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 3e33_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.066 177.300 -0.391 0.000 1.155 17 P CA 0.000 62.880 63.100 -0.366 0.000 0.800 17 P CB 0.000 31.269 31.700 -0.718 0.000 0.726 18 V N 1.065 120.861 119.914 -0.197 0.000 2.548 18 V HA -0.053 4.067 4.120 -0.000 0.000 0.249 18 V C 1.252 177.309 176.094 -0.063 0.000 1.055 18 V CA 1.689 63.937 62.300 -0.087 0.000 1.065 18 V CB -0.441 31.399 31.823 0.028 0.000 0.681 18 V HN 0.682 nan 8.190 nan 0.000 0.462 19 W N -0.194 121.097 121.300 -0.016 0.000 2.937 19 W HA 0.274 4.934 4.660 -0.000 0.000 0.245 19 W C 0.502 177.006 176.519 -0.024 0.000 1.306 19 W CA 0.023 57.357 57.345 -0.018 0.000 1.470 19 W CB -1.187 28.264 29.460 -0.014 0.000 1.132 19 W HN 0.282 nan 8.180 nan 0.000 0.675 20 S N 2.124 117.449 115.700 -0.625 0.000 2.499 20 S HA 0.137 4.607 4.470 -0.000 0.000 0.275 20 S C -0.295 174.150 174.600 -0.258 0.000 1.257 20 S CA -0.165 57.673 58.200 -0.603 0.000 1.050 20 S CB 1.502 64.234 63.200 -0.780 0.000 0.937 20 S HN 0.104 nan 8.310 nan 0.000 0.490 21 E N 4.504 124.609 120.200 -0.158 0.000 2.130 21 E HA 0.260 4.610 4.350 -0.000 0.000 0.284 21 E C -1.620 174.901 176.600 -0.133 0.000 1.018 21 E CA -2.155 54.170 56.400 -0.124 0.000 0.817 21 E CB 0.808 30.450 29.700 -0.096 0.000 1.078 21 E HN 0.215 nan 8.360 nan 0.000 0.396 22 P HA -0.046 nan 4.420 nan 0.000 0.229 22 P C -0.090 177.155 177.300 -0.090 0.000 1.160 22 P CA 0.535 63.570 63.100 -0.108 0.000 0.777 22 P CB 0.328 31.964 31.700 -0.107 0.000 0.814 23 L N -0.070 121.078 121.223 -0.126 0.000 2.265 23 L HA 0.194 4.534 4.340 -0.000 0.000 0.288 23 L C 1.868 178.640 176.870 -0.162 0.000 1.058 23 L CA -0.776 53.978 54.840 -0.143 0.000 0.809 23 L CB 0.562 42.493 42.059 -0.212 0.000 1.179 23 L HN -0.159 nan 8.230 nan 0.000 0.429 24 Y N 2.742 122.892 120.300 -0.250 0.000 2.151 24 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 24 Y C 2.326 177.896 175.900 -0.550 0.000 1.166 24 Y CA 2.139 60.070 58.100 -0.283 0.000 1.163 24 Y CB 0.290 38.620 38.460 -0.218 0.000 0.974 24 Y HN 0.664 nan 8.280 nan 0.000 0.511 25 S N 0.076 115.339 115.700 -0.729 0.000 2.481 25 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 25 S C 1.604 175.487 174.600 -1.195 0.000 0.996 25 S CA 1.109 58.380 58.200 -1.549 0.000 0.942 25 S CB -0.190 61.870 63.200 -1.901 0.000 0.768 25 S HN 0.468 nan 8.310 nan 0.000 0.520 26 L N 0.327 121.158 121.223 -0.653 0.000 2.585 26 L HA 0.241 4.581 4.340 -0.000 0.000 0.226 26 L C 0.666 177.408 176.870 -0.214 0.000 1.113 26 L CA -0.040 54.587 54.840 -0.354 0.000 0.876 26 L CB -0.139 41.770 42.059 -0.250 0.000 1.072 26 L HN 0.068 nan 8.230 nan 0.000 0.468 27 R N 1.137 121.491 120.500 -0.244 0.000 2.643 27 R HA 0.038 4.378 4.340 -0.000 0.000 0.270 27 R C -1.311 174.963 176.300 -0.043 0.000 1.061 27 R CA -1.267 54.760 56.100 -0.123 0.000 1.107 27 R CB 0.183 30.396 30.300 -0.145 0.000 0.999 27 R HN -0.162 nan 8.270 nan 0.000 0.460 28 P HA -0.159 nan 4.420 nan 0.000 0.216 28 P C 0.198 177.518 177.300 0.033 0.000 1.150 28 P CA 1.240 64.358 63.100 0.030 0.000 0.837 28 P CB 0.263 31.986 31.700 0.039 0.000 0.786 29 E N -1.705 118.504 120.200 0.015 0.000 2.204 29 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 29 E C 1.904 178.501 176.600 -0.005 0.000 0.990 29 E CA 0.962 57.363 56.400 0.002 0.000 0.821 29 E CB -1.233 28.460 29.700 -0.011 0.000 0.750 29 E HN 0.424 nan 8.360 nan 0.000 0.477 30 H N 0.485 119.477 119.070 -0.129 0.000 2.457 30 H HA -0.028 4.528 4.556 -0.000 0.000 0.297 30 H C 1.846 177.216 175.328 0.069 0.000 1.092 30 H CA 1.490 57.453 56.048 -0.142 0.000 1.309 30 H CB -0.164 29.429 29.762 -0.281 0.000 1.382 30 H HN 0.215 nan 8.280 nan 0.000 0.535 31 A N 0.634 123.521 122.820 0.112 0.000 2.070 31 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 31 A C 2.223 179.821 177.584 0.024 0.000 1.159 31 A CA 1.250 53.360 52.037 0.121 0.000 0.656 31 A CB -0.326 18.736 19.000 0.103 0.000 0.800 31 A HN 0.466 nan 8.150 nan 0.000 0.453 32 R N -0.193 120.301 120.500 -0.010 0.000 2.316 32 R HA -0.017 4.323 4.340 -0.000 0.000 0.202 32 R C 0.531 176.804 176.300 -0.045 0.000 1.029 32 R CA 0.723 56.807 56.100 -0.026 0.000 1.018 32 R CB 0.012 30.301 30.300 -0.020 0.000 0.888 32 R HN 0.483 nan 8.270 nan 0.000 0.471 33 E N 0.631 120.791 120.200 -0.067 0.000 2.479 33 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 33 E C 0.273 176.862 176.600 -0.018 0.000 1.049 33 E CA 0.042 56.411 56.400 -0.053 0.000 0.870 33 E CB 0.241 29.844 29.700 -0.161 0.000 0.944 33 E HN 0.102 nan 8.360 nan 0.000 0.492 34 R N 0.944 121.378 120.500 -0.111 0.000 2.784 34 R HA 0.056 4.396 4.340 -0.000 0.000 0.266 34 R C 0.563 176.767 176.300 -0.160 0.000 1.044 34 R CA -0.527 55.401 56.100 -0.286 0.000 1.151 34 R CB 0.123 30.234 30.300 -0.315 0.000 1.037 34 R HN 0.052 nan 8.270 nan 0.000 0.478 35 L N 2.097 123.218 121.223 -0.170 0.000 2.540 35 L HA -0.054 4.286 4.340 -0.000 0.000 0.276 35 L C -0.143 176.683 176.870 -0.074 0.000 1.212 35 L CA 1.014 55.796 54.840 -0.096 0.000 0.893 35 L CB 0.267 42.273 42.059 -0.088 0.000 1.138 35 L HN 0.397 nan 8.230 nan 0.000 0.491 36 Q N 3.550 123.322 119.800 -0.048 0.000 2.368 36 Q HA 0.183 4.523 4.340 -0.000 0.000 0.256 36 Q C -0.163 175.822 176.000 -0.026 0.000 0.980 36 Q CA -0.290 55.492 55.803 -0.035 0.000 0.887 36 Q CB 1.018 29.740 28.738 -0.026 0.000 1.221 36 Q HN 0.729 nan 8.270 nan 0.000 0.458 37 D N 1.715 122.100 120.400 -0.026 0.000 2.328 37 D HA -0.074 4.566 4.640 -0.000 0.000 0.221 37 D C -0.399 175.894 176.300 -0.012 0.000 1.072 37 D CA -0.082 53.907 54.000 -0.018 0.000 0.850 37 D CB 0.254 41.042 40.800 -0.021 0.000 0.922 37 D HN 0.437 nan 8.370 nan 0.000 0.516 38 D N 0.036 120.429 120.400 -0.012 0.000 2.882 38 D HA -0.235 4.405 4.640 -0.000 0.000 0.229 38 D C -0.150 176.146 176.300 -0.007 0.000 1.167 38 D CA 1.142 55.138 54.000 -0.008 0.000 0.759 38 D CB -1.775 39.022 40.800 -0.004 0.000 1.088 38 D HN 0.280 nan 8.370 nan 0.000 0.425 39 S N -2.851 112.843 115.700 -0.009 0.000 3.445 39 S HA -0.230 4.240 4.470 -0.000 0.000 0.319 39 S C 0.269 174.865 174.600 -0.006 0.000 1.209 39 S CA 0.930 59.125 58.200 -0.008 0.000 0.934 39 S CB -0.874 62.322 63.200 -0.007 0.000 0.999 39 S HN 0.382 nan 8.310 nan 0.000 0.582 40 V N 1.851 121.762 119.914 -0.005 0.000 2.326 40 V HA 0.301 4.420 4.120 -0.000 0.000 0.281 40 V C 0.306 176.398 176.094 -0.003 0.000 1.015 40 V CA -0.519 61.780 62.300 -0.002 0.000 0.823 40 V CB 1.507 33.330 31.823 -0.000 0.000 1.009 40 V HN 0.319 nan 8.190 nan 0.000 0.436 41 E N 3.271 123.469 120.200 -0.003 0.000 2.227 41 E HA 0.577 4.927 4.350 -0.000 0.000 0.282 41 E C 0.054 176.655 176.600 0.001 0.000 1.015 41 E CA -0.273 56.125 56.400 -0.003 0.000 0.823 41 E CB 1.788 31.485 29.700 -0.005 0.000 1.081 41 E HN 0.817 nan 8.360 nan 0.000 0.396 42 T N -1.927 112.628 114.554 0.003 0.000 2.864 42 T HA 0.215 4.565 4.350 -0.000 0.000 0.289 42 T C 1.023 175.728 174.700 0.008 0.000 1.082 42 T CA -0.819 61.286 62.100 0.007 0.000 1.009 42 T CB 1.027 69.902 68.868 0.011 0.000 1.234 42 T HN 0.108 nan 8.240 nan 0.000 0.526 43 V N 1.148 121.069 119.914 0.012 0.000 2.324 43 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 43 V C 2.919 179.022 176.094 0.015 0.000 1.060 43 V CA 2.780 65.088 62.300 0.013 0.000 1.042 43 V CB -1.359 30.475 31.823 0.017 0.000 0.650 43 V HN 1.111 nan 8.190 nan 0.000 0.450 44 T N 0.333 114.898 114.554 0.018 0.000 2.652 44 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 44 T C 2.103 176.809 174.700 0.010 0.000 1.039 44 T CA 2.069 64.180 62.100 0.019 0.000 1.153 44 T CB -0.380 68.503 68.868 0.024 0.000 0.863 44 T HN 0.758 nan 8.240 nan 0.000 0.428 45 S N 1.318 117.021 115.700 0.005 0.000 2.383 45 S HA 0.000 4.470 4.470 -0.000 0.000 0.227 45 S C 2.113 176.707 174.600 -0.010 0.000 1.026 45 S CA 0.663 58.860 58.200 -0.005 0.000 0.981 45 S CB -0.800 62.395 63.200 -0.008 0.000 0.818 45 S HN 0.474 nan 8.310 nan 0.000 0.472 46 I N 1.901 122.468 120.570 -0.005 0.000 2.163 46 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 46 I C 2.870 178.984 176.117 -0.005 0.000 1.085 46 I CA 1.581 62.877 61.300 -0.007 0.000 1.347 46 I CB -0.349 37.650 38.000 -0.002 0.000 1.044 46 I HN 0.273 nan 8.210 nan 0.000 0.408 47 E N 0.192 120.394 120.200 0.002 0.000 2.106 47 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 47 E C 2.008 178.611 176.600 0.005 0.000 0.984 47 E CA 1.066 57.470 56.400 0.008 0.000 0.806 47 E CB -0.326 29.385 29.700 0.017 0.000 0.750 47 E HN 0.431 nan 8.360 nan 0.000 0.458 48 Q N 1.003 120.803 119.800 0.001 0.000 2.084 48 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 48 Q C 1.971 177.957 176.000 -0.024 0.000 0.978 48 Q CA 2.008 57.808 55.803 -0.005 0.000 0.844 48 Q CB -0.464 28.268 28.738 -0.010 0.000 0.898 48 Q HN 0.189 nan 8.270 nan 0.000 0.426 49 A N 0.461 123.260 122.820 -0.035 0.000 1.933 49 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 49 A C 1.996 179.552 177.584 -0.047 0.000 1.175 49 A CA 1.718 53.720 52.037 -0.058 0.000 0.628 49 A CB -0.460 18.509 19.000 -0.052 0.000 0.814 49 A HN 0.418 nan 8.150 nan 0.000 0.444 50 K N -0.526 119.859 120.400 -0.024 0.000 2.057 50 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 50 K C 1.869 178.466 176.600 -0.005 0.000 1.049 50 K CA 1.409 57.688 56.287 -0.014 0.000 0.931 50 K CB -0.335 32.162 32.500 -0.005 0.000 0.714 50 K HN 0.311 nan 8.250 nan 0.000 0.440 51 V N 1.869 121.787 119.914 0.007 0.000 2.358 51 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 51 V C 1.998 178.118 176.094 0.043 0.000 1.047 51 V CA 1.740 64.058 62.300 0.031 0.000 1.035 51 V CB -0.405 31.446 31.823 0.048 0.000 0.658 51 V HN 0.332 nan 8.190 nan 0.000 0.452 52 E N -0.289 119.916 120.200 0.007 0.000 2.077 52 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 52 E C 2.298 178.877 176.600 -0.035 0.000 0.989 52 E CA 1.312 57.690 56.400 -0.038 0.000 0.800 52 E CB -0.139 29.388 29.700 -0.288 0.000 0.746 52 E HN 0.635 nan 8.360 nan 0.000 0.452 53 E N 1.142 121.315 120.200 -0.046 0.000 2.077 53 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 53 E C 2.027 178.640 176.600 0.022 0.000 0.989 53 E CA 1.094 57.484 56.400 -0.017 0.000 0.800 53 E CB 0.103 29.789 29.700 -0.024 0.000 0.746 53 E HN -0.082 nan 8.360 nan 0.000 0.452 54 K N 0.662 121.070 120.400 0.013 0.000 2.097 54 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 54 K C 1.957 178.549 176.600 -0.013 0.000 1.049 54 K CA 0.976 57.265 56.287 0.004 0.000 0.933 54 K CB -0.187 32.313 32.500 0.000 0.000 0.717 54 K HN 0.133 nan 8.250 nan 0.000 0.442 55 I N 0.793 121.364 120.570 0.002 0.000 2.353 55 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 55 I C 2.230 178.209 176.117 -0.230 0.000 1.119 55 I CA 1.127 62.337 61.300 -0.149 0.000 1.417 55 I CB -1.201 36.773 38.000 -0.043 0.000 1.078 55 I HN 0.323 nan 8.210 nan 0.000 0.421 56 Q N 1.640 121.533 119.800 0.155 0.000 2.096 56 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 56 Q C 2.021 178.142 176.000 0.202 0.000 0.982 56 Q CA 1.818 57.818 55.803 0.329 0.000 0.850 56 Q CB -0.156 28.786 28.738 0.340 0.000 0.901 56 Q HN 0.499 nan 8.270 nan 0.000 0.422 57 E N -1.035 119.236 120.200 0.118 0.000 2.085 57 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 57 E C 1.969 178.612 176.600 0.072 0.000 0.994 57 E CA 1.501 57.970 56.400 0.115 0.000 0.801 57 E CB -0.061 29.672 29.700 0.055 0.000 0.743 57 E HN 0.206 nan 8.360 nan 0.000 0.453 58 V N 0.870 120.771 119.914 -0.021 0.000 2.261 58 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 58 V C 2.015 178.180 176.094 0.117 0.000 1.047 58 V CA 1.831 64.107 62.300 -0.040 0.000 1.015 58 V CB -0.653 31.090 31.823 -0.134 0.000 0.642 58 V HN 0.292 nan 8.190 nan 0.000 0.446 59 F N 0.400 120.417 119.950 0.111 0.000 2.126 59 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 59 F C 2.528 178.403 175.800 0.125 0.000 1.096 59 F CA 1.375 59.446 58.000 0.119 0.000 1.255 59 F CB -0.271 38.764 39.000 0.058 0.000 0.997 59 F HN 0.127 nan 8.300 nan 0.000 0.479 60 S N -0.491 115.366 115.700 0.262 0.000 2.603 60 S HA -0.086 4.384 4.470 -0.000 0.000 0.220 60 S C 1.962 176.558 174.600 -0.006 0.000 0.967 60 S CA 0.684 58.906 58.200 0.037 0.000 0.920 60 S CB -0.246 62.950 63.200 -0.007 0.000 0.773 60 S HN 0.416 nan 8.310 nan 0.000 0.529 61 S N 1.005 116.721 115.700 0.028 0.000 2.382 61 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 61 S C 1.553 176.043 174.600 -0.183 0.000 1.027 61 S CA 0.911 59.059 58.200 -0.087 0.000 0.991 61 S CB -0.794 62.262 63.200 -0.241 0.000 0.823 61 S HN 0.586 nan 8.310 nan 0.000 0.469 62 Y N 2.408 122.704 120.300 -0.008 0.000 2.145 62 Y HA -0.021 4.529 4.550 -0.000 0.000 0.286 62 Y C 2.731 178.581 175.900 -0.084 0.000 1.145 62 Y CA 1.466 59.547 58.100 -0.031 0.000 1.148 62 Y CB -0.461 37.984 38.460 -0.025 0.000 0.981 62 Y HN 0.266 nan 8.280 nan 0.000 0.507 63 K N 0.275 120.677 120.400 0.003 0.000 2.057 63 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 63 K C 1.800 178.233 176.600 -0.278 0.000 1.049 63 K CA 1.810 58.001 56.287 -0.160 0.000 0.931 63 K CB -0.554 31.759 32.500 -0.311 0.000 0.714 63 K HN 0.326 nan 8.250 nan 0.000 0.440 64 F N 1.211 121.070 119.950 -0.153 0.000 2.259 64 F HA -0.059 4.468 4.527 0.000 0.000 0.298 64 F C 1.876 177.369 175.800 -0.512 0.000 1.088 64 F CA 0.327 58.156 58.000 -0.285 0.000 1.358 64 F CB 0.017 38.934 39.000 -0.137 0.000 1.040 64 F HN 0.114 nan 8.300 nan 0.000 0.505 65 N N -0.901 117.699 118.700 -0.167 0.000 2.398 65 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 65 N C -0.381 175.086 175.510 -0.073 0.000 1.122 65 N CA 0.527 53.496 53.050 -0.134 0.000 0.866 65 N CB -0.384 38.077 38.487 -0.043 0.000 0.970 65 N HN 0.282 nan 8.380 nan 0.000 0.462 66 H N -0.585 118.539 119.070 0.091 0.000 2.756 66 H HA -0.139 4.417 4.556 -0.000 0.000 0.315 66 H C -0.433 174.937 175.328 0.070 0.000 1.210 66 H CA 0.562 56.653 56.048 0.072 0.000 1.150 66 H CB -2.118 27.682 29.762 0.063 0.000 1.463 66 H HN 0.234 nan 8.280 nan 0.000 0.427 67 L N -0.440 120.876 121.223 0.155 0.000 2.333 67 L HA 0.566 4.906 4.340 -0.000 0.000 0.263 67 L C 0.616 177.568 176.870 0.137 0.000 1.014 67 L CA -1.338 53.589 54.840 0.146 0.000 0.820 67 L CB 2.507 44.662 42.059 0.160 0.000 1.352 67 L HN 0.065 nan 8.230 nan 0.000 0.421 68 V N 1.361 121.325 119.914 0.085 0.000 2.461 68 V HA 0.414 4.534 4.120 -0.000 0.000 0.275 68 V C -2.190 173.883 176.094 -0.036 0.000 1.047 68 V CA -1.422 60.888 62.300 0.016 0.000 0.955 68 V CB 0.788 32.605 31.823 -0.010 0.000 0.988 68 V HN 0.564 nan 8.190 nan 0.000 0.471 69 P HA 0.251 nan 4.420 nan 0.000 0.264 69 P C -1.042 176.077 177.300 -0.302 0.000 1.193 69 P CA 0.230 62.942 63.100 -0.647 0.000 0.763 69 P CB 0.117 31.294 31.700 -0.873 0.000 0.810 70 R N 2.982 123.372 120.500 -0.184 0.000 2.500 70 R HA 0.463 4.803 4.340 -0.000 0.000 0.299 70 R C -1.198 175.080 176.300 -0.037 0.000 1.038 70 R CA -0.714 55.338 56.100 -0.081 0.000 0.903 70 R CB 0.687 30.976 30.300 -0.019 0.000 1.177 70 R HN 0.279 nan 8.270 nan 0.000 0.455 71 L N 3.941 125.132 121.223 -0.053 0.000 2.261 71 L HA 0.435 4.775 4.340 -0.000 0.000 0.289 71 L C -0.545 176.329 176.870 0.007 0.000 1.059 71 L CA -1.023 53.811 54.840 -0.009 0.000 0.816 71 L CB 1.422 43.467 42.059 -0.023 0.000 1.191 71 L HN 0.422 nan 8.230 nan 0.000 0.431 72 V N 4.598 124.528 119.914 0.027 0.000 2.487 72 V HA 0.272 4.392 4.120 -0.000 0.000 0.298 72 V C -0.073 176.044 176.094 0.039 0.000 1.028 72 V CA -0.677 61.637 62.300 0.023 0.000 0.860 72 V CB 2.414 34.246 31.823 0.015 0.000 0.991 72 V HN 0.472 nan 8.190 nan 0.000 0.427 73 L N 5.104 126.356 121.223 0.049 0.000 2.361 73 L HA 0.323 4.663 4.340 -0.000 0.000 0.278 73 L C 0.738 177.644 176.870 0.059 0.000 1.113 73 L CA 0.511 55.408 54.840 0.095 0.000 0.849 73 L CB 0.778 42.898 42.059 0.103 0.000 1.155 73 L HN 0.611 nan 8.230 nan 0.000 0.452 74 Q N 5.734 125.531 119.800 -0.005 0.000 3.159 74 Q HA 0.072 4.411 4.340 -0.000 0.000 0.280 74 Q C 1.031 176.866 176.000 -0.276 0.000 1.403 74 Q CA 0.168 55.845 55.803 -0.210 0.000 0.957 74 Q CB -0.150 28.376 28.738 -0.352 0.000 1.729 74 Q HN 0.718 nan 8.270 nan 0.000 0.551 75 R N 0.423 120.908 120.500 -0.026 0.000 2.096 75 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 75 R C 1.806 178.157 176.300 0.084 0.000 1.139 75 R CA 1.596 57.742 56.100 0.075 0.000 0.952 75 R CB 0.071 30.404 30.300 0.055 0.000 0.854 75 R HN 0.335 nan 8.270 nan 0.000 0.436 76 E N 0.898 121.119 120.200 0.034 0.000 2.077 76 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 76 E C 1.722 178.411 176.600 0.149 0.000 0.989 76 E CA 1.311 57.774 56.400 0.106 0.000 0.800 76 E CB 0.168 29.897 29.700 0.048 0.000 0.746 76 E HN 0.005 nan 8.360 nan 0.000 0.452 77 K N 0.009 120.405 120.400 -0.006 0.000 2.026 77 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 77 K C 2.145 178.809 176.600 0.107 0.000 1.048 77 K CA 1.504 57.778 56.287 -0.021 0.000 0.929 77 K CB -0.685 31.701 32.500 -0.191 0.000 0.713 77 K HN 0.404 nan 8.250 nan 0.000 0.439 78 H N -0.509 118.669 119.070 0.179 0.000 2.353 78 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 78 H C 2.017 177.513 175.328 0.280 0.000 1.090 78 H CA 1.065 57.243 56.048 0.218 0.000 1.327 78 H CB -0.684 29.171 29.762 0.154 0.000 1.383 78 H HN 0.155 nan 8.280 nan 0.000 0.508 79 F N 1.720 121.806 119.950 0.227 0.000 2.126 79 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 79 F C 2.872 178.767 175.800 0.159 0.000 1.096 79 F CA 1.838 59.929 58.000 0.152 0.000 1.255 79 F CB -0.452 38.607 39.000 0.098 0.000 0.997 79 F HN 0.237 nan 8.300 nan 0.000 0.479 80 H N -1.175 117.919 119.070 0.040 0.000 2.353 80 H HA -0.259 4.297 4.556 -0.000 0.000 0.300 80 H C 2.209 177.534 175.328 -0.006 0.000 1.090 80 H CA 2.169 58.178 56.048 -0.066 0.000 1.327 80 H CB -1.000 28.799 29.762 0.062 0.000 1.383 80 H HN 0.444 nan 8.280 nan 0.000 0.508 81 Y N 1.390 121.696 120.300 0.011 0.000 2.128 81 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 81 Y C 2.599 178.541 175.900 0.069 0.000 1.154 81 Y CA 1.640 59.764 58.100 0.040 0.000 1.149 81 Y CB -0.661 37.885 38.460 0.143 0.000 0.976 81 Y HN 0.142 nan 8.280 nan 0.000 0.505 82 L N 0.321 121.531 121.223 -0.023 0.000 2.027 82 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 82 L C 2.668 179.334 176.870 -0.339 0.000 1.074 82 L CA 1.901 56.650 54.840 -0.153 0.000 0.745 82 L CB -0.700 41.336 42.059 -0.039 0.000 0.898 82 L HN 0.117 nan 8.230 nan 0.000 0.433 83 K N 0.536 120.649 120.400 -0.478 0.000 2.074 83 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 83 K C 2.363 178.724 176.600 -0.398 0.000 1.048 83 K CA 1.700 57.674 56.287 -0.523 0.000 0.926 83 K CB -0.084 31.934 32.500 -0.804 0.000 0.713 83 K HN 0.141 nan 8.250 nan 0.000 0.444 84 R N -0.229 120.024 120.500 -0.412 0.000 2.062 84 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 84 R C 2.385 178.500 176.300 -0.309 0.000 1.128 84 R CA 1.587 57.490 56.100 -0.328 0.000 0.960 84 R CB -0.620 29.480 30.300 -0.333 0.000 0.855 84 R HN 0.391 nan 8.270 nan 0.000 0.432 85 G N 1.292 109.871 108.800 -0.367 0.000 2.462 85 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 85 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 85 G C 1.272 175.807 174.900 -0.609 0.000 1.121 85 G CA 0.510 45.273 45.100 -0.562 0.000 0.758 85 G HN 0.306 nan 8.290 nan 0.000 0.559 86 L N -0.341 120.585 121.223 -0.496 0.000 2.265 86 L HA 0.181 4.521 4.340 -0.000 0.000 0.215 86 L C 2.495 179.163 176.870 -0.336 0.000 1.117 86 L CA 1.558 56.156 54.840 -0.403 0.000 0.782 86 L CB -0.180 41.694 42.059 -0.309 0.000 0.914 86 L HN 0.133 nan 8.230 nan 0.000 0.441 87 R N -1.349 118.969 120.500 -0.302 0.000 2.142 87 R HA 0.281 4.621 4.340 -0.000 0.000 0.204 87 R C 0.252 176.413 176.300 -0.231 0.000 1.059 87 R CA 0.424 56.379 56.100 -0.242 0.000 1.055 87 R CB 0.298 30.484 30.300 -0.190 0.000 0.976 87 R HN 0.419 nan 8.270 nan 0.000 0.483 88 Q N -0.249 119.416 119.800 -0.226 0.000 2.340 88 Q HA 0.485 4.825 4.340 -0.000 0.000 0.276 88 Q C -1.814 174.089 176.000 -0.161 0.000 1.048 88 Q CA -0.612 55.090 55.803 -0.169 0.000 0.832 88 Q CB 1.866 30.537 28.738 -0.112 0.000 1.373 88 Q HN 0.052 nan 8.270 nan 0.000 0.409 89 L N 1.509 122.663 121.223 -0.116 0.000 2.370 89 L HA 0.593 4.933 4.340 -0.000 0.000 0.266 89 L C 0.344 177.257 176.870 0.072 0.000 1.002 89 L CA -0.899 53.904 54.840 -0.061 0.000 0.818 89 L CB 2.152 44.109 42.059 -0.170 0.000 1.325 89 L HN 0.773 nan 8.230 nan 0.000 0.418 90 T N -3.354 111.305 114.554 0.176 0.000 2.766 90 T HA 0.042 4.392 4.350 -0.000 0.000 0.295 90 T C 0.784 175.614 174.700 0.217 0.000 1.024 90 T CA -0.187 62.021 62.100 0.180 0.000 1.018 90 T CB 0.635 69.613 68.868 0.184 0.000 1.002 90 T HN 0.752 nan 8.240 nan 0.000 0.532 91 D N -0.186 120.299 120.400 0.141 0.000 2.392 91 D HA 0.023 4.663 4.640 -0.000 0.000 0.228 91 D C 1.881 178.246 176.300 0.109 0.000 1.003 91 D CA 0.769 54.840 54.000 0.119 0.000 0.917 91 D CB -0.733 40.112 40.800 0.074 0.000 0.890 91 D HN 0.680 nan 8.370 nan 0.000 0.532 92 A N -0.307 122.589 122.820 0.126 0.000 2.070 92 A HA -0.152 4.167 4.320 -0.000 0.000 0.220 92 A C 1.213 178.713 177.584 -0.139 0.000 1.159 92 A CA 0.699 52.736 52.037 0.000 0.000 0.656 92 A CB -0.896 18.101 19.000 -0.004 0.000 0.800 92 A HN 0.355 nan 8.150 nan 0.000 0.453 93 Y N -0.008 120.354 120.300 0.104 0.000 2.468 93 Y HA 0.139 4.689 4.550 0.000 0.000 0.268 93 Y C 1.855 177.813 175.900 0.096 0.000 1.177 93 Y CA 0.050 58.225 58.100 0.124 0.000 1.265 93 Y CB -0.062 38.492 38.460 0.157 0.000 1.103 93 Y HN 0.438 nan 8.280 nan 0.000 0.522 94 E N -0.243 120.040 120.200 0.138 0.000 2.130 94 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 94 E C 2.045 178.696 176.600 0.085 0.000 0.998 94 E CA 1.703 58.164 56.400 0.100 0.000 0.806 94 E CB -0.271 29.468 29.700 0.065 0.000 0.738 94 E HN 0.647 nan 8.360 nan 0.000 0.459 95 C N -0.458 118.876 119.300 0.056 0.000 2.466 95 C HA 0.081 4.541 4.460 -0.000 0.000 0.283 95 C C 1.792 176.833 174.990 0.085 0.000 1.472 95 C CA -0.121 58.924 59.018 0.046 0.000 1.765 95 C CB -1.018 26.725 27.740 0.005 0.000 1.724 95 C HN 0.216 nan 8.230 nan 0.000 0.560 96 L N 0.668 121.980 121.223 0.147 0.000 2.910 96 L HA 0.229 4.569 4.340 -0.000 0.000 0.252 96 L C 1.630 178.614 176.870 0.191 0.000 1.195 96 L CA 0.173 55.139 54.840 0.209 0.000 1.003 96 L CB -0.293 41.981 42.059 0.360 0.000 1.328 96 L HN 0.148 nan 8.230 nan 0.000 0.540 97 D N 1.417 121.902 120.400 0.143 0.000 2.263 97 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 97 D C 1.711 178.075 176.300 0.105 0.000 0.971 97 D CA 1.084 55.155 54.000 0.119 0.000 0.867 97 D CB 0.456 41.310 40.800 0.090 0.000 0.929 97 D HN 0.290 nan 8.370 nan 0.000 0.492 98 A N -0.941 121.937 122.820 0.096 0.000 2.507 98 A HA 0.392 4.712 4.320 -0.000 0.000 0.270 98 A C 0.814 178.459 177.584 0.102 0.000 1.318 98 A CA -0.246 51.833 52.037 0.071 0.000 0.924 98 A CB 0.382 19.401 19.000 0.033 0.000 1.061 98 A HN 0.037 nan 8.150 nan 0.000 0.516 99 S N -0.795 115.003 115.700 0.165 0.000 2.941 99 S HA 0.184 4.654 4.470 -0.000 0.000 0.248 99 S C 1.117 175.846 174.600 0.215 0.000 0.962 99 S CA -0.474 57.886 58.200 0.266 0.000 1.092 99 S CB 0.058 63.442 63.200 0.307 0.000 1.113 99 S HN 0.605 nan 8.310 nan 0.000 0.512 100 R N 1.728 122.332 120.500 0.173 0.000 2.115 100 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 100 R C -1.141 175.238 176.300 0.133 0.000 1.100 100 R CA 1.091 57.295 56.100 0.173 0.000 0.980 100 R CB -1.070 29.399 30.300 0.280 0.000 0.875 100 R HN 0.290 nan 8.270 nan 0.000 0.445 101 P HA -0.148 nan 4.420 nan 0.000 0.220 101 P C 0.332 177.499 177.300 -0.222 0.000 1.148 101 P CA 1.012 64.053 63.100 -0.099 0.000 0.803 101 P CB -0.055 31.495 31.700 -0.251 0.000 0.782 102 W N -0.539 120.574 121.300 -0.310 0.000 2.358 102 W HA -0.088 4.573 4.660 0.000 0.000 0.303 102 W C 2.127 178.076 176.519 -0.950 0.000 1.208 102 W CA 0.486 57.389 57.345 -0.736 0.000 1.274 102 W CB -0.938 27.930 29.460 -0.985 0.000 1.138 102 W HN -0.132 nan 8.180 nan 0.000 0.515 103 L N -0.947 120.123 121.223 -0.254 0.000 2.046 103 L HA -0.287 4.053 4.340 -0.000 0.000 0.208 103 L C 2.395 179.178 176.870 -0.145 0.000 1.077 103 L CA 1.163 55.952 54.840 -0.086 0.000 0.747 103 L CB -1.085 40.942 42.059 -0.053 0.000 0.896 103 L HN 0.073 nan 8.230 nan 0.000 0.432 104 C N -1.273 117.943 119.300 -0.139 0.000 2.413 104 C HA -0.240 4.220 4.460 -0.000 0.000 0.276 104 C C 2.749 177.679 174.990 -0.099 0.000 1.236 104 C CA 0.729 59.671 59.018 -0.128 0.000 1.735 104 C CB -0.892 26.806 27.740 -0.070 0.000 2.031 104 C HN 0.568 nan 8.230 nan 0.000 0.474 105 Y N 0.566 120.732 120.300 -0.224 0.000 2.145 105 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 105 Y C 2.311 178.210 175.900 -0.000 0.000 1.145 105 Y CA 1.449 59.436 58.100 -0.187 0.000 1.148 105 Y CB -0.683 37.586 38.460 -0.318 0.000 0.981 105 Y HN 0.372 nan 8.280 nan 0.000 0.507 106 W N 0.569 121.717 121.300 -0.253 0.000 2.338 106 W HA -0.196 4.464 4.660 0.000 0.000 0.304 106 W C 2.427 178.764 176.519 -0.304 0.000 1.212 106 W CA 1.397 58.520 57.345 -0.371 0.000 1.264 106 W CB -1.164 28.279 29.460 -0.029 0.000 1.142 106 W HN 0.206 nan 8.180 nan 0.000 0.512 107 I N -0.407 120.147 120.570 -0.025 0.000 2.233 107 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 107 I C 2.422 178.467 176.117 -0.121 0.000 1.093 107 I CA 0.962 62.190 61.300 -0.120 0.000 1.380 107 I CB -0.835 36.984 38.000 -0.301 0.000 1.067 107 I HN -0.201 nan 8.210 nan 0.000 0.413 108 L N 0.023 121.172 121.223 -0.124 0.000 2.042 108 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 108 L C 2.746 179.580 176.870 -0.059 0.000 1.076 108 L CA 1.523 56.313 54.840 -0.083 0.000 0.749 108 L CB -0.855 41.166 42.059 -0.063 0.000 0.893 108 L HN 0.344 nan 8.230 nan 0.000 0.432 109 H N -0.371 118.550 119.070 -0.248 0.000 2.357 109 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 109 H C 2.404 177.623 175.328 -0.182 0.000 1.082 109 H CA 1.634 57.529 56.048 -0.254 0.000 1.342 109 H CB 0.063 29.514 29.762 -0.518 0.000 1.389 109 H HN 0.122 nan 8.280 nan 0.000 0.511 110 S N 0.048 115.592 115.700 -0.260 0.000 2.359 110 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 110 S C 2.331 176.855 174.600 -0.128 0.000 1.035 110 S CA 1.344 59.409 58.200 -0.226 0.000 1.018 110 S CB -0.347 62.794 63.200 -0.098 0.000 0.876 110 S HN 0.366 nan 8.310 nan 0.000 0.448 111 L N 1.222 122.408 121.223 -0.061 0.000 2.083 111 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 111 L C 2.734 179.596 176.870 -0.013 0.000 1.083 111 L CA 1.483 56.335 54.840 0.020 0.000 0.752 111 L CB -0.542 41.540 42.059 0.039 0.000 0.899 111 L HN 0.430 nan 8.230 nan 0.000 0.433 112 E N 0.808 120.971 120.200 -0.061 0.000 2.077 112 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 112 E C 2.346 178.896 176.600 -0.083 0.000 0.989 112 E CA 1.172 57.541 56.400 -0.052 0.000 0.800 112 E CB -0.069 29.623 29.700 -0.012 0.000 0.746 112 E HN 0.470 nan 8.360 nan 0.000 0.452 113 L N 0.516 121.626 121.223 -0.188 0.000 2.083 113 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 113 L C 2.307 179.143 176.870 -0.057 0.000 1.083 113 L CA 0.740 55.487 54.840 -0.156 0.000 0.752 113 L CB -0.160 41.740 42.059 -0.266 0.000 0.899 113 L HN 0.250 nan 8.230 nan 0.000 0.433 114 L N -0.697 120.503 121.223 -0.038 0.000 2.627 114 L HA -0.004 4.336 4.340 -0.000 0.000 0.233 114 L C 0.375 177.241 176.870 -0.005 0.000 1.144 114 L CA -0.064 54.781 54.840 0.008 0.000 0.892 114 L CB -0.364 41.732 42.059 0.061 0.000 1.039 114 L HN 0.232 nan 8.230 nan 0.000 0.442 115 D N 1.264 121.656 120.400 -0.014 0.000 2.723 115 D HA -0.179 4.461 4.640 -0.000 0.000 0.236 115 D C -0.041 176.237 176.300 -0.036 0.000 1.138 115 D CA 0.661 54.649 54.000 -0.020 0.000 0.676 115 D CB -0.318 40.471 40.800 -0.019 0.000 1.069 115 D HN 0.271 nan 8.370 nan 0.000 0.430 116 E N 0.907 121.098 120.200 -0.015 0.000 2.156 116 E HA 0.375 4.725 4.350 -0.000 0.000 0.279 116 E C -1.923 174.691 176.600 0.024 0.000 0.965 116 E CA -1.601 54.788 56.400 -0.018 0.000 0.789 116 E CB 1.243 30.990 29.700 0.079 0.000 1.098 116 E HN 0.273 nan 8.360 nan 0.000 0.397 117 P HA 0.210 nan 4.420 nan 0.000 0.274 117 P C -0.224 177.094 177.300 0.030 0.000 1.231 117 P CA -0.400 62.705 63.100 0.008 0.000 0.790 117 P CB 0.911 32.606 31.700 -0.007 0.000 0.951 118 I N 2.863 123.437 120.570 0.006 0.000 2.306 118 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 118 I C -2.072 174.037 176.117 -0.014 0.000 1.036 118 I CA -2.925 58.373 61.300 -0.004 0.000 1.221 118 I CB -0.054 37.930 38.000 -0.027 0.000 1.385 118 I HN 0.140 nan 8.210 nan 0.000 0.472 119 P HA 0.027 nan 4.420 nan 0.000 0.265 119 P C 0.720 178.003 177.300 -0.029 0.000 1.187 119 P CA -0.128 62.964 63.100 -0.013 0.000 0.766 119 P CB 0.658 32.354 31.700 -0.008 0.000 0.820 120 Q N 1.820 121.602 119.800 -0.030 0.000 2.170 120 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 120 Q C 1.917 177.894 176.000 -0.038 0.000 0.976 120 Q CA 1.438 57.218 55.803 -0.039 0.000 0.858 120 Q CB -0.525 28.191 28.738 -0.037 0.000 0.907 120 Q HN 0.577 nan 8.270 nan 0.000 0.433 121 I N -0.252 120.298 120.570 -0.032 0.000 2.163 121 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 121 I C 2.124 178.217 176.117 -0.040 0.000 1.085 121 I CA 0.916 62.196 61.300 -0.033 0.000 1.347 121 I CB -0.209 37.774 38.000 -0.029 0.000 1.044 121 I HN 0.007 nan 8.210 nan 0.000 0.408 122 V N 0.921 120.808 119.914 -0.045 0.000 2.307 122 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 122 V C 2.712 178.771 176.094 -0.058 0.000 1.045 122 V CA 1.902 64.167 62.300 -0.058 0.000 1.024 122 V CB -1.084 30.701 31.823 -0.063 0.000 0.651 122 V HN 0.497 nan 8.190 nan 0.000 0.449 123 A N -0.465 122.321 122.820 -0.056 0.000 1.884 123 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 123 A C 2.484 180.034 177.584 -0.057 0.000 1.197 123 A CA 2.990 54.988 52.037 -0.064 0.000 0.637 123 A CB -1.245 17.711 19.000 -0.073 0.000 0.827 123 A HN 0.475 nan 8.150 nan 0.000 0.450 124 T N -1.037 113.488 114.554 -0.048 0.000 2.788 124 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 124 T C 1.552 176.240 174.700 -0.020 0.000 1.044 124 T CA 1.860 63.938 62.100 -0.036 0.000 1.139 124 T CB -0.581 68.267 68.868 -0.032 0.000 0.867 124 T HN 0.466 nan 8.240 nan 0.000 0.454 125 D N 0.447 120.833 120.400 -0.023 0.000 2.144 125 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 125 D C 2.220 178.532 176.300 0.019 0.000 0.984 125 D CA 0.734 54.728 54.000 -0.011 0.000 0.834 125 D CB -0.457 40.319 40.800 -0.039 0.000 0.955 125 D HN 0.304 nan 8.370 nan 0.000 0.465 126 V N 0.520 120.432 119.914 -0.004 0.000 2.343 126 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 126 V C 2.694 178.819 176.094 0.053 0.000 1.051 126 V CA 1.212 63.529 62.300 0.028 0.000 1.036 126 V CB -0.528 31.277 31.823 -0.029 0.000 0.654 126 V HN 0.292 nan 8.190 nan 0.000 0.451 127 C N -0.352 118.951 119.300 0.004 0.000 2.398 127 C HA -0.246 4.214 4.460 -0.000 0.000 0.276 127 C C 2.879 177.885 174.990 0.026 0.000 1.222 127 C CA 1.403 60.419 59.018 -0.002 0.000 1.746 127 C CB -1.147 26.579 27.740 -0.024 0.000 2.039 127 C HN 0.613 nan 8.230 nan 0.000 0.470 128 Q N -0.866 118.958 119.800 0.041 0.000 2.119 128 Q HA -0.170 4.170 4.340 -0.000 0.000 0.201 128 Q C 2.014 178.060 176.000 0.078 0.000 0.972 128 Q CA 1.560 57.391 55.803 0.047 0.000 0.847 128 Q CB -0.348 28.416 28.738 0.043 0.000 0.903 128 Q HN 0.779 nan 8.270 nan 0.000 0.433 129 F N 1.185 121.118 119.950 -0.029 0.000 2.146 129 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 129 F C 1.657 177.453 175.800 -0.006 0.000 1.096 129 F CA 1.190 59.173 58.000 -0.028 0.000 1.275 129 F CB -0.146 38.823 39.000 -0.052 0.000 1.008 129 F HN -0.053 nan 8.300 nan 0.000 0.480 130 L N 0.063 121.192 121.223 -0.158 0.000 2.131 130 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 130 L C 2.362 179.228 176.870 -0.005 0.000 1.092 130 L CA 1.426 56.144 54.840 -0.204 0.000 0.759 130 L CB -0.802 41.167 42.059 -0.150 0.000 0.903 130 L HN 0.210 nan 8.230 nan 0.000 0.435 131 E N 0.351 120.552 120.200 0.002 0.000 2.085 131 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 131 E C 2.300 178.856 176.600 -0.074 0.000 0.994 131 E CA 1.118 57.522 56.400 0.007 0.000 0.801 131 E CB -0.133 29.567 29.700 0.000 0.000 0.743 131 E HN 0.485 nan 8.360 nan 0.000 0.453 132 L N 0.094 121.238 121.223 -0.132 0.000 2.275 132 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 132 L C 2.178 178.925 176.870 -0.205 0.000 1.119 132 L CA 0.412 55.161 54.840 -0.152 0.000 0.790 132 L CB -0.115 41.864 42.059 -0.132 0.000 0.919 132 L HN 0.298 nan 8.230 nan 0.000 0.443 133 C N -1.059 118.080 119.300 -0.268 0.000 2.594 133 C HA 0.002 4.462 4.460 -0.000 0.000 0.265 133 C C 1.466 176.395 174.990 -0.102 0.000 1.351 133 C CA -0.430 58.467 59.018 -0.202 0.000 1.744 133 C CB -0.771 26.812 27.740 -0.262 0.000 1.890 133 C HN 0.397 nan 8.230 nan 0.000 0.551 134 Q N 1.565 121.264 119.800 -0.169 0.000 2.304 134 Q HA 0.203 4.543 4.340 -0.000 0.000 0.260 134 Q C 0.224 176.018 176.000 -0.343 0.000 0.965 134 Q CA 0.117 55.622 55.803 -0.498 0.000 0.898 134 Q CB 0.683 29.025 28.738 -0.661 0.000 1.196 134 Q HN 0.432 nan 8.270 nan 0.000 0.402 135 S N 3.983 119.461 115.700 -0.370 0.000 2.580 135 S HA 0.223 4.693 4.470 -0.000 0.000 0.274 135 S C -1.767 172.708 174.600 -0.209 0.000 1.329 135 S CA -1.413 56.646 58.200 -0.235 0.000 1.036 135 S CB 0.713 63.773 63.200 -0.233 0.000 0.919 135 S HN 0.587 nan 8.310 nan 0.000 0.515 136 P HA -0.031 nan 4.420 nan 0.000 0.218 136 P C 0.164 177.414 177.300 -0.082 0.000 1.148 136 P CA 1.073 64.118 63.100 -0.090 0.000 0.822 136 P CB 0.070 31.742 31.700 -0.048 0.000 0.784 137 D N -0.966 119.387 120.400 -0.078 0.000 2.342 137 D HA 0.274 4.914 4.640 -0.000 0.000 0.221 137 D C 0.989 177.251 176.300 -0.064 0.000 1.101 137 D CA 0.499 54.475 54.000 -0.040 0.000 0.837 137 D CB 0.290 41.095 40.800 0.008 0.000 0.938 137 D HN 0.120 nan 8.370 nan 0.000 0.508 138 G N -0.091 108.597 108.800 -0.187 0.000 2.650 138 G HA2 0.373 4.333 3.960 -0.000 0.000 0.686 138 G HA3 0.373 4.333 3.960 -0.000 0.000 0.686 138 G C 0.184 174.744 174.900 -0.567 0.000 1.205 138 G CA -0.438 44.511 45.100 -0.252 0.000 0.781 138 G HN 0.627 nan 8.290 nan 0.000 0.648 139 G N -0.933 107.542 108.800 -0.541 0.000 2.795 139 G HA2 0.356 4.316 3.960 -0.000 0.000 0.664 139 G HA3 0.356 4.316 3.960 -0.000 0.000 0.664 139 G C -0.501 174.017 174.900 -0.636 0.000 1.381 139 G CA 0.098 44.853 45.100 -0.574 0.000 0.853 139 G HN 1.751 nan 8.290 nan 0.000 0.545 140 F N 0.510 120.322 119.950 -0.231 0.000 2.532 140 F HA 0.690 5.217 4.527 -0.000 0.000 0.321 140 F C 1.134 176.858 175.800 -0.128 0.000 1.089 140 F CA 0.270 58.160 58.000 -0.183 0.000 0.926 140 F CB 2.153 41.046 39.000 -0.178 0.000 1.168 140 F HN 0.806 nan 8.300 nan 0.000 0.459 141 G N 0.172 108.999 108.800 0.045 0.000 2.535 141 G HA2 0.428 4.388 3.960 -0.000 0.000 0.303 141 G HA3 0.428 4.388 3.960 -0.000 0.000 0.303 141 G C 0.869 175.784 174.900 0.025 0.000 1.237 141 G CA -0.391 44.732 45.100 0.039 0.000 0.986 141 G HN 0.892 nan 8.290 nan 0.000 0.494 142 G N -1.778 107.036 108.800 0.022 0.000 2.744 142 G HA2 0.451 4.411 3.960 -0.000 0.000 0.211 142 G HA3 0.451 4.411 3.960 -0.000 0.000 0.211 142 G C 0.667 175.600 174.900 0.055 0.000 1.143 142 G CA 0.985 46.108 45.100 0.037 0.000 0.788 142 G HN 1.269 nan 8.290 nan 0.000 0.534 143 G N -1.375 107.432 108.800 0.010 0.000 2.451 143 G HA2 0.471 4.431 3.960 -0.000 0.000 0.292 143 G HA3 0.471 4.431 3.960 -0.000 0.000 0.292 143 G C -3.483 171.383 174.900 -0.055 0.000 1.427 143 G CA -0.953 44.163 45.100 0.028 0.000 0.792 143 G HN -0.102 nan 8.290 nan 0.000 0.498 144 P HA 0.369 nan 4.420 nan 0.000 0.267 144 P C 0.960 178.221 177.300 -0.064 0.000 1.205 144 P CA 1.833 64.885 63.100 -0.081 0.000 0.765 144 P CB 1.136 32.818 31.700 -0.030 0.000 0.828 145 G N 1.751 110.497 108.800 -0.089 0.000 2.176 145 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 145 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 145 G C 0.072 174.868 174.900 -0.173 0.000 0.979 145 G CA -0.328 44.707 45.100 -0.110 0.000 0.641 145 G HN 0.556 nan 8.290 nan 0.000 0.530 146 Q N -0.541 119.175 119.800 -0.140 0.000 2.227 146 Q HA 0.563 4.903 4.340 -0.000 0.000 0.245 146 Q C -0.036 175.894 176.000 -0.117 0.000 0.926 146 Q CA -0.786 54.919 55.803 -0.164 0.000 0.895 146 Q CB 1.023 29.720 28.738 -0.069 0.000 1.230 146 Q HN 0.461 nan 8.270 nan 0.000 0.450 147 Y N 1.945 122.246 120.300 0.000 0.000 2.550 147 Y HA 0.034 4.584 4.550 -0.000 0.000 0.343 147 Y C -1.565 174.338 175.900 0.005 0.000 1.245 147 Y CA -1.570 56.535 58.100 0.009 0.000 1.462 147 Y CB 0.065 38.560 38.460 0.059 0.000 1.340 147 Y HN 0.449 nan 8.280 nan 0.000 0.604 148 P HA 0.030 nan 4.420 nan 0.000 0.274 148 P C -1.066 176.384 177.300 0.250 0.000 1.237 148 P CA 0.375 63.466 63.100 -0.015 0.000 0.793 148 P CB 1.130 32.514 31.700 -0.526 0.000 0.977 149 H N 1.205 120.376 119.070 0.169 0.000 3.085 149 H HA 0.177 4.733 4.556 -0.000 0.000 0.356 149 H C 0.534 176.042 175.328 0.299 0.000 1.178 149 H CA -0.528 55.695 56.048 0.291 0.000 1.214 149 H CB 1.367 31.222 29.762 0.154 0.000 1.881 149 H HN 0.196 nan 8.280 nan 0.000 0.538 150 L N 2.771 124.199 121.223 0.341 0.000 2.191 150 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 150 L C 2.442 179.529 176.870 0.362 0.000 1.103 150 L CA 1.483 56.511 54.840 0.313 0.000 0.769 150 L CB -0.381 41.767 42.059 0.148 0.000 0.908 150 L HN 0.673 nan 8.230 nan 0.000 0.438 151 A N 0.813 124.010 122.820 0.627 0.000 1.855 151 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 151 A C -0.157 177.460 177.584 0.054 0.000 1.191 151 A CA 1.334 53.691 52.037 0.533 0.000 0.613 151 A CB -1.756 17.743 19.000 0.832 0.000 0.829 151 A HN 0.270 nan 8.150 nan 0.000 0.442 152 P HA -0.081 nan 4.420 nan 0.000 0.221 152 P C 1.258 178.428 177.300 -0.217 0.000 1.150 152 P CA 1.546 64.493 63.100 -0.256 0.000 0.800 152 P CB -0.354 31.318 31.700 -0.047 0.000 0.787 153 T N -0.490 114.077 114.554 0.022 0.000 2.674 153 T HA -0.212 4.138 4.350 -0.000 0.000 0.265 153 T C 1.703 176.332 174.700 -0.118 0.000 1.039 153 T CA 1.423 63.575 62.100 0.087 0.000 1.150 153 T CB -1.212 67.797 68.868 0.236 0.000 0.864 153 T HN 0.087 nan 8.240 nan 0.000 0.427 154 Y N 2.268 122.423 120.300 -0.243 0.000 2.128 154 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 154 Y C 2.522 178.064 175.900 -0.596 0.000 1.154 154 Y CA 1.220 59.106 58.100 -0.356 0.000 1.149 154 Y CB -0.813 37.480 38.460 -0.279 0.000 0.976 154 Y HN 0.172 nan 8.280 nan 0.000 0.505 155 A N 0.770 123.030 122.820 -0.934 0.000 1.877 155 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 155 A C 2.454 179.561 177.584 -0.794 0.000 1.186 155 A CA 2.179 53.525 52.037 -1.152 0.000 0.620 155 A CB -1.615 16.560 19.000 -1.375 0.000 0.822 155 A HN 0.685 nan 8.150 nan 0.000 0.443 156 A N -0.671 121.713 122.820 -0.728 0.000 1.902 156 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 156 A C 2.237 179.393 177.584 -0.714 0.000 1.181 156 A CA 1.829 53.382 52.037 -0.806 0.000 0.623 156 A CB -0.942 17.217 19.000 -1.403 0.000 0.818 156 A HN 0.406 nan 8.150 nan 0.000 0.443 157 V N 0.764 120.296 119.914 -0.636 0.000 2.358 157 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 157 V C 2.333 178.202 176.094 -0.374 0.000 1.047 157 V CA 2.140 64.192 62.300 -0.414 0.000 1.035 157 V CB -1.029 30.618 31.823 -0.294 0.000 0.658 157 V HN 0.533 nan 8.190 nan 0.000 0.452 158 N N 0.594 118.964 118.700 -0.550 0.000 2.084 158 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 158 N C 1.892 177.273 175.510 -0.216 0.000 1.030 158 N CA 1.737 54.504 53.050 -0.473 0.000 0.849 158 N CB -0.612 37.328 38.487 -0.912 0.000 1.012 158 N HN 0.470 nan 8.380 nan 0.000 0.423 159 A N 0.962 123.653 122.820 -0.214 0.000 1.883 159 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 159 A C 2.348 179.863 177.584 -0.116 0.000 1.186 159 A CA 1.142 53.123 52.037 -0.094 0.000 0.624 159 A CB -0.899 18.023 19.000 -0.131 0.000 0.822 159 A HN 0.266 nan 8.150 nan 0.000 0.444 160 L N -0.916 120.207 121.223 -0.166 0.000 2.083 160 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 160 L C 2.648 179.471 176.870 -0.078 0.000 1.083 160 L CA 1.207 55.974 54.840 -0.121 0.000 0.752 160 L CB -0.645 41.356 42.059 -0.097 0.000 0.899 160 L HN 0.496 nan 8.230 nan 0.000 0.433 161 C N -0.332 118.953 119.300 -0.025 0.000 2.450 161 C HA -0.063 4.397 4.460 -0.000 0.000 0.279 161 C C 2.705 177.698 174.990 0.005 0.000 1.335 161 C CA 0.209 59.266 59.018 0.064 0.000 1.749 161 C CB -0.549 27.206 27.740 0.026 0.000 1.963 161 C HN 0.431 nan 8.230 nan 0.000 0.501 162 I N 0.663 121.221 120.570 -0.019 0.000 2.315 162 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 162 I C 2.232 178.321 176.117 -0.046 0.000 1.117 162 I CA 1.636 62.936 61.300 0.000 0.000 1.404 162 I CB -0.300 37.721 38.000 0.036 0.000 1.071 162 I HN 0.308 nan 8.210 nan 0.000 0.419 163 I N 0.382 120.896 120.570 -0.093 0.000 2.163 163 I HA -0.166 4.004 4.170 -0.000 0.000 0.240 163 I C 1.959 177.949 176.117 -0.212 0.000 1.081 163 I CA 1.401 62.619 61.300 -0.136 0.000 1.353 163 I CB -0.700 37.210 38.000 -0.150 0.000 1.054 163 I HN 0.444 nan 8.210 nan 0.000 0.407 164 G N 1.186 109.778 108.800 -0.347 0.000 2.168 164 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 164 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 164 G C 0.498 174.937 174.900 -0.768 0.000 0.977 164 G CA 0.546 45.328 45.100 -0.530 0.000 0.659 164 G HN 0.512 nan 8.290 nan 0.000 0.533 165 T N -2.514 111.654 114.554 -0.644 0.000 2.816 165 T HA 0.610 4.960 4.350 -0.000 0.000 0.282 165 T C 1.165 175.486 174.700 -0.630 0.000 0.993 165 T CA 0.536 62.346 62.100 -0.484 0.000 0.994 165 T CB 1.889 70.594 68.868 -0.273 0.000 1.025 165 T HN 0.188 nan 8.240 nan 0.000 0.529 166 E N 0.271 120.283 120.200 -0.314 0.000 2.085 166 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 166 E C 2.022 178.537 176.600 -0.141 0.000 0.994 166 E CA 1.950 58.246 56.400 -0.173 0.000 0.801 166 E CB -0.324 29.347 29.700 -0.049 0.000 0.743 166 E HN 0.865 nan 8.360 nan 0.000 0.453 167 E N -0.439 119.681 120.200 -0.134 0.000 2.058 167 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 167 E C 1.949 178.494 176.600 -0.090 0.000 0.997 167 E CA 1.303 57.653 56.400 -0.084 0.000 0.801 167 E CB -0.293 29.360 29.700 -0.078 0.000 0.746 167 E HN 0.353 nan 8.360 nan 0.000 0.450 168 A N 0.381 123.086 122.820 -0.191 0.000 1.858 168 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 168 A C 2.029 179.585 177.584 -0.047 0.000 1.190 168 A CA 1.579 53.513 52.037 -0.171 0.000 0.617 168 A CB -1.195 17.626 19.000 -0.298 0.000 0.827 168 A HN 0.514 nan 8.150 nan 0.000 0.443 169 Y N 0.161 120.409 120.300 -0.088 0.000 2.207 169 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 169 Y C 2.350 178.334 175.900 0.139 0.000 1.156 169 Y CA 0.890 58.978 58.100 -0.020 0.000 1.182 169 Y CB -0.241 37.854 38.460 -0.608 0.000 0.979 169 Y HN 0.312 nan 8.280 nan 0.000 0.521 170 N N -0.230 118.588 118.700 0.197 0.000 2.459 170 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 170 N C 1.751 177.351 175.510 0.150 0.000 1.046 170 N CA 0.601 53.756 53.050 0.174 0.000 0.904 170 N CB -0.356 38.191 38.487 0.099 0.000 0.964 170 N HN 0.157 nan 8.380 nan 0.000 0.444 171 V N 1.363 121.362 119.914 0.141 0.000 2.343 171 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 171 V C 1.082 177.279 176.094 0.170 0.000 1.051 171 V CA 0.837 63.217 62.300 0.133 0.000 1.036 171 V CB -0.276 31.626 31.823 0.132 0.000 0.654 171 V HN 0.204 nan 8.190 nan 0.000 0.451 172 I N 2.046 122.755 120.570 0.233 0.000 2.505 172 I HA 0.017 4.187 4.170 -0.000 0.000 0.287 172 I C 0.616 176.791 176.117 0.097 0.000 1.104 172 I CA 0.224 61.650 61.300 0.211 0.000 1.387 172 I CB -0.097 38.025 38.000 0.203 0.000 1.404 172 I HN 0.158 nan 8.210 nan 0.000 0.528 173 N N 7.158 125.852 118.700 -0.009 0.000 2.448 173 N HA 0.095 4.835 4.740 -0.000 0.000 0.250 173 N C 1.004 176.504 175.510 -0.017 0.000 1.136 173 N CA 0.133 53.171 53.050 -0.020 0.000 0.953 173 N CB 0.477 38.920 38.487 -0.073 0.000 1.251 173 N HN 0.476 nan 8.380 nan 0.000 0.502 174 R N 2.076 122.586 120.500 0.018 0.000 2.096 174 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 174 R C 0.951 177.258 176.300 0.011 0.000 1.127 174 R CA 1.375 57.473 56.100 -0.002 0.000 0.968 174 R CB 0.203 30.509 30.300 0.010 0.000 0.861 174 R HN 0.476 nan 8.270 nan 0.000 0.440 175 E N 0.615 120.832 120.200 0.027 0.000 2.051 175 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 175 E C 1.816 178.440 176.600 0.040 0.000 0.991 175 E CA 1.115 57.540 56.400 0.042 0.000 0.799 175 E CB 0.054 29.780 29.700 0.044 0.000 0.748 175 E HN 0.045 nan 8.360 nan 0.000 0.449 176 K N 0.216 120.625 120.400 0.015 0.000 2.103 176 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 176 K C 2.094 178.717 176.600 0.038 0.000 1.052 176 K CA 0.378 56.672 56.287 0.012 0.000 0.945 176 K CB -0.513 31.962 32.500 -0.041 0.000 0.722 176 K HN 0.121 nan 8.250 nan 0.000 0.443 177 L N 1.467 122.695 121.223 0.009 0.000 2.013 177 L HA -0.173 4.166 4.340 -0.000 0.000 0.212 177 L C 2.160 179.082 176.870 0.087 0.000 1.073 177 L CA 1.426 56.293 54.840 0.045 0.000 0.753 177 L CB -0.814 41.247 42.059 0.003 0.000 0.890 177 L HN 0.084 nan 8.230 nan 0.000 0.432 178 L N -0.559 120.697 121.223 0.056 0.000 2.017 178 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 178 L C 2.508 179.467 176.870 0.149 0.000 1.073 178 L CA 1.800 56.673 54.840 0.055 0.000 0.745 178 L CB -0.803 41.304 42.059 0.080 0.000 0.894 178 L HN 0.451 nan 8.230 nan 0.000 0.432 179 Q N -1.823 118.081 119.800 0.174 0.000 2.096 179 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 179 Q C 2.183 178.294 176.000 0.186 0.000 0.982 179 Q CA 2.176 58.093 55.803 0.191 0.000 0.850 179 Q CB -0.538 28.270 28.738 0.117 0.000 0.901 179 Q HN 0.606 nan 8.270 nan 0.000 0.422 180 Y N 1.451 121.773 120.300 0.037 0.000 2.097 180 Y HA -0.252 4.297 4.550 -0.000 0.000 0.282 180 Y C 1.859 177.781 175.900 0.037 0.000 1.152 180 Y CA 1.467 59.580 58.100 0.022 0.000 1.136 180 Y CB -0.386 38.069 38.460 -0.008 0.000 0.975 180 Y HN 0.023 nan 8.280 nan 0.000 0.498 181 L N -1.443 119.737 121.223 -0.071 0.000 2.042 181 L HA -0.310 4.030 4.340 -0.000 0.000 0.210 181 L C 2.314 179.133 176.870 -0.085 0.000 1.076 181 L CA 1.878 56.626 54.840 -0.153 0.000 0.749 181 L CB -1.028 40.913 42.059 -0.196 0.000 0.893 181 L HN 0.265 nan 8.230 nan 0.000 0.432 182 Y N 0.374 120.637 120.300 -0.062 0.000 2.224 182 Y HA -0.287 4.263 4.550 -0.000 0.000 0.289 182 Y C 3.097 178.915 175.900 -0.136 0.000 1.146 182 Y CA 1.505 59.549 58.100 -0.094 0.000 1.182 182 Y CB -0.193 38.220 38.460 -0.078 0.000 0.983 182 Y HN 0.319 nan 8.280 nan 0.000 0.524 183 S N -0.241 115.467 115.700 0.013 0.000 2.447 183 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 183 S C 1.554 176.064 174.600 -0.150 0.000 1.006 183 S CA 1.095 59.254 58.200 -0.068 0.000 0.957 183 S CB -0.643 62.524 63.200 -0.055 0.000 0.773 183 S HN 0.505 nan 8.310 nan 0.000 0.507 184 L N -0.276 120.829 121.223 -0.197 0.000 2.513 184 L HA 0.334 4.674 4.340 -0.000 0.000 0.222 184 L C 0.956 177.686 176.870 -0.233 0.000 1.096 184 L CA -0.145 54.582 54.840 -0.187 0.000 0.857 184 L CB -0.192 41.767 42.059 -0.167 0.000 1.026 184 L HN 0.118 nan 8.230 nan 0.000 0.469 185 K N 1.646 121.840 120.400 -0.344 0.000 2.412 185 K HA 0.053 4.373 4.320 -0.000 0.000 0.281 185 K C -0.204 176.107 176.600 -0.482 0.000 1.027 185 K CA 0.378 56.219 56.287 -0.744 0.000 0.989 185 K CB 0.447 32.556 32.500 -0.651 0.000 0.935 185 K HN -0.087 nan 8.250 nan 0.000 0.475 186 Q N 4.565 124.041 119.800 -0.539 0.000 2.215 186 Q HA 0.279 4.619 4.340 -0.000 0.000 0.256 186 Q C -1.798 174.028 176.000 -0.290 0.000 0.972 186 Q CA -2.262 53.331 55.803 -0.350 0.000 0.889 186 Q CB 0.856 29.386 28.738 -0.347 0.000 1.281 186 Q HN 0.434 nan 8.270 nan 0.000 0.456 187 P HA -0.153 nan 4.420 nan 0.000 0.219 187 P C 0.392 177.628 177.300 -0.107 0.000 1.146 187 P CA 1.316 64.338 63.100 -0.129 0.000 0.808 187 P CB 0.249 31.896 31.700 -0.089 0.000 0.779 188 D N -2.048 118.280 120.400 -0.119 0.000 2.349 188 D HA 0.080 4.720 4.640 -0.000 0.000 0.224 188 D C 1.434 177.707 176.300 -0.045 0.000 1.029 188 D CA 0.652 54.629 54.000 -0.039 0.000 0.879 188 D CB -0.772 40.050 40.800 0.036 0.000 0.906 188 D HN 0.238 nan 8.370 nan 0.000 0.528 189 G N -0.131 108.565 108.800 -0.173 0.000 2.232 189 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.226 189 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.226 189 G C 0.495 175.181 174.900 -0.356 0.000 0.996 189 G CA 0.302 45.314 45.100 -0.146 0.000 0.626 189 G HN 0.809 nan 8.290 nan 0.000 0.509 190 S N -0.233 115.037 115.700 -0.716 0.000 2.655 190 S HA 0.801 5.271 4.470 -0.000 0.000 0.265 190 S C -0.333 173.859 174.600 -0.680 0.000 1.240 190 S CA -0.406 57.206 58.200 -0.980 0.000 0.986 190 S CB 1.407 63.611 63.200 -1.660 0.000 0.985 190 S HN 0.536 nan 8.310 nan 0.000 0.562 191 F N -0.204 119.477 119.950 -0.448 0.000 2.551 191 F HA 0.501 5.028 4.527 -0.000 0.000 0.316 191 F C 0.042 175.682 175.800 -0.266 0.000 1.089 191 F CA -1.049 56.777 58.000 -0.290 0.000 0.915 191 F CB 1.438 40.321 39.000 -0.194 0.000 1.186 191 F HN 0.453 nan 8.300 nan 0.000 0.456 192 L N 3.710 124.881 121.223 -0.086 0.000 2.467 192 L HA 0.079 4.419 4.340 -0.000 0.000 0.270 192 L C 1.368 178.188 176.870 -0.084 0.000 1.205 192 L CA -0.483 54.282 54.840 -0.124 0.000 0.828 192 L CB 0.402 42.351 42.059 -0.184 0.000 1.101 192 L HN 0.680 nan 8.230 nan 0.000 0.479 193 M N 0.673 120.208 119.600 -0.108 0.000 2.254 193 M HA -0.011 4.469 4.480 -0.000 0.000 0.265 193 M C 0.461 176.655 176.300 -0.177 0.000 1.066 193 M CA 1.275 56.499 55.300 -0.125 0.000 1.123 193 M CB -1.040 31.508 32.600 -0.086 0.000 1.388 193 M HN 0.813 nan 8.290 nan 0.000 0.425 194 H N -4.943 114.008 119.070 -0.199 0.000 2.932 194 H HA 0.482 5.038 4.556 -0.000 0.000 0.307 194 H C -0.941 174.365 175.328 -0.037 0.000 1.391 194 H CA -1.228 54.779 56.048 -0.068 0.000 1.130 194 H CB 0.565 30.319 29.762 -0.013 0.000 1.836 194 H HN -0.253 nan 8.280 nan 0.000 0.522 195 V N 1.616 121.556 119.914 0.044 0.000 2.540 195 V HA 0.268 4.388 4.120 -0.000 0.000 0.297 195 V C 1.525 177.540 176.094 -0.131 0.000 1.024 195 V CA 1.592 63.856 62.300 -0.059 0.000 1.105 195 V CB 0.147 31.965 31.823 -0.009 0.000 0.938 195 V HN 1.373 nan 8.190 nan 0.000 0.482 196 G N 3.592 112.285 108.800 -0.179 0.000 2.179 196 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.257 196 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.257 196 G C 0.442 175.174 174.900 -0.282 0.000 1.010 196 G CA 0.204 45.210 45.100 -0.157 0.000 0.736 196 G HN 1.337 nan 8.290 nan 0.000 0.513 197 G N -0.880 107.576 108.800 -0.573 0.000 2.887 197 G HA2 0.723 4.683 3.960 -0.000 0.000 0.277 197 G HA3 0.723 4.683 3.960 -0.000 0.000 0.277 197 G C 0.093 174.830 174.900 -0.271 0.000 1.346 197 G CA 0.108 44.788 45.100 -0.700 0.000 1.058 197 G HN 0.638 nan 8.290 nan 0.000 0.535 198 E N -0.664 119.464 120.200 -0.120 0.000 2.349 198 E HA 0.378 4.728 4.350 -0.000 0.000 0.262 198 E C -0.974 175.605 176.600 -0.036 0.000 1.088 198 E CA -0.460 55.923 56.400 -0.028 0.000 0.899 198 E CB 1.659 31.394 29.700 0.059 0.000 1.044 198 E HN 0.080 nan 8.360 nan 0.000 0.420 199 V N 2.346 122.245 119.914 -0.024 0.000 2.435 199 V HA 0.363 4.483 4.120 -0.000 0.000 0.290 199 V C -0.495 175.627 176.094 0.047 0.000 1.030 199 V CA -0.211 62.065 62.300 -0.041 0.000 0.881 199 V CB 1.075 32.830 31.823 -0.112 0.000 0.983 199 V HN 0.936 nan 8.190 nan 0.000 0.445 200 D N 2.556 123.007 120.400 0.085 0.000 2.713 200 D HA 0.147 4.787 4.640 -0.000 0.000 0.306 200 D C 0.205 176.676 176.300 0.284 0.000 1.299 200 D CA -0.557 53.560 54.000 0.194 0.000 0.823 200 D CB 1.634 42.464 40.800 0.050 0.000 1.353 200 D HN 0.112 nan 8.370 nan 0.000 0.447 201 V N 0.327 120.444 119.914 0.338 0.000 2.913 201 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 201 V C 2.023 178.320 176.094 0.338 0.000 1.098 201 V CA 1.622 64.175 62.300 0.422 0.000 1.121 201 V CB -0.693 31.297 31.823 0.277 0.000 0.714 201 V HN 0.550 nan 8.190 nan 0.000 0.487 202 R N 0.727 121.438 120.500 0.353 0.000 2.117 202 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 202 R C 2.567 179.012 176.300 0.242 0.000 1.143 202 R CA 1.832 58.118 56.100 0.311 0.000 0.968 202 R CB -0.570 29.912 30.300 0.302 0.000 0.863 202 R HN 0.773 nan 8.270 nan 0.000 0.444 203 S N 0.443 116.255 115.700 0.186 0.000 2.383 203 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 203 S C 2.234 176.840 174.600 0.009 0.000 1.026 203 S CA 0.832 59.088 58.200 0.093 0.000 0.981 203 S CB -0.137 63.111 63.200 0.081 0.000 0.818 203 S HN 0.363 nan 8.310 nan 0.000 0.472 204 A N 1.057 123.943 122.820 0.110 0.000 1.877 204 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 204 A C 2.105 179.708 177.584 0.032 0.000 1.186 204 A CA 1.636 53.735 52.037 0.102 0.000 0.620 204 A CB -1.352 17.806 19.000 0.264 0.000 0.822 204 A HN 0.687 nan 8.150 nan 0.000 0.443 205 Y N 0.239 120.534 120.300 -0.010 0.000 2.145 205 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 205 Y C 2.577 178.447 175.900 -0.050 0.000 1.145 205 Y CA 1.400 59.472 58.100 -0.046 0.000 1.148 205 Y CB -0.934 37.521 38.460 -0.009 0.000 0.981 205 Y HN 0.376 nan 8.280 nan 0.000 0.507 206 C N 0.543 119.715 119.300 -0.214 0.000 2.413 206 C HA -0.171 4.289 4.460 -0.000 0.000 0.276 206 C C 3.089 177.982 174.990 -0.161 0.000 1.236 206 C CA 1.360 60.237 59.018 -0.236 0.000 1.735 206 C CB -1.810 25.918 27.740 -0.019 0.000 2.031 206 C HN 0.747 nan 8.230 nan 0.000 0.474 207 A N 0.438 123.134 122.820 -0.207 0.000 1.877 207 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 207 A C 2.379 179.957 177.584 -0.009 0.000 1.186 207 A CA 2.131 54.028 52.037 -0.233 0.000 0.620 207 A CB -1.004 17.542 19.000 -0.756 0.000 0.822 207 A HN 0.582 nan 8.150 nan 0.000 0.443 208 A N -0.805 121.948 122.820 -0.110 0.000 1.902 208 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 208 A C 2.494 180.008 177.584 -0.116 0.000 1.181 208 A CA 2.269 54.141 52.037 -0.276 0.000 0.623 208 A CB -1.000 17.709 19.000 -0.486 0.000 0.818 208 A HN 0.575 nan 8.150 nan 0.000 0.443 209 S N -0.408 115.192 115.700 -0.167 0.000 2.348 209 S HA -0.162 4.308 4.470 -0.000 0.000 0.221 209 S C 2.075 176.721 174.600 0.078 0.000 1.033 209 S CA 2.308 60.510 58.200 0.004 0.000 1.010 209 S CB -0.808 62.320 63.200 -0.120 0.000 0.891 209 S HN 1.006 nan 8.310 nan 0.000 0.442 210 V N 0.282 120.196 119.914 0.001 0.000 2.548 210 V HA 0.193 4.313 4.120 -0.000 0.000 0.249 210 V C 2.473 178.532 176.094 -0.057 0.000 1.055 210 V CA 1.550 63.823 62.300 -0.045 0.000 1.065 210 V CB -1.542 30.260 31.823 -0.035 0.000 0.681 210 V HN 0.505 nan 8.190 nan 0.000 0.462 211 A N 1.626 124.450 122.820 0.007 0.000 1.968 211 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 211 A C 2.542 180.141 177.584 0.024 0.000 1.169 211 A CA 2.133 54.187 52.037 0.028 0.000 0.638 211 A CB -0.806 18.288 19.000 0.158 0.000 0.812 211 A HN 0.872 nan 8.150 nan 0.000 0.446 212 S N 0.031 115.762 115.700 0.052 0.000 2.377 212 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 212 S C 1.895 176.491 174.600 -0.007 0.000 1.030 212 S CA 1.130 59.366 58.200 0.059 0.000 0.970 212 S CB -0.740 62.534 63.200 0.124 0.000 0.830 212 S HN 0.409 nan 8.310 nan 0.000 0.473 213 L N 2.014 123.195 121.223 -0.070 0.000 2.012 213 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 213 L C 2.888 179.611 176.870 -0.245 0.000 1.073 213 L CA 1.704 56.430 54.840 -0.190 0.000 0.748 213 L CB -1.128 40.766 42.059 -0.275 0.000 0.891 213 L HN 0.600 nan 8.230 nan 0.000 0.431 214 T N -4.142 110.171 114.554 -0.402 0.000 3.144 214 T HA 0.058 4.408 4.350 -0.000 0.000 0.249 214 T C 0.799 175.300 174.700 -0.331 0.000 1.089 214 T CA 0.115 61.733 62.100 -0.803 0.000 0.989 214 T CB -0.407 67.993 68.868 -0.780 0.000 0.992 214 T HN 0.345 nan 8.240 nan 0.000 0.540 215 N N 1.335 119.960 118.700 -0.124 0.000 2.696 215 N HA -0.177 4.563 4.740 -0.000 0.000 0.256 215 N C 0.238 175.727 175.510 -0.034 0.000 1.031 215 N CA 0.906 53.939 53.050 -0.030 0.000 0.730 215 N CB -1.837 36.664 38.487 0.022 0.000 0.894 215 N HN 0.914 nan 8.380 nan 0.000 0.544 216 I N -2.655 117.894 120.570 -0.035 0.000 3.947 216 I HA 0.367 4.537 4.170 -0.000 0.000 0.327 216 I C 0.061 176.179 176.117 0.002 0.000 1.519 216 I CA -0.641 60.647 61.300 -0.020 0.000 1.122 216 I CB 0.132 38.106 38.000 -0.043 0.000 1.146 216 I HN 0.032 nan 8.210 nan 0.000 0.442 217 I N 3.912 124.507 120.570 0.041 0.000 2.505 217 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 217 I C 0.997 177.154 176.117 0.066 0.000 1.104 217 I CA 0.204 61.554 61.300 0.083 0.000 1.387 217 I CB 0.724 38.831 38.000 0.179 0.000 1.404 217 I HN 0.364 nan 8.210 nan 0.000 0.528 218 T N 3.308 117.887 114.554 0.042 0.000 2.881 218 T HA 0.329 4.679 4.350 -0.000 0.000 0.278 218 T C -1.697 173.057 174.700 0.090 0.000 0.982 218 T CA -1.743 60.406 62.100 0.082 0.000 0.989 218 T CB 1.364 70.317 68.868 0.142 0.000 1.058 218 T HN 0.277 nan 8.240 nan 0.000 0.529 219 P HA -0.043 nan 4.420 nan 0.000 0.218 219 P C 0.904 178.259 177.300 0.093 0.000 1.148 219 P CA 1.057 64.210 63.100 0.089 0.000 0.822 219 P CB 0.025 31.769 31.700 0.074 0.000 0.784 220 D N -2.057 118.401 120.400 0.097 0.000 2.398 220 D HA -0.002 4.638 4.640 -0.000 0.000 0.210 220 D C 1.655 177.982 176.300 0.044 0.000 1.094 220 D CA -0.161 53.892 54.000 0.088 0.000 0.839 220 D CB -0.900 39.957 40.800 0.094 0.000 0.963 220 D HN -0.017 nan 8.370 nan 0.000 0.506 221 L N 0.101 121.290 121.223 -0.056 0.000 2.013 221 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 221 L C 1.146 177.776 176.870 -0.400 0.000 1.073 221 L CA 1.765 56.360 54.840 -0.408 0.000 0.753 221 L CB -0.678 40.972 42.059 -0.681 0.000 0.890 221 L HN -0.008 nan 8.230 nan 0.000 0.432 222 F N -0.474 119.518 119.950 0.070 0.000 2.684 222 F HA 0.228 4.755 4.527 -0.000 0.000 0.298 222 F C 0.772 176.616 175.800 0.073 0.000 1.120 222 F CA -0.752 57.318 58.000 0.116 0.000 1.332 222 F CB -0.122 38.943 39.000 0.108 0.000 0.986 222 F HN -0.071 nan 8.300 nan 0.000 0.524 223 E N 0.908 121.194 120.200 0.144 0.000 2.493 223 E HA 0.097 4.447 4.350 -0.000 0.000 0.255 223 E C 1.276 177.924 176.600 0.081 0.000 0.999 223 E CA 1.055 57.514 56.400 0.099 0.000 0.934 223 E CB 0.651 30.382 29.700 0.052 0.000 0.940 223 E HN 0.598 nan 8.360 nan 0.000 0.473 224 G N 3.517 112.378 108.800 0.101 0.000 2.225 224 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 224 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 224 G C 1.238 176.236 174.900 0.164 0.000 0.988 224 G CA 0.631 45.791 45.100 0.101 0.000 0.625 224 G HN 0.523 nan 8.290 nan 0.000 0.527 225 T N 0.992 115.672 114.554 0.209 0.000 2.812 225 T HA 0.228 4.578 4.350 -0.000 0.000 0.264 225 T C 2.783 177.646 174.700 0.272 0.000 1.042 225 T CA 2.257 64.534 62.100 0.295 0.000 1.140 225 T CB -0.408 68.733 68.868 0.455 0.000 0.870 225 T HN 1.163 nan 8.240 nan 0.000 0.445 226 A N 1.691 124.620 122.820 0.182 0.000 1.908 226 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 226 A C 2.208 179.858 177.584 0.112 0.000 1.181 226 A CA 1.761 53.869 52.037 0.118 0.000 0.627 226 A CB -0.550 18.492 19.000 0.071 0.000 0.818 226 A HN 0.435 nan 8.150 nan 0.000 0.445 227 E N -1.499 118.774 120.200 0.123 0.000 2.106 227 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 227 E C 1.562 178.224 176.600 0.103 0.000 0.984 227 E CA 1.187 57.640 56.400 0.089 0.000 0.806 227 E CB -0.342 29.409 29.700 0.084 0.000 0.750 227 E HN 0.833 nan 8.360 nan 0.000 0.458 228 W N 0.978 122.285 121.300 0.012 0.000 2.355 228 W HA -0.128 4.532 4.660 -0.000 0.000 0.309 228 W C 1.706 178.222 176.519 -0.005 0.000 1.206 228 W CA 1.523 58.870 57.345 0.003 0.000 1.284 228 W CB -0.208 29.261 29.460 0.014 0.000 1.145 228 W HN -0.021 nan 8.180 nan 0.000 0.502 229 I N 0.740 121.419 120.570 0.181 0.000 2.208 229 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 229 I C 2.575 178.582 176.117 -0.184 0.000 1.097 229 I CA 1.577 62.861 61.300 -0.027 0.000 1.363 229 I CB -1.104 36.959 38.000 0.105 0.000 1.051 229 I HN 0.100 nan 8.210 nan 0.000 0.413 230 A N 0.623 123.377 122.820 -0.110 0.000 1.972 230 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 230 A C 2.345 179.817 177.584 -0.187 0.000 1.169 230 A CA 1.257 53.219 52.037 -0.124 0.000 0.635 230 A CB -0.528 18.434 19.000 -0.064 0.000 0.810 230 A HN 0.332 nan 8.150 nan 0.000 0.446 231 R N -1.008 119.338 120.500 -0.256 0.000 2.237 231 R HA -0.092 4.248 4.340 -0.000 0.000 0.219 231 R C 1.673 177.750 176.300 -0.372 0.000 1.080 231 R CA 1.218 57.141 56.100 -0.295 0.000 0.995 231 R CB -0.574 29.521 30.300 -0.342 0.000 0.875 231 R HN 0.614 nan 8.270 nan 0.000 0.462 232 C N 0.427 119.442 119.300 -0.475 0.000 2.481 232 C HA 0.010 4.470 4.460 -0.000 0.000 0.275 232 C C 1.404 176.204 174.990 -0.317 0.000 1.419 232 C CA -0.332 58.418 59.018 -0.445 0.000 1.773 232 C CB -0.825 26.594 27.740 -0.536 0.000 1.862 232 C HN 0.444 nan 8.230 nan 0.000 0.530 233 Q N 2.622 122.261 119.800 -0.269 0.000 2.313 233 Q HA 0.157 4.497 4.340 -0.000 0.000 0.266 233 Q C 0.154 176.018 176.000 -0.227 0.000 0.989 233 Q CA 0.297 55.947 55.803 -0.256 0.000 0.890 233 Q CB 0.570 29.187 28.738 -0.202 0.000 1.200 233 Q HN 0.710 nan 8.270 nan 0.000 0.396 234 N N 3.430 121.959 118.700 -0.285 0.000 2.989 234 N HA 0.141 4.881 4.740 -0.000 0.000 0.338 234 N C 0.755 176.151 175.510 -0.191 0.000 1.369 234 N CA -0.586 52.337 53.050 -0.213 0.000 0.794 234 N CB -0.460 37.869 38.487 -0.263 0.000 1.359 234 N HN 0.868 nan 8.380 nan 0.000 0.609 235 W N -0.493 120.751 121.300 -0.094 0.000 2.421 235 W HA 0.007 4.667 4.660 -0.000 0.000 0.270 235 W C 0.403 176.898 176.519 -0.040 0.000 1.233 235 W CA 0.806 58.118 57.345 -0.056 0.000 1.226 235 W CB -0.773 28.666 29.460 -0.034 0.000 1.121 235 W HN 0.566 nan 8.180 nan 0.000 0.579 236 E N 0.296 119.986 120.200 -0.850 0.000 2.216 236 E HA 0.118 4.468 4.350 -0.000 0.000 0.192 236 E C 2.120 178.529 176.600 -0.319 0.000 0.988 236 E CA 0.988 56.967 56.400 -0.703 0.000 0.834 236 E CB -0.333 28.784 29.700 -0.972 0.000 0.772 236 E HN 0.427 nan 8.360 nan 0.000 0.479 237 G N 0.680 109.248 108.800 -0.387 0.000 2.284 237 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 237 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 237 G C 0.595 175.201 174.900 -0.489 0.000 1.009 237 G CA -0.234 44.713 45.100 -0.255 0.000 0.625 237 G HN 0.526 nan 8.290 nan 0.000 0.501 238 G N -0.360 107.737 108.800 -1.171 0.000 2.508 238 G HA2 0.627 4.587 3.960 -0.000 0.000 0.278 238 G HA3 0.627 4.587 3.960 -0.000 0.000 0.278 238 G C -0.225 174.159 174.900 -0.861 0.000 1.389 238 G CA -0.473 43.710 45.100 -1.528 0.000 1.050 238 G HN 0.693 nan 8.290 nan 0.000 0.522 239 I N 0.172 120.329 120.570 -0.687 0.000 2.465 239 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 239 I C 0.763 176.728 176.117 -0.253 0.000 1.014 239 I CA -0.728 60.345 61.300 -0.377 0.000 1.093 239 I CB 2.078 39.936 38.000 -0.238 0.000 1.267 239 I HN 0.588 nan 8.210 nan 0.000 0.431 240 G N 2.695 111.345 108.800 -0.250 0.000 2.522 240 G HA2 0.422 4.381 3.960 -0.000 0.000 0.304 240 G HA3 0.422 4.381 3.960 -0.000 0.000 0.304 240 G C 0.899 175.558 174.900 -0.402 0.000 1.210 240 G CA -0.165 44.814 45.100 -0.201 0.000 0.960 240 G HN 0.785 nan 8.290 nan 0.000 0.497 241 G N -1.503 106.845 108.800 -0.753 0.000 2.422 241 G HA2 0.251 4.211 3.960 -0.000 0.000 0.218 241 G HA3 0.251 4.211 3.960 -0.000 0.000 0.218 241 G C 0.638 175.247 174.900 -0.486 0.000 1.140 241 G CA 1.802 46.107 45.100 -1.326 0.000 0.775 241 G HN 1.452 nan 8.290 nan 0.000 0.545 242 V N -4.825 114.898 119.914 -0.320 0.000 3.181 242 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 242 V C -3.058 172.877 176.094 -0.265 0.000 1.214 242 V CA -3.012 59.173 62.300 -0.192 0.000 1.053 242 V CB 1.725 33.552 31.823 0.007 0.000 1.069 242 V HN -0.157 nan 8.190 nan 0.000 0.441 243 P HA 0.402 nan 4.420 nan 0.000 0.264 243 P C 0.919 178.138 177.300 -0.135 0.000 1.193 243 P CA 2.044 64.987 63.100 -0.262 0.000 0.763 243 P CB 0.752 32.300 31.700 -0.253 0.000 0.810 244 G N 1.966 110.703 108.800 -0.104 0.000 2.279 244 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.223 244 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.223 244 G C 0.209 175.104 174.900 -0.007 0.000 1.015 244 G CA -0.452 44.630 45.100 -0.030 0.000 0.621 244 G HN 0.397 nan 8.290 nan 0.000 0.506 245 M N 1.456 121.021 119.600 -0.059 0.000 2.247 245 M HA 0.398 4.878 4.480 -0.000 0.000 0.326 245 M C 0.745 177.019 176.300 -0.043 0.000 1.134 245 M CA -0.728 54.550 55.300 -0.037 0.000 1.136 245 M CB 0.841 33.397 32.600 -0.074 0.000 1.454 245 M HN 0.379 nan 8.290 nan 0.000 0.467 246 E N 1.119 121.328 120.200 0.015 0.000 2.481 246 E HA 0.194 4.544 4.350 -0.000 0.000 0.263 246 E C -0.621 175.945 176.600 -0.056 0.000 0.992 246 E CA -0.306 56.094 56.400 0.001 0.000 0.938 246 E CB 0.697 30.453 29.700 0.093 0.000 0.933 246 E HN 0.694 nan 8.360 nan 0.000 0.453 247 A N 5.014 127.706 122.820 -0.213 0.000 2.477 247 A HA 0.089 4.409 4.320 -0.000 0.000 0.246 247 A C -0.452 177.143 177.584 0.019 0.000 1.078 247 A CA 0.109 51.939 52.037 -0.346 0.000 0.770 247 A CB 0.366 18.809 19.000 -0.928 0.000 1.011 247 A HN 0.702 nan 8.150 nan 0.000 0.494 248 H N 1.430 120.491 119.070 -0.015 0.000 2.894 248 H HA 0.377 4.933 4.556 -0.000 0.000 0.367 248 H C 1.210 176.655 175.328 0.196 0.000 1.144 248 H CA 0.164 56.310 56.048 0.164 0.000 1.180 248 H CB 1.857 31.706 29.762 0.145 0.000 1.758 248 H HN 0.684 nan 8.280 nan 0.000 0.541 249 G N 2.184 110.989 108.800 0.008 0.000 2.469 249 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.220 249 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.220 249 G C 1.475 176.503 174.900 0.213 0.000 1.136 249 G CA 0.879 46.067 45.100 0.146 0.000 0.759 249 G HN 0.660 nan 8.290 nan 0.000 0.562 250 G N -0.222 108.702 108.800 0.207 0.000 2.404 250 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 250 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 250 G C 1.603 176.389 174.900 -0.189 0.000 1.174 250 G CA 0.766 45.693 45.100 -0.288 0.000 0.780 250 G HN 0.522 nan 8.290 nan 0.000 0.537 251 Y N 0.894 121.214 120.300 0.033 0.000 2.314 251 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 251 Y C 3.299 179.184 175.900 -0.025 0.000 1.129 251 Y CA 1.123 59.216 58.100 -0.011 0.000 1.201 251 Y CB -0.080 38.364 38.460 -0.026 0.000 0.999 251 Y HN 0.120 nan 8.280 nan 0.000 0.541 252 T N 0.390 115.024 114.554 0.133 0.000 2.777 252 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 252 T C 1.549 176.271 174.700 0.037 0.000 1.040 252 T CA 1.296 63.410 62.100 0.024 0.000 1.141 252 T CB -0.648 68.221 68.868 0.002 0.000 0.868 252 T HN 0.313 nan 8.240 nan 0.000 0.444 253 F N 1.572 121.521 119.950 -0.003 0.000 2.069 253 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 253 F C 2.464 178.167 175.800 -0.161 0.000 1.113 253 F CA 0.915 58.885 58.000 -0.050 0.000 1.214 253 F CB -0.779 38.277 39.000 0.094 0.000 0.978 253 F HN 0.156 nan 8.300 nan 0.000 0.474 254 C N 0.652 119.890 119.300 -0.103 0.000 2.413 254 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 254 C C 3.095 177.989 174.990 -0.160 0.000 1.248 254 C CA 1.275 60.144 59.018 -0.249 0.000 1.742 254 C CB -1.940 25.843 27.740 0.071 0.000 2.017 254 C HN 0.746 nan 8.230 nan 0.000 0.481 255 G N 0.002 108.758 108.800 -0.073 0.000 2.414 255 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 255 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 255 G C 1.497 176.327 174.900 -0.117 0.000 1.188 255 G CA 0.904 45.975 45.100 -0.048 0.000 0.783 255 G HN 0.431 nan 8.290 nan 0.000 0.537 256 L N 1.400 122.511 121.223 -0.188 0.000 2.056 256 L HA 0.210 4.550 4.340 -0.000 0.000 0.207 256 L C 3.065 179.780 176.870 -0.259 0.000 1.078 256 L CA 2.089 56.812 54.840 -0.195 0.000 0.749 256 L CB -0.811 41.140 42.059 -0.180 0.000 0.901 256 L HN 0.242 nan 8.230 nan 0.000 0.433 257 A N -0.545 121.987 122.820 -0.480 0.000 1.902 257 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 257 A C 2.444 179.936 177.584 -0.153 0.000 1.181 257 A CA 1.800 53.564 52.037 -0.455 0.000 0.623 257 A CB -1.133 17.283 19.000 -0.973 0.000 0.818 257 A HN 0.557 nan 8.150 nan 0.000 0.443 258 A N -0.292 122.496 122.820 -0.054 0.000 1.902 258 A HA -0.030 4.289 4.320 -0.000 0.000 0.217 258 A C 2.156 179.683 177.584 -0.096 0.000 1.181 258 A CA 1.461 53.488 52.037 -0.017 0.000 0.623 258 A CB -0.579 18.442 19.000 0.035 0.000 0.818 258 A HN 0.472 nan 8.150 nan 0.000 0.443 259 L N -0.589 120.586 121.223 -0.080 0.000 2.093 259 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 259 L C 2.510 179.342 176.870 -0.064 0.000 1.085 259 L CA 0.865 55.666 54.840 -0.065 0.000 0.755 259 L CB -0.503 41.526 42.059 -0.049 0.000 0.904 259 L HN 0.249 nan 8.230 nan 0.000 0.435 260 V N 0.290 120.159 119.914 -0.074 0.000 2.295 260 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 260 V C 2.329 178.400 176.094 -0.039 0.000 1.049 260 V CA 1.866 64.138 62.300 -0.047 0.000 1.024 260 V CB -0.291 31.501 31.823 -0.052 0.000 0.648 260 V HN 0.312 nan 8.190 nan 0.000 0.447 261 I N -0.350 120.175 120.570 -0.076 0.000 2.208 261 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 261 I C 2.046 178.114 176.117 -0.082 0.000 1.097 261 I CA 1.669 62.924 61.300 -0.076 0.000 1.363 261 I CB -0.250 37.670 38.000 -0.134 0.000 1.051 261 I HN 0.261 nan 8.210 nan 0.000 0.413 262 L N 0.282 121.432 121.223 -0.121 0.000 2.599 262 L HA -0.003 4.337 4.340 -0.000 0.000 0.230 262 L C 0.515 177.366 176.870 -0.031 0.000 1.141 262 L CA 0.262 55.039 54.840 -0.106 0.000 0.877 262 L CB -0.380 41.597 42.059 -0.138 0.000 1.009 262 L HN 0.221 nan 8.230 nan 0.000 0.447 263 K N 0.287 120.677 120.400 -0.017 0.000 3.096 263 K HA -0.175 4.145 4.320 -0.000 0.000 0.266 263 K C 0.064 176.668 176.600 0.007 0.000 1.043 263 K CA 0.419 56.710 56.287 0.006 0.000 0.758 263 K CB -1.003 31.510 32.500 0.021 0.000 1.260 263 K HN 0.180 nan 8.250 nan 0.000 0.481 264 K N 0.071 120.469 120.400 -0.004 0.000 2.706 264 K HA 0.057 4.377 4.320 -0.000 0.000 0.203 264 K C 0.157 176.755 176.600 -0.005 0.000 1.102 264 K CA -0.026 56.262 56.287 0.002 0.000 1.058 264 K CB 0.927 33.431 32.500 0.007 0.000 0.779 264 K HN 0.186 nan 8.250 nan 0.000 0.483 265 E N 0.783 120.978 120.200 -0.008 0.000 2.209 265 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 265 E C 1.456 178.052 176.600 -0.007 0.000 0.993 265 E CA 1.079 57.471 56.400 -0.013 0.000 0.819 265 E CB -0.103 29.593 29.700 -0.007 0.000 0.745 265 E HN 0.187 nan 8.360 nan 0.000 0.477 266 R N 0.426 120.926 120.500 0.001 0.000 2.285 266 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 266 R C 1.869 178.168 176.300 -0.002 0.000 1.068 266 R CA 0.861 56.962 56.100 0.002 0.000 1.004 266 R CB -0.126 30.178 30.300 0.007 0.000 0.873 266 R HN 0.071 nan 8.270 nan 0.000 0.467 267 S N 0.826 116.523 115.700 -0.005 0.000 2.442 267 S HA -0.030 4.440 4.470 -0.000 0.000 0.236 267 S C 0.927 175.514 174.600 -0.022 0.000 1.007 267 S CA 0.723 58.917 58.200 -0.008 0.000 0.965 267 S CB -0.029 63.169 63.200 -0.004 0.000 0.773 267 S HN 0.181 nan 8.310 nan 0.000 0.504 268 L N 1.777 122.984 121.223 -0.026 0.000 2.399 268 L HA 0.347 4.687 4.340 -0.000 0.000 0.265 268 L C 0.519 177.374 176.870 -0.026 0.000 1.089 268 L CA -0.781 54.035 54.840 -0.039 0.000 0.802 268 L CB 0.298 42.327 42.059 -0.049 0.000 1.180 268 L HN 0.015 nan 8.230 nan 0.000 0.454 269 N N 1.796 120.477 118.700 -0.031 0.000 2.421 269 N HA 0.108 4.848 4.740 -0.000 0.000 0.260 269 N C 0.565 176.071 175.510 -0.006 0.000 1.173 269 N CA 0.205 53.246 53.050 -0.014 0.000 0.960 269 N CB 0.630 39.108 38.487 -0.015 0.000 1.273 269 N HN 0.564 nan 8.380 nan 0.000 0.497 270 L N 2.821 124.048 121.223 0.007 0.000 2.217 270 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 270 L C 2.323 179.218 176.870 0.041 0.000 1.107 270 L CA 0.792 55.645 54.840 0.021 0.000 0.783 270 L CB -0.144 41.929 42.059 0.024 0.000 0.919 270 L HN 0.533 nan 8.230 nan 0.000 0.442 271 K N 0.586 121.009 120.400 0.039 0.000 2.025 271 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 271 K C 2.337 178.975 176.600 0.064 0.000 1.049 271 K CA 1.802 58.120 56.287 0.052 0.000 0.933 271 K CB -0.056 32.470 32.500 0.043 0.000 0.714 271 K HN 0.290 nan 8.250 nan 0.000 0.438 272 S N 0.846 116.576 115.700 0.050 0.000 2.402 272 S HA -0.129 4.340 4.470 -0.000 0.000 0.229 272 S C 1.975 176.629 174.600 0.090 0.000 1.021 272 S CA 0.804 59.040 58.200 0.061 0.000 0.974 272 S CB -0.384 62.834 63.200 0.029 0.000 0.800 272 S HN 0.330 nan 8.310 nan 0.000 0.484 273 L N 1.319 122.581 121.223 0.065 0.000 2.027 273 L HA 0.166 4.506 4.340 -0.000 0.000 0.206 273 L C 2.252 179.242 176.870 0.199 0.000 1.074 273 L CA 1.562 56.465 54.840 0.106 0.000 0.745 273 L CB -1.294 40.787 42.059 0.037 0.000 0.898 273 L HN 0.423 nan 8.230 nan 0.000 0.433 274 L N -0.249 121.059 121.223 0.142 0.000 2.012 274 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 274 L C 2.611 179.572 176.870 0.152 0.000 1.073 274 L CA 2.279 57.207 54.840 0.146 0.000 0.748 274 L CB -0.825 41.307 42.059 0.121 0.000 0.891 274 L HN 0.561 nan 8.230 nan 0.000 0.431 275 Q N -1.817 118.068 119.800 0.142 0.000 2.124 275 Q HA -0.278 4.062 4.340 -0.000 0.000 0.202 275 Q C 2.061 178.145 176.000 0.138 0.000 0.977 275 Q CA 2.266 58.144 55.803 0.124 0.000 0.850 275 Q CB -0.488 28.318 28.738 0.112 0.000 0.901 275 Q HN 0.679 nan 8.270 nan 0.000 0.429 276 W N -0.494 120.805 121.300 -0.003 0.000 2.378 276 W HA -0.170 4.490 4.660 -0.000 0.000 0.313 276 W C 1.999 178.514 176.519 -0.006 0.000 1.197 276 W CA 1.504 58.830 57.345 -0.031 0.000 1.304 276 W CB -0.665 28.749 29.460 -0.077 0.000 1.148 276 W HN 0.048 nan 8.180 nan 0.000 0.494 277 V N 1.385 121.354 119.914 0.092 0.000 2.343 277 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 277 V C 2.455 178.506 176.094 -0.072 0.000 1.051 277 V CA 3.371 65.583 62.300 -0.147 0.000 1.036 277 V CB -1.188 30.689 31.823 0.089 0.000 0.654 277 V HN 0.467 nan 8.190 nan 0.000 0.451 278 T N -2.901 111.679 114.554 0.044 0.000 2.833 278 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 278 T C 1.871 176.555 174.700 -0.027 0.000 1.054 278 T CA 1.758 63.913 62.100 0.091 0.000 1.135 278 T CB -0.613 68.326 68.868 0.119 0.000 0.869 278 T HN 0.456 nan 8.240 nan 0.000 0.466 279 S N 0.967 116.598 115.700 -0.114 0.000 2.515 279 S HA 0.087 4.557 4.470 -0.000 0.000 0.231 279 S C 1.918 176.363 174.600 -0.259 0.000 0.987 279 S CA 0.120 58.223 58.200 -0.162 0.000 0.936 279 S CB -0.185 62.922 63.200 -0.155 0.000 0.766 279 S HN 0.428 nan 8.310 nan 0.000 0.528 280 R N 1.142 121.444 120.500 -0.329 0.000 2.299 280 R HA 0.168 4.508 4.340 -0.000 0.000 0.197 280 R C 0.800 176.924 176.300 -0.293 0.000 0.971 280 R CA 0.053 55.955 56.100 -0.330 0.000 1.030 280 R CB -0.292 29.736 30.300 -0.453 0.000 0.932 280 R HN 0.498 nan 8.270 nan 0.000 0.477 281 Q N 1.145 120.641 119.800 -0.508 0.000 2.296 281 Q HA 0.131 4.471 4.340 -0.000 0.000 0.262 281 Q C -0.486 175.258 176.000 -0.427 0.000 0.981 281 Q CA -0.149 55.102 55.803 -0.920 0.000 0.905 281 Q CB 0.729 28.869 28.738 -0.997 0.000 1.186 281 Q HN -0.136 nan 8.270 nan 0.000 0.399 282 M N 4.368 123.754 119.600 -0.358 0.000 2.162 282 M HA 0.111 4.591 4.480 -0.000 0.000 0.356 282 M C 1.068 177.319 176.300 -0.081 0.000 1.303 282 M CA 0.378 55.579 55.300 -0.165 0.000 1.116 282 M CB 0.589 33.114 32.600 -0.124 0.000 1.632 282 M HN 0.693 nan 8.290 nan 0.000 0.469 283 R N 1.400 121.889 120.500 -0.020 0.000 2.120 283 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 283 R C 1.486 177.840 176.300 0.091 0.000 1.123 283 R CA 1.497 57.616 56.100 0.032 0.000 0.975 283 R CB -0.438 29.875 30.300 0.023 0.000 0.866 283 R HN 0.546 nan 8.270 nan 0.000 0.446 284 F N 1.945 121.880 119.950 -0.024 0.000 2.164 284 F HA 0.120 4.648 4.527 0.000 0.000 0.287 284 F C 1.750 177.743 175.800 0.322 0.000 1.086 284 F CA 1.164 59.180 58.000 0.027 0.000 1.249 284 F CB 0.135 39.130 39.000 -0.008 0.000 1.059 284 F HN -0.115 nan 8.300 nan 0.000 0.490 285 E N 0.101 120.422 120.200 0.202 0.000 2.106 285 E HA 0.075 4.425 4.350 -0.000 0.000 0.192 285 E C 1.858 178.513 176.600 0.091 0.000 0.984 285 E CA 1.289 57.761 56.400 0.119 0.000 0.806 285 E CB -0.579 29.097 29.700 -0.040 0.000 0.750 285 E HN 0.605 nan 8.360 nan 0.000 0.458 286 G N -0.269 108.522 108.800 -0.016 0.000 2.268 286 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.240 286 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.240 286 G C 0.666 175.486 174.900 -0.134 0.000 1.010 286 G CA 0.049 45.136 45.100 -0.022 0.000 0.618 286 G HN 0.632 nan 8.290 nan 0.000 0.516 287 G N -0.689 107.876 108.800 -0.392 0.000 2.525 287 G HA2 0.608 4.568 3.960 -0.000 0.000 0.287 287 G HA3 0.608 4.568 3.960 -0.000 0.000 0.287 287 G C -0.547 174.167 174.900 -0.309 0.000 1.350 287 G CA -0.738 44.143 45.100 -0.366 0.000 1.039 287 G HN 0.306 nan 8.290 nan 0.000 0.513 288 F N -0.358 119.523 119.950 -0.116 0.000 2.492 288 F HA 0.385 4.912 4.527 -0.000 0.000 0.327 288 F C 0.740 176.519 175.800 -0.035 0.000 1.079 288 F CA -0.685 57.259 58.000 -0.093 0.000 0.967 288 F CB 2.156 41.109 39.000 -0.079 0.000 1.169 288 F HN 0.527 nan 8.300 nan 0.000 0.472 289 Q N 0.868 120.677 119.800 0.015 0.000 2.212 289 Q HA 0.546 4.886 4.340 -0.000 0.000 0.238 289 Q C 0.491 176.175 176.000 -0.527 0.000 0.955 289 Q CA -0.450 55.294 55.803 -0.097 0.000 0.906 289 Q CB 1.564 30.230 28.738 -0.120 0.000 1.215 289 Q HN 0.838 nan 8.270 nan 0.000 0.478 290 G N 0.867 109.130 108.800 -0.894 0.000 2.603 290 G HA2 0.058 4.018 3.960 -0.000 0.000 0.214 290 G HA3 0.058 4.018 3.960 -0.000 0.000 0.214 290 G C 0.166 174.556 174.900 -0.851 0.000 1.140 290 G CA 0.028 44.208 45.100 -1.534 0.000 0.800 290 G HN 0.686 nan 8.290 nan 0.000 0.533 291 R N -2.157 118.088 120.500 -0.424 0.000 2.716 291 R HA 0.447 4.787 4.340 -0.000 0.000 0.271 291 R C -1.211 175.033 176.300 -0.093 0.000 1.028 291 R CA -0.927 55.093 56.100 -0.134 0.000 0.883 291 R CB 0.156 30.462 30.300 0.010 0.000 1.250 291 R HN -0.038 nan 8.270 nan 0.000 0.465 292 C N 2.191 121.485 119.300 -0.010 0.000 2.596 292 C HA 0.072 4.532 4.460 -0.000 0.000 0.414 292 C C 0.708 175.705 174.990 0.011 0.000 1.396 292 C CA 1.029 60.036 59.018 -0.017 0.000 1.698 292 C CB -1.308 26.460 27.740 0.047 0.000 2.572 292 C HN 0.975 nan 8.230 nan 0.000 0.604 293 N N 2.417 121.114 118.700 -0.006 0.000 2.782 293 N HA -0.137 4.603 4.740 -0.000 0.000 0.251 293 N C -0.288 175.234 175.510 0.019 0.000 1.101 293 N CA 1.364 54.422 53.050 0.013 0.000 0.764 293 N CB -0.660 37.850 38.487 0.037 0.000 1.122 293 N HN 0.802 nan 8.380 nan 0.000 0.561 294 K N -0.236 120.168 120.400 0.007 0.000 2.400 294 K HA 0.582 4.902 4.320 -0.000 0.000 0.249 294 K C 0.535 177.150 176.600 0.025 0.000 1.069 294 K CA -0.781 55.523 56.287 0.029 0.000 0.965 294 K CB 0.930 33.460 32.500 0.051 0.000 1.365 294 K HN -0.076 nan 8.250 nan 0.000 0.539 295 L N 1.004 122.264 121.223 0.062 0.000 2.360 295 L HA 0.321 4.661 4.340 -0.000 0.000 0.271 295 L C 0.397 177.327 176.870 0.100 0.000 1.057 295 L CA -0.967 53.914 54.840 0.068 0.000 0.803 295 L CB 1.402 43.508 42.059 0.079 0.000 1.207 295 L HN 0.253 nan 8.230 nan 0.000 0.445 296 V N 1.528 121.479 119.914 0.061 0.000 2.901 296 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 296 V C -0.491 175.707 176.094 0.174 0.000 1.084 296 V CA 0.694 63.025 62.300 0.052 0.000 1.184 296 V CB 1.168 32.909 31.823 -0.137 0.000 0.941 296 V HN 0.882 nan 8.190 nan 0.000 0.493 297 D N 3.193 123.756 120.400 0.272 0.000 2.861 297 D HA 0.347 4.987 4.640 -0.000 0.000 0.216 297 D C 0.740 177.215 176.300 0.291 0.000 1.323 297 D CA 0.187 54.343 54.000 0.260 0.000 0.917 297 D CB 1.666 42.574 40.800 0.180 0.000 1.582 297 D HN 0.588 nan 8.370 nan 0.000 0.576 298 G N 1.918 110.929 108.800 0.352 0.000 2.507 298 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.221 298 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.221 298 G C 1.750 176.790 174.900 0.233 0.000 1.119 298 G CA 1.407 46.723 45.100 0.359 0.000 0.751 298 G HN 0.764 nan 8.290 nan 0.000 0.574 299 C N -1.398 118.019 119.300 0.194 0.000 2.432 299 C HA 0.145 4.605 4.460 -0.000 0.000 0.282 299 C C 2.327 177.267 174.990 -0.084 0.000 1.388 299 C CA 0.197 59.196 59.018 -0.032 0.000 1.777 299 C CB -1.644 26.026 27.740 -0.116 0.000 1.882 299 C HN 0.479 nan 8.230 nan 0.000 0.520 300 Y N 1.951 122.376 120.300 0.208 0.000 2.616 300 Y HA -0.038 4.512 4.550 -0.000 0.000 0.296 300 Y C 2.729 178.562 175.900 -0.112 0.000 1.154 300 Y CA 0.590 58.753 58.100 0.105 0.000 1.325 300 Y CB -0.307 38.229 38.460 0.127 0.000 1.007 300 Y HN 0.313 nan 8.280 nan 0.000 0.542 301 S N 0.189 115.955 115.700 0.111 0.000 2.420 301 S HA -0.212 4.258 4.470 -0.000 0.000 0.237 301 S C 1.528 176.042 174.600 -0.143 0.000 1.023 301 S CA 1.514 59.732 58.200 0.031 0.000 0.991 301 S CB -0.363 62.928 63.200 0.152 0.000 0.792 301 S HN 0.550 nan 8.310 nan 0.000 0.488 302 F N 0.251 120.015 119.950 -0.309 0.000 2.289 302 F HA 0.197 4.723 4.527 -0.000 0.000 0.280 302 F C 1.631 177.126 175.800 -0.509 0.000 1.045 302 F CA 0.110 57.833 58.000 -0.461 0.000 1.236 302 F CB -0.722 37.931 39.000 -0.578 0.000 1.116 302 F HN 0.138 nan 8.300 nan 0.000 0.550 303 W N 1.081 122.175 121.300 -0.342 0.000 2.321 303 W HA -0.222 4.438 4.660 -0.000 0.000 0.306 303 W C 2.364 178.669 176.519 -0.357 0.000 1.217 303 W CA 1.127 58.230 57.345 -0.403 0.000 1.257 303 W CB -0.503 28.944 29.460 -0.022 0.000 1.145 303 W HN 0.112 nan 8.180 nan 0.000 0.509 304 Q N -0.277 119.388 119.800 -0.225 0.000 2.084 304 Q HA 0.050 4.390 4.340 -0.000 0.000 0.194 304 Q C 2.464 177.949 176.000 -0.859 0.000 0.969 304 Q CA 1.439 56.935 55.803 -0.511 0.000 0.829 304 Q CB -1.235 27.070 28.738 -0.722 0.000 0.904 304 Q HN 0.291 nan 8.270 nan 0.000 0.464 305 A N 1.055 123.121 122.820 -1.256 0.000 2.019 305 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 305 A C 2.211 179.344 177.584 -0.752 0.000 1.164 305 A CA 1.576 52.856 52.037 -1.261 0.000 0.644 305 A CB -0.930 17.253 19.000 -1.363 0.000 0.805 305 A HN 0.437 nan 8.150 nan 0.000 0.449 306 G N -0.294 108.077 108.800 -0.714 0.000 2.498 306 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 306 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 306 G C 1.388 176.114 174.900 -0.292 0.000 1.119 306 G CA 0.862 45.592 45.100 -0.615 0.000 0.766 306 G HN 0.469 nan 8.290 nan 0.000 0.552 307 L N -0.430 120.661 121.223 -0.221 0.000 2.201 307 L HA 0.056 4.396 4.340 -0.000 0.000 0.212 307 L C 2.695 179.507 176.870 -0.095 0.000 1.105 307 L CA 0.242 55.024 54.840 -0.097 0.000 0.775 307 L CB -0.216 41.826 42.059 -0.028 0.000 0.913 307 L HN 0.189 nan 8.230 nan 0.000 0.440 308 L N -0.439 120.698 121.223 -0.143 0.000 2.056 308 L HA -0.112 4.227 4.340 -0.000 0.000 0.207 308 L C -0.265 176.549 176.870 -0.094 0.000 1.078 308 L CA 1.324 56.169 54.840 0.009 0.000 0.749 308 L CB -1.528 40.688 42.059 0.262 0.000 0.901 308 L HN 0.180 nan 8.230 nan 0.000 0.433 309 P HA -0.148 nan 4.420 nan 0.000 0.217 309 P C 1.884 179.098 177.300 -0.144 0.000 1.150 309 P CA 1.314 64.000 63.100 -0.691 0.000 0.832 309 P CB 0.072 31.228 31.700 -0.907 0.000 0.787 310 L N -1.596 119.558 121.223 -0.115 0.000 2.056 310 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 310 L C 2.472 179.365 176.870 0.038 0.000 1.078 310 L CA 1.307 56.125 54.840 -0.037 0.000 0.749 310 L CB -0.997 41.010 42.059 -0.085 0.000 0.901 310 L HN -0.046 nan 8.230 nan 0.000 0.433 311 L N -1.061 120.200 121.223 0.062 0.000 2.093 311 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 311 L C 2.628 179.604 176.870 0.177 0.000 1.085 311 L CA 1.164 56.068 54.840 0.107 0.000 0.755 311 L CB -0.561 41.570 42.059 0.120 0.000 0.904 311 L HN 0.302 nan 8.230 nan 0.000 0.435 312 H N 0.099 119.273 119.070 0.173 0.000 2.319 312 H HA -0.223 4.333 4.556 -0.000 0.000 0.299 312 H C 2.503 177.960 175.328 0.215 0.000 1.092 312 H CA 2.116 58.323 56.048 0.264 0.000 1.302 312 H CB 0.124 30.168 29.762 0.470 0.000 1.373 312 H HN 0.088 nan 8.280 nan 0.000 0.497 313 R N 0.214 120.908 120.500 0.323 0.000 2.073 313 R HA -0.130 4.209 4.340 -0.000 0.000 0.234 313 R C 2.394 178.798 176.300 0.172 0.000 1.134 313 R CA 1.338 57.577 56.100 0.232 0.000 0.952 313 R CB -0.496 29.896 30.300 0.152 0.000 0.850 313 R HN 0.399 nan 8.270 nan 0.000 0.433 314 A N 1.281 124.172 122.820 0.118 0.000 1.883 314 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 314 A C 2.261 179.888 177.584 0.071 0.000 1.186 314 A CA 1.458 53.542 52.037 0.079 0.000 0.624 314 A CB -0.635 18.396 19.000 0.051 0.000 0.822 314 A HN 0.382 nan 8.150 nan 0.000 0.444 315 L N -1.555 119.709 121.223 0.067 0.000 2.093 315 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 315 L C 2.703 179.593 176.870 0.032 0.000 1.085 315 L CA 1.478 56.340 54.840 0.037 0.000 0.755 315 L CB -0.644 41.430 42.059 0.025 0.000 0.904 315 L HN 0.622 nan 8.230 nan 0.000 0.435 316 H N 0.408 119.443 119.070 -0.057 0.000 2.353 316 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 316 H C 2.052 177.385 175.328 0.007 0.000 1.090 316 H CA 1.463 57.487 56.048 -0.040 0.000 1.327 316 H CB 0.393 30.143 29.762 -0.020 0.000 1.383 316 H HN 0.334 nan 8.280 nan 0.000 0.508 317 A N 0.599 123.455 122.820 0.060 0.000 2.121 317 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 317 A C 2.108 179.671 177.584 -0.034 0.000 1.154 317 A CA 1.019 53.063 52.037 0.012 0.000 0.679 317 A CB -0.264 18.777 19.000 0.067 0.000 0.795 317 A HN 0.573 nan 8.150 nan 0.000 0.458 318 Q N -1.479 118.301 119.800 -0.034 0.000 2.320 318 Q HA 0.257 4.597 4.340 -0.000 0.000 0.201 318 Q C 0.909 176.874 176.000 -0.058 0.000 0.910 318 Q CA 0.252 56.036 55.803 -0.031 0.000 0.946 318 Q CB 0.208 28.941 28.738 -0.009 0.000 1.062 318 Q HN 0.816 nan 8.270 nan 0.000 0.503 319 G N 2.149 110.878 108.800 -0.119 0.000 2.176 319 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.252 319 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.252 319 G C -0.306 174.545 174.900 -0.082 0.000 1.024 319 G CA 0.213 45.234 45.100 -0.132 0.000 0.755 319 G HN 0.378 nan 8.290 nan 0.000 0.507 320 D N 0.645 121.007 120.400 -0.063 0.000 2.412 320 D HA 0.211 4.851 4.640 -0.000 0.000 0.257 320 D C 0.086 176.380 176.300 -0.010 0.000 1.217 320 D CA -0.825 53.161 54.000 -0.023 0.000 0.897 320 D CB 1.154 41.949 40.800 -0.009 0.000 1.132 320 D HN 0.267 nan 8.370 nan 0.000 0.493 321 P HA 0.084 nan 4.420 nan 0.000 0.239 321 P C 0.513 177.829 177.300 0.027 0.000 1.188 321 P CA 0.129 63.237 63.100 0.014 0.000 0.794 321 P CB 0.449 32.153 31.700 0.007 0.000 0.937 322 A N -0.191 122.645 122.820 0.026 0.000 2.275 322 A HA 0.218 4.538 4.320 -0.000 0.000 0.212 322 A C 1.030 178.640 177.584 0.044 0.000 1.201 322 A CA -0.232 51.823 52.037 0.030 0.000 0.843 322 A CB -0.795 18.221 19.000 0.026 0.000 0.873 322 A HN 0.124 nan 8.150 nan 0.000 0.492 323 L N 1.103 122.357 121.223 0.052 0.000 2.455 323 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 323 L C 1.150 178.094 176.870 0.123 0.000 1.174 323 L CA -0.271 54.615 54.840 0.077 0.000 0.869 323 L CB 0.972 43.025 42.059 -0.010 0.000 1.130 323 L HN 0.321 nan 8.230 nan 0.000 0.474 324 S N 3.136 118.918 115.700 0.136 0.000 2.566 324 S HA 0.037 4.507 4.470 -0.000 0.000 0.280 324 S C 0.793 175.427 174.600 0.056 0.000 1.343 324 S CA -0.206 58.016 58.200 0.037 0.000 1.036 324 S CB 0.481 63.651 63.200 -0.050 0.000 0.866 324 S HN 0.587 nan 8.310 nan 0.000 0.526 325 M N 3.222 122.751 119.600 -0.118 0.000 2.405 325 M HA 0.164 4.644 4.480 -0.000 0.000 0.292 325 M C 0.978 176.942 176.300 -0.559 0.000 1.111 325 M CA 0.191 55.428 55.300 -0.104 0.000 0.979 325 M CB -0.311 32.292 32.600 0.006 0.000 1.426 325 M HN 0.849 nan 8.290 nan 0.000 0.509 326 S N -2.343 112.696 115.700 -1.102 0.000 2.684 326 S HA 0.236 4.706 4.470 -0.000 0.000 0.268 326 S C 0.150 173.601 174.600 -1.915 0.000 1.075 326 S CA -0.334 57.031 58.200 -1.392 0.000 1.184 326 S CB 0.687 63.344 63.200 -0.906 0.000 1.129 326 S HN 0.462 nan 8.310 nan 0.000 0.630 327 H N -0.886 117.289 119.070 -1.491 0.000 2.961 327 H HA 0.559 5.115 4.556 -0.000 0.000 0.371 327 H C -1.331 173.696 175.328 -0.502 0.000 1.190 327 H CA -0.817 54.715 56.048 -0.860 0.000 1.138 327 H CB 0.781 30.266 29.762 -0.462 0.000 1.816 327 H HN 0.297 nan 8.280 nan 0.000 0.551 328 W N 2.061 123.414 121.300 0.088 0.000 2.093 328 W HA 0.195 4.855 4.660 -0.000 0.000 0.352 328 W C 0.579 177.139 176.519 0.069 0.000 1.294 328 W CA -0.639 56.799 57.345 0.154 0.000 1.290 328 W CB 0.497 30.035 29.460 0.129 0.000 1.149 328 W HN 0.370 nan 8.180 nan 0.000 0.606 329 M N 3.393 123.296 119.600 0.506 0.000 3.607 329 M HA 0.169 4.649 4.480 -0.000 0.000 0.206 329 M C -1.072 175.474 176.300 0.410 0.000 1.314 329 M CA 0.199 55.702 55.300 0.338 0.000 1.526 329 M CB -0.962 31.819 32.600 0.303 0.000 1.101 329 M HN 0.321 nan 8.290 nan 0.000 0.539 330 F N -3.770 116.336 119.950 0.260 0.000 2.685 330 F HA 0.448 4.975 4.527 -0.000 0.000 0.315 330 F C -0.478 175.420 175.800 0.163 0.000 1.126 330 F CA -1.348 56.791 58.000 0.232 0.000 0.950 330 F CB 0.825 40.057 39.000 0.386 0.000 1.360 330 F HN -0.075 nan 8.300 nan 0.000 0.469 331 H N 2.618 121.776 119.070 0.147 0.000 3.205 331 H HA 0.179 4.735 4.556 0.000 0.000 0.262 331 H C 0.562 175.870 175.328 -0.034 0.000 1.333 331 H CA 0.785 56.782 56.048 -0.084 0.000 1.499 331 H CB 0.976 30.632 29.762 -0.176 0.000 1.609 331 H HN 0.850 nan 8.280 nan 0.000 0.498 332 Q N 2.546 122.201 119.800 -0.242 0.000 2.084 332 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 332 Q C 2.171 178.245 176.000 0.122 0.000 0.978 332 Q CA 1.441 57.188 55.803 -0.094 0.000 0.844 332 Q CB 0.202 28.835 28.738 -0.175 0.000 0.898 332 Q HN 0.708 nan 8.270 nan 0.000 0.426 333 Q N 0.191 120.034 119.800 0.073 0.000 2.050 333 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 333 Q C 2.027 178.108 176.000 0.135 0.000 0.980 333 Q CA 1.446 57.310 55.803 0.102 0.000 0.840 333 Q CB -0.176 28.598 28.738 0.059 0.000 0.898 333 Q HN 0.382 nan 8.270 nan 0.000 0.424 334 A N 0.792 123.702 122.820 0.151 0.000 1.933 334 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 334 A C 1.992 179.665 177.584 0.148 0.000 1.175 334 A CA 1.326 53.336 52.037 -0.044 0.000 0.628 334 A CB -0.720 18.033 19.000 -0.412 0.000 0.814 334 A HN 0.493 nan 8.150 nan 0.000 0.444 335 L N -0.057 121.323 121.223 0.263 0.000 2.017 335 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 335 L C 2.503 179.561 176.870 0.313 0.000 1.073 335 L CA 2.318 57.371 54.840 0.355 0.000 0.745 335 L CB -0.737 41.644 42.059 0.537 0.000 0.894 335 L HN 0.511 nan 8.230 nan 0.000 0.432 336 Q N -0.657 119.290 119.800 0.244 0.000 2.124 336 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 336 Q C 2.086 178.168 176.000 0.138 0.000 0.977 336 Q CA 1.970 57.873 55.803 0.167 0.000 0.850 336 Q CB -0.217 28.588 28.738 0.112 0.000 0.901 336 Q HN 0.649 nan 8.270 nan 0.000 0.429 337 E N 0.010 120.290 120.200 0.134 0.000 2.051 337 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 337 E C 1.770 178.492 176.600 0.203 0.000 0.991 337 E CA 1.134 57.602 56.400 0.113 0.000 0.799 337 E CB -0.222 29.497 29.700 0.032 0.000 0.748 337 E HN 0.327 nan 8.360 nan 0.000 0.449 338 Y N 1.463 121.860 120.300 0.162 0.000 2.114 338 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 338 Y C 1.952 177.936 175.900 0.141 0.000 1.165 338 Y CA 1.608 59.821 58.100 0.189 0.000 1.148 338 Y CB -0.252 38.308 38.460 0.168 0.000 0.972 338 Y HN -0.033 nan 8.280 nan 0.000 0.504 339 I N -0.566 120.021 120.570 0.027 0.000 2.202 339 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 339 I C 2.355 178.427 176.117 -0.075 0.000 1.091 339 I CA 1.334 62.589 61.300 -0.075 0.000 1.368 339 I CB -0.438 37.606 38.000 0.073 0.000 1.058 339 I HN 0.234 nan 8.210 nan 0.000 0.410 340 L N -0.418 120.811 121.223 0.009 0.000 2.056 340 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 340 L C 2.520 179.409 176.870 0.032 0.000 1.078 340 L CA 1.454 56.312 54.840 0.030 0.000 0.749 340 L CB -0.304 41.784 42.059 0.048 0.000 0.901 340 L HN 0.279 nan 8.230 nan 0.000 0.433 341 M N -2.230 117.397 119.600 0.046 0.000 2.394 341 M HA -0.079 4.401 4.480 -0.000 0.000 0.266 341 M C 1.838 178.131 176.300 -0.010 0.000 1.098 341 M CA 0.833 56.190 55.300 0.096 0.000 1.149 341 M CB 0.159 32.908 32.600 0.247 0.000 1.369 341 M HN 0.346 nan 8.290 nan 0.000 0.450 342 C N -1.888 117.313 119.300 -0.165 0.000 3.097 342 C HA 0.150 4.610 4.460 -0.000 0.000 0.335 342 C C 1.959 176.770 174.990 -0.298 0.000 1.283 342 C CA -0.375 58.478 59.018 -0.275 0.000 1.778 342 C CB -0.132 27.327 27.740 -0.468 0.000 2.365 342 C HN 0.560 nan 8.230 nan 0.000 0.627 343 C N 0.924 120.039 119.300 -0.308 0.000 2.974 343 C HA 0.202 4.662 4.460 -0.000 0.000 0.282 343 C C 0.633 175.551 174.990 -0.120 0.000 1.292 343 C CA -0.107 58.772 59.018 -0.232 0.000 1.710 343 C CB -1.616 25.976 27.740 -0.247 0.000 2.036 343 C HN 0.600 nan 8.230 nan 0.000 0.629 344 Q N 0.302 120.059 119.800 -0.070 0.000 2.271 344 Q HA 0.317 4.657 4.340 -0.000 0.000 0.258 344 Q C -0.469 175.523 176.000 -0.012 0.000 0.936 344 Q CA -0.068 55.743 55.803 0.013 0.000 0.909 344 Q CB 1.811 30.602 28.738 0.087 0.000 1.253 344 Q HN 0.452 nan 8.270 nan 0.000 0.440 345 C N 5.105 124.399 119.300 -0.010 0.000 2.435 345 C HA 0.318 4.778 4.460 -0.000 0.000 0.375 345 C C -0.972 173.986 174.990 -0.053 0.000 1.281 345 C CA -1.910 57.069 59.018 -0.065 0.000 1.963 345 C CB 0.084 27.741 27.740 -0.139 0.000 2.490 345 C HN 0.739 nan 8.230 nan 0.000 0.557 346 P HA -0.069 nan 4.420 nan 0.000 0.220 346 P C 1.079 178.328 177.300 -0.085 0.000 1.148 346 P CA 1.887 64.946 63.100 -0.068 0.000 0.803 346 P CB -0.016 31.650 31.700 -0.056 0.000 0.782 347 A N -0.612 122.154 122.820 -0.089 0.000 2.206 347 A HA 0.442 4.762 4.320 -0.000 0.000 0.211 347 A C 1.078 178.607 177.584 -0.091 0.000 1.158 347 A CA 0.809 52.795 52.037 -0.084 0.000 0.761 347 A CB -0.958 17.999 19.000 -0.073 0.000 0.801 347 A HN 0.392 nan 8.150 nan 0.000 0.473 348 G N -2.802 105.925 108.800 -0.122 0.000 2.640 348 G HA2 0.543 4.503 3.960 -0.000 0.000 0.686 348 G HA3 0.543 4.503 3.960 -0.000 0.000 0.686 348 G C 0.346 175.098 174.900 -0.247 0.000 1.229 348 G CA -0.224 44.841 45.100 -0.058 0.000 0.796 348 G HN 2.408 nan 8.290 nan 0.000 0.654 349 G N -1.017 107.857 108.800 0.123 0.000 2.690 349 G HA2 0.374 4.334 3.960 -0.000 0.000 0.686 349 G HA3 0.374 4.334 3.960 -0.000 0.000 0.686 349 G C -0.629 174.181 174.900 -0.150 0.000 1.277 349 G CA 0.087 45.026 45.100 -0.269 0.000 0.799 349 G HN 1.658 nan 8.290 nan 0.000 0.613 350 L N 0.114 121.244 121.223 -0.155 0.000 2.271 350 L HA 0.986 5.326 4.340 -0.000 0.000 0.265 350 L C 0.453 177.283 176.870 -0.066 0.000 1.013 350 L CA -0.967 53.801 54.840 -0.120 0.000 0.820 350 L CB 1.810 43.779 42.059 -0.150 0.000 1.352 350 L HN 1.083 nan 8.230 nan 0.000 0.443 351 L N -3.273 117.899 121.223 -0.086 0.000 2.510 351 L HA 0.690 5.030 4.340 -0.000 0.000 0.252 351 L C 0.270 176.976 176.870 -0.274 0.000 1.091 351 L CA -0.674 54.059 54.840 -0.178 0.000 0.888 351 L CB 0.625 42.578 42.059 -0.178 0.000 1.507 351 L HN 0.444 nan 8.230 nan 0.000 0.407 352 D N 0.035 120.094 120.400 -0.569 0.000 2.077 352 D HA -0.038 4.602 4.640 -0.000 0.000 0.196 352 D C 0.028 176.294 176.300 -0.056 0.000 0.986 352 D CA 2.194 55.935 54.000 -0.431 0.000 0.829 352 D CB 0.366 40.845 40.800 -0.535 0.000 0.983 352 D HN 0.725 nan 8.370 nan 0.000 0.453 353 K N -1.921 118.441 120.400 -0.062 0.000 2.578 353 K HA 0.523 4.843 4.320 -0.000 0.000 0.287 353 K C -3.040 173.539 176.600 -0.034 0.000 1.010 353 K CA -1.726 54.582 56.287 0.036 0.000 0.889 353 K CB 1.272 33.845 32.500 0.122 0.000 1.514 353 K HN -0.304 nan 8.250 nan 0.000 0.424 354 P HA 0.048 nan 4.420 nan 0.000 0.265 354 P C 0.464 177.741 177.300 -0.038 0.000 1.193 354 P CA 1.604 64.674 63.100 -0.050 0.000 0.765 354 P CB 0.624 32.296 31.700 -0.048 0.000 0.823 355 G N 1.344 110.114 108.800 -0.049 0.000 2.213 355 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.226 355 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.226 355 G C 0.200 175.071 174.900 -0.048 0.000 0.992 355 G CA -0.266 44.809 45.100 -0.041 0.000 0.632 355 G HN 0.466 nan 8.290 nan 0.000 0.511 356 K N 1.231 121.592 120.400 -0.065 0.000 2.106 356 K HA 0.680 5.000 4.320 -0.000 0.000 0.246 356 K C 0.746 177.292 176.600 -0.090 0.000 0.987 356 K CA 0.195 56.434 56.287 -0.080 0.000 0.904 356 K CB 1.402 33.833 32.500 -0.115 0.000 1.071 356 K HN 0.563 nan 8.250 nan 0.000 0.453 357 S N 0.321 115.970 115.700 -0.084 0.000 2.646 357 S HA 0.394 4.864 4.470 -0.000 0.000 0.276 357 S C 0.183 174.728 174.600 -0.092 0.000 1.222 357 S CA -0.964 57.188 58.200 -0.080 0.000 1.014 357 S CB 1.035 64.200 63.200 -0.058 0.000 0.991 357 S HN 0.554 nan 8.310 nan 0.000 0.533 358 R N 0.396 120.830 120.500 -0.110 0.000 2.694 358 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 358 R C -0.963 175.316 176.300 -0.035 0.000 1.061 358 R CA -0.286 55.734 56.100 -0.134 0.000 1.133 358 R CB -0.364 29.746 30.300 -0.316 0.000 1.020 358 R HN 0.860 nan 8.270 nan 0.000 0.475 359 D N 0.140 120.562 120.400 0.038 0.000 2.653 359 D HA 0.113 4.753 4.640 -0.000 0.000 0.258 359 D C -0.463 175.895 176.300 0.097 0.000 1.252 359 D CA -0.829 53.246 54.000 0.126 0.000 0.777 359 D CB 0.130 41.046 40.800 0.195 0.000 1.339 359 D HN 0.380 nan 8.370 nan 0.000 0.422 360 F N -0.747 119.418 119.950 0.360 0.000 2.259 360 F HA -0.002 4.526 4.527 0.000 0.000 0.298 360 F C 1.963 177.705 175.800 -0.097 0.000 1.088 360 F CA 0.474 58.580 58.000 0.177 0.000 1.358 360 F CB -0.305 38.806 39.000 0.185 0.000 1.040 360 F HN 0.485 nan 8.300 nan 0.000 0.505 361 Y N 0.562 120.636 120.300 -0.377 0.000 2.114 361 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 361 Y C 2.432 177.988 175.900 -0.573 0.000 1.143 361 Y CA 2.102 59.533 58.100 -1.115 0.000 1.135 361 Y CB -0.809 36.935 38.460 -1.192 0.000 0.980 361 Y HN 0.046 nan 8.280 nan 0.000 0.499 362 H N -1.069 117.948 119.070 -0.089 0.000 2.457 362 H HA -0.088 4.468 4.556 -0.000 0.000 0.294 362 H C 2.156 177.375 175.328 -0.182 0.000 1.064 362 H CA 1.811 57.786 56.048 -0.121 0.000 1.330 362 H CB -0.278 29.490 29.762 0.010 0.000 1.395 362 H HN 0.319 nan 8.280 nan 0.000 0.541 363 T N -0.499 114.025 114.554 -0.050 0.000 2.746 363 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 363 T C 2.358 176.934 174.700 -0.207 0.000 1.039 363 T CA 1.319 63.370 62.100 -0.081 0.000 1.142 363 T CB -0.702 68.220 68.868 0.091 0.000 0.866 363 T HN 0.569 nan 8.240 nan 0.000 0.444 364 C N 0.578 119.674 119.300 -0.340 0.000 2.436 364 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 364 C C 2.364 176.960 174.990 -0.657 0.000 1.241 364 C CA 0.541 59.236 59.018 -0.539 0.000 1.721 364 C CB -1.411 25.886 27.740 -0.738 0.000 2.043 364 C HN 0.655 nan 8.230 nan 0.000 0.472 365 Y N -0.159 119.844 120.300 -0.496 0.000 2.365 365 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 365 Y C 2.859 178.596 175.900 -0.271 0.000 1.119 365 Y CA 1.255 59.045 58.100 -0.516 0.000 1.203 365 Y CB -0.602 37.366 38.460 -0.820 0.000 1.026 365 Y HN 0.383 nan 8.280 nan 0.000 0.549 366 C N 0.078 119.328 119.300 -0.085 0.000 2.429 366 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 366 C C 2.664 177.630 174.990 -0.039 0.000 1.262 366 C CA 0.962 59.970 59.018 -0.018 0.000 1.733 366 C CB -1.220 26.507 27.740 -0.021 0.000 2.010 366 C HN 0.525 nan 8.230 nan 0.000 0.483 367 L N 0.413 121.568 121.223 -0.113 0.000 2.109 367 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 367 L C 2.660 179.494 176.870 -0.061 0.000 1.086 367 L CA 1.261 56.039 54.840 -0.102 0.000 0.760 367 L CB -0.678 41.282 42.059 -0.165 0.000 0.910 367 L HN 0.299 nan 8.230 nan 0.000 0.437 368 S N 0.258 115.900 115.700 -0.097 0.000 2.359 368 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 368 S C 2.028 176.728 174.600 0.166 0.000 1.035 368 S CA 1.438 59.648 58.200 0.016 0.000 1.018 368 S CB -0.720 62.396 63.200 -0.140 0.000 0.876 368 S HN 0.614 nan 8.310 nan 0.000 0.448 369 G N 1.423 110.313 108.800 0.150 0.000 2.422 369 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 369 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 369 G C 1.381 176.379 174.900 0.163 0.000 1.146 369 G CA 0.782 45.969 45.100 0.145 0.000 0.769 369 G HN 0.402 nan 8.290 nan 0.000 0.547 370 L N 1.074 122.373 121.223 0.127 0.000 2.046 370 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 370 L C 2.886 179.835 176.870 0.131 0.000 1.077 370 L CA 2.440 57.355 54.840 0.125 0.000 0.747 370 L CB -0.827 41.275 42.059 0.070 0.000 0.896 370 L HN 0.227 nan 8.230 nan 0.000 0.432 371 S N -0.720 115.063 115.700 0.138 0.000 2.356 371 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 371 S C 2.058 176.829 174.600 0.285 0.000 1.032 371 S CA 1.401 59.722 58.200 0.201 0.000 1.005 371 S CB -0.321 63.012 63.200 0.222 0.000 0.867 371 S HN 0.421 nan 8.310 nan 0.000 0.449 372 I N 2.140 122.883 120.570 0.288 0.000 2.163 372 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 372 I C 2.796 179.210 176.117 0.495 0.000 1.085 372 I CA 1.579 63.080 61.300 0.335 0.000 1.347 372 I CB -1.868 36.232 38.000 0.168 0.000 1.044 372 I HN 0.392 nan 8.210 nan 0.000 0.408 373 A N -0.159 122.928 122.820 0.445 0.000 2.067 373 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 373 A C 2.221 179.942 177.584 0.228 0.000 1.158 373 A CA 1.155 53.479 52.037 0.480 0.000 0.661 373 A CB -0.434 18.834 19.000 0.446 0.000 0.801 373 A HN 0.541 nan 8.150 nan 0.000 0.452 374 Q N -1.095 118.752 119.800 0.079 0.000 2.250 374 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 374 Q C -0.223 175.605 176.000 -0.287 0.000 0.941 374 Q CA 0.545 56.224 55.803 -0.206 0.000 0.872 374 Q CB 0.192 28.659 28.738 -0.453 0.000 0.965 374 Q HN 0.699 nan 8.270 nan 0.000 0.480 375 H N -0.626 118.563 119.070 0.198 0.000 2.638 375 H HA 0.194 4.750 4.556 -0.000 0.000 0.317 375 H C -1.515 173.957 175.328 0.240 0.000 1.006 375 H CA -0.641 55.501 56.048 0.157 0.000 1.222 375 H CB 0.428 30.282 29.762 0.153 0.000 1.419 375 H HN 0.044 nan 8.280 nan 0.000 0.489 376 F N 2.303 122.171 119.950 -0.137 0.000 2.420 376 F HA 0.579 5.106 4.527 -0.000 0.000 0.342 376 F C -0.037 175.558 175.800 -0.340 0.000 1.113 376 F CA -0.339 57.274 58.000 -0.644 0.000 1.059 376 F CB 1.518 39.918 39.000 -1.000 0.000 1.128 376 F HN 0.546 nan 8.300 nan 0.000 0.475 377 G N 2.890 110.974 108.800 -1.193 0.000 2.711 377 G HA2 0.425 4.385 3.960 -0.000 0.000 0.288 377 G HA3 0.425 4.385 3.960 -0.000 0.000 0.288 377 G C -1.789 172.604 174.900 -0.846 0.000 1.451 377 G CA -0.672 43.993 45.100 -0.725 0.000 1.186 377 G HN 0.681 nan 8.290 nan 0.000 0.560 378 S N 1.725 117.026 115.700 -0.665 0.000 2.259 378 S HA 0.590 5.060 4.470 -0.000 0.000 0.181 378 S C 1.116 175.609 174.600 -0.179 0.000 1.589 378 S CA 0.886 58.857 58.200 -0.381 0.000 1.234 378 S CB -0.364 62.678 63.200 -0.264 0.000 1.119 378 S HN 2.345 nan 8.310 nan 0.000 0.458 379 G N 3.602 112.330 108.800 -0.119 0.000 2.595 379 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.297 379 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.297 379 G C 1.153 176.038 174.900 -0.025 0.000 1.181 379 G CA 0.224 45.299 45.100 -0.041 0.000 0.963 379 G HN 1.446 nan 8.290 nan 0.000 0.541 380 A N 0.102 122.923 122.820 0.001 0.000 2.021 380 A HA 0.494 4.814 4.320 -0.000 0.000 0.216 380 A C 1.554 179.147 177.584 0.014 0.000 1.163 380 A CA 1.700 53.744 52.037 0.013 0.000 0.676 380 A CB -0.244 18.773 19.000 0.028 0.000 0.818 380 A HN 0.646 nan 8.150 nan 0.000 0.453 381 M N 0.723 120.336 119.600 0.022 0.000 2.200 381 M HA 0.462 4.942 4.480 -0.000 0.000 0.355 381 M C -0.996 175.341 176.300 0.061 0.000 1.283 381 M CA 0.616 55.954 55.300 0.064 0.000 1.124 381 M CB 0.150 32.831 32.600 0.136 0.000 1.625 381 M HN 0.115 nan 8.290 nan 0.000 0.463 382 L N 2.972 124.248 121.223 0.089 0.000 2.436 382 L HA 0.496 4.836 4.340 -0.000 0.000 0.268 382 L C -1.091 175.876 176.870 0.163 0.000 0.974 382 L CA -0.585 54.312 54.840 0.096 0.000 0.826 382 L CB 2.282 44.363 42.059 0.036 0.000 1.291 382 L HN 0.733 nan 8.230 nan 0.000 0.406 383 H N 1.221 120.319 119.070 0.047 0.000 2.966 383 H HA 0.448 5.004 4.556 -0.000 0.000 0.347 383 H C -1.733 173.550 175.328 -0.076 0.000 1.048 383 H CA -0.497 55.503 56.048 -0.081 0.000 1.295 383 H CB 1.652 31.246 29.762 -0.281 0.000 1.744 383 H HN 0.443 nan 8.280 nan 0.000 0.513 384 D N 3.221 123.294 120.400 -0.544 0.000 2.181 384 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 384 D C -0.549 175.380 176.300 -0.618 0.000 1.020 384 D CA -0.401 53.348 54.000 -0.418 0.000 0.891 384 D CB 2.318 43.014 40.800 -0.173 0.000 1.187 384 D HN 0.236 nan 8.370 nan 0.000 0.443 385 V N 1.887 121.584 119.914 -0.363 0.000 2.419 385 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 385 V C -0.438 175.563 176.094 -0.155 0.000 1.017 385 V CA -0.756 61.407 62.300 -0.227 0.000 0.844 385 V CB 1.833 33.586 31.823 -0.116 0.000 1.011 385 V HN 0.272 nan 8.190 nan 0.000 0.429 386 V N 5.786 125.625 119.914 -0.125 0.000 2.304 386 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 386 V C 0.233 176.294 176.094 -0.056 0.000 1.018 386 V CA -0.510 61.735 62.300 -0.091 0.000 0.814 386 V CB 1.433 33.205 31.823 -0.086 0.000 1.021 386 V HN 0.716 nan 8.190 nan 0.000 0.440 387 M N 3.123 122.702 119.600 -0.035 0.000 2.243 387 M HA 0.490 4.970 4.480 -0.000 0.000 0.341 387 M C 1.106 177.391 176.300 -0.026 0.000 1.130 387 M CA 1.086 56.370 55.300 -0.026 0.000 1.162 387 M CB 0.394 32.990 32.600 -0.007 0.000 1.497 387 M HN 0.943 nan 8.290 nan 0.000 0.456 388 G N 1.289 110.068 108.800 -0.035 0.000 2.553 388 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.242 388 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.242 388 G C -0.284 174.598 174.900 -0.030 0.000 1.277 388 G CA -0.268 44.811 45.100 -0.035 0.000 0.910 388 G HN 1.183 nan 8.290 nan 0.000 0.576 389 V N -0.932 118.969 119.914 -0.022 0.000 2.843 389 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 389 V C -0.144 175.940 176.094 -0.017 0.000 1.065 389 V CA 0.085 62.373 62.300 -0.019 0.000 1.116 389 V CB 1.042 32.857 31.823 -0.013 0.000 0.968 389 V HN 0.756 nan 8.190 nan 0.000 0.487 390 P HA -0.080 nan 4.420 nan 0.000 0.220 390 P C 1.021 178.316 177.300 -0.008 0.000 1.148 390 P CA 1.165 64.255 63.100 -0.017 0.000 0.803 390 P CB 0.245 31.935 31.700 -0.016 0.000 0.782 391 E N -0.286 119.910 120.200 -0.006 0.000 2.472 391 E HA -0.102 4.248 4.350 -0.000 0.000 0.200 391 E C 1.601 178.206 176.600 0.008 0.000 1.046 391 E CA 0.416 56.816 56.400 -0.000 0.000 0.871 391 E CB -0.991 28.707 29.700 -0.004 0.000 0.806 391 E HN 0.229 nan 8.360 nan 0.000 0.533 392 N N 0.118 118.822 118.700 0.006 0.000 2.381 392 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 392 N C 0.264 175.783 175.510 0.015 0.000 1.025 392 N CA 0.215 53.273 53.050 0.014 0.000 0.888 392 N CB -0.034 38.457 38.487 0.007 0.000 0.965 392 N HN 0.102 nan 8.380 nan 0.000 0.438 393 V N 1.940 121.860 119.914 0.011 0.000 2.599 393 V HA 0.024 4.144 4.120 -0.000 0.000 0.300 393 V C 0.136 176.274 176.094 0.073 0.000 1.034 393 V CA -0.006 62.309 62.300 0.024 0.000 1.115 393 V CB 0.051 31.900 31.823 0.043 0.000 0.934 393 V HN 0.027 nan 8.190 nan 0.000 0.485 394 L N 5.700 126.996 121.223 0.122 0.000 2.365 394 L HA 0.529 4.869 4.340 -0.000 0.000 0.267 394 L C 0.122 177.123 176.870 0.219 0.000 1.033 394 L CA -0.981 53.940 54.840 0.136 0.000 0.802 394 L CB 1.285 43.404 42.059 0.099 0.000 1.267 394 L HN 0.506 nan 8.230 nan 0.000 0.457 395 Q N 1.913 121.771 119.800 0.098 0.000 2.392 395 Q HA 0.227 4.566 4.340 -0.000 0.000 0.262 395 Q C -2.224 173.811 176.000 0.057 0.000 1.003 395 Q CA -1.516 54.312 55.803 0.043 0.000 0.888 395 Q CB 0.498 29.242 28.738 0.011 0.000 1.260 395 Q HN 0.256 nan 8.270 nan 0.000 0.435 396 P HA 0.079 nan 4.420 nan 0.000 0.274 396 P C -0.423 176.952 177.300 0.124 0.000 1.237 396 P CA -0.162 62.937 63.100 -0.002 0.000 0.793 396 P CB 0.872 32.473 31.700 -0.164 0.000 0.977 397 T N -0.180 114.497 114.554 0.205 0.000 2.907 397 T HA 0.210 4.560 4.350 -0.000 0.000 0.292 397 T C -0.806 174.072 174.700 0.296 0.000 1.043 397 T CA -0.501 61.769 62.100 0.284 0.000 1.003 397 T CB 0.423 69.500 68.868 0.348 0.000 1.084 397 T HN 0.371 nan 8.240 nan 0.000 0.483 398 H N 5.244 124.468 119.070 0.257 0.000 2.742 398 H HA 0.263 4.819 4.556 -0.000 0.000 0.302 398 H C -1.690 173.838 175.328 0.333 0.000 1.069 398 H CA -1.869 54.343 56.048 0.272 0.000 1.446 398 H CB 1.878 31.827 29.762 0.312 0.000 1.462 398 H HN 0.413 nan 8.280 nan 0.000 0.499 399 P HA -0.111 nan 4.420 nan 0.000 0.226 399 P C 1.295 178.893 177.300 0.497 0.000 1.153 399 P CA 0.433 63.718 63.100 0.308 0.000 0.777 399 P CB 0.672 32.380 31.700 0.014 0.000 0.794 400 V N -1.548 118.706 119.914 0.568 0.000 2.426 400 V HA -0.117 4.003 4.120 -0.000 0.000 0.242 400 V C 2.132 178.458 176.094 0.387 0.000 1.036 400 V CA 1.612 64.090 62.300 0.295 0.000 1.044 400 V CB -1.130 30.664 31.823 -0.048 0.000 0.688 400 V HN -0.015 nan 8.190 nan 0.000 0.462 401 Y N -0.866 119.775 120.300 0.568 0.000 2.497 401 Y HA 0.284 4.834 4.550 -0.000 0.000 0.265 401 Y C 1.355 177.484 175.900 0.382 0.000 1.111 401 Y CA 0.128 58.483 58.100 0.425 0.000 1.288 401 Y CB 0.008 38.523 38.460 0.091 0.000 1.082 401 Y HN 0.337 nan 8.280 nan 0.000 0.536 402 N N 1.278 120.285 118.700 0.512 0.000 2.725 402 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 402 N C -0.764 174.658 175.510 -0.146 0.000 1.031 402 N CA 0.937 54.081 53.050 0.158 0.000 0.720 402 N CB -1.384 36.982 38.487 -0.202 0.000 0.930 402 N HN 0.638 nan 8.380 nan 0.000 0.543 403 I N -4.178 116.450 120.570 0.098 0.000 3.108 403 I HA 0.763 4.933 4.170 -0.000 0.000 0.312 403 I C 1.079 177.347 176.117 0.251 0.000 1.095 403 I CA -1.002 60.353 61.300 0.092 0.000 1.000 403 I CB 1.452 39.492 38.000 0.068 0.000 1.229 403 I HN 0.018 nan 8.210 nan 0.000 0.454 404 G N 2.175 111.121 108.800 0.242 0.000 2.321 404 G HA2 0.245 4.205 3.960 -0.000 0.000 0.237 404 G HA3 0.245 4.205 3.960 -0.000 0.000 0.237 404 G C -1.889 173.124 174.900 0.188 0.000 1.282 404 G CA -0.674 44.544 45.100 0.197 0.000 0.886 404 G HN 0.621 nan 8.290 nan 0.000 0.528 405 P HA -0.107 nan 4.420 nan 0.000 0.219 405 P C 1.504 178.896 177.300 0.154 0.000 1.146 405 P CA 1.384 64.642 63.100 0.263 0.000 0.808 405 P CB 0.193 32.030 31.700 0.228 0.000 0.779 406 D N -0.183 120.279 120.400 0.104 0.000 2.178 406 D HA -0.175 4.465 4.640 -0.000 0.000 0.202 406 D C 1.447 177.783 176.300 0.059 0.000 0.974 406 D CA 1.235 55.277 54.000 0.069 0.000 0.841 406 D CB -0.561 40.269 40.800 0.050 0.000 0.953 406 D HN 0.077 nan 8.370 nan 0.000 0.478 407 K N 0.655 121.092 120.400 0.061 0.000 2.103 407 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 407 K C 2.451 179.054 176.600 0.005 0.000 1.052 407 K CA 0.213 56.528 56.287 0.047 0.000 0.945 407 K CB -0.524 32.005 32.500 0.049 0.000 0.722 407 K HN 0.160 nan 8.250 nan 0.000 0.443 408 V N 2.166 122.057 119.914 -0.039 0.000 2.233 408 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 408 V C 2.399 178.438 176.094 -0.091 0.000 1.050 408 V CA 1.647 63.841 62.300 -0.176 0.000 1.010 408 V CB -0.435 31.232 31.823 -0.260 0.000 0.637 408 V HN 0.170 nan 8.190 nan 0.000 0.444 409 I N -0.366 120.202 120.570 -0.004 0.000 2.127 409 I HA -0.364 3.806 4.170 -0.000 0.000 0.241 409 I C 2.692 178.814 176.117 0.008 0.000 1.075 409 I CA 2.204 63.515 61.300 0.018 0.000 1.334 409 I CB -0.525 37.505 38.000 0.049 0.000 1.040 409 I HN 0.402 nan 8.210 nan 0.000 0.405 410 Q N 0.900 120.716 119.800 0.026 0.000 2.061 410 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 410 Q C 2.311 178.306 176.000 -0.008 0.000 0.984 410 Q CA 2.185 58.013 55.803 0.041 0.000 0.846 410 Q CB -0.110 28.683 28.738 0.091 0.000 0.902 410 Q HN 0.567 nan 8.270 nan 0.000 0.421 411 A N 0.261 123.077 122.820 -0.008 0.000 1.873 411 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 411 A C 2.292 179.843 177.584 -0.055 0.000 1.186 411 A CA 2.153 54.113 52.037 -0.129 0.000 0.616 411 A CB -1.286 17.748 19.000 0.058 0.000 0.823 411 A HN 0.686 nan 8.150 nan 0.000 0.442 412 T N -2.975 111.564 114.554 -0.025 0.000 2.746 412 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 412 T C 1.832 176.530 174.700 -0.003 0.000 1.039 412 T CA 2.201 64.307 62.100 0.009 0.000 1.142 412 T CB -1.196 67.660 68.868 -0.021 0.000 0.866 412 T HN 0.315 nan 8.240 nan 0.000 0.444 413 T N 0.888 115.424 114.554 -0.030 0.000 2.684 413 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 413 T C 1.697 176.336 174.700 -0.101 0.000 1.036 413 T CA 1.941 64.015 62.100 -0.044 0.000 1.148 413 T CB -0.677 68.176 68.868 -0.025 0.000 0.863 413 T HN 0.795 nan 8.240 nan 0.000 0.436 414 H N 0.211 119.104 119.070 -0.294 0.000 2.290 414 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 414 H C 1.788 176.836 175.328 -0.468 0.000 1.087 414 H CA 1.751 57.511 56.048 -0.480 0.000 1.291 414 H CB -0.520 28.678 29.762 -0.938 0.000 1.369 414 H HN 0.427 nan 8.280 nan 0.000 0.492 415 F N -0.171 119.638 119.950 -0.234 0.000 2.407 415 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 415 F C 2.097 177.782 175.800 -0.192 0.000 1.097 415 F CA 0.306 58.177 58.000 -0.215 0.000 1.422 415 F CB 0.004 38.932 39.000 -0.120 0.000 1.067 415 F HN 0.141 nan 8.300 nan 0.000 0.539 416 L N -0.265 120.947 121.223 -0.019 0.000 2.456 416 L HA -0.186 4.154 4.340 -0.000 0.000 0.224 416 L C 1.927 178.740 176.870 -0.095 0.000 1.148 416 L CA 0.920 55.735 54.840 -0.041 0.000 0.825 416 L CB -0.499 41.543 42.059 -0.029 0.000 0.937 416 L HN 0.238 nan 8.230 nan 0.000 0.450 417 Q N -0.400 119.296 119.800 -0.173 0.000 2.378 417 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 417 Q C 0.145 176.044 176.000 -0.169 0.000 0.954 417 Q CA 0.636 56.327 55.803 -0.186 0.000 0.901 417 Q CB 0.254 28.829 28.738 -0.271 0.000 0.981 417 Q HN 0.293 nan 8.270 nan 0.000 0.483 418 K N 1.710 122.019 120.400 -0.152 0.000 2.110 418 K HA 0.363 4.683 4.320 -0.000 0.000 0.263 418 K C -2.468 174.052 176.600 -0.133 0.000 0.975 418 K CA -2.049 54.166 56.287 -0.121 0.000 0.895 418 K CB 0.842 33.315 32.500 -0.045 0.000 1.060 418 K HN -0.110 nan 8.250 nan 0.000 0.448 419 P HA 0.115 nan 4.420 nan 0.000 0.278 419 P C -0.120 177.063 177.300 -0.195 0.000 1.238 419 P CA -0.552 62.369 63.100 -0.299 0.000 0.794 419 P CB 0.623 31.910 31.700 -0.688 0.000 0.955 420 V N 4.651 124.489 119.914 -0.126 0.000 2.584 420 V HA -0.034 4.086 4.120 -0.000 0.000 0.303 420 V C -1.781 174.302 176.094 -0.018 0.000 1.035 420 V CA -0.527 61.747 62.300 -0.043 0.000 1.172 420 V CB -0.898 30.925 31.823 -0.000 0.000 0.896 420 V HN 0.591 nan 8.190 nan 0.000 0.486 421 P HA 0.159 nan 4.420 nan 0.000 0.262 421 P C 0.993 178.387 177.300 0.156 0.000 1.182 421 P CA 1.542 64.697 63.100 0.092 0.000 0.761 421 P CB 0.432 32.180 31.700 0.080 0.000 0.795 422 G N 1.799 110.755 108.800 0.259 0.000 2.217 422 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 422 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 422 G C 0.331 175.481 174.900 0.417 0.000 0.990 422 G CA -0.160 45.090 45.100 0.250 0.000 0.627 422 G HN 0.553 nan 8.290 nan 0.000 0.522 423 F N 0.000 119.962 119.950 0.021 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.011 58.000 0.018 0.000 1.383 423 F CB 0.000 39.007 39.000 0.012 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574