0.063 0.000 0.278 305 E C -0.447 176.168 176.600 0.026 0.000 1.082 305 E CA -0.525 55.980 56.400 0.174 0.000 0.861 305 E CB 1.149 31.096 29.700 0.410 0.000 1.462 305 E HN 0.310 nan 8.360 nan 0.000 0.458 306 D N 0.352 120.762 120.400 0.016 0.000 2.351 306 D HA -0.153 4.449 4.640 -0.063 0.000 0.216 306 D C 1.455 177.681 176.300 -0.123 0.000 0.968 306 D CA 0.955 54.841 54.000 -0.191 0.000 0.899 306 D CB -0.036 40.546 40.800 -0.363 0.000 0.907 306 D HN 0.382 nan 8.370 nan 0.000 0.514 307 H N -0.404 118.553 119.070 -0.188 0.000 2.535 307 H HA 0.033 4.551 4.556 -0.063 0.000 0.273 307 H C 2.055 177.363 175.328 -0.034 0.000 0.983 307 H CA -0.013 55.959 56.048 -0.127 0.000 1.238 307 H CB -0.222 29.341 29.762 -0.333 0.000 1.412 307 H HN 0.067 nan 8.280 nan 0.000 0.562 308 I N 2.005 122.113 120.570 -0.769 0.000 2.163 308 I HA -0.142 3.990 4.170 -0.063 0.000 0.243 308 I C -0.519 175.436 176.117 -0.271 0.000 1.085 308 I CA 1.017 61.984 61.300 -0.555 0.000 1.347 308 I CB -1.950 35.800 38.000 -0.416 0.000 1.044 308 I HN 0.248 nan 8.210 nan 0.000 0.408 309 P HA -0.112 nan 4.420 nan 0.000 0.220 309 P C 1.777 178.849 177.300 -0.380 0.000 1.148 309 P CA 1.394 64.303 63.100 -0.317 0.000 0.803 309 P CB -0.097 31.353 31.700 -0.418 0.000 0.782 310 F N -1.234 118.616 119.950 -0.167 0.000 2.219 310 F HA 0.001 4.490 4.527 -0.064 0.000 0.294 310 F C 2.206 177.931 175.800 -0.125 0.000 1.086 310 F CA 0.583 58.514 58.000 -0.114 0.000 1.330 310 F CB -1.277 37.683 39.000 -0.067 0.000 1.047 310 F HN -0.199 nan 8.300 nan 0.000 0.495 311 L N 0.743 121.970 121.223 0.007 0.000 2.046 311 L HA -0.143 4.159 4.340 -0.063 0.000 0.208 311 L C 2.156 178.970 176.870 -0.094 0.000 1.077 311 L CA 1.812 56.590 54.840 -0.102 0.000 0.747 311 L CB -0.486 41.453 42.059 -0.200 0.000 0.896 311 L HN -0.011 nan 8.230 nan 0.000 0.432 312 R N -0.785 119.650 120.500 -0.108 0.000 2.339 312 R HA 0.025 4.326 4.340 -0.063 0.000 0.199 312 R C 1.313 177.563 176.300 -0.084 0.000 1.018 312 R CA 0.495 56.540 56.100 -0.092 0.000 1.036 312 R CB -0.122 30.116 30.300 -0.103 0.000 0.899 312 R HN 0.387 nan 8.270 nan 0.000 0.473 313 R N -0.647 119.801 120.500 -0.087 0.000 2.509 313 R HA 0.146 4.448 4.340 -0.063 0.000 0.300 313 R C 0.443 176.733 176.300 -0.018 0.000 0.985 313 R CA 0.417 56.474 56.100 -0.072 0.000 1.092 313 R CB 1.337 31.560 30.300 -0.128 0.000 1.237 313 R HN 0.286 nan 8.270 nan 0.000 0.546 314 G N 0.911 109.704 108.800 -0.012 0.000 2.131 314 G HA2 -0.227 3.695 3.960 -0.063 0.000 0.223 314 G HA3 -0.227 3.695 3.960 -0.063 0.000 0.223 314 G C 0.016 174.937 174.900 0.034 0.000 0.990 314 G CA -0.202 44.905 45.100 0.011 0.000 0.671 314 G HN 0.114 nan 8.290 nan 0.000 0.521 315 V N 1.527 121.467 119.914 0.044 0.000 2.465 315 V HA 0.442 4.524 4.120 -0.063 0.000 0.279 315 V C -1.520 174.584 176.094 0.016 0.000 1.045 315 V CA -1.507 60.834 62.300 0.068 0.000 0.938 315 V CB 1.515 33.428 31.823 0.151 0.000 0.986 315 V HN 0.128 nan 8.190 nan 0.000 0.467 316 P HA 0.234 nan 4.420 nan 0.000 0.271 316 P C -0.881 176.424 177.300 0.007 0.000 1.220 316 P CA 0.068 63.187 63.100 0.031 0.000 0.768 316 P CB 0.693 32.461 31.700 0.113 0.000 0.848 317 V N 4.689 124.582 119.914 -0.035 0.000 2.604 317 V HA 0.366 4.447 4.120 -0.063 0.000 0.305 317 V C -0.375 175.850 176.094 0.218 0.000 1.043 317 V CA -0.676 61.628 62.300 0.005 0.000 0.888 317 V CB 2.015 33.761 31.823 -0.129 0.000 0.995 317 V HN 0.311 nan 8.190 nan 0.000 0.429 318 L N 4.381 125.720 121.223 0.193 0.000 2.318 318 L HA 0.484 4.786 4.340 -0.063 0.000 0.277 318 L C -0.334 176.693 176.870 0.262 0.000 1.008 318 L CA 0.009 55.016 54.840 0.278 0.000 0.846 318 L CB 0.696 42.831 42.059 0.127 0.000 1.220 318 L HN 0.758 nan 8.230 nan 0.000 0.423 319 H N 6.044 125.261 119.070 0.246 0.000 2.741 319 H HA 0.350 4.869 4.556 -0.062 0.000 0.282 319 H C -0.676 174.783 175.328 0.217 0.000 1.122 319 H CA -0.726 55.368 56.048 0.077 0.000 1.293 319 H CB 0.749 30.349 29.762 -0.269 0.000 1.415 319 H HN 0.580 nan 8.280 nan 0.000 0.472 320 L N 8.338 129.724 121.223 0.270 0.000 2.422 320 L HA 0.277 4.579 4.340 -0.063 0.000 0.256 320 L C -0.312 176.735 176.870 0.296 0.000 1.202 320 L CA 0.046 54.982 54.840 0.159 0.000 1.119 320 L CB -0.185 41.791 42.059 -0.139 0.000 1.383 320 L HN 0.567 nan 8.230 nan 0.000 0.411 321 I N 3.719 124.460 120.570 0.286 0.000 2.545 321 I HA 0.556 4.688 4.170 -0.063 0.000 0.292 321 I C -2.350 173.883 176.117 0.193 0.000 1.040 321 I CA -2.188 59.172 61.300 0.100 0.000 1.068 321 I CB 3.325 41.050 38.000 -0.459 0.000 1.251 321 I HN 0.139 nan 8.210 nan 0.000 0.424 322 P HA 0.173 nan 4.420 nan 0.000 0.276 322 P C -1.277 176.009 177.300 -0.022 0.000 1.244 322 P CA -0.402 62.511 63.100 -0.311 0.000 0.801 322 P CB 1.485 32.899 31.700 -0.476 0.000 1.006 323 S N 1.737 117.399 115.700 -0.063 0.000 2.733 323 S HA 0.523 4.955 4.470 -0.063 0.000 0.294 323 S C -2.612 171.994 174.600 0.010 0.000 1.149 323 S CA -1.650 56.552 58.200 0.003 0.000 1.034 323 S CB 0.627 63.842 63.200 0.025 0.000 1.015 323 S HN 0.268 nan 8.310 nan 0.000 0.486 324 P HA 0.343 nan 4.420 nan 0.000 0.274 324 P C -0.388 176.932 177.300 0.033 0.000 1.256 324 P CA -0.527 62.522 63.100 -0.084 0.000 0.795 324 P CB 0.308 31.945 31.700 -0.105 0.000 1.038 325 F N -0.530 119.298 119.950 -0.203 0.000 2.485 325 F HA 0.252 4.743 4.527 -0.061 0.000 0.327 325 F C -1.367 174.378 175.800 -0.092 0.000 1.203 325 F CA -2.288 55.586 58.000 -0.211 0.000 1.295 325 F CB -1.986 36.730 39.000 -0.473 0.000 1.191 325 F HN 0.158 nan 8.300 nan 0.000 0.588 326 P HA 0.011 nan 4.420 nan 0.000 0.265 326 P C 0.487 177.903 177.300 0.193 0.000 1.187 326 P CA 0.308 63.496 63.100 0.146 0.000 0.766 326 P CB 0.426 32.221 31.700 0.159 0.000 0.820 327 E N 1.224 121.505 120.200 0.135 0.000 2.209 327 E HA -0.144 4.168 4.350 -0.063 0.000 0.196 327 E C 1.350 178.063 176.600 0.188 0.000 0.993 327 E CA 1.244 57.727 56.400 0.138 0.000 0.819 327 E CB -0.187 29.566 29.700 0.089 0.000 0.745 327 E HN 0.368 nan 8.360 nan 0.000 0.477 328 V N -1.858 118.171 119.914 0.192 0.000 3.573 328 V HA 0.020 4.102 4.120 -0.063 0.000 0.270 328 V C 0.498 176.766 176.094 0.290 0.000 1.221 328 V CA -0.470 61.947 62.300 0.195 0.000 1.163 328 V CB -1.356 30.552 31.823 0.142 0.000 0.847 328 V HN 0.233 nan 8.190 nan 0.000 0.468 329 W N 2.792 124.175 121.300 0.139 0.000 2.435 329 W HA 0.100 4.725 4.660 -0.057 0.000 0.337 329 W C 1.059 177.731 176.519 0.255 0.000 1.300 329 W CA 1.159 58.600 57.345 0.159 0.000 1.298 329 W CB -0.813 28.704 29.460 0.096 0.000 1.217 329 W HN 0.602 nan 8.180 nan 0.000 0.565 330 H N 2.310 121.222 119.070 -0.263 0.000 2.820 330 H HA -0.228 4.291 4.556 -0.062 0.000 0.295 330 H C 0.347 175.510 175.328 -0.275 0.000 1.187 330 H CA 0.760 56.546 56.048 -0.437 0.000 1.144 330 H CB -1.605 27.587 29.762 -0.950 0.000 1.354 330 H HN 0.483 nan 8.280 nan 0.000 0.395 331 T N -3.695 110.916 114.554 0.095 0.000 2.907 331 T HA 0.441 4.753 4.350 -0.063 0.000 0.290 331 T C 1.216 175.973 174.700 0.095 0.000 1.066 331 T CA -1.182 60.889 62.100 -0.050 0.000 1.012 331 T CB 1.672 70.544 68.868 0.008 0.000 1.184 331 T HN 0.004 nan 8.240 nan 0.000 0.522 332 M N 0.763 120.343 119.600 -0.032 0.000 2.549 332 M HA 0.015 4.457 4.480 -0.063 0.000 0.260 332 M C 0.594 176.919 176.300 0.041 0.000 1.076 332 M CA 0.871 56.201 55.300 0.049 0.000 1.090 332 M CB -1.143 31.476 32.600 0.031 0.000 1.418 332 M HN 0.636 nan 8.290 nan 0.000 0.486 333 D N 0.391 120.819 120.400 0.046 0.000 2.349 333 D HA -0.039 4.563 4.640 -0.063 0.000 0.224 333 D C 0.228 176.553 176.300 0.041 0.000 1.029 333 D CA 0.440 54.467 54.000 0.045 0.000 0.879 333 D CB -0.118 40.715 40.800 0.055 0.000 0.906 333 D HN 0.242 nan 8.370 nan 0.000 0.528 334 D N 1.565 121.986 120.400 0.034 0.000 2.558 334 D HA 0.023 4.625 4.640 -0.063 0.000 0.221 334 D C -0.178 176.053 176.300 -0.115 0.000 1.143 334 D CA -0.276 53.723 54.000 -0.002 0.000 1.010 334 D CB -0.486 40.340 40.800 0.043 0.000 1.068 334 D HN 0.082 nan 8.370 nan 0.000 0.511 335 N N -0.169 118.501 118.700 -0.050 0.000 3.038 335 N HA 0.162 4.864 4.740 -0.063 0.000 0.307 335 N C 0.829 176.334 175.510 -0.009 0.000 1.441 335 N CA -0.761 52.252 53.050 -0.060 0.000 0.772 335 N CB 0.587 39.053 38.487 -0.035 0.000 1.651 335 N HN 0.008 nan 8.380 nan 0.000 0.593 336 E N -0.413 119.791 120.200 0.007 0.000 2.077 336 E HA -0.278 4.034 4.350 -0.063 0.000 0.193 336 E C 1.166 177.862 176.600 0.161 0.000 0.989 336 E CA 1.587 58.039 56.400 0.087 0.000 0.800 336 E CB -0.032 29.733 29.700 0.108 0.000 0.746 336 E HN 0.784 nan 8.360 nan 0.000 0.452 337 E N 0.070 120.333 120.200 0.105 0.000 2.204 337 E HA -0.204 4.108 4.350 -0.063 0.000 0.195 337 E C 1.171 177.827 176.600 0.094 0.000 0.990 337 E CA 1.668 58.125 56.400 0.096 0.000 0.821 337 E CB -0.286 29.451 29.700 0.061 0.000 0.750 337 E HN 0.268 nan 8.360 nan 0.000 0.477 338 N N 0.096 118.847 118.700 0.086 0.000 2.336 338 N HA 0.167 4.869 4.740 -0.063 0.000 0.189 338 N C -0.415 175.157 175.510 0.104 0.000 1.113 338 N CA -0.319 52.780 53.050 0.082 0.000 0.858 338 N CB 0.243 38.770 38.487 0.067 0.000 0.970 338 N HN 0.112 nan 8.380 nan 0.000 0.471 339 L N 0.361 121.675 121.223 0.153 0.000 2.436 339 L HA 0.156 4.458 4.340 -0.063 0.000 0.265 339 L C 0.197 177.193 176.870 0.209 0.000 1.168 339 L CA -0.189 54.773 54.840 0.203 0.000 0.815 339 L CB 0.548 42.801 42.059 0.323 0.000 1.109 339 L HN 0.086 nan 8.230 nan 0.000 0.462 340 D N 1.902 122.412 120.400 0.184 0.000 2.454 340 D HA 0.044 4.646 4.640 -0.063 0.000 0.225 340 D C 0.704 177.107 176.300 0.171 0.000 1.081 340 D CA -0.170 53.911 54.000 0.136 0.000 0.864 340 D CB 1.250 42.109 40.800 0.100 0.000 1.040 340 D HN 0.612 nan 8.370 nan 0.000 0.517 341 E N 2.037 122.302 120.200 0.109 0.000 2.058 341 E HA -0.229 4.083 4.350 -0.063 0.000 0.194 341 E C 1.521 178.184 176.600 0.104 0.000 0.997 341 E CA 1.564 58.006 56.400 0.070 0.000 0.801 341 E CB 0.297 29.844 29.700 -0.255 0.000 0.746 341 E HN 0.488 nan 8.360 nan 0.000 0.450 342 S N -0.605 115.141 115.700 0.076 0.000 2.402 342 S HA -0.116 4.316 4.470 -0.063 0.000 0.229 342 S C 2.058 176.753 174.600 0.158 0.000 1.021 342 S CA 1.503 59.767 58.200 0.105 0.000 0.974 342 S CB -0.522 62.736 63.200 0.096 0.000 0.800 342 S HN 0.198 nan 8.310 nan 0.000 0.484 343 T N 2.750 117.398 114.554 0.158 0.000 2.777 343 T HA 0.136 4.448 4.350 -0.063 0.000 0.266 343 T C 1.709 176.456 174.700 0.077 0.000 1.040 343 T CA 1.484 63.665 62.100 0.136 0.000 1.141 343 T CB -0.461 68.438 68.868 0.051 0.000 0.868 343 T HN 0.416 nan 8.240 nan 0.000 0.444 344 I N 1.168 121.808 120.570 0.117 0.000 2.226 344 I HA -0.159 3.973 4.170 -0.063 0.000 0.245 344 I C 2.502 178.700 176.117 0.135 0.000 1.100 344 I CA 1.260 62.636 61.300 0.126 0.000 1.374 344 I CB -0.353 37.767 38.000 0.200 0.000 1.057 344 I HN 0.160 nan 8.210 nan 0.000 0.413 345 D N 1.149 121.642 120.400 0.155 0.000 2.104 345 D HA -0.204 4.398 4.640 -0.063 0.000 0.194 345 D C 1.911 178.288 176.300 0.129 0.000 0.994 345 D CA 1.520 55.601 54.000 0.135 0.000 0.830 345 D CB -0.127 40.744 40.800 0.118 0.000 0.959 345 D HN 0.173 nan 8.370 nan 0.000 0.452 346 N N -0.126 118.670 118.700 0.159 0.000 2.120 346 N HA -0.112 4.590 4.740 -0.063 0.000 0.188 346 N C 2.033 177.662 175.510 0.197 0.000 1.024 346 N CA 0.589 53.754 53.050 0.192 0.000 0.852 346 N CB -0.442 38.247 38.487 0.336 0.000 1.003 346 N HN 0.312 nan 8.380 nan 0.000 0.424 347 L N 0.839 122.160 121.223 0.164 0.000 2.141 347 L HA -0.101 4.201 4.340 -0.063 0.000 0.209 347 L C 1.805 178.738 176.870 0.105 0.000 1.094 347 L CA 0.713 55.634 54.840 0.135 0.000 0.763 347 L CB -0.351 41.737 42.059 0.049 0.000 0.908 347 L HN 0.124 nan 8.230 nan 0.000 0.437 348 N N 0.456 119.214 118.700 0.096 0.000 2.120 348 N HA -0.166 4.536 4.740 -0.063 0.000 0.188 348 N C 1.762 177.325 175.510 0.087 0.000 1.024 348 N CA 1.256 54.355 53.050 0.083 0.000 0.852 348 N CB -0.076 38.463 38.487 0.087 0.000 1.003 348 N HN 0.334 nan 8.380 nan 0.000 0.424 349 K N 0.490 120.947 120.400 0.096 0.000 2.057 349 K HA 0.000 4.282 4.320 -0.063 0.000 0.207 349 K C 2.116 178.774 176.600 0.097 0.000 1.049 349 K CA 0.817 57.157 56.287 0.088 0.000 0.931 349 K CB -0.121 32.427 32.500 0.080 0.000 0.714 349 K HN 0.146 nan 8.250 nan 0.000 0.440 350 I N 0.842 121.481 120.570 0.115 0.000 2.179 350 I HA -0.278 3.854 4.170 -0.063 0.000 0.242 350 I C 2.319 178.497 176.117 0.102 0.000 1.088 350 I CA 0.740 62.109 61.300 0.116 0.000 1.357 350 I CB -0.181 37.922 38.000 0.172 0.000 1.051 350 I HN 0.101 nan 8.210 nan 0.000 0.409 351 L N 0.525 121.793 121.223 0.076 0.000 2.046 351 L HA -0.250 4.052 4.340 -0.063 0.000 0.208 351 L C 2.513 179.461 176.870 0.131 0.000 1.077 351 L CA 1.892 56.767 54.840 0.059 0.000 0.747 351 L CB -0.629 41.439 42.059 0.015 0.000 0.896 351 L HN 0.233 nan 8.230 nan 0.000 0.432 352 Q N -1.417 118.448 119.800 0.109 0.000 2.084 352 Q HA -0.180 4.122 4.340 -0.063 0.000 0.202 352 Q C 2.192 178.266 176.000 0.122 0.000 0.978 352 Q CA 1.854 57.723 55.803 0.110 0.000 0.844 352 Q CB -0.271 28.520 28.738 0.088 0.000 0.898 352 Q HN 0.443 nan 8.270 nan 0.000 0.426 353 V N 0.592 120.579 119.914 0.121 0.000 2.295 353 V HA -0.262 3.820 4.120 -0.063 0.000 0.246 353 V C 1.902 178.079 176.094 0.138 0.000 1.049 353 V CA 1.874 64.240 62.300 0.110 0.000 1.024 353 V CB -0.616 31.266 31.823 0.098 0.000 0.648 353 V HN 0.338 nan 8.190 nan 0.000 0.447 354 F N 0.562 120.534 119.950 0.036 0.000 2.091 354 F HA -0.229 4.260 4.527 -0.063 0.000 0.299 354 F C 2.225 178.075 175.800 0.084 0.000 1.103 354 F CA 2.071 60.103 58.000 0.053 0.000 1.228 354 F CB -0.257 38.737 39.000 -0.010 0.000 0.984 354 F HN -0.038 nan 8.300 nan 0.000 0.477 355 V N 0.641 120.715 119.914 0.267 0.000 2.358 355 V HA -0.294 3.788 4.120 -0.063 0.000 0.246 355 V C 2.416 178.569 176.094 0.098 0.000 1.047 355 V CA 1.918 64.322 62.300 0.173 0.000 1.035 355 V CB -0.641 31.281 31.823 0.166 0.000 0.658 355 V HN 0.376 nan 8.190 nan 0.000 0.452 356 L N -0.389 120.886 121.223 0.087 0.000 2.046 356 L HA -0.181 4.121 4.340 -0.063 0.000 0.208 356 L C 2.584 179.488 176.870 0.058 0.000 1.077 356 L CA 1.680 56.562 54.840 0.070 0.000 0.747 356 L CB -0.646 41.448 42.059 0.057 0.000 0.896 356 L HN 0.386 nan 8.230 nan 0.000 0.432 357 E N -0.836 119.373 120.200 0.015 0.000 2.110 357 E HA -0.257 4.055 4.350 -0.063 0.000 0.193 357 E C 2.021 178.640 176.600 0.032 0.000 0.988 357 E CA 1.294 57.684 56.400 -0.016 0.000 0.804 357 E CB -0.137 29.532 29.700 -0.052 0.000 0.745 357 E HN 0.465 nan 8.360 nan 0.000 0.458 358 Y N 0.973 121.187 120.300 -0.144 0.000 2.200 358 Y HA -0.107 4.405 4.550 -0.064 0.000 0.290 358 Y C 1.864 177.862 175.900 0.165 0.000 1.137 358 Y CA 1.150 59.194 58.100 -0.092 0.000 1.163 358 Y CB 0.173 38.359 38.460 -0.458 0.000 0.988 358 Y HN -0.064 nan 8.280 nan 0.000 0.518 359 L N -0.823 120.555 121.223 0.259 0.000 2.591 359 L HA -0.023 4.278 4.340 -0.063 0.000 0.228 359 L C -0.084 176.907 176.870 0.202 0.000 1.133 359 L CA 0.389 55.335 54.840 0.176 0.000 0.880 359 L CB -0.511 41.613 42.059 0.108 0.000 1.033 359 L HN 0.303 nan 8.230 nan 0.000 0.450 360 H N -0.807 118.275 119.070 0.020 0.000 2.819 360 H HA -0.114 4.404 4.556 -0.064 0.000 0.315 360 H C -0.315 175.013 175.328 -0.001 0.000 1.242 360 H CA 0.331 56.376 56.048 -0.004 0.000 1.157 360 H CB -1.997 27.763 29.762 -0.002 0.000 1.451 360 H HN 0.206 nan 8.280 nan 0.000 0.430 361 L N 0.000 121.284 121.223 0.101 0.000 2.949 361 L HA 0.000 4.302 4.340 -0.063 0.000 0.249 361 L CA 0.000 54.874 54.840 0.057 0.000 0.813 361 L CB 0.000 42.088 42.059 0.048 0.000 0.961 361 L HN 0.000 nan 8.230 nan 0.000 0.502